#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 3.90 0.27 -0.41 0.04 -1.26 -5.07 135.00 132.47 1ot4 s PRO 2 Ca 0.00 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.50 1ot4 s PRO 2 Cb 0.00 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1ot4 s PRO 2 CO 0.00 -0.35 -0.05 -1.59 0.04 0.00 0.00 177.00 175.05 1ot4 s LYS 3 N -3.04 1.52 1.14 4.56 -2.85 -1.26 -4.88 119.74 114.93 1ot4 s LYS 3 Ca 0.65 -1.77 -0.16 0.00 -1.00 0.00 0.00 55.97 53.69 1ot4 s LYS 3 Cb -0.18 -1.07 0.17 0.00 -2.06 0.00 0.00 37.83 34.69 1ot4 s LYS 3 CO 0.22 0.02 0.39 1.47 0.10 0.00 0.00 175.35 177.54 1ot4 n LEU 4 N -0.56 -1.97 0.00 2.77 -0.00 -1.26 -4.96 117.00 111.02 1ot4 n LEU 4 Ca -0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1ot4 n LEU 4 Cb 0.63 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1ot4 n LEU 4 CO 0.39 -3.19 0.16 0.52 -0.00 0.00 0.00 177.39 175.28 1ot4 n VAL 5 N -4.63 0.00 -3.89 1.47 0.31 -1.26 -4.93 118.33 105.41 1ot4 n VAL 5 Ca 0.02 0.83 -0.11 0.00 -0.01 0.00 0.00 64.34 65.06 1ot4 n VAL 5 Cb 0.59 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.59 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 -2.03 0.05 0.19 4.52 0.01 -1.17 -5.06 113.70 110.21 1ot4 s SER 6 Ca 0.00 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.91 1ot4 s SER 6 Cb 0.00 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.44 1ot4 s SER 6 CO 0.00 -0.25 0.54 -0.94 0.41 0.00 0.00 173.24 173.00 1ot4 s SER 7 N -0.97 -0.31 -0.40 2.44 1.04 -1.26 0.59 113.70 114.83 1ot4 s SER 7 Ca -0.11 -0.39 0.11 0.00 0.48 0.00 0.00 55.95 56.04 1ot4 s SER 7 Cb -0.06 0.58 0.36 0.00 0.10 0.00 0.00 66.02 67.00 1ot4 s SER 7 CO 0.00 -1.04 0.78 0.41 0.98 0.00 0.00 173.24 174.37 1ot4 n THR 8 N -0.35 0.42 0.09 2.02 -1.04 0.17 -4.92 114.28 110.67 1ot4 n THR 8 Ca -0.11 -4.66 -0.06 0.00 -2.04 0.00 0.00 64.05 57.17 1ot4 n THR 8 Cb 0.63 -0.40 -0.03 0.00 -1.82 0.00 0.00 70.33 68.71 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 2.99 -0.31 0.00 -2.82 0.13 -1.85 -1.30 132.00 128.85 1ot4 h PRO 9 Ca 0.10 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ot4 h PRO 9 Cb 0.91 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ot4 h PRO 9 CO 0.55 -0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.17 1ot4 n ALA 10 N -2.74 0.00 -1.44 -0.56 0.00 -1.26 -4.52 120.51 110.00 1ot4 n ALA 10 Ca -0.05 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.93 1ot4 n ALA 10 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.49 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 0.37 -3.76 0.00 1.02 -1.26 -0.11 120.64 116.90 1ot4 n GLU 11 Ca 0.00 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.92 1ot4 n GLU 11 Cb 0.00 -1.98 -0.04 0.00 -0.02 0.00 0.00 31.44 29.40 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 6.67 -0.45 3.56 0.62 0.00 0.14 -4.76 105.19 110.97 1ot4 n GLY 12 Ca 0.54 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.83 5.31 -0.22 1.61 0.01 0.85 -4.74 113.70 113.69 1ot4 s SER 13 Ca 0.53 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 1ot4 s SER 13 Cb -0.30 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 1ot4 s SER 13 CO 0.65 -2.50 0.07 -1.61 0.41 0.00 0.00 173.24 170.26 1ot4 s GLU 14 N 6.84 3.83 0.00 12.44 2.02 -1.26 -0.23 118.70 142.35 1ot4 s GLU 14 Ca 0.66 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1ot4 s GLU 14 Cb -0.08 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1ot4 s GLU 14 CO 0.07 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1ot4 n GLY 15 N 4.23 2.79 3.68 -1.39 0.00 -1.22 -4.95 105.19 108.33 1ot4 n GLY 15 Ca -0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.83 0.07 4.61 0.00 -1.24 -0.42 121.76 122.95 1ot4 s ALA 16 Ca 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.17 1ot4 s ALA 16 Cb 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1ot4 s ALA 16 CO 0.00 -0.98 0.71 0.00 0.00 0.00 0.00 175.76 175.49 1ot4 s ALA 17 N -3.02 3.45 1.00 0.00 0.00 -1.26 -4.66 121.76 117.27 1ot4 s ALA 17 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1ot4 s ALA 17 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1ot4 s ALA 17 CO -0.01 0.19 0.00 -0.35 0.00 0.00 0.00 175.76 175.59 1ot4 n PRO 18 N 2.31 -0.20 -0.09 0.00 -0.04 -1.26 -5.03 135.00 130.70 1ot4 n PRO 18 Ca -0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.25 1ot4 n PRO 18 Cb 0.50 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 1ot4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 h ALA 19 N -2.00 0.14 -2.68 0.55 0.00 -1.97 -3.48 119.26 109.82 1ot4 h ALA 19 Ca 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 1ot4 h ALA 19 Cb 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 18.09 1ot4 h ALA 19 CO 0.00 0.43 -0.01 -1.59 0.00 0.00 0.00 179.25 178.07 1ot4 s LYS 20 N -2.24 1.06 0.08 0.00 0.00 -1.26 -4.74 119.74 112.63 1ot4 s LYS 20 Ca -0.22 -0.48 -0.25 0.00 0.00 0.00 0.00 55.97 55.02 1ot4 s LYS 20 Cb 0.02 0.47 -0.06 0.00 0.00 0.00 0.00 37.83 38.27 1ot4 s LYS 20 CO 0.52 -0.40 0.75 0.42 0.00 0.00 0.00 175.35 176.64 1ot4 s ILE 21 N -3.18 4.63 0.04 3.79 1.09 0.81 -4.85 121.20 123.54 1ot4 s ILE 21 Ca -0.01 1.62 0.03 0.00 -1.10 0.00 0.00 60.65 61.19 1ot4 s ILE 21 Cb 0.00 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1ot4 s ILE 21 CO -0.08 0.42 -0.01 -0.70 -0.10 0.00 0.00 174.94 174.48 1ot4 s GLU 22 N -0.44 2.65 -0.05 2.79 2.12 -0.49 -0.05 118.70 125.23 1ot4 s GLU 22 Ca 0.37 -0.73 -0.10 0.00 0.36 0.00 0.00 54.97 54.88 1ot4 s GLU 22 Cb -0.21 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.60 1ot4 s GLU 22 CO 0.23 0.58 0.24 -0.51 -0.54 0.00 0.00 175.26 175.26 1ot4 s LEU 23 N -1.90 1.12 0.01 2.70 1.43 0.15 0.42 118.68 122.61 1ot4 s LEU 23 Ca 0.22 0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1ot4 s LEU 23 Cb -0.12 0.90 -0.01 0.00 0.03 0.00 0.00 46.19 47.00 1ot4 s LEU 23 CO 0.14 -0.23 -0.00 -1.00 0.23 0.00 0.00 176.35 175.49 1ot4 s HIS 24 N -0.53 0.09 -0.11 0.29 3.76 0.20 -0.87 115.29 118.11 1ot4 s HIS 24 Ca -0.06 -0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 54.60 1ot4 s HIS 24 Cb -0.04 -0.07 0.05 0.00 1.11 0.00 0.00 32.58 33.63 1ot4 s HIS 24 CO 0.01 -0.08 0.27 -0.06 -0.85 0.00 0.00 174.74 174.04 1ot4 s PHE 25 N -0.56 -0.37 -1.24 1.40 0.40 0.21 -3.03 117.98 114.79 1ot4 s PHE 25 Ca -0.06 0.86 0.15 0.00 -0.60 0.00 0.00 56.93 57.28 1ot4 s PHE 25 Cb -0.04 0.08 0.69 0.00 0.51 0.00 0.00 43.02 44.27 1ot4 s PHE 25 CO -0.00 -0.25 1.44 -1.13 0.70 0.00 0.00 175.22 175.97 1ot4 n SER 26 N 4.23 0.00 0.00 1.36 3.41 -1.26 -4.42 113.62 116.94 1ot4 n SER 26 Ca -0.25 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1ot4 n SER 26 Cb 0.53 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ot4 n GLU 27 N -1.38 0.00 -0.06 4.33 1.02 -1.26 -5.06 120.64 118.23 1ot4 n GLU 27 Ca 0.05 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.98 1ot4 n GLU 27 Cb 0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.43 1ot4 n GLU 27 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ot4 n ASN 28 N 0.00 2.03 -3.24 1.62 6.94 -1.26 -4.86 115.26 116.48 1ot4 n ASN 28 Ca 0.00 0.19 -0.25 0.00 -0.02 0.00 0.00 54.58 54.50 1ot4 n ASN 28 Cb 0.00 -0.79 0.02 0.00 -2.36 0.00 0.00 39.78 36.66 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1ot4 n LEU 29 N -3.70 -2.64 0.00 -4.53 7.94 -1.26 -4.11 117.00 108.70 1ot4 n LEU 29 Ca -0.37 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.55 1ot4 n LEU 29 Cb 0.95 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1ot4 n LEU 29 CO 0.31 -0.43 0.00 0.52 -1.11 0.00 0.00 177.39 176.68 1ot4 n VAL 30 N 0.30 0.00 -3.51 1.96 0.31 -1.26 -4.55 118.33 111.57 1ot4 n VAL 30 Ca -0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.04 1ot4 n VAL 30 Cb 0.59 -0.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.00 -0.37 -2.69 2.52 5.66 -1.26 -4.73 114.28 113.41 1ot4 n THR 31 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1ot4 n THR 31 Cb 0.00 -0.85 0.11 0.00 -1.55 0.00 0.00 70.33 68.04 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 -3.48 1.23 -3.89 1.09 -0.06 -1.26 -5.01 117.38 106.00 1ot4 n GLN 32 Ca 0.03 -1.85 -0.38 0.00 -2.00 0.00 0.00 57.00 52.81 1ot4 n GLN 32 Cb 0.50 -0.07 0.03 0.00 -4.06 0.00 0.00 30.24 26.63 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 -0.72 -1.65 -4.27 3.69 3.72 -1.26 -4.89 117.46 112.09 1ot4 n PHE 33 Ca -0.04 0.29 -0.25 0.00 -0.05 0.00 0.00 57.45 57.40 1ot4 n PHE 33 Cb 0.85 -3.14 -0.08 0.00 -0.94 0.00 0.00 39.48 36.17 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 -3.56 4.28 0.00 4.37 0.15 -1.26 -5.01 113.70 112.67 1ot4 s SER 34 Ca 0.45 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1ot4 s SER 34 Cb -0.20 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1ot4 s SER 34 CO 0.92 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1ot4 n GLY 35 N -1.10 -0.34 3.24 9.45 0.00 -0.55 -5.00 105.19 110.90 1ot4 n GLY 35 Ca -0.03 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 0.98 -0.22 4.61 0.00 -1.26 0.38 121.76 125.25 1ot4 s ALA 36 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.25 1ot4 s ALA 36 Cb 0.00 1.32 0.07 0.00 0.00 0.00 0.00 23.12 24.51 1ot4 s ALA 36 CO 0.00 -0.62 0.54 0.15 0.00 0.00 0.00 175.76 175.83 1ot4 s LYS 37 N -4.14 0.54 -0.07 0.00 -0.14 0.14 -4.93 119.74 111.13 1ot4 s LYS 37 Ca 0.36 0.98 -0.16 0.00 -1.36 0.00 0.00 55.97 55.79 1ot4 s LYS 37 Cb 0.06 0.06 -0.05 0.00 -1.68 0.00 0.00 37.83 36.22 1ot4 s LYS 37 CO 0.11 -0.15 0.42 -1.17 -0.76 0.00 0.00 175.35 173.80 1ot4 s LEU 38 N 1.46 4.36 -0.03 3.17 2.96 -1.26 -1.14 118.68 128.19 1ot4 s LEU 38 Ca -0.09 0.84 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 1ot4 s LEU 38 Cb -0.07 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 44.02 1ot4 s LEU 38 CO -0.15 0.15 -0.10 0.68 -1.32 0.00 0.00 176.35 175.61 1ot4 s VAL 39 N -0.11 0.88 -0.84 1.68 -7.23 -1.10 -1.09 120.40 112.58 1ot4 s VAL 39 Ca 0.24 -0.40 -0.21 0.00 -1.81 0.00 0.00 61.98 59.79 1ot4 s VAL 39 Cb -0.16 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 36.10 1ot4 s VAL 39 CO 0.11 0.27 1.13 -0.32 -0.31 0.00 0.00 175.10 175.98 1ot4 s MET 40 N 0.22 3.41 -0.62 4.82 1.75 0.42 -1.43 119.30 127.88 1ot4 s MET 40 Ca -0.04 -1.26 0.04 0.00 -1.25 0.00 0.00 55.69 53.18 1ot4 s MET 40 Cb -0.09 -4.71 0.34 0.00 2.84 0.00 0.00 34.83 33.21 1ot4 s MET 40 CO 0.01 -1.87 1.06 -2.37 -0.65 0.00 0.00 175.02 171.19 1ot4 n THR 41 N 5.90 3.35 0.24 10.11 5.66 -1.14 -3.05 114.28 135.36 1ot4 n THR 41 Ca 0.15 -5.58 -0.10 0.00 -3.05 0.00 0.00 64.05 55.46 1ot4 n THR 41 Cb 0.48 -1.41 -0.05 0.00 -1.55 0.00 0.00 70.33 67.80 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 3.08 -0.67 -4.14 1.79 0.00 -0.72 -3.43 119.26 115.16 1ot4 h ALA 42 Ca 0.18 -0.15 -0.69 0.00 0.00 0.00 0.00 54.91 54.25 1ot4 h ALA 42 Cb 0.50 0.26 -0.24 0.00 0.00 0.00 0.00 17.79 18.31 1ot4 h ALA 42 CO 0.86 -0.62 -0.81 -1.64 0.00 0.00 0.00 179.25 177.03 1ot4 s MET 43 N -3.75 2.22 -1.11 0.00 -1.94 -1.26 -4.86 119.30 108.60 1ot4 s MET 43 Ca -0.10 -0.87 -0.17 0.00 -1.71 0.00 0.00 55.69 52.83 1ot4 s MET 43 Cb 0.01 -2.21 -0.06 0.00 2.01 0.00 0.00 34.83 34.57 1ot4 s MET 43 CO 0.30 0.57 2.10 -0.35 -0.01 0.00 0.00 175.02 177.64 1ot4 n PRO 44 N 2.02 2.20 -0.07 2.03 -0.04 -1.26 -4.73 135.00 135.15 1ot4 n PRO 44 Ca -0.16 -2.17 -0.02 0.00 -0.04 0.00 0.00 63.50 61.10 1ot4 n PRO 44 Cb 0.52 -3.06 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 1ot4 n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ot4 h GLY 45 N 11.64 -2.25 -7.45 0.55 0.00 -1.95 -3.29 103.07 100.32 1ot4 h GLY 45 Ca 0.51 1.04 -0.67 0.00 0.00 0.00 0.00 47.33 48.22 1ot4 h GLY 45 CO 1.90 -0.80 -0.50 1.06 0.00 0.00 0.00 176.54 178.21 1ot4 s MET 46 N -3.47 2.27 -0.66 4.80 -1.94 -1.26 -4.87 119.30 114.17 1ot4 s MET 46 Ca -0.02 -2.63 -0.11 0.00 -1.71 0.00 0.00 55.69 51.22 1ot4 s MET 46 Cb 0.02 -3.51 0.02 0.00 2.01 0.00 0.00 34.83 33.36 1ot4 s MET 46 CO 0.12 -1.14 0.57 0.39 -0.01 0.00 0.00 175.02 174.94 1ot4 n GLU 47 N 3.21 -1.53 -2.95 2.03 4.71 -1.24 -3.35 120.64 121.53 1ot4 n GLU 47 Ca 0.07 0.87 -0.10 0.00 -0.01 0.00 0.00 57.16 57.99 1ot4 n GLU 47 Cb 0.35 -1.97 0.01 0.00 -1.01 0.00 0.00 31.44 28.82 1ot4 n GLU 47 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1ot4 n HIS 48 N -1.78 -3.18 -3.83 -0.32 8.25 -1.26 -4.99 115.22 108.12 1ot4 n HIS 48 Ca -0.24 1.34 -0.30 0.00 -0.26 0.00 0.00 57.72 58.26 1ot4 n HIS 48 Cb 0.64 -3.41 -0.14 0.00 1.12 0.00 0.00 29.99 28.21 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ot4 s SER 49 N -1.98 4.06 0.36 0.41 0.15 -1.21 -5.01 113.70 110.48 1ot4 s SER 49 Ca 0.17 -2.53 -0.26 0.00 0.70 0.00 0.00 55.95 54.03 1ot4 s SER 49 Cb -0.04 -1.28 -0.09 0.00 -1.71 0.00 0.00 66.02 62.90 1ot4 s SER 49 CO 0.71 -0.29 1.07 -2.16 1.20 0.00 0.00 173.24 173.77 1ot4 s PRO 50 N 0.42 4.31 -0.14 5.44 0.04 -1.26 -4.67 135.00 139.14 1ot4 s PRO 50 Ca 0.15 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.81 1ot4 s PRO 50 Cb -0.23 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1ot4 s PRO 50 CO -0.04 -0.03 -0.18 -1.64 0.04 0.00 0.00 177.00 175.15 1ot4 s MET 51 N -2.15 3.16 0.38 4.56 -1.94 -1.17 -4.94 119.30 117.19 1ot4 s MET 51 Ca 0.53 -0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 53.47 1ot4 s MET 51 Cb -0.25 -2.54 -0.09 0.00 2.01 0.00 0.00 34.83 33.96 1ot4 s MET 51 CO 0.32 0.04 1.16 0.00 -0.01 0.00 0.00 175.02 176.53 1ot4 s ALA 52 N 0.72 3.21 0.40 3.03 0.00 -1.26 0.16 121.76 128.03 1ot4 s ALA 52 Ca -0.08 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.92 1ot4 s ALA 52 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1ot4 s ALA 52 CO 0.01 -0.46 0.35 0.54 0.00 0.00 0.00 175.76 176.20 1ot4 s VAL 53 N -1.38 2.75 -0.67 0.00 0.11 -0.25 -4.81 120.40 116.16 1ot4 s VAL 53 Ca 0.55 -1.37 -0.17 0.00 -2.93 0.00 0.00 61.98 58.05 1ot4 s VAL 53 Cb -0.31 -3.02 0.14 0.00 -1.53 0.00 0.00 36.38 31.67 1ot4 s VAL 53 CO 0.39 -0.03 0.70 -0.75 -3.33 0.00 0.00 175.10 172.08 1ot4 s LYS 54 N -4.09 3.22 0.30 1.54 2.20 -1.26 -4.81 119.74 116.84 1ot4 s LYS 54 Ca 0.47 -1.77 0.03 0.00 -0.36 0.00 0.00 55.97 54.34 1ot4 s LYS 54 Cb -0.03 -4.38 -0.04 0.00 -1.51 0.00 0.00 37.83 31.87 1ot4 s LYS 54 CO 0.27 -1.44 0.16 0.00 -0.36 0.00 0.00 175.35 173.99 1ot4 s ALA 55 N 1.71 1.91 0.03 3.13 0.00 -1.26 -2.73 121.76 124.55 1ot4 s ALA 55 Ca 0.12 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.33 1ot4 s ALA 55 Cb -0.21 1.17 -0.02 0.00 0.00 0.00 0.00 23.12 24.07 1ot4 s ALA 55 CO -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 175.76 175.19 1ot4 s ALA 56 N -3.63 0.39 -0.20 0.00 0.00 -0.87 -4.86 121.76 112.60 1ot4 s ALA 56 Ca 0.36 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 1ot4 s ALA 56 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1ot4 s ALA 56 CO 0.18 -0.03 0.00 0.14 0.00 0.00 0.00 175.76 176.05 1ot4 s VAL 57 N -1.07 3.98 -0.02 0.00 -7.23 -1.26 -0.66 120.40 114.14 1ot4 s VAL 57 Ca -0.09 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1ot4 s VAL 57 Cb -0.08 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.08 1ot4 s VAL 57 CO -0.00 0.43 0.00 -0.44 -0.31 0.00 0.00 175.10 174.78 1ot4 s SER 58 N 1.00 0.31 0.63 4.85 0.01 0.46 -4.98 113.70 115.97 1ot4 s SER 58 Ca 0.02 -0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.12 1ot4 s SER 58 Cb -0.14 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 1ot4 s SER 58 CO 0.02 -0.07 1.05 -0.83 0.41 0.00 0.00 173.24 173.82 1ot4 s GLY 59 N 0.76 1.95 -0.30 3.44 0.00 -1.26 0.31 107.32 112.22 1ot4 s GLY 59 Ca -0.07 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 1ot4 s GLY 59 CO -0.02 0.57 2.79 0.61 0.00 0.00 0.00 173.10 177.06 1ot4 n GLY 60 N -1.40 3.90 0.00 0.20 0.00 -0.84 -4.76 105.19 102.29 1ot4 n GLY 60 Ca 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 1.18 2.61 3.93 -0.02 0.00 -1.26 -4.95 105.19 106.68 1ot4 n GLY 61 Ca 0.42 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 6.37 0.00 1.61 1.01 -1.26 -4.97 116.67 119.42 1ot4 s ASP 62 Ca 0.00 0.32 0.24 0.00 0.71 0.00 0.00 52.55 53.82 1ot4 s ASP 62 Cb 0.00 -1.98 1.42 0.00 1.01 0.00 0.00 42.92 43.38 1ot4 s ASP 62 CO 0.00 -0.01 1.79 -0.81 0.21 0.00 0.00 175.17 176.35 1ot4 n PRO 63 N -0.61 0.74 0.08 8.23 -0.04 -1.26 -2.32 135.00 139.82 1ot4 n PRO 63 Ca -0.05 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1ot4 n PRO 63 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -5.56 0.54 2.10 -1.93 -3.40 116.57 108.31 1ot4 h LYS 64 Ca 0.00 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.98 1ot4 h LYS 64 Cb 0.00 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.07 1ot4 h LYS 64 CO 0.00 0.43 -0.77 0.99 -2.00 0.00 0.00 179.45 178.10 1ot4 s THR 65 N -2.92 3.00 0.06 0.07 2.01 -0.98 -0.62 115.64 116.26 1ot4 s THR 65 Ca 0.00 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.38 1ot4 s THR 65 Cb 0.08 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1ot4 s THR 65 CO 0.78 0.54 -0.16 -0.04 -0.69 0.00 0.00 174.62 175.06 1ot4 s MET 66 N 0.09 2.09 -0.13 4.92 -1.94 -0.05 -1.98 119.30 122.29 1ot4 s MET 66 Ca -0.06 -0.99 -0.04 0.00 -1.71 0.00 0.00 55.69 52.89 1ot4 s MET 66 Cb -0.15 -2.23 0.05 0.00 2.01 0.00 0.00 34.83 34.52 1ot4 s MET 66 CO 0.05 0.53 0.09 0.08 -0.01 0.00 0.00 175.02 175.76 1ot4 s VAL 67 N -1.00 -0.11 -0.22 -6.03 1.01 0.15 0.33 120.40 114.53 1ot4 s VAL 67 Ca 0.16 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1ot4 s VAL 67 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1ot4 s VAL 67 CO 0.07 -0.13 0.60 -0.63 0.00 0.00 0.00 175.10 175.01 1ot4 s ILE 68 N 2.16 5.03 -0.25 2.22 1.09 0.93 -0.40 121.20 131.97 1ot4 s ILE 68 Ca 0.03 1.10 0.01 0.00 -1.10 0.00 0.00 60.65 60.68 1ot4 s ILE 68 Cb -0.15 -3.91 0.07 0.00 -1.06 0.00 0.00 42.46 37.41 1ot4 s ILE 68 CO -0.07 0.09 -0.02 -0.89 -0.10 0.00 0.00 174.94 173.95 1ot4 s THR 69 N 2.12 1.44 0.19 2.92 2.01 0.17 -0.13 115.64 124.36 1ot4 s THR 69 Ca 0.26 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 1ot4 s THR 69 Cb -0.16 -1.80 -0.08 0.00 0.01 0.00 0.00 72.50 70.47 1ot4 s THR 69 CO 0.09 -0.23 1.11 -2.16 -0.69 0.00 0.00 174.62 172.75 1ot4 s PRO 70 N 1.41 4.59 0.21 4.92 0.04 -1.26 -2.04 135.00 142.87 1ot4 s PRO 70 Ca -0.02 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1ot4 s PRO 70 Cb -0.19 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.27 1ot4 s PRO 70 CO -0.09 0.08 1.54 0.00 0.04 0.00 0.00 177.00 178.57 1ot4 h ALA 71 N 4.95 0.78 -2.65 8.56 0.00 -1.84 -3.44 119.26 125.61 1ot4 h ALA 71 Ca -0.45 -0.49 -0.57 0.00 0.00 0.00 0.00 54.91 53.40 1ot4 h ALA 71 Cb 1.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1ot4 h ALA 71 CO 0.72 0.68 -0.24 0.45 0.00 0.00 0.00 179.25 180.85 1ot4 s SER 72 N -6.90 6.55 0.08 0.00 0.15 -1.23 -5.05 113.70 107.29 1ot4 s SER 72 Ca -0.07 0.72 -0.30 0.00 0.70 0.00 0.00 55.95 57.00 1ot4 s SER 72 Cb 0.12 -2.14 -0.06 0.00 -1.71 0.00 0.00 66.02 62.23 1ot4 s SER 72 CO 0.83 0.03 1.16 -2.16 1.20 0.00 0.00 173.24 174.29 1ot4 s PRO 73 N -2.61 4.47 -0.24 5.44 0.04 -1.26 -4.98 135.00 135.86 1ot4 s PRO 73 Ca 0.42 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 1ot4 s PRO 73 Cb -0.12 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 1ot4 s PRO 73 CO 0.23 -0.18 1.28 -0.51 0.04 0.00 0.00 177.00 177.86 1ot4 s LEU 74 N 0.79 4.01 0.35 -3.56 1.43 -1.26 -5.01 118.68 115.43 1ot4 s LEU 74 Ca 0.56 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 1ot4 s LEU 74 Cb -0.29 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 1ot4 s LEU 74 CO 0.30 -0.93 0.52 0.42 0.23 0.00 0.00 176.35 176.89 1ot4 s THR 75 N 3.97 4.52 0.84 5.49 -4.23 -1.26 -4.71 115.64 120.26 1ot4 s THR 75 Ca 0.55 -0.75 -0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1ot4 s THR 75 Cb -0.19 -3.62 -0.14 0.00 1.34 0.00 0.00 72.50 69.90 1ot4 s THR 75 CO 0.19 -0.33 -0.48 0.00 -0.54 0.00 0.00 174.62 173.47 1ot4 n ALA 76 N -1.74 -4.44 0.00 3.99 0.00 -1.26 -4.78 120.51 112.28 1ot4 n ALA 76 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1ot4 n ALA 76 Cb 0.57 -1.29 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 3.01 0.59 3.11 0.00 0.00 0.11 -4.91 105.19 107.09 1ot4 n GLY 77 Ca 0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.82 -0.03 0.30 2.61 2.01 -1.26 0.08 115.64 116.53 1ot4 s THR 78 Ca 0.00 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1ot4 s THR 78 Cb 0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1ot4 s THR 78 CO 0.00 0.04 0.19 -0.31 -0.69 0.00 0.00 174.62 173.85 1ot4 s TYR 79 N 1.01 1.58 -0.14 4.92 1.51 -0.59 0.05 117.35 125.68 1ot4 s TYR 79 Ca -0.07 -1.46 -0.04 0.00 -1.01 0.00 0.00 57.07 54.49 1ot4 s TYR 79 Cb -0.08 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.07 1ot4 s TYR 79 CO -0.07 -0.64 0.20 0.21 -1.11 0.00 0.00 175.55 174.13 1ot4 s LYS 80 N -3.76 0.11 -0.43 -0.62 2.20 -0.51 -1.15 119.74 115.58 1ot4 s LYS 80 Ca 0.37 0.42 -0.25 0.00 -0.36 0.00 0.00 55.97 56.15 1ot4 s LYS 80 Cb 0.04 -0.69 0.02 0.00 -1.51 0.00 0.00 37.83 35.70 1ot4 s LYS 80 CO 0.20 -0.46 0.92 0.08 -0.36 0.00 0.00 175.35 175.73 1ot4 s VAL 81 N 2.32 4.51 -0.37 4.02 1.01 0.55 -2.71 120.40 129.74 1ot4 s VAL 81 Ca 0.04 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 1ot4 s VAL 81 Cb -0.14 -4.40 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 1ot4 s VAL 81 CO -0.09 -0.73 0.40 -1.81 0.00 0.00 0.00 175.10 172.88 1ot4 s ASP 82 N 2.14 6.20 0.22 3.32 1.11 -0.30 0.38 116.67 129.74 1ot4 s ASP 82 Ca 0.37 -0.35 0.08 0.00 0.18 0.00 0.00 52.55 52.83 1ot4 s ASP 82 Cb -0.11 -2.21 -0.04 0.00 1.07 0.00 0.00 42.92 41.63 1ot4 s ASP 82 CO 0.24 -0.43 0.05 -1.66 1.18 0.00 0.00 175.17 174.54 1ot4 s TRP 83 N 2.10 2.87 -0.20 4.23 1.48 0.36 0.25 118.94 130.03 1ot4 s TRP 83 Ca 0.13 -0.15 -0.04 0.00 -1.06 0.00 0.00 56.10 54.97 1ot4 s TRP 83 Cb -0.17 -1.33 0.10 0.00 -1.16 0.00 0.00 33.47 30.91 1ot4 s TRP 83 CO 0.12 0.55 0.34 1.03 -4.06 0.00 0.00 176.95 174.93 1ot4 s ARG 84 N -3.37 0.27 0.20 3.25 3.00 0.16 0.97 118.95 123.43 1ot4 s ARG 84 Ca 0.30 0.67 0.05 0.00 0.00 0.00 0.00 55.73 56.75 1ot4 s ARG 84 Cb -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 34.95 34.57 1ot4 s ARG 84 CO 0.21 -0.45 0.21 0.00 0.00 0.00 0.00 175.30 175.27 1ot4 s ALA 85 N 2.50 3.69 -0.21 2.13 0.00 0.14 -1.49 121.76 128.53 1ot4 s ALA 85 Ca 0.05 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1ot4 s ALA 85 Cb -0.14 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.58 1ot4 s ALA 85 CO -0.13 0.39 0.05 0.54 0.00 0.00 0.00 175.76 176.61 1ot4 s VAL 86 N -1.91 0.49 -0.85 0.00 0.11 -1.26 -1.08 120.40 115.90 1ot4 s VAL 86 Ca 0.33 -0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 58.60 1ot4 s VAL 86 Cb -0.09 -1.06 0.20 0.00 -1.53 0.00 0.00 36.38 33.90 1ot4 s VAL 86 CO 0.26 -0.28 0.84 -0.55 -3.33 0.00 0.00 175.10 172.03 1ot4 s SER 87 N 1.87 6.74 0.55 3.54 0.15 -1.26 -4.43 113.70 120.86 1ot4 s SER 87 Ca 0.01 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.09 1ot4 s SER 87 Cb -0.17 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ot4 s SER 87 CO -0.11 -0.67 0.00 -1.20 1.20 0.00 0.00 173.24 172.46 1ot4 n SER 88 N 4.48 -7.25 -4.56 5.45 7.64 -1.26 -4.44 113.62 113.67 1ot4 n SER 88 Ca 0.16 1.27 -0.40 0.00 1.01 0.00 0.00 58.87 60.92 1ot4 n SER 88 Cb 0.47 -4.66 -0.03 0.00 -1.01 0.00 0.00 64.21 58.99 1ot4 n SER 88 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ot4 s ASP 89 N -7.04 5.42 0.00 6.43 1.01 -1.26 -4.10 116.67 117.13 1ot4 s ASP 89 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.84 1ot4 s ASP 89 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1ot4 s ASP 89 CO 0.00 -2.21 0.00 1.07 0.21 0.00 0.00 175.17 174.24 1ot4 n THR 90 N 7.27 0.00 -3.65 -1.27 5.66 -1.26 -5.14 114.28 115.89 1ot4 n THR 90 Ca 0.21 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.22 1ot4 n THR 90 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 1ot4 n THR 90 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1ot4 s HIS 91 N -1.70 -0.19 0.64 1.09 -3.43 -1.26 -5.17 115.29 105.28 1ot4 s HIS 91 Ca 0.00 0.37 -0.13 0.00 -0.80 0.00 0.00 55.06 54.50 1ot4 s HIS 91 Cb 0.00 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.25 1ot4 s HIS 91 CO 0.00 -0.09 1.05 -1.25 -2.00 0.00 0.00 174.74 172.45 1ot4 s PRO 92 N 1.08 3.17 -0.14 -0.38 0.04 -1.26 -4.42 135.00 133.10 1ot4 s PRO 92 Ca -0.08 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 1ot4 s PRO 92 Cb -0.03 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1ot4 s PRO 92 CO -0.11 -0.92 -0.04 0.42 0.04 0.00 0.00 177.00 176.38 1ot4 s ILE 93 N -2.76 0.91 -0.07 0.56 1.09 -0.24 -5.04 121.20 115.65 1ot4 s ILE 93 Ca 0.60 -0.39 0.02 0.00 -1.10 0.00 0.00 60.65 59.78 1ot4 s ILE 93 Cb -0.15 -1.06 -0.03 0.00 -1.06 0.00 0.00 42.46 40.17 1ot4 s ILE 93 CO 0.46 0.19 -0.12 0.42 -0.10 0.00 0.00 174.94 175.79 1ot4 s THR 94 N 1.73 3.27 0.07 2.92 -4.23 -1.26 0.29 115.64 118.43 1ot4 s THR 94 Ca 0.03 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1ot4 s THR 94 Cb -0.14 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1ot4 s THR 94 CO -0.07 0.58 0.05 -0.83 -0.54 0.00 0.00 174.62 173.80 1ot4 s GLY 95 N -0.53 0.42 0.05 3.99 0.00 0.27 -4.98 107.32 106.56 1ot4 s GLY 95 Ca 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1ot4 s GLY 95 CO 0.02 -1.17 -0.05 -0.56 0.00 0.00 0.00 173.10 171.33 1ot4 s SER 96 N -2.92 0.70 -0.24 1.64 0.01 -1.26 0.14 113.70 111.77 1ot4 s SER 96 Ca 0.08 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.53 1ot4 s SER 96 Cb 0.07 0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.49 1ot4 s SER 96 CO -0.09 -0.40 0.11 -0.69 0.41 0.00 0.00 173.24 172.59 1ot4 s VAL 97 N -2.63 -0.05 0.16 3.43 1.01 0.16 -4.94 120.40 117.55 1ot4 s VAL 97 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1ot4 s VAL 97 Cb -0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 1ot4 s VAL 97 CO -0.04 -0.52 0.74 0.28 0.00 0.00 0.00 175.10 175.56 1ot4 s THR 98 N 2.10 4.45 -0.02 3.92 -1.32 -1.26 -0.33 115.64 123.18 1ot4 s THR 98 Ca 0.06 1.58 -0.16 0.00 -1.21 0.00 0.00 61.69 61.95 1ot4 s THR 98 Cb -0.16 -4.06 0.03 0.00 -1.51 0.00 0.00 72.50 66.79 1ot4 s THR 98 CO -0.24 0.48 0.34 0.72 -2.21 0.00 0.00 174.62 173.71 1ot4 s PHE 99 N -1.20 -0.23 0.27 9.09 -0.12 -0.30 0.25 117.98 125.74 1ot4 s PHE 99 Ca 0.36 0.36 0.08 0.00 -0.05 0.00 0.00 56.93 57.68 1ot4 s PHE 99 Cb -0.22 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1ot4 s PHE 99 CO 0.24 -0.40 0.14 0.15 -0.05 0.00 0.00 175.22 175.30 1ot4 s LYS 100 N -1.27 2.67 -0.04 1.99 1.02 0.68 -1.53 119.74 123.25 1ot4 s LYS 100 Ca -0.13 -1.23 -0.02 0.00 0.02 0.00 0.00 55.97 54.61 1ot4 s LYS 100 Cb -0.05 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1ot4 s LYS 100 CO 0.05 0.34 0.07 0.08 -0.92 0.00 0.00 175.35 174.96 1ot4 s VAL 101 N -2.23 -0.12 -0.84 3.17 1.01 0.11 -3.36 120.40 118.14 1ot4 s VAL 101 Ca 0.34 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.80 1ot4 s VAL 101 Cb -0.07 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.21 1ot4 s VAL 101 CO 0.23 0.18 0.71 0.29 0.00 0.00 0.00 175.10 176.51