#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d01 h GLU 3 N 0.00 0.54 -0.46 -2.82 5.08 -2.05 0.17 114.58 115.04 3d01 h GLU 3 Ca 0.00 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3d01 h GLU 3 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3d01 h GLU 3 CO 0.00 0.83 0.26 -0.97 -1.00 0.00 0.00 179.01 178.13 3d01 h ASN 4 N 0.46 0.41 -0.71 1.42 -1.24 -2.05 -0.83 115.58 113.03 3d01 h ASN 4 Ca 0.05 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 3d01 h ASN 4 Cb 0.84 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.79 3d01 h ASN 4 CO 0.07 0.29 0.24 0.25 -1.29 0.00 0.00 177.43 176.99 3d01 h LEU 5 N 0.52 1.02 0.38 0.34 5.85 -1.84 0.12 115.31 121.69 3d01 h LEU 5 Ca 0.19 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3d01 h LEU 5 Cb 0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3d01 h LEU 5 CO -0.10 0.95 -0.30 0.22 -0.34 0.00 0.00 178.44 178.86 3d01 h TYR 6 N 1.04 -0.81 -0.85 1.25 3.20 -0.49 0.25 116.97 120.56 3d01 h TYR 6 Ca 0.23 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3d01 h TYR 6 Cb 0.28 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3d01 h TYR 6 CO 0.02 -0.45 0.54 0.74 -1.64 0.00 0.00 178.16 177.37 3d01 h PHE 7 N -0.69 1.09 -0.31 -3.82 0.04 -1.01 -1.70 116.94 110.55 3d01 h PHE 7 Ca -0.03 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 3d01 h PHE 7 Cb 0.60 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3d01 h PHE 7 CO -0.15 0.71 -0.18 0.37 -0.60 0.00 0.00 178.31 178.46 3d01 h GLN 8 N 1.16 0.57 -0.79 1.51 5.75 -0.48 -1.70 115.11 121.13 3d01 h GLN 8 Ca 0.31 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3d01 h GLN 8 Cb -0.09 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.41 3d01 h GLN 8 CO -0.06 0.72 0.00 0.41 -2.65 0.00 0.00 178.83 177.25 3d01 n GLY 9 N -0.46 0.19 0.98 2.39 0.00 0.84 -1.31 105.19 107.82 3d01 n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d01 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d01 n SER 11 N 0.64 0.00 -0.35 1.61 7.64 -0.64 -0.99 113.62 121.53 3d01 n SER 11 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3d01 n SER 11 Cb 0.04 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.40 3d01 n SER 11 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3d01 h ASP 12 N 0.00 1.06 -0.35 6.43 3.32 -1.47 -0.26 116.42 125.15 3d01 h ASP 12 Ca 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3d01 h ASP 12 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3d01 h ASP 12 CO 0.00 0.73 -0.09 0.58 -1.72 0.00 0.00 179.24 178.74 3d01 h VAL 13 N 1.23 1.28 0.14 -1.35 2.07 -1.33 0.79 116.25 119.08 3d01 h VAL 13 Ca 0.38 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3d01 h VAL 13 Cb -0.01 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3d01 h VAL 13 CO -0.11 0.38 -0.12 0.40 0.02 0.00 0.00 177.57 178.13 3d01 h ILE 14 N 0.48 0.72 0.00 4.57 2.04 -1.63 -0.67 117.51 123.01 3d01 h ILE 14 Ca 0.09 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 3d01 h ILE 14 Cb 0.60 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3d01 h ILE 14 CO 0.04 0.00 -0.31 -0.33 0.00 0.00 0.00 178.15 177.55 3d01 h GLU 15 N -0.28 0.00 -0.48 2.37 5.08 -1.04 -2.37 114.58 117.86 3d01 h GLU 15 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3d01 h GLU 15 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3d01 h GLU 15 CO -0.03 0.31 -0.04 0.78 -1.00 0.00 0.00 179.01 179.03 3d01 h GLY 16 N 1.11 0.94 1.25 -3.84 0.00 -0.42 -1.70 103.07 100.41 3d01 h GLY 16 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 3d01 h GLY 16 CO 0.04 0.66 0.34 3.21 0.00 0.00 0.00 176.54 180.79 3d01 h ARG 17 N 0.72 0.98 -0.49 4.80 3.08 -0.80 -0.75 114.38 121.92 3d01 h ARG 17 Ca 0.13 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3d01 h ARG 17 Cb 0.56 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3d01 h ARG 17 CO 0.03 0.75 -0.18 1.25 -1.07 0.00 0.00 179.97 180.75 3d01 h LEU 18 N 0.98 1.01 -0.99 3.04 5.85 -1.23 -2.53 115.31 121.44 3d01 h LEU 18 Ca 0.24 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3d01 h LEU 18 Cb 0.09 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3d01 h LEU 18 CO -0.03 1.17 0.57 0.11 -0.34 0.00 0.00 178.44 179.92 3d01 h LYS 19 N 0.85 1.27 0.00 1.25 1.57 -0.97 -1.65 116.57 118.89 3d01 h LYS 19 Ca 0.12 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d01 h LYS 19 Cb 0.76 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3d01 h LYS 19 CO 0.06 0.88 -0.00 0.93 -0.57 0.00 0.00 179.45 180.75 3d01 h GLU 20 N 1.29 0.00 -0.00 3.15 5.08 -0.77 0.10 114.58 123.43 3d01 h GLU 20 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3d01 h GLU 20 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3d01 h GLU 20 CO -0.06 0.00 -0.12 1.28 -1.00 0.00 0.00 179.01 179.10 3d01 n LEU 21 N -4.38 0.38 0.00 1.33 4.77 -0.67 -4.94 117.00 113.49 3d01 n LEU 21 Ca -0.03 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3d01 n LEU 21 Cb 0.09 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3d01 n LEU 21 CO 0.33 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3d01 n GLY 22 N 1.33 0.84 3.45 -0.72 0.00 0.02 -5.10 105.19 105.01 3d01 n GLY 22 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3d01 n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d01 s PHE 23 N -2.00 2.63 0.08 1.61 0.08 -0.91 -4.99 117.98 114.48 3d01 s PHE 23 Ca 0.00 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 56.88 3d01 s PHE 23 Cb 0.00 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3d01 s PHE 23 CO 0.00 0.17 0.02 0.95 -0.10 0.00 0.00 175.22 176.25 3d01 s THR 24 N -0.75 4.14 0.11 0.64 -4.23 -1.26 -2.88 115.64 111.41 3d01 s THR 24 Ca 0.12 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.41 3d01 s THR 24 Cb -0.10 -2.97 -0.07 0.00 1.34 0.00 0.00 72.50 70.69 3d01 s THR 24 CO 0.01 0.14 1.32 -0.76 -0.54 0.00 0.00 174.62 174.79 3d01 s LEU 25 N -2.27 4.38 0.78 4.79 1.43 -1.26 -5.02 118.68 121.51 3d01 s LEU 25 Ca 0.26 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 3d01 s LEU 25 Cb -0.12 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.58 3d01 s LEU 25 CO 0.19 -0.57 1.09 -2.16 0.23 0.00 0.00 176.35 175.12 3d01 s PRO 26 N 0.89 2.20 0.00 1.29 0.04 -1.26 -5.09 135.00 133.07 3d01 s PRO 26 Ca 0.61 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.35 3d01 s PRO 26 Cb -0.34 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3d01 s PRO 26 CO 0.31 -1.56 0.00 0.28 0.04 0.00 0.00 177.00 176.07 3d01 n VAL 27 N -3.40 0.00 0.00 -0.36 0.31 -1.26 -4.86 118.33 108.76 3d01 n VAL 27 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3d01 n VAL 27 Cb 0.56 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 3d01 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d01 n ALA 33 N -3.00 0.00 0.74 3.52 0.00 -1.26 -4.94 120.51 115.57 3d01 n ALA 33 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3d01 n ALA 33 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 3d01 n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d01 n ASN 34 N 0.00 0.17 -4.57 0.00 5.03 -1.26 -4.60 115.26 110.04 3d01 n ASN 34 Ca 0.00 0.53 -0.30 0.00 0.87 0.00 0.00 54.58 55.68 3d01 n ASN 34 Cb 0.00 -0.57 -0.10 0.00 -1.02 0.00 0.00 39.78 38.09 3d01 n ASN 34 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3d01 s TYR 35 N -3.04 2.73 0.23 3.10 -0.85 -1.26 -5.15 117.35 113.11 3d01 s TYR 35 Ca 0.10 -0.16 0.11 0.00 -0.52 0.00 0.00 57.07 56.61 3d01 s TYR 35 Cb 0.14 -1.44 -0.05 0.00 0.38 0.00 0.00 41.96 41.00 3d01 s TYR 35 CO 0.44 0.42 -0.17 0.14 -1.52 0.00 0.00 175.55 174.86 3d01 s VAL 36 N -1.20 2.69 -0.02 -3.49 -7.23 -1.26 -5.04 120.40 104.85 3d01 s VAL 36 Ca 0.21 -2.09 0.31 0.00 -1.81 0.00 0.00 61.98 58.60 3d01 s VAL 36 Cb -0.11 -2.36 0.34 0.00 0.56 0.00 0.00 36.38 34.81 3d01 s VAL 36 CO 0.13 -0.25 1.93 1.55 -0.31 0.00 0.00 175.10 178.15 3d01 h PRO 37 N 2.64 0.00 -2.53 4.82 0.13 -1.98 -3.43 132.00 131.66 3d01 h PRO 37 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3d01 h PRO 37 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 3d01 h PRO 37 CO 0.55 0.00 0.30 -0.59 -0.23 0.00 0.00 178.00 178.03 3d01 s PHE 38 N -3.62 -0.51 0.08 1.56 -0.12 -1.26 -0.92 117.98 113.20 3d01 s PHE 38 Ca 0.01 0.48 0.01 0.00 -0.05 0.00 0.00 56.93 57.38 3d01 s PHE 38 Cb 0.09 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3d01 s PHE 38 CO 0.45 -0.69 -0.06 0.95 -0.05 0.00 0.00 175.22 175.82 3d01 s THR 39 N -2.90 0.55 -0.05 -4.49 -4.23 -0.50 -4.99 115.64 99.03 3d01 s THR 39 Ca -0.01 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 3d01 s THR 39 Cb -0.01 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3d01 s THR 39 CO -0.06 -0.88 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.35 3d01 s ILE 40 N -3.58 1.33 -0.11 2.99 1.01 -1.26 -0.52 121.20 121.07 3d01 s ILE 40 Ca 0.09 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3d01 s ILE 40 Cb 0.05 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.39 3d01 s ILE 40 CO -0.06 0.39 -0.03 -0.55 0.00 0.00 0.00 174.94 174.69 3d01 s SER 41 N 0.25 2.04 1.88 3.58 0.15 0.38 -4.99 113.70 116.98 3d01 s SER 41 Ca -0.08 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3d01 s SER 41 Cb -0.13 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 3d01 s SER 41 CO 0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.90 3d01 n GLY 42 N 5.04 3.79 1.32 9.45 0.00 -1.26 -0.96 105.19 122.56 3d01 n GLY 42 Ca -0.10 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.94 3d01 n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d01 n ASN 43 N 7.49 4.21 -4.44 1.61 0.23 -1.26 -4.93 115.26 118.18 3d01 n ASN 43 Ca 0.00 -3.15 -0.34 0.00 -0.53 0.00 0.00 54.58 50.56 3d01 n ASN 43 Cb 0.00 -0.62 -0.13 0.00 -2.08 0.00 0.00 39.78 36.95 3d01 n ASN 43 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3d01 s LEU 44 N -2.91 3.14 -0.25 -4.53 1.43 -0.14 -0.67 118.68 114.76 3d01 s LEU 44 Ca 0.47 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3d01 s LEU 44 Cb 0.38 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3d01 s LEU 44 CO 0.10 0.11 0.07 -0.22 0.23 0.00 0.00 176.35 176.64 3d01 s LEU 45 N 0.73 3.47 -0.32 1.79 2.96 0.38 -0.47 118.68 127.22 3d01 s LEU 45 Ca -0.02 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3d01 s LEU 45 Cb -0.14 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3d01 s LEU 45 CO 0.02 -0.03 0.18 -0.31 -1.32 0.00 0.00 176.35 174.89 3d01 s TYR 46 N 1.57 3.19 -0.19 5.38 2.02 0.32 -0.68 117.35 128.97 3d01 s TYR 46 Ca 0.06 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 3d01 s TYR 46 Cb -0.15 -2.39 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 3d01 s TYR 46 CO 0.04 -0.42 0.10 0.08 -1.57 0.00 0.00 175.55 173.78 3d01 s VAL 47 N 1.65 5.14 0.77 0.71 1.01 0.64 -1.40 120.40 128.92 3d01 s VAL 47 Ca 0.05 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 3d01 s VAL 47 Cb -0.17 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.94 3d01 s VAL 47 CO 0.08 0.45 1.22 -0.44 0.00 0.00 0.00 175.10 176.41 3d01 s SER 48 N 0.33 3.81 -0.18 3.32 0.01 -0.09 -2.71 113.70 118.19 3d01 s SER 48 Ca 0.06 2.40 -0.39 0.00 1.31 0.00 0.00 55.95 59.34 3d01 s SER 48 Cb -0.12 -2.59 -0.15 0.00 0.21 0.00 0.00 66.02 63.37 3d01 s SER 48 CO -0.01 -2.52 1.69 0.61 0.41 0.00 0.00 173.24 173.42 3d01 n GLY 49 N 0.53 0.88 3.72 3.44 0.00 -1.26 -4.57 105.19 107.93 3d01 n GLY 49 Ca 0.14 0.88 -0.33 0.00 0.00 0.00 0.00 46.02 46.70 3d01 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d01 s GLN 50 N 3.03 2.93 0.40 1.61 -1.52 0.09 -4.87 119.66 121.33 3d01 s GLN 50 Ca 0.95 -0.52 0.08 0.00 -1.95 0.00 0.00 55.36 53.91 3d01 s GLN 50 Cb -0.99 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 29.02 3d01 s GLN 50 CO 0.60 0.65 0.40 -0.51 -0.25 0.00 0.00 175.29 176.18 3d01 s LEU 51 N -1.48 3.49 0.21 2.90 1.43 -1.26 -1.49 118.68 122.47 3d01 s LEU 51 Ca 0.19 -0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 3d01 s LEU 51 Cb -0.12 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 3d01 s LEU 51 CO 0.10 -0.62 0.88 -2.16 0.23 0.00 0.00 176.35 174.77 3d01 s PRO 52 N -4.15 4.74 0.00 1.29 0.05 -1.26 -4.12 135.00 131.56 3d01 s PRO 52 Ca 0.48 1.36 0.00 0.00 0.05 0.00 0.00 61.00 62.89 3d01 s PRO 52 Cb -0.05 -3.27 0.00 0.00 0.05 0.00 0.00 34.50 31.23 3d01 s PRO 52 CO 0.29 0.54 0.00 -1.91 0.05 0.00 0.00 177.00 175.96 3d01 n GLU 54 N 1.55 0.00 -4.07 4.56 2.13 0.09 -0.62 120.64 124.28 3d01 n GLU 54 Ca -0.03 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.47 3d01 n GLU 54 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.17 3d01 n GLU 54 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3d01 n SER 55 N 0.00 -2.74 0.00 4.31 7.64 -1.26 -2.02 113.62 119.54 3d01 n SER 55 Ca 0.00 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3d01 n SER 55 Cb 0.00 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 3d01 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d01 n GLY 56 N -1.63 0.55 3.15 0.23 0.00 -1.26 -5.02 105.19 101.22 3d01 n GLY 56 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3d01 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d01 s LYS 57 N -0.09 0.77 -0.22 1.61 1.02 -0.86 -5.10 119.74 116.87 3d01 s LYS 57 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 3d01 s LYS 57 Cb 0.00 -0.59 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 3d01 s LYS 57 CO 0.00 0.11 1.35 0.42 -0.92 0.00 0.00 175.35 176.31 3d01 s ILE 58 N -1.80 4.10 -0.17 2.17 -1.09 -1.26 -0.73 121.20 122.42 3d01 s ILE 58 Ca -0.01 1.29 0.18 0.00 -2.23 0.00 0.00 60.65 59.88 3d01 s ILE 58 Cb -0.07 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 3d01 s ILE 58 CO 0.01 -0.28 1.07 0.00 -1.23 0.00 0.00 174.94 174.50 3d01 h ALA 59 N 9.05 0.65 -3.26 9.38 0.00 -1.18 -3.45 119.26 130.45 3d01 h ALA 59 Ca -0.28 -0.55 -0.39 0.00 0.00 0.00 0.00 54.91 53.69 3d01 h ALA 59 Cb 1.11 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 3d01 h ALA 59 CO 1.00 0.63 -0.75 0.08 0.00 0.00 0.00 179.25 180.21 3d01 s VAL 60 N -3.03 -0.03 0.15 0.00 1.01 -1.26 -5.08 120.40 112.16 3d01 s VAL 60 Ca -0.00 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.31 3d01 s VAL 60 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3d01 s VAL 60 CO 0.78 0.11 -0.10 0.42 0.00 0.00 0.00 175.10 176.31 3d01 s THR 61 N 2.13 1.20 0.00 3.92 -4.23 -1.26 -2.18 115.64 115.23 3d01 s THR 61 Ca 0.04 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3d01 s THR 61 Cb -0.13 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.86 3d01 s THR 61 CO -0.04 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 3d01 n GLY 62 N -0.19 -0.05 3.73 3.99 0.00 0.00 -4.69 105.19 107.98 3d01 n GLY 62 Ca -0.10 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 3d01 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d01 s LEU 63 N -0.63 4.31 0.10 0.99 1.43 -1.26 -4.02 118.68 119.59 3d01 s LEU 63 Ca 0.00 0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 53.76 3d01 s LEU 63 Cb 0.00 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 3d01 s LEU 63 CO 0.00 -0.02 1.41 -0.69 0.23 0.00 0.00 176.35 177.28 3d01 s VAL 64 N 0.56 3.33 0.00 -1.59 1.01 0.28 -0.22 120.40 123.77 3d01 s VAL 64 Ca 0.30 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.20 3d01 s VAL 64 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3d01 s VAL 64 CO 0.13 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3d01 n GLY 65 N 3.56 0.55 1.60 4.51 0.00 -0.45 -2.23 105.19 112.74 3d01 n GLY 65 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3d01 n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d01 n ARG 66 N -2.00 0.00 -0.01 1.61 0.63 -0.71 -4.92 116.66 111.26 3d01 n ARG 66 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 3d01 n ARG 66 Cb 0.00 -0.12 -0.12 0.00 0.45 0.00 0.00 32.46 32.67 3d01 n ARG 66 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3d01 n ASP 67 N -3.10 0.50 -3.95 6.15 8.00 0.69 -4.95 116.55 119.90 3d01 n ASP 67 Ca 0.00 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 3d01 n ASP 67 Cb 0.00 0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 3d01 n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3d01 s VAL 68 N -2.88 0.37 0.73 2.53 1.01 -1.05 -4.92 120.40 116.18 3d01 s VAL 68 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3d01 s VAL 68 Cb 0.09 -0.32 0.13 0.00 0.00 0.00 0.00 36.38 36.28 3d01 s VAL 68 CO 0.83 0.11 1.00 1.51 0.00 0.00 0.00 175.10 178.55 3d01 s ASP 69 N -0.07 4.30 0.20 3.32 1.47 -1.26 -1.34 116.67 123.29 3d01 s ASP 69 Ca 0.01 -0.38 -0.10 0.00 1.18 0.00 0.00 52.55 53.26 3d01 s ASP 69 Cb -0.02 0.03 0.13 0.00 -0.34 0.00 0.00 42.92 42.71 3d01 s ASP 69 CO -0.00 -1.89 1.78 0.58 0.68 0.00 0.00 175.17 176.31 3d01 h VAL 70 N -0.55 1.24 -0.36 2.11 2.07 -1.99 -1.21 116.25 117.56 3d01 h VAL 70 Ca -0.36 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3d01 h VAL 70 Cb 1.27 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3d01 h VAL 70 CO 0.40 0.28 0.18 0.00 0.02 0.00 0.00 177.57 178.45 3d01 h ALA 71 N 1.16 0.46 -0.61 1.67 0.00 -1.98 0.21 119.26 120.17 3d01 h ALA 71 Ca 0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3d01 h ALA 71 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3d01 h ALA 71 CO -0.03 0.01 0.14 0.77 0.00 0.00 0.00 179.25 180.14 3d01 h SER 72 N 0.44 0.90 0.22 0.00 0.02 -1.90 -2.31 113.55 110.93 3d01 h SER 72 Ca 0.12 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 3d01 h SER 72 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3d01 h SER 72 CO -0.02 0.88 -0.42 0.00 -1.14 0.00 0.00 176.83 176.14 3d01 h ALA 73 N 1.23 1.09 -0.78 3.77 0.00 -0.61 -1.69 119.26 122.27 3d01 h ALA 73 Ca 0.19 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3d01 h ALA 73 Cb 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3d01 h ALA 73 CO 0.00 0.60 0.30 1.96 0.00 0.00 0.00 179.25 182.10 3d01 h GLN 74 N 0.21 1.18 -0.85 0.00 4.20 -0.30 -0.07 115.11 119.48 3d01 h GLN 74 Ca 0.02 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 3d01 h GLN 74 Cb 0.83 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3d01 h GLN 74 CO 0.07 0.97 0.41 -0.09 -0.67 0.00 0.00 178.83 179.52 3d01 h ARG 75 N 1.15 1.23 -0.19 1.46 9.65 -1.10 -0.15 114.38 126.42 3d01 h ARG 75 Ca 0.26 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3d01 h ARG 75 Cb 0.24 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3d01 h ARG 75 CO -0.02 0.94 0.11 0.00 2.80 0.00 0.00 179.97 183.80 3d01 h ALA 76 N 1.22 0.24 -0.85 2.80 0.00 -0.67 -0.24 119.26 121.75 3d01 h ALA 76 Ca 0.29 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3d01 h ALA 76 Cb 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3d01 h ALA 76 CO -0.04 -0.31 0.53 0.00 0.00 0.00 0.00 179.25 179.44 3d01 h ALA 77 N 1.09 1.16 -0.34 0.00 0.00 -0.62 0.76 119.26 121.31 3d01 h ALA 77 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d01 h ALA 77 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d01 h ALA 77 CO -0.04 0.30 0.21 0.93 0.00 0.00 0.00 179.25 180.65 3d01 h GLU 78 N 0.99 0.43 -0.68 0.00 5.08 -0.55 -0.22 114.58 119.63 3d01 h GLU 78 Ca 0.37 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3d01 h GLU 78 Cb 0.14 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3d01 h GLU 78 CO -0.16 0.28 0.34 -0.07 -1.00 0.00 0.00 179.01 178.40 3d01 h LEU 79 N 0.44 0.88 -0.50 1.33 3.38 -0.20 -0.51 115.31 120.13 3d01 h LEU 79 Ca 0.13 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3d01 h LEU 79 Cb -0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3d01 h LEU 79 CO -0.04 0.76 0.20 0.00 0.09 0.00 0.00 178.44 179.45 3d01 h ALA 81 N 1.32 0.78 -0.64 0.00 0.00 -0.43 -0.10 119.26 120.19 3d01 h ALA 81 Ca 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3d01 h ALA 81 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3d01 h ALA 81 CO -0.22 0.18 0.18 0.28 0.00 0.00 0.00 179.25 179.67 3d01 h VAL 82 N 0.81 1.24 -0.46 0.00 2.07 -0.63 -0.45 116.25 118.83 3d01 h VAL 82 Ca 0.23 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3d01 h VAL 82 Cb -0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3d01 h VAL 82 CO -0.06 0.33 -0.13 0.78 0.02 0.00 0.00 177.57 178.51 3d01 h ASN 83 N 0.95 0.84 -0.26 0.57 4.21 -0.63 -0.35 115.58 120.91 3d01 h ASN 83 Ca 0.21 -0.27 0.02 0.00 1.21 0.00 0.00 56.30 57.47 3d01 h ASN 83 Cb 0.31 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 3d01 h ASN 83 CO -0.00 0.98 0.11 0.40 -1.29 0.00 0.00 177.43 177.63 3d01 h ILE 84 N 0.76 0.96 -0.62 2.81 2.04 -0.47 -1.78 117.51 121.21 3d01 h ILE 84 Ca 0.12 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3d01 h ILE 84 Cb 0.64 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3d01 h ILE 84 CO 0.04 0.05 0.18 -0.07 0.00 0.00 0.00 178.15 178.35 3d01 h LEU 85 N 0.25 0.87 -0.61 1.44 3.38 -0.72 -0.08 115.31 119.85 3d01 h LEU 85 Ca 0.11 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3d01 h LEU 85 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3d01 h LEU 85 CO -0.10 0.82 0.36 0.00 0.09 0.00 0.00 178.44 179.62 3d01 h ALA 86 N 1.29 0.79 -0.56 1.53 0.00 -0.78 -0.22 119.26 121.31 3d01 h ALA 86 Ca 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3d01 h ALA 86 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3d01 h ALA 86 CO -0.01 0.08 0.13 1.96 0.00 0.00 0.00 179.25 181.41 3d01 h GLN 87 N 0.70 0.90 -0.52 0.00 1.08 -0.45 -2.05 115.11 114.76 3d01 h GLN 87 Ca 0.25 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3d01 h GLN 87 Cb 0.06 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3d01 h GLN 87 CO -0.12 0.85 0.26 0.28 -0.95 0.00 0.00 178.83 179.15 3d01 h VAL 88 N 0.80 1.19 -0.47 -0.54 2.07 -0.81 0.55 116.25 119.04 3d01 h VAL 88 Ca 0.17 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3d01 h VAL 88 Cb 0.36 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3d01 h VAL 88 CO 0.00 0.21 0.27 0.50 0.02 0.00 0.00 177.57 178.57 3d01 h LYS 89 N 0.70 0.52 -0.53 1.57 3.64 -0.91 -0.34 116.57 121.22 3d01 h LYS 89 Ca 0.18 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3d01 h LYS 89 Cb 0.09 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3d01 h LYS 89 CO -0.03 0.34 0.24 0.00 -2.27 0.00 0.00 179.45 177.74 3d01 h ALA 90 N 1.22 0.68 -0.22 5.00 0.00 -1.02 0.43 119.26 125.36 3d01 h ALA 90 Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3d01 h ALA 90 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3d01 h ALA 90 CO -0.10 0.26 0.15 0.00 0.00 0.00 0.00 179.25 179.56 3d01 h ALA 91 N 1.08 1.94 -0.58 0.00 0.00 -0.37 -2.56 119.26 118.77 3d01 h ALA 91 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d01 h ALA 91 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3d01 h ALA 91 CO -0.02 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3d01 n LEU 92 N -4.50 4.95 -3.79 0.00 4.77 -0.19 -4.96 117.00 113.28 3d01 n LEU 92 Ca 0.01 -2.65 -0.28 0.00 -0.03 0.00 0.00 56.01 53.05 3d01 n LEU 92 Cb 0.13 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.67 3d01 n LEU 92 CO 0.35 0.74 0.15 0.59 -1.33 0.00 0.00 177.39 177.88 3d01 n ASN 93 N 0.77 -5.34 0.00 -1.43 5.03 -0.97 -2.64 115.26 110.69 3d01 n ASN 93 Ca 0.26 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 55.02 3d01 n ASN 93 Cb 0.98 -4.24 0.00 0.00 -1.02 0.00 0.00 39.78 35.50 3d01 n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d01 n GLY 94 N -1.78 0.27 3.04 7.41 0.00 0.11 -5.03 105.19 109.20 3d01 n GLY 94 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3d01 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d01 s ASP 95 N -2.51 4.99 0.41 1.61 2.15 -1.08 -4.93 116.67 117.31 3d01 s ASP 95 Ca 0.00 -3.07 0.26 0.00 0.43 0.00 0.00 52.55 50.17 3d01 s ASP 95 Cb 0.00 -1.78 1.44 0.00 -0.30 0.00 0.00 42.92 42.28 3d01 s ASP 95 CO 0.00 -0.29 1.80 -0.07 -0.17 0.00 0.00 175.17 176.45 3d01 h LEU 96 N 6.64 0.00 -0.67 -1.34 3.38 -1.88 -1.09 115.31 120.36 3d01 h LEU 96 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d01 h LEU 96 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3d01 h LEU 96 CO 0.72 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.02 3d01 h SER 97 N 0.00 0.00 0.04 -0.43 4.64 -1.92 -2.66 113.55 113.23 3d01 h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d01 h SER 97 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3d01 h SER 97 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3d01 n LYS 98 N -2.36 0.86 -2.14 4.77 5.02 -0.41 -4.77 118.16 119.13 3d01 n LYS 98 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3d01 n LYS 98 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3d01 n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d01 s ILE 99 N -2.05 3.64 -0.17 -0.18 1.01 -1.01 -1.36 121.20 121.08 3d01 s ILE 99 Ca 0.42 0.95 -0.16 0.00 0.00 0.00 0.00 60.65 61.86 3d01 s ILE 99 Cb 0.20 -3.61 -0.22 0.00 0.01 0.00 0.00 42.46 38.84 3d01 s ILE 99 CO 0.34 -0.03 0.30 0.03 0.00 0.00 0.00 174.94 175.58 3d01 h ARG 100 N 8.41 0.11 -2.19 2.79 3.08 -0.67 -3.47 114.38 122.45 3d01 h ARG 100 Ca -0.38 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.43 3d01 h ARG 100 Cb 1.17 0.07 -0.22 0.00 0.08 0.00 0.00 29.97 31.07 3d01 h ARG 100 CO 0.93 1.09 -0.01 0.50 -1.07 0.00 0.00 179.97 181.42 3d01 s ARG 101 N -2.44 0.70 -0.40 0.04 6.06 -0.96 -4.71 118.95 117.24 3d01 s ARG 101 Ca -0.26 0.97 -0.29 0.00 -2.50 0.00 0.00 55.73 53.65 3d01 s ARG 101 Cb 0.06 0.26 0.02 0.00 0.06 0.00 0.00 34.95 35.35 3d01 s ARG 101 CO 0.67 -0.11 1.12 0.08 -2.50 0.00 0.00 175.30 174.56 3d01 s VAL 102 N 0.80 4.33 -0.04 7.11 1.01 0.13 0.21 120.40 133.95 3d01 s VAL 102 Ca -0.04 1.45 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 3d01 s VAL 102 Cb -0.05 -4.50 -0.31 0.00 0.00 0.00 0.00 36.38 31.52 3d01 s VAL 102 CO -0.06 -0.75 0.91 0.40 0.00 0.00 0.00 175.10 175.60 3d01 h ILE 103 N 6.01 1.50 -2.31 2.22 1.08 -1.24 -3.34 117.51 121.43 3d01 h ILE 103 Ca -0.22 -2.52 -0.06 0.00 -0.39 0.00 0.00 64.86 61.67 3d01 h ILE 103 Cb 1.06 3.17 -0.23 0.00 -3.07 0.00 0.00 36.82 37.75 3d01 h ILE 103 CO 1.08 0.72 -0.07 -0.75 -0.69 0.00 0.00 178.15 178.44 3d01 s LYS 104 N -2.48 0.63 -0.06 2.37 2.47 -1.00 -1.59 119.74 120.07 3d01 s LYS 104 Ca -0.13 0.91 0.04 0.00 -1.56 0.00 0.00 55.97 55.23 3d01 s LYS 104 Cb 0.01 0.21 -0.02 0.00 -1.46 0.00 0.00 37.83 36.57 3d01 s LYS 104 CO 0.84 -0.11 -0.18 -0.51 0.16 0.00 0.00 175.35 175.54 3d01 s LEU 105 N 0.88 2.50 -0.28 5.43 1.43 -0.58 -1.10 118.68 126.96 3d01 s LEU 105 Ca -0.05 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 3d01 s LEU 105 Cb -0.05 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3d01 s LEU 105 CO -0.07 0.29 0.04 0.20 0.23 0.00 0.00 176.35 177.04 3d01 s ASN 106 N -0.42 4.90 -0.30 2.29 -0.87 -0.82 -1.91 114.94 117.81 3d01 s ASN 106 Ca 0.05 -0.70 -0.09 0.00 -1.57 0.00 0.00 52.86 50.54 3d01 s ASN 106 Cb -0.12 -1.83 -0.01 0.00 -0.02 0.00 0.00 41.25 39.27 3d01 s ASN 106 CO 0.02 -0.16 0.14 -0.83 -2.57 0.00 0.00 177.10 173.69 3d01 s GLY 107 N 1.46 1.85 -0.30 0.66 0.00 0.37 -2.05 107.32 109.31 3d01 s GLY 107 Ca 0.02 -1.33 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 3d01 s GLY 107 CO 0.01 0.66 0.10 -1.36 0.00 0.00 0.00 173.10 172.51 3d01 s PHE 108 N 1.62 3.15 -0.24 1.90 0.08 0.41 -1.31 117.98 123.58 3d01 s PHE 108 Ca 0.05 -0.83 -0.02 0.00 0.12 0.00 0.00 56.93 56.25 3d01 s PHE 108 Cb -0.17 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.02 3d01 s PHE 108 CO 0.06 -0.53 -0.07 0.08 -0.10 0.00 0.00 175.22 174.66 3d01 s VAL 109 N 1.54 2.87 -0.05 -0.44 1.01 0.23 -1.15 120.40 124.41 3d01 s VAL 109 Ca 0.03 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3d01 s VAL 109 Cb -0.17 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 3d01 s VAL 109 CO 0.04 0.26 1.85 0.00 0.00 0.00 0.00 175.10 177.24 3d01 s ALA 110 N 1.34 3.47 0.00 5.51 0.00 0.26 -4.27 121.76 128.09 3d01 s ALA 110 Ca 0.01 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3d01 s ALA 110 Cb -0.16 -3.84 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 3d01 s ALA 110 CO -0.05 -1.68 -0.05 -1.12 0.00 0.00 0.00 175.76 172.86 3d01 s SER 111 N 4.43 0.61 0.64 0.00 0.01 -1.26 -0.56 113.70 117.57 3d01 s SER 111 Ca 0.83 -0.18 -0.14 0.00 1.31 0.00 0.00 55.95 57.77 3d01 s SER 111 Cb -0.37 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 3d01 s SER 111 CO 0.35 0.01 1.07 0.68 0.41 0.00 0.00 173.24 175.76 3d01 s VAL 112 N -0.36 3.69 0.45 3.43 -7.23 -0.95 -4.64 120.40 114.80 3d01 s VAL 112 Ca -0.01 0.72 0.40 0.00 -1.81 0.00 0.00 61.98 61.29 3d01 s VAL 112 Cb -0.03 -3.28 0.43 0.00 0.56 0.00 0.00 36.38 34.05 3d01 s VAL 112 CO -0.00 -0.55 2.23 -0.65 -0.31 0.00 0.00 175.10 175.81 3d01 h PRO 113 N -0.03 0.00 0.00 4.82 0.11 -1.99 -1.21 132.00 133.70 3d01 h PRO 113 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d01 h PRO 113 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3d01 h PRO 113 CO 0.56 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.72 3d01 n GLU 114 N -3.10 0.16 -2.87 1.05 4.71 -1.26 -4.80 120.64 114.53 3d01 n GLU 114 Ca -0.02 0.13 -0.42 0.00 -0.01 0.00 0.00 57.16 56.84 3d01 n GLU 114 Cb 0.16 -1.68 -0.04 0.00 -1.01 0.00 0.00 31.44 28.87 3d01 n GLU 114 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3d01 s PHE 115 N -3.06 3.38 -0.04 -0.32 5.36 -0.46 -4.92 117.98 117.92 3d01 s PHE 115 Ca 0.12 1.24 0.15 0.00 -0.96 0.00 0.00 56.93 57.48 3d01 s PHE 115 Cb 0.15 -3.05 0.28 0.00 -0.34 0.00 0.00 43.02 40.06 3d01 s PHE 115 CO 0.58 -0.31 1.12 1.33 -1.46 0.00 0.00 175.22 176.48 3d01 n VAL 116 N 4.94 0.43 -1.79 3.12 0.24 -1.26 -4.81 118.33 119.19 3d01 n VAL 116 Ca 0.05 -1.06 -0.23 0.00 -2.04 0.00 0.00 64.34 61.06 3d01 n VAL 116 Cb 0.48 0.58 0.06 0.00 -1.47 0.00 0.00 33.84 33.50 3d01 n VAL 116 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3d01 n GLU 117 N -0.02 3.12 0.20 7.34 1.02 -1.26 -4.76 120.64 126.28 3d01 n GLU 117 Ca 0.07 -3.83 0.06 0.00 -0.02 0.00 0.00 57.16 53.44 3d01 n GLU 117 Cb 0.91 -2.20 0.56 0.00 -0.02 0.00 0.00 31.44 30.69 3d01 n GLU 117 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3d01 h GLN 118 N 1.95 0.11 -0.87 3.49 7.50 -1.93 -0.76 115.11 124.60 3d01 h GLN 118 Ca 0.39 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.50 3d01 h GLN 118 Cb 1.38 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.84 3d01 h GLN 118 CO 0.85 0.12 0.46 1.12 -1.50 0.00 0.00 178.83 179.89 3d01 h HIS 119 N 0.11 1.21 -0.38 2.96 2.07 -1.87 -1.59 115.15 117.66 3d01 h HIS 119 Ca 0.03 -0.04 -0.11 0.00 -2.85 0.00 0.00 60.37 57.40 3d01 h HIS 119 Cb 0.07 -0.38 -0.01 0.00 2.57 0.00 0.00 27.41 29.65 3d01 h HIS 119 CO 0.00 0.85 -0.22 -0.07 -3.07 0.00 0.00 177.93 175.42 3d01 h LEU 120 N 1.23 0.77 0.12 6.12 3.38 -1.54 -1.33 115.31 124.05 3d01 h LEU 120 Ca 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3d01 h LEU 120 Cb 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3d01 h LEU 120 CO -0.05 0.97 -0.06 0.58 0.09 0.00 0.00 178.44 179.97 3d01 h VAL 121 N 0.66 0.93 0.00 1.22 2.07 -1.06 -2.96 116.25 117.11 3d01 h VAL 121 Ca 0.09 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3d01 h VAL 121 Cb 0.72 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3d01 h VAL 121 CO 0.06 0.05 -0.18 0.40 0.02 0.00 0.00 177.57 177.91 3d01 h ILE 122 N -0.24 0.47 -0.81 4.57 1.08 -1.16 -1.54 117.51 119.88 3d01 h ILE 122 Ca -0.02 -0.95 0.23 0.00 -0.39 0.00 0.00 64.86 63.74 3d01 h ILE 122 Cb 0.20 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3d01 h ILE 122 CO 0.03 0.17 0.59 0.78 -0.69 0.00 0.00 178.15 179.03 3d01 h ASN 123 N 0.00 0.00 -0.52 1.72 2.35 -1.06 0.05 115.58 118.12 3d01 h ASN 123 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3d01 h ASN 123 Cb 0.66 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 3d01 h ASN 123 CO 0.02 0.00 0.21 1.23 -1.65 0.00 0.00 177.43 177.24 3d01 h GLY 124 N 0.00 0.71 0.58 2.83 0.00 -1.34 0.55 103.07 106.40 3d01 h GLY 124 Ca 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 3d01 h GLY 124 CO -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 176.54 176.52 3d01 h ALA 125 N 1.33 0.07 -0.70 3.60 0.00 -1.22 -2.36 119.26 119.98 3d01 h ALA 125 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3d01 h ALA 125 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3d01 h ALA 125 CO -0.23 -0.13 0.39 0.77 0.00 0.00 0.00 179.25 180.06 3d01 h SER 126 N -0.34 0.87 -0.48 0.00 0.02 -0.97 0.01 113.55 112.67 3d01 h SER 126 Ca 0.01 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3d01 h SER 126 Cb 0.57 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3d01 h SER 126 CO 0.01 0.71 0.02 0.78 -1.14 0.00 0.00 176.83 177.22 3d01 h ASN 127 N 0.96 0.82 -0.18 3.07 2.35 -0.97 -1.75 115.58 119.88 3d01 h ASN 127 Ca 0.25 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3d01 h ASN 127 Cb 0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3d01 h ASN 127 CO -0.04 0.91 0.10 0.25 -1.65 0.00 0.00 177.43 177.00 3d01 h LEU 128 N 0.70 0.23 -0.25 1.61 6.46 -0.95 -1.14 115.31 121.96 3d01 h LEU 128 Ca 0.14 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3d01 h LEU 128 Cb 0.48 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 3d01 h LEU 128 CO 0.02 0.25 0.11 0.40 -0.62 0.00 0.00 178.44 178.61 3d01 h ILE 129 N 0.19 1.16 -0.36 4.05 1.08 -0.94 -2.09 117.51 120.60 3d01 h ILE 129 Ca 0.06 -0.46 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 3d01 h ILE 129 Cb 0.07 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3d01 h ILE 129 CO -0.01 0.16 0.01 0.00 -0.69 0.00 0.00 178.15 177.62 3d01 h ALA 130 N 0.97 1.36 -0.34 1.87 0.00 -1.31 -1.91 119.26 119.89 3d01 h ALA 130 Ca 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3d01 h ALA 130 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3d01 h ALA 130 CO -0.01 0.45 -0.02 1.15 0.00 0.00 0.00 179.25 180.82 3d01 h THR 131 N 0.53 1.26 0.00 0.00 2.02 -0.92 0.05 112.91 115.85 3d01 h THR 131 Ca 0.11 -1.01 -0.16 0.00 0.77 0.00 0.00 66.41 66.13 3d01 h THR 131 Cb 0.32 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3d01 h THR 131 CO 0.01 0.33 -1.03 -0.37 0.37 0.00 0.00 175.52 174.83 3d01 h VAL 132 N 0.41 0.85 0.00 3.16 -1.51 -1.33 -3.34 116.25 114.50 3d01 h VAL 132 Ca 0.09 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 3d01 h VAL 132 Cb 0.48 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3d01 h VAL 132 CO 0.02 0.48 -1.61 0.18 -1.23 0.00 0.00 177.57 175.41 3d01 n LEU 133 N -3.10 0.19 0.00 4.19 4.77 -0.73 -4.58 117.00 117.74 3d01 n LEU 133 Ca -0.04 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3d01 n LEU 133 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3d01 n LEU 133 CO 0.43 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3d01 n GLY 134 N 1.45 0.53 0.26 -0.72 0.00 0.00 -4.09 105.19 102.63 3d01 n GLY 134 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.20 3d01 n GLY 134 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3d01 h GLU 135 N 0.00 0.39 -0.14 1.61 4.57 -1.96 0.83 114.58 119.88 3d01 h GLU 135 Ca 0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3d01 h GLU 135 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3d01 h GLU 135 CO 0.00 0.26 0.25 -1.35 -1.18 0.00 0.00 179.01 176.99 3d01 h PRO 136 N 0.40 0.00 0.00 0.92 0.11 -1.85 -1.74 132.00 129.84 3d01 h PRO 136 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3d01 h PRO 136 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3d01 h PRO 136 CO -0.39 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.18 3d01 h GLY 137 N 0.00 0.00 -4.54 -0.55 0.00 -1.00 0.40 103.07 97.38 3d01 h GLY 137 Ca 0.06 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.85 3d01 h GLY 137 CO -0.00 0.00 0.51 0.50 0.00 0.00 0.00 176.54 177.54 3d01 s ARG 138 N -3.27 4.47 0.07 4.80 0.52 -0.66 -4.21 118.95 120.67 3d01 s ARG 138 Ca 0.06 1.55 0.02 0.00 -0.52 0.00 0.00 55.73 56.84 3d01 s ARG 138 Cb 0.10 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 3d01 s ARG 138 CO 0.47 -0.21 -0.07 -3.38 0.02 0.00 0.00 175.30 172.13 3d01 s HIS 139 N 1.38 0.76 0.81 -0.53 -3.43 -1.25 -4.56 115.29 108.46 3d01 s HIS 139 Ca 0.54 -0.70 -0.11 0.00 -0.80 0.00 0.00 55.06 53.99 3d01 s HIS 139 Cb -0.23 -0.45 0.08 0.00 -1.43 0.00 0.00 32.58 30.54 3d01 s HIS 139 CO 0.26 -0.12 1.09 0.00 -2.00 0.00 0.00 174.74 173.97 3d01 s ALA 140 N -2.46 2.04 -0.00 -1.38 0.00 -0.62 -4.92 121.76 114.42 3d01 s ALA 140 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 3d01 s ALA 140 Cb -0.03 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.91 3d01 s ALA 140 CO -0.02 -1.95 0.70 0.50 0.00 0.00 0.00 175.76 174.98 3d01 s ARG 141 N -4.90 1.07 0.03 0.00 3.52 -1.26 -1.53 118.95 115.88 3d01 s ARG 141 Ca 0.62 0.04 0.07 0.00 -0.13 0.00 0.00 55.73 56.33 3d01 s ARG 141 Cb -0.18 0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 3d01 s ARG 141 CO 0.56 -0.38 -0.20 0.00 -0.81 0.00 0.00 175.30 174.48 3d01 s ALA 142 N -1.92 1.65 -0.08 6.12 0.00 -0.80 -4.97 121.76 121.75 3d01 s ALA 142 Ca -0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 3d01 s ALA 142 Cb -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.81 3d01 s ALA 142 CO 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 175.76 176.13 3d01 s ALA 143 N -0.73 0.92 0.03 0.00 0.00 -1.26 -0.48 121.76 120.24 3d01 s ALA 143 Ca 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3d01 s ALA 143 Cb -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 3d01 s ALA 143 CO 0.01 -0.40 0.03 0.14 0.00 0.00 0.00 175.76 175.54 3d01 s VAL 144 N 1.78 0.14 0.45 0.00 -7.23 -0.43 -4.79 120.40 110.32 3d01 s VAL 144 Ca 0.03 -1.14 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3d01 s VAL 144 Cb -0.13 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.09 3d01 s VAL 144 CO -0.06 -0.63 0.62 -0.83 -0.31 0.00 0.00 175.10 173.90 3d01 s GLY 145 N -1.97 1.92 -0.19 2.32 0.00 -1.26 -0.60 107.32 107.53 3d01 s GLY 145 Ca -0.08 -1.62 0.08 0.00 0.00 0.00 0.00 44.72 43.10 3d01 s GLY 145 CO -0.04 -1.41 -0.08 0.00 0.00 0.00 0.00 173.10 171.58 3d01 n ALA 147 N -1.97 1.56 -3.57 3.20 0.00 -1.26 -4.87 120.51 113.60 3d01 n ALA 147 Ca 0.08 -0.99 0.03 0.00 0.00 0.00 0.00 53.44 52.56 3d01 n ALA 147 Cb 0.59 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 3d01 n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3d01 s SER 148 N -5.60 -0.02 0.10 0.00 1.04 -1.26 -4.62 113.70 103.34 3d01 s SER 148 Ca -0.19 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 3d01 s SER 148 Cb 0.06 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 3d01 s SER 148 CO 0.58 -0.09 0.09 -0.76 0.98 0.00 0.00 173.24 174.04 3d01 s LEU 149 N -2.97 1.82 0.21 2.42 1.43 -1.26 -4.92 118.68 115.42 3d01 s LEU 149 Ca 0.15 -0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 51.98 3d01 s LEU 149 Cb 0.07 0.57 -0.15 0.00 0.03 0.00 0.00 46.19 46.70 3d01 s LEU 149 CO -0.06 -0.71 1.15 -2.65 0.23 0.00 0.00 176.35 174.32 3d01 n PRO 150 N -0.03 1.32 -1.50 1.29 -0.02 -1.26 -1.46 135.00 133.34 3d01 n PRO 150 Ca -0.11 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 3d01 n PRO 150 Cb 0.62 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3d01 n PRO 150 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3d01 n PHE 151 N 1.22 0.00 -1.78 6.00 3.72 -1.26 -1.59 117.46 123.77 3d01 n PHE 151 Ca 0.13 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.35 3d01 n PHE 151 Cb 0.27 -3.12 -0.06 0.00 -0.94 0.00 0.00 39.48 35.63 3d01 n PHE 151 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3d01 n ASN 152 N -1.11 -5.17 -4.66 4.37 5.15 -0.53 -4.93 115.26 108.38 3d01 n ASN 152 Ca -0.17 0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 53.69 3d01 n ASN 152 Cb 0.62 -4.24 0.01 0.00 -0.53 0.00 0.00 39.78 35.63 3d01 n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3d01 n ALA 153 N 0.32 0.73 0.17 5.20 0.00 -0.62 -0.82 120.51 125.49 3d01 n ALA 153 Ca -0.19 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.58 3d01 n ALA 153 Cb 0.61 -2.17 0.15 0.00 0.00 0.00 0.00 19.45 18.04 3d01 n ALA 153 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3d01 h SER 154 N 1.95 0.00 -4.23 0.00 0.02 -1.57 -3.38 113.55 106.33 3d01 h SER 154 Ca -0.45 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.35 3d01 h SER 154 Cb 1.31 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.62 3d01 h SER 154 CO 0.59 0.40 -0.38 -0.69 -1.14 0.00 0.00 176.83 175.61 3d01 s VAL 155 N -3.18 0.02 -0.01 2.27 1.01 -1.26 -0.57 120.40 118.69 3d01 s VAL 155 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3d01 s VAL 155 Cb 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3d01 s VAL 155 CO 0.71 -0.11 -0.03 -0.70 0.00 0.00 0.00 175.10 174.98 3d01 s GLU 156 N -0.37 0.27 -0.02 2.72 2.12 -0.30 -4.04 118.70 119.08 3d01 s GLU 156 Ca -0.05 -0.08 -0.00 0.00 0.36 0.00 0.00 54.97 55.21 3d01 s GLU 156 Cb -0.03 -0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.09 3d01 s GLU 156 CO 0.01 0.03 0.03 0.42 -0.54 0.00 0.00 175.26 175.21 3d01 s ILE 157 N 0.15 -0.02 0.42 -3.70 1.01 -0.56 -0.44 121.20 118.06 3d01 s ILE 157 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.91 3d01 s ILE 157 Cb -0.04 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 3d01 s ILE 157 CO -0.00 0.10 0.29 1.51 0.00 0.00 0.00 174.94 176.84 3d01 s ASP 158 N 1.11 4.75 0.03 3.58 1.47 -0.87 -0.73 116.67 126.02 3d01 s ASP 158 Ca -0.09 -0.92 -0.16 0.00 1.18 0.00 0.00 52.55 52.56 3d01 s ASP 158 Cb -0.13 -0.48 0.03 0.00 -0.34 0.00 0.00 42.92 42.00 3d01 s ASP 158 CO -0.03 -0.63 0.36 0.00 0.68 0.00 0.00 175.17 175.55 3d01 s ALA 159 N -2.54 -0.87 -0.09 2.11 0.00 -1.10 -1.95 121.76 117.33 3d01 s ALA 159 Ca 0.44 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.67 3d01 s ALA 159 Cb -0.00 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3d01 s ALA 159 CO 0.25 -0.40 -0.20 0.42 0.00 0.00 0.00 175.76 175.83 3d01 s ILE 160 N -2.24 1.74 -0.06 0.00 1.01 -0.26 -0.26 121.20 121.14 3d01 s ILE 160 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3d01 s ILE 160 Cb -0.02 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.94 3d01 s ILE 160 CO -0.01 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.63 3d01 s VAL 161 N 0.45 0.96 -0.07 2.92 1.01 0.15 -0.72 120.40 125.10 3d01 s VAL 161 Ca -0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 3d01 s VAL 161 Cb -0.17 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3d01 s VAL 161 CO 0.07 0.31 0.80 -0.70 0.00 0.00 0.00 175.10 175.58 3d01 s GLU 162 N 0.66 4.45 0.24 2.72 2.12 0.13 -0.47 118.70 128.55 3d01 s GLU 162 Ca -0.13 1.05 0.08 0.00 0.36 0.00 0.00 54.97 56.33 3d01 s GLU 162 Cb -0.15 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 3d01 s GLU 162 CO 0.03 -0.04 -0.13 0.96 -0.54 0.00 0.00 175.26 175.54 3d01 s ILE 163 N 1.09 1.85 -2.58 -3.70 -4.36 0.16 0.07 121.20 113.73 3d01 s ILE 163 Ca 0.42 -2.22 0.27 0.00 -0.26 0.00 0.00 60.65 58.86 3d01 s ILE 163 Cb -0.18 -2.22 0.49 0.00 1.25 0.00 0.00 42.46 41.80 3d01 s ILE 163 CO 0.20 -0.47 1.67 -0.90 0.24 0.00 0.00 174.94 175.68