#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3li6 n GLU 3 N 0.00 -0.57 0.04 0.00 -0.58 -1.26 -4.96 120.64 113.31 3li6 n GLU 3 Ca 0.00 0.67 -0.13 0.00 -0.42 0.00 0.00 57.16 57.28 3li6 n GLU 3 Cb 0.00 -4.53 -0.09 0.00 -0.57 0.00 0.00 31.44 26.25 3li6 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3li6 h ALA 4 N 0.10 -0.13 -0.55 0.62 0.00 -2.05 -0.88 119.26 116.36 3li6 h ALA 4 Ca -0.17 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3li6 h ALA 4 Cb 0.68 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3li6 h ALA 4 CO 0.23 -0.34 0.30 1.25 0.00 0.00 0.00 179.25 180.69 3li6 h LEU 5 N -0.60 0.44 -1.02 0.00 5.85 -1.99 -1.78 115.31 116.20 3li6 h LEU 5 Ca -0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3li6 h LEU 5 Cb 0.49 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3li6 h LEU 5 CO 0.02 0.30 0.66 0.15 -0.34 0.00 0.00 178.44 179.23 3li6 h PHE 6 N 0.57 1.24 0.00 1.25 3.04 -1.95 -0.42 116.94 120.67 3li6 h PHE 6 Ca 0.24 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.16 3li6 h PHE 6 Cb 0.13 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 3li6 h PHE 6 CO -0.09 0.76 -0.31 0.87 -2.02 0.00 0.00 178.31 177.52 3li6 h LYS 7 N 1.32 0.00 0.06 1.11 1.57 -0.82 -1.68 116.57 118.13 3li6 h LYS 7 Ca 0.37 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.91 3li6 h LYS 7 Cb -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3li6 h LYS 7 CO -0.09 0.31 -1.08 1.49 -0.57 0.00 0.00 179.45 179.51 3li6 h GLU 8 N 0.00 0.29 0.03 3.15 4.81 -0.24 -3.09 114.58 119.52 3li6 h GLU 8 Ca -0.00 -0.39 -0.21 0.00 -0.13 0.00 0.00 59.36 58.62 3li6 h GLU 8 Cb 0.64 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3li6 h GLU 8 CO 0.04 1.13 -0.96 0.82 -0.73 0.00 0.00 179.01 179.31 3li6 h ILE 9 N 0.12 1.52 -0.26 2.32 2.04 -1.26 -3.38 117.51 118.62 3li6 h ILE 9 Ca -0.10 -2.79 -0.66 0.00 1.00 0.00 0.00 64.86 62.31 3li6 h ILE 9 Cb 1.76 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 40.41 3li6 h ILE 9 CO 0.18 0.81 2.60 -0.67 0.00 0.00 0.00 178.15 181.07 3li6 n ASP 10 N -3.60 3.86 0.03 1.72 2.03 -0.64 -4.77 116.55 115.19 3li6 n ASP 10 Ca -0.04 -2.82 0.03 0.00 0.52 0.00 0.00 54.79 52.48 3li6 n ASP 10 Cb 0.86 -1.60 0.41 0.00 -0.72 0.00 0.00 41.12 40.07 3li6 n ASP 10 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3li6 h VAL 11 N 4.65 1.13 -0.02 5.18 2.07 -1.76 -2.16 116.25 125.35 3li6 h VAL 11 Ca 0.49 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3li6 h VAL 11 Cb 0.73 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3li6 h VAL 11 CO 1.74 0.15 -0.00 -0.46 0.02 0.00 0.00 177.57 179.02 3li6 n ASN 12 N -4.41 1.51 -2.74 0.57 0.23 -1.26 -4.97 115.26 104.18 3li6 n ASN 12 Ca 0.02 -1.50 -0.20 0.00 -0.53 0.00 0.00 54.58 52.37 3li6 n ASN 12 Cb 0.13 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.84 3li6 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3li6 n GLY 13 N 1.18 -0.51 0.68 4.83 0.00 -0.81 -4.89 105.19 105.67 3li6 n GLY 13 Ca 0.19 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.38 3li6 n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3li6 n ASP 14 N -2.20 2.05 0.00 1.61 5.75 -1.26 -4.91 116.55 117.59 3li6 n ASP 14 Ca -0.15 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3li6 n ASP 14 Cb 0.63 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3li6 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3li6 n GLY 15 N 1.22 0.42 3.00 6.12 0.00 -1.26 -5.02 105.19 109.67 3li6 n GLY 15 Ca 0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 3li6 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3li6 s ALA 16 N -2.00 -0.43 -0.31 4.61 0.00 -1.26 -5.12 121.76 117.25 3li6 s ALA 16 Ca 0.00 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 3li6 s ALA 16 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3li6 s ALA 16 CO 0.00 -0.17 0.62 0.08 0.00 0.00 0.00 175.76 176.28 3li6 s VAL 17 N 1.14 4.94 0.61 0.00 1.01 -1.26 -4.87 120.40 121.97 3li6 s VAL 17 Ca -0.09 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 3li6 s VAL 17 Cb -0.10 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3li6 s VAL 17 CO -0.07 -0.15 0.89 -0.94 0.00 0.00 0.00 175.10 174.83 3li6 s SER 18 N 1.66 5.28 0.25 3.32 1.04 -1.26 -4.96 113.70 119.03 3li6 s SER 18 Ca 0.25 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 3li6 s SER 18 Cb -0.15 -1.32 0.26 0.00 0.10 0.00 0.00 66.02 64.91 3li6 s SER 18 CO 0.12 -1.23 1.92 0.22 0.98 0.00 0.00 173.24 175.25 3li6 h TYR 19 N -0.22 1.26 -0.69 5.02 3.20 -1.99 -2.05 116.97 121.49 3li6 h TYR 19 Ca -0.44 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.49 3li6 h TYR 19 Cb 1.28 -0.42 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 3li6 h TYR 19 CO 0.40 0.80 0.41 1.49 -1.64 0.00 0.00 178.16 179.63 3li6 h GLU 20 N 1.35 0.77 -0.11 1.82 4.81 -1.99 -0.09 114.58 121.14 3li6 h GLU 20 Ca 0.36 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.39 3li6 h GLU 20 Cb -0.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 3li6 h GLU 20 CO -0.08 0.51 -0.59 0.93 -0.73 0.00 0.00 179.01 179.05 3li6 h GLU 21 N 0.79 0.37 0.07 1.92 5.08 -1.80 0.11 114.58 121.12 3li6 h GLU 21 Ca 0.29 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3li6 h GLU 21 Cb 0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3li6 h GLU 21 CO -0.14 0.85 -0.03 0.28 -1.00 0.00 0.00 179.01 178.97 3li6 h VAL 22 N 0.27 0.96 -0.55 3.13 2.07 -0.99 -0.49 116.25 120.65 3li6 h VAL 22 Ca -0.00 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.49 3li6 h VAL 22 Cb 1.11 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3li6 h VAL 22 CO 0.10 0.03 0.18 0.50 0.02 0.00 0.00 177.57 178.40 3li6 h LYS 23 N -0.15 0.34 -0.44 1.57 3.64 -0.15 -1.95 116.57 119.43 3li6 h LYS 23 Ca -0.01 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 3li6 h LYS 23 Cb 0.12 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3li6 h LYS 23 CO 0.02 0.22 -0.19 0.00 -2.27 0.00 0.00 179.45 177.23 3li6 h ALA 24 N 1.39 0.84 -0.40 5.00 0.00 -0.64 -2.73 119.26 122.71 3li6 h ALA 24 Ca 0.27 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3li6 h ALA 24 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3li6 h ALA 24 CO -0.30 0.64 0.03 0.35 0.00 0.00 0.00 179.25 179.98 3li6 h PHE 25 N 0.76 0.65 -0.08 0.00 3.57 -0.47 -1.15 116.94 120.22 3li6 h PHE 25 Ca 0.11 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 3li6 h PHE 25 Cb 0.72 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3li6 h PHE 25 CO 0.04 0.60 -0.60 0.28 -2.23 0.00 0.00 178.31 176.41 3li6 h VAL 26 N 0.60 1.38 -0.36 1.41 2.07 -1.07 -0.55 116.25 119.73 3li6 h VAL 26 Ca 0.13 -1.95 -0.16 0.00 0.82 0.00 0.00 66.70 65.53 3li6 h VAL 26 Cb 0.33 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3li6 h VAL 26 CO 0.01 0.58 -0.42 0.28 0.02 0.00 0.00 177.57 178.04 3li6 h SER 27 N 0.20 0.97 -0.42 0.57 0.02 -1.31 -0.59 113.55 112.99 3li6 h SER 27 Ca -0.00 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 3li6 h SER 27 Cb 1.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3li6 h SER 27 CO 0.09 1.25 0.16 0.50 -1.14 0.00 0.00 176.83 177.70 3li6 h LYS 28 N 0.73 0.69 -0.09 3.45 3.64 -0.88 -1.84 116.57 122.26 3li6 h LYS 28 Ca 0.05 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 3li6 h LYS 28 Cb 1.01 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3li6 h LYS 28 CO 0.10 0.59 -0.42 0.87 -2.27 0.00 0.00 179.45 178.31 3li6 h LYS 29 N 0.68 0.44 -0.52 1.90 1.57 -0.91 -2.60 116.57 117.12 3li6 h LYS 29 Ca 0.16 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3li6 h LYS 29 Cb 0.18 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3li6 h LYS 29 CO -0.01 0.99 0.25 0.00 -0.57 0.00 0.00 179.45 180.11 3li6 h ARG 30 N 0.00 0.46 -0.44 3.15 3.08 -0.94 -2.07 114.38 117.62 3li6 h ARG 30 Ca -0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3li6 h ARG 30 Cb 1.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 3li6 h ARG 30 CO 0.09 0.31 -0.04 0.00 -1.07 0.00 0.00 179.97 179.25 3li6 h ALA 31 N 1.30 1.09 -0.20 0.04 0.00 -1.37 -1.18 119.26 118.94 3li6 h ALA 31 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3li6 h ALA 31 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3li6 h ALA 31 CO -0.19 0.57 0.04 0.82 0.00 0.00 0.00 179.25 180.49 3li6 h ILE 32 N 0.70 1.22 -0.54 0.00 2.04 -1.24 -0.32 117.51 119.37 3li6 h ILE 32 Ca 0.13 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.35 3li6 h ILE 32 Cb 0.49 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 3li6 h ILE 32 CO 0.03 0.22 0.23 0.50 0.00 0.00 0.00 178.15 179.13 3li6 h LYS 33 N 0.14 0.42 -0.53 2.37 1.63 -1.18 0.15 116.57 119.57 3li6 h LYS 33 Ca 0.06 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.87 3li6 h LYS 33 Cb 0.30 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 3li6 h LYS 33 CO 0.00 0.28 0.30 -0.97 -3.45 0.00 0.00 179.45 175.61 3li6 h ASN 34 N 0.44 0.46 -0.63 4.20 -0.73 -1.09 -1.48 115.58 116.74 3li6 h ASN 34 Ca 0.26 0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.46 3li6 h ASN 34 Cb 0.24 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 3li6 h ASN 34 CO -0.23 0.32 0.42 -0.33 -0.37 0.00 0.00 177.43 177.24 3li6 h GLU 35 N 0.58 0.80 0.18 6.67 4.39 -0.46 -1.65 114.58 125.10 3li6 h GLU 35 Ca 0.23 -0.05 -0.32 0.00 0.34 0.00 0.00 59.36 59.56 3li6 h GLU 35 Cb 0.08 -0.18 0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3li6 h GLU 35 CO -0.13 0.53 -1.36 1.96 -1.16 0.00 0.00 179.01 178.85 3li6 h GLN 36 N 0.82 0.57 0.42 2.33 1.08 -0.33 -2.08 115.11 117.92 3li6 h GLN 36 Ca 0.24 -0.86 -0.02 0.00 -1.45 0.00 0.00 58.65 56.55 3li6 h GLN 36 Cb -0.04 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3li6 h GLN 36 CO -0.06 1.40 -0.20 1.25 -0.95 0.00 0.00 178.83 180.28 3li6 h LEU 37 N 0.21 -0.47 -1.34 1.46 5.85 -1.22 -2.58 115.31 117.22 3li6 h LEU 37 Ca -0.22 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.54 3li6 h LEU 37 Cb 2.04 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 43.13 3li6 h LEU 37 CO 0.26 -0.22 0.53 0.25 -0.34 0.00 0.00 178.44 178.91 3li6 h LEU 38 N -0.71 0.66 -0.66 2.25 6.46 -1.39 -0.28 115.31 121.64 3li6 h LEU 38 Ca -0.06 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3li6 h LEU 38 Cb 0.51 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3li6 h LEU 38 CO 0.09 0.38 0.00 -0.61 -0.62 0.00 0.00 178.44 177.69 3li6 h GLN 39 N 0.72 0.00 0.09 1.25 5.75 -1.27 0.71 115.11 122.36 3li6 h GLN 39 Ca 0.38 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.54 3li6 h GLN 39 Cb 0.50 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 3li6 h GLN 39 CO -0.15 0.00 -1.88 1.25 -2.65 0.00 0.00 178.83 175.40 3li6 h LEU 40 N 0.00 0.29 0.13 -2.39 5.85 -0.70 -2.24 115.31 116.25 3li6 h LEU 40 Ca 0.00 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 3li6 h LEU 40 Cb 0.67 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3li6 h LEU 40 CO 0.00 1.56 -0.06 0.40 -0.34 0.00 0.00 178.44 180.00 3li6 h ILE 41 N 0.05 1.02 -0.56 4.05 2.04 -1.05 -1.62 117.51 121.43 3li6 h ILE 41 Ca -0.37 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3li6 h ILE 41 Cb 2.03 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 3li6 h ILE 41 CO 0.09 0.14 0.35 0.15 0.00 0.00 0.00 178.15 178.88 3li6 h PHE 42 N -0.45 0.73 -0.90 1.37 3.57 -0.99 -0.50 116.94 119.77 3li6 h PHE 42 Ca -0.02 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3li6 h PHE 42 Cb 0.36 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 3li6 h PHE 42 CO 0.02 0.50 0.58 -0.22 -2.23 0.00 0.00 178.31 176.96 3li6 h LYS 43 N 0.76 0.88 -0.28 1.11 3.64 -1.42 0.20 116.57 121.46 3li6 h LYS 43 Ca 0.20 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 3li6 h LYS 43 Cb -0.03 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3li6 h LYS 43 CO -0.04 0.58 -0.53 1.03 -2.27 0.00 0.00 179.45 178.22 3li6 h SER 44 N 0.91 0.92 0.35 4.20 0.87 -0.11 -2.77 113.55 117.91 3li6 h SER 44 Ca 0.42 -0.49 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 3li6 h SER 44 Cb 0.40 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3li6 h SER 44 CO -0.18 1.27 -0.63 0.40 -0.53 0.00 0.00 176.83 177.16 3li6 h ILE 45 N 0.64 1.39 0.00 2.23 2.04 -0.78 -3.35 117.51 119.68 3li6 h ILE 45 Ca 0.02 -2.02 -0.48 0.00 1.00 0.00 0.00 64.86 63.37 3li6 h ILE 45 Cb 1.13 2.03 0.03 0.00 -0.74 0.00 0.00 36.82 39.27 3li6 h ILE 45 CO 0.12 0.60 2.44 -0.67 0.00 0.00 0.00 178.15 180.63 3li6 n ASP 46 N -3.86 3.76 0.23 1.72 2.03 0.67 -4.71 116.55 116.39 3li6 n ASP 46 Ca -0.03 -2.47 0.16 0.00 0.52 0.00 0.00 54.79 52.98 3li6 n ASP 46 Cb 0.64 -1.09 0.78 0.00 -0.72 0.00 0.00 41.12 40.73 3li6 n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3li6 h ALA 47 N 7.03 1.00 -0.33 -1.67 0.00 -1.75 0.89 119.26 124.43 3li6 h ALA 47 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3li6 h ALA 47 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3li6 h ALA 47 CO 1.65 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 180.50 3li6 n ASP 48 N -2.64 2.94 -4.17 0.00 5.68 -1.26 -5.00 116.55 112.10 3li6 n ASP 48 Ca -0.01 -1.89 -0.32 0.00 -0.50 0.00 0.00 54.79 52.07 3li6 n ASP 48 Cb 0.13 -0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 39.85 3li6 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3li6 n GLY 49 N 0.84 -0.31 1.27 6.12 0.00 0.31 -4.85 105.19 108.57 3li6 n GLY 49 Ca 0.13 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3li6 n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3li6 n ASN 50 N -2.80 3.72 0.00 1.61 6.94 -1.26 -4.97 115.26 118.50 3li6 n ASN 50 Ca -0.13 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 3li6 n ASN 50 Cb 0.59 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3li6 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3li6 n GLY 51 N 1.60 0.22 3.08 4.83 0.00 -1.26 -5.05 105.19 108.61 3li6 n GLY 51 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 3li6 n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3li6 s GLU 52 N -0.96 0.58 -0.30 1.61 4.04 -1.26 -5.13 118.70 117.28 3li6 s GLU 52 Ca 0.00 -0.96 -0.10 0.00 0.04 0.00 0.00 54.97 53.95 3li6 s GLU 52 Cb 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 34.13 34.03 3li6 s GLU 52 CO 0.00 -0.02 0.17 0.42 -1.84 0.00 0.00 175.26 173.99 3li6 s ILE 53 N -2.43 4.85 0.77 1.83 1.01 -1.26 -4.85 121.20 121.13 3li6 s ILE 53 Ca -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3li6 s ILE 53 Cb -0.03 -3.42 0.15 0.00 0.01 0.00 0.00 42.46 39.18 3li6 s ILE 53 CO -0.03 0.13 1.06 1.51 0.00 0.00 0.00 174.94 177.61 3li6 s ASP 54 N 1.67 4.06 0.33 3.58 1.47 -1.26 -4.83 116.67 121.69 3li6 s ASP 54 Ca 0.06 -0.38 0.11 0.00 1.18 0.00 0.00 52.55 53.52 3li6 s ASP 54 Cb -0.17 0.12 0.57 0.00 -0.34 0.00 0.00 42.92 43.11 3li6 s ASP 54 CO 0.08 -2.07 1.74 1.56 0.68 0.00 0.00 175.17 177.16 3li6 h GLN 55 N -0.73 0.02 -0.21 2.11 4.20 -1.98 0.61 115.11 119.12 3li6 h GLN 55 Ca -0.36 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.23 3li6 h GLN 55 Cb 1.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 3li6 h GLN 55 CO 0.37 0.48 -0.30 -0.91 -0.67 0.00 0.00 178.83 177.80 3li6 h ASN 56 N 0.01 0.62 -0.36 1.46 2.35 -1.98 0.12 115.58 117.81 3li6 h ASN 56 Ca -0.00 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.22 3li6 h ASN 56 Cb 0.83 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3li6 h ASN 56 CO 0.06 1.01 0.17 -0.33 -1.65 0.00 0.00 177.43 176.69 3li6 h GLU 57 N 0.25 0.52 -0.98 0.81 5.08 -1.84 -0.74 114.58 117.67 3li6 h GLU 57 Ca 0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3li6 h GLU 57 Cb 0.87 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3li6 h GLU 57 CO 0.07 0.48 0.65 0.35 -1.00 0.00 0.00 179.01 179.56 3li6 h PHE 58 N 0.44 1.23 -0.22 4.33 3.57 -0.79 -2.20 116.94 123.30 3li6 h PHE 58 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3li6 h PHE 58 Cb 0.13 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3li6 h PHE 58 CO -0.01 0.77 0.04 0.00 -2.23 0.00 0.00 178.31 176.88 3li6 h ALA 59 N 1.36 0.30 -0.41 2.41 0.00 -0.47 0.13 119.26 122.58 3li6 h ALA 59 Ca 0.36 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3li6 h ALA 59 Cb -0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.48 3li6 h ALA 59 CO -0.08 -0.03 -0.15 0.87 0.00 0.00 0.00 179.25 179.86 3li6 h LYS 60 N 0.17 -0.06 0.33 0.00 1.57 -0.97 0.41 116.57 118.02 3li6 h LYS 60 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3li6 h LYS 60 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3li6 h LYS 60 CO 0.00 -0.04 -0.16 0.35 -0.57 0.00 0.00 179.45 179.04 3li6 h PHE 61 N -0.06 -0.41 -0.51 -1.35 3.57 -0.83 -3.19 116.94 114.16 3li6 h PHE 61 Ca 0.20 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 3li6 h PHE 61 Cb 0.37 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3li6 h PHE 61 CO -0.40 -0.16 -0.13 -0.92 -2.23 0.00 0.00 178.31 174.47 3li6 h TYR 62 N -0.59 1.12 0.00 0.41 3.20 -0.67 -2.35 116.97 118.09 3li6 h TYR 62 Ca -0.05 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3li6 h TYR 62 Cb 0.43 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3li6 h TYR 62 CO -0.02 1.05 0.00 0.41 -1.64 0.00 0.00 178.16 177.97 3li6 n GLY 63 N -0.22 -0.31 2.43 1.82 0.00 0.12 -2.67 105.19 106.36 3li6 n GLY 63 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3li6 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3li6 n SER 64 N -0.58 2.95 0.00 1.61 7.64 -0.88 -5.03 113.62 119.33 3li6 n SER 64 Ca 0.01 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.12 3li6 n SER 64 Cb 0.01 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3li6 n SER 64 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33