#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id3 h ARG 19 N 0.00 0.40 -3.50 1.57 1.12 -2.14 -3.36 114.38 108.47 1id3 h ARG 19 Ca 0.00 -0.07 -0.78 0.00 -1.11 0.00 0.00 59.98 58.02 1id3 h ARG 19 Cb 0.00 -0.06 -0.30 0.00 -0.01 0.00 0.00 29.97 29.60 1id3 h ARG 19 CO 0.00 0.43 0.35 0.36 -3.11 0.00 0.00 179.97 178.01 1id3 n LYS 20 N -4.32 3.38 -3.85 0.20 2.85 -1.26 -5.01 118.16 110.15 1id3 n LYS 20 Ca 0.01 -4.47 -0.12 0.00 -1.05 0.00 0.00 58.31 52.68 1id3 n LYS 20 Cb 0.22 -2.52 -0.12 0.00 -0.65 0.00 0.00 35.03 31.96 1id3 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1id3 s ILE 21 N -1.34 0.04 0.00 0.58 1.01 -1.26 -5.15 121.20 115.07 1id3 s ILE 21 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1id3 s ILE 21 Cb -0.09 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1id3 s ILE 21 CO -0.09 -0.16 0.00 0.18 0.00 0.00 0.00 174.94 174.87 1id3 n LEU 22 N 2.40 0.00 -3.73 2.97 4.77 -1.26 -5.16 117.00 116.99 1id3 n LEU 22 Ca -0.17 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 1id3 n LEU 22 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1id3 n LEU 22 CO 0.21 0.00 0.32 -0.13 -1.33 0.00 0.00 177.39 176.46 1id3 s ARG 23 N 1.62 1.45 0.63 3.23 0.52 -1.26 -5.16 118.95 119.97 1id3 s ARG 23 Ca 0.00 -0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 54.26 1id3 s ARG 23 Cb 0.00 0.54 -0.01 0.00 0.52 0.00 0.00 34.95 36.00 1id3 s ARG 23 CO 0.00 -0.63 1.00 -0.51 0.02 0.00 0.00 175.30 175.19 1id3 s ASP 24 N -2.87 5.85 -0.24 0.23 1.11 -1.26 -5.05 116.67 114.43 1id3 s ASP 24 Ca 0.09 1.13 0.10 0.00 0.18 0.00 0.00 52.55 54.05 1id3 s ASP 24 Cb -0.02 -2.12 0.44 0.00 1.07 0.00 0.00 42.92 42.29 1id3 s ASP 24 CO -0.02 -1.03 1.21 0.59 1.18 0.00 0.00 175.17 177.09 1id3 n ASN 25 N -2.75 3.11 0.20 0.27 4.13 -1.26 -4.70 115.26 114.26 1id3 n ASN 25 Ca 0.05 -3.80 0.14 0.00 1.68 0.00 0.00 54.58 52.65 1id3 n ASN 25 Cb 0.56 -0.44 0.45 0.00 -1.54 0.00 0.00 39.78 38.81 1id3 n ASN 25 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1id3 h ILE 26 N 1.63 0.00 -0.04 2.41 6.09 -1.99 -1.20 117.51 124.41 1id3 h ILE 26 Ca 0.16 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1id3 h ILE 26 Cb 1.25 1.55 0.00 0.00 0.47 0.00 0.00 36.82 40.09 1id3 h ILE 26 CO 0.34 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.42 1id3 n GLN 27 N -2.79 1.17 0.02 2.19 1.13 -1.26 -2.59 117.38 115.24 1id3 n GLN 27 Ca 0.03 -0.26 0.12 0.00 -1.94 0.00 0.00 57.00 54.95 1id3 n GLN 27 Cb 0.38 -1.31 0.53 0.00 0.11 0.00 0.00 30.24 29.95 1id3 n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1id3 n GLY 28 N 0.87 -1.41 3.41 1.08 0.00 -0.45 -4.16 105.19 104.53 1id3 n GLY 28 Ca 0.14 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1id3 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1id3 s ILE 29 N -3.02 5.02 0.52 -0.61 -1.09 -1.07 -5.00 121.20 115.95 1id3 s ILE 29 Ca 0.12 -1.91 -0.22 0.00 -2.23 0.00 0.00 60.65 56.41 1id3 s ILE 29 Cb 0.16 -4.69 -0.06 0.00 -1.58 0.00 0.00 42.46 36.29 1id3 s ILE 29 CO 0.48 -1.37 1.35 0.42 -1.23 0.00 0.00 174.94 174.58 1id3 s THR 30 N 1.85 2.19 0.28 2.92 -4.23 -1.26 -4.82 115.64 112.56 1id3 s THR 30 Ca 0.29 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 1id3 s THR 30 Cb -0.06 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 70.97 1id3 s THR 30 CO -0.09 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.24 1id3 h LYS 31 N 1.66 0.58 -0.42 3.99 3.64 -1.94 0.22 116.57 124.30 1id3 h LYS 31 Ca -0.51 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1id3 h LYS 31 Cb 1.29 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1id3 h LYS 31 CO 0.58 0.39 0.20 -1.35 -2.27 0.00 0.00 179.45 177.00 1id3 h PRO 32 N 0.60 0.57 0.67 1.90 0.11 -1.99 -0.95 132.00 132.91 1id3 h PRO 32 Ca 0.51 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 1id3 h PRO 32 Cb 0.81 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.81 1id3 h PRO 32 CO -0.41 0.45 -0.32 0.00 -0.21 0.00 0.00 178.00 177.51 1id3 h ALA 33 N 1.64 -0.92 -0.81 -0.75 0.00 -0.96 -1.87 119.26 115.59 1id3 h ALA 33 Ca 0.15 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.06 1id3 h ALA 33 Cb 0.06 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.07 1id3 h ALA 33 CO -0.02 -0.86 0.12 0.82 0.00 0.00 0.00 179.25 179.31 1id3 h ILE 34 N -1.22 0.34 -0.69 0.00 2.04 -1.24 0.88 117.51 117.63 1id3 h ILE 34 Ca -0.09 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.82 1id3 h ILE 34 Cb 0.69 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 1id3 h ILE 34 CO 0.15 0.03 0.30 -0.09 0.00 0.00 0.00 178.15 178.54 1id3 h ARG 35 N 0.16 0.49 -0.07 2.37 2.43 -1.09 -2.23 114.38 116.43 1id3 h ARG 35 Ca 0.48 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.63 1id3 h ARG 35 Cb 0.90 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1id3 h ARG 35 CO -0.65 0.32 -0.02 0.00 -1.51 0.00 0.00 179.97 178.11 1id3 h ARG 36 N 0.50 0.00 0.10 0.20 3.08 0.16 -1.17 114.38 117.25 1id3 h ARG 36 Ca 0.35 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.41 1id3 h ARG 36 Cb 0.43 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1id3 h ARG 36 CO -0.31 0.00 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.21 1id3 h LEU 37 N 0.00 -0.93 -1.82 3.04 3.38 -0.76 0.73 115.31 118.94 1id3 h LEU 37 Ca 0.03 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1id3 h LEU 37 Cb 0.05 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1id3 h LEU 37 CO -0.07 -0.34 0.50 0.00 0.09 0.00 0.00 178.44 178.62 1id3 h ALA 38 N -0.99 1.95 -0.09 1.53 0.00 -1.37 0.44 119.26 120.73 1id3 h ALA 38 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1id3 h ALA 38 Cb 0.46 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1id3 h ALA 38 CO -0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 179.25 178.32 1id3 h ARG 39 N 0.00 0.23 0.00 0.00 2.47 0.37 0.94 114.38 118.40 1id3 h ARG 39 Ca 0.15 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1id3 h ARG 39 Cb 1.15 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1id3 h ARG 39 CO -0.00 0.68 -0.01 -0.09 0.56 0.00 0.00 179.97 181.11 1id3 h ARG 40 N -0.20 0.00 -0.49 0.04 2.43 0.13 -0.16 114.38 116.13 1id3 h ARG 40 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1id3 h ARG 40 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1id3 h ARG 40 CO 0.03 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.90 1id3 n GLY 41 N -0.25 1.30 2.08 2.80 0.00 -0.29 -4.92 105.19 105.91 1id3 n GLY 41 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1id3 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1id3 n GLY 42 N 1.23 0.56 3.75 -0.02 0.00 -0.07 -5.00 105.19 105.63 1id3 n GLY 42 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1id3 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1id3 s VAL 43 N -2.21 3.78 -0.11 1.61 1.01 0.32 -4.93 120.40 119.87 1id3 s VAL 43 Ca 0.00 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1id3 s VAL 43 Cb 0.00 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1id3 s VAL 43 CO 0.00 0.35 -0.05 1.17 0.00 0.00 0.00 175.10 176.57 1id3 n LYS 44 N 1.78 1.13 -4.02 2.72 4.81 -1.26 -4.33 118.16 118.98 1id3 n LYS 44 Ca 0.00 0.04 -0.31 0.00 -0.87 0.00 0.00 58.31 57.18 1id3 n LYS 44 Cb 0.46 -1.25 -0.16 0.00 0.02 0.00 0.00 35.03 34.10 1id3 n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1id3 s ARG 45 N -2.24 2.20 -0.31 1.64 3.52 -1.26 -5.11 118.95 117.38 1id3 s ARG 45 Ca -0.12 -0.88 -0.08 0.00 -0.13 0.00 0.00 55.73 54.52 1id3 s ARG 45 Cb 0.04 -2.47 0.01 0.00 -1.56 0.00 0.00 34.95 30.97 1id3 s ARG 45 CO 0.33 -0.40 0.11 0.42 -0.81 0.00 0.00 175.30 174.94 1id3 s ILE 46 N 1.35 4.11 0.32 4.11 1.01 -1.26 -5.08 121.20 125.76 1id3 s ILE 46 Ca -0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1id3 s ILE 46 Cb -0.16 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 1id3 s ILE 46 CO -0.09 -0.01 1.26 -0.55 0.00 0.00 0.00 174.94 175.56 1id3 s SER 47 N 1.51 6.87 0.65 3.58 0.15 -1.26 -4.91 113.70 120.29 1id3 s SER 47 Ca 0.02 2.60 0.32 0.00 0.70 0.00 0.00 55.95 59.59 1id3 s SER 47 Cb -0.18 -2.64 1.77 0.00 -1.71 0.00 0.00 66.02 63.25 1id3 s SER 47 CO 0.04 -0.45 2.02 1.23 1.20 0.00 0.00 173.24 177.27 1id3 h GLY 48 N 3.46 0.00 1.88 9.45 0.00 -2.05 -1.80 103.07 114.01 1id3 h GLY 48 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1id3 h GLY 48 CO 0.66 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.24 1id3 n LEU 49 N -3.09 0.00 -0.03 3.11 4.77 -1.26 -3.76 117.00 116.75 1id3 n LEU 49 Ca -0.01 0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 56.30 1id3 n LEU 49 Cb 0.34 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1id3 n LEU 49 CO 0.17 -0.01 0.86 0.40 -1.33 0.00 0.00 177.39 177.48 1id3 h ILE 50 N 0.00 1.12 -0.06 -0.08 1.08 -1.70 -3.07 117.51 114.80 1id3 h ILE 50 Ca 0.00 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1id3 h ILE 50 Cb 0.42 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1id3 h ILE 50 CO 0.00 0.10 -0.39 1.88 -0.69 0.00 0.00 178.15 179.05 1id3 h TYR 51 N 0.09 -1.17 0.00 1.37 -1.99 -1.78 1.16 116.97 114.65 1id3 h TYR 51 Ca 0.05 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 1id3 h TYR 51 Cb 0.11 0.52 -0.00 0.00 2.00 0.00 0.00 36.73 39.36 1id3 h TYR 51 CO -0.03 -0.40 -0.02 0.93 -0.00 0.00 0.00 178.16 178.64 1id3 h GLU 52 N -0.45 0.00 0.11 4.88 4.39 -1.82 0.38 114.58 122.07 1id3 h GLU 52 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1id3 h GLU 52 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1id3 h GLU 52 CO -0.30 0.02 -0.06 1.49 -1.16 0.00 0.00 179.01 179.00 1id3 h GLU 53 N 0.00 -0.15 -0.73 2.33 4.57 -0.69 -0.33 114.58 119.58 1id3 h GLU 53 Ca -0.00 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1id3 h GLU 53 Cb 0.03 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 1id3 h GLU 53 CO 0.00 0.21 0.40 0.28 -1.18 0.00 0.00 179.01 178.72 1id3 h VAL 54 N -0.54 0.92 -0.31 0.32 2.07 0.23 -0.92 116.25 118.02 1id3 h VAL 54 Ca -0.02 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1id3 h VAL 54 Cb 0.43 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1id3 h VAL 54 CO 0.03 0.13 0.17 0.03 0.02 0.00 0.00 177.57 177.95 1id3 h ARG 55 N 0.70 0.35 -0.43 1.57 3.08 -0.86 0.14 114.38 118.92 1id3 h ARG 55 Ca 0.34 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.46 1id3 h ARG 55 Cb 0.29 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.17 1id3 h ARG 55 CO -0.23 0.23 -0.16 0.00 -1.07 0.00 0.00 179.97 178.74 1id3 h ALA 56 N 1.15 0.19 0.56 0.04 0.00 0.31 -0.75 119.26 120.76 1id3 h ALA 56 Ca 0.13 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1id3 h ALA 56 Cb 0.02 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1id3 h ALA 56 CO -0.07 -0.51 -0.27 0.28 0.00 0.00 0.00 179.25 178.68 1id3 h VAL 57 N -0.07 0.00 -0.97 0.00 2.07 -0.91 -2.95 116.25 113.42 1id3 h VAL 57 Ca 0.21 -0.10 0.35 0.00 0.82 0.00 0.00 66.70 67.99 1id3 h VAL 57 Cb 0.39 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.99 1id3 h VAL 57 CO -0.48 0.00 0.33 -0.11 0.02 0.00 0.00 177.57 177.33 1id3 n LEU 58 N -4.30 0.17 0.32 2.57 7.94 0.44 -0.96 117.00 123.18 1id3 n LEU 58 Ca -0.09 1.63 -0.15 0.00 -1.11 0.00 0.00 56.01 56.29 1id3 n LEU 58 Cb 0.30 -0.72 -0.08 0.00 0.53 0.00 0.00 43.42 43.46 1id3 n LEU 58 CO 0.23 -1.76 0.52 0.50 -1.11 0.00 0.00 177.39 175.77 1id3 h LYS 59 N 0.00 -0.88 0.00 1.96 3.64 -0.98 -2.38 116.57 117.93 1id3 h LYS 59 Ca 0.74 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.18 1id3 h LYS 59 Cb 1.81 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 1id3 h LYS 59 CO -0.81 -0.59 0.00 -1.13 -2.27 0.00 0.00 179.45 174.65 1id3 n SER 60 N -4.77 0.00 -0.03 4.20 3.41 -0.14 -0.29 113.62 116.01 1id3 n SER 60 Ca -0.11 0.39 -0.01 0.00 -0.26 0.00 0.00 58.87 58.89 1id3 n SER 60 Cb 0.38 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1id3 n SER 60 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1id3 h PHE 61 N 0.00 -0.05 -0.49 7.33 3.57 -0.88 -2.44 116.94 123.98 1id3 h PHE 61 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1id3 h PHE 61 Cb 0.06 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 1id3 h PHE 61 CO 0.00 -0.03 0.09 -0.07 -2.23 0.00 0.00 178.31 176.07 1id3 h LEU 62 N -0.97 -0.02 -0.28 0.59 3.38 -1.05 0.24 115.31 117.20 1id3 h LEU 62 Ca -0.00 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1id3 h LEU 62 Cb 0.04 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1id3 h LEU 62 CO 0.01 0.02 -0.21 -0.33 0.09 0.00 0.00 178.44 178.02 1id3 h GLU 63 N 0.22 -0.18 -0.53 1.13 5.08 -0.78 0.96 114.58 120.49 1id3 h GLU 63 Ca 0.25 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1id3 h GLU 63 Cb 0.34 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1id3 h GLU 63 CO -0.33 -0.12 0.34 0.77 -1.00 0.00 0.00 179.01 178.67 1id3 h SER 64 N -0.19 0.58 -0.19 1.42 0.02 -0.54 -1.78 113.55 112.87 1id3 h SER 64 Ca 0.15 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.93 1id3 h SER 64 Cb 0.42 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1id3 h SER 64 CO -0.39 0.41 -0.54 0.58 -1.14 0.00 0.00 176.83 175.75 1id3 h VAL 65 N 0.69 1.31 0.15 2.27 2.07 0.38 -3.20 116.25 119.92 1id3 h VAL 65 Ca 0.20 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.97 1id3 h VAL 65 Cb -0.04 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1id3 h VAL 65 CO -0.06 0.55 -0.21 0.40 0.02 0.00 0.00 177.57 178.27 1id3 h ILE 66 N 0.40 0.53 0.00 4.57 1.08 0.11 0.22 117.51 124.42 1id3 h ILE 66 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1id3 h ILE 66 Cb 1.15 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1id3 h ILE 66 CO 0.12 0.00 0.00 -1.14 -0.69 0.00 0.00 178.15 176.44 1id3 n ARG 67 N -5.34 0.00 -0.29 2.37 0.63 -0.68 0.90 116.66 114.25 1id3 n ARG 67 Ca -0.07 0.65 0.11 0.00 -0.92 0.00 0.00 57.85 57.62 1id3 n ARG 67 Cb 0.25 -1.15 0.27 0.00 0.45 0.00 0.00 32.46 32.28 1id3 n ARG 67 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1id3 h ASP 68 N 0.00 0.16 -0.94 6.15 5.19 -1.55 0.12 116.42 125.56 1id3 h ASP 68 Ca 0.00 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1id3 h ASP 68 Cb 0.00 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 1id3 h ASP 68 CO 0.00 -0.05 0.61 0.77 -3.12 0.00 0.00 179.24 177.45 1id3 h SER 69 N 0.32 1.09 0.14 6.45 4.64 0.10 -2.39 113.55 123.89 1id3 h SER 69 Ca 0.52 -0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 61.57 1id3 h SER 69 Cb 0.97 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1id3 h SER 69 CO -0.55 0.80 -0.93 0.58 -0.87 0.00 0.00 176.83 175.85 1id3 h VAL 70 N 1.27 1.34 -0.54 0.95 2.07 0.30 -2.69 116.25 118.95 1id3 h VAL 70 Ca 0.34 -2.27 0.16 0.00 0.82 0.00 0.00 66.70 65.75 1id3 h VAL 70 Cb -0.13 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1id3 h VAL 70 CO -0.07 0.69 0.79 0.74 0.02 0.00 0.00 177.57 179.74 1id3 h THR 71 N 0.34 0.14 0.11 2.57 2.02 -0.63 0.81 112.91 118.27 1id3 h THR 71 Ca -0.09 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 1id3 h THR 71 Cb 1.56 0.33 0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1id3 h THR 71 CO 0.17 0.00 -0.66 1.88 0.37 0.00 0.00 175.52 177.28 1id3 h TYR 72 N 0.00 0.45 -0.11 3.16 0.99 -1.26 -2.91 116.97 117.28 1id3 h TYR 72 Ca 0.26 -0.33 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1id3 h TYR 72 Cb 1.83 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 39.53 1id3 h TYR 72 CO 0.00 1.25 0.06 1.15 -0.00 0.00 0.00 178.16 180.62 1id3 h THR 73 N -0.48 1.07 -0.75 -2.88 2.02 0.57 -1.16 112.91 111.31 1id3 h THR 73 Ca -0.11 -0.19 0.14 0.00 0.77 0.00 0.00 66.41 67.02 1id3 h THR 73 Cb 1.52 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 1id3 h THR 73 CO 0.12 0.06 0.50 -0.33 0.37 0.00 0.00 175.52 176.25 1id3 h GLU 74 N 0.10 0.41 -0.00 6.66 5.08 -1.05 0.69 114.58 126.47 1id3 h GLU 74 Ca 0.04 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1id3 h GLU 74 Cb 0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1id3 h GLU 74 CO -0.01 0.27 -0.79 1.25 -1.00 0.00 0.00 179.01 178.73 1id3 h HIS 75 N 0.42 0.10 0.00 4.33 2.76 -1.14 -2.46 115.15 119.17 1id3 h HIS 75 Ca 0.36 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1id3 h HIS 75 Cb 0.82 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.77 1id3 h HIS 75 CO -0.00 0.83 0.00 0.00 -1.30 0.00 0.00 177.93 177.46 1id3 n ALA 76 N -2.42 2.48 -0.89 5.26 0.00 0.15 -4.83 120.51 120.27 1id3 n ALA 76 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1id3 n ALA 76 Cb 0.76 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1id3 n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1id3 n LYS 77 N -1.12 -0.80 -1.95 0.00 5.02 -0.72 -4.97 118.16 113.62 1id3 n LYS 77 Ca 0.18 0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 1id3 n LYS 77 Cb 0.15 -4.07 0.13 0.00 -0.02 0.00 0.00 35.03 31.22 1id3 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1id3 s ARG 78 N -1.03 1.39 -0.01 1.97 0.52 -0.94 -4.99 118.95 115.86 1id3 s ARG 78 Ca 0.00 -0.17 0.24 0.00 -0.52 0.00 0.00 55.73 55.28 1id3 s ARG 78 Cb 0.00 -1.93 0.40 0.00 0.52 0.00 0.00 34.95 33.94 1id3 s ARG 78 CO 0.00 -1.93 1.16 1.17 0.02 0.00 0.00 175.30 175.72 1id3 n LYS 79 N -3.48 0.06 -3.54 3.54 4.81 -1.26 -4.38 118.16 113.91 1id3 n LYS 79 Ca 0.11 -1.99 -0.25 0.00 -0.87 0.00 0.00 58.31 55.32 1id3 n LYS 79 Cb 0.60 -0.09 -0.15 0.00 0.02 0.00 0.00 35.03 35.41 1id3 n LYS 79 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1id3 s THR 80 N -0.13 -0.16 -0.31 3.15 2.01 -1.26 -5.10 115.64 113.84 1id3 s THR 80 Ca 0.32 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 1id3 s THR 80 Cb 0.36 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1id3 s THR 80 CO -0.16 -0.46 2.13 -0.69 -0.69 0.00 0.00 174.62 174.76 1id3 s VAL 81 N 2.18 3.14 0.69 3.82 1.01 -1.26 -4.97 120.40 125.01 1id3 s VAL 81 Ca 0.06 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1id3 s VAL 81 Cb -0.16 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 33.16 1id3 s VAL 81 CO -0.23 -0.16 0.94 0.35 0.00 0.00 0.00 175.10 176.01 1id3 n THR 82 N 7.69 0.00 0.04 3.92 -2.24 -1.26 -4.97 114.28 117.46 1id3 n THR 82 Ca 0.29 -0.76 -0.22 0.00 -2.27 0.00 0.00 64.05 61.09 1id3 n THR 82 Cb 0.47 -1.58 -0.14 0.00 -2.10 0.00 0.00 70.33 66.98 1id3 n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1id3 h SER 83 N -1.19 0.51 0.00 3.42 0.02 -1.93 -3.06 113.55 111.33 1id3 h SER 83 Ca -0.31 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.74 1id3 h SER 83 Cb 0.86 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1id3 h SER 83 CO 0.22 1.79 0.00 0.18 -1.14 0.00 0.00 176.83 177.88 1id3 n LEU 84 N -3.53 0.00 -0.11 5.07 4.77 -1.26 0.20 117.00 122.14 1id3 n LEU 84 Ca -0.27 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.48 1id3 n LEU 84 Cb 1.06 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.05 1id3 n LEU 84 CO 0.48 0.00 -0.75 -0.67 -1.33 0.00 0.00 177.39 175.12 1id3 n ASP 85 N -0.62 1.88 -0.22 -1.43 2.03 -1.16 -2.78 116.55 114.25 1id3 n ASP 85 Ca 0.02 0.41 -0.07 0.00 0.52 0.00 0.00 54.79 55.67 1id3 n ASP 85 Cb 0.01 -0.92 0.03 0.00 -0.72 0.00 0.00 41.12 39.52 1id3 n ASP 85 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1id3 h VAL 86 N -1.00 1.23 0.67 5.18 2.07 -0.79 -2.59 116.25 121.02 1id3 h VAL 86 Ca -0.42 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1id3 h VAL 86 Cb 1.35 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1id3 h VAL 86 CO -0.25 0.29 -0.36 0.58 0.02 0.00 0.00 177.57 177.85 1id3 h VAL 87 N 0.87 0.27 -0.42 2.57 2.07 -0.41 -0.04 116.25 121.17 1id3 h VAL 87 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1id3 h VAL 87 Cb 0.22 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1id3 h VAL 87 CO -0.02 0.00 0.28 1.88 0.02 0.00 0.00 177.57 179.73 1id3 h TYR 88 N -0.95 0.44 -0.33 1.57 0.99 -1.54 0.14 116.97 117.29 1id3 h TYR 88 Ca -0.09 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1id3 h TYR 88 Cb 0.75 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 1id3 h TYR 88 CO -0.06 0.26 0.07 0.00 -0.00 0.00 0.00 178.16 178.43 1id3 h ALA 89 N 1.76 0.44 0.77 3.88 0.00 -1.15 -0.37 119.26 124.59 1id3 h ALA 89 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1id3 h ALA 89 Cb 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1id3 h ALA 89 CO -0.04 0.12 -0.37 -0.07 0.00 0.00 0.00 179.25 178.89 1id3 h LEU 90 N 0.38 -0.88 -0.68 0.00 3.38 0.17 -3.04 115.31 114.64 1id3 h LEU 90 Ca 0.10 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1id3 h LEU 90 Cb 0.32 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1id3 h LEU 90 CO 0.00 -0.59 -0.39 0.50 0.09 0.00 0.00 178.44 178.06 1id3 h LYS 91 N -1.11 -0.15 -0.75 1.13 3.64 -0.11 0.22 116.57 119.46 1id3 h LYS 91 Ca -0.11 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.53 1id3 h LYS 91 Cb 0.81 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.52 1id3 h LYS 91 CO 0.17 -0.10 0.16 -2.13 -2.27 0.00 0.00 179.45 175.28 1id3 n ARG 92 N -5.43 -0.05 -0.18 1.90 0.63 -0.16 0.76 116.66 114.13 1id3 n ARG 92 Ca 0.04 1.09 0.05 0.00 -0.92 0.00 0.00 57.85 58.11 1id3 n ARG 92 Cb 0.36 -1.80 0.15 0.00 0.45 0.00 0.00 32.46 31.61 1id3 n ARG 92 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1id3 n GLN 93 N -4.91 1.81 0.00 -0.14 6.02 0.78 -4.92 117.38 116.02 1id3 n GLN 93 Ca 0.21 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.97 1id3 n GLN 93 Cb 0.72 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1id3 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1id3 n GLY 94 N 1.03 3.07 3.53 1.08 0.00 0.23 -4.97 105.19 109.15 1id3 n GLY 94 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1id3 n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1id3 s ARG 95 N -0.32 3.37 -0.12 1.61 0.52 -1.18 -4.95 118.95 117.88 1id3 s ARG 95 Ca 0.00 -0.20 -0.06 0.00 -0.52 0.00 0.00 55.73 54.96 1id3 s ARG 95 Cb 0.00 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 1id3 s ARG 95 CO 0.00 -1.28 0.09 0.99 0.02 0.00 0.00 175.30 175.12 1id3 s THR 96 N 3.53 5.06 -0.05 0.02 2.01 -1.26 -1.95 115.64 123.01 1id3 s THR 96 Ca 0.30 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.40 1id3 s THR 96 Cb -0.13 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1id3 s THR 96 CO 0.21 0.59 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.29 1id3 s LEU 97 N -0.81 2.01 -0.03 4.42 2.96 -1.26 -5.01 118.68 120.97 1id3 s LEU 97 Ca 0.13 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1id3 s LEU 97 Cb -0.12 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1id3 s LEU 97 CO 0.03 0.22 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.80 1id3 s TYR 98 N -0.14 2.61 0.00 5.38 1.51 -1.26 -4.72 117.35 120.73 1id3 s TYR 98 Ca -0.02 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1id3 s TYR 98 Cb -0.12 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1id3 s TYR 98 CO 0.03 0.16 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1id3 n GLY 99 N 2.19 1.44 0.41 0.71 0.00 -1.26 -5.00 105.19 103.67 1id3 n GLY 99 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1id3 n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1id3 n PHE 100 N -0.73 0.00 0.00 1.61 3.01 -1.26 -5.15 117.46 114.94 1id3 n PHE 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1id3 n PHE 100 Cb 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1id3 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1id3 n GLY 101 N 0.00 -0.30 3.59 1.37 0.00 -1.26 -4.54 105.19 104.05 1id3 n GLY 101 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1id3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93