#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndp n ASN 7 N 0.00 0.00 -0.43 6.55 5.15 -1.26 -4.87 115.26 120.40 1ndp n ASN 7 Ca 0.00 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.03 1ndp n ASN 7 Cb 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.37 1ndp n ASN 7 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ndp n LYS 8 N 0.00 2.75 -1.66 1.20 4.76 -1.26 -3.55 118.16 120.40 1ndp n LYS 8 Ca 0.00 -2.07 -0.38 0.00 -2.87 0.00 0.00 58.31 52.99 1ndp n LYS 8 Cb 0.00 -1.30 0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1ndp n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ndp n GLU 9 N -0.17 1.16 -4.19 1.97 2.13 -1.24 -4.65 120.64 115.65 1ndp n GLU 9 Ca 0.10 0.44 -0.15 0.00 0.66 0.00 0.00 57.16 58.21 1ndp n GLU 9 Cb 0.47 -2.30 -0.11 0.00 0.27 0.00 0.00 31.44 29.77 1ndp n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ndp s ARG 10 N -2.79 0.88 0.05 5.31 0.52 -1.26 -0.73 118.95 120.92 1ndp s ARG 10 Ca 0.74 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1ndp s ARG 10 Cb -0.43 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 1ndp s ARG 10 CO 0.48 0.11 -0.04 -0.08 0.02 0.00 0.00 175.30 175.78 1ndp s THR 11 N -2.26 0.32 -0.21 0.02 -1.32 0.27 -4.71 115.64 107.76 1ndp s THR 11 Ca 0.05 -1.39 -0.06 0.00 -1.21 0.00 0.00 61.69 59.08 1ndp s THR 11 Cb -0.04 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1ndp s THR 11 CO 0.01 -0.70 0.03 0.12 -2.21 0.00 0.00 174.62 171.87 1ndp s PHE 12 N -2.58 3.08 -0.03 9.09 5.36 -1.26 -2.33 117.98 129.31 1ndp s PHE 12 Ca -0.03 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.61 1ndp s PHE 12 Cb -0.02 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1ndp s PHE 12 CO -0.04 -0.22 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.81 1ndp s LEU 13 N 1.09 1.99 -0.05 6.12 1.43 -0.42 -0.66 118.68 128.18 1ndp s LEU 13 Ca 0.03 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1ndp s LEU 13 Cb -0.14 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.16 1ndp s LEU 13 CO 0.02 0.19 -0.03 0.00 0.23 0.00 0.00 176.35 176.77 1ndp s ALA 14 N -0.23 0.64 -0.35 4.21 0.00 -0.27 0.07 121.76 125.83 1ndp s ALA 14 Ca 0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 1ndp s ALA 14 Cb -0.09 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1ndp s ALA 14 CO 0.00 -0.13 0.66 0.08 0.00 0.00 0.00 175.76 176.37 1ndp s VAL 15 N 1.18 4.87 0.81 0.00 1.01 0.12 0.61 120.40 129.00 1ndp s VAL 15 Ca -0.07 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 1ndp s VAL 15 Cb -0.14 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.23 1ndp s VAL 15 CO -0.01 -0.32 1.10 -0.54 0.00 0.00 0.00 175.10 175.32 1ndp s LYS 16 N 2.76 1.91 0.37 2.72 1.02 -0.15 -0.96 119.74 127.41 1ndp s LYS 16 Ca 0.25 1.19 0.13 0.00 0.02 0.00 0.00 55.97 57.57 1ndp s LYS 16 Cb -0.14 -1.86 0.95 0.00 -0.52 0.00 0.00 37.83 36.26 1ndp s LYS 16 CO 0.15 -1.89 1.80 -1.35 -0.92 0.00 0.00 175.35 173.14 1ndp h PRO 17 N -1.31 0.53 0.48 -1.68 0.11 -1.85 -0.87 132.00 127.41 1ndp h PRO 17 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ndp h PRO 17 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ndp h PRO 17 CO 0.50 0.35 -0.36 0.38 -0.21 0.00 0.00 178.00 178.67 1ndp h ASP 18 N 0.55 -0.93 -0.89 -2.05 2.03 -1.89 0.33 116.42 113.57 1ndp h ASP 18 Ca 0.55 0.07 0.10 0.00 -0.73 0.00 0.00 57.03 57.01 1ndp h ASP 18 Cb 1.15 0.29 -0.08 0.00 -0.83 0.00 0.00 39.33 39.86 1ndp h ASP 18 CO -0.29 -0.53 0.53 1.23 -1.03 0.00 0.00 179.24 179.15 1ndp h GLY 19 N -0.82 1.41 0.89 7.15 0.00 -1.66 1.01 103.07 111.04 1ndp h GLY 19 Ca -0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1ndp h GLY 19 CO 0.01 0.15 -0.29 -2.08 0.00 0.00 0.00 176.54 174.33 1ndp h VAL 20 N 0.88 1.33 -0.82 4.60 2.07 -0.85 -1.65 116.25 121.82 1ndp h VAL 20 Ca 0.43 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1ndp h VAL 20 Cb 0.39 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1ndp h VAL 20 CO -0.25 0.46 0.54 0.00 0.02 0.00 0.00 177.57 178.35 1ndp h ALA 21 N 0.63 1.46 -0.00 1.67 0.00 0.13 -1.99 119.26 121.15 1ndp h ALA 21 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ndp h ALA 21 Cb 0.87 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ndp h ALA 21 CO 0.07 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.33 1ndp n ARG 22 N -4.43 1.01 -3.42 0.00 1.74 0.33 -4.92 116.66 106.97 1ndp n ARG 22 Ca 0.10 -0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 1ndp n ARG 22 Cb 0.07 -1.41 0.08 0.00 -1.02 0.00 0.00 32.46 30.18 1ndp n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndp n GLY 23 N 0.91 -0.37 0.81 -0.13 0.00 -0.75 -4.91 105.19 100.75 1ndp n GLY 23 Ca 0.20 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.42 1ndp n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ndp n LEU 24 N -4.25 2.86 0.35 0.99 4.77 -0.63 -4.69 117.00 116.40 1ndp n LEU 24 Ca -0.17 -1.45 -0.18 0.00 -0.03 0.00 0.00 56.01 54.18 1ndp n LEU 24 Cb 0.62 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1ndp n LEU 24 CO 0.59 0.62 0.66 0.58 -1.33 0.00 0.00 177.39 178.51 1ndp h VAL 25 N 3.21 0.38 -0.61 4.08 2.07 -1.87 -0.51 116.25 123.00 1ndp h VAL 25 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1ndp h VAL 25 Cb 0.77 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1ndp h VAL 25 CO 0.00 0.00 0.34 1.23 0.02 0.00 0.00 177.57 179.16 1ndp h GLY 26 N -0.85 0.88 1.02 2.17 0.00 -1.97 -2.13 103.07 102.20 1ndp h GLY 26 Ca -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1ndp h GLY 26 CO 0.14 0.17 0.65 -2.09 0.00 0.00 0.00 176.54 175.41 1ndp h GLU 27 N 0.66 1.31 -0.15 4.80 4.57 -1.82 -1.39 114.58 122.56 1ndp h GLU 27 Ca 0.26 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1ndp h GLU 27 Cb 0.12 -0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1ndp h GLU 27 CO -0.15 0.87 -0.12 0.82 -1.18 0.00 0.00 179.01 179.25 1ndp h ILE 28 N 1.35 1.34 0.09 2.32 2.04 -0.44 -3.06 117.51 121.14 1ndp h ILE 28 Ca 0.36 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1ndp h ILE 28 Cb -0.14 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1ndp h ILE 28 CO -0.08 0.36 -0.20 0.40 0.00 0.00 0.00 178.15 178.63 1ndp h ILE 29 N -0.02 0.54 -0.99 -0.67 2.04 -1.35 -2.53 117.51 114.53 1ndp h ILE 29 Ca 0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.03 1ndp h ILE 29 Cb 0.63 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 1ndp h ILE 29 CO 0.03 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.80 1ndp h ALA 30 N 0.44 1.61 -0.83 1.87 0.00 -1.34 0.99 119.26 122.01 1ndp h ALA 30 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ndp h ALA 30 Cb 0.40 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1ndp h ALA 30 CO -0.12 0.11 0.54 0.00 0.00 0.00 0.00 179.25 179.77 1ndp h ARG 31 N 0.89 1.04 -0.11 0.00 3.08 -1.34 0.20 114.38 118.14 1ndp h ARG 31 Ca 0.51 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.34 1ndp h ARG 31 Cb 0.63 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1ndp h ARG 31 CO -0.28 0.68 -0.56 1.88 -1.07 0.00 0.00 179.97 180.62 1ndp h TYR 32 N 1.07 0.78 -0.26 3.04 0.05 -1.11 -1.32 116.97 119.22 1ndp h TYR 32 Ca 0.32 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1ndp h TYR 32 Cb -0.03 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1ndp h TYR 32 CO -0.02 1.14 0.15 0.93 -1.05 0.00 0.00 178.16 179.31 1ndp h GLU 33 N 0.20 0.36 -0.75 4.88 5.08 -0.59 -2.46 114.58 121.29 1ndp h GLU 33 Ca -0.04 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1ndp h GLU 33 Cb 1.21 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1ndp h GLU 33 CO 0.12 0.30 0.44 0.87 -1.00 0.00 0.00 179.01 179.75 1ndp h LYS 34 N 0.32 0.79 0.00 2.33 1.57 -0.54 -1.22 116.57 119.82 1ndp h LYS 34 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ndp h LYS 34 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1ndp h LYS 34 CO -0.02 0.53 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.12 1ndp h LYS 35 N 0.82 0.00 0.00 3.15 1.63 -0.85 -3.46 116.57 117.85 1ndp h LYS 35 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1ndp h LYS 35 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1ndp h LYS 35 CO -0.17 0.05 0.00 0.41 -3.45 0.00 0.00 179.45 176.29 1ndp n GLY 36 N -1.18 1.13 3.80 5.01 0.00 -0.46 -5.09 105.19 108.40 1ndp n GLY 36 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1ndp n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndp s PHE 37 N -2.00 3.51 -0.13 1.61 0.08 -1.06 -4.77 117.98 115.21 1ndp s PHE 37 Ca 0.00 1.70 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 1ndp s PHE 37 Cb 0.00 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 1ndp s PHE 37 CO 0.00 0.02 0.02 0.08 -0.10 0.00 0.00 175.22 175.23 1ndp s VAL 38 N -1.85 4.40 -0.46 -0.44 1.01 0.30 -4.45 120.40 118.92 1ndp s VAL 38 Ca 0.56 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1ndp s VAL 38 Cb -0.15 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1ndp s VAL 38 CO 0.20 0.54 1.22 -0.22 0.00 0.00 0.00 175.10 176.84 1ndp s LEU 39 N -0.25 3.62 0.00 3.92 2.96 -1.26 0.34 118.68 128.01 1ndp s LEU 39 Ca 0.06 0.58 0.15 0.00 -0.22 0.00 0.00 54.13 54.70 1ndp s LEU 39 Cb -0.12 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1ndp s LEU 39 CO 0.02 -1.30 0.74 1.33 -1.32 0.00 0.00 176.35 175.82 1ndp n VAL 40 N 6.90 0.00 -3.64 1.68 0.24 0.20 -4.95 118.33 118.77 1ndp n VAL 40 Ca 0.13 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1ndp n VAL 40 Cb 0.49 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 1ndp n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ndp s GLY 41 N -1.95 -0.60 -0.23 7.63 0.00 -1.10 0.01 107.32 111.07 1ndp s GLY 41 Ca 0.10 2.27 -0.12 0.00 0.00 0.00 0.00 44.72 46.98 1ndp s GLY 41 CO 0.44 2.16 0.55 -2.27 0.00 0.00 0.00 173.10 173.98 1ndp s LEU 42 N 1.19 -0.62 0.14 0.66 2.96 -1.26 0.19 118.68 121.94 1ndp s LEU 42 Ca -0.06 1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.84 1ndp s LEU 42 Cb -0.05 1.86 0.07 0.00 0.50 0.00 0.00 46.19 48.57 1ndp s LEU 42 CO -0.13 -0.22 0.59 -1.59 -1.32 0.00 0.00 176.35 173.68 1ndp s LYS 43 N 1.81 1.24 -0.16 1.98 -2.85 -0.13 -5.02 119.74 116.62 1ndp s LYS 43 Ca -0.08 -0.43 -0.02 0.00 -1.00 0.00 0.00 55.97 54.43 1ndp s LYS 43 Cb -0.08 0.57 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1ndp s LYS 43 CO -0.16 -0.53 -0.07 -1.14 0.10 0.00 0.00 175.35 173.55 1ndp s GLN 44 N -3.53 3.51 0.18 1.78 0.74 -1.26 0.11 119.66 121.19 1ndp s GLN 44 Ca 0.00 -0.60 -0.15 0.00 0.05 0.00 0.00 55.36 54.66 1ndp s GLN 44 Cb -0.01 -2.84 0.02 0.00 1.10 0.00 0.00 33.01 31.28 1ndp s GLN 44 CO -0.11 0.13 0.45 -0.48 -0.55 0.00 0.00 175.29 174.73 1ndp s LEU 45 N 0.61 0.35 -0.45 3.68 2.34 -0.58 -4.99 118.68 119.64 1ndp s LEU 45 Ca -0.04 -0.59 -0.12 0.00 0.06 0.00 0.00 54.13 53.44 1ndp s LEU 45 Cb -0.15 1.85 0.09 0.00 -0.56 0.00 0.00 46.19 47.42 1ndp s LEU 45 CO 0.03 -1.00 0.33 -0.69 -1.06 0.00 0.00 176.35 173.96 1ndp s VAL 46 N -3.90 4.63 0.54 1.48 1.01 -1.26 -0.53 120.40 122.38 1ndp s VAL 46 Ca 0.11 -1.34 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1ndp s VAL 46 Cb 0.00 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1ndp s VAL 46 CO -0.02 -0.59 1.07 -2.65 0.00 0.00 0.00 175.10 172.91 1ndp n PRO 47 N 5.03 1.21 -3.01 2.72 -0.02 -1.26 -5.00 135.00 134.68 1ndp n PRO 47 Ca -0.11 0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 1ndp n PRO 47 Cb 0.43 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1ndp n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ndp s THR 48 N -1.40 4.10 0.23 3.45 -4.23 -1.26 -4.51 115.64 112.01 1ndp s THR 48 Ca 0.71 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1ndp s THR 48 Cb -0.45 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.08 1ndp s THR 48 CO 0.50 -0.36 1.89 0.50 -0.54 0.00 0.00 174.62 176.61 1ndp h LYS 49 N 0.43 1.07 0.25 3.99 3.64 -1.94 -0.24 116.57 123.77 1ndp h LYS 49 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1ndp h LYS 49 Cb 1.25 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1ndp h LYS 49 CO 0.58 0.71 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.91 1ndp h ASP 50 N 1.11 -0.28 0.24 4.20 5.19 -1.98 0.47 116.42 125.37 1ndp h ASP 50 Ca 0.33 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1ndp h ASP 50 Cb -0.04 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 1ndp h ASP 50 CO -0.10 -0.12 -0.31 0.25 -3.12 0.00 0.00 179.24 175.84 1ndp h LEU 51 N -0.42 -0.86 -0.70 1.55 5.85 -1.88 0.15 115.31 119.00 1ndp h LEU 51 Ca -0.03 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1ndp h LEU 51 Cb 0.32 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 1ndp h LEU 51 CO 0.06 -0.43 0.16 0.00 -0.34 0.00 0.00 178.44 177.88 1ndp h ALA 52 N -0.03 0.87 -0.23 1.25 0.00 -0.95 0.44 119.26 120.62 1ndp h ALA 52 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1ndp h ALA 52 Cb 0.58 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ndp h ALA 52 CO -0.10 -0.33 -0.47 0.93 0.00 0.00 0.00 179.25 179.28 1ndp h GLU 53 N 0.26 0.58 -0.33 0.00 5.08 -0.46 -1.09 114.58 118.63 1ndp h GLU 53 Ca 0.38 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1ndp h GLU 53 Cb 0.63 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ndp h GLU 53 CO -0.48 0.93 -0.27 0.66 -1.00 0.00 0.00 179.01 178.85 1ndp h SER 54 N 0.47 0.81 -0.07 1.42 4.64 0.38 -0.71 113.55 120.49 1ndp h SER 54 Ca 0.03 -0.45 0.04 0.00 -0.47 0.00 0.00 61.79 60.94 1ndp h SER 54 Cb 0.99 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.80 1ndp h SER 54 CO 0.09 1.09 -0.27 -0.74 -0.87 0.00 0.00 176.83 176.14 1ndp h HIS 55 N 0.54 -0.73 -0.76 4.77 -0.00 0.06 -2.91 115.15 116.12 1ndp h HIS 55 Ca 0.06 0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.21 1ndp h HIS 55 Cb 0.84 0.33 -0.15 0.00 -0.00 0.00 0.00 27.41 28.44 1ndp h HIS 55 CO 0.07 -0.36 0.32 0.66 -0.00 0.00 0.00 177.93 178.62 1ndp n TYR 56 N -5.38 2.49 -0.22 5.26 4.01 -0.43 -4.61 117.16 118.27 1ndp n TYR 56 Ca -0.04 -1.24 0.21 0.00 -0.16 0.00 0.00 57.90 56.67 1ndp n TYR 56 Cb 0.30 -0.71 0.56 0.00 -0.31 0.00 0.00 39.34 39.18 1ndp n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndp h ALA 57 N 2.50 2.35 0.00 -0.72 0.00 -0.92 0.78 119.26 123.26 1ndp h ALA 57 Ca 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ndp h ALA 57 Cb 2.37 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 1ndp h ALA 57 CO 0.77 -0.63 -0.03 1.05 0.00 0.00 0.00 179.25 180.41 1ndp h GLU 58 N 0.30 0.00 -0.20 0.00 4.11 -1.85 -2.58 114.58 114.37 1ndp h GLU 58 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1ndp h GLU 58 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ndp h GLU 58 CO -0.14 0.03 0.00 0.72 0.07 0.00 0.00 179.01 179.69 1ndp n HIS 59 N -3.34 0.24 -0.31 2.06 8.25 0.26 -4.64 115.22 117.75 1ndp n HIS 59 Ca -0.02 -0.12 0.21 0.00 -0.26 0.00 0.00 57.72 57.53 1ndp n HIS 59 Cb 0.16 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.67 1ndp n HIS 59 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ndp n LYS 60 N 1.01 -0.06 -0.56 -0.41 2.85 -0.97 -0.38 118.16 119.63 1ndp n LYS 60 Ca 0.17 1.32 0.09 0.00 -1.05 0.00 0.00 58.31 58.84 1ndp n LYS 60 Cb 0.51 -2.23 0.33 0.00 -0.65 0.00 0.00 35.03 32.99 1ndp n LYS 60 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ndp n GLU 61 N -5.22 3.60 -2.94 -1.58 1.02 -1.26 -4.85 120.64 109.40 1ndp n GLU 61 Ca 0.28 -2.81 -0.40 0.00 -0.02 0.00 0.00 57.16 54.21 1ndp n GLU 61 Cb 0.93 -1.83 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1ndp n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ndp s ARG 62 N -1.88 4.58 0.64 3.49 1.81 0.49 -4.94 118.95 123.13 1ndp s ARG 62 Ca 0.48 1.18 0.28 0.00 -1.72 0.00 0.00 55.73 55.95 1ndp s ARG 62 Cb 0.31 -3.30 1.52 0.00 -0.45 0.00 0.00 34.95 33.03 1ndp s ARG 62 CO 0.22 0.45 1.88 -1.35 -0.68 0.00 0.00 175.30 175.82 1ndp h PRO 63 N 4.82 0.00 -0.01 3.54 0.11 -1.92 -1.07 132.00 137.47 1ndp h PRO 63 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ndp h PRO 63 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ndp h PRO 63 CO 0.68 0.00 -0.50 1.97 -0.21 0.00 0.00 178.00 179.94 1ndp n PHE 64 N -3.17 0.00 -0.33 0.65 1.16 -1.26 -4.63 117.46 109.88 1ndp n PHE 64 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1ndp n PHE 64 Cb 0.50 -0.07 0.06 0.00 -1.61 0.00 0.00 39.48 38.36 1ndp n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1ndp h PHE 65 N 1.35 -0.88 -0.18 2.97 3.57 -1.42 0.11 116.94 122.47 1ndp h PHE 65 Ca 0.00 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1ndp h PHE 65 Cb 0.61 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 1ndp h PHE 65 CO 0.00 -0.40 -0.20 0.78 -2.23 0.00 0.00 178.31 176.27 1ndp h GLY 66 N -0.04 -0.12 1.17 2.40 0.00 -1.82 0.38 103.07 105.04 1ndp h GLY 66 Ca 0.35 0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.81 1ndp h GLY 66 CO -0.91 -0.18 -0.11 -1.33 0.00 0.00 0.00 176.54 174.02 1ndp h GLY 67 N -0.23 1.05 1.01 4.60 0.00 -1.69 -1.08 103.07 106.73 1ndp h GLY 67 Ca 0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1ndp h GLY 67 CO -0.31 0.76 -0.48 -2.00 0.00 0.00 0.00 176.54 174.51 1ndp h LEU 68 N 0.87 -1.15 -0.90 3.11 5.85 -0.17 -1.04 115.31 121.87 1ndp h LEU 68 Ca 0.14 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1ndp h LEU 68 Cb 0.66 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1ndp h LEU 68 CO 0.05 -0.82 0.54 0.58 -0.34 0.00 0.00 178.44 178.45 1ndp h VAL 69 N -1.34 0.93 -0.79 1.05 2.07 -0.20 -1.20 116.25 116.77 1ndp h VAL 69 Ca -0.14 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1ndp h VAL 69 Cb 1.03 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1ndp h VAL 69 CO 0.22 0.16 0.33 0.28 0.02 0.00 0.00 177.57 178.58 1ndp h SER 70 N 0.90 1.08 0.02 0.57 0.02 -1.06 -2.97 113.55 112.11 1ndp h SER 70 Ca 0.43 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1ndp h SER 70 Cb 0.38 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ndp h SER 70 CO -0.24 0.95 -0.01 0.15 -1.14 0.00 0.00 176.83 176.54 1ndp h PHE 71 N 1.15 -0.02 -0.20 3.45 3.57 -0.60 -2.43 116.94 121.84 1ndp h PHE 71 Ca 0.27 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 1ndp h PHE 71 Cb 0.20 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ndp h PHE 71 CO 0.02 0.54 0.17 0.97 -2.23 0.00 0.00 178.31 177.79 1ndp h ILE 72 N -0.61 0.69 -0.01 1.41 6.09 -1.24 -0.46 117.51 123.38 1ndp h ILE 72 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ndp h ILE 72 Cb 0.58 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1ndp h ILE 72 CO 0.00 0.00 -0.46 0.35 -3.07 0.00 0.00 178.15 174.98 1ndp n THR 73 N -4.16 0.00 0.89 2.19 -2.24 -1.12 -4.22 114.28 105.62 1ndp n THR 73 Ca 0.02 -0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1ndp n THR 73 Cb 0.31 0.57 0.54 0.00 -2.10 0.00 0.00 70.33 69.66 1ndp n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ndp n SER 74 N -0.89 0.00 -3.61 3.42 3.41 -0.18 -4.78 113.62 110.99 1ndp n SER 74 Ca 0.09 0.47 -0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1ndp n SER 74 Cb 0.36 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1ndp n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ndp s GLY 75 N -2.98 -0.13 0.41 5.00 0.00 -1.26 -5.10 107.32 103.27 1ndp s GLY 75 Ca 0.13 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.66 1ndp s GLY 75 CO 0.46 2.40 1.42 2.56 0.00 0.00 0.00 173.10 179.93 1ndp s PRO 76 N -2.35 3.91 -0.02 2.90 0.04 -1.26 -4.49 135.00 133.73 1ndp s PRO 76 Ca 0.21 2.41 0.05 0.00 0.04 0.00 0.00 61.00 63.71 1ndp s PRO 76 Cb -0.00 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 1ndp s PRO 76 CO 0.01 -0.63 -0.17 0.08 0.04 0.00 0.00 177.00 176.33 1ndp s VAL 77 N -1.18 2.86 -0.31 -0.36 1.01 0.32 -3.73 120.40 119.01 1ndp s VAL 77 Ca 0.57 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1ndp s VAL 77 Cb -0.43 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1ndp s VAL 77 CO 0.57 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 175.57 1ndp s VAL 78 N -0.78 3.70 -0.05 2.92 1.01 -0.14 -1.53 120.40 125.54 1ndp s VAL 78 Ca 0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1ndp s VAL 78 Cb -0.10 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1ndp s VAL 78 CO 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 175.10 175.19 1ndp s ALA 79 N 1.42 3.76 0.11 5.51 0.00 0.31 0.10 121.76 132.96 1ndp s ALA 79 Ca -0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 1ndp s ALA 79 Cb -0.18 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.20 1ndp s ALA 79 CO 0.02 0.68 0.44 0.00 0.00 0.00 0.00 175.76 176.89 1ndp s MET 80 N -1.49 1.07 -0.05 0.00 0.23 0.11 -0.95 119.30 118.22 1ndp s MET 80 Ca 0.21 -0.58 0.03 0.00 -1.03 0.00 0.00 55.69 54.32 1ndp s MET 80 Cb -0.12 0.48 0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1ndp s MET 80 CO 0.11 -0.42 -0.12 0.54 -2.03 0.00 0.00 175.02 173.11 1ndp s VAL 81 N -3.46 1.03 -0.07 5.16 0.11 0.13 -1.30 120.40 122.00 1ndp s VAL 81 Ca 0.01 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 1ndp s VAL 81 Cb 0.01 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1ndp s VAL 81 CO -0.10 0.32 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.42 1ndp s PHE 82 N 0.42 2.55 -0.04 1.54 0.08 -0.99 0.63 117.98 122.17 1ndp s PHE 82 Ca -0.09 -0.63 0.06 0.00 0.12 0.00 0.00 56.93 56.40 1ndp s PHE 82 Cb -0.13 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1ndp s PHE 82 CO 0.02 -0.16 -0.24 -2.00 -0.10 0.00 0.00 175.22 172.75 1ndp s GLU 83 N -0.15 2.27 0.00 0.44 2.12 0.15 -0.56 118.70 122.97 1ndp s GLU 83 Ca -0.03 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1ndp s GLU 83 Cb -0.14 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1ndp s GLU 83 CO 0.04 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 1ndp n GLY 84 N 2.85 1.50 3.73 -1.50 0.00 0.09 -0.54 105.19 111.32 1ndp n GLY 84 Ca -0.17 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1ndp n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ndp s LYS 85 N -2.00 4.17 -1.02 1.61 2.20 -1.23 -2.49 119.74 120.97 1ndp s LYS 85 Ca 0.00 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 1ndp s LYS 85 Cb 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1ndp s LYS 85 CO 0.00 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1ndp n GLY 86 N 3.49 0.06 0.38 5.54 0.00 -1.26 -4.85 105.19 108.55 1ndp n GLY 86 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.32 1ndp n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ndp h VAL 87 N 0.00 0.78 0.61 1.61 3.04 -1.79 -0.59 116.25 119.91 1ndp h VAL 87 Ca -0.25 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.32 1ndp h VAL 87 Cb 1.02 0.49 0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1ndp h VAL 87 CO 0.31 0.05 -0.29 0.58 -1.01 0.00 0.00 177.57 177.21 1ndp h VAL 88 N 0.27 0.00 -0.60 1.51 2.07 -1.87 0.11 116.25 117.75 1ndp h VAL 88 Ca 0.33 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1ndp h VAL 88 Cb 0.90 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1ndp h VAL 88 CO -0.07 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.84 1ndp h ALA 89 N -1.40 0.76 -0.67 1.67 0.00 -1.86 -1.35 119.26 116.41 1ndp h ALA 89 Ca -0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ndp h ALA 89 Cb 0.63 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ndp h ALA 89 CO 0.14 0.29 0.21 1.03 0.00 0.00 0.00 179.25 180.91 1ndp h SER 90 N 0.81 0.98 -0.17 0.00 0.87 -1.12 -1.79 113.55 113.12 1ndp h SER 90 Ca 0.21 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1ndp h SER 90 Cb 0.05 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1ndp h SER 90 CO -0.03 0.93 -0.19 0.00 -0.53 0.00 0.00 176.83 177.01 1ndp h ALA 91 N 1.09 1.08 -0.85 6.23 0.00 -0.45 -2.24 119.26 124.12 1ndp h ALA 91 Ca 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ndp h ALA 91 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ndp h ALA 91 CO -0.01 0.56 0.45 0.00 0.00 0.00 0.00 179.25 180.26 1ndp h ARG 92 N 0.53 1.20 -0.44 0.00 2.47 -0.76 -2.10 114.38 115.27 1ndp h ARG 92 Ca 0.08 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1ndp h ARG 92 Cb 0.62 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1ndp h ARG 92 CO 0.04 0.89 0.02 1.25 0.56 0.00 0.00 179.97 182.73 1ndp h LEU 93 N 1.19 0.74 -2.12 3.04 5.85 -1.03 -2.83 115.31 120.16 1ndp h LEU 93 Ca 0.30 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ndp h LEU 93 Cb 0.06 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1ndp h LEU 93 CO -0.04 0.86 -0.08 0.24 -0.34 0.00 0.00 178.44 179.08 1ndp h MET 94 N 0.61 0.00 0.02 1.25 2.86 -1.16 -3.04 114.93 115.47 1ndp h MET 94 Ca 0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1ndp h MET 94 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ndp h MET 94 CO 0.02 0.08 -0.15 0.82 1.06 0.00 0.00 176.91 178.74 1ndp h ILE 95 N 0.00 1.74 0.00 -1.22 2.04 -1.17 0.45 117.51 119.35 1ndp h ILE 95 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1ndp h ILE 95 Cb 0.22 3.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1ndp h ILE 95 CO 0.01 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.39 1ndp n GLY 96 N 1.58 0.04 3.76 5.37 0.00 -1.09 0.06 105.19 114.91 1ndp n GLY 96 Ca -0.11 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 1ndp n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ndp s VAL 97 N 0.00 1.42 0.16 1.61 -7.23 -1.26 -4.71 120.40 110.39 1ndp s VAL 97 Ca 0.00 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.10 1ndp s VAL 97 Cb 0.00 -2.33 0.04 0.00 0.56 0.00 0.00 36.38 34.65 1ndp s VAL 97 CO 0.00 0.00 1.75 0.74 -0.31 0.00 0.00 175.10 177.28 1ndp h THR 98 N 1.34 0.88 -3.51 5.32 2.02 -1.97 -3.38 112.91 113.61 1ndp h THR 98 Ca -0.43 -0.10 -0.58 0.00 0.77 0.00 0.00 66.41 66.06 1ndp h THR 98 Cb 1.30 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 1ndp h THR 98 CO 0.73 0.06 0.70 0.21 0.37 0.00 0.00 175.52 177.58 1ndp s ASN 99 N -5.37 6.70 0.43 4.18 3.04 -1.26 -4.71 114.94 117.96 1ndp s ASN 99 Ca -0.13 0.61 0.30 0.00 0.04 0.00 0.00 52.86 53.68 1ndp s ASN 99 Cb 0.13 -2.49 1.50 0.00 -1.54 0.00 0.00 41.25 38.84 1ndp s ASN 99 CO 0.72 -0.94 1.91 -0.65 -3.04 0.00 0.00 177.10 175.10 1ndp h PRO 100 N 8.58 0.00 -0.04 0.43 0.11 -1.80 -2.42 132.00 136.86 1ndp h PRO 100 Ca -0.23 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.67 1ndp h PRO 100 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ndp h PRO 100 CO 1.02 0.00 -0.87 -0.07 -0.21 0.00 0.00 178.00 177.87 1ndp h LEU 101 N 0.00 0.61 -1.55 2.35 3.38 -1.77 -3.09 115.31 115.24 1ndp h LEU 101 Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ndp h LEU 101 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ndp h LEU 101 CO 0.00 1.23 0.00 0.00 0.09 0.00 0.00 178.44 179.76 1ndp n ALA 102 N -2.55 2.45 -2.71 1.53 0.00 -0.92 -4.90 120.51 113.40 1ndp n ALA 102 Ca -0.07 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 1ndp n ALA 102 Cb 0.79 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 1ndp n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ndp s SER 103 N -1.14 6.97 0.37 0.00 0.01 -1.15 -4.84 113.70 113.93 1ndp s SER 103 Ca 0.30 1.17 -0.27 0.00 1.31 0.00 0.00 55.95 58.46 1ndp s SER 103 Cb 0.16 -2.41 -0.11 0.00 0.21 0.00 0.00 66.02 63.87 1ndp s SER 103 CO 0.22 -0.11 1.35 0.00 0.41 0.00 0.00 173.24 175.11 1ndp n ALA 104 N 3.76 1.63 -1.74 1.44 0.00 -1.26 -4.18 120.51 120.16 1ndp n ALA 104 Ca -0.02 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 1ndp n ALA 104 Cb 0.51 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.66 1ndp n ALA 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ndp n PRO 105 N 0.37 2.31 0.00 0.00 -0.04 -1.26 -1.80 135.00 134.57 1ndp n PRO 105 Ca 0.04 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1ndp n PRO 105 Cb 0.38 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1ndp n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ndp n GLY 106 N 0.62 3.29 3.84 0.55 0.00 -1.26 -4.98 105.19 107.24 1ndp n GLY 106 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ndp n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ndp s SER 107 N -0.41 6.62 0.11 1.61 1.04 -0.75 -4.92 113.70 117.00 1ndp s SER 107 Ca 0.00 1.61 -0.21 0.00 0.48 0.00 0.00 55.95 57.83 1ndp s SER 107 Cb 0.00 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1ndp s SER 107 CO 0.00 -0.59 1.76 0.40 0.98 0.00 0.00 173.24 175.79 1ndp h ILE 108 N 1.04 1.02 -0.36 -1.02 2.04 0.09 -1.98 117.51 118.33 1ndp h ILE 108 Ca -0.47 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1ndp h ILE 108 Cb 1.19 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1ndp h ILE 108 CO 0.61 0.03 -0.02 0.03 0.00 0.00 0.00 178.15 178.80 1ndp h ARG 109 N 0.16 0.66 -0.49 2.37 3.08 -0.61 -1.62 114.38 117.92 1ndp h ARG 109 Ca 0.05 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 59.97 1ndp h ARG 109 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1ndp h ARG 109 CO -0.02 0.78 0.34 0.78 -1.07 0.00 0.00 179.97 180.77 1ndp h GLY 110 N 0.46 0.35 0.98 0.04 0.00 -1.66 -0.15 103.07 103.09 1ndp h GLY 110 Ca 0.10 -0.10 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1ndp h GLY 110 CO 0.02 0.07 -1.65 1.22 0.00 0.00 0.00 176.54 176.20 1ndp n ASP 111 N -4.46 0.87 0.00 0.19 8.00 -0.76 -4.61 116.55 115.78 1ndp n ASP 111 Ca 0.08 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1ndp n ASP 111 Cb 0.38 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1ndp n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ndp n PHE 112 N -3.01 0.00 -4.55 1.24 3.72 -0.62 -5.06 117.46 109.18 1ndp n PHE 112 Ca -0.15 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.99 1ndp n PHE 112 Cb 1.01 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.44 1ndp n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ndp s GLY 113 N -0.69 2.27 0.00 1.37 0.00 -0.10 -5.02 107.32 105.14 1ndp s GLY 113 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.56 1ndp s GLY 113 CO 0.00 -2.01 0.00 -0.62 0.00 0.00 0.00 173.10 170.47 1ndp n VAL 114 N -0.83 0.00 -3.99 1.40 0.31 -1.26 -4.39 118.33 109.56 1ndp n VAL 114 Ca -0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.92 1ndp n VAL 114 Cb 0.65 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 1ndp n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ndp s ASP 115 N -4.24 6.03 0.21 4.52 2.15 -1.26 -4.17 116.67 119.91 1ndp s ASP 115 Ca 0.00 0.33 -0.09 0.00 0.43 0.00 0.00 52.55 53.22 1ndp s ASP 115 Cb 0.00 -1.92 0.27 0.00 -0.30 0.00 0.00 42.92 40.96 1ndp s ASP 115 CO 0.00 0.36 1.78 0.58 -0.17 0.00 0.00 175.17 177.72 1ndp h VAL 116 N 4.17 0.89 0.00 1.11 2.07 -1.96 -0.41 116.25 122.12 1ndp h VAL 116 Ca -0.51 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1ndp h VAL 116 Cb 1.21 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ndp h VAL 116 CO 0.60 0.11 -0.14 1.23 0.02 0.00 0.00 177.57 179.39 1ndp h GLY 117 N 0.59 0.00 -4.27 2.17 0.00 -1.95 -2.97 103.07 96.64 1ndp h GLY 117 Ca 0.31 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.05 1ndp h GLY 117 CO -0.23 0.00 -0.63 0.54 0.00 0.00 0.00 176.54 176.22 1ndp n ARG 118 N -3.56 3.44 -0.57 4.80 5.12 -0.22 -4.91 116.66 120.76 1ndp n ARG 118 Ca -0.01 -4.31 -0.10 0.00 -1.93 0.00 0.00 57.85 51.50 1ndp n ARG 118 Cb 0.28 -2.26 0.05 0.00 -1.16 0.00 0.00 32.46 29.36 1ndp n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ndp n ASN 119 N -0.57 4.50 0.00 0.55 0.23 -0.87 -4.59 115.26 114.51 1ndp n ASN 119 Ca 0.42 -2.68 0.00 0.00 -0.53 0.00 0.00 54.58 51.79 1ndp n ASN 119 Cb 0.75 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1ndp n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ndp n ILE 120 N 0.27 0.00 -3.96 1.53 5.41 -1.26 -4.80 119.36 116.55 1ndp n ILE 120 Ca 0.20 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.86 1ndp n ILE 120 Cb 0.75 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.58 1ndp n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1ndp s ILE 121 N 0.00 0.14 0.03 1.39 2.07 -1.26 -0.98 121.20 122.59 1ndp s ILE 121 Ca 0.00 -1.12 0.07 0.00 -1.41 0.00 0.00 60.65 58.18 1ndp s ILE 121 Cb 0.00 -0.80 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 1ndp s ILE 121 CO 0.00 -0.62 -0.18 -2.28 -1.91 0.00 0.00 174.94 169.95 1ndp s HIS 122 N -2.44 2.57 -0.01 3.50 5.65 0.20 -4.91 115.29 119.85 1ndp s HIS 122 Ca -0.07 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.00 1ndp s HIS 122 Cb -0.02 -1.49 0.01 0.00 -1.18 0.00 0.00 32.58 29.90 1ndp s HIS 122 CO -0.04 0.24 0.01 0.20 -0.65 0.00 0.00 174.74 174.49 1ndp s GLY 123 N -1.32 0.08 0.58 1.59 0.00 -1.26 -1.11 107.32 105.88 1ndp s GLY 123 Ca 0.14 0.11 -0.20 0.00 0.00 0.00 0.00 44.72 44.77 1ndp s GLY 123 CO 0.05 0.29 1.32 -0.56 0.00 0.00 0.00 173.10 174.19 1ndp s SER 124 N 0.46 5.04 0.00 1.64 0.01 0.17 -4.93 113.70 116.09 1ndp s SER 124 Ca -0.04 2.68 0.20 0.00 1.31 0.00 0.00 55.95 60.11 1ndp s SER 124 Cb -0.06 -2.63 0.39 0.00 0.21 0.00 0.00 66.02 63.93 1ndp s SER 124 CO -0.01 -1.72 1.33 -0.90 0.41 0.00 0.00 173.24 172.35 1ndp n ASP 125 N -1.37 3.28 -3.61 2.44 5.75 -1.26 -4.75 116.55 117.03 1ndp n ASP 125 Ca 0.12 -1.94 -0.04 0.00 -0.01 0.00 0.00 54.79 52.93 1ndp n ASP 125 Cb 0.46 -0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 1ndp n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ndp s SER 126 N -1.32 -0.18 0.20 -1.12 1.04 -1.26 -4.93 113.70 106.12 1ndp s SER 126 Ca 0.35 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1ndp s SER 126 Cb 0.20 0.28 0.13 0.00 0.10 0.00 0.00 66.02 66.74 1ndp s SER 126 CO 0.28 -0.49 1.84 0.58 0.98 0.00 0.00 173.24 176.42 1ndp h VAL 127 N 2.00 1.21 0.37 5.02 2.07 -1.94 0.25 116.25 125.22 1ndp h VAL 127 Ca -0.21 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1ndp h VAL 127 Cb 1.21 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1ndp h VAL 127 CO 0.27 0.22 -0.40 -0.33 0.02 0.00 0.00 177.57 177.34 1ndp h GLU 128 N 0.97 -0.77 -0.08 1.57 3.07 -1.97 0.07 114.58 117.44 1ndp h GLU 128 Ca 0.25 0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1ndp h GLU 128 Cb -0.02 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1ndp h GLU 128 CO -0.05 -0.52 -0.33 0.66 -1.40 0.00 0.00 179.01 177.38 1ndp h SER 129 N -0.80 0.16 -0.16 1.42 4.64 -1.93 -0.81 113.55 116.06 1ndp h SER 129 Ca -0.03 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1ndp h SER 129 Cb 0.73 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1ndp h SER 129 CO -0.09 0.49 0.04 0.00 -0.87 0.00 0.00 176.83 176.40 1ndp h ALA 130 N 1.53 0.22 -0.46 5.18 0.00 -0.11 0.17 119.26 125.79 1ndp h ALA 130 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ndp h ALA 130 Cb 0.66 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1ndp h ALA 130 CO 0.05 -0.14 0.21 -0.91 0.00 0.00 0.00 179.25 178.46 1ndp h ASN 131 N 0.07 0.27 0.15 0.00 2.35 -0.60 0.36 115.58 118.18 1ndp h ASN 131 Ca 0.05 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1ndp h ASN 131 Cb 0.27 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1ndp h ASN 131 CO 0.00 0.19 -0.07 -0.09 -1.65 0.00 0.00 177.43 175.81 1ndp h ARG 132 N 0.41 -0.19 -0.53 0.81 2.43 -1.09 -2.66 114.38 113.57 1ndp h ARG 132 Ca 0.21 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1ndp h ARG 132 Cb 0.15 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1ndp h ARG 132 CO -0.17 0.10 0.18 0.93 -1.51 0.00 0.00 179.97 179.49 1ndp h GLU 133 N -0.48 0.77 0.13 0.20 5.08 -0.38 -1.08 114.58 118.82 1ndp h GLU 133 Ca -0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1ndp h GLU 133 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ndp h GLU 133 CO 0.03 0.66 -0.13 0.82 -1.00 0.00 0.00 179.01 179.39 1ndp h ILE 134 N 0.76 0.70 -0.56 3.13 2.04 -0.29 0.71 117.51 123.99 1ndp h ILE 134 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1ndp h ILE 134 Cb 0.20 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1ndp h ILE 134 CO -0.01 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.44 1ndp h ALA 135 N 0.55 1.48 -0.14 1.87 0.00 -1.29 0.29 119.26 122.02 1ndp h ALA 135 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ndp h ALA 135 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ndp h ALA 135 CO -0.04 0.43 -0.09 1.25 0.00 0.00 0.00 179.25 180.80 1ndp h LEU 136 N 0.77 0.32 0.00 0.00 5.85 -0.88 -3.36 115.31 118.01 1ndp h LEU 136 Ca 0.20 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ndp h LEU 136 Cb 0.03 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1ndp h LEU 136 CO -0.03 0.68 -1.13 0.79 -0.34 0.00 0.00 178.44 178.41 1ndp n TRP 137 N -4.64 0.91 -4.43 1.25 7.02 0.21 -4.94 117.44 112.84 1ndp n TRP 137 Ca -0.06 0.27 -0.22 0.00 -1.02 0.00 0.00 57.50 56.47 1ndp n TRP 137 Cb 0.31 -0.95 -0.13 0.00 -2.42 0.00 0.00 31.31 28.11 1ndp n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1ndp s PHE 138 N -3.31 1.42 0.26 -5.99 0.08 0.98 -5.09 117.98 106.34 1ndp s PHE 138 Ca -0.01 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 1ndp s PHE 138 Cb 0.10 -0.84 -0.08 0.00 -0.57 0.00 0.00 43.02 41.63 1ndp s PHE 138 CO 0.80 0.06 0.61 0.15 -0.10 0.00 0.00 175.22 176.74 1ndp s LYS 139 N -1.19 3.87 0.06 0.44 1.02 -1.26 -4.40 119.74 118.27 1ndp s LYS 139 Ca 0.03 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.48 1ndp s LYS 139 Cb -0.08 -2.59 0.23 0.00 -0.52 0.00 0.00 37.83 34.87 1ndp s LYS 139 CO 0.02 0.27 1.13 -0.35 -0.92 0.00 0.00 175.35 175.50 1ndp n PRO 140 N -0.18 0.03 0.00 -1.68 -0.04 -1.26 -0.67 135.00 131.19 1ndp n PRO 140 Ca 0.01 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 1ndp n PRO 140 Cb 0.53 -1.58 0.38 0.00 -0.04 0.00 0.00 33.50 32.78 1ndp n PRO 140 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ndp n GLU 141 N -1.64 0.22 0.08 0.54 0.00 -1.26 -3.23 120.64 115.34 1ndp n GLU 141 Ca -0.00 -0.11 0.09 0.00 0.00 0.00 0.00 57.16 57.14 1ndp n GLU 141 Cb 0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 1ndp n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ndp n GLU 142 N -1.30 0.61 -3.64 3.44 1.02 0.15 -4.89 120.64 116.04 1ndp n GLU 142 Ca 0.08 0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.95 1ndp n GLU 142 Cb 0.33 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 1ndp n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ndp s LEU 143 N -5.35 4.39 0.64 -4.62 1.43 -1.20 -4.49 118.68 109.48 1ndp s LEU 143 Ca -0.02 0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 1ndp s LEU 143 Cb 0.10 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1ndp s LEU 143 CO 0.81 0.30 1.08 -0.76 0.23 0.00 0.00 176.35 178.00 1ndp s LEU 144 N -0.69 3.37 -0.06 1.79 1.43 0.10 -4.94 118.68 119.69 1ndp s LEU 144 Ca 0.19 1.85 0.04 0.00 -1.03 0.00 0.00 54.13 55.18 1ndp s LEU 144 Cb -0.14 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 1ndp s LEU 144 CO 0.08 -1.43 -0.00 0.35 0.23 0.00 0.00 176.35 175.57 1ndp n THR 145 N -2.43 0.37 -2.63 5.49 -2.24 -1.26 -4.90 114.28 106.69 1ndp n THR 145 Ca 0.09 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1ndp n THR 145 Cb 0.53 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 1ndp n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ndp s GLU 146 N -2.13 3.87 -0.18 -0.78 0.41 -1.26 -5.00 118.70 113.63 1ndp s GLU 146 Ca -0.05 -1.80 -0.09 0.00 -0.41 0.00 0.00 54.97 52.63 1ndp s GLU 146 Cb 0.02 -5.41 -0.05 0.00 -1.78 0.00 0.00 34.13 26.91 1ndp s GLU 146 CO 0.20 -2.18 0.11 0.08 -0.49 0.00 0.00 175.26 172.99 1ndp s VAL 147 N 4.11 5.27 -0.37 2.63 1.01 -1.26 -5.03 120.40 126.76 1ndp s VAL 147 Ca 0.50 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1ndp s VAL 147 Cb 0.02 -3.37 0.15 0.00 0.00 0.00 0.00 36.38 33.18 1ndp s VAL 147 CO 0.01 0.48 0.31 -0.75 0.00 0.00 0.00 175.10 175.16 1ndp s LYS 148 N 0.07 0.63 0.00 2.72 2.20 -1.26 -5.14 119.74 118.95 1ndp s LYS 148 Ca 0.08 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1ndp s LYS 148 Cb -0.11 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.21 1ndp s LYS 148 CO -0.00 -1.22 0.00 -0.35 -0.36 0.00 0.00 175.35 173.42 1ndp n PRO 149 N 4.04 0.21 -2.66 4.03 -0.04 -1.26 -5.02 135.00 134.30 1ndp n PRO 149 Ca 0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 1ndp n PRO 149 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.83 1ndp n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1ndp s ASN 150 N -1.00 7.24 0.00 3.54 3.84 -1.26 -4.90 114.94 122.40 1ndp s ASN 150 Ca 0.00 1.98 0.14 0.00 0.21 0.00 0.00 52.86 55.19 1ndp s ASN 150 Cb 0.00 -2.59 0.61 0.00 -0.55 0.00 0.00 41.25 38.71 1ndp s ASN 150 CO 0.00 -0.15 1.45 -2.65 -2.79 0.00 0.00 177.10 172.97 1ndp n PRO 151 N 0.67 0.01 0.00 0.43 -0.02 -1.26 -1.23 135.00 133.59 1ndp n PRO 151 Ca 0.01 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 61.90 1ndp n PRO 151 Cb 0.48 -1.50 0.75 0.00 -0.02 0.00 0.00 33.50 33.22 1ndp n PRO 151 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ndp n ASN 152 N -1.49 0.29 -0.11 2.55 3.02 -1.26 -3.83 115.26 114.43 1ndp n ASN 152 Ca 0.04 -0.70 -0.14 0.00 -0.03 0.00 0.00 54.58 53.75 1ndp n ASN 152 Cb 0.16 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 1ndp n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ndp n LEU 153 N -0.94 2.06 -4.45 3.41 4.77 -0.37 -4.98 117.00 116.49 1ndp n LEU 153 Ca 0.18 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1ndp n LEU 153 Cb 0.22 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1ndp n LEU 153 CO 0.21 0.75 -0.44 -0.31 -1.33 0.00 0.00 177.39 176.27 1ndp s TYR 154 N -2.45 2.76 -2.00 -1.77 2.02 -1.25 -5.11 117.35 109.55 1ndp s TYR 154 Ca -0.24 -0.29 0.22 0.00 -0.37 0.00 0.00 57.07 56.38 1ndp s TYR 154 Cb 0.07 -1.71 1.31 0.00 -0.40 0.00 0.00 41.96 41.23 1ndp s TYR 154 CO 0.60 0.07 1.68 -1.91 -1.57 0.00 0.00 175.55 174.43