#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 n THR 2 N 0.00 0.00 -3.70 2.03 -2.24 -1.26 -5.15 114.28 103.97 1ni7 n THR 2 Ca 0.00 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 1ni7 n THR 2 Cb 0.00 -0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 67.55 1ni7 n THR 2 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ni7 s ASN 3 N -2.17 -0.28 0.24 3.42 -0.87 -1.26 -5.15 114.94 108.87 1ni7 s ASN 3 Ca 0.15 0.74 -0.30 0.00 -1.57 0.00 0.00 52.86 51.89 1ni7 s ASN 3 Cb -0.01 0.70 -0.09 0.00 -0.02 0.00 0.00 41.25 41.83 1ni7 s ASN 3 CO 0.10 -0.19 1.09 -2.16 -2.57 0.00 0.00 177.10 173.37 1ni7 s PRO 4 N 1.63 4.64 -0.11 -0.60 0.04 -1.26 -5.05 135.00 134.30 1ni7 s PRO 4 Ca -0.07 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 62.66 1ni7 s PRO 4 Cb -0.10 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1ni7 s PRO 4 CO -0.11 0.18 0.26 1.14 0.04 0.00 0.00 177.00 178.52 1ni7 s GLN 5 N -1.08 0.26 0.15 4.56 1.03 -1.26 -5.17 119.66 118.17 1ni7 s GLN 5 Ca 0.46 0.47 -0.01 0.00 0.04 0.00 0.00 55.36 56.31 1ni7 s GLN 5 Cb -0.31 0.01 -0.04 0.00 0.03 0.00 0.00 33.01 32.71 1ni7 s GLN 5 CO 0.38 -0.10 0.09 -0.06 -2.54 0.00 0.00 175.29 173.06 1ni7 s PHE 6 N 0.73 0.93 -0.08 9.60 0.40 -1.26 -5.07 117.98 123.23 1ni7 s PHE 6 Ca -0.05 -1.26 -0.26 0.00 -0.60 0.00 0.00 56.93 54.76 1ni7 s PHE 6 Cb -0.06 -0.48 -0.22 0.00 0.51 0.00 0.00 43.02 42.77 1ni7 s PHE 6 CO -0.05 -0.57 0.99 0.00 0.70 0.00 0.00 175.22 176.29 1ni7 h ALA 7 N 2.77 -0.02 0.00 5.36 0.00 -2.02 -3.49 119.26 121.87 1ni7 h ALA 7 Ca -0.35 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ni7 h ALA 7 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ni7 h ALA 7 CO 0.57 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1ni7 n GLY 8 N 0.89 3.27 2.91 0.00 0.00 -1.26 -4.81 105.19 106.19 1ni7 n GLY 8 Ca -0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 1ni7 n GLY 8 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ni7 n HIS 9 N 0.00 -2.28 0.06 1.61 1.44 -1.26 -4.90 115.22 109.88 1ni7 n HIS 9 Ca 0.00 1.08 -0.12 0.00 -2.01 0.00 0.00 57.72 56.67 1ni7 n HIS 9 Cb 0.00 -2.67 -0.02 0.00 0.12 0.00 0.00 29.99 27.42 1ni7 n HIS 9 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1ni7 h PRO 10 N 3.55 0.43 -5.20 -1.40 0.13 -1.94 -3.42 132.00 124.15 1ni7 h PRO 10 Ca -0.06 -0.42 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1ni7 h PRO 10 Cb 0.50 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 1ni7 h PRO 10 CO 0.05 1.07 0.57 1.97 -0.23 0.00 0.00 178.00 181.43 1ni7 n PHE 11 N -3.79 0.77 0.00 1.56 1.16 -1.26 -0.97 117.46 114.94 1ni7 n PHE 11 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1ni7 n PHE 11 Cb 0.79 -1.97 0.00 0.00 -1.61 0.00 0.00 39.48 36.69 1ni7 n PHE 11 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ni7 n GLY 12 N 6.25 -0.13 0.00 4.97 0.00 0.26 -3.72 105.19 112.82 1ni7 n GLY 12 Ca 0.48 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1ni7 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ni7 n THR 13 N 0.00 0.00 0.01 2.61 -1.04 -0.94 -3.77 114.28 111.15 1ni7 n THR 13 Ca 0.00 0.47 -0.08 0.00 -2.04 0.00 0.00 64.05 62.39 1ni7 n THR 13 Cb 0.00 -1.43 0.08 0.00 -1.82 0.00 0.00 70.33 67.16 1ni7 n THR 13 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1ni7 h THR 14 N 0.00 1.32 -2.92 12.58 1.35 -1.88 -3.33 112.91 120.02 1ni7 h THR 14 Ca 0.00 -1.74 -0.65 0.00 -0.55 0.00 0.00 66.41 63.47 1ni7 h THR 14 Cb 0.00 1.72 -0.39 0.00 -1.73 0.00 0.00 68.15 67.75 1ni7 h THR 14 CO 0.00 0.54 -0.35 0.52 -0.25 0.00 0.00 175.52 175.98 1ni7 n VAL 15 N -3.98 2.46 -3.15 6.82 0.31 -0.15 -4.88 118.33 115.78 1ni7 n VAL 15 Ca -0.03 -5.10 -0.27 0.00 -0.01 0.00 0.00 64.34 58.93 1ni7 n VAL 15 Cb 0.58 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 1ni7 n VAL 15 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ni7 s THR 16 N -1.78 4.99 0.60 2.52 2.01 -1.25 0.91 115.64 123.63 1ni7 s THR 16 Ca 0.30 0.04 0.28 0.00 0.31 0.00 0.00 61.69 62.62 1ni7 s THR 16 Cb 0.00 -3.79 0.39 0.00 0.01 0.00 0.00 72.50 69.11 1ni7 s THR 16 CO -0.10 -0.50 1.69 0.00 -0.69 0.00 0.00 174.62 175.02 1ni7 h ALA 17 N 1.14 2.43 0.00 7.40 0.00 -1.85 0.10 119.26 128.49 1ni7 h ALA 17 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ni7 h ALA 17 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ni7 h ALA 17 CO 0.64 -1.07 -0.16 1.49 0.00 0.00 0.00 179.25 180.15 1ni7 h GLU 18 N 0.00 0.00 -1.47 0.00 4.22 -1.96 -3.23 114.58 112.14 1ni7 h GLU 18 Ca 0.31 0.00 0.43 0.00 0.08 0.00 0.00 59.36 60.18 1ni7 h GLU 18 Cb 1.78 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.96 1ni7 h GLU 18 CO -0.00 0.00 1.04 1.15 -2.18 0.00 0.00 179.01 179.01 1ni7 h THR 19 N -0.84 0.23 0.14 0.32 2.02 -1.52 0.82 112.91 114.07 1ni7 h THR 19 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ni7 h THR 19 Cb 0.16 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1ni7 h THR 19 CO 0.00 0.01 -0.07 -0.07 0.37 0.00 0.00 175.52 175.76 1ni7 h LEU 20 N 0.05 -0.16 -1.54 2.58 3.38 -0.99 -2.25 115.31 116.37 1ni7 h LEU 20 Ca 0.74 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1ni7 h LEU 20 Cb 2.78 0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.58 1ni7 h LEU 20 CO -0.10 0.13 0.00 0.08 0.09 0.00 0.00 178.44 178.64 1ni7 h ARG 21 N -0.47 0.00 -0.02 1.13 0.11 0.46 -1.48 114.38 114.11 1ni7 h ARG 21 Ca -0.02 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.91 1ni7 h ARG 21 Cb 0.37 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.43 1ni7 h ARG 21 CO 0.03 0.00 -0.68 -0.97 0.10 0.00 0.00 179.97 178.46 1ni7 h ASN 22 N 0.00 0.09 0.55 0.08 -1.24 -0.15 1.15 115.58 116.07 1ni7 h ASN 22 Ca 0.00 -0.06 -0.29 0.00 0.71 0.00 0.00 56.30 56.66 1ni7 h ASN 22 Cb 0.35 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1ni7 h ASN 22 CO 0.00 0.74 -1.49 0.74 -1.29 0.00 0.00 177.43 176.13 1ni7 h THR 23 N 0.05 1.17 0.00 -3.57 2.02 -0.74 -3.33 112.91 108.51 1ni7 h THR 23 Ca -0.01 -2.88 -0.11 0.00 0.77 0.00 0.00 66.41 64.18 1ni7 h THR 23 Cb 1.20 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 70.28 1ni7 h THR 23 CO 0.09 0.78 -0.98 -0.26 0.37 0.00 0.00 175.52 175.52 1ni7 h PHE 24 N 0.04 0.00 -0.97 3.16 0.04 -1.28 -3.31 116.94 114.62 1ni7 h PHE 24 Ca -0.22 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.71 1ni7 h PHE 24 Cb 1.97 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.96 1ni7 h PHE 24 CO 0.04 0.43 -0.35 0.00 -0.60 0.00 0.00 178.31 177.82 1ni7 n ALA 25 N -2.29 -0.05 0.01 2.45 0.00 0.40 -0.02 120.51 121.00 1ni7 n ALA 25 Ca -0.04 0.99 -0.19 0.00 0.00 0.00 0.00 53.44 54.20 1ni7 n ALA 25 Cb 0.74 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 1ni7 n ALA 25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ni7 h PRO 26 N 0.00 0.68 -5.49 0.00 0.13 -1.77 -3.40 132.00 122.15 1ni7 h PRO 26 Ca 0.36 -0.66 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 1ni7 h PRO 26 Cb 0.61 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 1ni7 h PRO 26 CO -0.97 1.26 0.46 -0.51 -0.23 0.00 0.00 178.00 178.01 1ni7 s LEU 27 N -8.27 2.96 0.30 1.56 1.43 0.96 -4.66 118.68 112.96 1ni7 s LEU 27 Ca -0.11 -0.59 0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1ni7 s LEU 27 Cb 0.07 -2.56 0.13 0.00 0.03 0.00 0.00 46.19 43.85 1ni7 s LEU 27 CO 0.90 -3.40 1.39 0.00 0.23 0.00 0.00 176.35 175.47 1ni7 h THR 28 N 7.21 0.44 -2.94 5.49 1.03 -1.79 -3.43 112.91 118.91 1ni7 h THR 28 Ca 0.07 -1.65 -0.55 0.00 -0.01 0.00 0.00 66.41 64.27 1ni7 h THR 28 Cb 0.99 2.14 -0.07 0.00 -1.07 0.00 0.00 68.15 70.14 1ni7 h THR 28 CO 1.12 0.25 1.03 -1.10 -0.01 0.00 0.00 175.52 176.81 1ni7 s GLN 29 N -3.08 3.40 0.53 0.00 -0.21 -1.26 -4.84 119.66 114.19 1ni7 s GLN 29 Ca 0.04 0.23 0.41 0.00 0.02 0.00 0.00 55.36 56.07 1ni7 s GLN 29 Cb 0.07 -4.08 1.60 0.00 1.00 0.00 0.00 33.01 31.61 1ni7 s GLN 29 CO 0.73 -1.84 1.67 2.35 -2.12 0.00 0.00 175.29 176.09 1ni7 h TRP 30 N 10.10 0.10 -0.79 0.91 2.91 -1.98 1.41 115.95 128.61 1ni7 h TRP 30 Ca -0.26 0.00 0.14 0.00 1.13 0.00 0.00 58.89 59.91 1ni7 h TRP 30 Cb 1.07 -0.03 -0.09 0.00 -0.51 0.00 0.00 29.16 29.60 1ni7 h TRP 30 CO 1.05 -0.03 0.35 0.93 -1.03 0.00 0.00 178.44 179.72 1ni7 h GLU 31 N 0.03 0.50 0.42 2.65 5.08 -1.96 0.25 114.58 121.54 1ni7 h GLU 31 Ca 0.77 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 59.08 1ni7 h GLU 31 Cb 2.96 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 32.11 1ni7 h GLU 31 CO -0.08 0.33 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.62 1ni7 h ASP 32 N 0.51 -0.48 -0.75 1.42 3.32 0.16 -0.17 116.42 120.43 1ni7 h ASP 32 Ca 0.43 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.49 1ni7 h ASP 32 Cb 0.63 0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.18 1ni7 h ASP 32 CO -0.38 -0.17 -0.43 0.11 -1.72 0.00 0.00 179.24 176.65 1ni7 h LYS 33 N -0.80 -0.12 0.00 3.56 1.57 -1.23 1.71 116.57 121.26 1ni7 h LYS 33 Ca -0.06 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ni7 h LYS 33 Cb 0.54 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1ni7 h LYS 33 CO 0.09 -0.08 -0.07 -0.92 -0.57 0.00 0.00 179.45 177.90 1ni7 h TYR 34 N -0.13 0.00 0.15 -1.35 3.20 -0.93 0.17 116.97 118.08 1ni7 h TYR 34 Ca 0.23 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1ni7 h TYR 34 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1ni7 h TYR 34 CO -0.79 0.07 -0.07 -0.09 -1.64 0.00 0.00 178.16 175.64 1ni7 h ARG 35 N 0.00 -0.19 -0.57 1.82 2.43 0.40 -3.13 114.38 115.13 1ni7 h ARG 35 Ca -0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1ni7 h ARG 35 Cb 0.16 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1ni7 h ARG 35 CO 0.01 -0.13 0.40 0.37 -1.51 0.00 0.00 179.97 179.11 1ni7 h GLN 36 N -0.61 0.15 -0.73 0.20 -0.00 0.91 0.24 115.11 115.27 1ni7 h GLN 36 Ca -0.02 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.67 1ni7 h GLN 36 Cb 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.56 1ni7 h GLN 36 CO 0.03 0.10 0.48 -0.07 0.00 0.00 0.00 178.83 179.37 1ni7 h LEU 37 N 0.15 0.71 -0.80 -2.39 3.38 -0.74 0.83 115.31 116.46 1ni7 h LEU 37 Ca 0.27 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1ni7 h LEU 37 Cb 0.87 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1ni7 h LEU 37 CO -0.04 0.48 -0.21 0.40 0.09 0.00 0.00 178.44 179.16 1ni7 h ILE 38 N 0.82 1.27 0.00 1.22 2.04 -0.45 -2.25 117.51 120.15 1ni7 h ILE 38 Ca 0.31 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1ni7 h ILE 38 Cb 0.17 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1ni7 h ILE 38 CO -0.10 0.42 -0.13 0.24 0.00 0.00 0.00 178.15 178.58 1ni7 h MET 39 N 0.60 0.00 -0.09 2.37 2.86 -0.76 -2.82 114.93 117.09 1ni7 h MET 39 Ca 0.09 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1ni7 h MET 39 Cb 0.68 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1ni7 h MET 39 CO 0.05 0.13 0.07 -0.07 1.06 0.00 0.00 176.91 178.15 1ni7 h LEU 40 N 0.00 0.00 -0.04 1.22 3.38 -0.32 -1.59 115.31 117.97 1ni7 h LEU 40 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1ni7 h LEU 40 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ni7 h LEU 40 CO 0.02 0.00 -0.50 1.23 0.09 0.00 0.00 178.44 179.27 1ni7 h GLY 41 N 0.00 0.45 0.67 0.83 0.00 -1.57 -3.08 103.07 100.38 1ni7 h GLY 41 Ca 0.04 -0.72 0.10 0.00 0.00 0.00 0.00 47.33 46.76 1ni7 h GLY 41 CO -0.00 0.64 0.59 0.50 0.00 0.00 0.00 176.54 178.26 1ni7 h LYS 42 N -0.09 0.87 -0.42 4.80 1.79 -1.40 -0.74 116.57 121.38 1ni7 h LYS 42 Ca -0.05 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1ni7 h LYS 42 Cb 1.19 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 1ni7 h LYS 42 CO 0.10 0.58 0.28 1.96 -1.08 0.00 0.00 179.45 181.29 1ni7 h GLN 43 N 0.90 0.55 -6.92 3.15 4.20 -1.33 -3.43 115.11 112.24 1ni7 h GLN 43 Ca 0.43 -0.03 -0.56 0.00 0.06 0.00 0.00 58.65 58.55 1ni7 h GLN 43 Cb 0.43 -0.12 0.13 0.00 0.30 0.00 0.00 27.48 28.22 1ni7 h GLN 43 CO -0.19 0.37 0.51 1.28 -0.67 0.00 0.00 178.83 180.13 1ni7 n LEU 44 N -4.80 4.62 -4.81 1.46 4.32 -0.29 -4.97 117.00 112.54 1ni7 n LEU 44 Ca 0.01 1.03 -0.30 0.00 -0.02 0.00 0.00 56.01 56.73 1ni7 n LEU 44 Cb 0.03 -1.53 0.08 0.00 -1.62 0.00 0.00 43.42 40.38 1ni7 n LEU 44 CO 0.34 -0.71 0.71 -2.16 -1.22 0.00 0.00 177.39 174.36 1ni7 s PRO 45 N -2.52 2.21 -0.23 3.23 0.04 -1.26 -4.97 135.00 131.50 1ni7 s PRO 45 Ca 0.66 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1ni7 s PRO 45 Cb -0.46 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1ni7 s PRO 45 CO 0.54 -1.54 1.36 0.00 0.04 0.00 0.00 177.00 177.39 1ni7 s ALA 46 N -3.13 3.46 -0.24 8.56 0.00 -1.26 -4.95 121.76 124.20 1ni7 s ALA 46 Ca 0.60 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 1ni7 s ALA 46 Cb -0.14 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1ni7 s ALA 46 CO 0.54 -1.58 1.59 -1.17 0.00 0.00 0.00 175.76 175.14 1ni7 s LEU 47 N 4.20 3.86 0.63 0.00 2.96 -1.26 -4.98 118.68 124.09 1ni7 s LEU 47 Ca 0.59 1.54 -0.14 0.00 -0.22 0.00 0.00 54.13 55.91 1ni7 s LEU 47 Cb -0.21 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1ni7 s LEU 47 CO 0.22 -1.27 1.05 -2.16 -1.32 0.00 0.00 176.35 172.87 1ni7 s PRO 48 N 4.69 3.22 0.20 0.98 0.04 -1.26 -4.81 135.00 138.05 1ni7 s PRO 48 Ca 0.70 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1ni7 s PRO 48 Cb -0.24 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.47 1ni7 s PRO 48 CO 0.29 -0.88 1.80 -0.44 0.04 0.00 0.00 177.00 177.80 1ni7 h ASP 49 N -0.00 0.46 -0.70 6.66 5.19 -1.97 0.53 116.42 126.59 1ni7 h ASP 49 Ca -0.46 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.13 1ni7 h ASP 49 Cb 1.21 -0.06 -0.11 0.00 0.18 0.00 0.00 39.33 40.56 1ni7 h ASP 49 CO 0.58 0.31 0.12 -0.08 -3.12 0.00 0.00 179.24 177.05 1ni7 h GLU 50 N 0.60 0.22 -0.06 3.56 4.57 -1.99 0.56 114.58 122.04 1ni7 h GLU 50 Ca 0.26 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.20 1ni7 h GLU 50 Cb 0.16 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1ni7 h GLU 50 CO -0.17 0.14 -0.87 -0.07 -1.18 0.00 0.00 179.01 176.86 1ni7 h LEU 51 N 0.22 0.73 -1.22 1.64 -0.00 -1.66 -2.94 115.31 112.08 1ni7 h LEU 51 Ca 0.39 -0.53 0.09 0.00 -0.00 0.00 0.00 57.88 57.83 1ni7 h LEU 51 Cb 0.65 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.03 1ni7 h LEU 51 CO -0.52 1.31 0.56 0.50 -0.00 0.00 0.00 178.44 180.30 1ni7 h LYS 52 N 0.37 0.85 0.00 1.13 3.64 0.26 0.63 116.57 123.44 1ni7 h LYS 52 Ca -0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ni7 h LYS 52 Cb 1.50 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1ni7 h LYS 52 CO 0.16 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 1ni7 h ALA 53 N 1.56 1.00 0.00 5.00 0.00 0.07 -2.29 119.26 124.60 1ni7 h ALA 53 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ni7 h ALA 53 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ni7 h ALA 53 CO -0.16 0.00 -0.34 1.04 0.00 0.00 0.00 179.25 179.79 1ni7 n GLN 54 N -3.01 0.23 -1.77 0.00 3.00 0.21 -4.87 117.38 111.17 1ni7 n GLN 54 Ca 0.02 0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1ni7 n GLN 54 Cb 0.37 -1.69 0.02 0.00 0.00 0.00 0.00 30.24 28.93 1ni7 n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ni7 n ALA 55 N -1.75 0.38 -2.45 -1.58 0.00 -0.36 -4.72 120.51 110.03 1ni7 n ALA 55 Ca 0.05 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.50 1ni7 n ALA 55 Cb 0.42 0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 1ni7 n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ni7 s LYS 56 N -2.84 1.62 -0.23 0.00 1.02 0.62 -4.87 119.74 115.08 1ni7 s LYS 56 Ca 0.18 -1.30 -0.25 0.00 0.02 0.00 0.00 55.97 54.62 1ni7 s LYS 56 Cb -0.01 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1ni7 s LYS 56 CO 0.12 0.45 0.83 -1.21 -0.92 0.00 0.00 175.35 174.62 1ni7 s GLU 57 N -2.24 4.21 0.38 1.68 2.02 -1.26 -1.69 118.70 121.79 1ni7 s GLU 57 Ca 0.17 0.97 -0.10 0.00 0.02 0.00 0.00 54.97 56.03 1ni7 s GLU 57 Cb -0.10 -3.63 -0.07 0.00 0.10 0.00 0.00 34.13 30.44 1ni7 s GLU 57 CO 0.09 -0.47 0.74 0.42 0.02 0.00 0.00 175.26 176.06 1ni7 s ILE 58 N 2.68 4.80 -0.29 -1.63 -1.09 0.47 -4.96 121.20 121.19 1ni7 s ILE 58 Ca 0.36 0.60 0.02 0.00 -2.23 0.00 0.00 60.65 59.40 1ni7 s ILE 58 Cb -0.16 -3.72 0.16 0.00 -1.58 0.00 0.00 42.46 37.17 1ni7 s ILE 58 CO 0.08 -0.46 0.42 0.00 -1.23 0.00 0.00 174.94 173.75 1ni7 s ALA 59 N -2.30 -1.29 0.00 9.38 0.00 -1.26 -3.72 121.76 122.58 1ni7 s ALA 59 Ca 0.51 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1ni7 s ALA 59 Cb -0.10 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1ni7 s ALA 59 CO 0.30 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.75 1ni7 n GLY 60 N 5.36 0.46 2.44 0.00 0.00 -1.26 -5.11 105.19 107.07 1ni7 n GLY 60 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 h GLU 62 N 0.00 0.00 0.00 0.00 4.57 -2.01 -3.44 114.58 113.70 1ni7 h GLU 62 Ca -0.28 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.99 1ni7 h GLU 62 Cb 0.81 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 1ni7 h GLU 62 CO 0.19 0.00 0.30 0.09 -1.18 0.00 0.00 179.01 178.41 1ni7 n ASN 63 N -2.91 -0.75 -4.65 1.04 3.02 -1.26 -5.06 115.26 104.69 1ni7 n ASN 63 Ca -0.02 -1.36 -0.42 0.00 -0.03 0.00 0.00 54.58 52.75 1ni7 n ASN 63 Cb 0.36 1.20 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 1ni7 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ni7 s ARG 64 N -2.02 4.02 -0.04 3.52 1.70 -1.26 -4.63 118.95 120.23 1ni7 s ARG 64 Ca 0.11 2.16 0.05 0.00 -0.47 0.00 0.00 55.73 57.58 1ni7 s ARG 64 Cb -0.01 -4.06 -0.02 0.00 -0.57 0.00 0.00 34.95 30.29 1ni7 s ARG 64 CO 0.02 -1.05 -0.19 0.08 -1.08 0.00 0.00 175.30 173.08 1ni7 s VAL 65 N 4.68 2.66 -0.12 4.99 1.01 -1.24 -4.17 120.40 128.21 1ni7 s VAL 65 Ca 0.78 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1ni7 s VAL 65 Cb -0.33 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1ni7 s VAL 65 CO 0.32 0.59 -0.01 0.26 0.00 0.00 0.00 175.10 176.26 1ni7 s TRP 66 N -0.65 3.11 -0.05 5.22 0.51 -1.18 0.18 118.94 126.08 1ni7 s TRP 66 Ca 0.10 0.00 -0.06 0.00 -2.12 0.00 0.00 56.10 54.02 1ni7 s TRP 66 Cb -0.11 -1.88 0.01 0.00 -0.81 0.00 0.00 33.47 30.69 1ni7 s TRP 66 CO 0.00 0.25 0.17 -1.17 -0.51 0.00 0.00 176.95 175.69 1ni7 s LEU 67 N -0.29 1.36 -0.03 2.99 0.20 -0.68 -1.26 118.68 120.97 1ni7 s LEU 67 Ca 0.06 0.25 -0.03 0.00 0.69 0.00 0.00 54.13 55.10 1ni7 s LEU 67 Cb -0.12 0.62 0.01 0.00 -0.43 0.00 0.00 46.19 46.27 1ni7 s LEU 67 CO 0.02 -0.12 0.09 -0.83 -0.29 0.00 0.00 176.35 175.22 1ni7 s GLY 68 N -0.18 -0.07 0.10 7.98 0.00 -0.52 0.23 107.32 114.86 1ni7 s GLY 68 Ca -0.03 0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.87 1ni7 s GLY 68 CO 0.01 0.21 0.17 -2.52 0.00 0.00 0.00 173.10 170.97 1ni7 s TYR 69 N 0.01 0.27 0.35 1.90 -0.85 -1.26 -0.64 117.35 117.13 1ni7 s TYR 69 Ca -0.00 -0.70 -0.13 0.00 -0.52 0.00 0.00 57.07 55.71 1ni7 s TYR 69 Cb -0.01 -0.12 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1ni7 s TYR 69 CO 0.00 -0.55 0.69 0.95 -1.52 0.00 0.00 175.55 175.11 1ni7 s THR 70 N -3.90 0.00 -0.02 -3.49 -4.23 -1.25 -4.98 115.64 97.77 1ni7 s THR 70 Ca 0.08 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1ni7 s THR 70 Cb 0.05 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1ni7 s THR 70 CO -0.08 0.00 -0.18 0.68 -0.54 0.00 0.00 174.62 174.50 1ni7 s VAL 71 N -2.80 1.40 0.00 2.29 -7.23 -1.26 -3.21 120.40 109.59 1ni7 s VAL 71 Ca 0.19 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1ni7 s VAL 71 Cb -0.04 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1ni7 s VAL 71 CO 0.13 0.40 0.00 0.00 -0.31 0.00 0.00 175.10 175.32 1ni7 n ALA 72 N 2.73 0.00 0.23 1.32 0.00 -1.25 -4.87 120.51 118.67 1ni7 n ALA 72 Ca -0.15 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1ni7 n ALA 72 Cb 0.54 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.52 1ni7 n ALA 72 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ni7 h GLU 73 N 0.00 0.00 0.00 0.00 4.11 -2.01 -2.15 114.58 114.53 1ni7 h GLU 73 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1ni7 h GLU 73 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ni7 h GLU 73 CO 0.00 0.20 -1.68 0.27 0.07 0.00 0.00 179.01 177.87 1ni7 n ASN 74 N -4.15 0.48 0.00 3.06 0.23 -1.26 -4.97 115.26 108.64 1ni7 n ASN 74 Ca -0.02 0.20 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1ni7 n ASN 74 Cb 0.27 0.84 0.00 0.00 -2.08 0.00 0.00 39.78 38.81 1ni7 n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ni7 n GLY 75 N 1.39 2.59 3.51 4.83 0.00 -0.81 -5.02 105.19 111.69 1ni7 n GLY 75 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1ni7 n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ni7 n LYS 76 N -0.76 0.20 -1.94 1.61 5.02 -1.26 -4.05 118.16 116.98 1ni7 n LYS 76 Ca 0.00 -0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 1ni7 n LYS 76 Cb 0.00 -1.83 0.03 0.00 -0.02 0.00 0.00 35.03 33.21 1ni7 n LYS 76 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ni7 s MET 77 N 8.33 3.08 -0.25 1.97 -1.94 -0.95 -3.85 119.30 125.68 1ni7 s MET 77 Ca 1.26 1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 56.55 1ni7 s MET 77 Cb -0.89 -1.99 0.08 0.00 2.01 0.00 0.00 34.83 34.04 1ni7 s MET 77 CO 0.44 -1.02 0.09 -1.01 -0.01 0.00 0.00 175.02 173.51 1ni7 s HIS 78 N -2.31 0.73 0.22 -0.03 3.76 -1.20 -3.95 115.29 112.52 1ni7 s HIS 78 Ca 0.66 -0.93 -0.15 0.00 -0.15 0.00 0.00 55.06 54.50 1ni7 s HIS 78 Cb -0.19 -1.05 -0.08 0.00 1.11 0.00 0.00 32.58 32.37 1ni7 s HIS 78 CO 0.38 -0.72 0.63 -0.06 -0.85 0.00 0.00 174.74 174.12 1ni7 s PHE 79 N 1.96 3.54 -0.29 1.40 0.40 -1.26 -3.88 117.98 119.84 1ni7 s PHE 79 Ca 0.05 1.15 -0.14 0.00 -0.60 0.00 0.00 56.93 57.39 1ni7 s PHE 79 Cb -0.16 -2.45 0.13 0.00 0.51 0.00 0.00 43.02 41.04 1ni7 s PHE 79 CO -0.22 0.31 0.83 -0.59 0.70 0.00 0.00 175.22 176.24 1ni7 s PHE 80 N -1.65 -0.90 0.00 0.36 -0.12 0.18 -4.99 117.98 110.87 1ni7 s PHE 80 Ca 0.44 1.69 0.00 0.00 -0.05 0.00 0.00 56.93 59.01 1ni7 s PHE 80 Cb -0.14 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1ni7 s PHE 80 CO 0.20 -0.45 0.00 0.41 -0.05 0.00 0.00 175.22 175.33 1ni7 n GLY 81 N 4.51 3.87 0.00 1.99 0.00 -1.26 -1.44 105.19 112.86 1ni7 n GLY 81 Ca -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ni7 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ni7 n ASP 82 N 0.00 0.00 -3.48 1.61 5.75 -0.39 -4.89 116.55 115.15 1ni7 n ASP 82 Ca 0.00 -0.89 -0.11 0.00 -0.01 0.00 0.00 54.79 53.79 1ni7 n ASP 82 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ni7 s SER 83 N -0.66 -0.47 0.29 -1.12 0.15 -1.26 -3.10 113.70 107.53 1ni7 s SER 83 Ca 0.00 0.09 0.21 0.00 0.70 0.00 0.00 55.95 56.95 1ni7 s SER 83 Cb 0.00 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 64.90 1ni7 s SER 83 CO 0.00 -0.73 1.28 1.05 1.20 0.00 0.00 173.24 176.05 1ni7 h GLU 84 N 2.12 0.00 -4.87 5.44 -0.00 -1.94 -3.44 114.58 111.89 1ni7 h GLU 84 Ca -0.27 0.00 -0.66 0.00 -0.00 0.00 0.00 59.36 58.44 1ni7 h GLU 84 Cb 1.25 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 29.78 1ni7 h GLU 84 CO 0.34 0.09 -0.59 0.20 -0.00 0.00 0.00 179.01 179.05 1ni7 s GLY 85 N -4.36 1.82 0.20 1.06 0.00 -1.26 -4.99 107.32 99.79 1ni7 s GLY 85 Ca 0.03 -1.23 -0.20 0.00 0.00 0.00 0.00 44.72 43.31 1ni7 s GLY 85 CO 0.74 0.61 1.57 3.21 0.00 0.00 0.00 173.10 179.24 1ni7 h ARG 86 N 8.30 -0.11 -0.30 2.90 -0.00 -1.87 1.07 114.38 124.36 1ni7 h ARG 86 Ca -0.35 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.17 1ni7 h ARG 86 Cb 1.16 0.02 -0.07 0.00 0.00 0.00 0.00 29.97 31.09 1ni7 h ARG 86 CO 0.59 -0.07 -0.47 0.97 0.00 0.00 0.00 179.97 180.98 1ni7 h ILE 87 N -0.11 0.00 -0.79 2.04 6.09 -1.84 0.22 117.51 123.13 1ni7 h ILE 87 Ca 0.26 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.84 1ni7 h ILE 87 Cb 0.57 0.00 -0.07 0.00 0.47 0.00 0.00 36.82 37.79 1ni7 h ILE 87 CO -0.78 0.00 0.45 0.58 -3.07 0.00 0.00 178.15 175.32 1ni7 h VAL 88 N -0.37 0.92 -0.80 2.19 2.07 -1.42 0.18 116.25 119.03 1ni7 h VAL 88 Ca 0.05 -0.26 0.21 0.00 0.82 0.00 0.00 66.70 67.52 1ni7 h VAL 88 Cb 0.52 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1ni7 h VAL 88 CO -0.48 0.14 0.55 -0.09 0.02 0.00 0.00 177.57 177.72 1ni7 h ARG 89 N 0.77 0.15 0.06 1.57 2.43 0.38 -0.52 114.38 119.22 1ni7 h ARG 89 Ca 0.37 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1ni7 h ARG 89 Cb 0.31 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1ni7 h ARG 89 CO -0.23 0.10 -0.39 0.78 -1.51 0.00 0.00 179.97 178.72 1ni7 h GLY 90 N 0.16 0.18 -0.00 2.80 0.00 0.22 -3.16 103.07 103.28 1ni7 h GLY 90 Ca 0.39 -0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.43 1ni7 h GLY 90 CO -0.07 0.38 0.18 1.41 0.00 0.00 0.00 176.54 178.45 1ni7 h LEU 91 N -0.64 0.04 -0.06 3.11 3.38 0.02 0.42 115.31 121.57 1ni7 h LEU 91 Ca -0.07 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1ni7 h LEU 91 Cb 1.28 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 1ni7 h LEU 91 CO 0.07 -0.01 -0.17 -0.07 0.09 0.00 0.00 178.44 178.35 1ni7 h LEU 92 N 0.28 -0.50 -0.57 1.67 3.38 -1.25 0.11 115.31 118.43 1ni7 h LEU 92 Ca 0.39 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.55 1ni7 h LEU 92 Cb 0.65 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 1ni7 h LEU 92 CO -0.48 -0.22 -0.33 0.00 0.09 0.00 0.00 178.44 177.49 1ni7 h ALA 93 N 0.73 -0.06 -0.94 1.53 0.00 -0.91 1.56 119.26 121.16 1ni7 h ALA 93 Ca 0.07 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1ni7 h ALA 93 Cb 0.35 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1ni7 h ALA 93 CO -0.20 -0.68 0.61 0.28 0.00 0.00 0.00 179.25 179.25 1ni7 h VAL 94 N -0.17 1.06 0.45 0.00 2.07 -0.61 0.33 116.25 119.38 1ni7 h VAL 94 Ca 0.22 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1ni7 h VAL 94 Cb 0.55 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1ni7 h VAL 94 CO -0.66 0.19 -0.22 0.25 0.02 0.00 0.00 177.57 177.15 1ni7 h LEU 95 N 1.06 -0.51 -2.03 2.57 6.46 0.30 -2.22 115.31 120.94 1ni7 h LEU 95 Ca 0.41 -0.09 0.13 0.00 -0.12 0.00 0.00 57.88 58.21 1ni7 h LEU 95 Cb 0.21 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1ni7 h LEU 95 CO -0.16 -0.18 0.35 -0.07 -0.62 0.00 0.00 178.44 177.76 1ni7 h LEU 96 N -0.87 0.00 -1.18 2.25 4.07 0.24 0.71 115.31 120.52 1ni7 h LEU 96 Ca -0.06 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1ni7 h LEU 96 Cb 0.57 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1ni7 h LEU 96 CO 0.10 0.00 -0.32 0.74 -1.08 0.00 0.00 178.44 177.88 1ni7 h THR 97 N 0.00 0.87 -0.12 0.22 2.02 0.06 -2.45 112.91 113.51 1ni7 h THR 97 Ca 0.21 -1.28 -0.17 0.00 0.77 0.00 0.00 66.41 65.94 1ni7 h THR 97 Cb 0.90 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1ni7 h THR 97 CO -0.00 0.31 -0.65 0.00 0.37 0.00 0.00 175.52 175.55 1ni7 h ALA 98 N 1.68 0.64 -0.98 6.16 0.00 0.10 -2.89 119.26 123.98 1ni7 h ALA 98 Ca -0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 54.91 53.82 1ni7 h ALA 98 Cb 0.75 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.17 1ni7 h ALA 98 CO 0.04 0.72 0.67 1.33 0.00 0.00 0.00 179.25 182.02 1ni7 n VAL 99 N -3.90 3.21 -1.54 0.00 0.24 -1.00 -4.94 118.33 110.41 1ni7 n VAL 99 Ca -0.04 -1.99 -0.27 0.00 -2.04 0.00 0.00 64.34 60.00 1ni7 n VAL 99 Cb 0.66 -0.56 -0.08 0.00 -1.47 0.00 0.00 33.84 32.39 1ni7 n VAL 99 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ni7 n GLU 100 N -1.08 0.64 -3.46 7.34 0.00 -0.96 -3.37 120.64 119.75 1ni7 n GLU 100 Ca 0.59 -0.31 -0.33 0.00 0.00 0.00 0.00 57.16 57.11 1ni7 n GLU 100 Cb 1.54 -3.07 0.03 0.00 0.00 0.00 0.00 31.44 29.94 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ni7 n GLY 101 N 6.31 -0.22 3.23 8.31 0.00 -1.26 -5.00 105.19 116.56 1ni7 n GLY 101 Ca 0.47 1.09 -0.09 0.00 0.00 0.00 0.00 46.02 47.49 1ni7 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni7 s LYS 102 N -2.81 0.98 0.36 1.61 1.02 -1.22 -4.90 119.74 114.78 1ni7 s LYS 102 Ca 0.31 -1.22 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 1ni7 s LYS 102 Cb -0.04 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.48 1ni7 s LYS 102 CO 0.87 -0.32 0.93 0.95 -0.92 0.00 0.00 175.35 176.86 1ni7 s THR 103 N -3.97 4.30 0.18 2.17 -4.23 -1.26 -2.23 115.64 110.60 1ni7 s THR 103 Ca 0.16 1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 62.09 1ni7 s THR 103 Cb 0.05 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 70.11 1ni7 s THR 103 CO -0.02 -0.03 1.55 0.00 -0.54 0.00 0.00 174.62 175.58 1ni7 h ALA 104 N 2.69 -0.26 -0.43 3.99 0.00 -1.94 0.39 119.26 123.70 1ni7 h ALA 104 Ca -0.48 0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1ni7 h ALA 104 Cb 1.19 1.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.99 1ni7 h ALA 104 CO 0.63 -0.82 -0.31 0.00 0.00 0.00 0.00 179.25 178.76 1ni7 h ALA 105 N 0.80 -0.13 -1.05 0.00 0.00 -1.92 0.45 119.26 117.41 1ni7 h ALA 105 Ca 0.22 0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.54 1ni7 h ALA 105 Cb 0.53 0.69 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 1ni7 h ALA 105 CO -0.86 -0.70 0.63 0.93 0.00 0.00 0.00 179.25 179.26 1ni7 h GLU 106 N -0.23 0.40 -0.68 0.00 4.39 -0.66 1.00 114.58 118.80 1ni7 h GLU 106 Ca 0.19 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1ni7 h GLU 106 Cb 0.53 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1ni7 h GLU 106 CO -0.56 0.27 0.30 -0.07 -1.16 0.00 0.00 179.01 177.79 1ni7 h LEU 107 N 0.41 0.92 -1.06 1.33 3.38 0.15 0.83 115.31 121.26 1ni7 h LEU 107 Ca 0.67 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.43 1ni7 h LEU 107 Cb 1.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1ni7 h LEU 107 CO -0.45 0.82 -0.28 1.56 0.09 0.00 0.00 178.44 180.18 1ni7 h GLN 108 N 0.96 0.00 0.00 1.13 4.20 0.17 -2.68 115.11 118.88 1ni7 h GLN 108 Ca 0.23 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.76 1ni7 h GLN 108 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1ni7 h GLN 108 CO -0.02 0.28 -1.11 0.00 -0.67 0.00 0.00 178.83 177.30 1ni7 h ALA 109 N 1.72 0.62 -3.37 3.87 0.00 0.53 -3.43 119.26 119.20 1ni7 h ALA 109 Ca -0.00 -0.84 -0.68 0.00 0.00 0.00 0.00 54.91 53.39 1ni7 h ALA 109 Cb 0.79 0.13 -0.32 0.00 0.00 0.00 0.00 17.79 18.39 1ni7 h ALA 109 CO 0.04 0.99 -0.73 -1.14 0.00 0.00 0.00 179.25 178.41 1ni7 s GLN 110 N -2.85 2.69 -0.14 0.00 -0.44 0.28 -5.06 119.66 114.13 1ni7 s GLN 110 Ca -0.00 -1.08 -0.29 0.00 -2.50 0.00 0.00 55.36 51.48 1ni7 s GLN 110 Cb 0.08 -3.04 -0.05 0.00 -1.64 0.00 0.00 33.01 28.36 1ni7 s GLN 110 CO 0.80 -0.48 1.81 -1.12 0.50 0.00 0.00 175.29 176.80 1ni7 s SER 111 N 1.29 6.26 0.34 6.67 0.01 -1.26 -4.60 113.70 122.42 1ni7 s SER 111 Ca -0.02 1.98 0.26 0.00 1.31 0.00 0.00 55.95 59.48 1ni7 s SER 111 Cb -0.18 -2.53 0.89 0.00 0.21 0.00 0.00 66.02 64.41 1ni7 s SER 111 CO -0.03 -1.30 1.77 1.55 0.41 0.00 0.00 173.24 175.63 1ni7 h PRO 112 N 11.35 0.00 0.12 12.44 0.13 -1.92 -3.01 132.00 151.11 1ni7 h PRO 112 Ca -0.39 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.43 1ni7 h PRO 112 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ni7 h PRO 112 CO 0.97 0.00 -1.55 -0.07 -0.23 0.00 0.00 178.00 177.12 1ni7 h LEU 113 N 0.00 0.41 -1.35 1.56 3.38 -1.96 -3.31 115.31 114.05 1ni7 h LEU 113 Ca 0.00 -0.57 0.44 0.00 0.09 0.00 0.00 57.88 57.84 1ni7 h LEU 113 Cb 0.63 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.11 1ni7 h LEU 113 CO 0.00 1.48 0.82 0.00 0.09 0.00 0.00 178.44 180.83 1ni7 h ALA 114 N 0.46 2.68 0.37 1.53 0.00 -1.92 0.86 119.26 123.23 1ni7 h ALA 114 Ca -0.25 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ni7 h ALA 114 Cb 2.02 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.02 1ni7 h ALA 114 CO 0.16 -1.34 -0.34 -0.07 0.00 0.00 0.00 179.25 177.66 1ni7 h LEU 115 N 0.07 -0.92 -0.57 0.00 4.07 -1.71 1.31 115.31 117.56 1ni7 h LEU 115 Ca 0.84 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.99 1ni7 h LEU 115 Cb 2.58 0.31 -0.10 0.00 1.08 0.00 0.00 40.66 44.53 1ni7 h LEU 115 CO -0.47 -0.49 -0.05 -0.26 -1.08 0.00 0.00 178.44 176.09 1ni7 h PHE 116 N -0.73 -0.14 -0.41 1.13 0.04 0.54 1.07 116.94 118.45 1ni7 h PHE 116 Ca -0.03 0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1ni7 h PHE 116 Cb 0.65 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1ni7 h PHE 116 CO -0.19 -0.19 0.01 0.22 -0.60 0.00 0.00 178.31 177.56 1ni7 h ASP 117 N 0.07 0.70 -0.23 2.17 1.82 -0.99 1.47 116.42 121.43 1ni7 h ASP 117 Ca 0.29 -0.30 0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1ni7 h ASP 117 Cb 0.45 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1ni7 h ASP 117 CO -0.52 0.83 0.11 -0.33 -1.61 0.00 0.00 179.24 177.71 1ni7 h GLU 118 N 0.55 0.22 -0.01 0.28 4.39 0.36 -2.19 114.58 118.18 1ni7 h GLU 118 Ca 0.12 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.64 1ni7 h GLU 118 Cb 0.47 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1ni7 h GLU 118 CO 0.02 0.15 -0.76 -0.07 -1.16 0.00 0.00 179.01 177.19 1ni7 h LEU 119 N 0.23 0.11 -1.07 1.33 3.38 0.12 -3.48 115.31 115.93 1ni7 h LEU 119 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ni7 h LEU 119 Cb 0.04 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ni7 h LEU 119 CO -0.07 0.82 -0.03 0.61 0.09 0.00 0.00 178.44 179.86 1ni7 n GLY 120 N 0.63 0.86 0.06 0.83 0.00 0.49 -5.00 105.19 103.06 1ni7 n GLY 120 Ca -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ni7 h LEU 121 N -0.12 0.00 -1.98 0.99 3.38 -1.41 -3.35 115.31 112.83 1ni7 h LEU 121 Ca -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ni7 h LEU 121 Cb 1.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ni7 h LEU 121 CO 0.02 0.70 0.04 0.54 0.09 0.00 0.00 178.44 179.83 1ni7 n ARG 122 N -4.67 2.15 0.29 1.13 1.74 -1.26 -4.05 116.66 111.98 1ni7 n ARG 122 Ca -0.06 -1.03 0.15 0.00 -0.77 0.00 0.00 57.85 56.14 1ni7 n ARG 122 Cb 0.19 -1.70 0.87 0.00 -1.02 0.00 0.00 32.46 30.80 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ni7 h ALA 123 N 2.50 1.33 0.00 7.54 0.00 -1.82 0.18 119.26 128.99 1ni7 h ALA 123 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ni7 h ALA 123 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ni7 h ALA 123 CO 0.20 0.07 -0.20 -0.56 0.00 0.00 0.00 179.25 178.75 1ni7 h GLN 124 N 0.00 0.00 -6.12 0.00 3.07 -1.87 -3.46 115.11 106.73 1ni7 h GLN 124 Ca -0.00 0.00 -0.76 0.00 0.09 0.00 0.00 58.65 57.98 1ni7 h GLN 124 Cb 0.17 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.76 1ni7 h GLN 124 CO 0.01 0.00 0.54 1.47 0.09 0.00 0.00 178.83 180.94 1ni7 n LEU 125 N -2.40 1.40 0.00 0.06 -0.00 0.61 -4.91 117.00 111.77 1ni7 n LEU 125 Ca 0.04 1.13 -0.23 0.00 -0.00 0.00 0.00 56.01 56.96 1ni7 n LEU 125 Cb 0.46 -1.05 0.21 0.00 -0.00 0.00 0.00 43.42 43.03 1ni7 n LEU 125 CO 0.33 -1.02 0.37 -0.24 -0.00 0.00 0.00 177.39 176.82 1ni7 n SER 126 N 3.40 -2.70 0.16 1.45 2.88 -1.26 -4.77 113.62 112.77 1ni7 n SER 126 Ca 0.24 -0.85 0.01 0.00 -1.33 0.00 0.00 58.87 56.94 1ni7 n SER 126 Cb 0.10 -0.76 0.28 0.00 -0.75 0.00 0.00 64.21 63.08 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ni7 h ALA 127 N -2.89 1.22 0.06 -1.46 0.00 -2.01 -2.86 119.26 111.32 1ni7 h ALA 127 Ca -0.31 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.01 1ni7 h ALA 127 Cb 0.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ni7 h ALA 127 CO 0.19 0.58 -0.89 1.03 0.00 0.00 0.00 179.25 180.16 1ni7 h SER 128 N 0.03 0.19 -1.23 0.00 0.87 -2.01 -3.32 113.55 108.09 1ni7 h SER 128 Ca -0.00 -0.82 0.36 0.00 -1.23 0.00 0.00 61.79 60.09 1ni7 h SER 128 Cb 0.82 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 1ni7 h SER 128 CO 0.06 1.38 0.92 0.03 -0.53 0.00 0.00 176.83 178.69 1ni7 h ARG 129 N -0.68 0.00 -0.63 2.24 3.08 -1.88 1.27 114.38 117.77 1ni7 h ARG 129 Ca -0.21 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1ni7 h ARG 129 Cb 1.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 1ni7 h ARG 129 CO -0.01 0.00 0.21 1.03 -1.07 0.00 0.00 179.97 180.13 1ni7 h SER 130 N 0.00 0.87 -0.01 7.04 0.87 -1.60 -1.07 113.55 119.65 1ni7 h SER 130 Ca 0.59 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1ni7 h SER 130 Cb 2.42 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 64.16 1ni7 h SER 130 CO -0.01 0.81 0.03 1.56 -0.53 0.00 0.00 176.83 178.70 1ni7 h GLN 131 N 0.92 0.00 0.00 2.24 7.50 0.15 0.69 115.11 126.61 1ni7 h GLN 131 Ca 0.21 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 59.14 1ni7 h GLN 131 Cb 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.73 1ni7 h GLN 131 CO -0.01 0.00 -1.23 0.78 -1.50 0.00 0.00 178.83 176.86 1ni7 h GLY 132 N 0.00 0.00 0.77 3.46 0.00 -1.19 -3.18 103.07 102.93 1ni7 h GLY 132 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1ni7 h GLY 132 CO -0.00 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.46 1ni7 h LEU 133 N 0.00 -0.18 -1.51 3.11 6.46 -0.56 -2.04 115.31 120.58 1ni7 h LEU 133 Ca -0.13 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.51 1ni7 h LEU 133 Cb 1.76 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.70 1ni7 h LEU 133 CO 0.09 0.08 0.40 -0.55 -0.62 0.00 0.00 178.44 177.84 1ni7 h ASN 134 N -0.45 0.53 -0.67 1.25 7.08 -1.60 -0.23 115.58 121.49 1ni7 h ASN 134 Ca -0.02 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.22 1ni7 h ASN 134 Cb 0.35 -0.11 -0.04 0.00 -2.08 0.00 0.00 38.32 36.44 1ni7 h ASN 134 CO 0.04 0.35 0.43 0.00 -2.08 0.00 0.00 177.43 176.16 1ni7 h ALA 135 N 1.67 0.86 -0.51 4.14 0.00 -1.45 0.70 119.26 124.68 1ni7 h ALA 135 Ca 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ni7 h ALA 135 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ni7 h ALA 135 CO -0.08 0.22 0.25 -0.07 0.00 0.00 0.00 179.25 179.57 1ni7 h LEU 136 N 0.86 0.67 0.02 0.00 3.38 -0.36 -2.82 115.31 117.06 1ni7 h LEU 136 Ca 0.26 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ni7 h LEU 136 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ni7 h LEU 136 CO -0.08 0.61 -0.01 -1.28 0.09 0.00 0.00 178.44 177.77 1ni7 h SER 137 N 0.68 -0.02 -1.17 -0.43 0.87 -0.54 -2.68 113.55 110.26 1ni7 h SER 137 Ca 0.18 -0.20 0.41 0.00 -1.23 0.00 0.00 61.79 60.94 1ni7 h SER 137 Cb 0.12 0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 61.94 1ni7 h SER 137 CO -0.02 0.19 0.71 -0.33 -0.53 0.00 0.00 176.83 176.84 1ni7 h GLU 138 N -0.24 0.10 -0.64 2.24 4.39 0.59 1.60 114.58 122.62 1ni7 h GLU 138 Ca -0.00 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.78 1ni7 h GLU 138 Cb 0.23 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.78 1ni7 h GLU 138 CO 0.00 0.07 0.27 0.00 -1.16 0.00 0.00 179.01 178.19 1ni7 h ALA 139 N 1.77 0.85 -0.03 3.43 0.00 -1.23 1.46 119.26 125.51 1ni7 h ALA 139 Ca 0.82 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.69 1ni7 h ALA 139 Cb 2.31 0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.13 1ni7 h ALA 139 CO -0.56 -0.15 -0.42 0.82 0.00 0.00 0.00 179.25 178.94 1ni7 h ILE 140 N 0.47 1.46 -0.64 0.00 2.04 0.21 -2.45 117.51 118.59 1ni7 h ILE 140 Ca 0.32 -1.93 0.08 0.00 1.00 0.00 0.00 64.86 64.33 1ni7 h ILE 140 Cb 0.38 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.94 1ni7 h ILE 140 CO -0.29 0.55 0.30 0.40 0.00 0.00 0.00 178.15 179.11 1ni7 h ILE 141 N -0.22 0.86 -0.47 -0.67 1.08 -0.01 0.88 117.51 118.97 1ni7 h ILE 141 Ca -0.05 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1ni7 h ILE 141 Cb 1.12 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1ni7 h ILE 141 CO 0.08 0.10 0.16 0.00 -0.69 0.00 0.00 178.15 177.80 1ni7 h ALA 142 N 1.39 1.41 -0.19 1.87 0.00 0.20 0.55 119.26 124.49 1ni7 h ALA 142 Ca 0.31 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1ni7 h ALA 142 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ni7 h ALA 142 CO -0.25 0.44 -0.35 0.00 0.00 0.00 0.00 179.25 179.09 1ni7 h ALA 143 N 1.51 0.30 -0.02 0.00 0.00 -0.27 -3.01 119.26 117.76 1ni7 h ALA 143 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ni7 h ALA 143 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ni7 h ALA 143 CO -0.01 0.36 0.01 1.79 0.00 0.00 0.00 179.25 181.39 1ni7 h THR 144 N 0.24 1.20 -1.17 0.00 1.35 0.12 -1.18 112.91 113.46 1ni7 h THR 144 Ca 0.01 -0.58 0.34 0.00 -0.55 0.00 0.00 66.41 65.63 1ni7 h THR 144 Cb 0.94 1.55 -0.10 0.00 -1.73 0.00 0.00 68.15 68.81 1ni7 h THR 144 CO 0.08 0.16 0.77 0.11 -0.25 0.00 0.00 175.52 176.39 1ni7 h LYS 145 N -0.20 0.22 0.16 4.72 1.57 0.05 0.98 116.57 124.09 1ni7 h LYS 145 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ni7 h LYS 145 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ni7 h LYS 145 CO 0.00 0.15 -0.08 1.96 -0.57 0.00 0.00 179.45 180.91 1ni7 h GLN 146 N 0.23 -0.21 -0.42 3.15 1.08 -1.31 -2.12 115.11 115.50 1ni7 h GLN 146 Ca 0.67 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.97 1ni7 h GLN 146 Cb 2.01 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 29.41 1ni7 h GLN 146 CO -0.29 0.12 -0.09 0.28 -0.95 0.00 0.00 178.83 177.91 1ni7 h VAL 147 N -0.97 0.59 0.15 -0.54 2.07 0.27 -1.73 116.25 116.09 1ni7 h VAL 147 Ca -0.02 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ni7 h VAL 147 Cb 0.43 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1ni7 h VAL 147 CO 0.04 0.00 -0.36 -0.07 0.02 0.00 0.00 177.57 177.20 1ni7 h LEU 148 N 0.02 -1.04 0.00 2.57 3.38 0.79 -3.51 115.31 117.52 1ni7 h LEU 148 Ca 0.21 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ni7 h LEU 148 Cb 0.31 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ni7 h LEU 148 CO -0.42 -0.45 0.00 -0.62 0.09 0.00 0.00 178.44 177.04