#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 s THR 2 N 0.00 0.64 0.16 2.03 -1.32 -1.26 -5.16 115.64 110.73 1ni7 s THR 2 Ca 0.00 -1.00 0.04 0.00 -1.21 0.00 0.00 61.69 59.52 1ni7 s THR 2 Cb 0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.29 1ni7 s THR 2 CO 0.00 -0.28 0.16 0.20 -2.21 0.00 0.00 174.62 172.49 1ni7 s ASN 3 N -1.40 5.66 0.62 8.08 0.01 -1.26 -5.11 114.94 121.55 1ni7 s ASN 3 Ca -0.07 -0.07 -0.14 0.00 -0.71 0.00 0.00 52.86 51.87 1ni7 s ASN 3 Cb -0.09 -1.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.02 1ni7 s ASN 3 CO 0.01 0.07 1.05 -2.16 -1.51 0.00 0.00 177.10 174.56 1ni7 s PRO 4 N -3.08 3.26 -0.11 -0.60 0.04 -1.26 -5.06 135.00 128.18 1ni7 s PRO 4 Ca 0.31 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1ni7 s PRO 4 Cb -0.10 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ni7 s PRO 4 CO 0.24 -0.85 -0.04 -0.65 0.04 0.00 0.00 177.00 175.75 1ni7 s GLN 5 N -4.39 1.11 1.09 4.56 -1.52 -1.26 -5.14 119.66 114.10 1ni7 s GLN 5 Ca 0.61 -0.16 -0.15 0.00 -1.95 0.00 0.00 55.36 53.71 1ni7 s GLN 5 Cb -0.15 -1.45 0.23 0.00 -0.22 0.00 0.00 33.01 31.43 1ni7 s GLN 5 CO 0.42 -0.33 1.10 0.12 -0.25 0.00 0.00 175.29 176.36 1ni7 s PHE 6 N 1.81 1.43 -0.03 0.91 5.36 -1.26 -5.04 117.98 121.16 1ni7 s PHE 6 Ca 0.04 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 56.74 1ni7 s PHE 6 Cb -0.13 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1ni7 s PHE 6 CO -0.07 -3.32 -0.06 0.00 -1.46 0.00 0.00 175.22 170.32 1ni7 n ALA 7 N -4.42 0.20 0.00 11.12 0.00 -1.26 -5.09 120.51 121.06 1ni7 n ALA 7 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ni7 n ALA 7 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 8 N 1.53 2.74 1.97 0.00 0.00 -1.26 -4.89 105.19 105.29 1ni7 n GLY 8 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1ni7 n GLY 8 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ni7 n HIS 9 N -1.95 -4.06 -0.76 1.61 -0.00 -1.26 -4.64 115.22 104.16 1ni7 n HIS 9 Ca 0.00 2.43 -0.10 0.00 -0.00 0.00 0.00 57.72 60.05 1ni7 n HIS 9 Cb 0.00 -3.48 -0.12 0.00 -0.00 0.00 0.00 29.99 26.39 1ni7 n HIS 9 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ni7 n PRO 10 N 1.54 1.53 -0.79 1.57 -0.04 -1.26 -4.72 135.00 132.83 1ni7 n PRO 10 Ca 0.00 -0.78 -0.23 0.00 -0.04 0.00 0.00 63.50 62.45 1ni7 n PRO 10 Cb 0.00 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 1ni7 n PRO 10 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1ni7 n PHE 11 N 2.66 1.46 0.00 0.54 1.16 -1.26 0.36 117.46 122.38 1ni7 n PHE 11 Ca 0.33 -2.06 0.00 0.00 -1.87 0.00 0.00 57.45 53.85 1ni7 n PHE 11 Cb 0.68 -1.74 0.00 0.00 -1.61 0.00 0.00 39.48 36.80 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 3.75 0.43 0.00 4.97 0.00 -0.84 -2.98 105.19 110.53 1ni7 n GLY 12 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.03 2.61 -1.04 -0.97 -4.68 114.28 110.17 1ni7 n THR 13 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1ni7 n THR 13 Cb 0.00 -0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 67.74 1ni7 n THR 13 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1ni7 h THR 14 N 0.00 1.40 -2.09 12.58 2.02 -1.96 -3.35 112.91 121.51 1ni7 h THR 14 Ca 0.00 -1.31 -0.74 0.00 0.77 0.00 0.00 66.41 65.13 1ni7 h THR 14 Cb 0.00 2.16 -0.17 0.00 -1.74 0.00 0.00 68.15 68.39 1ni7 h THR 14 CO 0.00 0.36 1.42 0.52 0.37 0.00 0.00 175.52 178.19 1ni7 n VAL 15 N -4.71 4.25 -2.79 3.16 0.31 0.16 -4.75 118.33 113.95 1ni7 n VAL 15 Ca -0.08 -4.69 -0.21 0.00 -0.01 0.00 0.00 64.34 59.35 1ni7 n VAL 15 Cb 0.32 -2.46 0.03 0.00 -0.91 0.00 0.00 33.84 30.82 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 1.58 3.10 0.62 2.52 2.01 -1.26 -1.98 115.64 122.24 1ni7 s THR 16 Ca 0.43 -0.66 0.34 0.00 0.31 0.00 0.00 61.69 62.11 1ni7 s THR 16 Cb -0.02 -3.14 0.38 0.00 0.01 0.00 0.00 72.50 69.73 1ni7 s THR 16 CO 0.01 -0.10 2.23 0.00 -0.69 0.00 0.00 174.62 176.07 1ni7 h ALA 17 N 0.23 1.42 0.00 7.40 0.00 -1.92 -1.06 119.26 125.33 1ni7 h ALA 17 Ca -0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ni7 h ALA 17 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ni7 h ALA 17 CO 0.53 -0.10 -0.11 1.49 0.00 0.00 0.00 179.25 181.07 1ni7 h GLU 18 N 0.00 0.00 -1.20 0.00 4.81 -1.95 -3.20 114.58 113.05 1ni7 h GLU 18 Ca 0.02 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.59 1ni7 h GLU 18 Cb 0.17 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1ni7 h GLU 18 CO -0.00 0.02 0.81 1.15 -0.73 0.00 0.00 179.01 180.26 1ni7 h THR 19 N -1.00 0.38 0.39 0.32 2.02 -1.77 0.32 112.91 113.56 1ni7 h THR 19 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1ni7 h THR 19 Cb 0.13 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1ni7 h THR 19 CO -0.00 0.03 -0.19 -0.07 0.37 0.00 0.00 175.52 175.67 1ni7 h LEU 20 N 0.18 -0.44 -2.55 2.58 3.38 -1.32 -1.83 115.31 115.31 1ni7 h LEU 20 Ca 0.64 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1ni7 h LEU 20 Cb 2.10 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.96 1ni7 h LEU 20 CO -0.20 -0.21 0.00 0.08 0.09 0.00 0.00 178.44 178.20 1ni7 h ARG 21 N -0.65 0.00 -0.11 1.13 0.11 -0.44 0.73 114.38 115.15 1ni7 h ARG 21 Ca -0.05 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 1ni7 h ARG 21 Cb 0.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 1ni7 h ARG 21 CO 0.09 0.00 -0.26 -0.97 0.10 0.00 0.00 179.97 178.92 1ni7 h ASN 22 N 0.00 0.20 0.83 0.08 -0.73 -0.25 1.60 115.58 117.31 1ni7 h ASN 22 Ca 0.00 -0.06 -0.24 0.00 1.87 0.00 0.00 56.30 57.88 1ni7 h ASN 22 Cb 0.02 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 1ni7 h ASN 22 CO 0.00 0.47 -1.24 0.74 -0.37 0.00 0.00 177.43 177.03 1ni7 h THR 23 N 0.18 1.39 0.00 -3.57 2.02 -0.77 -3.31 112.91 108.85 1ni7 h THR 23 Ca 0.03 -3.14 -0.11 0.00 0.77 0.00 0.00 66.41 63.96 1ni7 h THR 23 Cb 0.57 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.64 1ni7 h THR 23 CO 0.04 0.79 -1.00 -0.26 0.37 0.00 0.00 175.52 175.46 1ni7 h PHE 24 N 0.00 0.00 -0.94 3.16 0.04 -1.16 -3.33 116.94 114.71 1ni7 h PHE 24 Ca -0.11 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.82 1ni7 h PHE 24 Cb 1.84 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.83 1ni7 h PHE 24 CO 0.00 0.44 -0.32 0.00 -0.60 0.00 0.00 178.31 177.82 1ni7 n ALA 25 N -2.30 -0.00 0.09 2.45 0.00 0.54 0.14 120.51 121.42 1ni7 n ALA 25 Ca -0.04 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.30 1ni7 n ALA 25 Cb 0.75 -0.49 0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 0.17 -5.77 0.00 0.13 -1.77 -3.40 132.00 121.36 1ni7 h PRO 26 Ca 0.37 -0.17 -0.37 0.00 -0.87 0.00 0.00 66.00 64.96 1ni7 h PRO 26 Cb 0.60 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.72 1ni7 h PRO 26 CO -0.95 0.88 0.97 -0.51 -0.23 0.00 0.00 178.00 178.16 1ni7 s LEU 27 N -7.51 3.24 0.29 1.56 1.43 0.36 -4.69 118.68 113.36 1ni7 s LEU 27 Ca -0.03 -1.00 0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1ni7 s LEU 27 Cb 0.11 -2.57 0.13 0.00 0.03 0.00 0.00 46.19 43.89 1ni7 s LEU 27 CO 0.81 -2.49 1.31 0.74 0.23 0.00 0.00 176.35 176.95 1ni7 h THR 28 N 6.99 0.22 -3.15 5.49 2.02 -1.78 -3.45 112.91 119.25 1ni7 h THR 28 Ca 0.14 -1.34 -0.58 0.00 0.77 0.00 0.00 66.41 65.40 1ni7 h THR 28 Cb 0.99 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 1ni7 h THR 28 CO 1.26 0.12 0.76 -1.10 0.37 0.00 0.00 175.52 176.93 1ni7 s GLN 29 N -3.18 4.21 0.54 6.66 -0.21 -1.26 -4.89 119.66 121.53 1ni7 s GLN 29 Ca 0.03 1.25 0.26 0.00 0.02 0.00 0.00 55.36 56.91 1ni7 s GLN 29 Cb 0.07 -3.66 1.41 0.00 1.00 0.00 0.00 33.01 31.84 1ni7 s GLN 29 CO 0.74 -0.66 1.99 2.35 -2.12 0.00 0.00 175.29 177.59 1ni7 h TRP 30 N 7.59 0.00 -0.25 0.91 2.91 -1.97 0.61 115.95 125.75 1ni7 h TRP 30 Ca -0.20 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.81 1ni7 h TRP 30 Cb 1.06 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 1ni7 h TRP 30 CO 0.76 0.00 0.09 0.93 -1.03 0.00 0.00 178.44 179.19 1ni7 h GLU 31 N 0.00 0.35 0.44 2.65 5.08 -1.97 -1.89 114.58 119.23 1ni7 h GLU 31 Ca 0.25 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1ni7 h GLU 31 Cb 1.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ni7 h GLU 31 CO -0.00 0.30 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.66 1ni7 h ASP 32 N 0.35 -0.50 -0.23 1.42 3.32 -0.15 0.04 116.42 120.68 1ni7 h ASP 32 Ca 0.09 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1ni7 h ASP 32 Cb 0.09 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1ni7 h ASP 32 CO -0.01 -0.12 -0.39 0.11 -1.72 0.00 0.00 179.24 177.11 1ni7 h LYS 33 N -0.94 -0.32 -0.69 3.56 1.57 -1.34 1.57 116.57 119.99 1ni7 h LYS 33 Ca -0.06 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 1ni7 h LYS 33 Cb 0.57 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1ni7 h LYS 33 CO 0.10 -0.21 0.48 -0.92 -0.57 0.00 0.00 179.45 178.33 1ni7 h TYR 34 N -0.33 0.19 0.23 -1.35 3.20 -1.42 0.59 116.97 118.09 1ni7 h TYR 34 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1ni7 h TYR 34 Cb 0.44 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1ni7 h TYR 34 CO -0.64 0.07 -0.11 0.00 -1.64 0.00 0.00 178.16 175.83 1ni7 h ARG 35 N 0.16 -0.30 -0.11 1.82 2.47 0.18 -3.22 114.38 115.37 1ni7 h ARG 35 Ca 0.33 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.11 1ni7 h ARG 35 Cb 1.09 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1ni7 h ARG 35 CO -0.05 -0.20 0.20 0.37 0.56 0.00 0.00 179.97 180.84 1ni7 h GLN 36 N -0.72 0.00 -0.62 0.04 -0.00 0.24 -0.01 115.11 114.03 1ni7 h GLN 36 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1ni7 h GLN 36 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.68 1ni7 h GLN 36 CO 0.05 0.00 0.38 -0.07 0.00 0.00 0.00 178.83 179.19 1ni7 h LEU 37 N 0.00 0.60 -1.70 -2.39 3.38 0.18 0.11 115.31 115.48 1ni7 h LEU 37 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ni7 h LEU 37 Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ni7 h LEU 37 CO -0.00 0.41 0.19 0.40 0.09 0.00 0.00 178.44 179.53 1ni7 h ILE 38 N 0.73 1.08 0.00 1.22 2.04 -1.01 -0.29 117.51 121.28 1ni7 h ILE 38 Ca 0.26 -0.15 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 1ni7 h ILE 38 Cb 0.05 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1ni7 h ILE 38 CO -0.12 0.08 -0.64 0.24 0.00 0.00 0.00 178.15 177.71 1ni7 h MET 39 N 0.40 0.00 -0.96 2.37 2.86 -1.00 -3.14 114.93 115.46 1ni7 h MET 39 Ca 0.11 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.88 1ni7 h MET 39 Cb -0.04 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.53 1ni7 h MET 39 CO -0.02 0.64 0.58 -0.07 1.06 0.00 0.00 176.91 179.10 1ni7 h LEU 40 N 0.00 0.82 -0.31 1.22 3.38 0.96 -0.68 115.31 120.69 1ni7 h LEU 40 Ca -0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1ni7 h LEU 40 Cb 1.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1ni7 h LEU 40 CO 0.08 0.41 -0.04 1.23 0.09 0.00 0.00 178.44 180.21 1ni7 h GLY 41 N 0.88 0.62 0.02 0.83 0.00 -1.51 -2.96 103.07 100.95 1ni7 h GLY 41 Ca 0.49 -0.49 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1ni7 h GLY 41 CO -0.30 0.45 0.19 0.50 0.00 0.00 0.00 176.54 177.38 1ni7 h LYS 42 N 0.36 0.29 -0.83 4.80 1.57 -1.19 0.26 116.57 121.83 1ni7 h LYS 42 Ca 0.08 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1ni7 h LYS 42 Cb 0.50 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 1ni7 h LYS 42 CO 0.02 0.19 0.47 1.96 -0.57 0.00 0.00 179.45 181.53 1ni7 h GLN 43 N 0.30 0.76 -6.77 3.15 4.20 -1.18 -3.41 115.11 112.15 1ni7 h GLN 43 Ca 0.39 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.53 1ni7 h GLN 43 Cb 0.64 -0.17 0.08 0.00 0.30 0.00 0.00 27.48 28.33 1ni7 h GLN 43 CO -0.47 0.50 0.93 -1.17 -0.67 0.00 0.00 178.83 177.95 1ni7 s LEU 44 N -10.28 4.35 0.45 1.46 2.96 0.91 -4.90 118.68 113.64 1ni7 s LEU 44 Ca -0.12 2.94 -0.22 0.00 -0.22 0.00 0.00 54.13 56.51 1ni7 s LEU 44 Cb 0.20 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 43.17 1ni7 s LEU 44 CO 0.78 -0.94 1.04 -2.16 -1.32 0.00 0.00 176.35 173.75 1ni7 s PRO 45 N -0.07 3.94 -0.32 0.98 0.04 -1.26 -4.93 135.00 133.37 1ni7 s PRO 45 Ca 0.66 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 1ni7 s PRO 45 Cb -0.49 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1ni7 s PRO 45 CO 0.44 -0.32 2.12 0.00 0.04 0.00 0.00 177.00 179.28 1ni7 s ALA 46 N -1.86 2.52 0.24 8.56 0.00 -1.26 -4.91 121.76 125.06 1ni7 s ALA 46 Ca 0.64 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1ni7 s ALA 46 Cb -0.19 -4.12 -0.10 0.00 0.00 0.00 0.00 23.12 18.71 1ni7 s ALA 46 CO 0.23 -3.13 1.51 -1.17 0.00 0.00 0.00 175.76 173.20 1ni7 s LEU 47 N 8.71 4.37 0.54 0.00 2.96 -1.26 -4.97 118.68 129.03 1ni7 s LEU 47 Ca 0.92 2.73 -0.18 0.00 -0.22 0.00 0.00 54.13 57.39 1ni7 s LEU 47 Cb -0.26 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 42.75 1ni7 s LEU 47 CO 0.32 -0.79 1.04 -2.16 -1.32 0.00 0.00 176.35 173.45 1ni7 s PRO 48 N -0.04 3.58 0.41 0.98 0.04 -1.26 -4.93 135.00 133.79 1ni7 s PRO 48 Ca 0.63 1.26 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1ni7 s PRO 48 Cb -0.44 -2.07 0.86 0.00 0.04 0.00 0.00 34.50 32.90 1ni7 s PRO 48 CO 0.41 -0.60 1.92 -0.44 0.04 0.00 0.00 177.00 178.34 1ni7 h ASP 49 N 0.99 0.04 -0.57 6.66 5.19 -1.98 -1.00 116.42 125.75 1ni7 h ASP 49 Ca -0.48 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1ni7 h ASP 49 Cb 1.22 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 1ni7 h ASP 49 CO 0.58 0.28 0.36 -0.08 -3.12 0.00 0.00 179.24 177.27 1ni7 h GLU 50 N 0.04 0.77 0.00 3.56 4.57 -2.00 -1.77 114.58 119.75 1ni7 h GLU 50 Ca 0.01 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 1ni7 h GLU 50 Cb 0.45 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1ni7 h GLU 50 CO 0.03 0.54 -0.70 -0.07 -1.18 0.00 0.00 179.01 177.64 1ni7 h LEU 51 N 0.78 0.00 -1.55 1.64 3.38 -1.83 -2.94 115.31 114.79 1ni7 h LEU 51 Ca 0.21 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1ni7 h LEU 51 Cb -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ni7 h LEU 51 CO -0.04 0.70 0.35 0.11 0.09 0.00 0.00 178.44 179.65 1ni7 h LYS 52 N 0.00 0.56 0.00 1.13 1.57 -0.37 0.51 116.57 119.96 1ni7 h LYS 52 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ni7 h LYS 52 Cb 1.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1ni7 h LYS 52 CO 0.09 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 1ni7 h ALA 53 N 1.70 1.00 0.00 3.86 0.00 -1.19 -2.58 119.26 122.05 1ni7 h ALA 53 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ni7 h ALA 53 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ni7 h ALA 53 CO -0.06 0.00 -0.69 1.96 0.00 0.00 0.00 179.25 180.46 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 -0.04 -3.46 115.11 119.11 1ni7 h GLN 54 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ni7 h GLN 54 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1ni7 h GLN 54 CO 0.00 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.33 1ni7 n ALA 55 N -1.99 0.00 -2.55 3.87 0.00 -0.49 -4.76 120.51 114.59 1ni7 n ALA 55 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 1ni7 n ALA 55 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.06 2.01 0.01 0.00 1.02 0.63 -4.88 119.74 116.48 1ni7 s LYS 56 Ca 0.00 -1.08 -0.25 0.00 0.02 0.00 0.00 55.97 54.66 1ni7 s LYS 56 Cb 0.00 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1ni7 s LYS 56 CO 0.00 0.50 0.75 -1.21 -0.92 0.00 0.00 175.35 174.47 1ni7 s GLU 57 N -2.20 4.47 -0.04 1.68 2.02 -1.26 -1.31 118.70 122.06 1ni7 s GLU 57 Ca 0.20 1.02 0.02 0.00 0.02 0.00 0.00 54.97 56.24 1ni7 s GLU 57 Cb -0.11 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.74 1ni7 s GLU 57 CO 0.13 0.21 -0.10 0.42 0.02 0.00 0.00 175.26 175.94 1ni7 s ILE 58 N 0.21 0.86 0.03 -1.63 1.01 0.23 -4.96 121.20 116.95 1ni7 s ILE 58 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1ni7 s ILE 58 Cb -0.20 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 1ni7 s ILE 58 CO 0.22 0.27 0.01 0.00 0.00 0.00 0.00 174.94 175.44 1ni7 n ALA 59 N 3.48 0.04 0.00 9.38 0.00 -1.26 0.16 120.51 132.31 1ni7 n ALA 59 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ni7 n ALA 59 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1ni7 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 60 N 1.29 2.80 1.13 0.00 0.00 -1.26 -4.98 105.19 104.17 1ni7 n GLY 60 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.70 -3.27 0.00 4.39 -2.00 -3.45 114.58 110.96 1ni7 h GLU 62 Ca -0.12 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 1ni7 h GLU 62 Cb 0.35 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1ni7 h GLU 62 CO 0.09 0.46 0.16 -0.80 -1.16 0.00 0.00 179.01 177.77 1ni7 s ASN 63 N -5.63 0.19 0.50 1.42 -0.87 -1.26 -5.03 114.94 104.27 1ni7 s ASN 63 Ca -0.10 -1.19 -0.17 0.00 -1.57 0.00 0.00 52.86 49.83 1ni7 s ASN 63 Cb 0.23 0.80 -0.14 0.00 -0.02 0.00 0.00 41.25 42.12 1ni7 s ASN 63 CO 0.80 -1.57 -0.16 0.54 -2.57 0.00 0.00 177.10 174.13 1ni7 n ARG 64 N -0.53 0.00 -3.84 -0.60 1.74 -1.26 -4.80 116.66 107.37 1ni7 n ARG 64 Ca -0.06 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 1ni7 n ARG 64 Cb 0.60 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 31.00 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ni7 s VAL 65 N -1.86 0.04 0.02 1.55 1.01 0.12 -3.84 120.40 117.45 1ni7 s VAL 65 Ca 0.52 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1ni7 s VAL 65 Cb -0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1ni7 s VAL 65 CO 0.63 -0.20 -0.04 0.26 0.00 0.00 0.00 175.10 175.74 1ni7 s TRP 66 N -0.72 0.35 -0.26 5.22 0.51 -0.57 0.77 118.94 124.24 1ni7 s TRP 66 Ca -0.08 -0.35 -0.18 0.00 -2.12 0.00 0.00 56.10 53.37 1ni7 s TRP 66 Cb -0.05 -0.23 0.07 0.00 -0.81 0.00 0.00 33.47 32.46 1ni7 s TRP 66 CO 0.01 -0.09 0.66 -1.17 -0.51 0.00 0.00 176.95 175.85 1ni7 s LEU 67 N -0.99 -0.78 0.04 2.99 2.96 -0.43 -1.71 118.68 120.77 1ni7 s LEU 67 Ca -0.08 1.42 0.02 0.00 -0.22 0.00 0.00 54.13 55.27 1ni7 s LEU 67 Cb -0.07 2.29 -0.02 0.00 0.50 0.00 0.00 46.19 48.89 1ni7 s LEU 67 CO -0.00 -0.24 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.89 1ni7 s GLY 68 N 1.24 0.47 0.32 7.98 0.00 0.34 0.23 107.32 117.89 1ni7 s GLY 68 Ca -0.07 -0.77 -0.15 0.00 0.00 0.00 0.00 44.72 43.74 1ni7 s GLY 68 CO -0.13 -0.83 0.65 -2.52 0.00 0.00 0.00 173.10 170.27 1ni7 s TYR 69 N -1.55 0.23 -0.12 1.90 -0.85 -1.26 0.21 117.35 115.91 1ni7 s TYR 69 Ca -0.10 -0.70 -0.27 0.00 -0.52 0.00 0.00 57.07 55.48 1ni7 s TYR 69 Cb -0.09 0.51 0.06 0.00 0.38 0.00 0.00 41.96 42.83 1ni7 s TYR 69 CO -0.00 -1.27 0.64 0.95 -1.52 0.00 0.00 175.55 174.35 1ni7 s THR 70 N -3.29 0.01 0.32 -3.49 -4.23 -1.26 -4.99 115.64 98.70 1ni7 s THR 70 Ca 0.18 -0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1ni7 s THR 70 Cb -0.04 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 1ni7 s THR 70 CO 0.11 -0.02 0.18 -0.69 -0.54 0.00 0.00 174.62 173.66 1ni7 s VAL 71 N -0.64 3.39 0.07 2.29 1.01 -1.26 -3.63 120.40 121.62 1ni7 s VAL 71 Ca -0.07 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.34 1ni7 s VAL 71 Cb -0.02 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1ni7 s VAL 71 CO 0.06 -0.22 0.07 0.00 0.00 0.00 0.00 175.10 175.01 1ni7 n ALA 72 N -1.20 0.08 -0.04 5.51 0.00 -1.15 -4.96 120.51 118.75 1ni7 n ALA 72 Ca -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 52.96 1ni7 n ALA 72 Cb 0.60 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 20.33 1ni7 n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni7 h GLU 73 N 0.00 -0.16 0.00 0.00 4.81 -2.01 0.59 114.58 117.82 1ni7 h GLU 73 Ca -0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ni7 h GLU 73 Cb 0.23 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ni7 h GLU 73 CO 0.07 -0.11 0.00 0.27 -0.73 0.00 0.00 179.01 178.51 1ni7 n ASN 74 N -5.32 0.35 0.00 1.04 0.23 -1.26 -4.80 115.26 105.50 1ni7 n ASN 74 Ca -0.01 0.63 0.00 0.00 -0.53 0.00 0.00 54.58 54.67 1ni7 n ASN 74 Cb 0.23 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.25 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 -0.83 2.58 3.33 4.83 0.00 0.21 -5.00 105.19 110.32 1ni7 n GLY 75 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 0.05 -3.74 1.61 5.02 -1.26 -4.33 118.16 113.50 1ni7 n LYS 76 Ca 0.00 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1ni7 n LYS 76 Cb 0.00 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.33 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 -2.66 0.45 -0.29 1.97 -1.94 -0.87 -2.93 119.30 113.02 1ni7 s MET 77 Ca 0.57 0.50 0.02 0.00 -1.71 0.00 0.00 55.69 55.07 1ni7 s MET 77 Cb -0.29 0.22 0.08 0.00 2.01 0.00 0.00 34.83 36.85 1ni7 s MET 77 CO 0.67 -0.06 0.01 -1.01 -0.01 0.00 0.00 175.02 174.62 1ni7 s HIS 78 N 0.15 2.83 0.43 -0.03 3.76 -1.24 -3.61 115.29 117.59 1ni7 s HIS 78 Ca -0.00 -2.26 -0.23 0.00 -0.15 0.00 0.00 55.06 52.42 1ni7 s HIS 78 Cb -0.03 -2.14 -0.09 0.00 1.11 0.00 0.00 32.58 31.44 1ni7 s HIS 78 CO 0.01 -0.87 1.05 -0.06 -0.85 0.00 0.00 174.74 174.02 1ni7 s PHE 79 N 1.23 3.15 -0.26 1.40 0.40 -1.26 -4.20 117.98 118.45 1ni7 s PHE 79 Ca 0.03 1.61 -0.10 0.00 -0.60 0.00 0.00 56.93 57.87 1ni7 s PHE 79 Cb -0.19 -3.12 0.10 0.00 0.51 0.00 0.00 43.02 40.33 1ni7 s PHE 79 CO -0.11 -0.74 0.58 -0.59 0.70 0.00 0.00 175.22 175.06 1ni7 s PHE 80 N -1.77 -1.09 0.00 0.36 -0.12 0.57 -4.94 117.98 110.99 1ni7 s PHE 80 Ca 0.61 2.01 0.00 0.00 -0.05 0.00 0.00 56.93 59.50 1ni7 s PHE 80 Cb -0.20 0.61 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1ni7 s PHE 80 CO 0.25 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.26 1ni7 n GLY 81 N 5.09 3.83 3.81 1.99 0.00 -1.26 0.13 105.19 118.77 1ni7 n GLY 81 Ca -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1ni7 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ni7 s ASP 82 N 1.63 -0.10 0.26 1.61 -4.77 -0.69 -4.93 116.67 109.67 1ni7 s ASP 82 Ca 0.00 -0.58 -0.18 0.00 -3.30 0.00 0.00 52.55 48.49 1ni7 s ASP 82 Cb 0.00 0.54 0.02 0.00 -1.09 0.00 0.00 42.92 42.39 1ni7 s ASP 82 CO 0.00 -1.03 0.63 -0.55 0.70 0.00 0.00 175.17 174.92 1ni7 s SER 83 N -3.11 -0.23 -0.10 2.11 0.15 -1.26 -1.51 113.70 109.76 1ni7 s SER 83 Ca 0.16 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 56.07 1ni7 s SER 83 Cb -0.02 0.67 -0.28 0.00 -1.71 0.00 0.00 66.02 64.68 1ni7 s SER 83 CO 0.04 -1.24 0.46 -0.08 1.20 0.00 0.00 173.24 173.62 1ni7 h GLU 84 N 2.09 0.30 -6.57 5.44 4.22 -1.89 -3.45 114.58 114.74 1ni7 h GLU 84 Ca -0.23 -0.52 -0.57 0.00 0.08 0.00 0.00 59.36 58.12 1ni7 h GLU 84 Cb 1.25 0.19 0.07 0.00 0.50 0.00 0.00 28.75 30.76 1ni7 h GLU 84 CO 0.29 1.25 0.78 0.41 -2.18 0.00 0.00 179.01 179.55 1ni7 n GLY 85 N 1.94 1.10 0.24 1.92 0.00 -1.26 -4.87 105.19 104.25 1ni7 n GLY 85 Ca -0.30 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 1ni7 n GLY 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ni7 h ARG 86 N 5.47 0.47 0.04 1.61 0.11 -1.95 0.29 114.38 120.42 1ni7 h ARG 86 Ca -0.45 -0.16 -0.09 0.00 0.10 0.00 0.00 59.98 59.38 1ni7 h ARG 86 Cb 1.25 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ni7 h ARG 86 CO 0.85 0.66 -0.44 0.97 0.10 0.00 0.00 179.97 182.11 1ni7 h ILE 87 N 0.42 1.57 -0.60 0.08 6.09 -1.89 -3.30 117.51 119.87 1ni7 h ILE 87 Ca 0.07 -2.37 0.10 0.00 -1.37 0.00 0.00 64.86 61.29 1ni7 h ILE 87 Cb 0.62 3.16 -0.08 0.00 0.47 0.00 0.00 36.82 40.98 1ni7 h ILE 87 CO 0.04 0.60 0.17 0.58 -3.07 0.00 0.00 178.15 176.48 1ni7 h VAL 88 N -0.81 0.70 -0.62 2.19 2.07 -1.93 -0.66 116.25 117.19 1ni7 h VAL 88 Ca -0.10 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.41 1ni7 h VAL 88 Cb 1.24 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 31.24 1ni7 h VAL 88 CO 0.01 0.06 -0.38 -0.09 0.02 0.00 0.00 177.57 177.19 1ni7 h ARG 89 N 0.32 -0.17 -0.22 1.57 2.43 -1.05 0.47 114.38 117.74 1ni7 h ARG 89 Ca 0.31 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1ni7 h ARG 89 Cb 0.43 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ni7 h ARG 89 CO -0.36 -0.11 0.13 0.78 -1.51 0.00 0.00 179.97 178.90 1ni7 h GLY 90 N -0.17 0.32 -0.36 2.80 0.00 -1.36 -2.24 103.07 102.06 1ni7 h GLY 90 Ca 0.22 -0.13 0.26 0.00 0.00 0.00 0.00 47.33 47.68 1ni7 h GLY 90 CO -0.71 0.13 0.44 1.41 0.00 0.00 0.00 176.54 177.81 1ni7 h LEU 91 N 0.27 0.36 0.27 3.11 3.38 0.44 0.32 115.31 123.45 1ni7 h LEU 91 Ca 0.08 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ni7 h LEU 91 Cb 0.02 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ni7 h LEU 91 CO -0.01 -0.07 -0.13 -0.07 0.09 0.00 0.00 178.44 178.25 1ni7 h LEU 92 N 0.36 -0.31 -0.73 1.67 3.38 -0.40 -2.10 115.31 117.18 1ni7 h LEU 92 Ca 0.63 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.67 1ni7 h LEU 92 Cb 1.29 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 1ni7 h LEU 92 CO -0.58 -0.22 -0.43 0.00 0.09 0.00 0.00 178.44 177.30 1ni7 h ALA 93 N 0.37 -0.40 -0.75 1.53 0.00 -0.09 1.42 119.26 121.34 1ni7 h ALA 93 Ca -0.04 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1ni7 h ALA 93 Cb 0.28 1.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.23 1ni7 h ALA 93 CO 0.06 -0.71 0.12 0.28 0.00 0.00 0.00 179.25 179.00 1ni7 h VAL 94 N -0.00 0.44 0.83 0.00 2.07 -1.31 0.84 116.25 119.11 1ni7 h VAL 94 Ca 0.12 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ni7 h VAL 94 Cb 0.30 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ni7 h VAL 94 CO -0.68 0.04 -0.44 0.25 0.02 0.00 0.00 177.57 176.75 1ni7 h LEU 95 N 0.20 -1.08 -2.00 2.57 6.46 0.14 0.24 115.31 121.84 1ni7 h LEU 95 Ca 0.42 0.05 0.21 0.00 -0.12 0.00 0.00 57.88 58.44 1ni7 h LEU 95 Cb 0.75 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 1ni7 h LEU 95 CO -0.57 -0.72 0.52 -0.07 -0.62 0.00 0.00 178.44 176.97 1ni7 h LEU 96 N -1.17 0.00 -0.48 2.25 3.38 0.29 0.97 115.31 120.55 1ni7 h LEU 96 Ca -0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1ni7 h LEU 96 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1ni7 h LEU 96 CO 0.16 0.00 -0.64 0.74 0.09 0.00 0.00 178.44 178.79 1ni7 h THR 97 N 0.00 1.27 -0.02 0.22 2.02 0.17 -3.03 112.91 113.55 1ni7 h THR 97 Ca 0.34 -2.33 -0.15 0.00 0.77 0.00 0.00 66.41 65.04 1ni7 h THR 97 Cb 1.37 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1ni7 h THR 97 CO -0.00 0.62 -0.70 0.00 0.37 0.00 0.00 175.52 175.81 1ni7 h ALA 98 N 1.36 0.80 -0.65 6.16 0.00 0.43 -2.87 119.26 124.49 1ni7 h ALA 98 Ca -0.01 -0.62 -0.36 0.00 0.00 0.00 0.00 54.91 53.92 1ni7 h ALA 98 Cb 1.27 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 1ni7 h ALA 98 CO 0.08 0.83 0.46 1.33 0.00 0.00 0.00 179.25 181.95 1ni7 n VAL 99 N -3.75 2.58 -1.54 0.00 0.24 -0.47 -4.86 118.33 110.53 1ni7 n VAL 99 Ca -0.02 -1.44 -0.37 0.00 -2.04 0.00 0.00 64.34 60.47 1ni7 n VAL 99 Cb 0.68 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 32.19 1ni7 n VAL 99 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1ni7 n GLU 100 N -0.44 0.83 -4.41 7.34 0.28 -1.08 -2.47 120.64 120.68 1ni7 n GLU 100 Ca 0.39 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 57.02 1ni7 n GLU 100 Cb 1.10 -3.02 -0.09 0.00 1.43 0.00 0.00 31.44 30.87 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ni7 n GLY 101 N 6.12 -0.29 3.93 -1.84 0.00 -1.25 -4.89 105.19 106.96 1ni7 n GLY 101 Ca 0.43 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 -7.18 2.92 0.18 1.61 1.02 -1.03 -4.63 119.74 112.63 1ni7 s LYS 102 Ca 0.53 -0.20 0.06 0.00 0.02 0.00 0.00 55.97 56.38 1ni7 s LYS 102 Cb -0.31 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1ni7 s LYS 102 CO 1.00 -0.58 0.14 0.95 -0.92 0.00 0.00 175.35 175.93 1ni7 s THR 103 N -2.85 4.42 0.19 2.17 -4.23 -1.26 -2.04 115.64 112.04 1ni7 s THR 103 Ca 0.53 -1.17 -0.21 0.00 -1.18 0.00 0.00 61.69 59.65 1ni7 s THR 103 Cb -0.10 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.58 1ni7 s THR 103 CO 0.43 -0.16 1.58 0.00 -0.54 0.00 0.00 174.62 175.93 1ni7 h ALA 104 N 2.24 -0.05 0.27 3.99 0.00 -1.91 0.69 119.26 124.50 1ni7 h ALA 104 Ca -0.48 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ni7 h ALA 104 Cb 1.21 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1ni7 h ALA 104 CO 0.62 -0.68 -0.50 0.00 0.00 0.00 0.00 179.25 178.69 1ni7 h ALA 105 N 1.00 -1.00 -0.53 0.00 0.00 -1.95 -0.06 119.26 116.72 1ni7 h ALA 105 Ca 0.24 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1ni7 h ALA 105 Cb 0.56 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 1ni7 h ALA 105 CO -0.71 -1.12 -0.26 0.93 0.00 0.00 0.00 179.25 178.09 1ni7 h GLU 106 N -0.83 -0.12 -0.71 0.00 5.08 -1.49 0.41 114.58 116.91 1ni7 h GLU 106 Ca -0.02 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1ni7 h GLU 106 Cb 0.79 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.96 1ni7 h GLU 106 CO -0.19 -0.08 0.14 -0.07 -1.00 0.00 0.00 179.01 177.81 1ni7 h LEU 107 N -0.13 -0.04 -1.16 1.33 3.38 0.92 1.31 115.31 120.92 1ni7 h LEU 107 Ca 0.24 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 1ni7 h LEU 107 Cb 0.51 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1ni7 h LEU 107 CO -0.61 -0.05 -0.13 1.56 0.09 0.00 0.00 178.44 179.30 1ni7 h GLN 108 N 0.24 0.43 -0.01 1.13 4.20 0.14 -0.64 115.11 120.59 1ni7 h GLN 108 Ca 0.39 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ni7 h GLN 108 Cb 0.66 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1ni7 h GLN 108 CO -0.51 0.56 -0.02 0.00 -0.67 0.00 0.00 178.83 178.20 1ni7 n ALA 109 N -2.48 2.65 -3.66 3.87 0.00 0.18 -4.87 120.51 116.19 1ni7 n ALA 109 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1ni7 n ALA 109 Cb 0.32 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1ni7 n ALA 109 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ni7 n GLN 110 N -0.37 0.56 -3.63 0.00 7.27 0.39 -5.02 117.38 116.59 1ni7 n GLN 110 Ca 0.20 -1.13 -0.04 0.00 0.07 0.00 0.00 57.00 56.10 1ni7 n GLN 110 Cb 0.26 0.73 -0.06 0.00 2.41 0.00 0.00 30.24 33.58 1ni7 n GLN 110 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1ni7 s SER 111 N -1.81 -0.78 0.00 1.69 0.01 -1.25 -4.79 113.70 106.76 1ni7 s SER 111 Ca 0.09 1.22 0.22 0.00 1.31 0.00 0.00 55.95 58.80 1ni7 s SER 111 Cb 0.00 1.42 1.01 0.00 0.21 0.00 0.00 66.02 68.67 1ni7 s SER 111 CO 0.07 -0.19 1.71 -0.81 0.41 0.00 0.00 173.24 174.43 1ni7 n PRO 112 N 4.23 0.13 0.12 12.44 -0.04 -1.26 -2.49 135.00 148.13 1ni7 n PRO 112 Ca -0.18 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1ni7 n PRO 112 Cb 0.57 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 1ni7 n PRO 112 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ni7 h LEU 113 N 0.00 0.00 -0.82 1.53 3.38 -1.97 -3.13 115.31 114.31 1ni7 h LEU 113 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ni7 h LEU 113 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1ni7 h LEU 113 CO 0.00 0.67 0.46 0.00 0.09 0.00 0.00 178.44 179.66 1ni7 h ALA 114 N 1.33 1.05 -0.27 1.53 0.00 -1.91 -2.56 119.26 118.42 1ni7 h ALA 114 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ni7 h ALA 114 Cb 1.33 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1ni7 h ALA 114 CO 0.09 0.55 -0.28 1.25 0.00 0.00 0.00 179.25 180.86 1ni7 h LEU 115 N 1.14 -0.90 -0.31 0.00 5.85 -1.70 1.22 115.31 120.61 1ni7 h LEU 115 Ca 0.29 0.16 0.07 0.00 0.84 0.00 0.00 57.88 59.24 1ni7 h LEU 115 Cb 0.02 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1ni7 h LEU 115 CO -0.05 -0.30 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.21 1ni7 h PHE 116 N -0.27 -0.76 -0.76 1.25 0.04 -1.56 0.60 116.94 115.48 1ni7 h PHE 116 Ca 0.14 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1ni7 h PHE 116 Cb 0.50 0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1ni7 h PHE 116 CO -0.44 -0.35 0.34 0.22 -0.60 0.00 0.00 178.31 177.48 1ni7 h ASP 117 N -0.26 1.00 0.55 2.17 1.82 -1.03 0.59 116.42 121.26 1ni7 h ASP 117 Ca 0.15 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1ni7 h ASP 117 Cb 0.50 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.25 1ni7 h ASP 117 CO -0.45 0.86 -0.33 -0.33 -1.61 0.00 0.00 179.24 177.38 1ni7 h GLU 118 N 1.08 -0.80 -0.06 0.28 4.39 0.35 -2.24 114.58 117.58 1ni7 h GLU 118 Ca 0.26 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.96 1ni7 h GLU 118 Cb 0.15 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1ni7 h GLU 118 CO -0.03 -0.53 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.03 1ni7 h LEU 119 N -0.83 0.10 -0.02 1.33 3.38 0.28 -3.46 115.31 116.09 1ni7 h LEU 119 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ni7 h LEU 119 Cb 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ni7 h LEU 119 CO 0.07 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1ni7 n GLY 120 N -0.88 1.63 0.00 0.83 0.00 0.15 -5.08 105.19 101.84 1ni7 n GLY 120 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni7 n LEU 121 N -0.01 0.00 -2.23 0.99 4.77 0.16 -4.77 117.00 115.92 1ni7 n LEU 121 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ni7 n LEU 121 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ni7 n LEU 121 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 174.92 1ni7 n ARG 122 N 0.00 -2.66 -0.11 3.23 0.63 -1.26 -4.71 116.66 111.78 1ni7 n ARG 122 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1ni7 n ARG 122 Cb 0.00 -4.25 -0.03 0.00 0.45 0.00 0.00 32.46 28.63 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ni7 h ALA 123 N 1.16 0.43 0.30 5.13 0.00 -1.95 -3.33 119.26 121.01 1ni7 h ALA 123 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ni7 h ALA 123 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ni7 h ALA 123 CO 0.00 0.30 -0.15 0.37 0.00 0.00 0.00 179.25 179.78 1ni7 h GLN 124 N 0.39 -0.39 -5.32 0.00 -0.00 -2.01 -3.39 115.11 104.39 1ni7 h GLN 124 Ca 0.07 0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.68 1ni7 h GLN 124 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.19 1ni7 h GLN 124 CO 0.04 -0.26 0.20 -0.48 0.00 0.00 0.00 178.83 178.33 1ni7 s LEU 125 N -8.85 2.74 0.00 -2.39 2.34 -1.25 -4.89 118.68 106.38 1ni7 s LEU 125 Ca -0.06 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 53.61 1ni7 s LEU 125 Cb 0.01 -2.57 0.00 0.00 -0.56 0.00 0.00 46.19 43.07 1ni7 s LEU 125 CO 0.18 -4.00 0.00 -0.24 -1.06 0.00 0.00 176.35 171.23 1ni7 n SER 126 N 18.17 0.00 0.02 1.48 2.88 -1.26 -4.53 113.62 130.38 1ni7 n SER 126 Ca 0.44 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.89 1ni7 n SER 126 Cb 0.45 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 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 -2.00 -0.15 0.19 -1.46 0.00 -1.93 -3.02 119.26 110.89 1ni7 h ALA 127 Ca 0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 1ni7 h ALA 127 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ni7 h ALA 127 CO 0.00 -0.20 -1.46 1.03 0.00 0.00 0.00 179.25 178.62 1ni7 h SER 128 N -0.93 0.64 -0.12 0.00 0.87 -1.98 -3.22 113.55 108.80 1ni7 h SER 128 Ca -0.02 -0.74 0.03 0.00 -1.23 0.00 0.00 61.79 59.84 1ni7 h SER 128 Cb 0.50 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1ni7 h SER 128 CO 0.03 1.59 0.23 0.03 -0.53 0.00 0.00 176.83 178.17 1ni7 h ARG 129 N 0.11 0.00 -0.35 2.24 3.08 -1.90 0.12 114.38 117.68 1ni7 h ARG 129 Ca -0.23 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.92 1ni7 h ARG 129 Cb 2.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.13 1ni7 h ARG 129 CO 0.23 0.00 0.29 1.03 -1.07 0.00 0.00 179.97 180.45 1ni7 h SER 130 N 0.00 0.00 -0.52 7.04 0.87 -1.54 0.16 113.55 119.57 1ni7 h SER 130 Ca 0.06 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.77 1ni7 h SER 130 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1ni7 h SER 130 CO -0.00 0.00 0.39 -0.61 -0.53 0.00 0.00 176.83 176.08 1ni7 h GLN 131 N 0.00 0.00 0.37 2.24 4.15 -0.97 -1.67 115.11 119.24 1ni7 h GLN 131 Ca 0.17 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1ni7 h GLN 131 Cb 0.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1ni7 h GLN 131 CO -0.00 0.00 -0.18 0.78 -1.93 0.00 0.00 178.83 177.50 1ni7 h GLY 132 N 0.00 -0.52 -0.01 2.39 0.00 -0.86 -3.20 103.07 100.86 1ni7 h GLY 132 Ca 0.25 0.19 0.14 0.00 0.00 0.00 0.00 47.33 47.91 1ni7 h GLY 132 CO -0.00 -0.19 0.10 -2.00 0.00 0.00 0.00 176.54 174.44 1ni7 h LEU 133 N -0.91 -0.10 -1.82 3.11 6.46 -1.43 0.65 115.31 121.26 1ni7 h LEU 133 Ca -0.05 0.14 0.45 0.00 -0.12 0.00 0.00 57.88 58.30 1ni7 h LEU 133 Cb 0.54 0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 40.60 1ni7 h LEU 133 CO 0.08 -0.06 1.07 0.78 -0.62 0.00 0.00 178.44 179.70 1ni7 h ASN 134 N 0.21 0.08 -0.09 1.25 4.21 -1.35 1.52 115.58 121.41 1ni7 h ASN 134 Ca 0.36 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.89 1ni7 h ASN 134 Cb 0.58 0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1ni7 h ASN 134 CO -0.49 -0.04 0.02 0.00 -1.29 0.00 0.00 177.43 175.63 1ni7 h ALA 135 N 1.30 0.13 -0.62 -0.83 0.00 0.29 0.27 119.26 119.81 1ni7 h ALA 135 Ca 0.78 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.48 1ni7 h ALA 135 Cb 2.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 20.63 1ni7 h ALA 135 CO -0.12 -0.24 0.11 -0.07 0.00 0.00 0.00 179.25 178.93 1ni7 h LEU 136 N -0.06 0.95 0.88 0.00 3.38 0.20 -1.01 115.31 119.64 1ni7 h LEU 136 Ca 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1ni7 h LEU 136 Cb 0.26 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ni7 h LEU 136 CO 0.00 0.94 -0.42 -1.28 0.09 0.00 0.00 178.44 177.77 1ni7 h SER 137 N 0.94 -1.00 -0.45 -0.43 0.87 -0.42 -2.45 113.55 110.62 1ni7 h SER 137 Ca 0.19 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.91 1ni7 h SER 137 Cb 0.40 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1ni7 h SER 137 CO 0.01 -0.66 0.40 1.05 -0.53 0.00 0.00 176.83 177.10 1ni7 h GLU 138 N -1.28 0.00 -0.78 2.24 4.11 -0.40 0.23 114.58 118.69 1ni7 h GLU 138 Ca -0.12 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.33 1ni7 h GLU 138 Cb 0.90 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1ni7 h GLU 138 CO 0.20 0.00 0.50 0.00 0.07 0.00 0.00 179.01 179.78 1ni7 h ALA 139 N 1.62 1.01 -0.02 1.06 0.00 -0.70 0.50 119.26 122.74 1ni7 h ALA 139 Ca 0.21 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1ni7 h ALA 139 Cb 1.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ni7 h ALA 139 CO -0.00 0.34 -0.92 0.82 0.00 0.00 0.00 179.25 179.49 1ni7 h ILE 140 N 1.00 1.38 0.19 0.00 2.04 -0.40 -2.89 117.51 118.82 1ni7 h ILE 140 Ca 0.30 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 1ni7 h ILE 140 Cb -0.04 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ni7 h ILE 140 CO -0.09 0.71 -0.09 0.40 0.00 0.00 0.00 178.15 179.08 1ni7 h ILE 141 N 0.27 0.82 -0.54 -0.67 1.08 -0.46 0.47 117.51 118.48 1ni7 h ILE 141 Ca -0.08 -0.06 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 1ni7 h ILE 141 Cb 1.55 0.86 -0.08 0.00 -3.07 0.00 0.00 36.82 36.07 1ni7 h ILE 141 CO 0.16 0.01 0.06 0.00 -0.69 0.00 0.00 178.15 177.70 1ni7 h ALA 142 N 0.52 0.58 0.80 1.87 0.00 -0.08 1.58 119.26 124.52 1ni7 h ALA 142 Ca -0.03 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ni7 h ALA 142 Cb 0.22 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ni7 h ALA 142 CO 0.04 -0.35 -0.38 0.00 0.00 0.00 0.00 179.25 178.56 1ni7 h ALA 143 N 1.46 -1.22 -0.93 0.00 0.00 -1.24 -2.67 119.26 114.64 1ni7 h ALA 143 Ca 0.28 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.16 1ni7 h ALA 143 Cb 0.41 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1ni7 h ALA 143 CO -0.41 -1.15 0.61 1.79 0.00 0.00 0.00 179.25 180.10 1ni7 h THR 144 N -1.13 0.68 -0.53 0.00 1.35 0.41 0.68 112.91 114.37 1ni7 h THR 144 Ca -0.11 -0.17 0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1ni7 h THR 144 Cb 0.82 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1ni7 h THR 144 CO 0.18 0.09 0.38 0.11 -0.25 0.00 0.00 175.52 176.03 1ni7 h LYS 145 N 0.49 0.09 -0.03 4.72 1.57 0.26 0.40 116.57 124.07 1ni7 h LYS 145 Ca 0.50 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 59.13 1ni7 h LYS 145 Cb 1.12 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1ni7 h LYS 145 CO -0.22 0.06 -0.54 0.37 -0.57 0.00 0.00 179.45 178.55 1ni7 h GLN 146 N 0.09 0.41 0.32 3.15 -0.00 0.64 -2.41 115.11 117.32 1ni7 h GLN 146 Ca 0.25 -0.41 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 1ni7 h GLN 146 Cb 0.89 0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.48 1ni7 h GLN 146 CO -0.02 1.07 -0.16 0.28 0.00 0.00 0.00 178.83 180.00 1ni7 h VAL 147 N -0.08 0.70 -0.37 2.39 2.07 -0.73 -2.99 116.25 117.24 1ni7 h VAL 147 Ca -0.06 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.31 1ni7 h VAL 147 Cb 1.23 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 1ni7 h VAL 147 CO 0.11 0.05 -0.25 -0.07 0.02 0.00 0.00 177.57 177.42 1ni7 h LEU 148 N -0.56 -0.84 0.00 2.57 3.38 -0.39 -3.51 115.31 115.96 1ni7 h LEU 148 Ca -0.04 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ni7 h LEU 148 Cb 0.41 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ni7 h LEU 148 CO 0.07 -0.28 0.00 1.21 0.09 0.00 0.00 178.44 179.54