#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 0.00 0.00 2.03 -1.32 -1.26 -5.16 115.64 109.93 1ni7 s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1ni7 s THR 2 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1ni7 s THR 2 CO 0.00 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.00 1ni7 n ASN 3 N 1.12 0.00 -4.82 8.08 3.02 -1.26 -5.17 115.26 116.24 1ni7 n ASN 3 Ca -0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.16 1ni7 n ASN 3 Cb 0.58 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.78 1ni7 n ASN 3 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ni7 s PRO 4 N 0.00 3.11 -0.09 3.52 0.04 -1.26 -5.08 135.00 135.25 1ni7 s PRO 4 Ca 0.00 1.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 1ni7 s PRO 4 Cb 0.00 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1ni7 s PRO 4 CO 0.00 -0.97 0.21 -1.14 0.04 0.00 0.00 177.00 175.15 1ni7 s GLN 5 N -4.69 0.19 0.05 4.56 2.00 -1.26 -5.15 119.66 115.35 1ni7 s GLN 5 Ca 0.60 0.44 -0.28 0.00 -2.00 0.00 0.00 55.36 54.12 1ni7 s GLN 5 Cb -0.14 -0.08 0.10 0.00 0.80 0.00 0.00 33.01 33.68 1ni7 s GLN 5 CO 0.48 -0.13 1.17 -0.59 -0.50 0.00 0.00 175.29 175.72 1ni7 s PHE 6 N 0.99 -0.05 -0.34 1.67 -0.12 -1.26 -5.12 117.98 113.74 1ni7 s PHE 6 Ca -0.07 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1ni7 s PHE 6 Cb -0.09 0.59 0.14 0.00 -0.63 0.00 0.00 43.02 43.03 1ni7 s PHE 6 CO -0.06 -0.50 0.26 0.00 -0.05 0.00 0.00 175.22 174.86 1ni7 s ALA 7 N -2.60 0.38 -0.58 1.99 0.00 -1.26 -5.08 121.76 114.61 1ni7 s ALA 7 Ca 0.16 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 50.46 1ni7 s ALA 7 Cb 0.02 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 1ni7 s ALA 7 CO -0.01 -2.04 2.20 0.20 0.00 0.00 0.00 175.76 176.12 1ni7 s GLY 8 N 1.39 -0.23 -0.31 0.00 0.00 -1.26 -4.92 107.32 101.99 1ni7 s GLY 8 Ca 0.16 -0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.30 1ni7 s GLY 8 CO -0.07 3.88 0.74 -2.38 0.00 0.00 0.00 173.10 175.26 1ni7 s HIS 9 N 11.31 3.20 -0.04 1.90 -3.43 -1.26 -4.91 115.29 122.05 1ni7 s HIS 9 Ca 0.86 0.71 0.22 0.00 -0.80 0.00 0.00 55.06 56.05 1ni7 s HIS 9 Cb -0.15 -3.16 0.64 0.00 -1.43 0.00 0.00 32.58 28.48 1ni7 s HIS 9 CO 0.21 -0.55 1.70 -1.00 -2.00 0.00 0.00 174.74 173.10 1ni7 h PRO 10 N 8.18 0.00 -5.69 -0.38 0.13 -1.94 -3.40 132.00 128.89 1ni7 h PRO 10 Ca -0.25 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.42 1ni7 h PRO 10 Cb 1.10 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 1ni7 h PRO 10 CO 0.86 0.24 1.41 -0.06 -0.23 0.00 0.00 178.00 180.22 1ni7 s PHE 11 N -3.40 2.24 0.00 1.56 0.08 -1.26 0.17 117.98 117.38 1ni7 s PHE 11 Ca 0.03 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1ni7 s PHE 11 Cb 0.09 -4.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.23 1ni7 s PHE 11 CO 0.66 -1.54 0.00 0.41 -0.10 0.00 0.00 175.22 174.65 1ni7 n GLY 12 N 5.96 1.56 0.01 4.36 0.00 -0.21 -3.38 105.19 113.50 1ni7 n GLY 12 Ca 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 0.19 0.08 2.61 -1.04 -1.15 -4.35 114.28 110.62 1ni7 n THR 13 Ca 0.00 0.46 -0.22 0.00 -2.04 0.00 0.00 64.05 62.25 1ni7 n THR 13 Cb 0.00 -1.61 -0.15 0.00 -1.82 0.00 0.00 70.33 66.75 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 -0.13 1.40 -3.01 12.58 2.02 -1.81 -3.37 112.91 120.59 1ni7 h THR 14 Ca 0.00 -2.54 -0.77 0.00 0.77 0.00 0.00 66.41 63.87 1ni7 h THR 14 Cb 0.10 3.04 -0.31 0.00 -1.74 0.00 0.00 68.15 69.24 1ni7 h THR 14 CO 0.00 0.74 0.42 0.52 0.37 0.00 0.00 175.52 177.57 1ni7 n VAL 15 N -3.96 4.48 -2.05 3.16 0.31 0.46 -4.86 118.33 115.87 1ni7 n VAL 15 Ca -0.15 -5.62 -0.28 0.00 -0.01 0.00 0.00 64.34 58.28 1ni7 n VAL 15 Cb 0.92 -2.23 0.12 0.00 -0.91 0.00 0.00 33.84 31.74 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 -2.25 2.08 0.38 2.52 2.01 -1.26 -1.04 115.64 118.08 1ni7 s THR 16 Ca 0.32 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.26 1ni7 s THR 16 Cb 0.01 -2.96 0.21 0.00 0.01 0.00 0.00 72.50 69.77 1ni7 s THR 16 CO 0.02 0.00 1.97 0.00 -0.69 0.00 0.00 174.62 175.92 1ni7 h ALA 17 N -1.08 1.54 0.29 7.40 0.00 -1.88 -1.54 119.26 123.99 1ni7 h ALA 17 Ca -0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1ni7 h ALA 17 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ni7 h ALA 17 CO 0.53 0.35 -0.14 1.49 0.00 0.00 0.00 179.25 181.49 1ni7 h GLU 18 N 0.49 -0.37 -1.08 0.00 4.57 -1.98 -2.84 114.58 113.37 1ni7 h GLU 18 Ca 0.12 0.03 0.34 0.00 -1.18 0.00 0.00 59.36 58.66 1ni7 h GLU 18 Cb 0.16 0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 28.70 1ni7 h GLU 18 CO -0.01 -0.16 0.65 1.15 -1.18 0.00 0.00 179.01 179.46 1ni7 h THR 19 N -1.06 0.30 -0.55 0.32 2.02 -1.87 1.24 112.91 113.31 1ni7 h THR 19 Ca -0.04 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1ni7 h THR 19 Cb 0.38 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1ni7 h THR 19 CO 0.06 0.05 0.15 -0.07 0.37 0.00 0.00 175.52 176.09 1ni7 h LEU 20 N 0.28 0.82 -2.33 2.58 3.38 -1.32 -1.32 115.31 117.41 1ni7 h LEU 20 Ca 0.73 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1ni7 h LEU 20 Cb 1.85 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1ni7 h LEU 20 CO -0.51 0.82 0.00 -0.09 0.09 0.00 0.00 178.44 178.75 1ni7 h ARG 21 N 0.77 0.00 -0.11 1.13 2.43 0.18 -0.36 114.38 118.41 1ni7 h ARG 21 Ca 0.17 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.14 1ni7 h ARG 21 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ni7 h ARG 21 CO -0.00 0.00 -0.75 -0.97 -1.51 0.00 0.00 179.97 176.74 1ni7 h ASN 22 N 0.00 0.68 0.41 -3.80 -0.73 -0.21 1.32 115.58 113.26 1ni7 h ASN 22 Ca 0.00 -0.44 -0.23 0.00 1.87 0.00 0.00 56.30 57.50 1ni7 h ASN 22 Cb 0.12 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1ni7 h ASN 22 CO 0.00 1.21 -0.98 0.74 -0.37 0.00 0.00 177.43 178.03 1ni7 h THR 23 N 0.39 1.43 0.00 -3.57 2.02 -0.99 -3.24 112.91 108.94 1ni7 h THR 23 Ca -0.04 -2.56 -0.10 0.00 0.77 0.00 0.00 66.41 64.47 1ni7 h THR 23 Cb 1.35 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 1ni7 h THR 23 CO 0.14 0.76 -0.95 -0.26 0.37 0.00 0.00 175.52 175.58 1ni7 h PHE 24 N 0.19 0.00 -1.00 3.16 0.04 -1.28 -3.31 116.94 114.75 1ni7 h PHE 24 Ca -0.08 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.85 1ni7 h PHE 24 Cb 1.63 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.61 1ni7 h PHE 24 CO 0.06 0.39 -0.35 0.00 -0.60 0.00 0.00 178.31 177.81 1ni7 n ALA 25 N -2.28 -0.01 -0.02 2.45 0.00 0.45 -0.67 120.51 120.44 1ni7 n ALA 25 Ca -0.03 1.03 -0.16 0.00 0.00 0.00 0.00 53.44 54.27 1ni7 n ALA 25 Cb 0.72 -0.51 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.31 -5.25 0.00 0.13 -1.73 -3.41 132.00 122.05 1ni7 h PRO 26 Ca 0.39 -0.30 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1ni7 h PRO 26 Cb 0.64 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1ni7 h PRO 26 CO -1.00 0.98 0.46 1.28 -0.23 0.00 0.00 178.00 179.49 1ni7 n LEU 27 N -4.38 1.02 -0.35 1.56 4.77 0.16 -4.64 117.00 115.14 1ni7 n LEU 27 Ca -0.09 -1.33 0.13 0.00 -0.03 0.00 0.00 56.01 54.68 1ni7 n LEU 27 Cb 0.56 -1.41 0.57 0.00 -2.33 0.00 0.00 43.42 40.81 1ni7 n LEU 27 CO 0.43 -2.41 0.89 1.07 -1.33 0.00 0.00 177.39 176.03 1ni7 n THR 28 N 8.05 0.06 -4.20 -5.08 5.66 -1.26 -4.83 114.28 112.68 1ni7 n THR 28 Ca 0.51 -0.20 -0.33 0.00 -3.05 0.00 0.00 64.05 60.98 1ni7 n THR 28 Cb 0.37 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 69.25 1ni7 n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ni7 s GLN 29 N -1.94 2.95 -0.01 1.09 0.00 -1.26 -5.01 119.66 115.47 1ni7 s GLN 29 Ca 0.37 -0.52 -0.16 0.00 -0.00 0.00 0.00 55.36 55.05 1ni7 s GLN 29 Cb 0.19 -2.78 -0.34 0.00 0.00 0.00 0.00 33.01 30.08 1ni7 s GLN 29 CO 0.31 0.65 0.89 2.35 0.00 0.00 0.00 175.29 179.48 1ni7 h TRP 30 N 4.32 0.83 -0.80 9.60 7.01 -1.97 -3.03 115.95 131.91 1ni7 h TRP 30 Ca -0.49 -0.61 0.13 0.00 2.11 0.00 0.00 58.89 60.03 1ni7 h TRP 30 Cb 1.18 -0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 28.12 1ni7 h TRP 30 CO 0.63 1.55 0.39 1.05 -2.79 0.00 0.00 178.44 179.27 1ni7 h GLU 31 N 0.03 0.57 -0.09 2.65 4.11 -1.98 0.37 114.58 120.23 1ni7 h GLU 31 Ca -0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.13 1ni7 h GLU 31 Cb 2.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 1ni7 h GLU 31 CO 0.22 0.37 0.02 0.22 0.07 0.00 0.00 179.01 179.92 1ni7 h ASP 32 N 0.58 0.14 0.15 3.06 1.82 -1.98 0.13 116.42 120.32 1ni7 h ASP 32 Ca 0.43 -0.24 0.02 0.00 -0.39 0.00 0.00 57.03 56.85 1ni7 h ASP 32 Cb 0.58 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.52 1ni7 h ASP 32 CO -0.35 0.34 -0.36 0.11 -1.61 0.00 0.00 179.24 177.37 1ni7 h LYS 33 N -0.07 -0.59 -0.02 0.28 1.57 -1.05 0.73 116.57 117.42 1ni7 h LYS 33 Ca 0.03 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ni7 h LYS 33 Cb 0.26 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ni7 h LYS 33 CO 0.00 -0.39 0.02 -0.92 -0.57 0.00 0.00 179.45 177.59 1ni7 h TYR 34 N -0.61 0.00 0.23 -1.35 3.20 -0.27 0.21 116.97 118.38 1ni7 h TYR 34 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1ni7 h TYR 34 Cb 0.62 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1ni7 h TYR 34 CO -0.30 0.00 -0.11 0.00 -1.64 0.00 0.00 178.16 176.11 1ni7 h ARG 35 N 0.00 -0.30 -0.45 1.82 3.08 0.14 -3.29 114.38 115.37 1ni7 h ARG 35 Ca 0.01 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1ni7 h ARG 35 Cb 0.05 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ni7 h ARG 35 CO -0.00 -0.20 0.31 0.37 -1.07 0.00 0.00 179.97 179.38 1ni7 h GLN 36 N -1.02 0.25 -1.01 0.04 -0.00 0.59 -0.33 115.11 113.64 1ni7 h GLN 36 Ca -0.03 -0.01 0.22 0.00 -0.00 0.00 0.00 58.65 58.82 1ni7 h GLN 36 Cb 0.24 -0.06 -0.11 0.00 0.00 0.00 0.00 27.48 27.55 1ni7 h GLN 36 CO 0.05 0.16 0.61 -0.07 0.00 0.00 0.00 178.83 179.59 1ni7 h LEU 37 N 0.25 0.70 -0.99 -2.39 3.38 -0.65 0.76 115.31 116.37 1ni7 h LEU 37 Ca 0.21 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ni7 h LEU 37 Cb 0.49 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1ni7 h LEU 37 CO -0.04 0.18 0.63 0.40 0.09 0.00 0.00 178.44 179.70 1ni7 h ILE 38 N 0.65 1.26 0.00 1.22 2.04 -1.12 -1.19 117.51 120.37 1ni7 h ILE 38 Ca 0.61 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 1ni7 h ILE 38 Cb 1.10 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1ni7 h ILE 38 CO -0.41 0.26 -0.47 0.24 0.00 0.00 0.00 178.15 177.77 1ni7 h MET 39 N 1.34 0.00 -1.00 2.37 2.86 0.36 -2.92 114.93 117.95 1ni7 h MET 39 Ca 0.36 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.19 1ni7 h MET 39 Cb -0.12 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.44 1ni7 h MET 39 CO -0.07 0.47 0.61 -0.07 1.06 0.00 0.00 176.91 178.91 1ni7 h LEU 40 N 0.00 0.73 -0.37 1.22 3.38 0.39 0.14 115.31 120.81 1ni7 h LEU 40 Ca -0.00 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1ni7 h LEU 40 Cb 0.88 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1ni7 h LEU 40 CO 0.06 0.25 -0.16 1.23 0.09 0.00 0.00 178.44 179.91 1ni7 h GLY 41 N 0.70 0.82 0.05 0.83 0.00 -1.50 -2.81 103.07 101.17 1ni7 h GLY 41 Ca 0.57 -0.73 0.22 0.00 0.00 0.00 0.00 47.33 47.39 1ni7 h GLY 41 CO -0.36 0.66 0.62 0.50 0.00 0.00 0.00 176.54 177.97 1ni7 h LYS 42 N 0.55 0.57 -0.27 4.80 1.57 -0.79 0.62 116.57 123.62 1ni7 h LYS 42 Ca 0.08 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1ni7 h LYS 42 Cb 0.70 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1ni7 h LYS 42 CO 0.05 0.37 -0.33 1.96 -0.57 0.00 0.00 179.45 180.93 1ni7 h GLN 43 N 0.58 0.58 -6.93 3.15 4.20 -1.17 -3.44 115.11 112.09 1ni7 h GLN 43 Ca 0.57 -0.26 -0.53 0.00 0.06 0.00 0.00 58.65 58.49 1ni7 h GLN 43 Cb 1.15 -0.01 0.09 0.00 0.30 0.00 0.00 27.48 29.01 1ni7 h GLN 43 CO -0.34 0.84 0.70 -1.17 -0.67 0.00 0.00 178.83 178.18 1ni7 s LEU 44 N -8.63 4.32 0.59 1.46 0.20 0.22 -4.98 118.68 111.85 1ni7 s LEU 44 Ca -0.08 2.85 -0.16 0.00 0.69 0.00 0.00 54.13 57.44 1ni7 s LEU 44 Cb 0.13 -3.73 -0.04 0.00 -0.43 0.00 0.00 46.19 42.12 1ni7 s LEU 44 CO 0.82 -0.79 1.05 -2.16 -0.29 0.00 0.00 176.35 174.98 1ni7 s PRO 45 N -2.06 3.37 -0.25 0.98 0.04 -1.26 -4.97 135.00 130.85 1ni7 s PRO 45 Ca 0.53 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1ni7 s PRO 45 Cb -0.42 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1ni7 s PRO 45 CO 0.57 -0.76 1.32 0.00 0.04 0.00 0.00 177.00 178.16 1ni7 s ALA 46 N -2.51 3.44 -0.16 8.56 0.00 -1.26 -4.96 121.76 124.88 1ni7 s ALA 46 Ca 0.63 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1ni7 s ALA 46 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1ni7 s ALA 46 CO 0.37 -1.61 1.56 -1.17 0.00 0.00 0.00 175.76 174.91 1ni7 s LEU 47 N 4.19 4.08 0.76 0.00 2.96 -1.26 -4.99 118.68 124.42 1ni7 s LEU 47 Ca 0.57 1.82 -0.11 0.00 -0.22 0.00 0.00 54.13 56.19 1ni7 s LEU 47 Cb -0.19 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.02 1ni7 s LEU 47 CO 0.21 -1.06 1.08 -2.16 -1.32 0.00 0.00 176.35 173.11 1ni7 s PRO 48 N 4.25 2.39 0.05 0.98 0.04 -1.26 -4.83 135.00 136.62 1ni7 s PRO 48 Ca 0.69 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 1ni7 s PRO 48 Cb -0.27 -1.94 -0.18 0.00 0.04 0.00 0.00 34.50 32.15 1ni7 s PRO 48 CO 0.26 -1.43 1.48 -0.44 0.04 0.00 0.00 177.00 176.91 1ni7 h ASP 49 N -0.96 -0.59 -0.92 6.66 3.32 -1.97 0.59 116.42 122.55 1ni7 h ASP 49 Ca -0.46 -0.03 0.26 0.00 0.02 0.00 0.00 57.03 56.82 1ni7 h ASP 49 Cb 1.25 0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.80 1ni7 h ASP 49 CO 0.58 -0.33 0.25 -0.08 -1.72 0.00 0.00 179.24 177.94 1ni7 h GLU 50 N -0.82 0.16 -0.07 3.56 4.57 -1.99 0.98 114.58 120.97 1ni7 h GLU 50 Ca -0.07 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 57.88 1ni7 h GLU 50 Cb 0.58 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1ni7 h GLU 50 CO 0.12 0.10 -0.85 -0.07 -1.18 0.00 0.00 179.01 177.13 1ni7 h LEU 51 N 0.16 0.74 -1.09 1.64 -0.00 -1.87 -2.99 115.31 111.89 1ni7 h LEU 51 Ca 0.60 -0.52 0.12 0.00 -0.00 0.00 0.00 57.88 58.07 1ni7 h LEU 51 Cb 1.27 -0.22 -0.08 0.00 -0.00 0.00 0.00 40.66 41.63 1ni7 h LEU 51 CO -0.71 1.31 0.61 0.50 -0.00 0.00 0.00 178.44 180.15 1ni7 h LYS 52 N 0.38 0.91 0.00 1.13 3.64 0.64 0.74 116.57 124.02 1ni7 h LYS 52 Ca -0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1ni7 h LYS 52 Cb 1.47 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1ni7 h LYS 52 CO 0.16 0.60 -0.09 0.00 -2.27 0.00 0.00 179.45 177.85 1ni7 h ALA 53 N 1.55 1.01 0.00 5.00 0.00 -0.38 -1.87 119.26 124.57 1ni7 h ALA 53 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ni7 h ALA 53 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ni7 h ALA 53 CO -0.24 0.11 -0.23 1.04 0.00 0.00 0.00 179.25 179.93 1ni7 n GLN 54 N -3.21 0.13 -2.57 0.00 3.00 0.25 -4.86 117.38 110.12 1ni7 n GLN 54 Ca 0.01 0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.93 1ni7 n GLN 54 Cb 0.36 -1.62 0.03 0.00 0.00 0.00 0.00 30.24 29.01 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 -1.64 0.69 -2.85 -1.58 0.00 -0.33 -4.80 120.51 109.99 1ni7 n ALA 55 Ca 0.06 -1.37 -0.26 0.00 0.00 0.00 0.00 53.44 51.86 1ni7 n ALA 55 Cb 0.38 0.46 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 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 -3.59 3.11 -0.11 0.00 1.02 0.54 -4.86 119.74 115.86 1ni7 s LYS 56 Ca 0.31 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 55.29 1ni7 s LYS 56 Cb -0.02 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1ni7 s LYS 56 CO 0.20 0.50 0.79 -1.21 -0.92 0.00 0.00 175.35 174.71 1ni7 s GLU 57 N -3.15 4.38 0.30 1.68 2.02 -1.26 -1.02 118.70 121.65 1ni7 s GLU 57 Ca 0.32 1.00 0.08 0.00 0.02 0.00 0.00 54.97 56.39 1ni7 s GLU 57 Cb -0.10 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1ni7 s GLU 57 CO 0.25 -0.13 0.21 0.42 0.02 0.00 0.00 175.26 176.03 1ni7 s ILE 58 N 1.46 3.80 0.31 -1.63 -1.09 -0.83 -4.93 121.20 118.30 1ni7 s ILE 58 Ca 0.39 -1.47 -0.15 0.00 -2.23 0.00 0.00 60.65 57.19 1ni7 s ILE 58 Cb -0.18 -3.21 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1ni7 s ILE 58 CO 0.17 -0.26 0.65 0.00 -1.23 0.00 0.00 174.94 174.27 1ni7 s ALA 59 N -2.26 -0.61 0.00 9.38 0.00 -1.26 -4.34 121.76 122.67 1ni7 s ALA 59 Ca 0.37 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1ni7 s ALA 59 Cb -0.06 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ni7 s ALA 59 CO 0.25 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1ni7 n GLY 60 N -0.47 2.27 3.86 0.00 0.00 -1.26 -4.85 105.19 104.74 1ni7 n GLY 60 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 n GLU 62 N -3.41 0.08 -3.72 0.00 1.02 -1.26 -4.79 120.64 108.56 1ni7 n GLU 62 Ca 0.07 0.44 -0.06 0.00 -0.02 0.00 0.00 57.16 57.59 1ni7 n GLU 62 Cb 0.60 -1.69 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 1ni7 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ni7 n ASN 63 N -1.84 -2.01 -4.78 1.62 3.02 -1.26 -4.89 115.26 105.12 1ni7 n ASN 63 Ca 0.01 -2.28 -0.41 0.00 -0.03 0.00 0.00 54.58 51.88 1ni7 n ASN 63 Cb 0.11 3.32 0.00 0.00 -0.61 0.00 0.00 39.78 42.61 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 -2.07 4.05 0.19 3.52 1.70 -1.26 -4.81 118.95 120.27 1ni7 s ARG 64 Ca 0.18 2.54 -0.14 0.00 -0.47 0.00 0.00 55.73 57.84 1ni7 s ARG 64 Cb -0.04 -2.92 0.01 0.00 -0.57 0.00 0.00 34.95 31.43 1ni7 s ARG 64 CO 0.09 -0.57 0.44 0.54 -1.08 0.00 0.00 175.30 174.73 1ni7 s VAL 65 N -1.13 0.04 0.23 4.99 0.11 -1.26 -2.23 120.40 121.14 1ni7 s VAL 65 Ca 0.54 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 1ni7 s VAL 65 Cb -0.46 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.63 1ni7 s VAL 65 CO 0.62 -0.17 0.23 0.26 -3.33 0.00 0.00 175.10 172.71 1ni7 s TRP 66 N -3.92 1.03 -0.29 1.54 0.51 0.53 -1.96 118.94 116.39 1ni7 s TRP 66 Ca 0.13 -1.26 -0.15 0.00 -2.12 0.00 0.00 56.10 52.70 1ni7 s TRP 66 Cb 0.00 -0.39 0.13 0.00 -0.81 0.00 0.00 33.47 32.40 1ni7 s TRP 66 CO -0.01 -0.76 0.85 -1.17 -0.51 0.00 0.00 176.95 175.35 1ni7 s LEU 67 N -3.15 -0.74 -0.02 2.99 2.96 -0.18 -2.59 118.68 117.95 1ni7 s LEU 67 Ca 0.35 1.12 0.05 0.00 -0.22 0.00 0.00 54.13 55.43 1ni7 s LEU 67 Cb 0.05 2.00 -0.01 0.00 0.50 0.00 0.00 46.19 48.72 1ni7 s LEU 67 CO 0.13 -0.17 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.00 1ni7 s GLY 68 N 1.86 0.79 0.17 7.98 0.00 0.50 0.20 107.32 118.82 1ni7 s GLY 68 Ca -0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 44.72 43.92 1ni7 s GLY 68 CO -0.17 -0.50 0.21 -2.52 0.00 0.00 0.00 173.10 170.11 1ni7 s TYR 69 N -0.27 0.67 0.37 1.90 -0.85 -1.26 0.17 117.35 118.09 1ni7 s TYR 69 Ca 0.04 -1.01 -0.15 0.00 -0.52 0.00 0.00 57.07 55.42 1ni7 s TYR 69 Cb -0.07 -0.25 0.05 0.00 0.38 0.00 0.00 41.96 42.07 1ni7 s TYR 69 CO -0.00 -0.68 0.76 0.95 -1.52 0.00 0.00 175.55 175.06 1ni7 s THR 70 N -4.03 0.00 -0.03 -3.49 -4.23 -1.24 -4.97 115.64 97.65 1ni7 s THR 70 Ca 0.24 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1ni7 s THR 70 Cb 0.05 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1ni7 s THR 70 CO 0.04 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.69 1ni7 s VAL 71 N -2.51 0.94 0.00 2.29 -7.23 -1.26 -3.18 120.40 109.45 1ni7 s VAL 71 Ca 0.16 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1ni7 s VAL 71 Cb -0.05 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1ni7 s VAL 71 CO 0.12 0.29 0.00 0.00 -0.31 0.00 0.00 175.10 175.20 1ni7 n ALA 72 N 3.31 0.00 -0.09 1.32 0.00 -1.26 -4.88 120.51 118.92 1ni7 n ALA 72 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1ni7 n ALA 72 Cb 0.54 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.17 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 0.73 0.02 0.00 4.11 -2.01 -2.59 114.58 114.85 1ni7 h GLU 73 Ca 0.00 -0.19 -0.24 0.00 0.07 0.00 0.00 59.36 59.00 1ni7 h GLU 73 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1ni7 h GLU 73 CO 0.00 0.75 -1.20 -0.97 0.07 0.00 0.00 179.01 177.67 1ni7 h ASN 74 N 0.69 0.06 0.00 3.06 -1.24 -2.04 -3.47 115.58 112.64 1ni7 h ASN 74 Ca 0.14 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1ni7 h ASN 74 Cb 0.43 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1ni7 h ASN 74 CO 0.02 1.06 0.00 0.61 -1.29 0.00 0.00 177.43 177.83 1ni7 n GLY 75 N 1.43 2.06 3.48 1.57 0.00 -0.98 -5.02 105.19 107.73 1ni7 n GLY 75 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.86 0.30 -1.88 1.61 5.02 -1.26 -4.29 118.16 116.80 1ni7 n LYS 76 Ca 0.00 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 1ni7 n LYS 76 Cb 0.00 -1.97 0.03 0.00 -0.02 0.00 0.00 35.03 33.07 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 8.34 3.01 -0.25 1.97 -1.94 -0.76 -4.06 119.30 125.61 1ni7 s MET 77 Ca 1.25 1.34 -0.03 0.00 -1.71 0.00 0.00 55.69 56.53 1ni7 s MET 77 Cb -1.03 -1.98 0.10 0.00 2.01 0.00 0.00 34.83 33.93 1ni7 s MET 77 CO 0.46 -1.08 0.19 -1.01 -0.01 0.00 0.00 175.02 173.57 1ni7 s HIS 78 N -2.35 -0.06 0.44 -0.03 3.76 -1.19 -3.79 115.29 112.06 1ni7 s HIS 78 Ca 0.66 -0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 55.12 1ni7 s HIS 78 Cb -0.19 -0.61 -0.07 0.00 1.11 0.00 0.00 32.58 32.82 1ni7 s HIS 78 CO 0.39 -0.75 0.83 -0.06 -0.85 0.00 0.00 174.74 174.31 1ni7 s PHE 79 N 2.23 3.47 -0.30 1.40 0.40 -1.26 -3.60 117.98 120.32 1ni7 s PHE 79 Ca 0.08 1.17 -0.12 0.00 -0.60 0.00 0.00 56.93 57.45 1ni7 s PHE 79 Cb -0.15 -2.55 0.15 0.00 0.51 0.00 0.00 43.02 40.98 1ni7 s PHE 79 CO -0.25 -0.19 0.83 -0.59 0.70 0.00 0.00 175.22 175.72 1ni7 s PHE 80 N -2.45 -1.00 0.01 0.36 -0.71 0.46 -4.92 117.98 109.74 1ni7 s PHE 80 Ca 0.53 1.68 -0.00 0.00 -1.04 0.00 0.00 56.93 58.10 1ni7 s PHE 80 Cb -0.10 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1ni7 s PHE 80 CO 0.31 -0.50 0.02 0.41 -1.34 0.00 0.00 175.22 174.13 1ni7 n GLY 81 N 5.21 2.97 3.48 1.99 0.00 -1.26 0.19 105.19 117.77 1ni7 n GLY 81 Ca -0.10 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1ni7 n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ni7 s ASP 82 N -1.09 -0.43 0.27 1.61 1.11 -1.07 -4.93 116.67 112.14 1ni7 s ASP 82 Ca 0.01 -0.00 -0.10 0.00 0.18 0.00 0.00 52.55 52.63 1ni7 s ASP 82 Cb -0.00 0.45 -0.00 0.00 1.07 0.00 0.00 42.92 44.44 1ni7 s ASP 82 CO 0.01 -0.73 0.47 -0.55 1.18 0.00 0.00 175.17 175.54 1ni7 s SER 83 N -2.57 0.10 -0.14 0.27 0.15 -1.26 -0.35 113.70 109.91 1ni7 s SER 83 Ca 0.04 -1.07 -0.11 0.00 0.70 0.00 0.00 55.95 55.51 1ni7 s SER 83 Cb -0.01 0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 64.82 1ni7 s SER 83 CO -0.10 -1.17 0.09 -0.33 1.20 0.00 0.00 173.24 172.92 1ni7 h GLU 84 N 2.24 0.00 -5.27 5.44 4.39 -1.76 -3.45 114.58 116.17 1ni7 h GLU 84 Ca -0.27 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.85 1ni7 h GLU 84 Cb 1.25 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 30.01 1ni7 h GLU 84 CO 0.37 0.32 -0.57 0.41 -1.16 0.00 0.00 179.01 178.39 1ni7 n GLY 85 N 1.64 -1.78 0.17 -3.84 0.00 -1.26 -4.77 105.19 95.34 1ni7 n GLY 85 Ca -0.10 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1ni7 n GLY 85 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ni7 h ARG 86 N 0.72 -0.30 -0.80 1.61 3.08 -1.92 -0.65 114.38 116.12 1ni7 h ARG 86 Ca -0.27 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1ni7 h ARG 86 Cb 1.27 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1ni7 h ARG 86 CO 0.48 0.01 0.39 0.82 -1.07 0.00 0.00 179.97 180.60 1ni7 h ILE 87 N -0.98 1.25 -0.56 2.04 1.08 -1.89 -1.57 117.51 116.88 1ni7 h ILE 87 Ca -0.03 -0.68 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1ni7 h ILE 87 Cb 0.45 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1ni7 h ILE 87 CO 0.05 0.29 0.16 0.58 -0.69 0.00 0.00 178.15 178.54 1ni7 h VAL 88 N 1.14 1.22 0.01 1.67 2.07 -1.93 0.13 116.25 120.56 1ni7 h VAL 88 Ca 0.28 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1ni7 h VAL 88 Cb 0.10 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1ni7 h VAL 88 CO -0.04 0.30 -0.20 -0.09 0.02 0.00 0.00 177.57 177.56 1ni7 h ARG 89 N 0.82 -0.32 -0.35 1.57 2.43 -0.09 -1.13 114.38 117.31 1ni7 h ARG 89 Ca 0.18 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1ni7 h ARG 89 Cb 0.27 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1ni7 h ARG 89 CO -0.01 -0.21 -0.16 0.78 -1.51 0.00 0.00 179.97 178.87 1ni7 h GLY 90 N -0.33 0.79 -0.24 2.80 0.00 -1.22 -2.83 103.07 102.03 1ni7 h GLY 90 Ca 0.06 -0.70 0.22 0.00 0.00 0.00 0.00 47.33 46.91 1ni7 h GLY 90 CO -0.18 0.64 0.37 1.41 0.00 0.00 0.00 176.54 178.78 1ni7 h LEU 91 N 0.51 0.28 -0.56 3.11 3.38 -0.39 0.70 115.31 122.34 1ni7 h LEU 91 Ca 0.08 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1ni7 h LEU 91 Cb 0.69 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1ni7 h LEU 91 CO 0.05 -0.03 0.08 0.25 0.09 0.00 0.00 178.44 178.88 1ni7 h LEU 92 N 0.37 0.90 -0.53 1.67 6.46 -1.05 -2.36 115.31 120.77 1ni7 h LEU 92 Ca 0.56 -0.27 0.11 0.00 -0.12 0.00 0.00 57.88 58.16 1ni7 h LEU 92 Cb 1.08 -0.24 -0.10 0.00 -0.73 0.00 0.00 40.66 40.68 1ni7 h LEU 92 CO -0.55 0.94 -0.08 0.00 -0.62 0.00 0.00 178.44 178.13 1ni7 h ALA 93 N 0.99 0.41 -0.47 1.25 0.00 0.59 0.62 119.26 122.65 1ni7 h ALA 93 Ca 0.17 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1ni7 h ALA 93 Cb 0.43 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ni7 h ALA 93 CO 0.01 -0.42 0.26 0.28 0.00 0.00 0.00 179.25 179.38 1ni7 h VAL 94 N 0.04 1.15 0.60 0.00 2.07 -0.99 -1.91 116.25 117.22 1ni7 h VAL 94 Ca 0.26 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1ni7 h VAL 94 Cb 0.40 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ni7 h VAL 94 CO -0.50 0.16 -0.29 0.25 0.02 0.00 0.00 177.57 177.21 1ni7 h LEU 95 N 0.65 -0.69 -1.75 2.57 6.46 0.49 -1.10 115.31 121.94 1ni7 h LEU 95 Ca 0.17 -0.03 0.19 0.00 -0.12 0.00 0.00 57.88 58.09 1ni7 h LEU 95 Cb 0.02 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1ni7 h LEU 95 CO -0.03 -0.34 0.69 -0.07 -0.62 0.00 0.00 178.44 178.08 1ni7 h LEU 96 N -1.05 0.00 -0.01 2.25 4.07 0.18 0.41 115.31 121.16 1ni7 h LEU 96 Ca -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1ni7 h LEU 96 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1ni7 h LEU 96 CO 0.14 0.00 -0.11 0.74 -1.08 0.00 0.00 178.44 178.12 1ni7 h THR 97 N 0.00 1.57 -0.25 0.22 2.02 -0.81 -3.10 112.91 112.56 1ni7 h THR 97 Ca 0.32 -1.83 0.07 0.00 0.77 0.00 0.00 66.41 65.74 1ni7 h THR 97 Cb 1.70 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 70.86 1ni7 h THR 97 CO -0.00 0.49 0.31 0.00 0.37 0.00 0.00 175.52 176.69 1ni7 h ALA 98 N 0.26 1.86 -0.87 6.16 0.00 0.11 0.72 119.26 127.50 1ni7 h ALA 98 Ca -0.01 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 1ni7 h ALA 98 Cb 0.86 0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.39 1ni7 h ALA 98 CO 0.02 -0.44 0.51 1.33 0.00 0.00 0.00 179.25 180.67 1ni7 n VAL 99 N -3.64 3.17 -1.54 0.00 0.24 -0.69 -4.87 118.33 111.01 1ni7 n VAL 99 Ca 0.03 -2.45 -0.15 0.00 -2.04 0.00 0.00 64.34 59.74 1ni7 n VAL 99 Cb 0.45 -0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.07 0.42 -4.36 7.34 0.00 0.25 -2.95 120.64 120.28 1ni7 n GLU 100 Ca 0.55 -0.67 -0.35 0.00 0.00 0.00 0.00 57.16 56.69 1ni7 n GLU 100 Cb 1.27 -3.07 -0.09 0.00 0.00 0.00 0.00 31.44 29.55 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 6.49 -0.23 3.95 8.31 0.00 -1.25 -4.90 105.19 117.56 1ni7 n GLY 101 Ca 0.52 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.43 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 -7.20 3.26 0.36 1.61 1.02 -1.15 -4.56 119.74 113.07 1ni7 s LYS 102 Ca 0.35 -0.44 -0.04 0.00 0.02 0.00 0.00 55.97 55.87 1ni7 s LYS 102 Cb -0.20 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1ni7 s LYS 102 CO 0.99 -0.07 0.62 0.95 -0.92 0.00 0.00 175.35 176.91 1ni7 s THR 103 N -2.44 5.00 0.22 2.17 -4.23 -1.26 -1.83 115.64 113.28 1ni7 s THR 103 Ca 0.45 -0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1ni7 s THR 103 Cb -0.10 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 70.14 1ni7 s THR 103 CO 0.37 -0.52 1.68 0.00 -0.54 0.00 0.00 174.62 175.61 1ni7 h ALA 104 N 1.05 0.75 0.29 3.99 0.00 -1.94 0.88 119.26 124.28 1ni7 h ALA 104 Ca -0.48 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ni7 h ALA 104 Cb 1.20 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1ni7 h ALA 104 CO 0.64 -0.35 -0.39 0.00 0.00 0.00 0.00 179.25 179.15 1ni7 h ALA 105 N 1.55 -1.00 -0.80 0.00 0.00 -1.93 -0.86 119.26 116.21 1ni7 h ALA 105 Ca 0.35 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.32 1ni7 h ALA 105 Cb 0.56 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1ni7 h ALA 105 CO -0.48 -1.05 0.04 0.93 0.00 0.00 0.00 179.25 178.69 1ni7 h GLU 106 N -0.70 0.11 -0.63 0.00 5.08 -1.72 0.86 114.58 117.57 1ni7 h GLU 106 Ca -0.03 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 1ni7 h GLU 106 Cb 0.64 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1ni7 h GLU 106 CO -0.11 0.07 0.16 -0.07 -1.00 0.00 0.00 179.01 178.07 1ni7 h LEU 107 N 0.11 0.06 -0.69 1.33 3.38 -0.14 0.53 115.31 119.89 1ni7 h LEU 107 Ca 0.45 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 1ni7 h LEU 107 Cb 0.83 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ni7 h LEU 107 CO -0.69 0.03 -0.15 1.56 0.09 0.00 0.00 178.44 179.28 1ni7 h GLN 108 N 0.30 0.00 0.00 1.13 4.20 0.15 -2.83 115.11 118.06 1ni7 h GLN 108 Ca 0.34 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.93 1ni7 h GLN 108 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1ni7 h GLN 108 CO -0.40 0.15 -0.57 0.00 -0.67 0.00 0.00 178.83 177.34 1ni7 h ALA 109 N 1.85 0.89 -2.68 3.87 0.00 0.51 -3.44 119.26 120.27 1ni7 h ALA 109 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1ni7 h ALA 109 Cb 0.87 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.30 1ni7 h ALA 109 CO 0.02 0.71 -0.30 -1.14 0.00 0.00 0.00 179.25 178.53 1ni7 s GLN 110 N -3.47 0.39 0.41 0.00 0.74 0.82 -5.05 119.66 113.50 1ni7 s GLN 110 Ca -0.00 0.75 -0.24 0.00 0.05 0.00 0.00 55.36 55.91 1ni7 s GLN 110 Cb 0.11 -0.00 -0.08 0.00 1.10 0.00 0.00 33.01 34.14 1ni7 s GLN 110 CO 0.74 -0.15 1.11 -1.12 -0.55 0.00 0.00 175.29 175.32 1ni7 s SER 111 N 1.25 6.58 0.00 6.67 0.01 -1.25 -4.44 113.70 122.51 1ni7 s SER 111 Ca -0.08 2.18 0.24 0.00 1.31 0.00 0.00 55.95 59.60 1ni7 s SER 111 Cb -0.08 -2.60 1.40 0.00 0.21 0.00 0.00 66.02 64.95 1ni7 s SER 111 CO -0.11 -0.63 1.79 -0.81 0.41 0.00 0.00 173.24 173.90 1ni7 n PRO 112 N -0.09 0.69 0.21 12.44 -0.04 -1.26 -2.38 135.00 144.57 1ni7 n PRO 112 Ca 0.05 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1ni7 n PRO 112 Cb 0.48 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.32 1.53 3.38 -1.98 -3.30 115.31 115.25 1ni7 h LEU 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ni7 h LEU 113 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ni7 h LEU 113 CO 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 178.44 178.11 1ni7 h ALA 114 N 2.06 -0.87 -0.77 1.53 0.00 -1.87 -1.28 119.26 118.07 1ni7 h ALA 114 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ni7 h ALA 114 Cb 0.95 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 1ni7 h ALA 114 CO 0.00 -1.04 -0.51 1.25 0.00 0.00 0.00 179.25 178.95 1ni7 h LEU 115 N -0.79 -1.85 -0.59 0.00 6.46 -1.80 1.54 115.31 118.28 1ni7 h LEU 115 Ca -0.02 0.27 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 1ni7 h LEU 115 Cb 0.73 0.80 -0.11 0.00 -0.73 0.00 0.00 40.66 41.36 1ni7 h LEU 115 CO -0.12 -0.23 -0.37 -0.26 -0.62 0.00 0.00 178.44 176.84 1ni7 h PHE 116 N -0.07 -1.03 -0.85 1.25 -1.00 -1.64 0.67 116.94 114.26 1ni7 h PHE 116 Ca 0.12 0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.99 1ni7 h PHE 116 Cb 0.39 0.54 -0.04 0.00 3.61 0.00 0.00 35.95 40.45 1ni7 h PHE 116 CO -0.95 -0.40 0.56 0.22 -1.61 0.00 0.00 178.31 176.13 1ni7 h ASP 117 N -0.18 0.97 0.68 2.17 1.82 0.43 0.62 116.42 122.92 1ni7 h ASP 117 Ca 0.22 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 1ni7 h ASP 117 Cb 0.56 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1ni7 h ASP 117 CO -0.68 0.69 -0.44 -0.33 -1.61 0.00 0.00 179.24 176.87 1ni7 h GLU 118 N 1.14 -1.02 0.00 0.28 4.39 0.58 -1.54 114.58 118.41 1ni7 h GLU 118 Ca 0.32 0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 1ni7 h GLU 118 Cb -0.11 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ni7 h GLU 118 CO -0.08 -0.68 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.02 1ni7 h LEU 119 N -1.05 0.00 0.26 1.33 3.38 0.32 -3.45 115.31 116.09 1ni7 h LEU 119 Ca -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1ni7 h LEU 119 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ni7 h LEU 119 CO 0.08 0.01 -0.07 0.61 0.09 0.00 0.00 178.44 179.15 1ni7 n GLY 120 N -0.83 0.30 0.16 0.83 0.00 0.18 -4.93 105.19 100.91 1ni7 n GLY 120 Ca -0.02 -0.75 0.10 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 -0.03 0.00 -1.69 0.99 3.38 -0.93 -3.38 115.31 113.64 1ni7 h LEU 121 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1ni7 h LEU 121 Cb 1.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 1ni7 h LEU 121 CO 0.08 0.11 -0.27 0.54 0.09 0.00 0.00 178.44 178.98 1ni7 n ARG 122 N -2.94 0.00 0.26 1.13 1.74 -1.21 -4.89 116.66 110.75 1ni7 n ARG 122 Ca 0.01 -0.69 0.10 0.00 -0.77 0.00 0.00 57.85 56.50 1ni7 n ARG 122 Cb 0.59 0.13 0.68 0.00 -1.02 0.00 0.00 32.46 32.84 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 0.10 1.68 -0.15 7.54 0.00 -1.75 -1.07 119.26 125.62 1ni7 h ALA 123 Ca -0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ni7 h ALA 123 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ni7 h ALA 123 CO -0.10 0.09 -0.04 0.94 0.00 0.00 0.00 179.25 180.14 1ni7 n GLN 124 N -4.16 2.04 -0.94 0.00 -0.06 -1.26 -4.98 117.38 108.01 1ni7 n GLN 124 Ca -0.03 -2.81 -0.35 0.00 -2.00 0.00 0.00 57.00 51.81 1ni7 n GLN 124 Cb 0.16 -1.69 0.07 0.00 -4.06 0.00 0.00 30.24 24.72 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1ni7 n LEU 125 N -1.00 -3.59 -4.43 1.69 -0.00 -0.41 -4.91 117.00 104.35 1ni7 n LEU 125 Ca 0.20 0.26 -0.29 0.00 -0.00 0.00 0.00 56.01 56.19 1ni7 n LEU 125 Cb 0.79 -0.94 0.26 0.00 -0.00 0.00 0.00 43.42 43.53 1ni7 n LEU 125 CO 0.09 -5.02 0.49 -0.55 -0.00 0.00 0.00 177.39 172.39 1ni7 s SER 126 N -1.39 0.20 -0.09 1.45 0.15 -1.26 -4.90 113.70 107.85 1ni7 s SER 126 Ca 0.48 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 58.23 1ni7 s SER 126 Cb -0.21 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1ni7 s SER 126 CO 0.76 -4.63 -0.04 0.00 1.20 0.00 0.00 173.24 170.53 1ni7 h ALA 127 N -2.92 0.00 -0.02 5.45 0.00 -2.00 -3.00 119.26 116.77 1ni7 h ALA 127 Ca -0.53 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1ni7 h ALA 127 Cb 1.34 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1ni7 h ALA 127 CO 0.41 0.12 0.04 1.03 0.00 0.00 0.00 179.25 180.86 1ni7 h SER 128 N -0.85 0.00 0.50 0.00 0.87 -2.02 0.11 113.55 112.15 1ni7 h SER 128 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1ni7 h SER 128 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1ni7 h SER 128 CO 0.00 0.00 -0.81 0.03 -0.53 0.00 0.00 176.83 175.52 1ni7 h ARG 129 N 0.00 0.23 -0.82 2.24 2.47 -1.95 -3.17 114.38 113.39 1ni7 h ARG 129 Ca 0.01 -0.22 0.06 0.00 -1.26 0.00 0.00 59.98 58.56 1ni7 h ARG 129 Cb 0.10 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 1ni7 h ARG 129 CO -0.00 0.92 0.50 1.03 0.56 0.00 0.00 179.97 182.98 1ni7 h SER 130 N 0.14 0.79 -0.76 7.04 0.87 -0.63 -1.44 113.55 119.56 1ni7 h SER 130 Ca -0.04 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.70 1ni7 h SER 130 Cb 1.41 -0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 63.10 1ni7 h SER 130 CO 0.13 0.52 0.22 -0.61 -0.53 0.00 0.00 176.83 176.55 1ni7 h GLN 131 N 0.93 0.30 -0.18 2.24 4.15 -1.53 0.30 115.11 121.32 1ni7 h GLN 131 Ca 0.35 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 1ni7 h GLN 131 Cb 0.14 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1ni7 h GLN 131 CO -0.16 0.20 0.00 0.78 -1.93 0.00 0.00 178.83 177.72 1ni7 h GLY 132 N 0.31 0.34 0.45 2.39 0.00 -1.41 -2.85 103.07 102.30 1ni7 h GLY 132 Ca 0.44 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.58 1ni7 h GLY 132 CO -0.50 0.23 0.08 1.41 0.00 0.00 0.00 176.54 177.76 1ni7 h LEU 133 N 0.07 0.00 -0.42 3.11 -0.00 -0.39 -1.69 115.31 115.99 1ni7 h LEU 133 Ca 0.05 0.08 0.08 0.00 -0.00 0.00 0.00 57.88 58.09 1ni7 h LEU 133 Cb 0.38 0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 41.05 1ni7 h LEU 133 CO 0.01 0.04 -0.34 0.78 -0.00 0.00 0.00 178.44 178.93 1ni7 h ASN 134 N 0.22 -1.12 -0.55 -0.43 2.35 -0.38 -0.34 115.58 115.32 1ni7 h ASN 134 Ca 0.21 0.20 0.08 0.00 -0.55 0.00 0.00 56.30 56.24 1ni7 h ASN 134 Cb 0.27 0.53 -0.10 0.00 0.05 0.00 0.00 38.32 39.06 1ni7 h ASN 134 CO -0.28 -0.32 -0.43 0.00 -1.65 0.00 0.00 177.43 174.74 1ni7 h ALA 135 N 0.76 -0.35 -0.74 -0.83 0.00 -1.09 1.57 119.26 118.58 1ni7 h ALA 135 Ca 0.18 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1ni7 h ALA 135 Cb 0.54 0.95 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 1ni7 h ALA 135 CO -0.56 -0.83 -0.42 -0.07 0.00 0.00 0.00 179.25 177.37 1ni7 h LEU 136 N -0.24 -1.48 -0.06 0.00 3.38 -0.66 0.34 115.31 116.59 1ni7 h LEU 136 Ca 0.17 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ni7 h LEU 136 Cb 0.57 0.71 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ni7 h LEU 136 CO -0.67 -0.31 0.02 -1.28 0.09 0.00 0.00 178.44 176.30 1ni7 h SER 137 N -0.13 0.08 -1.17 -0.43 0.87 -0.01 -2.42 113.55 110.34 1ni7 h SER 137 Ca 0.23 -0.15 0.34 0.00 -1.23 0.00 0.00 61.79 60.99 1ni7 h SER 137 Cb 0.56 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 62.39 1ni7 h SER 137 CO -0.80 0.21 0.76 -0.33 -0.53 0.00 0.00 176.83 176.14 1ni7 h GLU 138 N -0.06 0.23 -0.78 2.24 4.39 0.46 1.51 114.58 122.57 1ni7 h GLU 138 Ca 0.02 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1ni7 h GLU 138 Cb 0.16 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1ni7 h GLU 138 CO -0.00 0.15 0.51 0.00 -1.16 0.00 0.00 179.01 178.52 1ni7 h ALA 139 N 1.60 1.93 -0.09 3.43 0.00 0.07 0.21 119.26 126.41 1ni7 h ALA 139 Ca 0.70 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.42 1ni7 h ALA 139 Cb 2.01 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.70 1ni7 h ALA 139 CO -0.34 -0.12 -0.67 0.82 0.00 0.00 0.00 179.25 178.93 1ni7 h ILE 140 N 0.58 1.33 0.21 0.00 2.04 0.20 -2.62 117.51 119.25 1ni7 h ILE 140 Ca 0.38 -1.96 0.01 0.00 1.00 0.00 0.00 64.86 64.28 1ni7 h ILE 140 Cb 0.66 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1ni7 h ILE 140 CO -0.14 0.60 -0.26 0.40 0.00 0.00 0.00 178.15 178.75 1ni7 h ILE 141 N 0.26 0.43 -0.69 -0.67 1.08 -0.42 0.72 117.51 118.22 1ni7 h ILE 141 Ca -0.06 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.56 1ni7 h ILE 141 Cb 1.33 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 1ni7 h ILE 141 CO 0.14 0.00 0.47 0.00 -0.69 0.00 0.00 178.15 178.07 1ni7 h ALA 142 N 0.15 2.21 -0.06 1.87 0.00 -0.75 0.80 119.26 123.48 1ni7 h ALA 142 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ni7 h ALA 142 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ni7 h ALA 142 CO -0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 179.25 178.63 1ni7 h ALA 143 N 1.67 0.10 -0.38 0.00 0.00 -0.68 -3.03 119.26 116.94 1ni7 h ALA 143 Ca 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ni7 h ALA 143 Cb 0.88 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1ni7 h ALA 143 CO -0.09 -0.02 0.18 1.79 0.00 0.00 0.00 179.25 181.11 1ni7 h THR 144 N -0.31 1.17 -1.06 0.00 1.35 0.23 -1.97 112.91 112.33 1ni7 h THR 144 Ca 0.00 -0.50 0.28 0.00 -0.55 0.00 0.00 66.41 65.64 1ni7 h THR 144 Cb 0.71 0.80 -0.09 0.00 -1.73 0.00 0.00 68.15 67.85 1ni7 h THR 144 CO 0.03 0.19 0.69 0.50 -0.25 0.00 0.00 175.52 176.68 1ni7 h LYS 145 N 0.47 0.31 -0.48 4.72 3.64 0.49 0.94 116.57 126.66 1ni7 h LYS 145 Ca 0.13 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1ni7 h LYS 145 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1ni7 h LYS 145 CO -0.02 0.21 -0.22 1.96 -2.27 0.00 0.00 179.45 179.11 1ni7 h GLN 146 N 0.32 0.99 -0.19 1.90 4.20 -1.23 -0.29 115.11 120.81 1ni7 h GLN 146 Ca 0.59 -0.43 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1ni7 h GLN 146 Cb 1.63 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1ni7 h GLN 146 CO -0.25 1.11 -0.34 0.28 -0.67 0.00 0.00 178.83 178.95 1ni7 h VAL 147 N 0.85 1.33 -0.70 -0.54 2.07 0.77 -3.00 116.25 117.04 1ni7 h VAL 147 Ca 0.11 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1ni7 h VAL 147 Cb 0.80 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1ni7 h VAL 147 CO 0.07 0.48 0.46 -0.07 0.02 0.00 0.00 177.57 178.53 1ni7 h LEU 148 N 0.24 0.80 0.00 2.57 -0.00 0.44 -3.52 115.31 115.84 1ni7 h LEU 148 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1ni7 h LEU 148 Cb 0.93 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1ni7 h LEU 148 CO 0.08 0.57 0.00 1.21 -0.00 0.00 0.00 178.44 180.30