#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 -0.37 2.03 -1.32 -1.26 -5.13 115.64 109.59 1ni7 s THR 2 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1ni7 s THR 2 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 1ni7 s THR 2 CO 0.00 0.00 0.75 0.20 -2.21 0.00 0.00 174.62 173.36 1ni7 s ASN 3 N -2.16 -1.19 -0.28 8.08 0.01 -1.26 -5.13 114.94 113.02 1ni7 s ASN 3 Ca 0.09 -0.49 -0.29 0.00 -0.71 0.00 0.00 52.86 51.45 1ni7 s ASN 3 Cb -0.01 1.55 -0.00 0.00 0.41 0.00 0.00 41.25 43.19 1ni7 s ASN 3 CO -0.05 -0.14 1.34 -2.16 -1.51 0.00 0.00 177.10 174.57 1ni7 s PRO 4 N 2.02 3.93 -0.17 -0.60 0.04 -1.26 -4.98 135.00 133.98 1ni7 s PRO 4 Ca 0.16 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1ni7 s PRO 4 Cb -0.03 -3.89 0.08 0.00 0.04 0.00 0.00 34.50 30.70 1ni7 s PRO 4 CO -0.12 -1.10 0.19 -0.65 0.04 0.00 0.00 177.00 175.36 1ni7 s GLN 5 N 4.17 0.13 -0.26 4.56 -0.21 -1.26 -4.84 119.66 121.95 1ni7 s GLN 5 Ca 0.58 0.26 -0.31 0.00 0.02 0.00 0.00 55.36 55.90 1ni7 s GLN 5 Cb -0.18 -1.06 0.17 0.00 1.00 0.00 0.00 33.01 32.95 1ni7 s GLN 5 CO 0.23 -0.57 1.30 0.12 -2.12 0.00 0.00 175.29 174.25 1ni7 s PHE 6 N 2.29 -0.09 -0.24 0.91 5.36 -1.26 -5.16 117.98 119.80 1ni7 s PHE 6 Ca 0.05 0.13 -0.06 0.00 -0.96 0.00 0.00 56.93 56.08 1ni7 s PHE 6 Cb -0.15 0.49 0.12 0.00 -0.34 0.00 0.00 43.02 43.14 1ni7 s PHE 6 CO -0.10 -0.09 0.48 0.00 -1.46 0.00 0.00 175.22 174.05 1ni7 s ALA 7 N -1.36 -1.44 -0.44 11.12 0.00 -1.26 -5.09 121.76 123.29 1ni7 s ALA 7 Ca 0.08 1.62 0.06 0.00 0.00 0.00 0.00 51.96 53.72 1ni7 s ALA 7 Cb -0.01 -1.56 0.21 0.00 0.00 0.00 0.00 23.12 21.76 1ni7 s ALA 7 CO -0.06 -0.93 0.56 0.41 0.00 0.00 0.00 175.76 175.74 1ni7 n GLY 8 N 5.40 1.47 3.85 0.00 0.00 -1.26 -5.11 105.19 109.54 1ni7 n GLY 8 Ca -0.08 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1ni7 n GLY 8 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ni7 s HIS 9 N -0.03 3.40 -0.72 1.61 3.76 -1.26 -4.95 115.29 117.08 1ni7 s HIS 9 Ca 0.33 1.35 0.24 0.00 -0.15 0.00 0.00 55.06 56.82 1ni7 s HIS 9 Cb 0.10 -2.66 0.91 0.00 1.11 0.00 0.00 32.58 32.04 1ni7 s HIS 9 CO -0.15 -0.12 1.73 -0.35 -0.85 0.00 0.00 174.74 175.00 1ni7 n PRO 10 N -0.93 0.16 -1.84 8.40 -0.04 -1.26 -4.33 135.00 135.16 1ni7 n PRO 10 Ca 0.05 0.26 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 1ni7 n PRO 10 Cb 0.54 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 1ni7 n PRO 10 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ni7 s PHE 11 N -3.15 1.55 0.00 0.54 0.08 -1.26 0.37 117.98 116.12 1ni7 s PHE 11 Ca 0.08 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1ni7 s PHE 11 Cb 0.12 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1ni7 s PHE 11 CO 0.47 -1.30 0.00 0.41 -0.10 0.00 0.00 175.22 174.70 1ni7 n GLY 12 N 6.40 2.58 0.11 4.36 0.00 -0.41 -3.97 105.19 114.26 1ni7 n GLY 12 Ca 0.43 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 1.68 -0.04 2.61 -1.04 -0.68 -4.25 114.28 112.56 1ni7 n THR 13 Ca 0.00 -0.74 -0.05 0.00 -2.04 0.00 0.00 64.05 61.22 1ni7 n THR 13 Cb 0.00 -1.33 -0.05 0.00 -1.82 0.00 0.00 70.33 67.13 1ni7 n THR 13 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ni7 n THR 14 N -3.23 0.51 -3.81 12.58 -1.04 0.16 -4.87 114.28 114.59 1ni7 n THR 14 Ca -0.24 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.05 61.22 1ni7 n THR 14 Cb 1.05 -0.82 -0.13 0.00 -1.82 0.00 0.00 70.33 68.61 1ni7 n THR 14 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ni7 s VAL 15 N -2.18 1.93 0.85 12.58 -7.23 0.24 -4.97 120.40 121.62 1ni7 s VAL 15 Ca -0.08 -2.93 -0.13 0.00 -1.81 0.00 0.00 61.98 57.03 1ni7 s VAL 15 Cb 0.03 -2.34 0.11 0.00 0.56 0.00 0.00 36.38 34.74 1ni7 s VAL 15 CO 0.25 -0.86 1.21 -0.89 -0.31 0.00 0.00 175.10 174.50 1ni7 s THR 16 N 0.02 2.00 0.58 5.32 2.01 -1.26 -1.29 115.64 123.02 1ni7 s THR 16 Ca 0.18 0.00 0.28 0.00 0.31 0.00 0.00 61.69 62.46 1ni7 s THR 16 Cb -0.24 -2.99 0.38 0.00 0.01 0.00 0.00 72.50 69.66 1ni7 s THR 16 CO -0.01 0.00 1.97 0.00 -0.69 0.00 0.00 174.62 175.89 1ni7 h ALA 17 N -1.21 2.14 0.00 7.40 0.00 -1.91 -0.11 119.26 125.57 1ni7 h ALA 17 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ni7 h ALA 17 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ni7 h ALA 17 CO 0.59 -0.60 -0.06 1.49 0.00 0.00 0.00 179.25 180.67 1ni7 h GLU 18 N 0.00 0.00 -1.29 0.00 4.81 -1.95 -3.09 114.58 113.06 1ni7 h GLU 18 Ca 0.19 0.00 0.41 0.00 -0.13 0.00 0.00 59.36 59.83 1ni7 h GLU 18 Cb 0.97 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.23 1ni7 h GLU 18 CO -0.00 0.00 0.84 1.15 -0.73 0.00 0.00 179.01 180.27 1ni7 h THR 19 N -0.79 0.19 0.01 0.32 2.02 -1.78 0.98 112.91 113.86 1ni7 h THR 19 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1ni7 h THR 19 Cb 0.06 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1ni7 h THR 19 CO 0.00 0.02 -0.00 -0.07 0.37 0.00 0.00 175.52 175.84 1ni7 h LEU 20 N 0.13 -0.01 -2.11 2.58 3.38 -1.15 -2.27 115.31 115.86 1ni7 h LEU 20 Ca 0.78 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1ni7 h LEU 20 Cb 2.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.19 1ni7 h LEU 20 CO -0.38 0.28 0.00 0.08 0.09 0.00 0.00 178.44 178.51 1ni7 h ARG 21 N -0.30 0.00 -0.35 1.13 -0.00 0.91 -1.46 114.38 114.32 1ni7 h ARG 21 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.82 1ni7 h ARG 21 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1ni7 h ARG 21 CO 0.00 0.00 -0.41 -0.97 -0.00 0.00 0.00 179.97 178.59 1ni7 h ASN 22 N 0.00 0.96 0.62 0.08 -1.24 -0.05 1.35 115.58 117.30 1ni7 h ASN 22 Ca 0.00 -0.49 -0.19 0.00 0.71 0.00 0.00 56.30 56.34 1ni7 h ASN 22 Cb 0.20 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1ni7 h ASN 22 CO 0.00 1.26 -0.83 0.74 -1.29 0.00 0.00 177.43 177.30 1ni7 h THR 23 N 0.69 1.50 0.00 -3.57 2.02 -1.00 -3.15 112.91 109.41 1ni7 h THR 23 Ca 0.05 -2.59 -0.04 0.00 0.77 0.00 0.00 66.41 64.60 1ni7 h THR 23 Cb 1.01 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1ni7 h THR 23 CO 0.10 0.75 -0.74 -0.26 0.37 0.00 0.00 175.52 175.74 1ni7 h PHE 24 N 0.09 0.00 -0.95 3.16 0.04 -1.25 -3.33 116.94 114.69 1ni7 h PHE 24 Ca -0.03 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.88 1ni7 h PHE 24 Cb 1.45 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.44 1ni7 h PHE 24 CO 0.02 0.14 -0.38 0.00 -0.60 0.00 0.00 178.31 177.50 1ni7 n ALA 25 N -2.20 -0.12 0.02 2.45 0.00 0.46 -0.04 120.51 121.07 1ni7 n ALA 25 Ca -0.00 0.95 -0.19 0.00 0.00 0.00 0.00 53.44 54.20 1ni7 n ALA 25 Cb 0.61 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 0.71 -5.60 0.00 0.13 -1.75 -3.41 132.00 122.09 1ni7 h PRO 26 Ca 0.33 -0.69 -0.23 0.00 -0.87 0.00 0.00 66.00 64.53 1ni7 h PRO 26 Cb 0.57 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1ni7 h PRO 26 CO -0.95 1.28 0.66 -0.51 -0.23 0.00 0.00 178.00 178.25 1ni7 s LEU 27 N -8.25 3.10 0.21 1.56 1.43 0.94 -4.68 118.68 112.98 1ni7 s LEU 27 Ca -0.10 -0.06 0.21 0.00 -1.03 0.00 0.00 54.13 53.15 1ni7 s LEU 27 Cb 0.07 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1ni7 s LEU 27 CO 0.91 -3.15 1.08 0.74 0.23 0.00 0.00 176.35 176.16 1ni7 h THR 28 N 7.43 0.13 -3.37 5.49 2.02 -1.80 -3.45 112.91 119.35 1ni7 h THR 28 Ca -0.03 -1.23 -0.55 0.00 0.77 0.00 0.00 66.41 65.37 1ni7 h THR 28 Cb 1.06 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 69.12 1ni7 h THR 28 CO 1.13 0.07 0.29 -1.10 0.37 0.00 0.00 175.52 176.28 1ni7 s GLN 29 N -3.25 4.48 0.26 6.66 -0.21 -1.26 -4.93 119.66 121.41 1ni7 s GLN 29 Ca 0.00 1.19 -0.02 0.00 0.02 0.00 0.00 55.36 56.55 1ni7 s GLN 29 Cb 0.09 -3.47 0.41 0.00 1.00 0.00 0.00 33.01 31.03 1ni7 s GLN 29 CO 0.78 -0.06 1.87 2.35 -2.12 0.00 0.00 175.29 178.11 1ni7 h TRP 30 N 6.86 1.16 -1.12 0.91 7.01 -1.92 0.67 115.95 129.53 1ni7 h TRP 30 Ca -0.39 0.03 0.31 0.00 2.11 0.00 0.00 58.89 60.95 1ni7 h TRP 30 Cb 1.20 -0.38 -0.09 0.00 -2.10 0.00 0.00 29.16 27.79 1ni7 h TRP 30 CO 0.68 0.58 0.73 0.93 -2.79 0.00 0.00 178.44 178.57 1ni7 h GLU 31 N 1.12 0.27 0.37 2.65 4.39 -1.97 0.87 114.58 122.28 1ni7 h GLU 31 Ca 0.43 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 1ni7 h GLU 31 Cb 0.20 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ni7 h GLU 31 CO -0.18 0.18 -0.18 -0.44 -1.16 0.00 0.00 179.01 177.23 1ni7 h ASP 32 N 0.28 -0.42 -0.09 1.42 3.32 -1.25 0.13 116.42 119.81 1ni7 h ASP 32 Ca 0.63 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.60 1ni7 h ASP 32 Cb 1.82 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 41.43 1ni7 h ASP 32 CO -0.27 0.02 -0.23 0.11 -1.72 0.00 0.00 179.24 177.15 1ni7 h LYS 33 N -1.00 -0.30 -0.80 3.56 6.56 -0.76 1.04 116.57 124.87 1ni7 h LYS 33 Ca -0.05 0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.61 1ni7 h LYS 33 Cb 0.52 0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 32.20 1ni7 h LYS 33 CO 0.08 -0.20 0.52 -0.92 -2.06 0.00 0.00 179.45 176.87 1ni7 h TYR 34 N -0.31 0.91 0.35 -1.35 3.20 0.59 0.44 116.97 120.79 1ni7 h TYR 34 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1ni7 h TYR 34 Cb 0.44 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1ni7 h TYR 34 CO -0.31 0.50 -0.17 0.00 -1.64 0.00 0.00 178.16 176.54 1ni7 h ARG 35 N 0.91 -0.45 -0.98 1.82 2.47 0.79 -3.10 114.38 115.84 1ni7 h ARG 35 Ca 0.33 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 59.18 1ni7 h ARG 35 Cb 0.16 0.10 -0.08 0.00 -1.65 0.00 0.00 29.97 28.50 1ni7 h ARG 35 CO -0.11 -0.14 0.61 0.37 0.56 0.00 0.00 179.97 181.27 1ni7 h GLN 36 N -0.95 1.00 -0.69 0.04 5.75 0.13 -1.19 115.11 119.20 1ni7 h GLN 36 Ca -0.05 -0.06 0.15 0.00 -0.15 0.00 0.00 58.65 58.54 1ni7 h GLN 36 Cb 0.52 -0.23 -0.12 0.00 1.07 0.00 0.00 27.48 28.73 1ni7 h GLN 36 CO 0.08 0.66 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.81 1ni7 h LEU 37 N 1.03 -0.39 -1.22 -2.39 3.38 -0.12 1.00 115.31 116.60 1ni7 h LEU 37 Ca 0.46 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.74 1ni7 h LEU 37 Cb 0.35 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1ni7 h LEU 37 CO -0.23 -0.17 0.58 0.40 0.09 0.00 0.00 178.44 179.12 1ni7 h ILE 38 N 0.08 0.88 0.00 1.22 2.04 -1.14 0.31 117.51 120.91 1ni7 h ILE 38 Ca 0.36 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 1ni7 h ILE 38 Cb 0.60 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ni7 h ILE 38 CO -0.62 0.14 -0.42 0.24 0.00 0.00 0.00 178.15 177.49 1ni7 h MET 39 N 0.79 0.00 0.00 2.37 2.86 0.93 -2.78 114.93 119.10 1ni7 h MET 39 Ca 0.45 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1ni7 h MET 39 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ni7 h MET 39 CO -0.21 0.42 -0.01 -0.07 1.06 0.00 0.00 176.91 178.10 1ni7 h LEU 40 N 0.00 0.00 0.05 1.22 3.38 0.32 -1.92 115.31 118.36 1ni7 h LEU 40 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1ni7 h LEU 40 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ni7 h LEU 40 CO 0.05 0.01 -0.48 1.23 0.09 0.00 0.00 178.44 179.34 1ni7 h GLY 41 N 0.15 0.27 -0.45 0.83 0.00 -1.34 -3.26 103.07 99.26 1ni7 h GLY 41 Ca -0.00 -0.57 0.31 0.00 0.00 0.00 0.00 47.33 47.06 1ni7 h GLY 41 CO 0.00 0.51 0.60 0.50 0.00 0.00 0.00 176.54 178.15 1ni7 h LYS 42 N -0.44 0.36 -0.22 4.80 1.57 -1.41 0.63 116.57 121.85 1ni7 h LYS 42 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ni7 h LYS 42 Cb 1.29 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1ni7 h LYS 42 CO 0.09 0.24 0.15 1.96 -0.57 0.00 0.00 179.45 181.32 1ni7 h GLN 43 N 0.37 0.29 -6.47 3.15 4.20 -1.58 -3.42 115.11 111.65 1ni7 h GLN 43 Ca 0.71 -0.02 -0.61 0.00 0.06 0.00 0.00 58.65 58.80 1ni7 h GLN 43 Cb 1.62 -0.07 0.07 0.00 0.30 0.00 0.00 27.48 29.40 1ni7 h GLN 43 CO -0.55 0.19 0.65 -0.11 -0.67 0.00 0.00 178.83 178.34 1ni7 n LEU 44 N -4.93 2.71 -4.80 1.46 7.94 0.22 -4.95 117.00 114.65 1ni7 n LEU 44 Ca -0.03 1.11 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 1ni7 n LEU 44 Cb 0.03 -1.37 0.10 0.00 0.53 0.00 0.00 43.42 42.71 1ni7 n LEU 44 CO 0.34 -0.56 0.71 -2.16 -1.11 0.00 0.00 177.39 174.61 1ni7 s PRO 45 N 0.38 1.93 -0.30 1.96 0.04 -1.26 -4.96 135.00 132.80 1ni7 s PRO 45 Ca 0.77 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1ni7 s PRO 45 Cb -0.73 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1ni7 s PRO 45 CO 0.44 -1.71 1.51 0.00 0.04 0.00 0.00 177.00 177.28 1ni7 s ALA 46 N -3.17 3.19 -0.00 8.56 0.00 -1.26 -4.95 121.76 124.13 1ni7 s ALA 46 Ca 0.61 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1ni7 s ALA 46 Cb -0.14 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 1ni7 s ALA 46 CO 0.54 -2.10 1.55 -1.17 0.00 0.00 0.00 175.76 174.59 1ni7 s LEU 47 N 5.27 4.33 0.67 0.00 2.96 -1.26 -4.98 118.68 125.67 1ni7 s LEU 47 Ca 0.66 2.25 -0.12 0.00 -0.22 0.00 0.00 54.13 56.71 1ni7 s LEU 47 Cb -0.20 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1ni7 s LEU 47 CO 0.29 -0.84 1.06 -2.16 -1.32 0.00 0.00 176.35 173.38 1ni7 s PRO 48 N 3.01 3.03 0.23 0.98 0.04 -1.26 -4.88 135.00 136.15 1ni7 s PRO 48 Ca 0.70 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 1ni7 s PRO 48 Cb -0.34 -2.00 0.21 0.00 0.04 0.00 0.00 34.50 32.41 1ni7 s PRO 48 CO 0.29 -1.03 1.74 0.22 0.04 0.00 0.00 177.00 178.26 1ni7 h ASP 49 N -0.48 0.96 -0.78 6.66 3.58 -1.98 0.87 116.42 125.26 1ni7 h ASP 49 Ca -0.44 -0.21 0.06 0.00 0.42 0.00 0.00 57.03 56.85 1ni7 h ASP 49 Cb 1.21 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.95 1ni7 h ASP 49 CO 0.57 0.95 0.47 -0.08 -2.88 0.00 0.00 179.24 178.27 1ni7 h GLU 50 N 0.96 0.85 -0.04 0.28 4.57 -1.95 -0.85 114.58 118.40 1ni7 h GLU 50 Ca 0.20 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.15 1ni7 h GLU 50 Cb 0.38 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ni7 h GLU 50 CO 0.01 0.56 -0.76 -0.07 -1.18 0.00 0.00 179.01 177.57 1ni7 h LEU 51 N 0.88 0.34 -0.93 1.64 -0.00 -1.78 -3.07 115.31 112.39 1ni7 h LEU 51 Ca 0.34 -0.24 0.09 0.00 -0.00 0.00 0.00 57.88 58.07 1ni7 h LEU 51 Cb 0.15 -0.10 -0.07 0.00 -0.00 0.00 0.00 40.66 40.64 1ni7 h LEU 51 CO -0.17 0.98 0.58 0.11 -0.00 0.00 0.00 178.44 179.94 1ni7 h LYS 52 N 0.18 0.96 0.00 1.13 1.57 0.47 0.65 116.57 121.54 1ni7 h LYS 52 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ni7 h LYS 52 Cb 1.34 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1ni7 h LYS 52 CO 0.12 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1ni7 h ALA 53 N 1.47 1.00 -0.43 3.86 0.00 -1.14 -1.24 119.26 122.78 1ni7 h ALA 53 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ni7 h ALA 53 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ni7 h ALA 53 CO -0.22 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.07 1ni7 n GLN 54 N -2.67 3.26 -2.33 0.00 3.00 0.22 -4.89 117.38 113.97 1ni7 n GLN 54 Ca 0.01 -2.08 -0.03 0.00 -0.01 0.00 0.00 57.00 54.88 1ni7 n GLN 54 Cb 0.24 -1.85 -0.01 0.00 0.00 0.00 0.00 30.24 28.62 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 0.60 0.09 -2.39 -1.58 0.00 -0.47 -4.57 120.51 112.19 1ni7 n ALA 55 Ca 0.19 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1ni7 n ALA 55 Cb 0.77 0.20 -0.13 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.21 1.48 -0.29 0.00 1.02 0.57 -4.88 119.74 115.42 1ni7 s LYS 56 Ca 0.04 -1.31 -0.24 0.00 0.02 0.00 0.00 55.97 54.48 1ni7 s LYS 56 Cb 0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1ni7 s LYS 56 CO 0.03 0.46 0.82 -1.21 -0.92 0.00 0.00 175.35 174.52 1ni7 s GLU 57 N -1.94 4.02 0.44 1.68 2.02 -1.26 -1.84 118.70 121.82 1ni7 s GLU 57 Ca 0.14 0.70 -0.06 0.00 0.02 0.00 0.00 54.97 55.77 1ni7 s GLU 57 Cb -0.10 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 1ni7 s GLU 57 CO 0.06 -0.65 0.75 0.42 0.02 0.00 0.00 175.26 175.85 1ni7 s ILE 58 N 2.98 4.91 -0.29 -1.63 -1.09 0.22 -4.94 121.20 121.35 1ni7 s ILE 58 Ca 0.34 0.23 0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1ni7 s ILE 58 Cb -0.14 -3.82 0.20 0.00 -1.58 0.00 0.00 42.46 37.11 1ni7 s ILE 58 CO 0.11 -0.71 0.59 0.00 -1.23 0.00 0.00 174.94 173.70 1ni7 s ALA 59 N -2.57 -2.33 0.00 9.38 0.00 -1.26 -3.57 121.76 121.40 1ni7 s ALA 59 Ca 0.47 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1ni7 s ALA 59 Cb -0.10 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1ni7 s ALA 59 CO 0.40 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.85 1ni7 n GLY 60 N 5.42 0.90 3.75 0.00 0.00 -1.26 -5.11 105.19 108.89 1ni7 n GLY 60 Ca 0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.21 -0.01 -3.84 0.00 1.02 -1.26 -4.59 120.64 107.76 1ni7 n GLU 62 Ca 0.13 1.05 -0.06 0.00 -0.02 0.00 0.00 57.16 58.26 1ni7 n GLU 62 Cb 0.59 -2.32 0.01 0.00 -0.02 0.00 0.00 31.44 29.70 1ni7 n GLU 62 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ni7 s ASN 63 N -3.98 -0.03 0.41 1.62 0.01 -1.26 -5.06 114.94 106.65 1ni7 s ASN 63 Ca -0.05 -0.83 -0.25 0.00 -0.71 0.00 0.00 52.86 51.03 1ni7 s ASN 63 Cb 0.26 0.65 -0.11 0.00 0.41 0.00 0.00 41.25 42.46 1ni7 s ASN 63 CO 0.81 -1.28 1.05 -2.11 -1.51 0.00 0.00 177.10 174.06 1ni7 n ARG 64 N -0.60 1.43 -3.81 -0.60 1.85 -1.26 -4.66 116.66 109.02 1ni7 n ARG 64 Ca -0.05 0.51 -0.16 0.00 -1.00 0.00 0.00 57.85 57.15 1ni7 n ARG 64 Cb 0.60 -2.08 -0.16 0.00 -1.05 0.00 0.00 32.46 29.77 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ni7 s VAL 65 N -1.25 0.00 -0.22 8.89 1.01 -1.23 -3.79 120.40 123.81 1ni7 s VAL 65 Ca 0.63 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1ni7 s VAL 65 Cb -0.56 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1ni7 s VAL 65 CO 0.57 0.11 0.23 0.26 0.00 0.00 0.00 175.10 176.27 1ni7 s TRP 66 N 1.11 3.35 -0.02 5.22 0.51 -1.16 0.69 118.94 128.64 1ni7 s TRP 66 Ca -0.09 0.37 -0.05 0.00 -2.12 0.00 0.00 56.10 54.21 1ni7 s TRP 66 Cb -0.13 -2.33 0.01 0.00 -0.81 0.00 0.00 33.47 30.21 1ni7 s TRP 66 CO -0.03 0.09 0.12 -1.17 -0.51 0.00 0.00 176.95 175.45 1ni7 s LEU 67 N 0.99 1.59 0.14 2.99 0.20 -0.76 -0.98 118.68 122.84 1ni7 s LEU 67 Ca 0.11 0.03 -0.23 0.00 0.69 0.00 0.00 54.13 54.73 1ni7 s LEU 67 Cb -0.13 0.49 0.06 0.00 -0.43 0.00 0.00 46.19 46.18 1ni7 s LEU 67 CO 0.04 -0.18 0.57 -0.83 -0.29 0.00 0.00 176.35 175.67 1ni7 s GLY 68 N -0.58 -0.56 0.05 7.98 0.00 -1.23 0.21 107.32 113.19 1ni7 s GLY 68 Ca -0.07 0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.86 1ni7 s GLY 68 CO 0.01 0.16 0.94 -2.52 0.00 0.00 0.00 173.10 171.68 1ni7 s TYR 69 N -3.52 -0.24 -0.01 1.90 -0.85 -1.26 -0.90 117.35 112.46 1ni7 s TYR 69 Ca 0.00 0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.59 1ni7 s TYR 69 Cb -0.01 0.58 0.01 0.00 0.38 0.00 0.00 41.96 42.92 1ni7 s TYR 69 CO -0.11 -0.64 0.03 0.95 -1.52 0.00 0.00 175.55 174.26 1ni7 s THR 70 N -3.14 -0.01 -0.19 -3.49 -4.23 -1.14 -4.95 115.64 98.50 1ni7 s THR 70 Ca 0.08 0.03 -0.27 0.00 -1.18 0.00 0.00 61.69 60.35 1ni7 s THR 70 Cb -0.01 -0.05 -0.01 0.00 1.34 0.00 0.00 72.50 73.77 1ni7 s THR 70 CO -0.04 0.01 0.92 -0.69 -0.54 0.00 0.00 174.62 174.28 1ni7 s VAL 71 N 0.16 4.80 1.17 2.29 1.01 -1.26 -2.81 120.40 125.76 1ni7 s VAL 71 Ca -0.01 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 1ni7 s VAL 71 Cb -0.02 -4.21 0.30 0.00 0.00 0.00 0.00 36.38 32.44 1ni7 s VAL 71 CO -0.00 -0.05 0.85 0.00 0.00 0.00 0.00 175.10 175.90 1ni7 n ALA 72 N 5.63 -3.75 -0.05 5.51 0.00 -0.83 -4.81 120.51 122.21 1ni7 n ALA 72 Ca 0.08 -1.37 -0.03 0.00 0.00 0.00 0.00 53.44 52.11 1ni7 n ALA 72 Cb 0.48 -0.11 0.21 0.00 0.00 0.00 0.00 19.45 20.03 1ni7 n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ni7 h GLU 73 N 0.00 0.65 0.00 0.00 5.08 -1.96 -2.68 114.58 115.68 1ni7 h GLU 73 Ca -0.35 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 57.59 1ni7 h GLU 73 Cb 1.12 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1ni7 h GLU 73 CO 0.22 0.71 -1.37 -2.95 -1.00 0.00 0.00 179.01 174.62 1ni7 h ASN 74 N 0.61 0.00 0.00 1.42 -1.07 -2.03 -3.48 115.58 111.04 1ni7 h ASN 74 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.49 1ni7 h ASN 74 Cb 0.45 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.70 1ni7 h ASN 74 CO 0.02 0.94 0.00 0.61 0.07 0.00 0.00 177.43 179.07 1ni7 n GLY 75 N 1.45 1.24 3.44 9.14 0.00 -1.01 -5.07 105.19 114.38 1ni7 n GLY 75 Ca -0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.32 -2.71 1.61 5.02 -1.26 -3.77 118.16 117.37 1ni7 n LYS 76 Ca 0.00 0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1ni7 n LYS 76 Cb 0.00 -1.93 -0.02 0.00 -0.02 0.00 0.00 35.03 33.06 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 7.74 3.73 -0.07 1.97 -1.94 -1.01 -1.96 119.30 127.77 1ni7 s MET 77 Ca 1.23 0.47 -0.02 0.00 -1.71 0.00 0.00 55.69 55.66 1ni7 s MET 77 Cb -1.10 -2.35 0.04 0.00 2.01 0.00 0.00 34.83 33.43 1ni7 s MET 77 CO 0.50 -0.12 0.06 -1.58 -0.01 0.00 0.00 175.02 173.86 1ni7 s HIS 78 N -2.52 0.17 0.08 -0.03 2.46 -1.13 -4.24 115.29 110.08 1ni7 s HIS 78 Ca 0.51 0.10 0.02 0.00 0.47 0.00 0.00 55.06 56.16 1ni7 s HIS 78 Cb -0.10 -0.56 -0.04 0.00 -0.13 0.00 0.00 32.58 31.75 1ni7 s HIS 78 CO 0.35 -0.27 0.17 -0.06 -2.47 0.00 0.00 174.74 172.47 1ni7 s PHE 79 N 2.14 3.39 -0.30 3.88 0.40 -1.26 -2.87 117.98 123.35 1ni7 s PHE 79 Ca 0.04 0.16 -0.09 0.00 -0.60 0.00 0.00 56.93 56.44 1ni7 s PHE 79 Cb -0.13 -1.69 0.17 0.00 0.51 0.00 0.00 43.02 41.88 1ni7 s PHE 79 CO -0.04 0.56 0.84 -0.59 0.70 0.00 0.00 175.22 176.68 1ni7 s PHE 80 N -1.51 -1.02 0.00 0.36 -0.71 -0.08 -4.99 117.98 110.03 1ni7 s PHE 80 Ca 0.33 1.32 0.00 0.00 -1.04 0.00 0.00 56.93 57.54 1ni7 s PHE 80 Cb -0.12 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1ni7 s PHE 80 CO 0.26 -0.54 0.00 0.41 -1.34 0.00 0.00 175.22 174.01 1ni7 n GLY 81 N 5.33 4.58 0.15 1.99 0.00 -1.26 -3.56 105.19 112.43 1ni7 n GLY 81 Ca -0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.08 -3.57 1.61 5.75 -0.15 -4.87 116.55 115.24 1ni7 n ASP 82 Ca 0.00 -1.05 -0.14 0.00 -0.01 0.00 0.00 54.79 53.59 1ni7 n ASP 82 Cb 0.00 0.14 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.09 -0.45 0.04 -1.12 0.15 -1.26 -2.97 113.70 107.00 1ni7 s SER 83 Ca 0.01 0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 1ni7 s SER 83 Cb -0.00 0.49 -0.31 0.00 -1.71 0.00 0.00 66.02 64.49 1ni7 s SER 83 CO 0.00 -0.71 1.03 -0.08 1.20 0.00 0.00 173.24 174.69 1ni7 h GLU 84 N 2.82 0.38 -7.34 5.44 4.22 -1.91 -3.46 114.58 114.72 1ni7 h GLU 84 Ca -0.31 -0.64 -0.46 0.00 0.08 0.00 0.00 59.36 58.03 1ni7 h GLU 84 Cb 1.21 0.24 0.10 0.00 0.50 0.00 0.00 28.75 30.80 1ni7 h GLU 84 CO 0.41 1.30 0.21 0.20 -2.18 0.00 0.00 179.01 178.95 1ni7 s GLY 85 N -4.69 1.76 -0.15 1.92 0.00 -1.26 -5.04 107.32 99.86 1ni7 s GLY 85 Ca -0.07 -1.43 -0.10 0.00 0.00 0.00 0.00 44.72 43.12 1ni7 s GLY 85 CO 0.90 -0.84 -0.08 3.21 0.00 0.00 0.00 173.10 176.30 1ni7 h ARG 86 N -0.84 0.00 -0.16 2.90 3.08 -1.91 -3.21 114.38 114.24 1ni7 h ARG 86 Ca -0.40 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.67 1ni7 h ARG 86 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1ni7 h ARG 86 CO 0.43 0.17 -0.20 0.82 -1.07 0.00 0.00 179.97 180.12 1ni7 h ILE 87 N -1.00 0.00 -1.08 2.04 1.08 -1.88 0.52 117.51 117.18 1ni7 h ILE 87 Ca -0.05 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.72 1ni7 h ILE 87 Cb 0.57 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.22 1ni7 h ILE 87 CO -0.03 0.00 0.69 0.58 -0.69 0.00 0.00 178.15 178.70 1ni7 h VAL 88 N -0.13 0.44 -0.13 1.67 2.07 -1.95 0.35 116.25 118.56 1ni7 h VAL 88 Ca 0.03 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1ni7 h VAL 88 Cb 0.21 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 1ni7 h VAL 88 CO -0.22 0.06 -0.13 -0.09 0.02 0.00 0.00 177.57 177.20 1ni7 h ARG 89 N 0.35 -0.16 0.05 1.57 2.43 -0.05 -0.16 114.38 118.42 1ni7 h ARG 89 Ca 0.64 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1ni7 h ARG 89 Cb 1.68 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1ni7 h ARG 89 CO -0.34 -0.10 -0.03 0.78 -1.51 0.00 0.00 179.97 178.77 1ni7 h GLY 90 N -0.16 -0.08 -0.44 2.80 0.00 0.14 -2.94 103.07 102.39 1ni7 h GLY 90 Ca 0.09 0.03 0.22 0.00 0.00 0.00 0.00 47.33 47.67 1ni7 h GLY 90 CO -0.23 -0.03 0.20 1.41 0.00 0.00 0.00 176.54 177.89 1ni7 h LEU 91 N -0.35 -0.06 0.19 3.11 3.38 -0.80 0.13 115.31 120.92 1ni7 h LEU 91 Ca -0.01 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ni7 h LEU 91 Cb 0.31 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1ni7 h LEU 91 CO 0.01 -0.16 -0.48 0.25 0.09 0.00 0.00 178.44 178.16 1ni7 h LEU 92 N 0.19 -1.39 -0.53 1.67 5.85 -0.86 -1.22 115.31 119.03 1ni7 h LEU 92 Ca 0.53 0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.44 1ni7 h LEU 92 Cb 1.05 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.52 1ni7 h LEU 92 CO -0.66 -0.55 -0.34 0.00 -0.34 0.00 0.00 178.44 176.55 1ni7 h ALA 93 N -0.43 -0.36 -0.91 1.25 0.00 -0.63 0.54 119.26 118.71 1ni7 h ALA 93 Ca -0.00 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1ni7 h ALA 93 Cb 0.75 1.18 -0.16 0.00 0.00 0.00 0.00 17.79 19.55 1ni7 h ALA 93 CO -0.23 -0.59 -0.30 0.28 0.00 0.00 0.00 179.25 178.42 1ni7 h VAL 94 N -0.03 0.06 0.07 0.00 2.07 -1.06 1.12 116.25 118.47 1ni7 h VAL 94 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1ni7 h VAL 94 Cb 0.25 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 1ni7 h VAL 94 CO -0.51 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 176.98 1ni7 h LEU 95 N -0.02 -1.01 -1.96 2.57 6.46 0.11 0.97 115.31 122.42 1ni7 h LEU 95 Ca 0.39 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 58.36 1ni7 h LEU 95 Cb 0.64 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 1ni7 h LEU 95 CO -0.94 -0.42 0.24 -0.07 -0.62 0.00 0.00 178.44 176.64 1ni7 h LEU 96 N -0.54 0.04 -0.34 2.25 4.07 0.37 0.29 115.31 121.45 1ni7 h LEU 96 Ca 0.04 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.82 1ni7 h LEU 96 Cb 0.59 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1ni7 h LEU 96 CO -0.24 0.02 -0.84 0.74 -1.08 0.00 0.00 178.44 177.05 1ni7 h THR 97 N 0.04 1.50 -0.01 0.22 2.02 0.40 -3.11 112.91 113.97 1ni7 h THR 97 Ca 0.16 -2.59 -0.19 0.00 0.77 0.00 0.00 66.41 64.56 1ni7 h THR 97 Cb 0.59 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 1ni7 h THR 97 CO -0.01 0.75 -0.82 0.00 0.37 0.00 0.00 175.52 175.81 1ni7 h ALA 98 N 1.05 0.59 -0.62 6.16 0.00 0.41 -3.00 119.26 123.85 1ni7 h ALA 98 Ca -0.03 -0.69 -0.35 0.00 0.00 0.00 0.00 54.91 53.84 1ni7 h ALA 98 Cb 1.45 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.97 1ni7 h ALA 98 CO 0.12 0.88 0.45 1.33 0.00 0.00 0.00 179.25 182.03 1ni7 n VAL 99 N -3.70 2.55 -1.54 0.00 0.24 0.65 -4.86 118.33 111.67 1ni7 n VAL 99 Ca -0.03 -1.42 -0.35 0.00 -2.04 0.00 0.00 64.34 60.50 1ni7 n VAL 99 Cb 0.77 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.36 0.76 -4.30 7.34 2.13 -1.13 -2.56 120.64 122.52 1ni7 n GLU 100 Ca 0.37 -0.07 -0.34 0.00 0.66 0.00 0.00 57.16 57.78 1ni7 n GLU 100 Cb 1.04 -3.01 -0.09 0.00 0.27 0.00 0.00 31.44 29.66 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ni7 n GLY 101 N 6.16 -0.23 3.95 8.31 0.00 -1.26 -4.90 105.19 117.22 1ni7 n GLY 101 Ca 0.45 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 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 -7.05 3.25 0.16 1.61 1.02 -1.06 -4.73 119.74 112.94 1ni7 s LYS 102 Ca 0.36 -0.50 0.03 0.00 0.02 0.00 0.00 55.97 55.88 1ni7 s LYS 102 Cb -0.21 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1ni7 s LYS 102 CO 0.96 -0.04 0.24 0.95 -0.92 0.00 0.00 175.35 176.54 1ni7 s THR 103 N -2.40 5.06 0.19 2.17 -4.23 -1.26 -2.40 115.64 112.77 1ni7 s THR 103 Ca 0.44 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.94 1ni7 s THR 103 Cb -0.10 -3.60 0.14 0.00 1.34 0.00 0.00 72.50 70.28 1ni7 s THR 103 CO 0.36 -0.10 1.60 0.00 -0.54 0.00 0.00 174.62 175.94 1ni7 h ALA 104 N 2.21 0.03 -0.00 3.99 0.00 -1.96 0.50 119.26 124.03 1ni7 h ALA 104 Ca -0.48 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ni7 h ALA 104 Cb 1.20 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1ni7 h ALA 104 CO 0.67 -0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.17 1ni7 h ALA 105 N 1.09 -0.59 -0.88 0.00 0.00 -1.95 -0.08 119.26 116.86 1ni7 h ALA 105 Ca 0.24 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.36 1ni7 h ALA 105 Cb 0.53 0.61 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1ni7 h ALA 105 CO -0.65 -0.62 0.12 0.93 0.00 0.00 0.00 179.25 179.03 1ni7 h GLU 106 N -0.14 0.12 -0.94 0.00 4.39 -1.77 1.22 114.58 117.46 1ni7 h GLU 106 Ca 0.00 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.87 1ni7 h GLU 106 Cb 0.16 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.68 1ni7 h GLU 106 CO -0.08 0.08 0.53 -0.07 -1.16 0.00 0.00 179.01 178.31 1ni7 h LEU 107 N 0.12 0.67 -0.72 1.33 3.38 0.11 0.62 115.31 120.82 1ni7 h LEU 107 Ca 0.53 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.48 1ni7 h LEU 107 Cb 1.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1ni7 h LEU 107 CO -0.73 0.25 -0.57 1.56 0.09 0.00 0.00 178.44 179.04 1ni7 h GLN 108 N 0.70 0.00 0.00 1.13 4.20 0.32 -2.63 115.11 118.83 1ni7 h GLN 108 Ca 0.53 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.20 1ni7 h GLN 108 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1ni7 h GLN 108 CO -0.37 0.57 -0.20 0.00 -0.67 0.00 0.00 178.83 178.16 1ni7 h ALA 109 N 1.43 0.97 -1.39 3.87 0.00 0.23 -3.41 119.26 120.95 1ni7 h ALA 109 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ni7 h ALA 109 Cb 1.10 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.62 1ni7 h ALA 109 CO 0.07 0.24 -0.35 -1.14 0.00 0.00 0.00 179.25 178.08 1ni7 s GLN 110 N -3.50 0.48 0.54 0.00 0.74 0.84 -5.07 119.66 113.68 1ni7 s GLN 110 Ca 0.02 0.83 -0.18 0.00 0.05 0.00 0.00 55.36 56.08 1ni7 s GLN 110 Cb 0.09 0.15 -0.06 0.00 1.10 0.00 0.00 33.01 34.29 1ni7 s GLN 110 CO 0.64 -0.62 1.04 -1.12 -0.55 0.00 0.00 175.29 174.69 1ni7 s SER 111 N 2.73 6.12 0.00 6.67 0.01 -1.14 -4.42 113.70 123.67 1ni7 s SER 111 Ca 0.17 1.84 0.23 0.00 1.31 0.00 0.00 55.95 59.50 1ni7 s SER 111 Cb -0.15 -2.54 1.36 0.00 0.21 0.00 0.00 66.02 64.90 1ni7 s SER 111 CO -0.19 -0.93 1.75 -0.81 0.41 0.00 0.00 173.24 173.46 1ni7 n PRO 112 N -1.50 0.75 0.20 12.44 -0.04 -1.26 -2.69 135.00 142.90 1ni7 n PRO 112 Ca 0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1ni7 n PRO 112 Cb 0.53 -1.47 0.37 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.79 1.53 3.38 -1.95 -3.19 115.31 115.86 1ni7 h LEU 113 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ni7 h LEU 113 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ni7 h LEU 113 CO 0.00 0.31 -0.38 0.00 0.09 0.00 0.00 178.44 178.47 1ni7 h ALA 114 N 1.69 -1.06 -0.89 1.53 0.00 -1.91 -2.31 119.26 116.31 1ni7 h ALA 114 Ca -0.00 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1ni7 h ALA 114 Cb 0.85 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1ni7 h ALA 114 CO 0.04 -1.06 -0.53 -0.11 0.00 0.00 0.00 179.25 177.60 1ni7 n LEU 115 N -5.52 -0.95 -0.25 0.00 0.00 -1.21 0.20 117.00 109.27 1ni7 n LEU 115 Ca -0.14 1.69 -0.00 0.00 0.00 0.00 0.00 56.01 57.55 1ni7 n LEU 115 Cb 0.43 -0.26 0.06 0.00 0.00 0.00 0.00 43.42 43.65 1ni7 n LEU 115 CO 0.37 -1.34 0.68 -0.26 0.00 0.00 0.00 177.39 176.84 1ni7 h PHE 116 N 0.00 -0.59 0.22 1.96 0.04 -1.60 0.57 116.94 117.54 1ni7 h PHE 116 Ca 0.14 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 1ni7 h PHE 116 Cb 0.37 0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1ni7 h PHE 116 CO -1.01 -0.35 -0.11 0.22 -0.60 0.00 0.00 178.31 176.46 1ni7 h ASP 117 N -0.05 -0.25 -0.44 2.17 1.82 0.40 0.84 116.42 120.92 1ni7 h ASP 117 Ca 0.33 -0.14 0.07 0.00 -0.39 0.00 0.00 57.03 56.89 1ni7 h ASP 117 Cb 0.56 0.06 -0.09 0.00 0.68 0.00 0.00 39.33 40.54 1ni7 h ASP 117 CO -0.76 -0.00 -0.45 -0.33 -1.61 0.00 0.00 179.24 176.09 1ni7 h GLU 118 N -0.50 -0.31 -0.10 0.28 4.39 0.40 0.54 114.58 119.28 1ni7 h GLU 118 Ca -0.03 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1ni7 h GLU 118 Cb 0.38 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1ni7 h GLU 118 CO 0.05 -0.21 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.59 1ni7 h LEU 119 N -0.32 0.12 -0.31 1.33 3.38 0.09 -3.46 115.31 116.14 1ni7 h LEU 119 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ni7 h LEU 119 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ni7 h LEU 119 CO -0.60 0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1ni7 n GLY 120 N -1.24 1.07 0.01 0.83 0.00 0.19 -5.04 105.19 101.01 1ni7 n GLY 120 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.00 -2.29 0.99 3.38 0.33 -3.37 115.31 114.35 1ni7 h LEU 121 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ni7 h LEU 121 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1ni7 h LEU 121 CO 0.00 0.09 0.12 0.54 0.09 0.00 0.00 178.44 179.28 1ni7 n ARG 122 N -2.51 1.83 0.25 1.13 3.00 -1.24 -4.09 116.66 115.03 1ni7 n ARG 122 Ca -0.01 -1.03 0.11 0.00 -0.01 0.00 0.00 57.85 56.92 1ni7 n ARG 122 Cb 0.02 -1.56 0.68 0.00 0.00 0.00 0.00 32.46 31.60 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ni7 h ALA 123 N 2.13 1.40 -0.37 7.54 0.00 -1.80 -1.09 119.26 127.07 1ni7 h ALA 123 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ni7 h ALA 123 Cb 1.34 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1ni7 h ALA 123 CO 0.28 0.17 0.03 0.94 0.00 0.00 0.00 179.25 180.66 1ni7 n GLN 124 N -3.82 2.69 0.00 0.00 -0.06 -1.26 -5.01 117.38 109.91 1ni7 n GLN 124 Ca -0.02 -2.98 0.00 0.00 -2.00 0.00 0.00 57.00 52.00 1ni7 n GLN 124 Cb 0.23 -1.90 0.00 0.00 -4.06 0.00 0.00 30.24 24.52 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 -0.67 0.00 -3.79 1.69 -0.00 -0.41 -5.07 117.00 108.76 1ni7 n LEU 125 Ca 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.25 1ni7 n LEU 125 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.43 1ni7 n LEU 125 CO 0.21 -1.19 0.66 -0.44 -0.00 0.00 0.00 177.39 176.64 1ni7 s SER 126 N -1.87 -0.19 0.32 1.45 0.01 -1.26 -4.98 113.70 107.18 1ni7 s SER 126 Ca 0.00 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 56.86 1ni7 s SER 126 Cb 0.00 0.55 0.92 0.00 0.21 0.00 0.00 66.02 67.70 1ni7 s SER 126 CO 0.00 -1.03 1.59 0.00 0.41 0.00 0.00 173.24 174.21 1ni7 h ALA 127 N 2.00 1.49 -0.28 1.44 0.00 -1.97 1.50 119.26 123.44 1ni7 h ALA 127 Ca -0.23 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ni7 h ALA 127 Cb 1.24 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ni7 h ALA 127 CO 0.25 -0.66 0.00 0.45 0.00 0.00 0.00 179.25 179.29 1ni7 n SER 128 N -5.36 0.00 -0.21 0.00 2.88 -1.26 -1.42 113.62 108.25 1ni7 n SER 128 Ca 0.27 0.95 0.02 0.00 -1.33 0.00 0.00 58.87 58.78 1ni7 n SER 128 Cb 0.90 -0.45 0.12 0.00 -0.75 0.00 0.00 64.21 64.02 1ni7 n SER 128 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ni7 h ARG 129 N 0.00 0.26 -0.41 -1.46 2.47 -1.54 -2.20 114.38 111.50 1ni7 h ARG 129 Ca 0.00 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1ni7 h ARG 129 Cb 0.00 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.20 1ni7 h ARG 129 CO 0.00 0.17 -0.34 1.03 0.56 0.00 0.00 179.97 181.38 1ni7 h SER 130 N 0.26 -1.21 -0.26 7.04 0.87 0.21 1.72 113.55 122.18 1ni7 h SER 130 Ca 0.33 0.17 0.08 0.00 -1.23 0.00 0.00 61.79 61.14 1ni7 h SER 130 Cb 0.51 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 1ni7 h SER 130 CO -0.42 -0.19 0.38 1.56 -0.53 0.00 0.00 176.83 177.63 1ni7 h GLN 131 N -0.13 0.00 0.00 2.24 7.50 -0.66 0.11 115.11 124.17 1ni7 h GLN 131 Ca 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 1ni7 h GLN 131 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 1ni7 h GLN 131 CO -0.46 0.00 -0.04 0.78 -1.50 0.00 0.00 178.83 177.62 1ni7 h GLY 132 N 0.00 0.00 0.75 3.46 0.00 0.25 -2.60 103.07 104.93 1ni7 h GLY 132 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.55 1ni7 h GLY 132 CO -0.00 0.00 0.57 1.41 0.00 0.00 0.00 176.54 178.51 1ni7 h LEU 133 N -1.00 0.78 0.50 3.11 -0.00 0.30 -1.66 115.31 117.35 1ni7 h LEU 133 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1ni7 h LEU 133 Cb 0.71 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1ni7 h LEU 133 CO -0.01 0.46 -0.24 0.78 -0.00 0.00 0.00 178.44 179.44 1ni7 h ASN 134 N 0.86 -0.57 -0.72 -0.43 2.35 -0.94 -2.33 115.58 113.79 1ni7 h ASN 134 Ca 0.40 -0.05 0.08 0.00 -0.55 0.00 0.00 56.30 56.18 1ni7 h ASN 134 Cb 0.40 0.15 -0.11 0.00 0.05 0.00 0.00 38.32 38.81 1ni7 h ASN 134 CO -0.17 -0.28 -0.54 0.00 -1.65 0.00 0.00 177.43 174.79 1ni7 h ALA 135 N -0.48 -0.56 -0.57 -0.83 0.00 -0.96 1.57 119.26 117.44 1ni7 h ALA 135 Ca -0.07 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ni7 h ALA 135 Cb 0.59 1.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.49 1ni7 h ALA 135 CO 0.11 -0.96 -0.53 -0.07 0.00 0.00 0.00 179.25 177.81 1ni7 h LEU 136 N -0.18 -1.81 -0.05 0.00 3.38 -1.29 0.22 115.31 115.58 1ni7 h LEU 136 Ca 0.14 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.40 1ni7 h LEU 136 Cb 0.51 0.77 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1ni7 h LEU 136 CO -0.78 -0.35 -0.12 -1.28 0.09 0.00 0.00 178.44 175.99 1ni7 h SER 137 N -0.28 -0.36 -1.17 -0.43 0.87 -0.30 -1.21 113.55 110.68 1ni7 h SER 137 Ca 0.12 0.06 0.42 0.00 -1.23 0.00 0.00 61.79 61.16 1ni7 h SER 137 Cb 0.56 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.53 1ni7 h SER 137 CO -0.69 -0.16 0.70 -0.33 -0.53 0.00 0.00 176.83 175.82 1ni7 h GLU 138 N -0.18 0.07 -0.72 2.24 4.39 0.40 1.52 114.58 122.31 1ni7 h GLU 138 Ca 0.06 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.90 1ni7 h GLU 138 Cb 0.26 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.80 1ni7 h GLU 138 CO -0.16 0.05 0.24 0.00 -1.16 0.00 0.00 179.01 177.99 1ni7 h ALA 139 N 1.78 0.98 -0.02 3.43 0.00 0.17 1.29 119.26 126.89 1ni7 h ALA 139 Ca 0.83 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.78 1ni7 h ALA 139 Cb 2.37 0.14 0.01 0.00 0.00 0.00 0.00 17.79 20.30 1ni7 h ALA 139 CO -0.58 -0.26 -0.35 0.82 0.00 0.00 0.00 179.25 178.88 1ni7 h ILE 140 N 0.37 1.49 -0.99 0.00 2.04 0.20 -2.57 117.51 118.05 1ni7 h ILE 140 Ca 0.40 -1.93 0.15 0.00 1.00 0.00 0.00 64.86 64.48 1ni7 h ILE 140 Cb 0.62 2.63 -0.09 0.00 -0.74 0.00 0.00 36.82 39.24 1ni7 h ILE 140 CO -0.43 0.54 0.62 0.40 0.00 0.00 0.00 178.15 179.28 1ni7 h ILE 141 N -0.33 0.82 -0.40 -0.67 1.08 0.03 1.61 117.51 119.66 1ni7 h ILE 141 Ca -0.04 -0.29 -0.05 0.00 -0.39 0.00 0.00 64.86 64.09 1ni7 h ILE 141 Cb 1.07 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 1ni7 h ILE 141 CO 0.07 0.15 0.05 0.00 -0.69 0.00 0.00 178.15 177.73 1ni7 h ALA 142 N 1.59 0.53 -0.10 1.87 0.00 0.16 -0.91 119.26 122.40 1ni7 h ALA 142 Ca 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ni7 h ALA 142 Cb 0.71 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ni7 h ALA 142 CO -0.30 0.25 -0.04 0.00 0.00 0.00 0.00 179.25 179.17 1ni7 h ALA 143 N 0.91 0.14 -0.96 0.00 0.00 -0.37 -2.95 119.26 116.03 1ni7 h ALA 143 Ca 0.12 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1ni7 h ALA 143 Cb 0.39 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1ni7 h ALA 143 CO 0.01 -0.11 0.56 1.79 0.00 0.00 0.00 179.25 181.51 1ni7 h THR 144 N -0.14 0.73 -0.79 0.00 1.35 0.23 0.49 112.91 114.78 1ni7 h THR 144 Ca 0.02 -0.26 0.05 0.00 -0.55 0.00 0.00 66.41 65.68 1ni7 h THR 144 Cb 0.47 -0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 66.76 1ni7 h THR 144 CO 0.01 0.14 0.52 0.11 -0.25 0.00 0.00 175.52 176.05 1ni7 h LYS 145 N 0.75 0.88 -0.03 4.72 1.57 -1.00 1.55 116.57 125.01 1ni7 h LYS 145 Ca 0.54 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 59.01 1ni7 h LYS 145 Cb 0.78 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.91 1ni7 h LYS 145 CO -0.37 0.58 -0.97 1.96 -0.57 0.00 0.00 179.45 180.08 1ni7 h GLN 146 N 0.91 0.66 0.34 3.15 1.08 -0.06 -2.58 115.11 118.61 1ni7 h GLN 146 Ca 0.33 -0.67 -0.02 0.00 -1.45 0.00 0.00 58.65 56.84 1ni7 h GLN 146 Cb 0.16 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1ni7 h GLN 146 CO -0.11 1.27 -0.16 0.28 -0.95 0.00 0.00 178.83 179.15 1ni7 h VAL 147 N 0.39 0.49 -0.79 -0.54 2.07 0.50 -3.18 116.25 115.19 1ni7 h VAL 147 Ca -0.11 -0.72 0.19 0.00 0.82 0.00 0.00 66.70 66.89 1ni7 h VAL 147 Cb 1.62 0.76 -0.13 0.00 -1.52 0.00 0.00 31.29 32.02 1ni7 h VAL 147 CO 0.19 0.10 0.08 -0.07 0.02 0.00 0.00 177.57 177.89 1ni7 h LEU 148 N -0.94 -0.23 0.00 2.57 3.38 0.21 -3.51 115.31 116.79 1ni7 h LEU 148 Ca -0.05 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ni7 h LEU 148 Cb 0.52 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ni7 h LEU 148 CO 0.08 -0.16 0.00 -0.62 0.09 0.00 0.00 178.44 177.83