#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 -0.29 2.03 -1.32 -1.26 -5.15 115.64 109.65 1ni7 s THR 2 Ca 0.00 -0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.20 1ni7 s THR 2 Cb 0.00 -2.41 0.18 0.00 -1.51 0.00 0.00 72.50 68.76 1ni7 s THR 2 CO 0.00 0.00 0.56 0.20 -2.21 0.00 0.00 174.62 173.17 1ni7 s ASN 3 N -3.30 -1.10 0.46 8.08 0.01 -1.26 -5.15 114.94 112.68 1ni7 s ASN 3 Ca 0.20 0.67 -0.21 0.00 -0.71 0.00 0.00 52.86 52.81 1ni7 s ASN 3 Cb 0.02 1.96 -0.09 0.00 0.41 0.00 0.00 41.25 43.55 1ni7 s ASN 3 CO -0.01 -0.27 1.04 -2.16 -1.51 0.00 0.00 177.10 174.19 1ni7 s PRO 4 N 2.80 3.92 -0.10 -0.60 0.04 -1.26 -5.06 135.00 134.73 1ni7 s PRO 4 Ca 0.18 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 1ni7 s PRO 4 Cb -0.15 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1ni7 s PRO 4 CO -0.21 -0.34 0.26 -1.14 0.04 0.00 0.00 177.00 175.61 1ni7 s GLN 5 N -2.99 0.26 0.32 4.56 0.74 -1.26 -5.16 119.66 116.12 1ni7 s GLN 5 Ca 0.64 0.46 -0.03 0.00 0.05 0.00 0.00 55.36 56.49 1ni7 s GLN 5 Cb -0.18 0.01 -0.01 0.00 1.10 0.00 0.00 33.01 33.94 1ni7 s GLN 5 CO 0.22 -0.10 0.42 -0.06 -0.55 0.00 0.00 175.29 175.22 1ni7 s PHE 6 N 0.72 1.05 -0.58 1.67 0.08 -1.26 -5.00 117.98 114.67 1ni7 s PHE 6 Ca -0.05 -1.27 -0.10 0.00 0.12 0.00 0.00 56.93 55.63 1ni7 s PHE 6 Cb -0.06 -0.16 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 1ni7 s PHE 6 CO -0.04 -1.04 0.65 0.00 -0.10 0.00 0.00 175.22 174.68 1ni7 n ALA 7 N -0.52 -2.75 -1.31 5.36 0.00 -1.26 -4.85 120.51 115.18 1ni7 n ALA 7 Ca 0.01 0.57 -0.23 0.00 0.00 0.00 0.00 53.44 53.80 1ni7 n ALA 7 Cb 0.62 -2.61 -0.06 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.97 4.08 3.82 0.00 0.00 -1.26 -4.95 105.19 105.90 1ni7 n GLY 8 Ca 0.04 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1ni7 n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ni7 s HIS 9 N -1.29 3.12 0.00 1.61 -3.43 -1.26 -5.01 115.29 109.02 1ni7 s HIS 9 Ca 0.55 1.46 0.00 0.00 -0.80 0.00 0.00 55.06 56.27 1ni7 s HIS 9 Cb 0.35 -2.92 0.00 0.00 -1.43 0.00 0.00 32.58 28.58 1ni7 s HIS 9 CO -0.15 -1.06 0.05 -0.35 -2.00 0.00 0.00 174.74 171.23 1ni7 n PRO 10 N -2.45 0.00 -2.25 -0.38 -0.04 -1.26 -4.85 135.00 123.76 1ni7 n PRO 10 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ni7 n PRO 10 Cb 0.53 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 1ni7 n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ni7 n PHE 11 N -0.20 0.00 0.00 0.54 3.72 -1.26 -2.30 117.46 117.96 1ni7 n PHE 11 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ni7 n PHE 11 Cb 0.00 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 1ni7 n PHE 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ni7 n GLY 12 N 1.31 2.47 0.10 1.37 0.00 0.75 -4.76 105.19 106.43 1ni7 n GLY 12 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 1ni7 n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ni7 h THR 13 N 0.00 0.00 0.00 2.61 2.02 -1.79 -3.35 112.91 112.41 1ni7 h THR 13 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ni7 h THR 13 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1ni7 h THR 13 CO 0.00 0.00 -0.27 0.41 0.37 0.00 0.00 175.52 176.03 1ni7 n THR 14 N -3.09 0.00 -3.36 3.16 -1.04 -1.26 -4.77 114.28 103.91 1ni7 n THR 14 Ca -0.02 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.31 1ni7 n THR 14 Cb 0.09 0.91 -0.07 0.00 -1.82 0.00 0.00 70.33 69.44 1ni7 n THR 14 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ni7 n VAL 15 N -1.14 2.88 -3.22 12.58 0.31 -1.26 -4.88 118.33 123.61 1ni7 n VAL 15 Ca 0.00 -5.34 -0.29 0.00 -0.01 0.00 0.00 64.34 58.70 1ni7 n VAL 15 Cb 0.04 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 30.83 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 -2.50 4.95 0.56 2.52 2.01 -1.25 -0.18 115.64 121.74 1ni7 s THR 16 Ca 0.38 0.24 0.37 0.00 0.31 0.00 0.00 61.69 62.99 1ni7 s THR 16 Cb 0.12 -3.72 0.55 0.00 0.01 0.00 0.00 72.50 69.46 1ni7 s THR 16 CO 0.00 -0.36 1.74 0.00 -0.69 0.00 0.00 174.62 175.32 1ni7 h ALA 17 N 1.63 3.10 0.22 7.40 0.00 -1.92 0.16 119.26 129.86 1ni7 h ALA 17 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ni7 h ALA 17 Cb 1.19 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ni7 h ALA 17 CO 0.66 -1.53 -0.10 1.49 0.00 0.00 0.00 179.25 179.76 1ni7 h GLU 18 N 0.00 -0.28 -0.99 0.00 4.57 -1.99 -2.70 114.58 113.19 1ni7 h GLU 18 Ca 0.57 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 59.04 1ni7 h GLU 18 Cb 2.40 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 30.92 1ni7 h GLU 18 CO -0.01 -0.01 0.56 1.15 -1.18 0.00 0.00 179.01 179.52 1ni7 h THR 19 N -1.01 0.44 -0.43 0.32 2.02 -1.11 1.24 112.91 114.39 1ni7 h THR 19 Ca -0.03 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1ni7 h THR 19 Cb 0.40 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1ni7 h THR 19 CO 0.05 0.09 -0.03 -0.07 0.37 0.00 0.00 175.52 175.92 1ni7 h LEU 20 N 0.47 0.69 -0.98 2.58 3.38 -1.16 -1.03 115.31 119.27 1ni7 h LEU 20 Ca 0.67 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.36 1ni7 h LEU 20 Cb 1.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ni7 h LEU 20 CO -0.53 0.78 -0.50 -0.09 0.09 0.00 0.00 178.44 178.19 1ni7 h ARG 21 N 0.67 0.00 -0.01 1.13 2.43 0.17 -0.08 114.38 118.69 1ni7 h ARG 21 Ca 0.13 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1ni7 h ARG 21 Cb 0.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1ni7 h ARG 21 CO 0.02 0.50 -0.73 -0.91 -1.51 0.00 0.00 179.97 177.35 1ni7 h ASN 22 N 0.00 0.10 0.10 -3.80 2.35 0.07 1.26 115.58 115.66 1ni7 h ASN 22 Ca -0.01 -0.07 -0.27 0.00 -0.55 0.00 0.00 56.30 55.41 1ni7 h ASN 22 Cb 0.91 -0.03 0.03 0.00 0.05 0.00 0.00 38.32 39.27 1ni7 h ASN 22 CO 0.07 0.79 -1.11 0.74 -1.65 0.00 0.00 177.43 176.27 1ni7 h THR 23 N 0.05 1.32 0.00 2.81 2.02 -0.83 -3.29 112.91 115.00 1ni7 h THR 23 Ca -0.01 -2.39 -0.01 0.00 0.77 0.00 0.00 66.41 64.76 1ni7 h THR 23 Cb 1.29 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 70.39 1ni7 h THR 23 CO 0.10 0.72 -0.64 -0.26 0.37 0.00 0.00 175.52 175.81 1ni7 h PHE 24 N 0.18 0.00 -0.98 3.16 0.04 -1.01 -3.33 116.94 115.00 1ni7 h PHE 24 Ca -0.17 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.74 1ni7 h PHE 24 Cb 1.80 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.80 1ni7 h PHE 24 CO 0.13 0.04 -0.42 0.00 -0.60 0.00 0.00 178.31 177.45 1ni7 n ALA 25 N -2.16 -0.23 0.03 2.45 0.00 0.43 -0.18 120.51 120.85 1ni7 n ALA 25 Ca 0.01 0.95 -0.18 0.00 0.00 0.00 0.00 53.44 54.22 1ni7 n ALA 25 Cb 0.56 -0.37 -0.08 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 0.67 -5.87 0.00 0.13 -1.74 -3.40 132.00 121.79 1ni7 h PRO 26 Ca 0.30 -0.65 -0.40 0.00 -0.87 0.00 0.00 66.00 64.38 1ni7 h PRO 26 Cb 0.55 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 1ni7 h PRO 26 CO -0.96 1.25 1.00 -0.51 -0.23 0.00 0.00 178.00 178.54 1ni7 s LEU 27 N -8.14 3.26 0.22 1.56 1.43 0.75 -4.70 118.68 113.05 1ni7 s LEU 27 Ca -0.09 -0.71 0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1ni7 s LEU 27 Cb 0.08 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.77 1ni7 s LEU 27 CO 0.90 -2.38 1.10 0.00 0.23 0.00 0.00 176.35 176.20 1ni7 h THR 28 N 7.06 0.07 -3.33 5.49 1.03 -1.79 -3.44 112.91 118.00 1ni7 h THR 28 Ca 0.06 -1.13 -0.57 0.00 -0.01 0.00 0.00 66.41 64.76 1ni7 h THR 28 Cb 1.03 1.64 -0.06 0.00 -1.07 0.00 0.00 68.15 69.68 1ni7 h THR 28 CO 1.26 0.04 0.32 -1.10 -0.01 0.00 0.00 175.52 176.03 1ni7 s GLN 29 N -3.29 4.35 0.27 0.00 -0.21 -1.26 -4.93 119.66 114.59 1ni7 s GLN 29 Ca 0.00 1.02 -0.00 0.00 0.02 0.00 0.00 55.36 56.40 1ni7 s GLN 29 Cb 0.09 -3.53 0.54 0.00 1.00 0.00 0.00 33.01 31.10 1ni7 s GLN 29 CO 0.78 -0.21 1.80 2.35 -2.12 0.00 0.00 175.29 177.88 1ni7 h TRP 30 N 7.15 0.95 -1.03 0.91 7.01 -1.97 0.17 115.95 129.14 1ni7 h TRP 30 Ca -0.33 0.03 0.34 0.00 2.11 0.00 0.00 58.89 61.04 1ni7 h TRP 30 Cb 1.15 -0.28 -0.15 0.00 -2.10 0.00 0.00 29.16 27.78 1ni7 h TRP 30 CO 0.70 0.31 0.59 0.93 -2.79 0.00 0.00 178.44 178.18 1ni7 h GLU 31 N 0.79 0.26 0.28 2.65 5.08 -1.98 0.39 114.58 122.05 1ni7 h GLU 31 Ca 0.48 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1ni7 h GLU 31 Cb 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ni7 h GLU 31 CO -0.31 0.17 -0.14 -0.44 -1.00 0.00 0.00 179.01 177.30 1ni7 h ASP 32 N 0.27 -0.32 -0.37 1.42 3.32 -1.05 -0.01 116.42 119.67 1ni7 h ASP 32 Ca 0.75 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 57.66 1ni7 h ASP 32 Cb 1.81 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 41.36 1ni7 h ASP 32 CO -0.60 0.11 -0.39 0.11 -1.72 0.00 0.00 179.24 176.74 1ni7 h LYS 33 N -0.82 -0.31 -0.03 3.56 6.56 -0.30 1.51 116.57 126.74 1ni7 h LYS 33 Ca -0.04 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1ni7 h LYS 33 Cb 0.51 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1ni7 h LYS 33 CO 0.06 -0.21 0.01 -0.92 -2.06 0.00 0.00 179.45 176.33 1ni7 h TYR 34 N -0.32 0.03 0.25 -1.35 3.20 -0.46 0.41 116.97 118.73 1ni7 h TYR 34 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1ni7 h TYR 34 Cb 0.57 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1ni7 h TYR 34 CO -0.58 0.03 -0.12 0.00 -1.64 0.00 0.00 178.16 175.85 1ni7 h ARG 35 N 0.03 -0.32 -0.63 1.82 3.08 0.19 -3.20 114.38 115.36 1ni7 h ARG 35 Ca 0.01 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1ni7 h ARG 35 Cb 0.02 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1ni7 h ARG 35 CO -0.00 -0.21 0.42 0.37 -1.07 0.00 0.00 179.97 179.47 1ni7 h GLN 36 N -0.93 0.44 -0.88 0.04 -0.00 0.20 -0.14 115.11 113.83 1ni7 h GLN 36 Ca -0.03 -0.03 0.15 0.00 -0.00 0.00 0.00 58.65 58.74 1ni7 h GLN 36 Cb 0.25 -0.10 -0.10 0.00 0.00 0.00 0.00 27.48 27.54 1ni7 h GLN 36 CO 0.06 0.29 0.47 -0.07 0.00 0.00 0.00 178.83 179.58 1ni7 h LEU 37 N 0.45 0.58 -0.51 -2.39 3.38 -0.25 0.21 115.31 116.78 1ni7 h LEU 37 Ca 0.29 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.40 1ni7 h LEU 37 Cb 0.53 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1ni7 h LEU 37 CO -0.08 0.24 0.25 0.40 0.09 0.00 0.00 178.44 179.33 1ni7 h ILE 38 N 0.66 0.93 0.00 1.22 2.04 -1.01 -0.13 117.51 121.23 1ni7 h ILE 38 Ca 0.48 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 66.13 1ni7 h ILE 38 Cb 0.69 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1ni7 h ILE 38 CO -0.36 0.09 -0.23 0.24 0.00 0.00 0.00 178.15 177.88 1ni7 h MET 39 N 0.48 0.00 -0.94 2.37 2.86 -0.70 -2.31 114.93 116.69 1ni7 h MET 39 Ca 0.23 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.96 1ni7 h MET 39 Cb 0.16 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 1ni7 h MET 39 CO -0.17 0.23 0.60 -0.07 1.06 0.00 0.00 176.91 178.56 1ni7 h LEU 40 N 0.00 0.88 0.05 1.22 3.38 0.10 -1.99 115.31 118.95 1ni7 h LEU 40 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ni7 h LEU 40 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ni7 h LEU 40 CO 0.03 0.52 -0.02 1.23 0.09 0.00 0.00 178.44 180.29 1ni7 h GLY 41 N 0.97 -0.07 -0.56 0.83 0.00 -1.25 -2.95 103.07 100.04 1ni7 h GLY 41 Ca 0.43 0.03 0.24 0.00 0.00 0.00 0.00 47.33 48.03 1ni7 h GLY 41 CO -0.19 -0.03 0.18 0.50 0.00 0.00 0.00 176.54 177.00 1ni7 h LYS 42 N -0.40 0.14 -0.57 4.80 1.57 -1.34 0.84 116.57 121.61 1ni7 h LYS 42 Ca -0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1ni7 h LYS 42 Cb 0.36 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1ni7 h LYS 42 CO 0.01 0.09 0.31 1.96 -0.57 0.00 0.00 179.45 181.26 1ni7 h GLN 43 N 0.15 0.58 -6.89 3.15 4.20 -1.30 -3.42 115.11 111.58 1ni7 h GLN 43 Ca 0.56 -0.03 -0.56 0.00 0.06 0.00 0.00 58.65 58.67 1ni7 h GLN 43 Cb 1.14 -0.13 0.13 0.00 0.30 0.00 0.00 27.48 28.92 1ni7 h GLN 43 CO -0.71 0.38 0.49 1.28 -0.67 0.00 0.00 178.83 179.59 1ni7 n LEU 44 N -4.83 4.41 -4.82 1.46 4.32 0.29 -4.96 117.00 112.86 1ni7 n LEU 44 Ca 0.06 1.04 -0.31 0.00 -0.02 0.00 0.00 56.01 56.78 1ni7 n LEU 44 Cb 0.14 -1.51 0.05 0.00 -1.62 0.00 0.00 43.42 40.48 1ni7 n LEU 44 CO 0.30 -0.75 0.71 -2.16 -1.22 0.00 0.00 177.39 174.27 1ni7 s PRO 45 N -2.44 2.92 -0.28 3.23 0.04 -1.26 -4.97 135.00 132.24 1ni7 s PRO 45 Ca 0.65 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 1ni7 s PRO 45 Cb -0.47 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 1ni7 s PRO 45 CO 0.55 -1.11 1.31 0.00 0.04 0.00 0.00 177.00 177.79 1ni7 s ALA 46 N -3.05 3.40 -0.19 8.56 0.00 -1.26 -4.95 121.76 124.28 1ni7 s ALA 46 Ca 0.58 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 1ni7 s ALA 46 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1ni7 s ALA 46 CO 0.55 -1.69 1.79 -1.17 0.00 0.00 0.00 175.76 175.24 1ni7 s LEU 47 N 4.29 3.88 0.85 0.00 2.96 -1.26 -4.97 118.68 124.42 1ni7 s LEU 47 Ca 0.57 1.82 -0.12 0.00 -0.22 0.00 0.00 54.13 56.18 1ni7 s LEU 47 Cb -0.18 -3.53 0.10 0.00 0.50 0.00 0.00 46.19 43.08 1ni7 s LEU 47 CO 0.22 -1.38 1.12 -2.16 -1.32 0.00 0.00 176.35 172.83 1ni7 s PRO 48 N 5.00 1.66 0.16 0.98 0.04 -1.26 -4.86 135.00 136.72 1ni7 s PRO 48 Ca 0.80 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 1ni7 s PRO 48 Cb -0.29 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1ni7 s PRO 48 CO 0.32 -1.88 1.67 0.22 0.04 0.00 0.00 177.00 177.38 1ni7 h ASP 49 N -1.27 0.79 -0.79 6.66 3.58 -1.98 -0.08 116.42 123.33 1ni7 h ASP 49 Ca -0.49 -0.22 0.16 0.00 0.42 0.00 0.00 57.03 56.91 1ni7 h ASP 49 Cb 1.30 -0.21 -0.10 0.00 1.72 0.00 0.00 39.33 42.03 1ni7 h ASP 49 CO 0.60 0.81 0.31 -0.08 -2.88 0.00 0.00 179.24 178.01 1ni7 h GLU 50 N 0.74 0.41 -0.06 0.28 4.57 -2.00 0.27 114.58 118.79 1ni7 h GLU 50 Ca 0.17 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.13 1ni7 h GLU 50 Cb 0.31 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1ni7 h GLU 50 CO -0.00 0.27 -0.78 -0.07 -1.18 0.00 0.00 179.01 177.25 1ni7 h LEU 51 N 0.42 0.48 -1.34 1.64 -0.00 -1.85 -2.96 115.31 111.71 1ni7 h LEU 51 Ca 0.45 -0.33 0.14 0.00 -0.00 0.00 0.00 57.88 58.13 1ni7 h LEU 51 Cb 0.74 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.19 1ni7 h LEU 51 CO -0.45 1.09 0.55 0.11 -0.00 0.00 0.00 178.44 179.75 1ni7 h LYS 52 N 0.26 0.63 -0.00 1.13 1.57 0.14 0.60 116.57 120.90 1ni7 h LYS 52 Ca -0.04 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1ni7 h LYS 52 Cb 1.37 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1ni7 h LYS 52 CO 0.13 0.42 -0.69 0.00 -0.57 0.00 0.00 179.45 178.74 1ni7 h ALA 53 N 1.61 0.86 0.00 3.86 0.00 -0.94 -2.77 119.26 121.87 1ni7 h ALA 53 Ca 0.42 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ni7 h ALA 53 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ni7 h ALA 53 CO -0.18 0.87 0.00 1.96 0.00 0.00 0.00 179.25 181.90 1ni7 h GLN 54 N 0.00 0.00 -6.28 0.00 7.50 0.08 -3.45 115.11 112.96 1ni7 h GLN 54 Ca -0.01 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.62 1ni7 h GLN 54 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.74 1ni7 h GLN 54 CO 0.09 0.00 -0.23 0.00 -1.50 0.00 0.00 178.83 177.19 1ni7 s ALA 55 N -3.28 4.49 0.10 3.87 0.00 0.15 -4.65 121.76 122.44 1ni7 s ALA 55 Ca 0.06 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.33 1ni7 s ALA 55 Cb 0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ni7 s ALA 55 CO 0.64 -0.56 0.11 0.15 0.00 0.00 0.00 175.76 176.09 1ni7 s LYS 56 N -4.41 2.92 0.07 0.00 1.02 0.64 -4.87 119.74 115.12 1ni7 s LYS 56 Ca 0.48 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 55.49 1ni7 s LYS 56 Cb -0.04 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1ni7 s LYS 56 CO 0.30 0.54 0.76 -1.21 -0.92 0.00 0.00 175.35 174.82 1ni7 s GLU 57 N -2.62 4.50 -0.21 1.68 2.02 -1.26 -2.00 118.70 120.81 1ni7 s GLU 57 Ca 0.30 1.08 -0.02 0.00 0.02 0.00 0.00 54.97 56.35 1ni7 s GLU 57 Cb -0.12 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.84 1ni7 s GLU 57 CO 0.23 0.35 0.03 0.42 0.02 0.00 0.00 175.26 176.31 1ni7 s ILE 58 N -0.32 0.67 -0.35 -1.63 1.01 0.46 -4.99 121.20 116.05 1ni7 s ILE 58 Ca 0.38 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1ni7 s ILE 58 Cb -0.21 -1.18 0.45 0.00 0.01 0.00 0.00 42.46 41.52 1ni7 s ILE 58 CO 0.24 -0.25 1.23 0.00 0.00 0.00 0.00 174.94 176.16 1ni7 n ALA 59 N 4.99 5.12 -1.95 9.38 0.00 -1.26 0.10 120.51 136.89 1ni7 n ALA 59 Ca -0.09 -3.91 -0.05 0.00 0.00 0.00 0.00 53.44 49.39 1ni7 n ALA 59 Cb 0.46 -0.47 0.11 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.66 4.89 1.86 0.00 0.00 -1.26 -4.99 105.19 105.03 1ni7 n GLY 60 Ca 0.44 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.36 -0.06 -2.50 0.00 4.71 -1.26 -4.69 120.64 116.47 1ni7 n GLU 62 Ca 0.04 1.36 -0.05 0.00 -0.01 0.00 0.00 57.16 58.50 1ni7 n GLU 62 Cb 0.35 -2.34 0.01 0.00 -1.01 0.00 0.00 31.44 28.45 1ni7 n GLU 62 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1ni7 n ASN 63 N -5.26 -1.13 -4.22 1.62 2.85 -1.26 -5.02 115.26 102.85 1ni7 n ASN 63 Ca 0.31 -1.86 -0.41 0.00 -0.11 0.00 0.00 54.58 52.52 1ni7 n ASN 63 Cb 1.05 1.90 0.00 0.00 1.24 0.00 0.00 39.78 43.97 1ni7 n ASN 63 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ni7 n ARG 64 N -0.28 0.00 -3.68 1.20 1.74 -1.26 -4.70 116.66 109.68 1ni7 n ARG 64 Ca -0.04 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 1ni7 n ARG 64 Cb 0.31 -0.98 -0.12 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.72 -0.33 -0.09 1.55 1.01 0.29 -2.90 120.40 118.20 1ni7 s VAL 65 Ca 0.58 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1ni7 s VAL 65 Cb -0.60 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1ni7 s VAL 65 CO 0.63 0.08 -0.16 0.26 0.00 0.00 0.00 175.10 175.90 1ni7 s TRP 66 N 2.06 2.69 -0.12 5.22 0.51 0.69 0.17 118.94 130.16 1ni7 s TRP 66 Ca -0.03 -0.56 -0.15 0.00 -2.12 0.00 0.00 56.10 53.23 1ni7 s TRP 66 Cb -0.11 -1.73 0.04 0.00 -0.81 0.00 0.00 33.47 30.86 1ni7 s TRP 66 CO -0.10 -0.12 0.41 -1.17 -0.51 0.00 0.00 176.95 175.46 1ni7 s LEU 67 N -0.04 0.43 -0.03 2.99 0.20 -0.85 0.31 118.68 121.70 1ni7 s LEU 67 Ca -0.04 0.69 -0.26 0.00 0.69 0.00 0.00 54.13 55.21 1ni7 s LEU 67 Cb -0.14 1.46 0.06 0.00 -0.43 0.00 0.00 46.19 47.14 1ni7 s LEU 67 CO 0.04 -0.23 0.57 -0.83 -0.29 0.00 0.00 176.35 175.61 1ni7 s GLY 68 N -0.16 -0.46 0.31 7.98 0.00 0.01 0.24 107.32 115.24 1ni7 s GLY 68 Ca -0.03 0.98 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 1ni7 s GLY 68 CO 0.02 0.67 0.67 -2.52 0.00 0.00 0.00 173.10 171.93 1ni7 s TYR 69 N -1.41 0.12 -0.20 1.90 -0.85 -1.26 0.57 117.35 116.23 1ni7 s TYR 69 Ca -0.11 -0.60 -0.18 0.00 -0.52 0.00 0.00 57.07 55.66 1ni7 s TYR 69 Cb -0.01 0.56 0.05 0.00 0.38 0.00 0.00 41.96 42.94 1ni7 s TYR 69 CO 0.07 -1.27 0.52 0.95 -1.52 0.00 0.00 175.55 174.30 1ni7 s THR 70 N -3.43 -0.00 -0.02 -3.49 -4.23 -1.21 -4.95 115.64 98.31 1ni7 s THR 70 Ca 0.16 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.39 1ni7 s THR 70 Cb -0.04 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 1ni7 s THR 70 CO 0.10 0.00 0.93 -0.69 -0.54 0.00 0.00 174.62 174.42 1ni7 s VAL 71 N 0.35 4.90 0.04 2.29 1.01 -1.26 -2.51 120.40 125.22 1ni7 s VAL 71 Ca -0.01 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1ni7 s VAL 71 Cb -0.04 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1ni7 s VAL 71 CO -0.00 0.17 0.05 0.00 0.00 0.00 0.00 175.10 175.31 1ni7 n ALA 72 N 3.96 -0.07 -0.04 5.51 0.00 -1.14 -4.86 120.51 123.86 1ni7 n ALA 72 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1ni7 n ALA 72 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 0.24 0.00 0.00 4.39 -1.97 -2.85 114.58 114.40 1ni7 h GLU 73 Ca -0.02 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 1ni7 h GLU 73 Cb 0.05 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1ni7 h GLU 73 CO 0.01 0.32 -0.80 -2.95 -1.16 0.00 0.00 179.01 174.43 1ni7 h ASN 74 N 0.11 0.00 0.00 1.42 -1.07 -2.03 -3.47 115.58 110.54 1ni7 h ASN 74 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.42 1ni7 h ASN 74 Cb 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 1ni7 h ASN 74 CO -0.00 0.80 0.00 0.61 0.07 0.00 0.00 177.43 178.91 1ni7 n GLY 75 N 1.25 1.45 3.52 9.14 0.00 -1.07 -5.05 105.19 114.42 1ni7 n GLY 75 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 0.36 -2.72 1.61 5.02 -1.26 -3.80 118.16 117.37 1ni7 n LYS 76 Ca 0.00 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.77 1ni7 n LYS 76 Cb 0.00 -2.29 -0.06 0.00 -0.02 0.00 0.00 35.03 32.66 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 8.29 4.12 -0.22 1.97 -1.94 -1.14 -2.91 119.30 127.48 1ni7 s MET 77 Ca 1.17 1.14 0.01 0.00 -1.71 0.00 0.00 55.69 56.30 1ni7 s MET 77 Cb -0.66 -2.16 0.05 0.00 2.01 0.00 0.00 34.83 34.08 1ni7 s MET 77 CO 0.37 -0.13 -0.06 -1.01 -0.01 0.00 0.00 175.02 174.18 1ni7 s HIS 78 N -2.20 2.31 0.29 -0.03 3.76 -1.04 -4.19 115.29 114.18 1ni7 s HIS 78 Ca 0.62 -1.64 -0.15 0.00 -0.15 0.00 0.00 55.06 53.75 1ni7 s HIS 78 Cb -0.10 -1.56 -0.09 0.00 1.11 0.00 0.00 32.58 31.95 1ni7 s HIS 78 CO 0.16 -0.75 0.71 -0.06 -0.85 0.00 0.00 174.74 173.95 1ni7 s PHE 79 N 1.43 3.43 -0.30 1.40 0.40 -1.26 -3.30 117.98 119.78 1ni7 s PHE 79 Ca -0.04 1.19 -0.14 0.00 -0.60 0.00 0.00 56.93 57.34 1ni7 s PHE 79 Cb -0.18 -2.51 0.14 0.00 0.51 0.00 0.00 43.02 40.98 1ni7 s PHE 79 CO -0.07 0.16 0.85 -0.59 0.70 0.00 0.00 175.22 176.27 1ni7 s PHE 80 N -1.88 -0.91 0.00 0.36 -0.12 0.19 -4.97 117.98 110.66 1ni7 s PHE 80 Ca 0.51 1.64 0.00 0.00 -0.05 0.00 0.00 56.93 59.03 1ni7 s PHE 80 Cb -0.11 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1ni7 s PHE 80 CO 0.18 -0.45 0.00 0.41 -0.05 0.00 0.00 175.22 175.31 1ni7 n GLY 81 N 4.78 2.17 2.08 1.99 0.00 -1.26 -0.81 105.19 114.14 1ni7 n GLY 81 Ca -0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 1ni7 n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni7 n ASP 82 N 0.00 -0.94 -3.61 1.61 8.00 0.15 -4.89 116.55 116.88 1ni7 n ASP 82 Ca 0.00 -1.49 -0.10 0.00 0.71 0.00 0.00 54.79 53.91 1ni7 n ASP 82 Cb 0.00 1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 42.59 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ni7 s SER 83 N -2.32 -0.40 -0.10 -2.24 0.15 -1.26 -0.22 113.70 107.30 1ni7 s SER 83 Ca 0.12 -0.28 -0.27 0.00 0.70 0.00 0.00 55.95 56.23 1ni7 s SER 83 Cb -0.02 0.61 -0.25 0.00 -1.71 0.00 0.00 66.02 64.66 1ni7 s SER 83 CO 0.03 -1.07 0.89 -0.33 1.20 0.00 0.00 173.24 173.96 1ni7 h GLU 84 N 2.07 0.06 -6.36 5.44 4.39 -1.84 -3.43 114.58 114.92 1ni7 h GLU 84 Ca -0.29 -0.08 -0.57 0.00 0.34 0.00 0.00 59.36 58.75 1ni7 h GLU 84 Cb 1.28 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1ni7 h GLU 84 CO 0.35 0.95 1.19 0.20 -1.16 0.00 0.00 179.01 180.55 1ni7 s GLY 85 N -4.07 0.94 0.28 -3.84 0.00 -1.26 -4.87 107.32 94.49 1ni7 s GLY 85 Ca -0.18 0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.62 1ni7 s GLY 85 CO 0.71 3.08 1.57 3.21 0.00 0.00 0.00 173.10 181.67 1ni7 h ARG 86 N 11.95 0.00 -0.12 2.90 3.08 -1.90 0.55 114.38 130.84 1ni7 h ARG 86 Ca -0.32 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.77 1ni7 h ARG 86 Cb 1.15 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 1ni7 h ARG 86 CO 1.04 0.00 -0.43 0.97 -1.07 0.00 0.00 179.97 180.49 1ni7 h ILE 87 N 0.00 0.13 -0.46 2.04 6.09 -1.84 0.17 117.51 123.65 1ni7 h ILE 87 Ca 0.47 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 64.02 1ni7 h ILE 87 Cb 0.75 0.13 -0.05 0.00 0.47 0.00 0.00 36.82 38.12 1ni7 h ILE 87 CO -0.98 0.00 0.17 0.58 -3.07 0.00 0.00 178.15 174.85 1ni7 h VAL 88 N -0.51 0.87 -0.54 2.19 2.07 -0.59 -0.69 116.25 119.04 1ni7 h VAL 88 Ca 0.07 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1ni7 h VAL 88 Cb 0.63 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 1ni7 h VAL 88 CO -0.39 0.06 -0.17 0.03 0.02 0.00 0.00 177.57 177.12 1ni7 h ARG 89 N 0.35 -0.04 -0.35 1.57 2.47 0.13 -0.23 114.38 118.28 1ni7 h ARG 89 Ca 0.21 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1ni7 h ARG 89 Cb 0.20 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1ni7 h ARG 89 CO -0.21 -0.03 0.21 0.78 0.56 0.00 0.00 179.97 181.28 1ni7 h GLY 90 N -0.04 0.52 -0.27 0.04 0.00 0.10 -2.52 103.07 100.89 1ni7 h GLY 90 Ca 0.26 -0.22 0.18 0.00 0.00 0.00 0.00 47.33 47.55 1ni7 h GLY 90 CO -0.58 0.21 0.10 1.41 0.00 0.00 0.00 176.54 177.68 1ni7 h LEU 91 N 0.46 -0.17 -0.51 3.11 3.38 0.39 0.25 115.31 122.23 1ni7 h LEU 91 Ca 0.13 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.38 1ni7 h LEU 91 Cb 0.02 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 1ni7 h LEU 91 CO -0.02 -0.13 -0.22 -0.07 0.09 0.00 0.00 178.44 178.09 1ni7 h LEU 92 N 0.17 -0.75 -0.29 1.67 3.38 -0.79 -1.32 115.31 117.37 1ni7 h LEU 92 Ca 0.44 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.61 1ni7 h LEU 92 Cb 0.79 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1ni7 h LEU 92 CO -0.61 -0.24 -0.19 0.00 0.09 0.00 0.00 178.44 177.49 1ni7 h ALA 93 N 1.25 -0.21 -0.84 1.53 0.00 -0.47 1.76 119.26 122.29 1ni7 h ALA 93 Ca 0.24 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1ni7 h ALA 93 Cb 0.47 1.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.20 1ni7 h ALA 93 CO -0.57 -0.34 0.05 0.28 0.00 0.00 0.00 179.25 178.67 1ni7 h VAL 94 N -0.02 0.26 0.80 0.00 2.07 -1.25 0.73 116.25 118.84 1ni7 h VAL 94 Ca 0.05 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1ni7 h VAL 94 Cb 0.14 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1ni7 h VAL 94 CO -0.28 0.02 -0.39 0.25 0.02 0.00 0.00 177.57 177.19 1ni7 h LEU 95 N 0.10 -0.92 -1.93 2.57 6.46 0.12 0.46 115.31 122.17 1ni7 h LEU 95 Ca 0.49 0.03 0.34 0.00 -0.12 0.00 0.00 57.88 58.62 1ni7 h LEU 95 Cb 0.92 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 1ni7 h LEU 95 CO -0.73 -0.65 0.84 -0.07 -0.62 0.00 0.00 178.44 177.21 1ni7 h LEU 96 N -1.08 0.05 -0.04 2.25 4.07 0.41 0.74 115.31 121.71 1ni7 h LEU 96 Ca -0.11 0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.70 1ni7 h LEU 96 Cb 0.83 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.58 1ni7 h LEU 96 CO 0.18 0.01 -0.61 0.74 -1.08 0.00 0.00 178.44 177.67 1ni7 h THR 97 N 0.04 1.39 -0.01 0.22 2.02 0.12 -2.82 112.91 113.87 1ni7 h THR 97 Ca 0.57 -2.00 -0.02 0.00 0.77 0.00 0.00 66.41 65.73 1ni7 h THR 97 Cb 2.21 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 71.04 1ni7 h THR 97 CO -0.04 0.59 -0.10 0.00 0.37 0.00 0.00 175.52 176.34 1ni7 h ALA 98 N 0.39 1.82 -0.92 6.16 0.00 0.51 0.24 119.26 127.46 1ni7 h ALA 98 Ca -0.07 -0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.31 1ni7 h ALA 98 Cb 1.29 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.80 1ni7 h ALA 98 CO 0.12 0.14 0.56 1.33 0.00 0.00 0.00 179.25 181.40 1ni7 n VAL 99 N -4.41 3.09 -1.54 0.00 0.24 0.38 -4.87 118.33 111.21 1ni7 n VAL 99 Ca -0.03 -1.80 -0.32 0.00 -2.04 0.00 0.00 64.34 60.15 1ni7 n VAL 99 Cb 0.18 -0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 32.02 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 -0.88 0.67 -4.14 7.34 0.00 0.07 -2.22 120.64 121.49 1ni7 n GLU 100 Ca 0.54 -0.16 -0.30 0.00 0.00 0.00 0.00 57.16 57.25 1ni7 n GLU 100 Cb 1.59 -2.94 -0.05 0.00 0.00 0.00 0.00 31.44 30.03 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 6.22 -0.24 3.93 8.31 0.00 -1.26 -4.93 105.19 117.23 1ni7 n GLY 101 Ca 0.47 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 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 -6.90 3.52 0.09 1.61 1.02 -0.94 -4.75 119.74 113.38 1ni7 s LYS 102 Ca 0.17 -0.30 -0.04 0.00 0.02 0.00 0.00 55.97 55.82 1ni7 s LYS 102 Cb -0.09 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 1ni7 s LYS 102 CO 0.94 0.23 0.30 0.95 -0.92 0.00 0.00 175.35 176.84 1ni7 s THR 103 N -2.16 5.27 0.19 2.17 -4.23 -1.26 -2.87 115.64 112.74 1ni7 s THR 103 Ca 0.40 -0.07 -0.23 0.00 -1.18 0.00 0.00 61.69 60.61 1ni7 s THR 103 Cb -0.10 -3.61 0.09 0.00 1.34 0.00 0.00 72.50 70.21 1ni7 s THR 103 CO 0.33 0.14 1.50 0.00 -0.54 0.00 0.00 174.62 176.06 1ni7 n ALA 104 N 0.38 -0.36 0.01 3.99 0.00 -1.26 0.30 120.51 123.57 1ni7 n ALA 104 Ca -0.05 0.90 -0.12 0.00 0.00 0.00 0.00 53.44 54.17 1ni7 n ALA 104 Cb 0.52 -0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 1ni7 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ni7 h ALA 105 N 0.92 -0.55 -0.79 0.00 0.00 -1.94 -1.37 119.26 115.54 1ni7 h ALA 105 Ca 0.25 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1ni7 h ALA 105 Cb 0.49 0.74 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1ni7 h ALA 105 CO -0.94 -0.90 -0.36 0.93 0.00 0.00 0.00 179.25 177.98 1ni7 h GLU 106 N -0.48 -0.08 -0.54 0.00 4.39 -0.54 0.71 114.58 118.05 1ni7 h GLU 106 Ca 0.08 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.89 1ni7 h GLU 106 Cb 0.61 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.17 1ni7 h GLU 106 CO -0.38 -0.05 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.09 1ni7 h LEU 107 N -0.08 -0.91 -1.67 1.33 3.38 0.17 0.94 115.31 118.47 1ni7 h LEU 107 Ca 0.29 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 1ni7 h LEU 107 Cb 0.57 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1ni7 h LEU 107 CO -0.83 -0.27 -0.18 1.56 0.09 0.00 0.00 178.44 178.80 1ni7 h GLN 108 N -0.13 0.00 0.00 1.13 4.20 0.36 0.20 115.11 120.86 1ni7 h GLN 108 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ni7 h GLN 108 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ni7 h GLN 108 CO -0.62 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 177.73 1ni7 h ALA 109 N 1.82 1.00 -1.35 3.87 0.00 0.63 -3.42 119.26 121.80 1ni7 h ALA 109 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1ni7 h ALA 109 Cb 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.92 1ni7 h ALA 109 CO 0.02 0.00 -0.11 -1.14 0.00 0.00 0.00 179.25 178.02 1ni7 s GLN 110 N -3.31 0.50 0.55 0.00 0.74 0.21 -5.04 119.66 113.31 1ni7 s GLN 110 Ca 0.06 1.10 -0.20 0.00 0.05 0.00 0.00 55.36 56.37 1ni7 s GLN 110 Cb 0.09 0.64 -0.05 0.00 1.10 0.00 0.00 33.01 34.79 1ni7 s GLN 110 CO 0.58 -0.34 1.20 -1.12 -0.55 0.00 0.00 175.29 175.06 1ni7 s SER 111 N 2.83 5.53 0.00 6.67 0.01 -1.10 -4.26 113.70 123.38 1ni7 s SER 111 Ca 0.05 2.37 0.23 0.00 1.31 0.00 0.00 55.95 59.91 1ni7 s SER 111 Cb -0.12 -2.60 1.22 0.00 0.21 0.00 0.00 66.02 64.73 1ni7 s SER 111 CO -0.19 -1.36 1.76 -0.81 0.41 0.00 0.00 173.24 173.05 1ni7 n PRO 112 N -1.21 0.43 0.19 12.44 -0.04 -1.26 -2.42 135.00 143.12 1ni7 n PRO 112 Ca 0.11 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 1ni7 n PRO 112 Cb 0.49 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.17 1.53 3.38 -1.97 -3.26 115.31 115.16 1ni7 h LEU 113 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ni7 h LEU 113 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1ni7 h LEU 113 CO 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.10 1ni7 h ALA 114 N 2.18 -0.80 0.07 1.53 0.00 -1.86 0.42 119.26 120.80 1ni7 h ALA 114 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ni7 h ALA 114 Cb 0.70 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1ni7 h ALA 114 CO 0.00 -1.01 -0.36 1.25 0.00 0.00 0.00 179.25 179.13 1ni7 h LEU 115 N -0.70 -1.07 -0.69 0.00 6.46 -1.81 1.36 115.31 118.87 1ni7 h LEU 115 Ca 0.01 0.13 0.15 0.00 -0.12 0.00 0.00 57.88 58.05 1ni7 h LEU 115 Cb 0.70 0.41 -0.12 0.00 -0.73 0.00 0.00 40.66 40.92 1ni7 h LEU 115 CO -0.22 -0.43 -0.04 -0.26 -0.62 0.00 0.00 178.44 176.87 1ni7 h PHE 116 N -0.56 -0.12 -0.09 1.25 0.04 -1.55 0.88 116.94 116.78 1ni7 h PHE 116 Ca 0.04 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1ni7 h PHE 116 Cb 0.61 0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 1ni7 h PHE 116 CO -0.35 -0.23 -0.02 0.22 -0.60 0.00 0.00 178.31 177.33 1ni7 h ASP 117 N 0.08 0.17 -0.27 2.17 1.82 0.73 1.73 116.42 122.86 1ni7 h ASP 117 Ca 0.36 -0.38 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1ni7 h ASP 117 Cb 0.60 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 40.50 1ni7 h ASP 117 CO -0.63 0.51 -0.17 -0.33 -1.61 0.00 0.00 179.24 177.01 1ni7 h GLU 118 N -0.16 -0.15 0.00 0.28 4.39 0.36 0.68 114.58 119.97 1ni7 h GLU 118 Ca 0.02 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1ni7 h GLU 118 Cb 0.44 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1ni7 h GLU 118 CO 0.01 -0.10 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.45 1ni7 h LEU 119 N -0.15 0.00 0.00 1.33 3.38 0.73 -3.47 115.31 117.13 1ni7 h LEU 119 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ni7 h LEU 119 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ni7 h LEU 119 CO -0.36 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1ni7 n GLY 120 N 0.64 0.52 0.39 0.83 0.00 0.37 -4.92 105.19 103.02 1ni7 n GLY 120 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 1.12 0.00 0.99 4.77 0.50 -4.05 117.00 120.33 1ni7 n LEU 121 Ca 0.00 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1ni7 n LEU 121 Cb 0.25 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ni7 n LEU 121 CO 0.00 0.28 0.00 -1.14 -1.33 0.00 0.00 177.39 175.20 1ni7 n ARG 122 N 0.11 0.00 -0.28 3.23 0.63 -1.14 -4.77 116.66 114.44 1ni7 n ARG 122 Ca 0.07 0.00 0.33 0.00 -0.92 0.00 0.00 57.85 57.33 1ni7 n ARG 122 Cb 0.18 -0.09 0.64 0.00 0.45 0.00 0.00 32.46 33.64 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 0.00 3.02 0.14 5.13 0.00 -1.74 1.51 119.26 127.32 1ni7 h ALA 123 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1ni7 h ALA 123 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ni7 h ALA 123 CO 0.00 -1.63 -1.86 1.96 0.00 0.00 0.00 179.25 177.72 1ni7 h GLN 124 N 0.00 0.29 -6.20 0.00 7.50 -1.90 -3.47 115.11 111.33 1ni7 h GLN 124 Ca 0.54 -0.49 -0.71 0.00 0.50 0.00 0.00 58.65 58.49 1ni7 h GLN 124 Cb 2.62 0.18 0.06 0.00 0.05 0.00 0.00 27.48 30.39 1ni7 h GLN 124 CO -0.01 1.19 0.30 1.28 -1.50 0.00 0.00 178.83 180.10 1ni7 n LEU 125 N -3.49 1.12 -4.48 1.46 4.77 0.52 -4.82 117.00 112.08 1ni7 n LEU 125 Ca -0.27 1.13 -0.37 0.00 -0.03 0.00 0.00 56.01 56.47 1ni7 n LEU 125 Cb 1.06 -1.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1ni7 n LEU 125 CO 0.46 -1.35 0.11 -1.20 -1.33 0.00 0.00 177.39 174.08 1ni7 n SER 126 N 2.17 -0.94 -0.09 -1.43 7.64 -1.26 -4.54 113.62 115.17 1ni7 n SER 126 Ca 0.18 0.69 -0.10 0.00 1.01 0.00 0.00 58.87 60.65 1ni7 n SER 126 Cb 0.17 -1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ni7 h ALA 127 N 0.04 -0.45 -0.38 -0.43 0.00 -1.94 0.21 119.26 116.31 1ni7 h ALA 127 Ca -0.46 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1ni7 h ALA 127 Cb 1.38 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.96 1ni7 h ALA 127 CO 0.46 -0.87 -0.22 0.43 0.00 0.00 0.00 179.25 179.05 1ni7 n SER 128 N -5.42 -0.40 -0.35 0.00 7.64 -1.26 0.83 113.62 114.66 1ni7 n SER 128 Ca -0.01 1.27 0.12 0.00 1.01 0.00 0.00 58.87 61.25 1ni7 n SER 128 Cb 0.35 -0.39 0.30 0.00 -1.01 0.00 0.00 64.21 63.47 1ni7 n SER 128 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ni7 h ARG 129 N 0.00 0.80 -1.00 1.43 -0.00 -1.73 0.26 114.38 114.13 1ni7 h ARG 129 Ca 0.06 -0.05 0.24 0.00 -0.50 0.00 0.00 59.98 59.73 1ni7 h ARG 129 Cb 0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 29.97 29.85 1ni7 h ARG 129 CO -0.35 0.53 0.64 0.66 0.00 0.00 0.00 179.97 181.45 1ni7 h SER 130 N 0.82 0.51 -0.87 7.04 4.64 0.37 0.62 113.55 126.67 1ni7 h SER 130 Ca 0.56 0.08 0.24 0.00 -0.47 0.00 0.00 61.79 62.19 1ni7 h SER 130 Cb 0.80 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 1ni7 h SER 130 CO -0.35 0.14 0.61 -0.61 -0.87 0.00 0.00 176.83 175.75 1ni7 h GLN 131 N 0.47 0.12 0.60 4.77 4.15 0.92 -1.73 115.11 124.42 1ni7 h GLN 131 Ca 0.56 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.95 1ni7 h GLN 131 Cb 1.31 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.97 1ni7 h GLN 131 CO -0.29 0.08 -0.29 0.78 -1.93 0.00 0.00 178.83 177.18 1ni7 h GLY 132 N 0.13 -0.84 -0.64 2.39 0.00 0.14 -2.55 103.07 101.70 1ni7 h GLY 132 Ca 0.43 0.31 0.28 0.00 0.00 0.00 0.00 47.33 48.36 1ni7 h GLY 132 CO -0.06 -0.31 0.29 1.41 0.00 0.00 0.00 176.54 177.87 1ni7 h LEU 133 N -1.10 0.04 0.22 3.11 4.07 -1.36 0.43 115.31 120.71 1ni7 h LEU 133 Ca -0.08 0.22 0.01 0.00 0.08 0.00 0.00 57.88 58.11 1ni7 h LEU 133 Cb 0.62 0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 1ni7 h LEU 133 CO 0.14 -0.23 -0.38 0.78 -1.08 0.00 0.00 178.44 177.67 1ni7 h ASN 134 N 0.16 -1.08 -0.51 -0.43 2.35 -1.33 0.34 115.58 115.08 1ni7 h ASN 134 Ca 0.63 0.11 0.09 0.00 -0.55 0.00 0.00 56.30 56.59 1ni7 h ASN 134 Cb 1.39 0.39 -0.10 0.00 0.05 0.00 0.00 38.32 40.05 1ni7 h ASN 134 CO -0.71 -0.48 -0.34 0.00 -1.65 0.00 0.00 177.43 174.24 1ni7 h ALA 135 N -0.17 -0.14 -0.15 -0.83 0.00 0.23 0.80 119.26 119.00 1ni7 h ALA 135 Ca 0.01 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ni7 h ALA 135 Cb 0.66 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1ni7 h ALA 135 CO -0.16 -0.72 -0.51 -0.07 0.00 0.00 0.00 179.25 177.79 1ni7 h LEU 136 N -0.21 -1.61 -0.31 0.00 3.38 -0.67 -1.08 115.31 114.80 1ni7 h LEU 136 Ca 0.20 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.44 1ni7 h LEU 136 Cb 0.55 0.64 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1ni7 h LEU 136 CO -0.62 -0.47 -0.15 -1.28 0.09 0.00 0.00 178.44 176.01 1ni7 h SER 137 N -0.55 -0.52 -1.24 -0.43 0.87 0.57 0.11 113.55 112.37 1ni7 h SER 137 Ca 0.05 0.12 0.39 0.00 -1.23 0.00 0.00 61.79 61.12 1ni7 h SER 137 Cb 0.67 0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 62.79 1ni7 h SER 137 CO -0.44 -0.19 0.80 -0.33 -0.53 0.00 0.00 176.83 176.14 1ni7 h GLU 138 N -0.11 0.16 -1.00 2.24 4.39 0.17 1.41 114.58 121.84 1ni7 h GLU 138 Ca 0.16 -0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.09 1ni7 h GLU 138 Cb 0.35 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 1ni7 h GLU 138 CO -0.38 0.10 0.63 0.00 -1.16 0.00 0.00 179.01 178.21 1ni7 h ALA 139 N 1.61 2.04 0.22 3.43 0.00 0.29 0.24 119.26 127.09 1ni7 h ALA 139 Ca 0.76 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.73 1ni7 h ALA 139 Cb 2.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1ni7 h ALA 139 CO -0.39 -0.42 -0.11 0.82 0.00 0.00 0.00 179.25 179.15 1ni7 h ILE 140 N 0.51 0.46 -0.97 0.00 2.04 0.18 -2.43 117.51 117.31 1ni7 h ILE 140 Ca 0.58 -0.97 0.32 0.00 1.00 0.00 0.00 64.86 65.78 1ni7 h ILE 140 Cb 1.27 0.80 -0.16 0.00 -0.74 0.00 0.00 36.82 37.98 1ni7 h ILE 140 CO -0.32 0.13 0.37 0.40 0.00 0.00 0.00 178.15 178.73 1ni7 h ILE 141 N -0.99 0.16 -0.44 -0.67 1.08 -0.99 1.89 117.51 117.55 1ni7 h ILE 141 Ca -0.03 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1ni7 h ILE 141 Cb 0.43 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 1ni7 h ILE 141 CO 0.05 0.03 0.10 0.00 -0.69 0.00 0.00 178.15 177.64 1ni7 h ALA 142 N 1.90 0.59 0.25 1.87 0.00 -0.61 -0.74 119.26 122.52 1ni7 h ALA 142 Ca 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1ni7 h ALA 142 Cb 1.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ni7 h ALA 142 CO -0.73 0.28 -0.12 0.00 0.00 0.00 0.00 179.25 178.68 1ni7 h ALA 143 N 0.96 -0.33 -1.00 0.00 0.00 0.27 -2.81 119.26 116.36 1ni7 h ALA 143 Ca 0.14 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.13 1ni7 h ALA 143 Cb 0.33 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1ni7 h ALA 143 CO 0.00 -0.52 0.67 1.79 0.00 0.00 0.00 179.25 181.19 1ni7 h THR 144 N -0.66 0.56 -0.34 0.00 1.35 0.19 1.05 112.91 115.06 1ni7 h THR 144 Ca -0.03 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 1ni7 h THR 144 Cb 0.47 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.09 1ni7 h THR 144 CO 0.06 0.06 0.04 0.11 -0.25 0.00 0.00 175.52 175.53 1ni7 h LYS 145 N 0.31 0.51 -0.00 4.72 1.57 -0.88 0.72 116.57 123.52 1ni7 h LYS 145 Ca 0.53 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1ni7 h LYS 145 Cb 1.51 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1ni7 h LYS 145 CO -0.20 0.51 -0.12 0.37 -0.57 0.00 0.00 179.45 179.45 1ni7 h GLN 146 N 0.50 0.09 -0.64 3.15 4.15 0.12 -1.89 115.11 120.60 1ni7 h GLN 146 Ca 0.11 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1ni7 h GLN 146 Cb 0.27 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1ni7 h GLN 146 CO 0.00 0.83 0.32 0.28 -1.93 0.00 0.00 178.83 178.33 1ni7 h VAL 147 N -0.62 1.22 0.14 2.39 2.07 -0.82 -2.78 116.25 117.85 1ni7 h VAL 147 Ca -0.01 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ni7 h VAL 147 Cb 0.87 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ni7 h VAL 147 CO 0.02 0.25 -0.12 -0.07 0.02 0.00 0.00 177.57 177.67 1ni7 h LEU 148 N 0.88 -0.31 0.00 2.57 -0.00 0.39 -3.51 115.31 115.33 1ni7 h LEU 148 Ca 0.22 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1ni7 h LEU 148 Cb 0.10 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1ni7 h LEU 148 CO -0.03 -0.19 0.00 -0.62 -0.00 0.00 0.00 178.44 177.60