#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 n THR 2 N 0.00 0.01 -4.42 2.03 5.66 -1.26 -5.14 114.28 111.16 1ni7 n THR 2 Ca 0.00 -1.77 -0.25 0.00 -3.05 0.00 0.00 64.05 58.98 1ni7 n THR 2 Cb 0.00 1.24 -0.09 0.00 -1.55 0.00 0.00 70.33 69.93 1ni7 n THR 2 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1ni7 s ASN 3 N -1.39 4.00 1.12 1.09 -0.87 -1.26 -5.14 114.94 112.49 1ni7 s ASN 3 Ca 0.23 -1.05 -0.19 0.00 -1.57 0.00 0.00 52.86 50.29 1ni7 s ASN 3 Cb 0.32 -0.46 0.27 0.00 -0.02 0.00 0.00 41.25 41.35 1ni7 s ASN 3 CO -0.06 -0.19 1.22 -0.81 -2.57 0.00 0.00 177.10 174.69 1ni7 n PRO 4 N -0.87 -2.21 -3.93 -0.60 -0.04 -1.26 -5.07 135.00 121.02 1ni7 n PRO 4 Ca -0.05 -1.92 -0.27 0.00 -0.04 0.00 0.00 63.50 61.22 1ni7 n PRO 4 Cb 0.62 -1.51 -0.17 0.00 -0.04 0.00 0.00 33.50 32.41 1ni7 n PRO 4 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ni7 s GLN 5 N -5.72 1.67 1.22 0.54 -1.52 -1.26 -5.13 119.66 109.47 1ni7 s GLN 5 Ca 0.74 -0.32 -0.18 0.00 -1.95 0.00 0.00 55.36 53.65 1ni7 s GLN 5 Cb -0.04 -1.70 0.29 0.00 -0.22 0.00 0.00 33.01 31.34 1ni7 s GLN 5 CO 0.54 -0.27 1.05 -0.06 -0.25 0.00 0.00 175.29 176.30 1ni7 s PHE 6 N 1.66 0.61 -0.07 0.91 0.08 -1.26 -5.03 117.98 114.89 1ni7 s PHE 6 Ca 0.05 0.70 -0.05 0.00 0.12 0.00 0.00 56.93 57.74 1ni7 s PHE 6 Cb -0.13 -3.22 -0.02 0.00 -0.57 0.00 0.00 43.02 39.09 1ni7 s PHE 6 CO -0.09 -4.02 -0.11 0.00 -0.10 0.00 0.00 175.22 170.91 1ni7 n ALA 7 N -4.93 0.26 0.00 5.36 0.00 -1.26 -4.97 120.51 114.98 1ni7 n ALA 7 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ni7 n ALA 7 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 8 N 1.62 1.78 3.65 0.00 0.00 -1.26 -4.97 105.19 106.01 1ni7 n GLY 8 Ca -0.04 -0.29 -0.54 0.00 0.00 0.00 0.00 46.02 45.15 1ni7 n GLY 8 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ni7 n HIS 9 N 0.00 2.04 -1.89 1.61 8.25 -1.26 -4.79 115.22 119.19 1ni7 n HIS 9 Ca 0.00 0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 57.41 1ni7 n HIS 9 Cb 0.00 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.55 1ni7 n HIS 9 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ni7 n PRO 10 N 6.29 2.28 -2.82 -0.41 -0.04 -1.26 -4.47 135.00 134.58 1ni7 n PRO 10 Ca 0.28 -2.55 -0.11 0.00 -0.04 0.00 0.00 63.50 61.09 1ni7 n PRO 10 Cb 0.19 -3.36 0.07 0.00 -0.04 0.00 0.00 33.50 30.36 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 9.13 -1.87 0.00 0.54 3.72 -1.26 -4.21 117.46 123.51 1ni7 n PHE 11 Ca 0.49 -2.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.39 1ni7 n PHE 11 Cb 0.43 1.05 0.00 0.00 -0.94 0.00 0.00 39.48 40.02 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 0.14 0.30 0.09 1.37 0.00 -0.83 -1.30 105.19 104.96 1ni7 n GLY 12 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 1.49 -0.07 2.61 -1.04 -1.26 -4.61 114.28 111.41 1ni7 n THR 13 Ca 0.00 0.15 -0.22 0.00 -2.04 0.00 0.00 64.05 61.93 1ni7 n THR 13 Cb 0.00 -2.35 -0.12 0.00 -1.82 0.00 0.00 70.33 66.03 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 -4.47 1.63 -2.84 12.58 -1.04 -1.26 -4.71 114.28 114.17 1ni7 n THR 14 Ca -0.13 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 1ni7 n THR 14 Cb 0.50 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 67.10 1ni7 n THR 14 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ni7 s VAL 15 N -2.46 4.36 0.35 12.58 1.01 -1.26 -4.80 120.40 130.18 1ni7 s VAL 15 Ca -0.28 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1ni7 s VAL 15 Cb 0.07 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1ni7 s VAL 15 CO 0.65 -1.52 0.24 0.42 0.00 0.00 0.00 175.10 174.89 1ni7 s THR 16 N 3.89 3.20 0.60 3.92 -4.23 -1.26 -1.96 115.64 119.80 1ni7 s THR 16 Ca 0.27 -1.51 0.28 0.00 -1.18 0.00 0.00 61.69 59.55 1ni7 s THR 16 Cb -0.13 -3.08 0.37 0.00 1.34 0.00 0.00 72.50 71.01 1ni7 s THR 16 CO 0.05 -0.15 1.72 0.00 -0.54 0.00 0.00 174.62 175.69 1ni7 h ALA 17 N 1.35 2.31 0.08 3.99 0.00 -1.93 0.44 119.26 125.51 1ni7 h ALA 17 Ca -0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ni7 h ALA 17 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ni7 h ALA 17 CO 0.61 -0.97 -0.04 1.49 0.00 0.00 0.00 179.25 180.34 1ni7 h GLU 18 N 0.00 -0.11 -0.82 0.00 4.81 -1.97 -1.53 114.58 114.97 1ni7 h GLU 18 Ca 0.27 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1ni7 h GLU 18 Cb 1.62 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.98 1ni7 h GLU 18 CO -0.00 0.36 0.54 1.15 -0.73 0.00 0.00 179.01 180.33 1ni7 h THR 19 N -0.94 1.16 0.53 0.32 2.02 -1.02 0.25 112.91 115.23 1ni7 h THR 19 Ca -0.01 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1ni7 h THR 19 Cb 0.52 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1ni7 h THR 19 CO 0.02 0.19 -0.26 -0.07 0.37 0.00 0.00 175.52 175.77 1ni7 h LEU 20 N 1.04 -0.61 -2.58 2.58 3.38 -0.38 -2.58 115.31 116.16 1ni7 h LEU 20 Ca 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ni7 h LEU 20 Cb -0.02 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ni7 h LEU 20 CO -0.09 -0.25 0.03 0.08 0.09 0.00 0.00 178.44 178.30 1ni7 h ARG 21 N -1.01 0.00 -0.01 1.13 -0.00 -0.99 0.20 114.38 113.70 1ni7 h ARG 21 Ca -0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.82 1ni7 h ARG 21 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.58 1ni7 h ARG 21 CO 0.12 0.00 -0.42 -0.97 -0.00 0.00 0.00 179.97 178.71 1ni7 h ASN 22 N 0.00 0.01 0.56 0.08 -0.73 -0.10 1.80 115.58 117.20 1ni7 h ASN 22 Ca 0.00 -0.01 -0.29 0.00 1.87 0.00 0.00 56.30 57.88 1ni7 h ASN 22 Cb 0.06 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 1ni7 h ASN 22 CO 0.00 0.43 -1.51 0.74 -0.37 0.00 0.00 177.43 176.72 1ni7 h THR 23 N 0.01 1.13 0.00 -3.57 2.02 -0.51 -3.34 112.91 108.66 1ni7 h THR 23 Ca -0.00 -2.87 -0.14 0.00 0.77 0.00 0.00 66.41 64.17 1ni7 h THR 23 Cb 0.74 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 1ni7 h THR 23 CO 0.05 0.75 -1.00 -0.26 0.37 0.00 0.00 175.52 175.44 1ni7 h PHE 24 N 0.03 0.00 -0.96 3.16 0.04 -1.20 -3.29 116.94 114.73 1ni7 h PHE 24 Ca -0.22 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.70 1ni7 h PHE 24 Cb 1.96 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.96 1ni7 h PHE 24 CO 0.03 0.54 -0.38 0.00 -0.60 0.00 0.00 178.31 177.91 1ni7 n ALA 25 N -2.31 -0.12 -0.00 2.45 0.00 0.61 -0.41 120.51 120.72 1ni7 n ALA 25 Ca -0.04 0.96 -0.17 0.00 0.00 0.00 0.00 53.44 54.18 1ni7 n ALA 25 Cb 0.79 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 0.50 -5.54 0.00 0.13 -1.77 -3.40 132.00 121.92 1ni7 h PRO 26 Ca 0.33 -0.48 -0.20 0.00 -0.87 0.00 0.00 66.00 64.78 1ni7 h PRO 26 Cb 0.57 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 1ni7 h PRO 26 CO -0.95 1.12 0.53 -0.51 -0.23 0.00 0.00 178.00 177.96 1ni7 s LEU 27 N -8.39 3.01 -0.13 1.56 1.43 0.46 -4.70 118.68 111.92 1ni7 s LEU 27 Ca -0.13 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1ni7 s LEU 27 Cb 0.05 -2.56 0.44 0.00 0.03 0.00 0.00 46.19 44.15 1ni7 s LEU 27 CO 0.84 -3.25 1.17 0.41 0.23 0.00 0.00 176.35 175.75 1ni7 n THR 28 N 8.20 1.48 -4.16 5.49 -1.04 -1.25 -4.78 114.28 118.22 1ni7 n THR 28 Ca 0.43 -0.75 -0.33 0.00 -2.04 0.00 0.00 64.05 61.36 1ni7 n THR 28 Cb 0.46 -0.38 -0.16 0.00 -1.82 0.00 0.00 70.33 68.43 1ni7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ni7 s GLN 29 N -1.95 2.99 0.30 -2.82 0.00 -1.26 -4.99 119.66 111.93 1ni7 s GLN 29 Ca 0.29 -0.83 0.03 0.00 -0.00 0.00 0.00 55.36 54.85 1ni7 s GLN 29 Cb 0.22 -2.56 0.61 0.00 0.00 0.00 0.00 33.01 31.28 1ni7 s GLN 29 CO 0.09 -0.20 1.84 2.35 0.00 0.00 0.00 175.29 179.37 1ni7 h TRP 30 N 7.89 1.09 -0.91 9.60 7.01 -1.94 0.30 115.95 138.99 1ni7 h TRP 30 Ca -0.45 0.03 0.17 0.00 2.11 0.00 0.00 58.89 60.75 1ni7 h TRP 30 Cb 1.14 -0.34 -0.07 0.00 -2.10 0.00 0.00 29.16 27.79 1ni7 h TRP 30 CO 0.47 0.42 0.59 1.49 -2.79 0.00 0.00 178.44 178.62 1ni7 h GLU 31 N 0.94 0.58 0.34 2.65 4.81 -1.98 0.39 114.58 122.31 1ni7 h GLU 31 Ca 0.49 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1ni7 h GLU 31 Cb 0.54 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1ni7 h GLU 31 CO -0.26 0.38 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.80 1ni7 h ASP 32 N 0.60 -0.39 -0.27 1.04 3.32 -0.81 -1.30 116.42 118.61 1ni7 h ASP 32 Ca 0.47 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.40 1ni7 h ASP 32 Cb 0.91 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 1ni7 h ASP 32 CO -0.22 0.04 -0.38 0.11 -1.72 0.00 0.00 179.24 177.07 1ni7 h LYS 33 N -0.93 -0.27 -0.80 3.56 1.57 -0.72 1.49 116.57 120.48 1ni7 h LYS 33 Ca -0.05 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.96 1ni7 h LYS 33 Cb 0.53 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 1ni7 h LYS 33 CO 0.08 -0.18 0.55 -0.92 -0.57 0.00 0.00 179.45 178.41 1ni7 h TYR 34 N -0.28 0.22 0.28 -1.35 5.03 -1.05 0.62 116.97 120.45 1ni7 h TYR 34 Ca 0.05 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1ni7 h TYR 34 Cb 0.41 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1ni7 h TYR 34 CO -0.68 0.06 -0.14 0.00 -1.32 0.00 0.00 178.16 176.09 1ni7 h ARG 35 N 0.17 -0.37 -0.07 1.82 2.47 0.11 -3.20 114.38 115.31 1ni7 h ARG 35 Ca 0.39 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.16 1ni7 h ARG 35 Cb 1.29 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1ni7 h ARG 35 CO -0.07 -0.24 0.16 0.37 0.56 0.00 0.00 179.97 180.74 1ni7 h GLN 36 N -0.87 0.00 -0.16 0.04 -0.00 0.23 -0.88 115.11 113.46 1ni7 h GLN 36 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1ni7 h GLN 36 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1ni7 h GLN 36 CO 0.06 0.00 0.07 -0.07 0.00 0.00 0.00 178.83 178.89 1ni7 h LEU 37 N 0.00 0.09 -1.44 -2.39 3.38 0.24 0.60 115.31 115.79 1ni7 h LEU 37 Ca 0.04 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1ni7 h LEU 37 Cb 0.35 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1ni7 h LEU 37 CO -0.00 0.08 0.62 0.40 0.09 0.00 0.00 178.44 179.62 1ni7 h ILE 38 N 0.15 0.65 -0.01 1.22 5.03 -1.15 0.49 117.51 123.89 1ni7 h ILE 38 Ca 0.07 -0.15 -0.19 0.00 -0.12 0.00 0.00 64.86 64.47 1ni7 h ILE 38 Cb 0.03 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 33.98 1ni7 h ILE 38 CO -0.06 0.08 -0.84 0.24 -0.68 0.00 0.00 178.15 176.89 1ni7 h MET 39 N 0.44 0.22 -1.01 2.37 2.86 -1.23 -3.11 114.93 115.47 1ni7 h MET 39 Ca 0.51 -0.22 0.28 0.00 -2.06 0.00 0.00 59.70 58.20 1ni7 h MET 39 Cb 1.22 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.89 1ni7 h MET 39 CO -0.22 0.94 0.70 -0.07 1.06 0.00 0.00 176.91 179.32 1ni7 h LEU 40 N 0.13 0.16 -0.45 1.22 3.38 0.22 0.51 115.31 120.47 1ni7 h LEU 40 Ca -0.04 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1ni7 h LEU 40 Cb 1.46 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1ni7 h LEU 40 CO 0.13 0.04 -0.10 1.23 0.09 0.00 0.00 178.44 179.83 1ni7 h GLY 41 N 0.15 0.93 -0.30 0.83 0.00 -1.45 -3.06 103.07 100.17 1ni7 h GLY 41 Ca 0.51 -0.76 0.13 0.00 0.00 0.00 0.00 47.33 47.21 1ni7 h GLY 41 CO -0.10 0.69 -0.18 0.50 0.00 0.00 0.00 176.54 177.46 1ni7 h LYS 42 N 0.69 -0.02 -1.02 4.80 1.57 -0.09 0.84 116.57 123.34 1ni7 h LYS 42 Ca 0.11 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.16 1ni7 h LYS 42 Cb 0.64 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 1ni7 h LYS 42 CO 0.04 -0.01 0.67 1.96 -0.57 0.00 0.00 179.45 181.54 1ni7 h GLN 43 N -0.02 0.35 -6.59 3.15 4.20 -1.43 -3.40 115.11 111.37 1ni7 h GLN 43 Ca 0.30 -0.02 -0.52 0.00 0.06 0.00 0.00 58.65 58.47 1ni7 h GLN 43 Cb 0.48 -0.08 0.05 0.00 0.30 0.00 0.00 27.48 28.23 1ni7 h GLN 43 CO -0.66 0.23 1.06 -1.17 -0.67 0.00 0.00 178.83 177.63 1ni7 s LEU 44 N -9.49 4.39 0.64 1.46 2.96 0.29 -4.88 118.68 114.04 1ni7 s LEU 44 Ca -0.08 2.83 -0.13 0.00 -0.22 0.00 0.00 54.13 56.52 1ni7 s LEU 44 Cb 0.25 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 1ni7 s LEU 44 CO 0.80 -0.99 1.05 -2.16 -1.32 0.00 0.00 176.35 173.73 1ni7 s PRO 45 N 1.91 3.17 -0.59 0.98 0.04 -1.26 -4.91 135.00 134.34 1ni7 s PRO 45 Ca 0.78 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 1ni7 s PRO 45 Cb -0.48 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 1ni7 s PRO 45 CO 0.34 -0.92 2.19 0.00 0.04 0.00 0.00 177.00 178.66 1ni7 s ALA 46 N -2.75 1.71 0.17 8.56 0.00 -1.26 -4.90 121.76 123.28 1ni7 s ALA 46 Ca 0.61 -0.40 -0.32 0.00 0.00 0.00 0.00 51.96 51.85 1ni7 s ALA 46 Cb -0.15 -4.37 -0.11 0.00 0.00 0.00 0.00 23.12 18.49 1ni7 s ALA 46 CO 0.45 -4.47 1.71 -1.17 0.00 0.00 0.00 175.76 172.29 1ni7 s LEU 47 N 11.31 4.38 0.23 0.00 2.96 -1.26 -4.94 118.68 131.36 1ni7 s LEU 47 Ca 0.85 2.76 -0.30 0.00 -0.22 0.00 0.00 54.13 57.22 1ni7 s LEU 47 Cb -0.14 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1ni7 s LEU 47 CO 0.20 -0.94 1.10 -2.16 -1.32 0.00 0.00 176.35 173.23 1ni7 s PRO 48 N 1.66 4.63 0.60 0.98 0.04 -1.26 -4.89 135.00 136.75 1ni7 s PRO 48 Ca 0.75 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.84 1ni7 s PRO 48 Cb -0.47 -3.23 1.45 0.00 0.04 0.00 0.00 34.50 32.29 1ni7 s PRO 48 CO 0.33 0.16 1.86 -0.44 0.04 0.00 0.00 177.00 178.95 1ni7 h ASP 49 N 4.40 0.00 -0.56 6.66 3.32 -1.99 0.47 116.42 128.72 1ni7 h ASP 49 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1ni7 h ASP 49 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1ni7 h ASP 49 CO 0.69 0.00 0.19 -0.08 -1.72 0.00 0.00 179.24 178.33 1ni7 h GLU 50 N 0.00 0.86 0.00 3.56 4.81 -2.00 -2.30 114.58 119.51 1ni7 h GLU 50 Ca 0.20 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1ni7 h GLU 50 Cb 1.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1ni7 h GLU 50 CO -0.00 0.77 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.30 1ni7 h LEU 51 N 0.78 0.00 -1.56 1.64 3.38 -0.47 -2.94 115.31 116.13 1ni7 h LEU 51 Ca 0.18 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ni7 h LEU 51 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1ni7 h LEU 51 CO -0.01 0.67 0.34 0.11 0.09 0.00 0.00 178.44 179.64 1ni7 h LYS 52 N 0.00 0.56 0.00 1.13 1.57 -0.76 0.49 116.57 119.56 1ni7 h LYS 52 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ni7 h LYS 52 Cb 1.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1ni7 h LYS 52 CO 0.09 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 1ni7 n ALA 53 N -2.48 2.01 0.94 3.86 0.00 -0.94 -2.19 120.51 121.71 1ni7 n ALA 53 Ca 0.06 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1ni7 n ALA 53 Cb 0.14 -1.44 0.20 0.00 0.00 0.00 0.00 19.45 18.36 1ni7 n ALA 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ni7 n GLN 54 N -2.25 0.04 -2.11 0.00 3.00 0.16 -4.90 117.38 111.32 1ni7 n GLN 54 Ca 0.04 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.94 1ni7 n GLN 54 Cb 0.34 -1.52 0.02 0.00 0.00 0.00 0.00 30.24 29.08 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 -1.55 0.44 -2.48 -1.58 0.00 -0.68 -4.62 120.51 110.04 1ni7 n ALA 55 Ca 0.05 -0.89 -0.26 0.00 0.00 0.00 0.00 53.44 52.34 1ni7 n ALA 55 Cb 0.35 0.30 -0.13 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.02 1.28 -1.09 0.00 1.02 0.44 -4.81 119.74 113.56 1ni7 s LYS 56 Ca 0.20 -1.15 -0.20 0.00 0.02 0.00 0.00 55.97 54.84 1ni7 s LYS 56 Cb -0.02 -1.55 0.09 0.00 -0.52 0.00 0.00 37.83 35.83 1ni7 s LYS 56 CO 0.13 0.37 1.45 -1.21 -0.92 0.00 0.00 175.35 175.17 1ni7 s GLU 57 N -1.73 3.75 -0.53 1.68 2.02 -1.23 -1.73 118.70 120.92 1ni7 s GLU 57 Ca 0.08 -1.64 -0.26 0.00 0.02 0.00 0.00 54.97 53.17 1ni7 s GLU 57 Cb -0.10 -5.27 -0.04 0.00 0.10 0.00 0.00 34.13 28.82 1ni7 s GLU 57 CO 0.04 -2.08 2.09 0.42 0.02 0.00 0.00 175.26 175.75 1ni7 s ILE 58 N 3.90 3.21 0.63 -1.63 1.01 0.63 -4.75 121.20 124.20 1ni7 s ILE 58 Ca 0.45 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 1ni7 s ILE 58 Cb -0.00 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.99 1ni7 s ILE 58 CO -0.04 -0.49 0.90 0.00 0.00 0.00 0.00 174.94 175.31 1ni7 s ALA 59 N 10.20 3.49 0.00 9.38 0.00 -1.26 -2.65 121.76 140.92 1ni7 s ALA 59 Ca 0.81 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1ni7 s ALA 59 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1ni7 s ALA 59 CO 0.24 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1ni7 n GLY 60 N -2.65 2.99 2.43 0.00 0.00 -1.26 -5.02 105.19 101.69 1ni7 n GLY 60 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 h GLU 62 N 0.00 0.02 0.00 0.00 4.22 -1.95 -3.45 114.58 113.43 1ni7 h GLU 62 Ca -0.28 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.13 1ni7 h GLU 62 Cb 0.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1ni7 h GLU 62 CO 0.19 0.02 0.03 0.09 -2.18 0.00 0.00 179.01 177.16 1ni7 n ASN 63 N -5.49 -0.54 -4.67 1.04 4.13 -1.26 -5.09 115.26 103.38 1ni7 n ASN 63 Ca 0.14 -1.48 -0.50 0.00 1.68 0.00 0.00 54.58 54.42 1ni7 n ASN 63 Cb 0.48 0.93 -0.05 0.00 -1.54 0.00 0.00 39.78 39.59 1ni7 n ASN 63 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1ni7 n ARG 64 N -0.15 1.96 -4.87 3.52 1.85 -1.26 -4.79 116.66 112.92 1ni7 n ARG 64 Ca -0.01 0.71 -0.33 0.00 -1.00 0.00 0.00 57.85 57.22 1ni7 n ARG 64 Cb 0.16 -2.57 -0.15 0.00 -1.05 0.00 0.00 32.46 28.86 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 4.28 2.86 -0.25 8.89 1.01 -1.08 -3.67 120.40 132.43 1ni7 s VAL 65 Ca 0.95 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 1ni7 s VAL 65 Cb -0.75 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1ni7 s VAL 65 CO 0.54 0.53 0.04 0.26 0.00 0.00 0.00 175.10 176.47 1ni7 s TRP 66 N 0.34 3.07 0.02 5.22 0.51 -1.24 0.23 118.94 127.09 1ni7 s TRP 66 Ca -0.13 -0.75 0.02 0.00 -2.12 0.00 0.00 56.10 53.13 1ni7 s TRP 66 Cb -0.16 -2.20 -0.01 0.00 -0.81 0.00 0.00 33.47 30.28 1ni7 s TRP 66 CO 0.06 -0.48 -0.08 -1.17 -0.51 0.00 0.00 176.95 174.77 1ni7 s LEU 67 N 1.54 2.14 0.05 2.99 0.20 -0.71 -1.04 118.68 123.85 1ni7 s LEU 67 Ca 0.05 -0.34 -0.04 0.00 0.69 0.00 0.00 54.13 54.49 1ni7 s LEU 67 Cb -0.15 -0.28 -0.02 0.00 -0.43 0.00 0.00 46.19 45.30 1ni7 s LEU 67 CO 0.01 -0.05 0.05 -0.83 -0.29 0.00 0.00 176.35 175.24 1ni7 s GLY 68 N -0.88 0.28 -0.02 7.98 0.00 -0.45 0.17 107.32 114.40 1ni7 s GLY 68 Ca -0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 1ni7 s GLY 68 CO 0.00 -0.96 0.65 -2.52 0.00 0.00 0.00 173.10 170.27 1ni7 s TYR 69 N -3.26 -0.62 -0.04 1.90 -0.85 -1.26 -0.92 117.35 112.30 1ni7 s TYR 69 Ca 0.01 0.99 -0.10 0.00 -0.52 0.00 0.00 57.07 57.45 1ni7 s TYR 69 Cb 0.03 0.41 0.02 0.00 0.38 0.00 0.00 41.96 42.79 1ni7 s TYR 69 CO -0.08 -0.63 0.23 0.95 -1.52 0.00 0.00 175.55 174.50 1ni7 s THR 70 N -1.50 0.05 -0.04 -3.49 -4.23 -1.19 -4.94 115.64 100.30 1ni7 s THR 70 Ca -0.10 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 59.90 1ni7 s THR 70 Cb -0.00 -0.46 -0.05 0.00 1.34 0.00 0.00 72.50 73.33 1ni7 s THR 70 CO 0.07 -0.21 0.35 0.68 -0.54 0.00 0.00 174.62 174.97 1ni7 s VAL 71 N -0.83 5.14 0.00 2.29 -7.23 -1.26 -1.77 120.40 116.74 1ni7 s VAL 71 Ca -0.09 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 1ni7 s VAL 71 Cb -0.05 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1ni7 s VAL 71 CO 0.02 0.57 0.00 0.00 -0.31 0.00 0.00 175.10 175.38 1ni7 n ALA 72 N 2.01 0.00 0.15 1.32 0.00 -1.03 -4.89 120.51 118.08 1ni7 n ALA 72 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 1ni7 n ALA 72 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.34 -0.00 0.00 3.07 -1.99 -2.94 114.58 112.39 1ni7 h GLU 73 Ca 0.00 0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.73 1ni7 h GLU 73 Cb 0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1ni7 h GLU 73 CO 0.00 -0.12 -0.70 -2.95 -1.40 0.00 0.00 179.01 173.84 1ni7 h ASN 74 N -0.50 0.03 0.00 1.42 -1.07 -2.04 -3.46 115.58 109.96 1ni7 h ASN 74 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.31 1ni7 h ASN 74 Cb 0.37 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 1ni7 h ASN 74 CO 0.06 0.72 0.00 0.61 0.07 0.00 0.00 177.43 178.89 1ni7 n GLY 75 N 0.48 1.29 3.35 9.14 0.00 -1.11 -5.07 105.19 113.27 1ni7 n GLY 75 Ca -0.01 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.47 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 0.37 -2.88 1.61 5.02 -1.26 -3.91 118.16 117.11 1ni7 n LYS 76 Ca 0.00 0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 1ni7 n LYS 76 Cb 0.00 -1.86 -0.06 0.00 -0.02 0.00 0.00 35.03 33.09 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 6.50 4.54 -0.29 1.97 -1.94 -1.12 -2.46 119.30 126.49 1ni7 s MET 77 Ca 1.18 1.21 0.02 0.00 -1.71 0.00 0.00 55.69 56.40 1ni7 s MET 77 Cb -1.23 -2.95 0.08 0.00 2.01 0.00 0.00 34.83 32.75 1ni7 s MET 77 CO 0.57 0.38 0.00 -1.01 -0.01 0.00 0.00 175.02 174.96 1ni7 s HIS 78 N -1.47 3.04 0.09 -0.03 3.76 -0.73 -3.89 115.29 116.06 1ni7 s HIS 78 Ca 0.45 -2.39 -0.17 0.00 -0.15 0.00 0.00 55.06 52.80 1ni7 s HIS 78 Cb -0.20 -2.24 -0.07 0.00 1.11 0.00 0.00 32.58 31.19 1ni7 s HIS 78 CO 0.24 -0.88 0.54 -0.06 -0.85 0.00 0.00 174.74 173.73 1ni7 s PHE 79 N 1.16 3.72 -0.28 1.40 0.40 -1.26 -3.19 117.98 119.93 1ni7 s PHE 79 Ca 0.03 1.16 -0.18 0.00 -0.60 0.00 0.00 56.93 57.33 1ni7 s PHE 79 Cb -0.19 -2.42 0.12 0.00 0.51 0.00 0.00 43.02 41.04 1ni7 s PHE 79 CO -0.10 0.54 0.91 -0.59 0.70 0.00 0.00 175.22 176.68 1ni7 s PHE 80 N -1.24 -0.68 0.00 0.36 -0.12 -0.10 -4.96 117.98 111.24 1ni7 s PHE 80 Ca 0.32 1.42 0.00 0.00 -0.05 0.00 0.00 56.93 58.62 1ni7 s PHE 80 Cb -0.17 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 1ni7 s PHE 80 CO 0.18 -0.33 0.00 0.41 -0.05 0.00 0.00 175.22 175.43 1ni7 n GLY 81 N 3.48 3.16 3.23 1.99 0.00 -1.26 -1.34 105.19 114.45 1ni7 n GLY 81 Ca -0.17 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.26 1ni7 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ni7 s ASP 82 N 2.00 -0.35 0.72 1.61 -4.77 -0.20 -4.93 116.67 110.75 1ni7 s ASP 82 Ca 0.00 0.36 -0.06 0.00 -3.30 0.00 0.00 52.55 49.55 1ni7 s ASP 82 Cb 0.00 1.35 0.08 0.00 -1.09 0.00 0.00 42.92 43.26 1ni7 s ASP 82 CO 0.00 -0.07 1.03 -0.55 0.70 0.00 0.00 175.17 176.28 1ni7 s SER 83 N 2.54 4.64 -0.15 2.11 0.15 -1.26 -3.59 113.70 118.13 1ni7 s SER 83 Ca -0.02 0.33 -0.23 0.00 0.70 0.00 0.00 55.95 56.74 1ni7 s SER 83 Cb -0.06 -0.91 -0.24 0.00 -1.71 0.00 0.00 66.02 63.10 1ni7 s SER 83 CO -0.14 -1.70 0.52 -0.08 1.20 0.00 0.00 173.24 173.04 1ni7 h GLU 84 N -0.65 0.08 -7.15 5.44 4.22 -1.91 -3.45 114.58 111.16 1ni7 h GLU 84 Ca -0.43 -0.14 -0.51 0.00 0.08 0.00 0.00 59.36 58.36 1ni7 h GLU 84 Cb 1.30 0.05 0.11 0.00 0.50 0.00 0.00 28.75 30.71 1ni7 h GLU 84 CO 0.56 1.06 0.41 0.20 -2.18 0.00 0.00 179.01 179.06 1ni7 s GLY 85 N -4.65 2.40 0.19 1.92 0.00 -1.26 -4.94 107.32 100.98 1ni7 s GLY 85 Ca -0.22 0.75 0.09 0.00 0.00 0.00 0.00 44.72 45.33 1ni7 s GLY 85 CO 0.68 1.12 1.44 0.07 0.00 0.00 0.00 173.10 176.41 1ni7 h ARG 86 N 0.41 0.00 0.17 2.90 -0.00 -1.91 -2.59 114.38 113.36 1ni7 h ARG 86 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.49 1ni7 h ARG 86 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.24 1ni7 h ARG 86 CO 0.54 0.82 -0.08 0.82 -0.00 0.00 0.00 179.97 182.07 1ni7 h ILE 87 N 0.00 0.00 -0.90 0.08 1.08 -1.89 -2.96 117.51 112.93 1ni7 h ILE 87 Ca -0.01 -0.13 0.24 0.00 -0.39 0.00 0.00 64.86 64.58 1ni7 h ILE 87 Cb 1.45 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.06 1ni7 h ILE 87 CO 0.11 0.00 0.32 0.58 -0.69 0.00 0.00 178.15 178.46 1ni7 h VAL 88 N -0.36 0.35 -0.61 1.67 2.07 -1.97 0.16 116.25 117.57 1ni7 h VAL 88 Ca -0.02 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1ni7 h VAL 88 Cb 0.18 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 29.90 1ni7 h VAL 88 CO 0.04 0.05 -0.39 -0.09 0.02 0.00 0.00 177.57 177.20 1ni7 h ARG 89 N 0.27 -0.18 -0.47 1.57 2.43 -1.48 0.26 114.38 116.79 1ni7 h ARG 89 Ca 0.57 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.74 1ni7 h ARG 89 Cb 1.16 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1ni7 h ARG 89 CO -0.62 -0.12 0.22 0.78 -1.51 0.00 0.00 179.97 178.72 1ni7 h GLY 90 N -0.19 0.72 0.02 2.80 0.00 -0.55 -2.73 103.07 103.14 1ni7 h GLY 90 Ca 0.21 -0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.29 1ni7 h GLY 90 CO -0.70 0.35 -0.01 1.41 0.00 0.00 0.00 176.54 177.59 1ni7 h LEU 91 N 0.61 -0.27 -0.87 3.11 3.38 0.19 0.28 115.31 121.74 1ni7 h LEU 91 Ca 0.16 0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.49 1ni7 h LEU 91 Cb 0.13 0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.01 1ni7 h LEU 91 CO -0.02 -0.10 0.33 -0.07 0.09 0.00 0.00 178.44 178.66 1ni7 h LEU 92 N 0.11 0.20 0.00 1.67 3.38 -0.28 -1.59 115.31 118.80 1ni7 h LEU 92 Ca 0.30 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ni7 h LEU 92 Cb 0.47 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ni7 h LEU 92 CO -0.49 -0.06 0.00 0.00 0.09 0.00 0.00 178.44 177.98 1ni7 n ALA 93 N -2.57 -0.12 -0.29 1.53 0.00 0.96 0.20 120.51 120.23 1ni7 n ALA 93 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ni7 n ALA 93 Cb 0.65 0.35 0.06 0.00 0.00 0.00 0.00 19.45 20.51 1ni7 n ALA 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ni7 h VAL 94 N 0.00 0.13 0.14 0.00 2.07 -1.30 1.59 116.25 118.88 1ni7 h VAL 94 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1ni7 h VAL 94 Cb 0.00 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1ni7 h VAL 94 CO 0.00 0.00 -0.48 0.25 0.02 0.00 0.00 177.57 177.36 1ni7 h LEU 95 N -0.05 -1.42 -2.06 2.57 6.46 -0.28 1.48 115.31 122.01 1ni7 h LEU 95 Ca 0.34 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 58.31 1ni7 h LEU 95 Cb 0.59 0.53 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1ni7 h LEU 95 CO -0.84 -0.53 0.16 -0.07 -0.62 0.00 0.00 178.44 176.54 1ni7 h LEU 96 N -0.72 0.00 -0.29 2.25 4.07 0.51 0.23 115.31 121.37 1ni7 h LEU 96 Ca 0.01 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.77 1ni7 h LEU 96 Cb 0.73 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1ni7 h LEU 96 CO -0.26 0.00 -0.86 0.74 -1.08 0.00 0.00 178.44 176.98 1ni7 h THR 97 N 0.00 1.45 -0.02 0.22 2.02 0.52 -2.87 112.91 114.23 1ni7 h THR 97 Ca 0.10 -2.47 -0.18 0.00 0.77 0.00 0.00 66.41 64.62 1ni7 h THR 97 Cb 0.41 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1ni7 h THR 97 CO -0.00 0.73 -0.78 0.00 0.37 0.00 0.00 175.52 175.84 1ni7 h ALA 98 N 0.92 0.64 -0.81 6.16 0.00 0.46 -2.97 119.26 123.66 1ni7 h ALA 98 Ca -0.05 -0.66 -0.46 0.00 0.00 0.00 0.00 54.91 53.74 1ni7 h ALA 98 Cb 1.48 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.94 1ni7 h ALA 98 CO 0.14 0.86 0.59 1.33 0.00 0.00 0.00 179.25 182.16 1ni7 n VAL 99 N -3.73 2.95 -1.54 0.00 0.24 0.54 -4.85 118.33 111.95 1ni7 n VAL 99 Ca -0.03 -1.83 -0.42 0.00 -2.04 0.00 0.00 64.34 60.02 1ni7 n VAL 99 Cb 0.74 -0.76 -0.05 0.00 -1.47 0.00 0.00 33.84 32.30 1ni7 n VAL 99 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1ni7 n GLU 100 N -0.73 1.21 -3.89 7.34 0.28 -1.09 -2.64 120.64 121.11 1ni7 n GLU 100 Ca 0.49 0.21 -0.27 0.00 -0.16 0.00 0.00 57.16 57.44 1ni7 n GLU 100 Cb 1.21 -3.00 -0.07 0.00 1.43 0.00 0.00 31.44 31.01 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ni7 n GLY 101 N 6.11 -0.15 3.90 -1.84 0.00 -1.25 -4.87 105.19 107.08 1ni7 n GLY 101 Ca 0.39 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 -6.24 3.60 0.26 1.61 1.02 -1.08 -4.59 119.74 114.32 1ni7 s LYS 102 Ca 0.18 -0.12 -0.15 0.00 0.02 0.00 0.00 55.97 55.90 1ni7 s LYS 102 Cb -0.10 -2.82 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 1ni7 s LYS 102 CO 0.78 0.42 0.68 0.95 -0.92 0.00 0.00 175.35 177.26 1ni7 s THR 103 N -1.75 4.72 0.23 2.17 -4.23 -1.26 -2.78 115.64 112.73 1ni7 s THR 103 Ca 0.41 0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 61.68 1ni7 s THR 103 Cb -0.12 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.28 1ni7 s THR 103 CO 0.26 -0.02 1.56 0.00 -0.54 0.00 0.00 174.62 175.88 1ni7 h ALA 104 N 2.75 0.18 0.10 3.99 0.00 -1.91 0.55 119.26 124.91 1ni7 h ALA 104 Ca -0.48 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ni7 h ALA 104 Cb 1.18 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1ni7 h ALA 104 CO 0.66 -0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.08 1ni7 h ALA 105 N 1.38 -0.80 -0.89 0.00 0.00 -1.93 0.52 119.26 117.54 1ni7 h ALA 105 Ca 0.34 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.41 1ni7 h ALA 105 Cb 0.60 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1ni7 h ALA 105 CO -0.93 -0.84 -0.03 0.93 0.00 0.00 0.00 179.25 178.38 1ni7 h GLU 106 N -0.36 0.05 -0.65 0.00 4.39 -1.42 1.09 114.58 117.69 1ni7 h GLU 106 Ca -0.01 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.78 1ni7 h GLU 106 Cb 0.34 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1ni7 h GLU 106 CO -0.09 0.03 0.27 -0.07 -1.16 0.00 0.00 179.01 177.99 1ni7 h LEU 107 N 0.05 0.31 -1.32 1.33 3.38 0.79 1.67 115.31 121.51 1ni7 h LEU 107 Ca 0.50 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.51 1ni7 h LEU 107 Cb 0.93 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1ni7 h LEU 107 CO -0.83 0.18 0.06 1.56 0.09 0.00 0.00 178.44 179.50 1ni7 h GLN 108 N 0.47 0.52 0.00 1.13 4.20 0.34 -0.62 115.11 121.15 1ni7 h GLN 108 Ca 0.33 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ni7 h GLN 108 Cb 0.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ni7 h GLN 108 CO -0.30 0.50 -0.36 0.00 -0.67 0.00 0.00 178.83 178.01 1ni7 n ALA 109 N -2.48 2.69 -3.98 3.87 0.00 0.44 -4.88 120.51 116.17 1ni7 n ALA 109 Ca 0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1ni7 n ALA 109 Cb 0.20 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1ni7 n ALA 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ni7 n GLN 110 N -2.11 1.38 -3.64 0.00 1.13 0.54 -5.06 117.38 109.62 1ni7 n GLN 110 Ca 0.04 -1.32 -0.06 0.00 -1.94 0.00 0.00 57.00 53.72 1ni7 n GLN 110 Cb 0.43 0.26 -0.07 0.00 0.11 0.00 0.00 30.24 30.96 1ni7 n GLN 110 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ni7 s SER 111 N -2.10 -0.74 0.30 1.08 0.01 -1.25 -4.79 113.70 106.20 1ni7 s SER 111 Ca 0.05 1.22 0.15 0.00 1.31 0.00 0.00 55.95 58.68 1ni7 s SER 111 Cb -0.00 1.29 0.37 0.00 0.21 0.00 0.00 66.02 67.88 1ni7 s SER 111 CO 0.03 -0.20 1.59 1.55 0.41 0.00 0.00 173.24 176.63 1ni7 h PRO 112 N 6.26 0.00 -0.29 12.44 0.13 -1.91 -2.99 132.00 145.64 1ni7 h PRO 112 Ca -0.29 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.92 1ni7 h PRO 112 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ni7 h PRO 112 CO 0.16 0.53 0.30 -0.07 -0.23 0.00 0.00 178.00 178.69 1ni7 h LEU 113 N 0.00 0.00 0.42 1.56 3.38 -1.96 -0.65 115.31 118.07 1ni7 h LEU 113 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ni7 h LEU 113 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ni7 h LEU 113 CO 0.07 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.40 1ni7 h ALA 114 N 1.67 -0.57 -0.53 1.53 0.00 -1.95 -0.41 119.26 119.00 1ni7 h ALA 114 Ca 0.14 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1ni7 h ALA 114 Cb 0.74 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1ni7 h ALA 114 CO -0.00 -0.79 -0.14 1.25 0.00 0.00 0.00 179.25 179.56 1ni7 h LEU 115 N -0.63 -0.53 0.08 0.00 5.85 -1.30 1.45 115.31 120.23 1ni7 h LEU 115 Ca -0.06 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1ni7 h LEU 115 Cb 0.47 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1ni7 h LEU 115 CO 0.10 -0.19 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.44 1ni7 h PHE 116 N -0.02 -0.85 -0.94 1.25 0.04 -1.30 0.57 116.94 115.71 1ni7 h PHE 116 Ca 0.25 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 1ni7 h PHE 116 Cb 0.40 0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 1ni7 h PHE 116 CO -0.45 -0.41 0.55 0.22 -0.60 0.00 0.00 178.31 177.61 1ni7 h ASP 117 N -0.51 1.14 0.13 2.17 1.82 0.09 1.92 116.42 123.19 1ni7 h ASP 117 Ca 0.04 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1ni7 h ASP 117 Cb 0.56 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1ni7 h ASP 117 CO -0.21 0.89 -0.11 -0.33 -1.61 0.00 0.00 179.24 177.86 1ni7 h GLU 118 N 1.30 -0.25 0.00 0.28 4.39 0.29 -2.01 114.58 118.57 1ni7 h GLU 118 Ca 0.33 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.99 1ni7 h GLU 118 Cb -0.03 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ni7 h GLU 118 CO -0.06 -0.17 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.24 1ni7 h LEU 119 N -0.26 0.00 0.00 1.33 3.38 0.48 -3.47 115.31 116.77 1ni7 h LEU 119 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ni7 h LEU 119 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ni7 h LEU 119 CO -0.02 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1ni7 n GLY 120 N 0.44 1.10 0.16 0.83 0.00 0.48 -4.95 105.19 103.25 1ni7 n GLY 120 Ca 0.01 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni7 n LEU 121 N 0.00 0.50 -1.26 0.99 4.77 0.54 -3.53 117.00 119.01 1ni7 n LEU 121 Ca 0.00 -0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 55.74 1ni7 n LEU 121 Cb 0.06 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1ni7 n LEU 121 CO 0.00 0.10 0.29 -1.14 -1.33 0.00 0.00 177.39 175.31 1ni7 n ARG 122 N -0.50 0.12 0.28 3.23 0.63 -1.20 -4.82 116.66 114.40 1ni7 n ARG 122 Ca 0.17 -1.31 -0.15 0.00 -0.92 0.00 0.00 57.85 55.64 1ni7 n ARG 122 Cb 0.16 0.33 -0.08 0.00 0.45 0.00 0.00 32.46 33.32 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 0.36 -0.72 0.00 5.13 0.00 -1.82 -3.34 119.26 118.86 1ni7 h ALA 123 Ca -0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1ni7 h ALA 123 Cb 1.52 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1ni7 h ALA 123 CO -0.18 -0.80 -0.18 0.94 0.00 0.00 0.00 179.25 179.02 1ni7 n GLN 124 N -5.32 1.11 -1.68 0.00 7.27 -1.26 -5.06 117.38 112.44 1ni7 n GLN 124 Ca -0.12 -2.46 -0.60 0.00 0.07 0.00 0.00 57.00 53.89 1ni7 n GLN 124 Cb 0.33 -1.33 -0.08 0.00 2.41 0.00 0.00 30.24 31.56 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ni7 n LEU 125 N -1.13 1.70 -4.16 1.69 4.77 -1.25 -4.76 117.00 113.85 1ni7 n LEU 125 Ca 0.14 1.12 -0.40 0.00 -0.03 0.00 0.00 56.01 56.84 1ni7 n LEU 125 Cb 0.67 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1ni7 n LEU 125 CO -0.00 -0.79 -0.47 -0.24 -1.33 0.00 0.00 177.39 174.56 1ni7 n SER 126 N 4.18 -2.97 -0.18 -1.43 2.88 -1.26 -4.11 113.62 110.74 1ni7 n SER 126 Ca 0.26 0.75 -0.10 0.00 -1.33 0.00 0.00 58.87 58.45 1ni7 n SER 126 Cb 0.08 -0.85 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ni7 h ALA 127 N 0.24 -0.62 -0.70 -1.46 0.00 -1.99 0.54 119.26 115.27 1ni7 h ALA 127 Ca -0.37 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1ni7 h ALA 127 Cb 1.41 1.12 -0.12 0.00 0.00 0.00 0.00 17.79 20.20 1ni7 h ALA 127 CO 0.44 -0.87 -0.44 1.03 0.00 0.00 0.00 179.25 179.42 1ni7 h SER 128 N -0.23 -1.55 -0.13 0.00 0.87 -2.00 0.99 113.55 111.51 1ni7 h SER 128 Ca 0.08 0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 1ni7 h SER 128 Cb 0.43 0.72 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 1ni7 h SER 128 CO -0.56 -0.31 -0.27 0.03 -0.53 0.00 0.00 176.83 175.19 1ni7 h ARG 129 N -0.16 -0.33 -0.60 2.24 -0.00 -1.33 -1.97 114.38 112.23 1ni7 h ARG 129 Ca 0.21 0.02 0.10 0.00 -0.50 0.00 0.00 59.98 59.81 1ni7 h ARG 129 Cb 0.55 0.07 -0.11 0.00 0.00 0.00 0.00 29.97 30.48 1ni7 h ARG 129 CO -0.77 -0.22 -0.38 0.77 0.00 0.00 0.00 179.97 179.37 1ni7 h SER 130 N -0.34 -1.30 -0.74 7.04 0.02 0.23 1.29 113.55 119.75 1ni7 h SER 130 Ca 0.10 0.24 0.21 0.00 -0.84 0.00 0.00 61.79 61.50 1ni7 h SER 130 Cb 0.49 0.62 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1ni7 h SER 130 CO -0.32 -0.32 0.62 -0.61 -1.14 0.00 0.00 176.83 175.06 1ni7 h GLN 131 N -0.19 0.00 0.14 3.45 5.75 -0.24 0.30 115.11 124.32 1ni7 h GLN 131 Ca 0.21 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1ni7 h GLN 131 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1ni7 h GLN 131 CO -0.69 0.00 -0.07 0.78 -2.65 0.00 0.00 178.83 176.20 1ni7 h GLY 132 N 0.00 -0.20 0.09 2.39 0.00 0.22 -1.84 103.07 103.73 1ni7 h GLY 132 Ca 0.35 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1ni7 h GLY 132 CO -0.00 -0.07 -0.27 1.41 0.00 0.00 0.00 176.54 177.61 1ni7 h LEU 133 N -0.61 -0.86 0.04 3.11 3.38 -0.31 0.26 115.31 120.32 1ni7 h LEU 133 Ca -0.02 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1ni7 h LEU 133 Cb 0.46 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1ni7 h LEU 133 CO 0.03 -0.30 -0.46 0.78 0.09 0.00 0.00 178.44 178.58 1ni7 h ASN 134 N -0.27 -1.40 -0.25 -0.43 2.35 -1.46 0.12 115.58 114.24 1ni7 h ASN 134 Ca 0.14 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 56.08 1ni7 h ASN 134 Cb 0.49 0.53 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 1ni7 h ASN 134 CO -0.41 -0.50 -0.45 0.00 -1.65 0.00 0.00 177.43 174.42 1ni7 h ALA 135 N -0.22 -0.74 -0.76 -0.83 0.00 -0.52 0.73 119.26 116.92 1ni7 h ALA 135 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ni7 h ALA 135 Cb 0.69 1.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.38 1ni7 h ALA 135 CO -0.31 -0.94 -0.54 -0.07 0.00 0.00 0.00 179.25 177.39 1ni7 h LEU 136 N -0.38 -1.93 -0.34 0.00 3.38 -0.05 0.26 115.31 116.24 1ni7 h LEU 136 Ca 0.05 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.38 1ni7 h LEU 136 Cb 0.51 0.85 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 1ni7 h LEU 136 CO -0.44 -0.30 -0.16 -1.28 0.09 0.00 0.00 178.44 176.34 1ni7 h SER 137 N -0.16 -0.55 -1.19 -0.43 0.87 0.38 0.19 113.55 112.67 1ni7 h SER 137 Ca 0.15 0.13 0.35 0.00 -1.23 0.00 0.00 61.79 61.19 1ni7 h SER 137 Cb 0.50 0.30 -0.10 0.00 -0.44 0.00 0.00 62.40 62.67 1ni7 h SER 137 CO -0.80 -0.20 0.79 -0.33 -0.53 0.00 0.00 176.83 175.76 1ni7 h GLU 138 N -0.10 0.21 -0.76 2.24 4.39 0.38 1.45 114.58 122.38 1ni7 h GLU 138 Ca 0.17 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.98 1ni7 h GLU 138 Cb 0.37 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 1ni7 h GLU 138 CO -0.41 0.14 0.50 0.00 -1.16 0.00 0.00 179.01 178.08 1ni7 h ALA 139 N 1.56 1.90 -0.04 3.43 0.00 0.10 0.17 119.26 126.38 1ni7 h ALA 139 Ca 0.68 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.34 1ni7 h ALA 139 Cb 2.06 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.75 1ni7 h ALA 139 CO -0.28 -0.08 -0.91 0.82 0.00 0.00 0.00 179.25 178.80 1ni7 h ILE 140 N 0.59 1.30 0.21 0.00 1.08 0.20 -2.80 117.51 118.08 1ni7 h ILE 140 Ca 0.36 -2.14 0.01 0.00 -0.39 0.00 0.00 64.86 62.70 1ni7 h ILE 140 Cb 0.60 2.29 -0.02 0.00 -3.07 0.00 0.00 36.82 36.62 1ni7 h ILE 140 CO -0.13 0.66 -0.26 0.40 -0.69 0.00 0.00 178.15 178.13 1ni7 h ILE 141 N 0.37 0.45 -0.86 -0.67 1.08 -0.40 1.17 117.51 118.64 1ni7 h ILE 141 Ca -0.10 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.53 1ni7 h ILE 141 Cb 1.56 0.45 -0.07 0.00 -3.07 0.00 0.00 36.82 35.69 1ni7 h ILE 141 CO 0.18 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.20 1ni7 h ALA 142 N 0.16 1.98 -0.05 1.87 0.00 -0.83 1.56 119.26 123.95 1ni7 h ALA 142 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ni7 h ALA 142 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ni7 h ALA 142 CO -0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 179.25 178.83 1ni7 h ALA 143 N 1.61 0.08 -0.48 0.00 0.00 -0.87 -3.05 119.26 116.55 1ni7 h ALA 143 Ca 0.44 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ni7 h ALA 143 Cb 0.86 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ni7 h ALA 143 CO -0.18 -0.05 0.21 1.79 0.00 0.00 0.00 179.25 181.02 1ni7 h THR 144 N -0.37 1.20 -1.03 0.00 1.35 0.31 -2.15 112.91 112.22 1ni7 h THR 144 Ca -0.00 -0.59 0.26 0.00 -0.55 0.00 0.00 66.41 65.53 1ni7 h THR 144 Cb 0.70 0.70 -0.11 0.00 -1.73 0.00 0.00 68.15 67.71 1ni7 h THR 144 CO 0.02 0.23 0.63 0.11 -0.25 0.00 0.00 175.52 176.26 1ni7 h LYS 145 N 0.63 0.47 0.70 4.72 1.57 0.21 0.54 116.57 125.41 1ni7 h LYS 145 Ca 0.16 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1ni7 h LYS 145 Cb 0.16 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ni7 h LYS 145 CO -0.02 0.31 -0.34 0.37 -0.57 0.00 0.00 179.45 179.21 1ni7 h GLN 146 N 0.48 -0.90 0.07 3.15 -0.00 -1.28 -0.62 115.11 116.00 1ni7 h GLN 146 Ca 0.63 0.06 0.02 0.00 -0.00 0.00 0.00 58.65 59.37 1ni7 h GLN 146 Cb 1.39 0.21 -0.05 0.00 0.00 0.00 0.00 27.48 29.03 1ni7 h GLN 146 CO -0.40 -0.58 -0.41 0.28 0.00 0.00 0.00 178.83 177.71 1ni7 h VAL 147 N -1.20 0.17 -1.05 2.39 2.07 -0.86 0.11 116.25 117.89 1ni7 h VAL 147 Ca -0.10 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.69 1ni7 h VAL 147 Cb 0.74 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 1ni7 h VAL 147 CO 0.16 0.00 0.67 -0.07 0.02 0.00 0.00 177.57 178.34 1ni7 h LEU 148 N -0.61 0.47 0.00 2.57 3.38 -0.03 -3.51 115.31 117.57 1ni7 h LEU 148 Ca 0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ni7 h LEU 148 Cb 0.66 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ni7 h LEU 148 CO -0.27 0.08 0.00 -0.62 0.09 0.00 0.00 178.44 177.72