#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 -0.33 2.03 -1.32 -1.26 -5.13 115.64 109.63 1ni7 s THR 2 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1ni7 s THR 2 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1ni7 s THR 2 CO 0.00 0.00 0.05 0.21 -2.21 0.00 0.00 174.62 172.67 1ni7 s ASN 3 N -2.33 4.96 -1.18 8.08 2.47 -1.26 -5.03 114.94 120.65 1ni7 s ASN 3 Ca 0.05 -1.56 -0.21 0.00 0.42 0.00 0.00 52.86 51.56 1ni7 s ASN 3 Cb -0.01 -1.73 -0.00 0.00 -1.45 0.00 0.00 41.25 38.06 1ni7 s ASN 3 CO -0.07 -0.34 1.80 -2.16 -3.72 0.00 0.00 177.10 172.60 1ni7 s PRO 4 N 1.19 3.22 -0.24 0.43 0.04 -1.26 -4.86 135.00 133.53 1ni7 s PRO 4 Ca -0.00 -1.41 -0.02 0.00 0.04 0.00 0.00 61.00 59.60 1ni7 s PRO 4 Cb -0.20 -5.36 0.08 0.00 0.04 0.00 0.00 34.50 29.05 1ni7 s PRO 4 CO -0.03 -3.03 0.06 -0.65 0.04 0.00 0.00 177.00 173.39 1ni7 s GLN 5 N 5.46 0.65 0.29 4.56 -1.52 -1.26 -5.11 119.66 122.73 1ni7 s GLN 5 Ca 0.60 -0.63 -0.20 0.00 -1.95 0.00 0.00 55.36 53.18 1ni7 s GLN 5 Cb 0.01 -2.00 0.05 0.00 -0.22 0.00 0.00 33.01 30.85 1ni7 s GLN 5 CO 0.07 -0.77 0.84 -0.59 -0.25 0.00 0.00 175.29 174.59 1ni7 s PHE 6 N 1.80 -0.01 -0.28 0.91 -0.71 -1.26 -5.18 117.98 113.25 1ni7 s PHE 6 Ca 0.03 -0.51 -0.19 0.00 -1.04 0.00 0.00 56.93 55.22 1ni7 s PHE 6 Cb -0.17 0.75 0.12 0.00 -1.21 0.00 0.00 43.02 42.51 1ni7 s PHE 6 CO -0.16 -1.27 0.91 0.00 -1.34 0.00 0.00 175.22 173.37 1ni7 s ALA 7 N -2.86 -2.08 0.00 1.99 0.00 -1.26 -5.11 121.76 112.44 1ni7 s ALA 7 Ca 0.15 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.26 1ni7 s ALA 7 Cb -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1ni7 s ALA 7 CO 0.08 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1ni7 n GLY 8 N 3.38 0.41 1.65 0.00 0.00 -1.26 -5.00 105.19 104.37 1ni7 n GLY 8 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.83 -3.56 0.73 1.61 8.25 -1.26 -4.79 115.22 115.36 1ni7 n HIS 9 Ca 0.00 2.15 0.11 0.00 -0.26 0.00 0.00 57.72 59.71 1ni7 n HIS 9 Cb 0.00 -3.23 0.46 0.00 1.12 0.00 0.00 29.99 28.35 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 1.36 0.02 -2.16 -0.41 -0.04 -1.26 -4.49 135.00 128.02 1ni7 n PRO 10 Ca 0.00 0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 1ni7 n PRO 10 Cb 0.00 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 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 -3.02 1.88 0.00 0.54 0.08 -1.26 -2.06 117.98 114.15 1ni7 s PHE 11 Ca 0.10 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.60 1ni7 s PHE 11 Cb 0.14 -4.20 0.00 0.00 -0.57 0.00 0.00 43.02 38.39 1ni7 s PHE 11 CO 0.41 -2.03 0.00 0.41 -0.10 0.00 0.00 175.22 173.91 1ni7 n GLY 12 N 6.24 1.21 0.00 4.36 0.00 0.16 -3.23 105.19 113.93 1ni7 n GLY 12 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ni7 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ni7 n THR 13 N 0.00 0.00 -0.06 2.61 -1.04 -0.96 -4.58 114.28 110.26 1ni7 n THR 13 Ca 0.00 0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1ni7 n THR 13 Cb 0.00 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.65 1ni7 n THR 13 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1ni7 h THR 14 N 0.00 1.28 -3.47 12.58 1.35 -1.80 -3.41 112.91 119.44 1ni7 h THR 14 Ca 0.00 -1.73 -0.66 0.00 -0.55 0.00 0.00 66.41 63.47 1ni7 h THR 14 Cb 0.00 1.64 -0.27 0.00 -1.73 0.00 0.00 68.15 67.79 1ni7 h THR 14 CO 0.00 0.56 -0.70 0.68 -0.25 0.00 0.00 175.52 175.81 1ni7 s VAL 15 N -4.12 3.58 0.37 6.82 -7.23 -0.87 -4.92 120.40 114.03 1ni7 s VAL 15 Ca -0.10 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1ni7 s VAL 15 Cb 0.11 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 1ni7 s VAL 15 CO 0.88 0.36 0.03 0.42 -0.31 0.00 0.00 175.10 176.48 1ni7 s THR 16 N 1.50 1.64 0.59 5.32 -4.23 -1.26 0.36 115.64 119.55 1ni7 s THR 16 Ca 0.05 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.86 1ni7 s THR 16 Cb -0.15 -2.91 0.42 0.00 1.34 0.00 0.00 72.50 71.21 1ni7 s THR 16 CO -0.02 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.77 1ni7 h ALA 17 N 1.92 2.59 0.13 3.99 0.00 -1.93 0.65 119.26 126.61 1ni7 h ALA 17 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1ni7 h ALA 17 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ni7 h ALA 17 CO 0.76 -1.17 -0.06 1.49 0.00 0.00 0.00 179.25 180.27 1ni7 h GLU 18 N 0.00 -0.17 -0.75 0.00 4.81 -1.98 -2.59 114.58 113.91 1ni7 h GLU 18 Ca 0.37 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1ni7 h GLU 18 Cb 1.91 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.28 1ni7 h GLU 18 CO -0.00 0.05 0.49 1.15 -0.73 0.00 0.00 179.01 179.96 1ni7 h THR 19 N -1.02 1.00 0.67 0.32 2.02 -1.22 0.83 112.91 115.52 1ni7 h THR 19 Ca -0.02 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1ni7 h THR 19 Cb 0.29 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1ni7 h THR 19 CO 0.03 0.14 -0.32 -0.07 0.37 0.00 0.00 175.52 175.66 1ni7 h LEU 20 N 0.75 -0.76 -2.10 2.58 3.38 0.08 -1.61 115.31 117.63 1ni7 h LEU 20 Ca 0.33 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ni7 h LEU 20 Cb 0.31 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ni7 h LEU 20 CO -0.11 -0.51 0.00 0.08 0.09 0.00 0.00 178.44 177.99 1ni7 h ARG 21 N -0.95 0.00 -0.06 1.13 0.11 -1.00 0.46 114.38 114.07 1ni7 h ARG 21 Ca -0.09 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.84 1ni7 h ARG 21 Cb 0.71 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 1ni7 h ARG 21 CO 0.15 0.00 -0.61 -0.97 0.10 0.00 0.00 179.97 178.64 1ni7 h ASN 22 N 0.00 0.24 0.49 0.08 -0.73 0.10 1.59 115.58 117.34 1ni7 h ASN 22 Ca 0.00 -0.14 -0.30 0.00 1.87 0.00 0.00 56.30 57.74 1ni7 h ASN 22 Cb 0.10 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 1ni7 h ASN 22 CO 0.00 0.79 -1.54 0.74 -0.37 0.00 0.00 177.43 177.04 1ni7 h THR 23 N 0.15 1.12 0.00 -3.57 2.02 -0.39 -3.34 112.91 108.90 1ni7 h THR 23 Ca -0.01 -2.81 -0.18 0.00 0.77 0.00 0.00 66.41 64.19 1ni7 h THR 23 Cb 1.11 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 70.18 1ni7 h THR 23 CO 0.09 0.79 -1.10 -0.26 0.37 0.00 0.00 175.52 175.41 1ni7 h PHE 24 N 0.05 0.00 -0.93 3.16 0.04 -1.24 -3.26 116.94 114.76 1ni7 h PHE 24 Ca -0.24 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.67 1ni7 h PHE 24 Cb 1.99 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 40.00 1ni7 h PHE 24 CO 0.05 0.73 -0.39 0.00 -0.60 0.00 0.00 178.31 178.09 1ni7 n ALA 25 N -2.36 -0.18 -0.03 2.45 0.00 0.54 -0.92 120.51 120.01 1ni7 n ALA 25 Ca -0.05 0.91 -0.15 0.00 0.00 0.00 0.00 53.44 54.15 1ni7 n ALA 25 Cb 0.87 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 0.14 -5.41 0.00 0.13 -1.76 -3.40 132.00 121.70 1ni7 h PRO 26 Ca 0.30 -0.14 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 1ni7 h PRO 26 Cb 0.53 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1ni7 h PRO 26 CO -0.92 0.85 0.38 -0.51 -0.23 0.00 0.00 178.00 177.58 1ni7 s LEU 27 N -8.62 2.86 0.25 1.56 1.43 -0.10 -4.65 118.68 111.41 1ni7 s LEU 27 Ca -0.16 -0.64 0.15 0.00 -1.03 0.00 0.00 54.13 52.46 1ni7 s LEU 27 Cb 0.01 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.69 1ni7 s LEU 27 CO 0.73 -3.66 1.35 0.74 0.23 0.00 0.00 176.35 175.74 1ni7 h THR 28 N 7.13 0.80 -3.32 5.49 2.02 -1.78 -3.44 112.91 119.81 1ni7 h THR 28 Ca 0.06 -2.17 -0.57 0.00 0.77 0.00 0.00 66.41 64.50 1ni7 h THR 28 Cb 0.99 2.36 -0.05 0.00 -1.74 0.00 0.00 68.15 69.71 1ni7 h THR 28 CO 1.10 0.46 1.05 -1.10 0.37 0.00 0.00 175.52 177.40 1ni7 s GLN 29 N -2.96 3.60 0.51 6.66 -0.21 -1.26 -4.84 119.66 121.15 1ni7 s GLN 29 Ca 0.03 0.90 0.35 0.00 0.02 0.00 0.00 55.36 56.66 1ni7 s GLN 29 Cb 0.08 -4.01 1.49 0.00 1.00 0.00 0.00 33.01 31.57 1ni7 s GLN 29 CO 0.76 -1.54 1.74 2.35 -2.12 0.00 0.00 175.29 176.48 1ni7 h TRP 30 N 10.50 0.18 -0.93 0.91 2.91 -1.98 1.35 115.95 128.90 1ni7 h TRP 30 Ca -0.27 0.01 0.11 0.00 1.13 0.00 0.00 58.89 59.87 1ni7 h TRP 30 Cb 1.10 -0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 29.62 1ni7 h TRP 30 CO 0.97 -0.02 0.56 1.49 -1.03 0.00 0.00 178.44 180.41 1ni7 h GLU 31 N 0.08 0.88 0.50 2.65 4.22 -1.96 0.65 114.58 121.61 1ni7 h GLU 31 Ca 0.67 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 60.03 1ni7 h GLU 31 Cb 2.43 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1ni7 h GLU 31 CO -0.11 0.58 -0.24 -0.44 -2.18 0.00 0.00 179.01 176.62 1ni7 h ASP 32 N 0.91 -0.57 -0.50 1.04 3.32 0.14 -1.04 116.42 119.71 1ni7 h ASP 32 Ca 0.45 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.49 1ni7 h ASP 32 Cb 0.43 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 1ni7 h ASP 32 CO -0.26 -0.21 -0.56 0.11 -1.72 0.00 0.00 179.24 176.60 1ni7 h LYS 33 N -0.99 -0.32 -0.05 3.56 1.57 -1.21 1.36 116.57 120.49 1ni7 h LYS 33 Ca -0.07 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ni7 h LYS 33 Cb 0.61 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ni7 h LYS 33 CO 0.11 -0.21 0.15 -0.92 -0.57 0.00 0.00 179.45 178.01 1ni7 h TYR 34 N -0.33 0.00 0.08 -1.35 3.20 -0.91 0.88 116.97 118.53 1ni7 h TYR 34 Ca 0.09 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ni7 h TYR 34 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1ni7 h TYR 34 CO -0.78 0.00 -0.04 -0.09 -1.64 0.00 0.00 178.16 175.61 1ni7 h ARG 35 N 0.00 -0.10 -0.48 1.82 2.43 0.30 -3.24 114.38 115.10 1ni7 h ARG 35 Ca 0.02 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 1ni7 h ARG 35 Cb 0.32 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ni7 h ARG 35 CO -0.00 -0.07 0.36 0.37 -1.51 0.00 0.00 179.97 179.12 1ni7 h GLN 36 N -0.32 0.00 -0.36 0.20 -0.00 -0.42 -1.00 115.11 113.22 1ni7 h GLN 36 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.72 1ni7 h GLN 36 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.49 1ni7 h GLN 36 CO 0.02 0.00 -0.17 -0.07 0.00 0.00 0.00 178.83 178.61 1ni7 h LEU 37 N 0.00 -0.58 -1.03 -2.39 3.38 -0.91 0.34 115.31 114.13 1ni7 h LEU 37 Ca 0.23 0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.57 1ni7 h LEU 37 Cb 0.95 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.89 1ni7 h LEU 37 CO -0.00 -0.20 0.61 0.40 0.09 0.00 0.00 178.44 179.33 1ni7 h ILE 38 N -0.11 0.59 0.00 1.22 5.03 -1.20 0.96 117.51 124.01 1ni7 h ILE 38 Ca 0.18 -0.22 -0.10 0.00 -0.12 0.00 0.00 64.86 64.60 1ni7 h ILE 38 Cb 0.38 -0.09 -0.01 0.00 -3.03 0.00 0.00 36.82 34.06 1ni7 h ILE 38 CO -0.43 0.11 -0.47 0.24 -0.68 0.00 0.00 178.15 176.93 1ni7 h MET 39 N 0.63 0.00 0.00 2.37 2.86 -0.55 -2.83 114.93 117.41 1ni7 h MET 39 Ca 0.62 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.26 1ni7 h MET 39 Cb 1.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1ni7 h MET 39 CO -0.43 0.47 -0.00 -0.07 1.06 0.00 0.00 176.91 177.94 1ni7 h LEU 40 N 0.00 0.00 0.09 1.22 3.38 0.43 -1.99 115.31 118.44 1ni7 h LEU 40 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1ni7 h LEU 40 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ni7 h LEU 40 CO 0.06 0.00 -0.93 1.23 0.09 0.00 0.00 178.44 178.89 1ni7 h GLY 41 N 0.00 0.22 -0.27 0.83 0.00 -1.23 -3.35 103.07 99.28 1ni7 h GLY 41 Ca -0.00 -0.57 0.17 0.00 0.00 0.00 0.00 47.33 46.93 1ni7 h GLY 41 CO 0.00 0.50 0.07 0.50 0.00 0.00 0.00 176.54 177.61 1ni7 h LYS 42 N -0.52 0.15 -0.80 4.80 1.79 -1.35 0.28 116.57 120.91 1ni7 h LYS 42 Ca -0.20 -0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.45 1ni7 h LYS 42 Cb 1.54 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 32.01 1ni7 h LYS 42 CO 0.05 0.10 -0.02 1.96 -1.08 0.00 0.00 179.45 180.46 1ni7 h GLN 43 N 0.15 0.07 -6.65 3.15 4.20 -1.59 -3.40 115.11 111.05 1ni7 h GLN 43 Ca 0.42 -0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.54 1ni7 h GLN 43 Cb 0.74 -0.02 0.10 0.00 0.30 0.00 0.00 27.48 28.61 1ni7 h GLN 43 CO -0.61 0.05 0.46 -0.11 -0.67 0.00 0.00 178.83 177.95 1ni7 n LEU 44 N -5.39 3.08 -4.81 1.46 7.94 0.98 -4.94 117.00 115.31 1ni7 n LEU 44 Ca 0.15 1.18 -0.32 0.00 -1.11 0.00 0.00 56.01 55.91 1ni7 n LEU 44 Cb 0.51 -1.43 0.02 0.00 0.53 0.00 0.00 43.42 43.05 1ni7 n LEU 44 CO 0.02 -0.67 0.71 -2.16 -1.11 0.00 0.00 177.39 174.18 1ni7 s PRO 45 N -1.40 3.28 -0.55 1.96 0.04 -1.26 -4.92 135.00 132.14 1ni7 s PRO 45 Ca 0.60 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 1ni7 s PRO 45 Cb -0.62 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1ni7 s PRO 45 CO 0.58 -0.84 2.12 0.00 0.04 0.00 0.00 177.00 178.90 1ni7 s ALA 46 N -2.63 1.92 -0.18 8.56 0.00 -1.26 -4.89 121.76 123.28 1ni7 s ALA 46 Ca 0.62 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1ni7 s ALA 46 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.60 1ni7 s ALA 46 CO 0.41 -4.15 1.88 -1.17 0.00 0.00 0.00 175.76 172.73 1ni7 s LEU 47 N 10.52 3.83 0.40 0.00 2.96 -1.26 -4.95 118.68 130.18 1ni7 s LEU 47 Ca 0.82 1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 56.36 1ni7 s LEU 47 Cb -0.15 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 1ni7 s LEU 47 CO 0.23 -1.47 1.05 -2.16 -1.32 0.00 0.00 176.35 172.69 1ni7 s PRO 48 N 5.22 4.15 0.49 0.98 0.04 -1.26 -4.78 135.00 139.83 1ni7 s PRO 48 Ca 0.84 1.52 0.37 0.00 0.04 0.00 0.00 61.00 63.77 1ni7 s PRO 48 Cb -0.31 -2.53 1.53 0.00 0.04 0.00 0.00 34.50 33.23 1ni7 s PRO 48 CO 0.34 -0.16 1.63 -0.44 0.04 0.00 0.00 177.00 178.41 1ni7 h ASP 49 N 2.48 0.15 -0.53 6.66 5.19 -1.98 1.38 116.42 129.77 1ni7 h ASP 49 Ca -0.48 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.08 1ni7 h ASP 49 Cb 1.22 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.74 1ni7 h ASP 49 CO 0.62 -0.10 0.20 -0.08 -3.12 0.00 0.00 179.24 176.76 1ni7 h GLU 50 N 0.06 0.37 -0.15 3.56 4.57 -1.99 0.23 114.58 121.22 1ni7 h GLU 50 Ca 0.82 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.81 1ni7 h GLU 50 Cb 2.88 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 31.40 1ni7 h GLU 50 CO -0.25 0.24 -0.57 -0.07 -1.18 0.00 0.00 179.01 177.18 1ni7 h LEU 51 N 0.38 0.76 -1.34 1.64 -0.00 0.15 -2.95 115.31 113.95 1ni7 h LEU 51 Ca 0.26 -0.61 0.16 0.00 -0.00 0.00 0.00 57.88 57.69 1ni7 h LEU 51 Cb 0.28 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 40.64 1ni7 h LEU 51 CO -0.26 1.25 0.58 0.11 -0.00 0.00 0.00 178.44 180.12 1ni7 h LYS 52 N 0.32 0.59 0.00 1.13 1.57 -0.45 1.15 116.57 120.89 1ni7 h LYS 52 Ca -0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1ni7 h LYS 52 Cb 1.20 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ni7 h LYS 52 CO 0.12 0.39 -0.16 0.00 -0.57 0.00 0.00 179.45 179.23 1ni7 h ALA 53 N 1.61 1.02 0.00 3.86 0.00 -0.46 -2.19 119.26 123.10 1ni7 h ALA 53 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ni7 h ALA 53 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ni7 h ALA 53 CO -0.21 0.20 -0.02 1.96 0.00 0.00 0.00 179.25 181.18 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 0.15 -3.46 115.11 119.30 1ni7 h GLN 54 Ca -0.00 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.70 1ni7 h GLN 54 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.21 1ni7 h GLN 54 CO 0.02 0.00 -0.15 0.00 -1.50 0.00 0.00 178.83 177.20 1ni7 n ALA 55 N -2.05 0.86 -2.89 3.87 0.00 -0.47 -4.73 120.51 115.10 1ni7 n ALA 55 Ca 0.04 -1.82 -0.34 0.00 0.00 0.00 0.00 53.44 51.32 1ni7 n ALA 55 Cb 0.51 0.64 -0.05 0.00 0.00 0.00 0.00 19.45 20.55 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 -4.04 3.45 -0.11 0.00 1.02 0.56 -4.85 119.74 115.78 1ni7 s LYS 56 Ca 0.37 -0.25 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 1ni7 s LYS 56 Cb -0.03 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1ni7 s LYS 56 CO 0.24 0.70 0.89 -2.00 -0.92 0.00 0.00 175.35 174.26 1ni7 s GLU 57 N -1.68 4.40 -0.03 1.68 2.56 -1.26 -1.69 118.70 122.68 1ni7 s GLU 57 Ca 0.24 1.18 0.06 0.00 0.00 0.00 0.00 54.97 56.45 1ni7 s GLU 57 Cb -0.12 -3.53 -0.01 0.00 2.00 0.00 0.00 34.13 32.47 1ni7 s GLU 57 CO 0.15 -0.23 -0.20 0.42 -0.56 0.00 0.00 175.26 174.84 1ni7 s ILE 58 N 1.74 1.64 -0.27 -3.70 1.01 0.54 -4.97 121.20 117.18 1ni7 s ILE 58 Ca 0.44 -0.86 0.22 0.00 0.00 0.00 0.00 60.65 60.44 1ni7 s ILE 58 Cb -0.18 -1.38 0.50 0.00 0.01 0.00 0.00 42.46 41.41 1ni7 s ILE 58 CO 0.17 0.46 1.08 0.00 0.00 0.00 0.00 174.94 176.66 1ni7 n ALA 59 N 2.79 2.78 -2.34 9.38 0.00 -1.26 0.18 120.51 132.04 1ni7 n ALA 59 Ca -0.16 -2.84 -0.22 0.00 0.00 0.00 0.00 53.44 50.22 1ni7 n ALA 59 Cb 0.53 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.49 5.35 2.89 0.00 0.00 -1.26 -4.96 105.19 106.71 1ni7 n GLY 60 Ca 0.08 -2.43 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.48 -0.05 -3.86 0.00 4.71 -1.26 -4.64 120.64 115.05 1ni7 n GLU 62 Ca -0.01 1.29 -0.10 0.00 -0.01 0.00 0.00 57.16 58.33 1ni7 n GLU 62 Cb 0.49 -2.35 0.01 0.00 -1.01 0.00 0.00 31.44 28.59 1ni7 n GLU 62 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1ni7 s ASN 63 N -4.51 0.25 0.40 1.62 0.01 -1.26 -5.00 114.94 106.45 1ni7 s ASN 63 Ca -0.08 -1.28 -0.18 0.00 -0.71 0.00 0.00 52.86 50.61 1ni7 s ASN 63 Cb 0.32 0.83 -0.14 0.00 0.41 0.00 0.00 41.25 42.67 1ni7 s ASN 63 CO 0.74 -1.65 0.01 0.54 -1.51 0.00 0.00 177.10 175.24 1ni7 n ARG 64 N -0.55 0.00 -3.87 -0.60 1.74 -1.26 -4.69 116.66 107.43 1ni7 n ARG 64 Ca -0.07 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 1ni7 n ARG 64 Cb 0.60 -0.91 -0.10 0.00 -1.02 0.00 0.00 32.46 31.03 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 -1.63 0.08 -0.05 1.55 1.01 0.47 -3.55 120.40 118.28 1ni7 s VAL 65 Ca 0.53 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1ni7 s VAL 65 Cb -0.53 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1ni7 s VAL 65 CO 0.58 -0.34 0.12 0.26 0.00 0.00 0.00 175.10 175.72 1ni7 s TRP 66 N -1.24 -0.13 -0.12 5.22 0.51 -0.76 0.20 118.94 122.61 1ni7 s TRP 66 Ca -0.13 0.36 -0.10 0.00 -2.12 0.00 0.00 56.10 54.11 1ni7 s TRP 66 Cb -0.07 -0.01 0.04 0.00 -0.81 0.00 0.00 33.47 32.62 1ni7 s TRP 66 CO 0.01 -0.10 0.32 -1.17 -0.51 0.00 0.00 176.95 175.51 1ni7 s LEU 67 N 0.47 0.65 -0.07 2.99 0.20 -0.68 -0.64 118.68 121.60 1ni7 s LEU 67 Ca -0.03 0.66 -0.06 0.00 0.69 0.00 0.00 54.13 55.39 1ni7 s LEU 67 Cb -0.05 1.09 0.02 0.00 -0.43 0.00 0.00 46.19 46.83 1ni7 s LEU 67 CO -0.02 -0.13 0.19 -0.83 -0.29 0.00 0.00 176.35 175.27 1ni7 s GLY 68 N 0.40 -0.13 0.28 7.98 0.00 -0.83 0.21 107.32 115.23 1ni7 s GLY 68 Ca -0.02 0.58 -0.13 0.00 0.00 0.00 0.00 44.72 45.15 1ni7 s GLY 68 CO -0.02 0.58 0.55 -2.52 0.00 0.00 0.00 173.10 171.69 1ni7 s TYR 69 N 0.30 0.32 -0.24 1.90 1.13 -1.26 0.52 117.35 120.03 1ni7 s TYR 69 Ca -0.02 -0.72 -0.23 0.00 -1.41 0.00 0.00 57.07 54.70 1ni7 s TYR 69 Cb -0.03 0.31 0.06 0.00 -1.10 0.00 0.00 41.96 41.20 1ni7 s TYR 69 CO -0.01 -1.10 0.65 0.95 -2.51 0.00 0.00 175.55 173.52 1ni7 s THR 70 N -3.74 0.00 -0.14 -3.49 -4.23 -1.21 -4.98 115.64 97.84 1ni7 s THR 70 Ca 0.21 -0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.52 1ni7 s THR 70 Cb -0.02 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1ni7 s THR 70 CO 0.10 -0.00 0.56 -0.69 -0.54 0.00 0.00 174.62 174.05 1ni7 s VAL 71 N 0.28 5.11 0.02 2.29 1.01 -1.26 -3.00 120.40 124.86 1ni7 s VAL 71 Ca -0.00 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 1ni7 s VAL 71 Cb -0.04 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ni7 s VAL 71 CO 0.01 0.23 0.03 0.00 0.00 0.00 0.00 175.10 175.38 1ni7 n ALA 72 N 4.24 -0.03 0.01 5.51 0.00 -1.23 -4.89 120.51 124.12 1ni7 n ALA 72 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1ni7 n ALA 72 Cb 0.51 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1ni7 n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni7 h GLU 73 N 0.00 0.00 -0.06 0.00 4.81 -1.97 -2.74 114.58 114.62 1ni7 h GLU 73 Ca -0.01 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1ni7 h GLU 73 Cb 0.03 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ni7 h GLU 73 CO 0.01 0.24 -0.29 -0.97 -0.73 0.00 0.00 179.01 177.27 1ni7 h ASN 74 N -0.24 0.10 0.00 1.04 -1.24 -2.03 -3.46 115.58 109.75 1ni7 h ASN 74 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1ni7 h ASN 74 Cb 0.24 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1ni7 h ASN 74 CO 0.00 0.39 0.00 0.61 -1.29 0.00 0.00 177.43 177.14 1ni7 n GLY 75 N -0.60 1.06 3.43 1.57 0.00 -1.04 -5.05 105.19 104.57 1ni7 n GLY 75 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.01 0.36 -2.64 1.61 5.02 -1.26 -4.07 118.16 117.18 1ni7 n LYS 76 Ca 0.00 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 1ni7 n LYS 76 Cb 0.00 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.02 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 7.58 3.85 -0.20 1.97 -1.94 -1.13 -3.49 119.30 125.95 1ni7 s MET 77 Ca 1.21 0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 55.86 1ni7 s MET 77 Cb -1.09 -2.27 0.06 0.00 2.01 0.00 0.00 34.83 33.54 1ni7 s MET 77 CO 0.50 -0.15 0.04 -1.01 -0.01 0.00 0.00 175.02 174.39 1ni7 s HIS 78 N -2.49 1.04 0.16 -0.03 3.76 -1.16 -4.32 115.29 112.25 1ni7 s HIS 78 Ca 0.55 -0.89 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 1ni7 s HIS 78 Cb -0.10 -1.05 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 1ni7 s HIS 78 CO 0.32 -0.62 0.46 -0.06 -0.85 0.00 0.00 174.74 173.98 1ni7 s PHE 79 N 1.85 3.49 -0.30 1.40 0.40 -1.26 -3.34 117.98 120.22 1ni7 s PHE 79 Ca -0.00 0.77 -0.08 0.00 -0.60 0.00 0.00 56.93 57.02 1ni7 s PHE 79 Cb -0.17 -2.16 0.18 0.00 0.51 0.00 0.00 43.02 41.37 1ni7 s PHE 79 CO -0.09 0.39 0.80 -0.59 0.70 0.00 0.00 175.22 176.43 1ni7 s PHE 80 N -1.65 -1.11 0.00 0.36 -0.71 0.19 -4.96 117.98 110.09 1ni7 s PHE 80 Ca 0.42 1.33 0.00 0.00 -1.04 0.00 0.00 56.93 57.64 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 0.21 -0.60 0.00 0.41 -1.34 0.00 0.00 175.22 173.91 1ni7 n GLY 81 N 5.39 4.98 2.56 1.99 0.00 -1.26 -1.95 105.19 116.89 1ni7 n GLY 81 Ca -0.05 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.27 -3.60 1.61 5.75 0.19 -4.95 116.55 114.28 1ni7 n ASP 82 Ca 0.00 -1.74 -0.04 0.00 -0.01 0.00 0.00 54.79 53.00 1ni7 n ASP 82 Cb 0.00 2.08 -0.02 0.00 -1.03 0.00 0.00 41.12 42.15 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 -2.56 -0.20 -0.12 -1.12 0.15 -1.26 -1.82 113.70 106.76 1ni7 s SER 83 Ca 0.14 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 56.59 1ni7 s SER 83 Cb -0.02 0.28 -0.26 0.00 -1.71 0.00 0.00 66.02 64.31 1ni7 s SER 83 CO 0.05 -0.48 0.41 -0.33 1.20 0.00 0.00 173.24 174.09 1ni7 h GLU 84 N 2.00 0.24 -6.13 5.44 4.39 -1.88 -3.43 114.58 115.22 1ni7 h GLU 84 Ca -0.20 -0.42 -0.57 0.00 0.34 0.00 0.00 59.36 58.52 1ni7 h GLU 84 Cb 1.21 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1ni7 h GLU 84 CO 0.27 1.20 1.37 0.20 -1.16 0.00 0.00 179.01 180.89 1ni7 s GLY 85 N -5.34 0.82 0.30 -3.84 0.00 -1.26 -4.84 107.32 93.16 1ni7 s GLY 85 Ca -0.22 0.79 0.06 0.00 0.00 0.00 0.00 44.72 45.35 1ni7 s GLY 85 CO 0.75 3.58 1.71 0.07 0.00 0.00 0.00 173.10 179.21 1ni7 h ARG 86 N 13.37 0.46 -0.52 2.90 0.11 -1.92 1.25 114.38 130.03 1ni7 h ARG 86 Ca -0.41 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.52 1ni7 h ARG 86 Cb 1.22 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 1ni7 h ARG 86 CO 0.97 0.30 -0.15 0.97 0.10 0.00 0.00 179.97 182.16 1ni7 h ILE 87 N 0.47 1.27 0.30 0.08 -0.00 -1.88 -1.97 117.51 115.78 1ni7 h ILE 87 Ca 0.60 -1.31 -0.01 0.00 -0.00 0.00 0.00 64.86 64.13 1ni7 h ILE 87 Cb 1.15 1.02 0.00 0.00 -0.00 0.00 0.00 36.82 39.00 1ni7 h ILE 87 CO -0.51 0.46 -0.14 0.58 -0.00 0.00 0.00 178.15 178.54 1ni7 h VAL 88 N 0.89 0.71 -0.91 2.19 2.07 -0.18 0.16 116.25 121.17 1ni7 h VAL 88 Ca 0.13 -0.62 0.24 0.00 0.82 0.00 0.00 66.70 67.27 1ni7 h VAL 88 Cb 0.72 1.02 -0.13 0.00 -1.52 0.00 0.00 31.29 31.38 1ni7 h VAL 88 CO 0.06 0.12 0.40 -0.09 0.02 0.00 0.00 177.57 178.07 1ni7 h ARG 89 N -0.75 0.36 -0.12 1.57 2.43 0.12 0.14 114.38 118.13 1ni7 h ARG 89 Ca -0.04 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1ni7 h ARG 89 Cb 0.50 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ni7 h ARG 89 CO 0.07 0.24 -0.26 0.78 -1.51 0.00 0.00 179.97 179.28 1ni7 h GLY 90 N 0.37 0.43 0.02 2.80 0.00 -1.23 -3.21 103.07 102.24 1ni7 h GLY 90 Ca 0.58 -0.52 0.10 0.00 0.00 0.00 0.00 47.33 47.50 1ni7 h GLY 90 CO -0.56 0.46 -0.10 1.41 0.00 0.00 0.00 176.54 177.75 1ni7 h LEU 91 N -0.02 -0.42 -0.76 3.11 3.38 0.18 0.13 115.31 120.91 1ni7 h LEU 91 Ca 0.00 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.29 1ni7 h LEU 91 Cb 0.85 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 1ni7 h LEU 91 CO 0.06 -0.15 0.05 -0.07 0.09 0.00 0.00 178.44 178.41 1ni7 h LEU 92 N 0.02 -0.28 -0.31 1.67 3.38 -0.92 -1.06 115.31 117.82 1ni7 h LEU 92 Ca 0.25 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.43 1ni7 h LEU 92 Cb 0.38 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1ni7 h LEU 92 CO -0.50 -0.16 -0.22 0.00 0.09 0.00 0.00 178.44 177.64 1ni7 h ALA 93 N 1.70 -0.30 -0.75 1.53 0.00 -0.74 1.60 119.26 122.31 1ni7 h ALA 93 Ca 0.42 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.53 1ni7 h ALA 93 Cb 0.76 1.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.47 1ni7 h ALA 93 CO -0.65 -0.44 -0.08 0.28 0.00 0.00 0.00 179.25 178.36 1ni7 h VAL 94 N -0.05 0.30 0.60 0.00 2.07 -1.16 1.08 116.25 119.08 1ni7 h VAL 94 Ca 0.05 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1ni7 h VAL 94 Cb 0.18 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ni7 h VAL 94 CO -0.32 0.01 -0.44 0.25 0.02 0.00 0.00 177.57 177.09 1ni7 h LEU 95 N 0.05 -1.15 -1.98 2.57 6.46 0.35 0.76 115.31 122.38 1ni7 h LEU 95 Ca 0.39 0.08 0.19 0.00 -0.12 0.00 0.00 57.88 58.42 1ni7 h LEU 95 Cb 0.65 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 1ni7 h LEU 95 CO -0.71 -0.63 0.53 -0.07 -0.62 0.00 0.00 178.44 176.93 1ni7 h LEU 96 N -0.99 0.00 -0.09 2.25 4.07 0.37 0.53 115.31 121.45 1ni7 h LEU 96 Ca -0.08 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.64 1ni7 h LEU 96 Cb 0.82 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.57 1ni7 h LEU 96 CO 0.03 0.00 -0.98 0.74 -1.08 0.00 0.00 178.44 177.15 1ni7 h THR 97 N 0.00 1.33 -0.07 0.22 2.02 0.26 -3.12 112.91 113.55 1ni7 h THR 97 Ca 0.31 -2.32 -0.07 0.00 0.77 0.00 0.00 66.41 65.10 1ni7 h THR 97 Cb 1.36 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1ni7 h THR 97 CO -0.00 0.71 -0.30 0.00 0.37 0.00 0.00 175.52 176.29 1ni7 h ALA 98 N 0.57 1.37 -0.72 6.16 0.00 0.55 -1.91 119.26 125.27 1ni7 h ALA 98 Ca -0.10 -0.31 -0.41 0.00 0.00 0.00 0.00 54.91 54.09 1ni7 h ALA 98 Cb 1.63 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 19.12 1ni7 h ALA 98 CO 0.18 0.45 0.52 1.33 0.00 0.00 0.00 179.25 181.74 1ni7 n VAL 99 N -4.14 2.77 -1.53 0.00 0.24 -0.08 -4.84 118.33 110.74 1ni7 n VAL 99 Ca -0.01 -1.64 -0.14 0.00 -2.04 0.00 0.00 64.34 60.50 1ni7 n VAL 99 Cb 0.37 -0.81 -0.11 0.00 -1.47 0.00 0.00 33.84 31.83 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 -0.56 0.37 -4.08 7.34 0.28 -0.72 -2.60 120.64 120.67 1ni7 n GLU 100 Ca 0.44 -0.75 -0.30 0.00 -0.16 0.00 0.00 57.16 56.39 1ni7 n GLU 100 Cb 1.13 -3.09 -0.03 0.00 1.43 0.00 0.00 31.44 30.89 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 6.39 -0.31 3.97 -1.84 0.00 -1.26 -4.94 105.19 107.20 1ni7 n GLY 101 Ca 0.49 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.45 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 -6.76 2.72 0.14 1.61 1.02 -1.07 -4.76 119.74 112.64 1ni7 s LYS 102 Ca 0.31 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1ni7 s LYS 102 Cb -0.17 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1ni7 s LYS 102 CO 0.91 -0.52 0.21 0.95 -0.92 0.00 0.00 175.35 175.98 1ni7 s THR 103 N -2.64 5.01 0.20 2.17 -4.23 -1.26 -2.82 115.64 112.07 1ni7 s THR 103 Ca 0.54 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 60.09 1ni7 s THR 103 Cb -0.10 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.37 1ni7 s THR 103 CO 0.37 -0.06 1.60 0.00 -0.54 0.00 0.00 174.62 176.00 1ni7 h ALA 104 N 2.41 0.16 0.09 3.99 0.00 -1.94 0.29 119.26 124.26 1ni7 h ALA 104 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ni7 h ALA 104 Cb 1.19 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1ni7 h ALA 104 CO 0.67 -0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.11 1ni7 h ALA 105 N 1.27 -0.80 -0.92 0.00 0.00 -1.95 0.09 119.26 116.95 1ni7 h ALA 105 Ca 0.27 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.36 1ni7 h ALA 105 Cb 0.52 0.62 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1ni7 h ALA 105 CO -0.67 -0.85 0.07 0.93 0.00 0.00 0.00 179.25 178.72 1ni7 h GLU 106 N -0.38 0.06 -0.09 0.00 4.39 -1.71 0.66 114.58 117.51 1ni7 h GLU 106 Ca -0.01 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1ni7 h GLU 106 Cb 0.37 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1ni7 h GLU 106 CO -0.11 0.04 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.49 1ni7 h LEU 107 N 0.07 -0.66 -1.97 1.33 3.38 0.47 0.72 115.31 118.65 1ni7 h LEU 107 Ca 0.55 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.61 1ni7 h LEU 107 Cb 1.11 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ni7 h LEU 107 CO -0.82 -0.27 -0.10 1.56 0.09 0.00 0.00 178.44 178.90 1ni7 h GLN 108 N -0.30 0.00 0.00 1.13 4.20 0.20 0.54 115.11 120.89 1ni7 h GLN 108 Ca 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1ni7 h GLN 108 Cb 0.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1ni7 h GLN 108 CO -0.26 0.10 -0.12 0.00 -0.67 0.00 0.00 178.83 177.88 1ni7 h ALA 109 N 1.90 0.92 -1.98 3.87 0.00 0.24 -3.42 119.26 120.78 1ni7 h ALA 109 Ca -0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1ni7 h ALA 109 Cb 0.23 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.71 1ni7 h ALA 109 CO 0.01 0.15 -0.46 -1.14 0.00 0.00 0.00 179.25 177.82 1ni7 s GLN 110 N -3.18 0.34 0.53 0.00 0.74 0.23 -5.05 119.66 113.27 1ni7 s GLN 110 Ca 0.06 0.62 -0.19 0.00 0.05 0.00 0.00 55.36 55.89 1ni7 s GLN 110 Cb 0.06 -0.34 -0.07 0.00 1.10 0.00 0.00 33.01 33.77 1ni7 s GLN 110 CO 0.68 -0.58 1.09 -1.12 -0.55 0.00 0.00 175.29 174.82 1ni7 s SER 111 N 2.56 5.93 0.37 6.67 0.01 -1.13 -4.34 113.70 123.76 1ni7 s SER 111 Ca 0.11 2.06 0.19 0.00 1.31 0.00 0.00 55.95 59.62 1ni7 s SER 111 Cb -0.15 -2.57 0.53 0.00 0.21 0.00 0.00 66.02 64.05 1ni7 s SER 111 CO -0.15 -1.07 1.66 1.55 0.41 0.00 0.00 173.24 175.64 1ni7 h PRO 112 N 1.26 0.00 -0.26 12.44 0.13 -1.93 -2.99 132.00 140.65 1ni7 h PRO 112 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1ni7 h PRO 112 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ni7 h PRO 112 CO 0.58 0.35 0.29 -0.07 -0.23 0.00 0.00 178.00 178.92 1ni7 h LEU 113 N 0.00 0.00 0.37 1.56 3.38 -1.93 -1.87 115.31 116.81 1ni7 h LEU 113 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ni7 h LEU 113 Cb 1.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ni7 h LEU 113 CO 0.05 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 178.12 1ni7 h ALA 114 N 1.67 -1.07 -0.92 1.53 0.00 -1.92 0.32 119.26 118.86 1ni7 h ALA 114 Ca 0.12 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ni7 h ALA 114 Cb 0.70 0.72 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1ni7 h ALA 114 CO -0.00 -1.12 -0.52 -0.07 0.00 0.00 0.00 179.25 177.54 1ni7 h LEU 115 N -0.84 -1.90 -0.18 0.00 3.38 -1.55 1.61 115.31 115.82 1ni7 h LEU 115 Ca -0.04 0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1ni7 h LEU 115 Cb 0.75 0.87 -0.07 0.00 0.09 0.00 0.00 40.66 42.30 1ni7 h LEU 115 CO -0.10 -0.27 -0.47 -0.26 0.09 0.00 0.00 178.44 177.43 1ni7 h PHE 116 N -0.05 -1.39 -0.85 1.13 0.04 -1.49 1.46 116.94 115.78 1ni7 h PHE 116 Ca 0.20 0.06 0.08 0.00 2.80 0.00 0.00 57.97 61.11 1ni7 h PHE 116 Cb 0.49 0.63 -0.07 0.00 2.20 0.00 0.00 35.95 39.20 1ni7 h PHE 116 CO -0.94 -0.50 0.51 0.22 -0.60 0.00 0.00 178.31 177.00 1ni7 h ASP 117 N -0.50 0.78 -0.16 2.17 1.82 0.13 2.00 116.42 122.66 1ni7 h ASP 117 Ca 0.07 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1ni7 h ASP 117 Cb 0.64 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1ni7 h ASP 117 CO -0.45 0.48 0.08 -0.33 -1.61 0.00 0.00 179.24 177.41 1ni7 h GLU 118 N 0.90 0.23 0.00 0.28 4.39 0.41 -1.65 114.58 119.15 1ni7 h GLU 118 Ca 0.39 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1ni7 h GLU 118 Cb 0.26 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ni7 h GLU 118 CO -0.20 0.26 0.00 1.28 -1.16 0.00 0.00 179.01 179.19 1ni7 n LEU 119 N -4.90 0.63 0.00 1.33 4.77 0.48 -4.87 117.00 114.43 1ni7 n LEU 119 Ca -0.04 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1ni7 n LEU 119 Cb 0.09 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1ni7 n LEU 119 CO 0.34 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1ni7 n GLY 120 N 0.73 0.58 0.11 -0.72 0.00 0.54 -4.91 105.19 101.51 1ni7 n GLY 120 Ca 0.04 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 0.36 -1.23 0.99 4.77 0.55 -3.68 117.00 118.76 1ni7 n LEU 121 Ca 0.00 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 1ni7 n LEU 121 Cb 0.00 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1ni7 n LEU 121 CO 0.00 0.06 0.27 -1.14 -1.33 0.00 0.00 177.39 175.26 1ni7 n ARG 122 N -0.86 0.08 0.33 3.23 0.00 -1.10 -4.83 116.66 113.51 1ni7 n ARG 122 Ca 0.19 -1.33 -0.13 0.00 -0.00 0.00 0.00 57.85 56.58 1ni7 n ARG 122 Cb 0.22 0.33 -0.06 0.00 0.00 0.00 0.00 32.46 32.94 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 0.36 -0.97 -0.03 5.13 0.00 -1.79 -3.35 119.26 118.60 1ni7 h ALA 123 Ca -0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1ni7 h ALA 123 Cb 1.54 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1ni7 h ALA 123 CO -0.17 -0.91 -0.21 0.94 0.00 0.00 0.00 179.25 178.90 1ni7 n GLN 124 N -4.98 1.51 -1.65 0.00 -0.06 -1.26 -5.05 117.38 105.89 1ni7 n GLN 124 Ca -0.11 -2.92 -0.59 0.00 -2.00 0.00 0.00 57.00 51.38 1ni7 n GLN 124 Cb 0.35 -1.58 -0.08 0.00 -4.06 0.00 0.00 30.24 24.87 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ni7 n LEU 125 N -1.25 1.41 -4.27 1.69 4.77 -1.26 -4.74 117.00 113.35 1ni7 n LEU 125 Ca 0.18 1.13 -0.45 0.00 -0.03 0.00 0.00 56.01 56.85 1ni7 n LEU 125 Cb 0.69 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1ni7 n LEU 125 CO 0.00 -1.00 -0.18 -0.24 -1.33 0.00 0.00 177.39 174.65 1ni7 n SER 126 N 3.52 -1.85 -0.24 -1.43 2.88 -1.26 -3.93 113.62 111.31 1ni7 n SER 126 Ca 0.24 0.98 -0.07 0.00 -1.33 0.00 0.00 58.87 58.69 1ni7 n SER 126 Cb 0.09 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 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 0.72 -0.25 -0.91 -1.46 0.00 -1.98 1.62 119.26 117.00 1ni7 h ALA 127 Ca -0.31 0.13 0.24 0.00 0.00 0.00 0.00 54.91 54.98 1ni7 h ALA 127 Cb 1.41 0.97 -0.13 0.00 0.00 0.00 0.00 17.79 20.03 1ni7 h ALA 127 CO 0.52 -0.79 0.38 0.77 0.00 0.00 0.00 179.25 180.12 1ni7 h SER 128 N -0.18 0.26 -0.07 0.00 0.02 -1.99 0.90 113.55 112.49 1ni7 h SER 128 Ca 0.20 0.17 -0.21 0.00 -0.84 0.00 0.00 61.79 61.12 1ni7 h SER 128 Cb 0.56 0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.29 1ni7 h SER 128 CO -0.73 -0.07 -0.76 0.03 -1.14 0.00 0.00 176.83 174.15 1ni7 h ARG 129 N 0.33 0.64 0.42 3.45 -0.00 0.10 -2.71 114.38 116.61 1ni7 h ARG 129 Ca 0.59 -0.60 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1ni7 h ARG 129 Cb 1.18 0.15 -0.01 0.00 0.00 0.00 0.00 29.97 31.30 1ni7 h ARG 129 CO -0.58 1.21 -0.27 0.77 0.00 0.00 0.00 179.97 181.10 1ni7 h SER 130 N 0.29 -0.68 -0.05 7.04 0.02 0.56 0.18 113.55 120.92 1ni7 h SER 130 Ca -0.08 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1ni7 h SER 130 Cb 1.42 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 64.16 1ni7 h SER 130 CO 0.15 -0.42 0.09 0.06 -1.14 0.00 0.00 176.83 175.57 1ni7 h GLN 131 N -0.66 0.00 0.11 3.45 3.07 0.52 -2.09 115.11 119.51 1ni7 h GLN 131 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 1ni7 h GLN 131 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1ni7 h GLN 131 CO 0.04 0.00 -0.05 0.78 0.09 0.00 0.00 178.83 179.69 1ni7 h GLY 132 N 0.00 -0.15 -0.17 0.06 0.00 -0.85 -2.70 103.07 99.27 1ni7 h GLY 132 Ca 0.02 0.06 0.30 0.00 0.00 0.00 0.00 47.33 47.71 1ni7 h GLY 132 CO -0.00 -0.06 0.75 1.41 0.00 0.00 0.00 176.54 178.64 1ni7 h LEU 133 N -1.00 0.16 0.54 3.11 4.07 -0.25 0.64 115.31 122.58 1ni7 h LEU 133 Ca -0.01 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1ni7 h LEU 133 Cb 0.33 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.07 1ni7 h LEU 133 CO 0.02 0.03 -0.26 -1.13 -1.08 0.00 0.00 178.44 176.03 1ni7 h ASN 134 N 0.14 -0.61 -0.74 -0.43 -0.73 -1.44 -2.29 115.58 109.47 1ni7 h ASN 134 Ca 0.55 -0.03 0.10 0.00 1.87 0.00 0.00 56.30 58.79 1ni7 h ASN 134 Cb 1.88 0.16 -0.12 0.00 0.27 0.00 0.00 38.32 40.51 1ni7 h ASN 134 CO -0.11 -0.22 -0.44 0.00 -0.37 0.00 0.00 177.43 176.29 1ni7 h ALA 135 N -0.97 -0.23 -0.48 1.57 0.00 -0.57 1.29 119.26 119.88 1ni7 h ALA 135 Ca -0.07 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ni7 h ALA 135 Cb 0.61 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.32 1ni7 h ALA 135 CO 0.12 -0.79 -0.31 -0.07 0.00 0.00 0.00 179.25 178.20 1ni7 h LEU 136 N -0.14 -1.06 0.10 0.00 3.38 -1.29 -0.36 115.31 115.94 1ni7 h LEU 136 Ca 0.22 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ni7 h LEU 136 Cb 0.55 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1ni7 h LEU 136 CO -0.79 -0.30 -0.08 -1.28 0.09 0.00 0.00 178.44 176.07 1ni7 h SER 137 N -0.20 -0.21 -1.25 -0.43 0.87 0.16 -1.81 113.55 110.70 1ni7 h SER 137 Ca 0.20 0.02 0.40 0.00 -1.23 0.00 0.00 61.79 61.18 1ni7 h SER 137 Cb 0.53 0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.44 1ni7 h SER 137 CO -0.59 -0.13 0.80 -0.33 -0.53 0.00 0.00 176.83 176.04 1ni7 h GLU 138 N -0.19 0.14 -0.91 2.24 4.39 0.30 1.54 114.58 122.09 1ni7 h GLU 138 Ca -0.00 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1ni7 h GLU 138 Cb 0.18 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.70 1ni7 h GLU 138 CO -0.01 0.10 0.53 0.00 -1.16 0.00 0.00 179.01 178.46 1ni7 h ALA 139 N 1.62 1.39 -0.03 3.43 0.00 -0.23 0.35 119.26 125.80 1ni7 h ALA 139 Ca 0.77 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 55.49 1ni7 h ALA 139 Cb 2.33 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 20.02 1ni7 h ALA 139 CO -0.41 0.05 -0.97 0.82 0.00 0.00 0.00 179.25 178.74 1ni7 h ILE 140 N 0.79 1.30 -0.21 0.00 2.04 0.21 -2.82 117.51 118.83 1ni7 h ILE 140 Ca 0.48 -2.24 0.05 0.00 1.00 0.00 0.00 64.86 64.15 1ni7 h ILE 140 Cb 0.58 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 1ni7 h ILE 140 CO -0.31 0.69 -0.09 0.40 0.00 0.00 0.00 178.15 178.84 1ni7 h ILE 141 N 0.39 0.71 -0.66 -0.67 1.08 0.18 0.71 117.51 119.24 1ni7 h ILE 141 Ca -0.11 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1ni7 h ILE 141 Cb 1.62 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 1ni7 h ILE 141 CO 0.19 0.00 0.38 0.00 -0.69 0.00 0.00 178.15 178.02 1ni7 h ALA 142 N 1.13 0.88 0.95 1.87 0.00 -0.44 0.60 119.26 124.25 1ni7 h ALA 142 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ni7 h ALA 142 Cb 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ni7 h ALA 142 CO -0.24 0.07 -0.46 0.00 0.00 0.00 0.00 179.25 178.61 1ni7 h ALA 143 N 1.34 -1.29 -0.80 0.00 0.00 -0.95 -2.62 119.26 114.93 1ni7 h ALA 143 Ca 0.29 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1ni7 h ALA 143 Cb 0.16 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1ni7 h ALA 143 CO -0.17 -1.20 0.36 1.79 0.00 0.00 0.00 179.25 180.03 1ni7 h THR 144 N -1.33 0.66 -1.02 0.00 1.35 0.68 0.39 112.91 113.63 1ni7 h THR 144 Ca -0.13 -0.17 0.26 0.00 -0.55 0.00 0.00 66.41 65.81 1ni7 h THR 144 Cb 0.98 0.12 -0.09 0.00 -1.73 0.00 0.00 68.15 67.42 1ni7 h THR 144 CO 0.21 0.09 0.66 0.11 -0.25 0.00 0.00 175.52 176.34 1ni7 h LYS 145 N 0.50 0.41 -0.01 4.72 1.57 0.41 1.08 116.57 125.25 1ni7 h LYS 145 Ca 0.45 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 1ni7 h LYS 145 Cb 0.68 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1ni7 h LYS 145 CO -0.40 0.27 -0.47 1.96 -0.57 0.00 0.00 179.45 180.24 1ni7 h GLN 146 N 0.42 0.34 0.75 3.15 1.08 0.09 -2.94 115.11 118.01 1ni7 h GLN 146 Ca 0.59 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1ni7 h GLN 146 Cb 1.43 0.09 0.01 0.00 -0.05 0.00 0.00 27.48 28.96 1ni7 h GLN 146 CO -0.30 1.03 -0.36 0.28 -0.95 0.00 0.00 178.83 178.53 1ni7 h VAL 147 N -0.21 0.24 -0.88 -0.54 2.07 0.42 -2.79 116.25 114.57 1ni7 h VAL 147 Ca -0.05 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1ni7 h VAL 147 Cb 1.18 0.26 -0.17 0.00 -1.52 0.00 0.00 31.29 31.04 1ni7 h VAL 147 CO 0.09 0.01 -0.20 -0.07 0.02 0.00 0.00 177.57 177.42 1ni7 h LEU 148 N -1.05 -0.78 0.00 2.57 3.38 0.92 -3.51 115.31 116.84 1ni7 h LEU 148 Ca -0.10 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ni7 h LEU 148 Cb 0.78 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1ni7 h LEU 148 CO 0.17 -0.29 0.00 1.21 0.09 0.00 0.00 178.44 179.62