#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 3.02 -0.15 3.17 2.01 -1.26 -5.09 115.64 117.34 1ni7 s THR 2 Ca 0.00 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1ni7 s THR 2 Cb 0.00 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 70.32 1ni7 s THR 2 CO 0.00 0.53 0.14 0.20 -0.69 0.00 0.00 174.62 174.80 1ni7 s ASN 3 N 0.29 1.57 0.09 3.53 -0.87 -1.26 -5.13 114.94 113.16 1ni7 s ASN 3 Ca -0.10 -0.21 -0.30 0.00 -1.57 0.00 0.00 52.86 50.67 1ni7 s ASN 3 Cb -0.16 0.08 -0.06 0.00 -0.02 0.00 0.00 41.25 41.09 1ni7 s ASN 3 CO 0.06 -0.31 1.15 -2.16 -2.57 0.00 0.00 177.10 173.27 1ni7 s PRO 4 N 2.23 4.49 -0.04 -0.60 0.04 -1.26 -5.03 135.00 134.83 1ni7 s PRO 4 Ca 0.04 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1ni7 s PRO 4 Cb -0.15 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1ni7 s PRO 4 CO -0.09 -0.15 0.07 -1.14 0.04 0.00 0.00 177.00 175.73 1ni7 s GLN 5 N 0.63 -0.05 0.19 4.56 -0.44 -1.26 -5.14 119.66 118.15 1ni7 s GLN 5 Ca 0.55 0.35 -0.21 0.00 -2.50 0.00 0.00 55.36 53.55 1ni7 s GLN 5 Cb -0.29 -0.39 0.04 0.00 -1.64 0.00 0.00 33.01 30.74 1ni7 s GLN 5 CO 0.31 -0.27 0.59 -0.06 0.50 0.00 0.00 175.29 176.36 1ni7 s PHE 6 N 1.81 -0.32 -0.43 1.67 0.08 -1.26 -5.13 117.98 114.40 1ni7 s PHE 6 Ca -0.00 0.01 -0.18 0.00 0.12 0.00 0.00 56.93 56.88 1ni7 s PHE 6 Cb -0.12 0.52 0.03 0.00 -0.57 0.00 0.00 43.02 42.88 1ni7 s PHE 6 CO -0.03 -0.95 0.48 0.00 -0.10 0.00 0.00 175.22 174.62 1ni7 s ALA 7 N -3.83 3.42 0.01 5.36 0.00 -1.26 -4.98 121.76 120.48 1ni7 s ALA 7 Ca 0.06 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1ni7 s ALA 7 Cb -0.02 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1ni7 s ALA 7 CO -0.06 -1.67 1.04 0.78 0.00 0.00 0.00 175.76 175.85 1ni7 h GLY 8 N 9.20 -1.77 -3.84 0.00 0.00 -2.03 -3.48 103.07 101.15 1ni7 h GLY 8 Ca -0.26 0.78 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1ni7 h GLY 8 CO 0.83 -0.66 -0.64 1.57 0.00 0.00 0.00 176.54 177.65 1ni7 n HIS 9 N -2.84 -1.87 0.23 5.60 -0.00 -1.26 -4.91 115.22 110.17 1ni7 n HIS 9 Ca -0.00 1.05 0.12 0.00 -0.00 0.00 0.00 57.72 58.88 1ni7 n HIS 9 Cb 0.02 -2.54 0.38 0.00 -0.00 0.00 0.00 29.99 27.86 1ni7 n HIS 9 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ni7 h PRO 10 N 1.65 0.00 -4.98 1.57 0.13 -1.94 -3.40 132.00 125.02 1ni7 h PRO 10 Ca -0.20 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.51 1ni7 h PRO 10 Cb 0.45 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.64 1ni7 h PRO 10 CO 0.01 0.11 1.22 1.19 -0.23 0.00 0.00 178.00 180.30 1ni7 n PHE 11 N -3.18 1.17 0.00 1.56 3.72 -1.26 0.01 117.46 119.48 1ni7 n PHE 11 Ca 0.02 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.50 1ni7 n PHE 11 Cb 0.46 -1.77 0.00 0.00 -0.94 0.00 0.00 39.48 37.24 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 5.30 -0.41 0.00 1.37 0.00 0.19 -2.12 105.19 109.51 1ni7 n GLY 12 Ca 0.46 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.35 2.61 -1.04 -1.04 -4.60 114.28 109.87 1ni7 n THR 13 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1ni7 n THR 13 Cb 0.00 -0.49 0.12 0.00 -1.82 0.00 0.00 70.33 68.14 1ni7 n THR 13 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1ni7 h THR 14 N 0.00 1.18 -3.24 12.58 2.02 -1.89 -3.40 112.91 120.16 1ni7 h THR 14 Ca 0.00 -0.41 -0.62 0.00 0.77 0.00 0.00 66.41 66.15 1ni7 h THR 14 Cb 0.00 -0.13 -0.15 0.00 -1.74 0.00 0.00 68.15 66.13 1ni7 h THR 14 CO 0.00 0.22 -0.56 -0.69 0.37 0.00 0.00 175.52 174.86 1ni7 s VAL 15 N -6.10 4.83 0.14 3.16 1.01 0.10 -4.93 120.40 118.62 1ni7 s VAL 15 Ca -0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1ni7 s VAL 15 Cb 0.18 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1ni7 s VAL 15 CO 0.81 0.48 0.23 0.42 0.00 0.00 0.00 175.10 177.04 1ni7 s THR 16 N 0.18 0.09 0.32 3.92 -4.23 -1.26 0.54 115.64 115.19 1ni7 s THR 16 Ca 0.05 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1ni7 s THR 16 Cb -0.12 -1.76 0.31 0.00 1.34 0.00 0.00 72.50 72.26 1ni7 s THR 16 CO 0.00 -0.40 1.81 0.00 -0.54 0.00 0.00 174.62 175.49 1ni7 h ALA 17 N 2.63 1.71 0.30 3.99 0.00 -1.93 0.90 119.26 126.87 1ni7 h ALA 17 Ca -0.33 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ni7 h ALA 17 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ni7 h ALA 17 CO 0.51 -0.03 -0.14 1.49 0.00 0.00 0.00 179.25 181.08 1ni7 h GLU 18 N 0.78 -0.38 -1.03 0.00 4.81 -1.98 -2.52 114.58 114.25 1ni7 h GLU 18 Ca 0.54 0.03 0.26 0.00 -0.13 0.00 0.00 59.36 60.05 1ni7 h GLU 18 Cb 0.82 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.18 1ni7 h GLU 18 CO -0.32 -0.25 0.63 1.15 -0.73 0.00 0.00 179.01 179.49 1ni7 h THR 19 N -0.90 0.53 -0.13 0.32 2.02 -1.83 1.31 112.91 114.23 1ni7 h THR 19 Ca -0.04 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1ni7 h THR 19 Cb 0.30 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1ni7 h THR 19 CO 0.07 0.09 -0.19 -0.07 0.37 0.00 0.00 175.52 175.79 1ni7 h LEU 20 N 0.49 0.21 -1.74 2.58 3.38 0.78 -1.06 115.31 119.96 1ni7 h LEU 20 Ca 0.62 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.53 1ni7 h LEU 20 Cb 1.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1ni7 h LEU 20 CO -0.39 0.41 -0.07 -0.09 0.09 0.00 0.00 178.44 178.39 1ni7 h ARG 21 N 0.20 0.00 0.00 1.13 2.43 0.22 -1.51 114.38 116.85 1ni7 h ARG 21 Ca 0.04 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1ni7 h ARG 21 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1ni7 h ARG 21 CO 0.03 0.07 -0.40 -0.97 -1.51 0.00 0.00 179.97 177.20 1ni7 h ASN 22 N 0.00 0.00 -0.03 -3.80 -0.73 -0.68 1.36 115.58 111.71 1ni7 h ASN 22 Ca -0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1ni7 h ASN 22 Cb 0.44 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.04 1ni7 h ASN 22 CO 0.01 0.40 -0.50 0.74 -0.37 0.00 0.00 177.43 177.70 1ni7 h THR 23 N 0.00 1.43 0.00 -3.57 2.02 -1.28 -3.28 112.91 108.24 1ni7 h THR 23 Ca -0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1ni7 h THR 23 Cb 0.91 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1ni7 h THR 23 CO 0.05 0.57 -0.65 -0.26 0.37 0.00 0.00 175.52 175.60 1ni7 h PHE 24 N -0.13 0.00 -0.96 3.16 0.04 -1.44 -3.35 116.94 114.27 1ni7 h PHE 24 Ca -0.06 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.87 1ni7 h PHE 24 Cb 1.20 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.19 1ni7 h PHE 24 CO 0.14 0.00 -0.35 0.00 -0.60 0.00 0.00 178.31 177.51 1ni7 n ALA 25 N -2.09 -0.05 -0.01 2.45 0.00 0.47 -0.45 120.51 120.82 1ni7 n ALA 25 Ca 0.02 0.97 -0.16 0.00 0.00 0.00 0.00 53.44 54.27 1ni7 n ALA 25 Cb 0.52 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 0.37 -5.21 0.00 0.13 -1.74 -3.42 132.00 122.13 1ni7 h PRO 26 Ca 0.36 -0.36 -0.29 0.00 -0.87 0.00 0.00 66.00 64.83 1ni7 h PRO 26 Cb 0.60 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1ni7 h PRO 26 CO -0.96 1.03 1.29 1.28 -0.23 0.00 0.00 178.00 180.42 1ni7 n LEU 27 N -4.31 0.52 0.20 1.56 4.77 0.40 -4.67 117.00 115.47 1ni7 n LEU 27 Ca -0.10 -0.70 0.09 0.00 -0.03 0.00 0.00 56.01 55.28 1ni7 n LEU 27 Cb 0.60 -1.14 0.29 0.00 -2.33 0.00 0.00 43.42 40.84 1ni7 n LEU 27 CO 0.44 -1.70 0.72 0.74 -1.33 0.00 0.00 177.39 176.27 1ni7 h THR 28 N 7.53 0.47 -3.99 -5.08 2.02 -1.82 -3.45 112.91 108.58 1ni7 h THR 28 Ca -0.04 -1.36 -0.45 0.00 0.77 0.00 0.00 66.41 65.33 1ni7 h THR 28 Cb 1.15 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1ni7 h THR 28 CO 1.31 0.23 0.31 -1.10 0.37 0.00 0.00 175.52 176.64 1ni7 s GLN 29 N -3.35 4.24 -0.02 6.66 1.11 -1.26 -4.97 119.66 122.07 1ni7 s GLN 29 Ca 0.03 1.09 0.04 0.00 0.01 0.00 0.00 55.36 56.52 1ni7 s GLN 29 Cb 0.08 -2.29 -0.25 0.00 -1.01 0.00 0.00 33.01 29.54 1ni7 s GLN 29 CO 0.67 0.03 0.76 2.35 0.01 0.00 0.00 175.29 179.11 1ni7 h TRP 30 N 2.12 0.23 0.00 0.91 7.01 -2.01 -3.27 115.95 120.93 1ni7 h TRP 30 Ca -0.49 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.35 1ni7 h TRP 30 Cb 1.18 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 1ni7 h TRP 30 CO 0.62 1.25 0.00 0.93 -2.79 0.00 0.00 178.44 178.45 1ni7 h GLU 31 N 0.03 0.00 -0.08 2.65 5.08 -1.98 -1.77 114.58 118.52 1ni7 h GLU 31 Ca -0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1ni7 h GLU 31 Cb 1.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 1ni7 h GLU 31 CO 0.11 0.00 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.57 1ni7 h ASP 32 N 0.00 0.23 -0.04 1.42 3.32 -1.95 -0.51 116.42 118.89 1ni7 h ASP 32 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 57.03 56.54 1ni7 h ASP 32 Cb 0.10 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1ni7 h ASP 32 CO 0.00 0.71 -0.40 0.11 -1.72 0.00 0.00 179.24 177.94 1ni7 h LYS 33 N -0.25 -0.46 -1.00 3.56 6.56 -1.47 1.61 116.57 125.13 1ni7 h LYS 33 Ca 0.01 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.71 1ni7 h LYS 33 Cb 0.66 0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 32.36 1ni7 h LYS 33 CO 0.03 -0.31 0.64 -0.92 -2.06 0.00 0.00 179.45 176.83 1ni7 h TYR 34 N -0.48 1.18 0.80 -1.35 3.20 -1.62 0.67 116.97 119.37 1ni7 h TYR 34 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1ni7 h TYR 34 Cb 0.53 -0.38 0.01 0.00 1.54 0.00 0.00 36.73 38.42 1ni7 h TYR 34 CO -0.50 0.57 -0.38 0.00 -1.64 0.00 0.00 178.16 176.20 1ni7 h ARG 35 N 1.12 -1.04 -0.57 1.82 2.47 0.25 -2.93 114.38 115.51 1ni7 h ARG 35 Ca 0.45 0.07 0.06 0.00 -1.26 0.00 0.00 59.98 59.30 1ni7 h ARG 35 Cb 0.26 0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 1ni7 h ARG 35 CO -0.20 -0.69 0.38 0.37 0.56 0.00 0.00 179.97 180.39 1ni7 h GLN 36 N -1.20 0.53 -0.48 0.04 -0.00 0.25 -2.37 115.11 111.88 1ni7 h GLN 36 Ca -0.11 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.58 1ni7 h GLN 36 Cb 0.82 -0.12 -0.10 0.00 0.00 0.00 0.00 27.48 28.09 1ni7 h GLN 36 CO 0.18 0.35 -0.44 -0.07 0.00 0.00 0.00 178.83 178.85 1ni7 h LEU 37 N 0.54 -1.47 -0.95 -2.39 3.38 0.52 0.53 115.31 115.47 1ni7 h LEU 37 Ca 0.24 0.23 0.29 0.00 0.09 0.00 0.00 57.88 58.73 1ni7 h LEU 37 Cb 0.27 0.65 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1ni7 h LEU 37 CO -0.07 -0.35 0.26 0.40 0.09 0.00 0.00 178.44 178.77 1ni7 h ILE 38 N -0.29 0.17 -0.51 1.22 2.04 -1.26 1.01 117.51 119.89 1ni7 h ILE 38 Ca 0.15 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1ni7 h ILE 38 Cb 0.57 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1ni7 h ILE 38 CO -0.62 0.02 0.12 -0.03 0.00 0.00 0.00 178.15 177.64 1ni7 h MET 39 N 0.12 0.82 -1.63 2.37 4.05 -0.12 -2.37 114.93 118.17 1ni7 h MET 39 Ca 0.64 -0.20 0.48 0.00 -0.28 0.00 0.00 59.70 60.34 1ni7 h MET 39 Cb 1.42 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 32.03 1ni7 h MET 39 CO -0.75 0.79 1.15 1.25 0.23 0.00 0.00 176.91 179.57 1ni7 h LEU 40 N 0.71 0.06 0.00 3.39 6.46 0.30 0.52 115.31 126.76 1ni7 h LEU 40 Ca 0.16 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1ni7 h LEU 40 Cb 0.34 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1ni7 h LEU 40 CO 0.00 -0.04 -0.00 1.23 -0.62 0.00 0.00 178.44 179.01 1ni7 h GLY 41 N 0.03 -0.00 -0.98 3.75 0.00 -1.22 -3.33 103.07 101.31 1ni7 h GLY 41 Ca 0.82 0.00 0.28 0.00 0.00 0.00 0.00 47.33 48.43 1ni7 h GLY 41 CO -0.11 -0.00 0.06 0.50 0.00 0.00 0.00 176.54 177.00 1ni7 h LYS 42 N -0.99 0.01 -0.64 4.80 1.57 0.15 1.39 116.57 122.85 1ni7 h LYS 42 Ca -0.00 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1ni7 h LYS 42 Cb 0.80 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 1ni7 h LYS 42 CO 0.00 0.00 0.08 1.96 -0.57 0.00 0.00 179.45 180.92 1ni7 h GLN 43 N 0.01 0.19 -6.67 3.15 4.20 -1.43 -3.41 115.11 111.14 1ni7 h GLN 43 Ca 0.62 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.74 1ni7 h GLN 43 Cb 1.31 -0.04 0.10 0.00 0.30 0.00 0.00 27.48 29.15 1ni7 h GLN 43 CO -0.92 0.12 0.53 -0.11 -0.67 0.00 0.00 178.83 177.79 1ni7 n LEU 44 N -5.21 3.29 -4.81 1.46 7.94 0.48 -4.94 117.00 115.20 1ni7 n LEU 44 Ca 0.10 1.18 -0.33 0.00 -1.11 0.00 0.00 56.01 55.86 1ni7 n LEU 44 Cb 0.38 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.87 1ni7 n LEU 44 CO 0.13 -0.53 0.71 -2.16 -1.11 0.00 0.00 177.39 174.43 1ni7 s PRO 45 N -1.26 3.43 -0.56 1.96 0.04 -1.26 -4.93 135.00 132.42 1ni7 s PRO 45 Ca 0.61 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1ni7 s PRO 45 Cb -0.61 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1ni7 s PRO 45 CO 0.57 -0.72 1.98 0.00 0.04 0.00 0.00 177.00 178.87 1ni7 s ALA 46 N -2.44 2.11 0.15 8.56 0.00 -1.26 -4.91 121.76 123.96 1ni7 s ALA 46 Ca 0.63 -0.41 -0.32 0.00 0.00 0.00 0.00 51.96 51.86 1ni7 s ALA 46 Cb -0.15 -4.29 -0.12 0.00 0.00 0.00 0.00 23.12 18.56 1ni7 s ALA 46 CO 0.35 -3.91 1.77 -0.11 0.00 0.00 0.00 175.76 173.86 1ni7 n LEU 47 N 13.25 3.88 -4.78 0.00 7.94 -1.26 -4.94 117.00 131.09 1ni7 n LEU 47 Ca 0.24 1.02 -0.37 0.00 -1.11 0.00 0.00 56.01 55.80 1ni7 n LEU 47 Cb 0.52 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.90 1ni7 n LEU 47 CO 0.71 0.11 0.75 -2.16 -1.11 0.00 0.00 177.39 175.68 1ni7 s PRO 48 N 2.03 4.24 0.59 1.96 0.04 -1.26 -4.88 135.00 137.72 1ni7 s PRO 48 Ca 0.80 1.57 0.29 0.00 0.04 0.00 0.00 61.00 63.69 1ni7 s PRO 48 Cb -0.52 -2.65 1.50 0.00 0.04 0.00 0.00 34.50 32.87 1ni7 s PRO 48 CO 0.36 -0.09 1.92 -0.44 0.04 0.00 0.00 177.00 178.79 1ni7 h ASP 49 N 2.72 0.00 -0.38 6.66 5.19 -1.98 0.32 116.42 128.94 1ni7 h ASP 49 Ca -0.48 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 1ni7 h ASP 49 Cb 1.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1ni7 h ASP 49 CO 0.63 0.00 0.08 -0.08 -3.12 0.00 0.00 179.24 176.75 1ni7 h GLU 50 N 0.00 0.62 0.00 3.56 4.57 -2.00 -2.30 114.58 119.02 1ni7 h GLU 50 Ca 0.19 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 1ni7 h GLU 50 Cb 1.07 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1ni7 h GLU 50 CO -0.00 0.66 -0.55 -0.07 -1.18 0.00 0.00 179.01 177.87 1ni7 h LEU 51 N 0.47 0.00 -1.47 1.64 3.38 -0.82 -2.92 115.31 115.59 1ni7 h LEU 51 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ni7 h LEU 51 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1ni7 h LEU 51 CO 0.00 0.55 0.22 0.11 0.09 0.00 0.00 178.44 179.42 1ni7 h LYS 52 N 0.00 0.57 0.00 1.13 1.57 -0.70 0.21 116.57 119.35 1ni7 h LYS 52 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ni7 h LYS 52 Cb 1.15 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1ni7 h LYS 52 CO 0.07 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 1ni7 h ALA 53 N 1.66 1.00 0.00 3.86 0.00 -1.23 -2.65 119.26 121.91 1ni7 h ALA 53 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ni7 h ALA 53 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ni7 h ALA 53 CO -0.02 0.00 -0.33 1.96 0.00 0.00 0.00 179.25 180.85 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 -0.60 -3.46 115.11 118.55 1ni7 h GLN 54 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ni7 h GLN 54 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.20 1ni7 h GLN 54 CO 0.00 0.06 0.00 0.00 -1.50 0.00 0.00 178.83 177.39 1ni7 n ALA 55 N -2.14 0.00 -2.56 3.87 0.00 -0.78 -4.77 120.51 114.13 1ni7 n ALA 55 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 1ni7 n ALA 55 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.91 2.02 0.08 0.00 1.02 0.63 -4.87 119.74 117.72 1ni7 s LYS 56 Ca 0.00 -1.18 -0.24 0.00 0.02 0.00 0.00 55.97 54.56 1ni7 s LYS 56 Cb 0.00 -2.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1ni7 s LYS 56 CO 0.00 0.46 0.74 -1.21 -0.92 0.00 0.00 175.35 174.43 1ni7 s GLU 57 N -2.53 4.48 -0.01 1.68 8.01 -1.26 -1.64 118.70 127.43 1ni7 s GLU 57 Ca 0.23 1.05 0.01 0.00 0.01 0.00 0.00 54.97 56.26 1ni7 s GLU 57 Cb -0.10 -3.32 0.00 0.00 -4.31 0.00 0.00 34.13 26.40 1ni7 s GLU 57 CO 0.14 0.40 -0.03 0.42 0.01 0.00 0.00 175.26 176.21 1ni7 s ILE 58 N -0.48 0.24 -0.38 -1.63 1.01 0.25 -4.97 121.20 115.23 1ni7 s ILE 58 Ca 0.36 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1ni7 s ILE 58 Cb -0.21 -0.23 0.16 0.00 0.01 0.00 0.00 42.46 42.18 1ni7 s ILE 58 CO 0.23 0.09 0.39 0.00 0.00 0.00 0.00 174.94 175.65 1ni7 s ALA 59 N 0.13 -0.39 -0.18 9.38 0.00 -1.26 0.26 121.76 129.71 1ni7 s ALA 59 Ca -0.01 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1ni7 s ALA 59 Cb -0.04 -2.06 0.14 0.00 0.00 0.00 0.00 23.12 21.16 1ni7 s ALA 59 CO -0.00 -2.15 0.94 0.41 0.00 0.00 0.00 175.76 174.96 1ni7 n GLY 60 N 4.06 -0.01 1.44 0.00 0.00 -1.26 -4.99 105.19 104.43 1ni7 n GLY 60 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.37 0.00 -3.93 0.00 -0.58 -1.26 -4.65 120.64 107.84 1ni7 n GLU 62 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1ni7 n GLU 62 Cb 0.08 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.88 1ni7 n GLU 62 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ni7 s ASN 63 N 0.00 -0.03 0.29 1.62 0.01 -1.26 -5.03 114.94 110.55 1ni7 s ASN 63 Ca 0.00 -0.82 -0.20 0.00 -0.71 0.00 0.00 52.86 51.13 1ni7 s ASN 63 Cb 0.00 0.48 -0.14 0.00 0.41 0.00 0.00 41.25 42.00 1ni7 s ASN 63 CO 0.00 -0.95 0.19 0.54 -1.51 0.00 0.00 177.10 175.37 1ni7 n ARG 64 N -0.26 0.00 -3.85 -0.60 1.74 -1.26 -4.69 116.66 107.73 1ni7 n ARG 64 Ca -0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.89 1ni7 n ARG 64 Cb 0.63 -0.87 -0.14 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.27 -0.01 -0.03 1.55 1.01 0.14 -3.47 120.40 118.33 1ni7 s VAL 65 Ca 0.53 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1ni7 s VAL 65 Cb -0.63 -0.02 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1ni7 s VAL 65 CO 0.53 0.02 -0.10 0.26 0.00 0.00 0.00 175.10 175.80 1ni7 s TRP 66 N 0.18 1.04 -0.14 5.22 0.51 -0.44 0.85 118.94 126.16 1ni7 s TRP 66 Ca -0.02 -0.26 -0.11 0.00 -2.12 0.00 0.00 56.10 53.60 1ni7 s TRP 66 Cb -0.02 -0.73 0.04 0.00 -0.81 0.00 0.00 33.47 31.95 1ni7 s TRP 66 CO -0.01 -0.10 0.37 -1.17 -0.51 0.00 0.00 176.95 175.53 1ni7 s LEU 67 N 0.12 0.35 -0.05 2.99 2.96 -0.65 -0.19 118.68 124.20 1ni7 s LEU 67 Ca -0.02 0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 54.59 1ni7 s LEU 67 Cb -0.08 1.22 0.01 0.00 0.50 0.00 0.00 46.19 47.84 1ni7 s LEU 67 CO 0.01 -0.15 0.16 -0.83 -1.32 0.00 0.00 176.35 174.21 1ni7 s GLY 68 N 0.73 -0.10 0.26 7.98 0.00 0.28 0.23 107.32 116.70 1ni7 s GLY 68 Ca -0.04 0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 1ni7 s GLY 68 CO -0.05 0.29 0.57 -2.52 0.00 0.00 0.00 173.10 171.39 1ni7 s TYR 69 N -0.17 0.17 -0.24 1.90 1.13 -1.26 0.82 117.35 119.70 1ni7 s TYR 69 Ca -0.03 -0.56 -0.22 0.00 -1.41 0.00 0.00 57.07 54.85 1ni7 s TYR 69 Cb -0.02 0.38 0.06 0.00 -1.10 0.00 0.00 41.96 41.28 1ni7 s TYR 69 CO 0.00 -1.09 0.65 0.95 -2.51 0.00 0.00 175.55 173.55 1ni7 s THR 70 N -3.97 -0.00 -0.01 -3.49 -4.23 -1.23 -4.96 115.64 97.75 1ni7 s THR 70 Ca 0.18 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 1ni7 s THR 70 Cb -0.03 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1ni7 s THR 70 CO 0.08 0.00 0.94 -0.69 -0.54 0.00 0.00 174.62 174.42 1ni7 s VAL 71 N 0.37 4.89 0.72 2.29 1.01 -1.26 -2.47 120.40 125.94 1ni7 s VAL 71 Ca -0.00 1.98 -0.12 0.00 0.00 0.00 0.00 61.98 63.83 1ni7 s VAL 71 Cb -0.05 -4.28 0.17 0.00 0.00 0.00 0.00 36.38 32.23 1ni7 s VAL 71 CO 0.00 0.16 0.76 0.00 0.00 0.00 0.00 175.10 176.03 1ni7 n ALA 72 N 3.94 -1.69 -0.05 5.51 0.00 -0.94 -4.84 120.51 122.43 1ni7 n ALA 72 Ca 0.05 -1.06 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 1ni7 n ALA 72 Cb 0.51 -0.07 0.23 0.00 0.00 0.00 0.00 19.45 20.13 1ni7 n ALA 72 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ni7 h GLU 73 N 0.00 0.65 0.00 0.00 4.11 -1.96 -2.65 114.58 114.73 1ni7 h GLU 73 Ca -0.27 -0.15 -0.20 0.00 0.07 0.00 0.00 59.36 58.81 1ni7 h GLU 73 Cb 0.78 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1ni7 h GLU 73 CO 0.18 0.67 -1.48 -2.95 0.07 0.00 0.00 179.01 175.50 1ni7 h ASN 74 N 0.62 0.00 0.00 3.06 -1.07 -2.03 -3.48 115.58 112.69 1ni7 h ASN 74 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.50 1ni7 h ASN 74 Cb 0.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 1ni7 h ASN 74 CO 0.01 0.70 0.00 0.61 0.07 0.00 0.00 177.43 178.83 1ni7 n GLY 75 N 1.44 1.44 3.52 9.14 0.00 -1.00 -5.06 105.19 114.67 1ni7 n GLY 75 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 0.45 -3.07 1.61 5.02 -1.26 -3.73 118.16 117.18 1ni7 n LYS 76 Ca 0.00 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1ni7 n LYS 76 Cb 0.00 -2.36 -0.06 0.00 -0.02 0.00 0.00 35.03 32.59 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 8.69 4.11 -0.30 1.97 -1.94 -1.19 -2.23 119.30 128.42 1ni7 s MET 77 Ca 1.19 0.80 0.02 0.00 -1.71 0.00 0.00 55.69 56.00 1ni7 s MET 77 Cb -0.78 -2.51 0.08 0.00 2.01 0.00 0.00 34.83 33.63 1ni7 s MET 77 CO 0.39 0.19 0.00 -1.01 -0.01 0.00 0.00 175.02 174.58 1ni7 s HIS 78 N -1.89 3.09 0.20 -0.03 3.76 -1.03 -4.26 115.29 115.13 1ni7 s HIS 78 Ca 0.53 -2.42 -0.20 0.00 -0.15 0.00 0.00 55.06 52.81 1ni7 s HIS 78 Cb -0.12 -2.26 -0.08 0.00 1.11 0.00 0.00 32.58 31.23 1ni7 s HIS 78 CO 0.18 -0.89 0.71 -0.06 -0.85 0.00 0.00 174.74 173.83 1ni7 s PHE 79 N 1.15 3.68 -0.29 1.40 0.40 -1.26 -3.48 117.98 119.57 1ni7 s PHE 79 Ca 0.03 1.38 -0.16 0.00 -0.60 0.00 0.00 56.93 57.58 1ni7 s PHE 79 Cb -0.19 -2.61 0.12 0.00 0.51 0.00 0.00 43.02 40.85 1ni7 s PHE 79 CO -0.09 0.37 0.82 -0.59 0.70 0.00 0.00 175.22 176.43 1ni7 s PHE 80 N -1.46 -0.86 0.00 0.36 -0.12 0.24 -4.95 117.98 111.19 1ni7 s PHE 80 Ca 0.41 1.68 0.00 0.00 -0.05 0.00 0.00 56.93 58.97 1ni7 s PHE 80 Cb -0.17 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1ni7 s PHE 80 CO 0.21 -0.42 0.00 0.41 -0.05 0.00 0.00 175.22 175.37 1ni7 n GLY 81 N 4.18 3.56 2.88 1.99 0.00 -1.26 0.99 105.19 117.54 1ni7 n GLY 81 Ca -0.18 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.17 -3.63 1.61 5.75 0.74 -4.94 116.55 114.91 1ni7 n ASP 82 Ca 0.00 -1.53 -0.03 0.00 -0.01 0.00 0.00 54.79 53.22 1ni7 n ASP 82 Cb 0.00 1.88 -0.01 0.00 -1.03 0.00 0.00 41.12 41.95 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 -2.90 -0.18 -0.15 -1.12 0.15 -1.26 -1.33 113.70 106.91 1ni7 s SER 83 Ca 0.19 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.48 1ni7 s SER 83 Cb -0.02 0.31 -0.24 0.00 -1.71 0.00 0.00 66.02 64.37 1ni7 s SER 83 CO 0.03 -0.55 0.41 -0.33 1.20 0.00 0.00 173.24 174.00 1ni7 h GLU 84 N 2.00 0.12 -6.20 5.44 4.39 -1.87 -3.44 114.58 115.02 1ni7 h GLU 84 Ca -0.23 -0.20 -0.56 0.00 0.34 0.00 0.00 59.36 58.71 1ni7 h GLU 84 Cb 1.21 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1ni7 h GLU 84 CO 0.27 1.10 1.33 0.41 -1.16 0.00 0.00 179.01 180.96 1ni7 n GLY 85 N 1.63 1.49 0.34 -3.84 0.00 -1.26 -4.86 105.19 98.69 1ni7 n GLY 85 Ca -0.27 0.81 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 1ni7 n GLY 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ni7 h ARG 86 N 12.27 -0.11 0.81 1.61 0.11 -1.92 1.17 114.38 128.31 1ni7 h ARG 86 Ca -0.46 0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.59 1ni7 h ARG 86 Cb 1.24 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1ni7 h ARG 86 CO 0.95 -0.07 -0.42 0.82 0.10 0.00 0.00 179.97 181.35 1ni7 h ILE 87 N -0.11 0.00 -0.92 0.08 1.08 -1.89 -0.89 117.51 114.86 1ni7 h ILE 87 Ca 0.27 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 65.01 1ni7 h ILE 87 Cb 0.56 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.16 1ni7 h ILE 87 CO -0.75 0.00 0.32 0.58 -0.69 0.00 0.00 178.15 177.61 1ni7 h VAL 88 N -1.13 0.28 -0.22 1.67 2.07 -1.68 0.66 116.25 117.90 1ni7 h VAL 88 Ca -0.11 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1ni7 h VAL 88 Cb 0.88 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1ni7 h VAL 88 CO 0.16 0.04 0.03 0.03 0.02 0.00 0.00 177.57 177.85 1ni7 h ARG 89 N 0.22 0.11 -0.51 1.57 2.47 0.18 -2.18 114.38 116.23 1ni7 h ARG 89 Ca 0.61 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.31 1ni7 h ARG 89 Cb 1.30 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.58 1ni7 h ARG 89 CO -0.67 0.07 0.26 0.78 0.56 0.00 0.00 179.97 180.98 1ni7 h GLY 90 N 0.11 0.78 -0.11 0.04 0.00 0.16 -2.39 103.07 101.66 1ni7 h GLY 90 Ca 0.10 -0.37 0.21 0.00 0.00 0.00 0.00 47.33 47.27 1ni7 h GLY 90 CO -0.15 0.35 0.41 1.41 0.00 0.00 0.00 176.54 178.56 1ni7 h LEU 91 N 0.68 0.38 -0.02 3.11 3.38 -0.11 0.93 115.31 123.66 1ni7 h LEU 91 Ca 0.18 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1ni7 h LEU 91 Cb 0.09 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1ni7 h LEU 91 CO -0.03 0.05 -0.28 -0.07 0.09 0.00 0.00 178.44 178.20 1ni7 h LEU 92 N 0.45 -0.85 -0.54 1.67 3.38 -0.87 -2.31 115.31 116.24 1ni7 h LEU 92 Ca 0.54 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.67 1ni7 h LEU 92 Cb 0.98 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1ni7 h LEU 92 CO -0.49 -0.35 -0.32 0.00 0.09 0.00 0.00 178.44 177.37 1ni7 n ALA 93 N -2.72 -0.35 -0.31 1.53 0.00 0.31 0.19 120.51 119.16 1ni7 n ALA 93 Ca -0.05 0.46 0.17 0.00 0.00 0.00 0.00 53.44 54.02 1ni7 n ALA 93 Cb 0.30 0.11 0.35 0.00 0.00 0.00 0.00 19.45 20.22 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 0.23 0.19 0.00 2.07 -1.30 0.66 116.25 118.10 1ni7 h VAL 94 Ca 0.09 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1ni7 h VAL 94 Cb 0.22 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1ni7 h VAL 94 CO -0.51 0.03 -0.09 -0.07 0.02 0.00 0.00 177.57 176.95 1ni7 h LEU 95 N 0.18 -0.22 -1.74 2.57 4.07 0.27 0.22 115.31 120.66 1ni7 h LEU 95 Ca 0.62 -0.03 0.14 0.00 0.08 0.00 0.00 57.88 58.70 1ni7 h LEU 95 Cb 1.34 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 43.10 1ni7 h LEU 95 CO -0.70 -0.12 0.45 -0.07 -1.08 0.00 0.00 178.44 176.92 1ni7 h LEU 96 N -0.30 0.24 -0.38 1.67 -0.00 0.48 0.47 115.31 117.50 1ni7 h LEU 96 Ca -0.03 0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.69 1ni7 h LEU 96 Cb 0.23 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1ni7 h LEU 96 CO 0.04 0.13 -0.82 0.74 -0.00 0.00 0.00 178.44 178.54 1ni7 h THR 97 N 0.26 1.53 -0.01 0.22 2.02 0.53 -3.07 112.91 114.40 1ni7 h THR 97 Ca 0.31 -2.63 -0.16 0.00 0.77 0.00 0.00 66.41 64.70 1ni7 h THR 97 Cb 0.87 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.70 1ni7 h THR 97 CO -0.07 0.76 -0.76 0.00 0.37 0.00 0.00 175.52 175.82 1ni7 h ALA 98 N 1.11 0.73 -0.73 6.16 0.00 0.30 -2.93 119.26 123.89 1ni7 h ALA 98 Ca -0.02 -0.67 -0.40 0.00 0.00 0.00 0.00 54.91 53.82 1ni7 h ALA 98 Cb 1.43 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.89 1ni7 h ALA 98 CO 0.12 0.90 0.51 1.33 0.00 0.00 0.00 179.25 182.10 1ni7 n VAL 99 N -3.68 2.71 -1.55 0.00 0.24 0.90 -4.83 118.33 112.12 1ni7 n VAL 99 Ca -0.02 -1.55 -0.17 0.00 -2.04 0.00 0.00 64.34 60.56 1ni7 n VAL 99 Cb 0.73 -0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 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 -0.62 0.48 -4.02 7.34 0.00 -1.11 -3.07 120.64 119.64 1ni7 n GLU 100 Ca 0.44 -0.60 -0.31 0.00 0.00 0.00 0.00 57.16 56.69 1ni7 n GLU 100 Cb 1.23 -3.12 -0.07 0.00 0.00 0.00 0.00 31.44 29.47 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ni7 n GLY 101 N 6.49 -0.22 3.95 8.31 0.00 -1.26 -4.88 105.19 117.58 1ni7 n GLY 101 Ca 0.51 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.40 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 -6.39 3.29 0.11 1.61 1.02 -1.17 -4.75 119.74 113.45 1ni7 s LYS 102 Ca 0.37 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.75 1ni7 s LYS 102 Cb -0.21 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1ni7 s LYS 102 CO 0.84 0.02 0.41 0.95 -0.92 0.00 0.00 175.35 176.65 1ni7 s THR 103 N -2.35 5.09 0.20 2.17 -4.23 -1.26 -3.19 115.64 112.06 1ni7 s THR 103 Ca 0.43 0.35 -0.24 0.00 -1.18 0.00 0.00 61.69 61.05 1ni7 s THR 103 Cb -0.10 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.19 1ni7 s THR 103 CO 0.35 0.18 1.55 0.00 -0.54 0.00 0.00 174.62 176.16 1ni7 h ALA 104 N 3.34 -0.19 -0.44 3.99 0.00 -1.95 0.76 119.26 124.77 1ni7 h ALA 104 Ca -0.48 0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ni7 h ALA 104 Cb 1.18 1.19 -0.09 0.00 0.00 0.00 0.00 17.79 20.07 1ni7 h ALA 104 CO 0.68 -0.80 -0.20 0.00 0.00 0.00 0.00 179.25 178.93 1ni7 h ALA 105 N 0.94 0.12 -0.36 0.00 0.00 -1.94 -0.78 119.26 117.25 1ni7 h ALA 105 Ca 0.25 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.39 1ni7 h ALA 105 Cb 0.51 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1ni7 h ALA 105 CO -0.96 -0.55 -0.34 0.93 0.00 0.00 0.00 179.25 178.32 1ni7 h GLU 106 N -0.11 -0.28 -0.68 0.00 5.08 0.05 0.32 114.58 118.95 1ni7 h GLU 106 Ca 0.21 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.74 1ni7 h GLU 106 Cb 0.44 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 1ni7 h GLU 106 CO -0.52 -0.19 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.18 1ni7 h LEU 107 N -0.29 -0.42 -1.68 1.33 3.38 0.47 1.21 115.31 119.30 1ni7 h LEU 107 Ca 0.15 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1ni7 h LEU 107 Cb 0.55 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ni7 h LEU 107 CO -0.52 -0.17 -0.17 1.56 0.09 0.00 0.00 178.44 179.23 1ni7 h GLN 108 N 0.07 0.00 0.00 1.13 4.20 0.11 0.08 115.11 120.70 1ni7 h GLN 108 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1ni7 h GLN 108 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1ni7 h GLN 108 CO -0.63 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 177.70 1ni7 h ALA 109 N 1.83 1.00 -1.99 3.87 0.00 0.48 -3.42 119.26 121.04 1ni7 h ALA 109 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1ni7 h ALA 109 Cb 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.78 1ni7 h ALA 109 CO 0.02 0.00 -0.51 -1.14 0.00 0.00 0.00 179.25 177.62 1ni7 s GLN 110 N -3.28 0.33 0.41 0.00 -0.44 0.18 -5.06 119.66 111.80 1ni7 s GLN 110 Ca 0.06 0.45 -0.26 0.00 -2.50 0.00 0.00 55.36 53.12 1ni7 s GLN 110 Cb 0.06 -0.59 -0.09 0.00 -1.64 0.00 0.00 33.01 30.75 1ni7 s GLN 110 CO 0.64 -0.67 1.30 -1.12 0.50 0.00 0.00 175.29 175.94 1ni7 s SER 111 N 2.51 6.28 0.00 6.67 0.01 -1.12 -4.36 113.70 123.69 1ni7 s SER 111 Ca 0.12 2.63 0.23 0.00 1.31 0.00 0.00 55.95 60.24 1ni7 s SER 111 Cb -0.15 -2.64 1.21 0.00 0.21 0.00 0.00 66.02 64.65 1ni7 s SER 111 CO -0.16 -0.87 1.75 -0.81 0.41 0.00 0.00 173.24 173.57 1ni7 n PRO 112 N 0.08 0.42 0.11 12.44 -0.04 -1.26 -2.79 135.00 143.95 1ni7 n PRO 112 Ca 0.04 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 1ni7 n PRO 112 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.82 -1.86 1.53 3.38 -1.97 -3.22 115.31 114.00 1ni7 h LEU 113 Ca 0.00 -0.87 0.55 0.00 0.09 0.00 0.00 57.88 57.65 1ni7 h LEU 113 Cb 0.17 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1ni7 h LEU 113 CO 0.00 1.62 1.30 0.00 0.09 0.00 0.00 178.44 181.46 1ni7 h ALA 114 N 0.21 3.64 0.32 1.53 0.00 -1.91 1.52 119.26 124.57 1ni7 h ALA 114 Ca -0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ni7 h ALA 114 Cb 1.98 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1ni7 h ALA 114 CO 0.24 -2.24 -0.15 1.25 0.00 0.00 0.00 179.25 178.35 1ni7 h LEU 115 N 0.00 -0.36 -0.87 0.00 5.85 -1.76 0.40 115.31 118.57 1ni7 h LEU 115 Ca 0.93 -0.12 0.20 0.00 0.84 0.00 0.00 57.88 59.72 1ni7 h LEU 115 Cb 3.57 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 44.58 1ni7 h LEU 115 CO -0.11 -0.08 0.38 -0.26 -0.34 0.00 0.00 178.44 178.03 1ni7 h PHE 116 N -0.66 0.64 0.00 1.25 -1.00 0.20 0.87 116.94 118.24 1ni7 h PHE 116 Ca -0.04 0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1ni7 h PHE 116 Cb 0.46 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1ni7 h PHE 116 CO 0.00 0.01 -0.48 0.22 -1.61 0.00 0.00 178.31 176.45 1ni7 h ASP 117 N 0.44 0.00 0.70 2.17 3.58 -1.25 0.94 116.42 123.01 1ni7 h ASP 117 Ca 0.52 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 1ni7 h ASP 117 Cb 0.92 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.98 1ni7 h ASP 117 CO -0.48 0.48 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.69 1ni7 h GLU 118 N 0.00 -0.91 0.00 0.28 4.39 0.29 -3.15 114.58 115.48 1ni7 h GLU 118 Ca -0.00 0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 1ni7 h GLU 118 Cb 0.93 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ni7 h GLU 118 CO 0.06 -0.58 -0.46 -0.07 -1.16 0.00 0.00 179.01 176.80 1ni7 h LEU 119 N -1.18 0.00 -1.23 1.33 3.38 -1.00 -3.48 115.31 113.13 1ni7 h LEU 119 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ni7 h LEU 119 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ni7 h LEU 119 CO 0.16 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.76 1ni7 n GLY 120 N 0.63 0.77 0.10 0.83 0.00 0.29 -4.98 105.19 102.84 1ni7 n GLY 120 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ni7 h LEU 121 N 0.00 0.00 -1.35 0.99 3.38 -0.96 -3.24 115.31 114.13 1ni7 h LEU 121 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ni7 h LEU 121 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1ni7 h LEU 121 CO 0.00 0.65 -0.05 -0.09 0.09 0.00 0.00 178.44 179.04 1ni7 h ARG 122 N 0.00 0.00 -1.00 1.13 2.43 -1.94 -2.95 114.38 112.06 1ni7 h ARG 122 Ca -0.10 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.28 1ni7 h ARG 122 Cb 1.59 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 31.02 1ni7 h ARG 122 CO 0.07 0.05 0.60 0.00 -1.51 0.00 0.00 179.97 179.17 1ni7 h ALA 123 N 1.95 1.70 0.07 2.80 0.00 -1.86 0.31 119.26 124.22 1ni7 h ALA 123 Ca -0.00 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1ni7 h ALA 123 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ni7 h ALA 123 CO 0.01 -0.13 -1.10 1.96 0.00 0.00 0.00 179.25 179.98 1ni7 h GLN 124 N 0.69 0.20 0.00 0.00 1.08 -1.75 -3.45 115.11 111.87 1ni7 h GLN 124 Ca 0.60 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 57.45 1ni7 h GLN 124 Cb 1.01 0.11 0.03 0.00 -0.05 0.00 0.00 27.48 28.58 1ni7 h GLN 124 CO -0.42 1.11 -0.02 1.28 -0.95 0.00 0.00 178.83 179.83 1ni7 n LEU 125 N -3.52 0.00 -3.82 1.46 4.77 0.11 -5.08 117.00 110.92 1ni7 n LEU 125 Ca -0.05 -0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 55.75 1ni7 n LEU 125 Cb 0.95 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1ni7 n LEU 125 CO 0.51 -1.60 0.66 -0.44 -1.33 0.00 0.00 177.39 175.19 1ni7 s SER 126 N -2.11 -0.11 0.17 -1.43 0.01 -1.26 -5.00 113.70 103.97 1ni7 s SER 126 Ca 0.09 -0.66 -0.28 0.00 1.31 0.00 0.00 55.95 56.41 1ni7 s SER 126 Cb -0.01 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.82 1ni7 s SER 126 CO 0.07 -1.17 1.55 0.00 0.41 0.00 0.00 173.24 174.11 1ni7 h ALA 127 N 2.00 -0.43 -0.39 1.44 0.00 -1.97 1.53 119.26 121.45 1ni7 h ALA 127 Ca -0.26 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ni7 h ALA 127 Cb 1.23 1.18 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1ni7 h ALA 127 CO 0.31 -0.90 0.00 0.45 0.00 0.00 0.00 179.25 179.11 1ni7 n SER 128 N -5.34 0.00 -0.23 0.00 2.88 -1.26 0.02 113.62 109.69 1ni7 n SER 128 Ca 0.02 0.93 0.03 0.00 -1.33 0.00 0.00 58.87 58.52 1ni7 n SER 128 Cb 0.32 -0.43 0.15 0.00 -0.75 0.00 0.00 64.21 63.49 1ni7 n SER 128 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ni7 h ARG 129 N 0.00 0.37 -0.85 -1.46 -0.00 -1.60 0.23 114.38 111.08 1ni7 h ARG 129 Ca 0.00 -0.02 0.21 0.00 -0.50 0.00 0.00 59.98 59.67 1ni7 h ARG 129 Cb 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 29.97 29.75 1ni7 h ARG 129 CO 0.00 0.24 0.23 0.66 0.00 0.00 0.00 179.97 181.10 1ni7 h SER 130 N 0.38 0.02 -0.57 7.04 4.64 0.40 1.41 113.55 126.86 1ni7 h SER 130 Ca 0.36 0.18 0.17 0.00 -0.47 0.00 0.00 61.79 62.03 1ni7 h SER 130 Cb 0.53 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1ni7 h SER 130 CO -0.39 -0.11 0.57 -0.61 -0.87 0.00 0.00 176.83 175.42 1ni7 h GLN 131 N 0.24 0.00 0.02 4.77 4.15 0.18 0.64 115.11 125.10 1ni7 h GLN 131 Ca 0.52 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.66 1ni7 h GLN 131 Cb 1.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 1ni7 h GLN 131 CO -0.61 0.00 -1.54 0.78 -1.93 0.00 0.00 178.83 175.53 1ni7 h GLY 132 N 0.00 0.04 1.01 2.39 0.00 0.22 -2.72 103.07 104.01 1ni7 h GLY 132 Ca 0.27 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1ni7 h GLY 132 CO -0.00 0.10 0.14 1.41 0.00 0.00 0.00 176.54 178.19 1ni7 h LEU 133 N 0.01 0.87 -0.29 3.11 4.07 0.10 0.19 115.31 123.37 1ni7 h LEU 133 Ca -0.22 -0.23 -0.20 0.00 0.08 0.00 0.00 57.88 57.30 1ni7 h LEU 133 Cb 1.96 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 43.46 1ni7 h LEU 133 CO 0.10 0.88 -0.84 -0.55 -1.08 0.00 0.00 178.44 176.94 1ni7 h ASN 134 N 0.83 0.43 -0.53 -0.43 -1.07 -1.28 -0.39 115.58 113.14 1ni7 h ASN 134 Ca 0.18 -0.32 -0.06 0.00 0.07 0.00 0.00 56.30 56.17 1ni7 h ASN 134 Cb 0.34 -0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 36.44 1ni7 h ASN 134 CO 0.00 1.10 0.11 0.00 0.07 0.00 0.00 177.43 178.71 1ni7 h ALA 135 N 0.88 1.11 -0.04 4.14 0.00 -1.14 1.15 119.26 125.37 1ni7 h ALA 135 Ca -0.05 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1ni7 h ALA 135 Cb 1.45 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ni7 h ALA 135 CO 0.14 0.59 -0.71 -0.07 0.00 0.00 0.00 179.25 179.20 1ni7 h LEU 136 N 0.87 0.69 0.24 0.00 3.38 -0.55 -2.71 115.31 117.23 1ni7 h LEU 136 Ca 0.18 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1ni7 h LEU 136 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ni7 h LEU 136 CO 0.00 1.31 -0.12 -1.28 0.09 0.00 0.00 178.44 178.45 1ni7 h SER 137 N 0.14 -0.28 -0.87 -0.43 0.87 -0.77 -2.75 113.55 109.46 1ni7 h SER 137 Ca -0.08 -0.19 0.23 0.00 -1.23 0.00 0.00 61.79 60.53 1ni7 h SER 137 Cb 1.38 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.37 1ni7 h SER 137 CO 0.14 0.05 0.61 1.05 -0.53 0.00 0.00 176.83 178.14 1ni7 h GLU 138 N -0.62 0.12 -0.67 2.24 4.11 0.13 0.33 114.58 120.21 1ni7 h GLU 138 Ca -0.03 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.46 1ni7 h GLU 138 Cb 0.45 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1ni7 h GLU 138 CO 0.06 0.08 0.35 0.00 0.07 0.00 0.00 179.01 179.57 1ni7 h ALA 139 N 1.59 0.90 -0.00 1.06 0.00 -1.17 0.73 119.26 122.36 1ni7 h ALA 139 Ca 0.43 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 55.13 1ni7 h ALA 139 Cb 1.49 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1ni7 h ALA 139 CO -0.06 -0.00 -0.98 0.82 0.00 0.00 0.00 179.25 179.03 1ni7 h ILE 140 N 0.63 1.35 -0.41 0.00 2.04 -0.43 -2.76 117.51 117.94 1ni7 h ILE 140 Ca 0.31 -2.35 0.02 0.00 1.00 0.00 0.00 64.86 63.84 1ni7 h ILE 140 Cb 0.25 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1ni7 h ILE 140 CO -0.21 0.71 0.23 0.40 0.00 0.00 0.00 178.15 179.28 1ni7 h ILE 141 N 0.30 1.03 -0.96 -0.67 1.08 -0.04 0.74 117.51 119.00 1ni7 h ILE 141 Ca -0.10 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ni7 h ILE 141 Cb 1.62 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 1ni7 h ILE 141 CO 0.18 0.09 0.62 0.00 -0.69 0.00 0.00 178.15 178.34 1ni7 h ALA 142 N 1.19 1.28 0.37 1.87 0.00 0.41 0.42 119.26 124.80 1ni7 h ALA 142 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ni7 h ALA 142 Cb 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1ni7 h ALA 142 CO -0.08 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 1ni7 h ALA 143 N 1.37 -0.50 -1.00 0.00 0.00 -0.97 -2.95 119.26 115.20 1ni7 h ALA 143 Ca 0.35 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.32 1ni7 h ALA 143 Cb -0.12 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1ni7 h ALA 143 CO -0.07 -0.61 0.65 1.79 0.00 0.00 0.00 179.25 181.01 1ni7 h THR 144 N -0.86 0.58 -0.60 0.00 1.35 0.71 0.88 112.91 114.98 1ni7 h THR 144 Ca -0.05 -0.15 0.06 0.00 -0.55 0.00 0.00 66.41 65.72 1ni7 h THR 144 Cb 0.54 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.04 1ni7 h THR 144 CO 0.08 0.08 0.40 0.50 -0.25 0.00 0.00 175.52 176.33 1ni7 h LYS 145 N 0.42 0.57 -0.02 4.72 3.64 -0.75 1.09 116.57 126.25 1ni7 h LYS 145 Ca 0.56 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.68 1ni7 h LYS 145 Cb 1.37 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1ni7 h LYS 145 CO -0.27 0.38 -0.85 1.96 -2.27 0.00 0.00 179.45 178.40 1ni7 h GLN 146 N 0.59 0.62 0.21 1.90 1.08 0.84 -2.88 115.11 117.47 1ni7 h GLN 146 Ca 0.26 -0.63 -0.01 0.00 -1.45 0.00 0.00 58.65 56.81 1ni7 h GLN 146 Cb 0.26 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1ni7 h GLN 146 CO -0.07 1.24 -0.10 0.28 -0.95 0.00 0.00 178.83 179.23 1ni7 h VAL 147 N 0.25 0.88 -0.81 -0.54 2.07 -0.25 -3.05 116.25 114.80 1ni7 h VAL 147 Ca -0.10 -0.69 0.19 0.00 0.82 0.00 0.00 66.70 66.92 1ni7 h VAL 147 Cb 1.52 1.28 -0.14 0.00 -1.52 0.00 0.00 31.29 32.43 1ni7 h VAL 147 CO 0.17 0.15 0.02 -0.07 0.02 0.00 0.00 177.57 177.86 1ni7 h LEU 148 N -0.63 -0.35 0.00 2.57 3.38 0.11 -3.51 115.31 116.88 1ni7 h LEU 148 Ca -0.03 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ni7 h LEU 148 Cb 0.46 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ni7 h LEU 148 CO 0.05 -0.20 0.00 1.21 0.09 0.00 0.00 178.44 179.58