#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 4.54 0.11 2.03 2.01 -1.26 -5.11 115.64 117.97 1ni7 s THR 2 Ca 0.00 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.60 1ni7 s THR 2 Cb 0.00 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.05 1ni7 s THR 2 CO 0.00 -0.24 0.57 0.20 -0.69 0.00 0.00 174.62 174.46 1ni7 s ASN 3 N -3.53 6.96 1.01 3.53 0.01 -1.26 -5.08 114.94 116.58 1ni7 s ASN 3 Ca 0.32 1.19 -0.02 0.00 -0.71 0.00 0.00 52.86 53.65 1ni7 s ASN 3 Cb -0.09 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.26 1ni7 s ASN 3 CO 0.25 0.19 0.12 -0.81 -1.51 0.00 0.00 177.10 175.33 1ni7 n PRO 4 N 1.26 -0.67 -1.12 -0.60 -0.04 -1.26 -5.11 135.00 127.47 1ni7 n PRO 4 Ca -0.08 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1ni7 n PRO 4 Cb 0.51 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1ni7 n PRO 4 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ni7 n GLN 5 N -1.55 0.00 -3.60 0.54 6.02 -1.26 -5.19 117.38 112.34 1ni7 n GLN 5 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.93 1ni7 n GLN 5 Cb 0.06 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.34 1ni7 n GLN 5 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1ni7 n PHE 6 N 0.00 -2.06 -4.63 1.08 -1.74 -1.26 -5.18 117.46 103.66 1ni7 n PHE 6 Ca 0.00 -1.61 -0.29 0.00 -0.56 0.00 0.00 57.45 55.00 1ni7 n PHE 6 Cb 0.00 0.80 -0.09 0.00 1.52 0.00 0.00 39.48 41.71 1ni7 n PHE 6 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ni7 s ALA 7 N -1.99 3.37 0.24 1.98 0.00 -1.26 -5.14 121.76 118.96 1ni7 s ALA 7 Ca 0.16 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1ni7 s ALA 7 Cb -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1ni7 s ALA 7 CO 0.10 -0.15 0.06 0.41 0.00 0.00 0.00 175.76 176.18 1ni7 n GLY 8 N -1.03 3.68 3.65 0.00 0.00 -1.26 -5.13 105.19 105.09 1ni7 n GLY 8 Ca -0.10 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.82 1ni7 n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ni7 s HIS 9 N -2.30 -0.10 -0.54 1.61 -3.43 -1.26 -5.02 115.29 104.25 1ni7 s HIS 9 Ca 0.09 0.21 0.25 0.00 -0.80 0.00 0.00 55.06 54.81 1ni7 s HIS 9 Cb 0.00 0.25 0.90 0.00 -1.43 0.00 0.00 32.58 32.30 1ni7 s HIS 9 CO 0.06 -0.05 1.75 -1.00 -2.00 0.00 0.00 174.74 173.51 1ni7 h PRO 10 N 4.30 0.00 -5.11 -0.38 0.13 -1.99 -3.41 132.00 125.54 1ni7 h PRO 10 Ca -0.27 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.48 1ni7 h PRO 10 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ni7 h PRO 10 CO 0.21 0.00 1.22 1.19 -0.23 0.00 0.00 178.00 180.39 1ni7 n PHE 11 N -2.37 1.91 0.00 1.56 3.72 -1.26 0.15 117.46 121.18 1ni7 n PHE 11 Ca 0.04 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 1ni7 n PHE 11 Cb 0.34 -2.20 0.00 0.00 -0.94 0.00 0.00 39.48 36.68 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 5.45 -0.27 0.00 1.37 0.00 0.25 -2.70 105.19 109.29 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 -0.17 2.61 -1.04 -1.13 -3.93 114.28 110.61 1ni7 n THR 13 Ca 0.00 0.19 -0.07 0.00 -2.04 0.00 0.00 64.05 62.13 1ni7 n THR 13 Cb 0.00 -0.89 0.02 0.00 -1.82 0.00 0.00 70.33 67.63 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 1.16 -3.29 12.58 2.02 -1.87 -3.27 112.91 120.24 1ni7 h THR 14 Ca 0.00 -0.38 -0.72 0.00 0.77 0.00 0.00 66.41 66.08 1ni7 h THR 14 Cb 0.00 0.50 -0.34 0.00 -1.74 0.00 0.00 68.15 66.57 1ni7 h THR 14 CO 0.00 0.17 -0.00 0.52 0.37 0.00 0.00 175.52 176.58 1ni7 n VAL 15 N -4.68 3.29 -2.38 3.16 0.31 0.40 -4.89 118.33 113.55 1ni7 n VAL 15 Ca 0.02 -5.19 -0.24 0.00 -0.01 0.00 0.00 64.34 58.92 1ni7 n VAL 15 Cb 0.06 -2.38 0.08 0.00 -0.91 0.00 0.00 33.84 30.69 1ni7 n VAL 15 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ni7 s THR 16 N -1.47 2.31 0.49 2.52 2.01 -1.24 -0.59 115.64 119.68 1ni7 s THR 16 Ca 0.29 -0.43 0.16 0.00 0.31 0.00 0.00 61.69 62.02 1ni7 s THR 16 Cb -0.06 -2.89 0.24 0.00 0.01 0.00 0.00 72.50 69.80 1ni7 s THR 16 CO -0.11 0.00 2.09 0.00 -0.69 0.00 0.00 174.62 175.91 1ni7 h ALA 17 N -0.51 1.86 0.21 7.40 0.00 -1.84 -1.12 119.26 125.26 1ni7 h ALA 17 Ca -0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1ni7 h ALA 17 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ni7 h ALA 17 CO 0.51 0.09 -0.10 1.49 0.00 0.00 0.00 179.25 181.24 1ni7 h GLU 18 N 0.00 -0.27 -1.04 0.00 4.81 -1.96 -2.73 114.58 113.38 1ni7 h GLU 18 Ca -0.00 0.02 0.31 0.00 -0.13 0.00 0.00 59.36 59.55 1ni7 h GLU 18 Cb 0.13 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.44 1ni7 h GLU 18 CO 0.01 -0.18 0.62 1.15 -0.73 0.00 0.00 179.01 179.88 1ni7 h THR 19 N -1.02 0.37 -0.66 0.32 2.02 -1.87 1.18 112.91 113.25 1ni7 h THR 19 Ca -0.03 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 1ni7 h THR 19 Cb 0.22 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1ni7 h THR 19 CO 0.05 0.07 0.10 -0.07 0.37 0.00 0.00 175.52 176.03 1ni7 h LEU 20 N 0.37 1.04 -2.65 2.58 3.38 -1.28 -1.41 115.31 117.34 1ni7 h LEU 20 Ca 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1ni7 h LEU 20 Cb 1.64 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1ni7 h LEU 20 CO -0.51 1.04 0.00 -0.09 0.09 0.00 0.00 178.44 178.97 1ni7 h ARG 21 N 1.02 0.00 -0.14 1.13 2.43 0.17 0.23 114.38 119.22 1ni7 h ARG 21 Ca 0.20 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 1ni7 h ARG 21 Cb 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ni7 h ARG 21 CO 0.01 0.00 -0.62 -0.97 -1.51 0.00 0.00 179.97 176.88 1ni7 h ASN 22 N 0.00 0.57 0.75 -3.80 -0.73 -0.52 1.11 115.58 112.96 1ni7 h ASN 22 Ca 0.00 -0.33 -0.25 0.00 1.87 0.00 0.00 56.30 57.59 1ni7 h ASN 22 Cb 0.08 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1ni7 h ASN 22 CO 0.00 1.05 -1.14 0.74 -0.37 0.00 0.00 177.43 177.71 1ni7 h THR 23 N 0.37 1.57 0.00 -3.57 2.02 -0.99 -3.26 112.91 109.05 1ni7 h THR 23 Ca -0.01 -3.16 -0.05 0.00 0.77 0.00 0.00 66.41 63.96 1ni7 h THR 23 Cb 1.18 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 70.47 1ni7 h THR 23 CO 0.11 0.92 -0.75 -0.26 0.37 0.00 0.00 175.52 175.91 1ni7 h PHE 24 N 0.05 0.00 -0.89 3.16 0.04 -1.20 -3.30 116.94 114.81 1ni7 h PHE 24 Ca -0.09 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.81 1ni7 h PHE 24 Cb 1.88 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.89 1ni7 h PHE 24 CO 0.04 0.20 -0.41 0.00 -0.60 0.00 0.00 178.31 177.54 1ni7 h ALA 25 N 1.80 -0.01 -0.05 2.45 0.00 0.12 -0.06 119.26 123.52 1ni7 h ALA 25 Ca -0.03 0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 1ni7 h ALA 25 Cb 1.18 1.02 0.01 0.00 0.00 0.00 0.00 17.79 20.00 1ni7 h ALA 25 CO 0.02 -0.69 -0.75 -1.00 0.00 0.00 0.00 179.25 176.83 1ni7 h PRO 26 N -0.05 0.59 -5.60 0.00 0.13 -1.75 -3.39 132.00 121.92 1ni7 h PRO 26 Ca 0.29 -0.57 -0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1ni7 h PRO 26 Cb 0.57 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.80 1ni7 h PRO 26 CO -0.91 1.19 0.74 -0.51 -0.23 0.00 0.00 178.00 178.28 1ni7 s LEU 27 N -8.33 3.09 0.17 1.56 1.43 -0.04 -4.65 118.68 111.90 1ni7 s LEU 27 Ca -0.12 -0.88 0.18 0.00 -1.03 0.00 0.00 54.13 52.29 1ni7 s LEU 27 Cb 0.06 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1ni7 s LEU 27 CO 0.87 -2.99 1.05 0.00 0.23 0.00 0.00 176.35 175.50 1ni7 h THR 28 N 7.00 0.39 -3.19 5.49 1.03 -1.78 -3.44 112.91 118.41 1ni7 h THR 28 Ca 0.12 -1.69 -0.56 0.00 -0.01 0.00 0.00 66.41 64.26 1ni7 h THR 28 Cb 0.99 1.95 -0.04 0.00 -1.07 0.00 0.00 68.15 69.97 1ni7 h THR 28 CO 1.19 0.22 0.65 -1.10 -0.01 0.00 0.00 175.52 176.47 1ni7 s GLN 29 N -3.07 4.37 0.31 0.00 -0.21 -1.26 -4.91 119.66 114.89 1ni7 s GLN 29 Ca -0.00 1.40 0.07 0.00 0.02 0.00 0.00 55.36 56.85 1ni7 s GLN 29 Cb 0.08 -3.58 0.80 0.00 1.00 0.00 0.00 33.01 31.32 1ni7 s GLN 29 CO 0.78 -0.42 1.75 2.35 -2.12 0.00 0.00 175.29 177.63 1ni7 h TRP 30 N 7.23 1.04 -0.84 0.91 7.01 -1.93 0.30 115.95 129.67 1ni7 h TRP 30 Ca -0.27 0.04 0.21 0.00 2.11 0.00 0.00 58.89 60.98 1ni7 h TRP 30 Cb 1.12 -0.31 -0.14 0.00 -2.10 0.00 0.00 29.16 27.73 1ni7 h TRP 30 CO 0.73 0.16 0.12 0.93 -2.79 0.00 0.00 178.44 177.58 1ni7 h GLU 31 N 0.68 0.14 0.45 2.65 4.39 -1.98 0.30 114.58 121.22 1ni7 h GLU 31 Ca 0.61 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.28 1ni7 h GLU 31 Cb 1.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1ni7 h GLU 31 CO -0.43 0.09 -0.22 -0.44 -1.16 0.00 0.00 179.01 176.86 1ni7 h ASP 32 N 0.15 -0.51 -0.72 1.42 3.32 -0.79 0.53 116.42 119.81 1ni7 h ASP 32 Ca 0.50 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.57 1ni7 h ASP 32 Cb 0.97 0.13 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 1ni7 h ASP 32 CO -0.69 -0.19 -0.42 0.11 -1.72 0.00 0.00 179.24 176.34 1ni7 h LYS 33 N -0.85 -0.13 -0.63 3.56 1.57 -0.62 1.32 116.57 120.78 1ni7 h LYS 33 Ca -0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ni7 h LYS 33 Cb 0.57 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1ni7 h LYS 33 CO 0.10 -0.09 0.40 -0.92 -0.57 0.00 0.00 179.45 178.38 1ni7 h TYR 34 N -0.14 0.80 0.36 -1.35 5.03 -0.46 0.48 116.97 121.69 1ni7 h TYR 34 Ca 0.23 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 1ni7 h TYR 34 Cb 0.56 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1ni7 h TYR 34 CO -0.76 0.52 -0.17 -0.09 -1.32 0.00 0.00 178.16 176.33 1ni7 h ARG 35 N 0.86 -0.47 -0.71 1.82 2.43 0.28 -2.94 114.38 115.66 1ni7 h ARG 35 Ca 0.23 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.56 1ni7 h ARG 35 Cb -0.08 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1ni7 h ARG 35 CO -0.05 -0.31 0.47 0.37 -1.51 0.00 0.00 179.97 178.94 1ni7 h GLN 36 N -0.70 0.42 -0.90 0.20 -0.00 0.14 0.66 115.11 114.93 1ni7 h GLN 36 Ca -0.05 -0.03 0.14 0.00 -0.00 0.00 0.00 58.65 58.71 1ni7 h GLN 36 Cb 0.37 -0.09 -0.09 0.00 0.00 0.00 0.00 27.48 27.67 1ni7 h GLN 36 CO 0.08 0.28 0.51 -0.07 0.00 0.00 0.00 178.83 179.63 1ni7 h LEU 37 N 0.43 0.68 -0.94 -2.39 3.38 -0.03 0.28 115.31 116.71 1ni7 h LEU 37 Ca 0.34 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.46 1ni7 h LEU 37 Cb 0.73 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 1ni7 h LEU 37 CO -0.11 0.32 0.59 0.40 0.09 0.00 0.00 178.44 179.73 1ni7 h ILE 38 N 0.75 1.03 -0.57 1.22 2.04 -0.67 -1.25 117.51 120.05 1ni7 h ILE 38 Ca 0.47 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 1ni7 h ILE 38 Cb 0.60 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1ni7 h ILE 38 CO -0.32 0.19 0.06 0.24 0.00 0.00 0.00 178.15 178.31 1ni7 h MET 39 N 1.04 0.98 -0.94 2.37 2.86 -0.50 -2.69 114.93 118.04 1ni7 h MET 39 Ca 0.42 -0.28 0.27 0.00 -2.06 0.00 0.00 59.70 58.05 1ni7 h MET 39 Cb 0.24 -0.10 -0.14 0.00 0.06 0.00 0.00 31.60 31.66 1ni7 h MET 39 CO -0.20 0.95 0.42 1.25 1.06 0.00 0.00 176.91 180.39 1ni7 h LEU 40 N 0.87 0.31 -0.02 1.22 6.46 0.07 0.19 115.31 124.40 1ni7 h LEU 40 Ca 0.17 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1ni7 h LEU 40 Cb 0.47 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1ni7 h LEU 40 CO 0.02 -0.11 -0.02 1.23 -0.62 0.00 0.00 178.44 178.94 1ni7 h GLY 41 N 0.31 0.06 -0.69 3.75 0.00 -1.34 -3.05 103.07 102.11 1ni7 h GLY 41 Ca 0.64 -0.06 0.36 0.00 0.00 0.00 0.00 47.33 48.26 1ni7 h GLY 41 CO -0.61 0.05 0.56 0.50 0.00 0.00 0.00 176.54 177.05 1ni7 h LYS 42 N -0.39 0.21 -0.57 4.80 1.79 -0.40 1.32 116.57 123.33 1ni7 h LYS 42 Ca 0.00 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1ni7 h LYS 42 Cb 0.49 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1ni7 h LYS 42 CO 0.01 0.14 0.32 1.96 -1.08 0.00 0.00 179.45 180.79 1ni7 h GLN 43 N 0.21 0.60 -6.51 3.15 4.20 -1.18 -3.42 115.11 112.16 1ni7 h GLN 43 Ca 0.78 -0.04 -0.61 0.00 0.06 0.00 0.00 58.65 58.84 1ni7 h GLN 43 Cb 1.88 -0.13 0.09 0.00 0.30 0.00 0.00 27.48 29.61 1ni7 h GLN 43 CO -0.66 0.40 0.39 -0.11 -0.67 0.00 0.00 178.83 178.17 1ni7 n LEU 44 N -4.81 2.40 -4.80 1.46 7.94 0.45 -4.92 117.00 114.72 1ni7 n LEU 44 Ca 0.05 1.16 -0.34 0.00 -1.11 0.00 0.00 56.01 55.77 1ni7 n LEU 44 Cb 0.12 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 42.69 1ni7 n LEU 44 CO 0.30 -0.93 0.72 -2.16 -1.11 0.00 0.00 177.39 174.21 1ni7 s PRO 45 N -0.83 3.82 -0.45 1.96 0.04 -1.26 -4.92 135.00 133.35 1ni7 s PRO 45 Ca 0.66 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1ni7 s PRO 45 Cb -0.71 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1ni7 s PRO 45 CO 0.54 -0.42 2.23 0.00 0.04 0.00 0.00 177.00 179.39 1ni7 s ALA 46 N -1.96 2.02 -0.24 8.56 0.00 -1.26 -4.85 121.76 124.02 1ni7 s ALA 46 Ca 0.67 0.06 -0.33 0.00 0.00 0.00 0.00 51.96 52.36 1ni7 s ALA 46 Cb -0.17 -4.27 -0.09 0.00 0.00 0.00 0.00 23.12 18.59 1ni7 s ALA 46 CO 0.20 -3.93 2.12 -0.11 0.00 0.00 0.00 175.76 174.04 1ni7 n LEU 47 N 14.17 2.85 -4.79 0.00 7.94 -1.26 -4.93 117.00 130.98 1ni7 n LEU 47 Ca 0.31 0.50 -0.29 0.00 -1.11 0.00 0.00 56.01 55.43 1ni7 n LEU 47 Cb 0.52 -1.39 0.13 0.00 0.53 0.00 0.00 43.42 43.21 1ni7 n LEU 47 CO 0.70 -0.53 0.71 -2.16 -1.11 0.00 0.00 177.39 175.00 1ni7 s PRO 48 N 5.67 1.33 0.56 1.96 0.04 -1.26 -4.81 135.00 138.49 1ni7 s PRO 48 Ca 1.02 0.36 0.33 0.00 0.04 0.00 0.00 61.00 62.75 1ni7 s PRO 48 Cb -0.65 -1.85 1.63 0.00 0.04 0.00 0.00 34.50 33.67 1ni7 s PRO 48 CO 0.45 -2.08 2.11 -0.44 0.04 0.00 0.00 177.00 177.08 1ni7 h ASP 49 N -1.42 0.00 0.17 6.66 5.19 -1.97 0.80 116.42 125.85 1ni7 h ASP 49 Ca -0.50 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 1ni7 h ASP 49 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1ni7 h ASP 49 CO 0.61 0.07 -0.08 -0.08 -3.12 0.00 0.00 179.24 176.64 1ni7 h GLU 50 N 0.00 -0.22 -0.03 3.56 4.57 -2.00 -1.99 114.58 118.48 1ni7 h GLU 50 Ca -0.00 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1ni7 h GLU 50 Cb 0.32 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1ni7 h GLU 50 CO 0.01 0.07 -0.68 -0.07 -1.18 0.00 0.00 179.01 177.16 1ni7 h LEU 51 N -0.51 0.16 -1.65 1.64 3.38 -1.85 -2.86 115.31 113.62 1ni7 h LEU 51 Ca -0.02 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ni7 h LEU 51 Cb 0.39 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1ni7 h LEU 51 CO 0.04 0.80 0.34 0.11 0.09 0.00 0.00 178.44 179.82 1ni7 h LYS 52 N 0.10 0.42 0.00 1.13 1.57 -0.75 0.56 116.57 119.59 1ni7 h LYS 52 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ni7 h LYS 52 Cb 1.22 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1ni7 h LYS 52 CO 0.10 0.28 -0.05 0.00 -0.57 0.00 0.00 179.45 179.20 1ni7 h ALA 53 N 1.73 0.98 0.00 3.86 0.00 -1.12 -2.70 119.26 122.00 1ni7 h ALA 53 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ni7 h ALA 53 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ni7 h ALA 53 CO -0.06 0.06 -0.50 1.96 0.00 0.00 0.00 179.25 180.72 1ni7 h GLN 54 N 0.00 0.00 -6.68 0.00 7.50 0.07 -3.46 115.11 112.54 1ni7 h GLN 54 Ca -0.00 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.65 1ni7 h GLN 54 Cb 0.81 0.00 0.03 0.00 0.05 0.00 0.00 27.48 28.37 1ni7 h GLN 54 CO 0.01 0.00 -0.07 0.00 -1.50 0.00 0.00 178.83 177.26 1ni7 s ALA 55 N -3.22 4.75 0.14 3.87 0.00 -0.15 -4.61 121.76 122.53 1ni7 s ALA 55 Ca 0.05 -2.22 0.10 0.00 0.00 0.00 0.00 51.96 49.89 1ni7 s ALA 55 Cb 0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1ni7 s ALA 55 CO 0.71 -0.95 -0.22 0.15 0.00 0.00 0.00 175.76 175.45 1ni7 s LYS 56 N -4.72 1.61 0.12 0.00 1.02 0.68 -4.85 119.74 113.60 1ni7 s LYS 56 Ca 0.63 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1ni7 s LYS 56 Cb -0.05 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1ni7 s LYS 56 CO 0.40 0.45 1.00 -2.00 -0.92 0.00 0.00 175.35 174.29 1ni7 s GLU 57 N -2.24 4.66 -0.01 1.68 2.12 -1.26 -1.47 118.70 122.18 1ni7 s GLU 57 Ca 0.17 1.52 0.01 0.00 0.36 0.00 0.00 54.97 57.04 1ni7 s GLU 57 Cb -0.10 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1ni7 s GLU 57 CO 0.09 0.15 -0.03 0.42 -0.54 0.00 0.00 175.26 175.35 1ni7 s ILE 58 N 0.04 0.29 -0.28 -3.70 1.01 -0.65 -4.96 121.20 112.95 1ni7 s ILE 58 Ca 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 1ni7 s ILE 58 Cb -0.25 -0.28 0.09 0.00 0.01 0.00 0.00 42.46 42.04 1ni7 s ILE 58 CO 0.31 0.10 0.11 0.00 0.00 0.00 0.00 174.94 175.47 1ni7 s ALA 59 N 0.16 0.83 0.00 9.38 0.00 -1.26 -2.66 121.76 128.21 1ni7 s ALA 59 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1ni7 s ALA 59 Cb -0.04 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1ni7 s ALA 59 CO -0.00 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.59 1ni7 n GLY 60 N 5.15 0.00 1.73 0.00 0.00 -1.26 -5.04 105.19 105.77 1ni7 n GLY 60 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.96 0.00 -4.09 0.00 1.02 -1.26 -4.54 120.64 108.81 1ni7 n GLU 62 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1ni7 n GLU 62 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.45 1ni7 n GLU 62 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ni7 s ASN 63 N 0.00 0.46 0.54 1.62 0.01 -1.26 -4.98 114.94 111.33 1ni7 s ASN 63 Ca 0.00 -1.29 -0.18 0.00 -0.71 0.00 0.00 52.86 50.68 1ni7 s ASN 63 Cb 0.00 0.57 -0.14 0.00 0.41 0.00 0.00 41.25 42.10 1ni7 s ASN 63 CO 0.00 -1.14 -0.03 0.54 -1.51 0.00 0.00 177.10 174.97 1ni7 n ARG 64 N -0.44 0.10 -3.80 -0.60 1.74 -1.26 -4.76 116.66 107.63 1ni7 n ARG 64 Ca 0.01 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 1ni7 n ARG 64 Cb 0.63 -1.15 -0.12 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.95 -0.00 -0.31 1.55 1.01 -1.09 -3.67 120.40 115.93 1ni7 s VAL 65 Ca 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1ni7 s VAL 65 Cb -0.47 -0.27 0.11 0.00 0.00 0.00 0.00 36.38 35.74 1ni7 s VAL 65 CO 0.65 0.01 0.13 0.26 0.00 0.00 0.00 175.10 176.15 1ni7 s TRP 66 N 0.22 0.91 -0.10 5.22 0.51 -1.17 -1.64 118.94 122.90 1ni7 s TRP 66 Ca -0.01 -1.33 -0.10 0.00 -2.12 0.00 0.00 56.10 52.54 1ni7 s TRP 66 Cb -0.02 -1.22 -0.05 0.00 -0.81 0.00 0.00 33.47 31.37 1ni7 s TRP 66 CO -0.01 -0.84 0.23 -1.17 -0.51 0.00 0.00 176.95 174.65 1ni7 s LEU 67 N 1.73 4.39 -0.08 2.99 1.98 -0.54 -2.53 118.68 126.61 1ni7 s LEU 67 Ca 0.11 0.59 -0.09 0.00 -2.89 0.00 0.00 54.13 51.85 1ni7 s LEU 67 Cb -0.18 -2.24 0.02 0.00 0.66 0.00 0.00 46.19 44.46 1ni7 s LEU 67 CO -0.27 0.34 0.25 -0.83 -1.89 0.00 0.00 176.35 173.95 1ni7 s GLY 68 N -0.79 -0.17 0.21 7.98 0.00 0.58 0.25 107.32 115.38 1ni7 s GLY 68 Ca 0.17 0.61 -0.22 0.00 0.00 0.00 0.00 44.72 45.28 1ni7 s GLY 68 CO 0.06 0.50 0.65 -2.52 0.00 0.00 0.00 173.10 171.79 1ni7 s TYR 69 N -0.11 -0.39 -0.08 1.90 -0.85 -1.26 0.18 117.35 116.74 1ni7 s TYR 69 Ca -0.02 0.08 -0.09 0.00 -0.52 0.00 0.00 57.07 56.52 1ni7 s TYR 69 Cb -0.03 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.96 1ni7 s TYR 69 CO 0.01 -1.01 0.25 0.95 -1.52 0.00 0.00 175.55 174.23 1ni7 s THR 70 N -3.82 0.01 0.05 -3.49 -4.23 -1.18 -4.98 115.64 98.00 1ni7 s THR 70 Ca 0.05 -0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.28 1ni7 s THR 70 Cb -0.03 -0.39 -0.06 0.00 1.34 0.00 0.00 72.50 73.36 1ni7 s THR 70 CO -0.05 -0.05 0.57 -0.69 -0.54 0.00 0.00 174.62 173.86 1ni7 s VAL 71 N -0.10 4.80 0.52 2.29 1.01 -1.26 -2.84 120.40 124.82 1ni7 s VAL 71 Ca -0.02 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1ni7 s VAL 71 Cb -0.03 -3.90 0.10 0.00 0.00 0.00 0.00 36.38 32.55 1ni7 s VAL 71 CO 0.01 0.51 0.71 0.00 0.00 0.00 0.00 175.10 176.33 1ni7 n ALA 72 N 2.04 0.37 0.02 5.51 0.00 -1.19 -4.95 120.51 122.31 1ni7 n ALA 72 Ca -0.09 -1.51 -0.13 0.00 0.00 0.00 0.00 53.44 51.71 1ni7 n ALA 72 Cb 0.51 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.01 0.00 0.00 4.81 -1.98 -2.65 114.58 114.75 1ni7 h GLU 73 Ca -0.24 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 1ni7 h GLU 73 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1ni7 h GLU 73 CO 0.27 0.23 -0.27 -2.95 -0.73 0.00 0.00 179.01 175.57 1ni7 h ASN 74 N -0.26 0.00 0.00 1.04 7.08 -2.04 -3.46 115.58 117.94 1ni7 h ASN 74 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ni7 h ASN 74 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 1ni7 h ASN 74 CO 0.00 0.27 0.00 0.61 -2.08 0.00 0.00 177.43 176.23 1ni7 n GLY 75 N -0.23 1.47 3.40 9.14 0.00 -1.00 -5.05 105.19 112.92 1ni7 n GLY 75 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.04 0.41 -2.40 1.61 5.02 -1.26 -4.07 118.16 117.43 1ni7 n LYS 76 Ca 0.00 0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 1ni7 n LYS 76 Cb 0.00 -1.97 0.02 0.00 -0.02 0.00 0.00 35.03 33.07 1ni7 n LYS 76 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ni7 s MET 77 N 7.10 3.13 -0.25 1.97 1.75 -0.90 -3.14 119.30 128.96 1ni7 s MET 77 Ca 1.19 0.12 -0.04 0.00 -1.25 0.00 0.00 55.69 55.72 1ni7 s MET 77 Cb -1.12 -2.28 0.10 0.00 2.84 0.00 0.00 34.83 34.37 1ni7 s MET 77 CO 0.53 -0.57 0.17 -1.01 -0.65 0.00 0.00 175.02 173.49 1ni7 s HIS 78 N -2.95 0.02 0.44 4.11 3.76 -1.13 -3.61 115.29 115.92 1ni7 s HIS 78 Ca 0.52 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.93 1ni7 s HIS 78 Cb -0.11 -0.66 -0.06 0.00 1.11 0.00 0.00 32.58 32.86 1ni7 s HIS 78 CO 0.46 -0.73 0.81 -0.06 -0.85 0.00 0.00 174.74 174.37 1ni7 s PHE 79 N 2.21 3.48 0.07 1.40 0.40 -1.26 -3.12 117.98 121.15 1ni7 s PHE 79 Ca 0.07 1.10 -0.27 0.00 -0.60 0.00 0.00 56.93 57.23 1ni7 s PHE 79 Cb -0.16 -2.50 0.09 0.00 0.51 0.00 0.00 43.02 40.96 1ni7 s PHE 79 CO -0.25 -0.18 0.90 -0.59 0.70 0.00 0.00 175.22 175.80 1ni7 s PHE 80 N -2.47 -0.27 -4.40 0.36 -0.12 0.48 -4.91 117.98 106.66 1ni7 s PHE 80 Ca 0.52 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 1ni7 s PHE 80 Cb -0.10 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 1ni7 s PHE 80 CO 0.33 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 175.24 1ni7 n GLY 81 N -0.34 -0.51 1.45 1.99 0.00 -1.25 0.22 105.19 106.74 1ni7 n GLY 81 Ca -0.08 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 0.04 -0.77 -3.53 1.61 5.75 -1.05 -4.99 116.55 113.61 1ni7 n ASP 82 Ca 0.00 -1.47 -0.07 0.00 -0.01 0.00 0.00 54.79 53.24 1ni7 n ASP 82 Cb 0.00 1.26 -0.02 0.00 -1.03 0.00 0.00 41.12 41.33 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ni7 s SER 83 N -1.86 -0.29 0.06 -1.12 0.15 -1.26 -3.06 113.70 106.31 1ni7 s SER 83 Ca 0.07 0.00 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 1ni7 s SER 83 Cb -0.01 0.31 -0.30 0.00 -1.71 0.00 0.00 66.02 64.31 1ni7 s SER 83 CO 0.03 -0.50 1.09 -0.33 1.20 0.00 0.00 173.24 174.74 1ni7 h GLU 84 N 2.01 0.49 -6.45 5.44 5.08 -1.86 -3.42 114.58 115.86 1ni7 h GLU 84 Ca -0.18 -0.75 -0.53 0.00 -1.00 0.00 0.00 59.36 56.90 1ni7 h GLU 84 Cb 1.22 0.26 0.03 0.00 0.50 0.00 0.00 28.75 30.76 1ni7 h GLU 84 CO 0.28 1.34 1.15 0.41 -1.00 0.00 0.00 179.01 181.20 1ni7 n GLY 85 N 1.50 1.74 0.46 -3.84 0.00 -1.26 -4.88 105.19 98.91 1ni7 n GLY 85 Ca -0.13 0.76 -0.16 0.00 0.00 0.00 0.00 46.02 46.49 1ni7 n GLY 85 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ni7 h ARG 86 N 9.27 -0.67 0.02 1.61 -0.00 -1.94 1.26 114.38 123.93 1ni7 h ARG 86 Ca -0.48 0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.05 1ni7 h ARG 86 Cb 1.23 0.15 0.00 0.00 0.00 0.00 0.00 29.97 31.35 1ni7 h ARG 86 CO 0.95 -0.45 -0.01 0.97 0.00 0.00 0.00 179.97 181.43 1ni7 h ILE 87 N -0.69 1.05 -0.84 2.04 6.09 -1.89 -1.65 117.51 121.61 1ni7 h ILE 87 Ca 0.01 -0.23 0.21 0.00 -1.37 0.00 0.00 64.86 63.48 1ni7 h ILE 87 Cb 0.73 1.21 -0.05 0.00 0.47 0.00 0.00 36.82 39.17 1ni7 h ILE 87 CO -0.31 0.06 0.58 0.58 -3.07 0.00 0.00 178.15 175.98 1ni7 h VAL 88 N -0.13 0.66 0.81 2.19 2.07 -1.83 0.56 116.25 120.58 1ni7 h VAL 88 Ca -0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1ni7 h VAL 88 Cb 0.12 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1ni7 h VAL 88 CO 0.00 0.04 -0.39 -0.09 0.02 0.00 0.00 177.57 177.16 1ni7 h ARG 89 N 0.24 -1.05 -0.59 1.57 2.43 0.25 -1.84 114.38 115.39 1ni7 h ARG 89 Ca 0.42 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.65 1ni7 h ARG 89 Cb 1.28 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 31.04 1ni7 h ARG 89 CO -0.10 -0.70 0.32 0.78 -1.51 0.00 0.00 179.97 178.76 1ni7 h GLY 90 N -1.28 0.86 1.18 2.80 0.00 -0.71 -1.28 103.07 104.64 1ni7 h GLY 90 Ca -0.11 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 46.90 1ni7 h GLY 90 CO 0.18 0.35 0.43 1.41 0.00 0.00 0.00 176.54 178.92 1ni7 h LEU 91 N 0.81 0.63 -1.19 3.11 3.38 0.14 0.12 115.31 122.31 1ni7 h LEU 91 Ca 0.21 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1ni7 h LEU 91 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ni7 h LEU 91 CO -0.04 0.42 -0.11 0.25 0.09 0.00 0.00 178.44 179.05 1ni7 h LEU 92 N 0.72 0.41 0.48 1.67 5.85 -0.35 -2.73 115.31 121.35 1ni7 h LEU 92 Ca 0.27 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1ni7 h LEU 92 Cb 0.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1ni7 h LEU 92 CO -0.08 0.56 -0.23 0.00 -0.34 0.00 0.00 178.44 178.35 1ni7 h ALA 93 N 1.49 -1.13 -1.09 1.25 0.00 -0.61 -1.13 119.26 118.04 1ni7 h ALA 93 Ca 0.08 -0.14 0.41 0.00 0.00 0.00 0.00 54.91 55.26 1ni7 h ALA 93 Cb 0.44 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.32 1ni7 h ALA 93 CO 0.02 -1.08 0.63 0.28 0.00 0.00 0.00 179.25 179.10 1ni7 h VAL 94 N -0.66 0.06 0.62 0.00 2.07 -1.41 0.90 116.25 117.84 1ni7 h VAL 94 Ca -0.07 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1ni7 h VAL 94 Cb 0.49 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ni7 h VAL 94 CO 0.11 0.01 -0.30 0.25 0.02 0.00 0.00 177.57 177.66 1ni7 h LEU 95 N 0.06 -0.70 -2.00 2.57 6.46 -1.14 0.26 115.31 120.83 1ni7 h LEU 95 Ca 0.83 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.79 1ni7 h LEU 95 Cb 2.28 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 42.36 1ni7 h LEU 95 CO -0.66 -0.48 0.48 -0.07 -0.62 0.00 0.00 178.44 177.09 1ni7 h LEU 96 N -0.86 0.00 -0.48 2.25 4.07 0.20 0.84 115.31 121.33 1ni7 h LEU 96 Ca -0.08 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.71 1ni7 h LEU 96 Cb 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1ni7 h LEU 96 CO 0.14 0.00 -0.76 0.74 -1.08 0.00 0.00 178.44 177.48 1ni7 h THR 97 N 0.00 1.53 -0.23 0.22 2.02 0.06 -2.73 112.91 113.78 1ni7 h THR 97 Ca 0.30 -2.57 -0.19 0.00 0.77 0.00 0.00 66.41 64.72 1ni7 h THR 97 Cb 1.27 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1ni7 h THR 97 CO -0.00 0.74 -0.61 0.00 0.37 0.00 0.00 175.52 176.01 1ni7 h ALA 98 N 1.22 0.47 -0.74 6.16 0.00 0.27 -2.88 119.26 123.76 1ni7 h ALA 98 Ca -0.01 -0.54 -0.40 0.00 0.00 0.00 0.00 54.91 53.96 1ni7 h ALA 98 Cb 1.34 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 1ni7 h ALA 98 CO 0.10 0.69 0.50 1.33 0.00 0.00 0.00 179.25 181.87 1ni7 n VAL 99 N -3.97 2.69 -1.53 0.00 0.24 -0.36 -4.90 118.33 110.50 1ni7 n VAL 99 Ca -0.05 -1.52 -0.14 0.00 -2.04 0.00 0.00 64.34 60.59 1ni7 n VAL 99 Cb 0.66 -0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 32.23 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 -0.66 0.37 -3.27 7.34 0.00 -1.03 -3.28 120.64 120.10 1ni7 n GLU 100 Ca 0.44 -0.76 -0.21 0.00 0.00 0.00 0.00 57.16 56.64 1ni7 n GLU 100 Cb 1.28 -3.10 0.02 0.00 0.00 0.00 0.00 31.44 29.63 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 6.39 -0.77 3.15 8.31 0.00 -1.26 -5.02 105.19 115.99 1ni7 n GLY 101 Ca 0.49 1.01 -0.09 0.00 0.00 0.00 0.00 46.02 47.42 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 -3.00 0.68 0.30 1.61 1.02 -1.21 -4.88 119.74 114.27 1ni7 s LYS 102 Ca 0.22 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 1ni7 s LYS 102 Cb -0.04 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.45 1ni7 s LYS 102 CO 0.83 -0.18 0.82 0.95 -0.92 0.00 0.00 175.35 176.84 1ni7 s THR 103 N -3.09 4.46 0.26 2.17 -4.23 -1.26 -2.12 115.64 111.84 1ni7 s THR 103 Ca -0.01 1.40 -0.10 0.00 -1.18 0.00 0.00 61.69 61.80 1ni7 s THR 103 Cb 0.02 -3.81 0.39 0.00 1.34 0.00 0.00 72.50 70.44 1ni7 s THR 103 CO -0.07 0.03 1.57 0.00 -0.54 0.00 0.00 174.62 175.61 1ni7 h ALA 104 N 2.88 0.55 -0.13 3.99 0.00 -1.95 0.50 119.26 125.10 1ni7 h ALA 104 Ca -0.48 0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ni7 h ALA 104 Cb 1.19 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1ni7 h ALA 104 CO 0.64 -0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.33 1ni7 h ALA 105 N 1.85 -0.36 -0.89 0.00 0.00 -1.92 0.13 119.26 118.07 1ni7 h ALA 105 Ca 0.43 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.56 1ni7 h ALA 105 Cb 0.67 0.87 -0.16 0.00 0.00 0.00 0.00 17.79 19.17 1ni7 h ALA 105 CO -0.96 -0.44 -0.07 0.93 0.00 0.00 0.00 179.25 178.72 1ni7 h GLU 106 N -0.08 0.03 -0.71 0.00 4.39 -1.33 1.25 114.58 118.13 1ni7 h GLU 106 Ca 0.02 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.85 1ni7 h GLU 106 Cb 0.14 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.69 1ni7 h GLU 106 CO -0.17 0.02 0.26 -0.07 -1.16 0.00 0.00 179.01 177.89 1ni7 h LEU 107 N 0.04 0.22 -0.64 1.33 3.38 0.34 0.51 115.31 120.49 1ni7 h LEU 107 Ca 0.49 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.50 1ni7 h LEU 107 Cb 0.88 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1ni7 h LEU 107 CO -0.85 0.09 -0.30 1.56 0.09 0.00 0.00 178.44 179.03 1ni7 h GLN 108 N 0.40 0.00 0.00 1.13 4.20 0.36 -2.71 115.11 118.50 1ni7 h GLN 108 Ca 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 1ni7 h GLN 108 Cb 0.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1ni7 h GLN 108 CO -0.39 0.30 -0.04 0.00 -0.67 0.00 0.00 178.83 178.03 1ni7 h ALA 109 N 1.70 0.99 -2.54 3.87 0.00 0.50 -3.42 119.26 120.37 1ni7 h ALA 109 Ca -0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1ni7 h ALA 109 Cb 0.99 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.47 1ni7 h ALA 109 CO 0.04 0.05 -0.47 -1.14 0.00 0.00 0.00 179.25 177.72 1ni7 s GLN 110 N -3.47 0.25 0.31 0.00 0.74 0.63 -5.05 119.66 113.07 1ni7 s GLN 110 Ca 0.03 0.77 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 1ni7 s GLN 110 Cb 0.08 -0.08 -0.11 0.00 1.10 0.00 0.00 33.01 33.99 1ni7 s GLN 110 CO 0.60 -0.37 1.59 -1.54 -0.55 0.00 0.00 175.29 175.02 1ni7 s SER 111 N 2.50 6.35 0.18 6.67 1.04 -1.24 -4.55 113.70 124.64 1ni7 s SER 111 Ca 0.03 2.99 0.24 0.00 0.48 0.00 0.00 55.95 59.68 1ni7 s SER 111 Cb -0.13 -2.64 0.91 0.00 0.10 0.00 0.00 66.02 64.26 1ni7 s SER 111 CO -0.12 -0.92 1.73 -0.81 0.98 0.00 0.00 173.24 174.11 1ni7 n PRO 112 N 1.89 0.17 0.11 4.02 -0.04 -1.26 -2.71 135.00 137.17 1ni7 n PRO 112 Ca 0.07 0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1ni7 n PRO 112 Cb 0.37 -1.75 0.27 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.22 -0.89 1.53 3.38 -1.95 -3.03 115.31 114.57 1ni7 h LEU 113 Ca 0.00 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.05 1ni7 h LEU 113 Cb 0.50 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.04 1ni7 h LEU 113 CO 0.00 0.55 -0.30 0.00 0.09 0.00 0.00 178.44 178.78 1ni7 h ALA 114 N 1.46 0.34 0.16 1.53 0.00 -1.90 0.26 119.26 121.12 1ni7 h ALA 114 Ca 0.02 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ni7 h ALA 114 Cb 0.70 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1ni7 h ALA 114 CO 0.05 -0.52 -0.45 1.25 0.00 0.00 0.00 179.25 179.58 1ni7 h LEU 115 N -0.03 -1.34 -0.76 0.00 6.46 -1.76 1.43 115.31 119.31 1ni7 h LEU 115 Ca 0.37 0.14 0.16 0.00 -0.12 0.00 0.00 57.88 58.43 1ni7 h LEU 115 Cb 0.62 0.49 -0.14 0.00 -0.73 0.00 0.00 40.66 40.90 1ni7 h LEU 115 CO -0.91 -0.50 -0.11 -0.26 -0.62 0.00 0.00 178.44 176.04 1ni7 h PHE 116 N -0.69 -0.27 -0.44 1.25 -1.00 -0.88 1.16 116.94 116.08 1ni7 h PHE 116 Ca -0.01 0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 1ni7 h PHE 116 Cb 0.67 0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.45 1ni7 h PHE 116 CO -0.40 -0.30 -0.09 0.22 -1.61 0.00 0.00 178.31 176.13 1ni7 h ASP 117 N 0.03 0.76 -0.44 2.17 1.82 0.19 1.51 116.42 122.46 1ni7 h ASP 117 Ca 0.39 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 1ni7 h ASP 117 Cb 0.64 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1ni7 h ASP 117 CO -0.75 0.89 0.12 -0.33 -1.61 0.00 0.00 179.24 177.56 1ni7 h GLU 118 N 0.71 0.70 0.00 0.28 4.39 0.81 -2.24 114.58 119.23 1ni7 h GLU 118 Ca 0.12 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1ni7 h GLU 118 Cb 0.57 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1ni7 h GLU 118 CO 0.04 0.69 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.34 1ni7 h LEU 119 N 0.57 0.00 -0.27 1.33 3.38 0.13 -3.47 115.31 116.98 1ni7 h LEU 119 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ni7 h LEU 119 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ni7 h LEU 119 CO -0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1ni7 n GLY 120 N 0.53 1.10 0.07 0.83 0.00 0.10 -5.02 105.19 102.81 1ni7 n GLY 120 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ni7 h LEU 121 N 0.00 0.00 -2.91 0.99 3.38 0.17 -3.34 115.31 113.60 1ni7 h LEU 121 Ca 0.00 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.47 1ni7 h LEU 121 Cb 0.43 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1ni7 h LEU 121 CO 0.00 0.88 0.25 -1.14 0.09 0.00 0.00 178.44 178.52 1ni7 n ARG 122 N -4.63 1.47 0.25 1.13 0.00 -1.23 -4.32 116.66 109.35 1ni7 n ARG 122 Ca -0.11 -1.05 -0.10 0.00 -0.00 0.00 0.00 57.85 56.59 1ni7 n ARG 122 Cb 0.32 -1.41 -0.05 0.00 0.00 0.00 0.00 32.46 31.32 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 1.55 -1.17 0.00 5.13 0.00 -1.85 -3.36 119.26 119.55 1ni7 h ALA 123 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ni7 h ALA 123 Cb 1.39 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1ni7 h ALA 123 CO 0.43 -1.12 -0.23 0.94 0.00 0.00 0.00 179.25 179.28 1ni7 n GLN 124 N -3.78 0.87 -1.37 0.00 -0.06 -1.26 -5.05 117.38 106.73 1ni7 n GLN 124 Ca -0.08 -2.13 -0.56 0.00 -2.00 0.00 0.00 57.00 52.22 1ni7 n GLN 124 Cb 0.26 -1.15 -0.10 0.00 -4.06 0.00 0.00 30.24 25.19 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 -0.91 1.41 -4.19 1.69 4.77 -1.26 -4.77 117.00 113.74 1ni7 n LEU 125 Ca 0.11 0.61 -0.39 0.00 -0.03 0.00 0.00 56.01 56.31 1ni7 n LEU 125 Cb 0.68 -1.06 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1ni7 n LEU 125 CO 0.00 -0.74 -0.60 -1.20 -1.33 0.00 0.00 177.39 173.53 1ni7 n SER 126 N 8.25 -3.46 -0.19 -1.43 7.64 -1.26 -3.71 113.62 119.46 1ni7 n SER 126 Ca 0.47 0.68 -0.06 0.00 1.01 0.00 0.00 58.87 60.97 1ni7 n SER 126 Cb 0.08 -0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ni7 h ALA 127 N 0.05 -0.32 -0.89 -0.43 0.00 -1.98 1.55 119.26 117.24 1ni7 h ALA 127 Ca -0.40 0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.69 1ni7 h ALA 127 Cb 1.43 1.15 -0.14 0.00 0.00 0.00 0.00 17.79 20.23 1ni7 h ALA 127 CO 0.42 -0.52 -0.44 0.77 0.00 0.00 0.00 179.25 179.48 1ni7 h SER 128 N -0.03 -1.60 -0.23 0.00 0.02 -1.99 0.50 113.55 110.23 1ni7 h SER 128 Ca 0.07 0.30 0.02 0.00 -0.84 0.00 0.00 61.79 61.34 1ni7 h SER 128 Cb 0.22 0.78 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1ni7 h SER 128 CO -0.45 -0.29 0.08 0.03 -1.14 0.00 0.00 176.83 175.06 1ni7 h ARG 129 N -0.05 0.19 -0.65 3.45 3.08 -1.00 -2.26 114.38 117.14 1ni7 h ARG 129 Ca 0.26 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.43 1ni7 h ARG 129 Cb 0.55 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1ni7 h ARG 129 CO -0.90 0.12 0.13 1.03 -1.07 0.00 0.00 179.97 179.28 1ni7 h SER 130 N 0.19 -0.03 -0.23 7.04 0.87 0.61 0.78 113.55 122.77 1ni7 h SER 130 Ca 0.10 0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.85 1ni7 h SER 130 Cb 0.06 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1ni7 h SER 130 CO -0.10 -0.02 0.37 -0.61 -0.53 0.00 0.00 176.83 175.95 1ni7 h GLN 131 N 0.24 0.00 0.26 2.24 5.75 0.38 -1.08 115.11 122.91 1ni7 h GLN 131 Ca 0.35 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.84 1ni7 h GLN 131 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1ni7 h GLN 131 CO -0.46 0.00 -0.13 0.78 -2.65 0.00 0.00 178.83 176.38 1ni7 h GLY 132 N 0.00 -0.37 0.19 2.39 0.00 0.70 0.21 103.07 106.19 1ni7 h GLY 132 Ca 0.11 0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.70 1ni7 h GLY 132 CO -0.00 -0.13 0.24 -2.00 0.00 0.00 0.00 176.54 174.65 1ni7 h LEU 133 N -0.90 0.19 -0.85 3.11 6.46 -1.07 0.32 115.31 122.58 1ni7 h LEU 133 Ca -0.04 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 1ni7 h LEU 133 Cb 0.51 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1ni7 h LEU 133 CO 0.06 0.08 0.04 0.78 -0.62 0.00 0.00 178.44 178.78 1ni7 h ASN 134 N 0.39 0.86 0.26 1.25 2.35 -1.44 0.17 115.58 119.43 1ni7 h ASN 134 Ca 0.37 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1ni7 h ASN 134 Cb 0.55 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1ni7 h ASN 134 CO -0.39 0.90 -0.21 0.00 -1.65 0.00 0.00 177.43 176.08 1ni7 h ALA 135 N 1.20 -0.47 -0.57 -0.83 0.00 0.17 0.55 119.26 119.30 1ni7 h ALA 135 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ni7 h ALA 135 Cb 0.44 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1ni7 h ALA 135 CO 0.02 -0.79 0.20 -0.07 0.00 0.00 0.00 179.25 178.61 1ni7 h LEU 136 N -0.49 0.78 0.73 0.00 3.38 -0.57 -1.29 115.31 117.84 1ni7 h LEU 136 Ca -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1ni7 h LEU 136 Cb 0.43 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ni7 h LEU 136 CO -0.02 0.72 -0.35 -1.28 0.09 0.00 0.00 178.44 177.61 1ni7 h SER 137 N 0.83 -0.83 -0.23 -0.43 0.87 0.05 -2.05 113.55 111.76 1ni7 h SER 137 Ca 0.19 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 1ni7 h SER 137 Cb 0.21 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ni7 h SER 137 CO -0.01 -0.58 0.22 1.05 -0.53 0.00 0.00 176.83 176.98 1ni7 h GLU 138 N -1.00 0.00 -0.17 2.24 4.11 0.26 -0.83 114.58 119.19 1ni7 h GLU 138 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.36 1ni7 h GLU 138 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1ni7 h GLU 138 CO 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 179.23 1ni7 h ALA 139 N 1.77 0.14 -0.41 1.06 0.00 -0.50 0.41 119.26 121.73 1ni7 h ALA 139 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ni7 h ALA 139 Cb 0.55 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ni7 h ALA 139 CO -0.00 -0.45 0.13 0.82 0.00 0.00 0.00 179.25 179.75 1ni7 h ILE 140 N 0.04 1.21 0.36 0.00 2.04 -0.97 -2.31 117.51 117.89 1ni7 h ILE 140 Ca 0.08 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1ni7 h ILE 140 Cb 0.11 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1ni7 h ILE 140 CO -0.15 0.25 -0.48 0.40 0.00 0.00 0.00 178.15 178.17 1ni7 h ILE 141 N 0.52 0.06 -1.01 -0.67 1.08 -0.96 0.85 117.51 117.38 1ni7 h ILE 141 Ca 0.13 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.91 1ni7 h ILE 141 Cb 0.25 0.06 -0.14 0.00 -3.07 0.00 0.00 36.82 33.92 1ni7 h ILE 141 CO -0.01 0.00 0.58 0.00 -0.69 0.00 0.00 178.15 178.04 1ni7 h ALA 142 N -0.63 1.92 0.01 1.87 0.00 -0.12 1.72 119.26 124.03 1ni7 h ALA 142 Ca -0.03 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ni7 h ALA 142 Cb 0.80 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ni7 h ALA 142 CO -0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 179.25 178.61 1ni7 h ALA 143 N 1.82 -0.01 -0.57 0.00 0.00 -0.53 -2.96 119.26 117.00 1ni7 h ALA 143 Ca 0.71 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.40 1ni7 h ALA 143 Cb 1.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1ni7 h ALA 143 CO -0.57 -0.27 0.36 1.79 0.00 0.00 0.00 179.25 180.56 1ni7 h THR 144 N -0.48 1.10 -1.01 0.00 1.35 0.51 -0.91 112.91 113.47 1ni7 h THR 144 Ca -0.00 -0.25 0.25 0.00 -0.55 0.00 0.00 66.41 65.86 1ni7 h THR 144 Cb 0.47 0.32 -0.09 0.00 -1.73 0.00 0.00 68.15 67.12 1ni7 h THR 144 CO 0.00 0.13 0.65 0.11 -0.25 0.00 0.00 175.52 176.17 1ni7 h LYS 145 N 0.72 0.40 -0.04 4.72 1.79 0.23 1.60 116.57 126.00 1ni7 h LYS 145 Ca 0.22 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.45 1ni7 h LYS 145 Cb -0.03 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1ni7 h LYS 145 CO -0.07 0.26 -0.88 1.96 -1.08 0.00 0.00 179.45 179.64 1ni7 h GLN 146 N 0.41 0.48 0.12 3.15 1.08 -1.03 -2.26 115.11 117.06 1ni7 h GLN 146 Ca 0.56 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ni7 h GLN 146 Cb 1.40 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1ni7 h GLN 146 CO -0.26 1.11 -0.06 0.28 -0.95 0.00 0.00 178.83 178.95 1ni7 h VAL 147 N 0.29 1.03 -0.37 -0.54 2.07 0.11 -3.26 116.25 115.57 1ni7 h VAL 147 Ca -0.07 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.36 1ni7 h VAL 147 Cb 1.50 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.88 1ni7 h VAL 147 CO 0.16 0.25 -0.22 -0.07 0.02 0.00 0.00 177.57 177.71 1ni7 h LEU 148 N -0.77 -0.75 0.00 2.57 3.38 0.19 -3.51 115.31 116.42 1ni7 h LEU 148 Ca -0.02 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ni7 h LEU 148 Cb 0.55 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ni7 h LEU 148 CO 0.03 -0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.69