#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 n THR 2 N 0.00 -0.05 -3.65 2.03 -1.04 -1.26 -5.07 114.28 105.25 1ni7 n THR 2 Ca 0.00 -4.48 -0.02 0.00 -2.04 0.00 0.00 64.05 57.51 1ni7 n THR 2 Cb 0.00 -0.98 -0.07 0.00 -1.82 0.00 0.00 70.33 67.46 1ni7 n THR 2 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ni7 s ASN 3 N -2.07 -0.13 1.10 8.00 -0.87 -1.26 -5.18 114.94 114.54 1ni7 s ASN 3 Ca 0.39 0.23 -0.18 0.00 -1.57 0.00 0.00 52.86 51.72 1ni7 s ASN 3 Cb 0.28 0.53 0.26 0.00 -0.02 0.00 0.00 41.25 42.29 1ni7 s ASN 3 CO -0.09 -0.04 1.23 -2.16 -2.57 0.00 0.00 177.10 173.47 1ni7 s PRO 4 N 0.44 -0.47 -0.10 -0.60 0.04 -1.26 -5.09 135.00 127.94 1ni7 s PRO 4 Ca 0.01 -0.32 -0.06 0.00 0.04 0.00 0.00 61.00 60.67 1ni7 s PRO 4 Cb -0.04 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.83 1ni7 s PRO 4 CO -0.13 -3.17 0.25 1.14 0.04 0.00 0.00 177.00 175.13 1ni7 s GLN 5 N -5.71 0.23 0.35 4.56 -2.07 -1.26 -5.11 119.66 110.65 1ni7 s GLN 5 Ca 0.74 0.49 0.05 0.00 -1.82 0.00 0.00 55.36 54.82 1ni7 s GLN 5 Cb -0.06 -0.05 -0.03 0.00 -1.09 0.00 0.00 33.01 31.79 1ni7 s GLN 5 CO 0.55 -0.13 0.20 -0.59 -1.32 0.00 0.00 175.29 173.99 1ni7 s PHE 6 N 0.97 1.71 -0.17 9.60 -0.12 -1.26 -5.10 117.98 123.61 1ni7 s PHE 6 Ca -0.07 -1.46 -0.17 0.00 -0.05 0.00 0.00 56.93 55.18 1ni7 s PHE 6 Cb -0.08 -0.89 -0.06 0.00 -0.63 0.00 0.00 43.02 41.36 1ni7 s PHE 6 CO -0.06 -0.59 -0.32 0.00 -0.05 0.00 0.00 175.22 174.19 1ni7 n ALA 7 N -0.71 0.82 -1.71 1.99 0.00 -1.26 -5.11 120.51 114.53 1ni7 n ALA 7 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1ni7 n ALA 7 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 8 N 1.48 -4.78 3.36 0.00 0.00 -1.26 -5.07 105.19 98.91 1ni7 n GLY 8 Ca -0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1ni7 n GLY 8 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ni7 s HIS 9 N -3.35 -0.35 -1.53 1.61 3.76 -1.26 -5.02 115.29 109.15 1ni7 s HIS 9 Ca 0.00 0.41 0.23 0.00 -0.15 0.00 0.00 55.06 55.55 1ni7 s HIS 9 Cb 0.00 0.26 1.20 0.00 1.11 0.00 0.00 32.58 35.15 1ni7 s HIS 9 CO 0.00 -0.57 1.75 -0.35 -0.85 0.00 0.00 174.74 174.72 1ni7 n PRO 10 N 0.62 0.40 -2.08 8.40 -0.04 -1.26 -4.55 135.00 136.49 1ni7 n PRO 10 Ca -0.19 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.05 1ni7 n PRO 10 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.47 1.97 0.00 0.54 0.08 -1.26 0.17 117.98 117.01 1ni7 s PHE 11 Ca 0.24 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1ni7 s PHE 11 Cb 0.15 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 1ni7 s PHE 11 CO 0.33 -1.21 0.00 0.41 -0.10 0.00 0.00 175.22 174.66 1ni7 n GLY 12 N 5.79 -1.64 0.47 4.36 0.00 -0.98 -4.43 105.19 108.76 1ni7 n GLY 12 Ca 0.45 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 47.02 1ni7 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ni7 n THR 13 N 0.00 0.82 -0.34 2.61 -1.04 -1.21 -4.12 114.28 111.01 1ni7 n THR 13 Ca 0.00 0.27 -0.03 0.00 -2.04 0.00 0.00 64.05 62.25 1ni7 n THR 13 Cb 0.00 -1.72 0.09 0.00 -1.82 0.00 0.00 70.33 66.88 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 -0.33 1.24 -2.23 12.58 2.02 -1.92 -3.22 112.91 121.05 1ni7 h THR 14 Ca 0.00 -0.47 -0.60 0.00 0.77 0.00 0.00 66.41 66.11 1ni7 h THR 14 Cb 0.33 -0.08 -0.42 0.00 -1.74 0.00 0.00 68.15 66.25 1ni7 h THR 14 CO 0.00 0.24 -0.63 0.52 0.37 0.00 0.00 175.52 176.02 1ni7 n VAL 15 N -4.42 2.10 -2.41 3.16 0.31 0.45 -4.88 118.33 112.64 1ni7 n VAL 15 Ca 0.10 -5.11 -0.24 0.00 -0.01 0.00 0.00 64.34 59.08 1ni7 n VAL 15 Cb 0.03 -2.09 0.06 0.00 -0.91 0.00 0.00 33.84 30.92 1ni7 n VAL 15 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ni7 s THR 16 N -2.32 2.43 0.50 2.52 2.01 -1.22 -2.32 115.64 117.24 1ni7 s THR 16 Ca 0.39 -0.46 0.19 0.00 0.31 0.00 0.00 61.69 62.11 1ni7 s THR 16 Cb 0.14 -2.97 0.33 0.00 0.01 0.00 0.00 72.50 70.01 1ni7 s THR 16 CO -0.03 0.00 2.05 0.00 -0.69 0.00 0.00 174.62 175.95 1ni7 h ALA 17 N -0.32 2.19 0.26 7.40 0.00 -1.85 -0.39 119.26 126.54 1ni7 h ALA 17 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ni7 h ALA 17 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ni7 h ALA 17 CO 0.55 -0.28 -0.12 1.49 0.00 0.00 0.00 179.25 180.89 1ni7 h GLU 18 N 0.12 -0.33 -0.93 0.00 4.57 -1.96 -2.60 114.58 113.45 1ni7 h GLU 18 Ca 0.17 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 58.64 1ni7 h GLU 18 Cb 0.52 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.04 1ni7 h GLU 18 CO -0.02 -0.22 0.36 1.15 -1.18 0.00 0.00 179.01 179.10 1ni7 h THR 19 N -1.08 0.31 -0.43 0.32 2.02 -1.82 1.52 112.91 113.75 1ni7 h THR 19 Ca -0.04 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1ni7 h THR 19 Cb 0.26 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1ni7 h THR 19 CO 0.06 0.05 0.02 -0.07 0.37 0.00 0.00 175.52 175.95 1ni7 h LEU 20 N 0.26 0.65 -2.27 2.58 3.38 -1.16 -0.98 115.31 117.77 1ni7 h LEU 20 Ca 0.62 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ni7 h LEU 20 Cb 1.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ni7 h LEU 20 CO -0.64 0.70 -0.02 -0.09 0.09 0.00 0.00 178.44 178.48 1ni7 h ARG 21 N 0.65 0.00 -0.32 1.13 2.43 0.25 -1.30 114.38 117.23 1ni7 h ARG 21 Ca 0.14 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 1ni7 h ARG 21 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1ni7 h ARG 21 CO 0.01 0.02 -0.26 -0.97 -1.51 0.00 0.00 179.97 177.27 1ni7 h ASN 22 N 0.00 0.64 0.17 -3.80 -0.73 -0.16 1.33 115.58 113.03 1ni7 h ASN 22 Ca -0.00 -0.23 -0.17 0.00 1.87 0.00 0.00 56.30 57.77 1ni7 h ASN 22 Cb 0.23 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1ni7 h ASN 22 CO 0.00 0.87 -0.63 0.74 -0.37 0.00 0.00 177.43 178.04 1ni7 h THR 23 N 0.55 1.35 0.00 -3.57 2.02 -1.27 -3.09 112.91 108.90 1ni7 h THR 23 Ca 0.07 -1.96 -0.05 0.00 0.77 0.00 0.00 66.41 65.24 1ni7 h THR 23 Cb 0.73 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1ni7 h THR 23 CO 0.06 0.60 -0.78 -0.26 0.37 0.00 0.00 175.52 175.50 1ni7 h PHE 24 N 0.33 0.00 -0.95 3.16 0.04 -1.26 -3.33 116.94 114.93 1ni7 h PHE 24 Ca -0.01 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.90 1ni7 h PHE 24 Cb 1.18 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.18 1ni7 h PHE 24 CO 0.04 0.21 -0.39 0.00 -0.60 0.00 0.00 178.31 177.57 1ni7 n ALA 25 N -2.22 -0.15 0.04 2.45 0.00 0.45 0.28 120.51 121.36 1ni7 n ALA 25 Ca -0.01 0.94 -0.16 0.00 0.00 0.00 0.00 53.44 54.21 1ni7 n ALA 25 Cb 0.64 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 0.59 -5.79 0.00 0.13 -1.72 -3.39 132.00 121.82 1ni7 h PRO 26 Ca 0.32 -0.57 -0.43 0.00 -0.87 0.00 0.00 66.00 64.45 1ni7 h PRO 26 Cb 0.56 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1ni7 h PRO 26 CO -0.94 1.19 1.20 -0.51 -0.23 0.00 0.00 178.00 178.70 1ni7 s LEU 27 N -8.04 3.32 0.20 1.56 1.43 0.14 -4.68 118.68 112.61 1ni7 s LEU 27 Ca -0.08 -1.32 0.16 0.00 -1.03 0.00 0.00 54.13 51.86 1ni7 s LEU 27 Cb 0.08 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1ni7 s LEU 27 CO 0.89 -2.29 1.20 0.00 0.23 0.00 0.00 176.35 176.38 1ni7 h THR 28 N 6.69 0.64 -3.31 5.49 1.03 -1.77 -3.45 112.91 118.23 1ni7 h THR 28 Ca 0.20 -2.01 -0.59 0.00 -0.01 0.00 0.00 66.41 63.99 1ni7 h THR 28 Cb 0.97 2.21 -0.08 0.00 -1.07 0.00 0.00 68.15 70.18 1ni7 h THR 28 CO 1.30 0.37 0.56 -1.10 -0.01 0.00 0.00 175.52 176.64 1ni7 s GLN 29 N -2.98 4.09 0.28 0.00 -0.21 -1.26 -4.91 119.66 114.67 1ni7 s GLN 29 Ca 0.01 0.90 0.02 0.00 0.02 0.00 0.00 55.36 56.32 1ni7 s GLN 29 Cb 0.08 -3.69 0.69 0.00 1.00 0.00 0.00 33.01 31.09 1ni7 s GLN 29 CO 0.77 -0.67 1.69 2.35 -2.12 0.00 0.00 175.29 177.31 1ni7 h TRP 30 N 7.88 0.56 -1.81 0.91 7.01 -1.96 0.89 115.95 129.44 1ni7 h TRP 30 Ca -0.22 0.04 0.53 0.00 2.11 0.00 0.00 58.89 61.35 1ni7 h TRP 30 Cb 1.08 -0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 27.95 1ni7 h TRP 30 CO 0.78 -0.08 1.29 0.93 -2.79 0.00 0.00 178.44 178.57 1ni7 h GLU 31 N 0.35 0.01 0.06 2.65 5.08 -1.97 0.61 114.58 121.37 1ni7 h GLU 31 Ca 0.54 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1ni7 h GLU 31 Cb 1.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1ni7 h GLU 31 CO -0.55 0.00 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.00 1ni7 h ASP 32 N 0.01 -0.06 -0.64 1.42 3.32 0.44 -2.31 116.42 118.58 1ni7 h ASP 32 Ca 0.88 -0.31 0.12 0.00 0.02 0.00 0.00 57.03 57.74 1ni7 h ASP 32 Cb 3.46 0.02 -0.12 0.00 0.22 0.00 0.00 39.33 42.90 1ni7 h ASP 32 CO -0.05 0.57 -0.22 0.11 -1.72 0.00 0.00 179.24 177.93 1ni7 h LYS 33 N -0.99 -0.05 -0.29 3.56 1.57 0.15 1.83 116.57 122.35 1ni7 h LYS 33 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ni7 h LYS 33 Cb 0.37 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1ni7 h LYS 33 CO 0.01 -0.04 0.08 -0.92 -0.57 0.00 0.00 179.45 178.01 1ni7 h TYR 34 N -0.06 0.40 0.21 -1.35 5.03 -0.77 0.36 116.97 120.80 1ni7 h TYR 34 Ca 0.29 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.58 1ni7 h TYR 34 Cb 0.51 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1ni7 h TYR 34 CO -0.57 0.36 -0.10 0.00 -1.32 0.00 0.00 178.16 176.52 1ni7 h ARG 35 N 0.41 -0.27 -0.59 1.82 2.47 0.11 -3.29 114.38 115.03 1ni7 h ARG 35 Ca 0.10 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.97 1ni7 h ARG 35 Cb 0.15 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1ni7 h ARG 35 CO -0.01 -0.18 0.41 -0.56 0.56 0.00 0.00 179.97 180.19 1ni7 h GLN 36 N -0.99 0.19 -0.33 0.04 -0.00 0.24 0.31 115.11 114.58 1ni7 h GLN 36 Ca -0.03 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.70 1ni7 h GLN 36 Cb 0.22 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 1ni7 h GLN 36 CO 0.05 0.12 0.43 -0.07 -0.00 0.00 0.00 178.83 179.36 1ni7 h LEU 37 N 0.19 0.00 0.03 0.06 3.38 -0.33 0.14 115.31 118.78 1ni7 h LEU 37 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ni7 h LEU 37 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ni7 h LEU 37 CO -0.05 0.00 -0.01 0.40 0.09 0.00 0.00 178.44 178.87 1ni7 h ILE 38 N 0.00 1.44 -0.49 1.22 2.04 -0.48 -3.19 117.51 118.06 1ni7 h ILE 38 Ca 0.15 -1.68 0.14 0.00 1.00 0.00 0.00 64.86 64.47 1ni7 h ILE 38 Cb 1.01 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 1ni7 h ILE 38 CO -0.00 0.42 0.40 0.00 0.00 0.00 0.00 178.15 178.97 1ni7 h MET 39 N -0.80 0.00 -0.46 2.37 -0.00 -0.80 -2.21 114.93 113.03 1ni7 h MET 39 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.75 1ni7 h MET 39 Cb 0.71 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.22 1ni7 h MET 39 CO 0.01 0.00 -0.55 1.25 -0.00 0.00 0.00 176.91 177.61 1ni7 h LEU 40 N 0.00 -1.86 -0.30 -0.10 7.12 -1.29 0.23 115.31 119.10 1ni7 h LEU 40 Ca 0.23 0.25 0.06 0.00 0.13 0.00 0.00 57.88 58.55 1ni7 h LEU 40 Cb 1.04 0.77 -0.08 0.00 -0.53 0.00 0.00 40.66 41.86 1ni7 h LEU 40 CO -0.00 -0.38 -0.41 1.23 -0.13 0.00 0.00 178.44 178.74 1ni7 h GLY 41 N -0.35 -0.58 -0.00 3.75 0.00 -1.52 0.59 103.07 104.96 1ni7 h GLY 41 Ca 0.08 0.52 0.27 0.00 0.00 0.00 0.00 47.33 48.20 1ni7 h GLY 41 CO -0.62 -0.20 0.69 0.50 0.00 0.00 0.00 176.54 176.91 1ni7 h LYS 42 N -0.38 0.19 -0.05 4.80 1.57 -1.30 0.24 116.57 121.65 1ni7 h LYS 42 Ca 0.12 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1ni7 h LYS 42 Cb 0.59 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ni7 h LYS 42 CO -0.50 0.13 -0.32 1.96 -0.57 0.00 0.00 179.45 180.14 1ni7 h GLN 43 N 0.20 0.30 -6.70 3.15 4.20 0.32 -3.45 115.11 113.12 1ni7 h GLN 43 Ca 0.52 -0.26 -0.58 0.00 0.06 0.00 0.00 58.65 58.39 1ni7 h GLN 43 Cb 1.66 0.06 0.16 0.00 0.30 0.00 0.00 27.48 29.66 1ni7 h GLN 43 CO -0.13 0.92 -0.05 1.28 -0.67 0.00 0.00 178.83 180.19 1ni7 n LEU 44 N -4.43 2.61 -4.79 1.46 4.32 0.12 -4.93 117.00 111.35 1ni7 n LEU 44 Ca -0.09 0.80 -0.35 0.00 -0.02 0.00 0.00 56.01 56.36 1ni7 n LEU 44 Cb 0.51 -1.31 -0.04 0.00 -1.62 0.00 0.00 43.42 40.96 1ni7 n LEU 44 CO 0.41 -2.23 0.72 -2.16 -1.22 0.00 0.00 177.39 172.91 1ni7 s PRO 45 N -2.46 3.90 -0.39 3.23 0.04 -1.26 -4.94 135.00 133.11 1ni7 s PRO 45 Ca 0.72 1.40 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 1ni7 s PRO 45 Cb -0.44 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1ni7 s PRO 45 CO 0.50 -0.36 1.73 0.00 0.04 0.00 0.00 177.00 178.92 1ni7 s ALA 46 N -1.90 2.79 0.22 8.56 0.00 -1.26 -4.95 121.76 125.23 1ni7 s ALA 46 Ca 0.65 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1ni7 s ALA 46 Cb -0.18 -4.05 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 1ni7 s ALA 46 CO 0.22 -2.78 1.42 -1.17 0.00 0.00 0.00 175.76 173.45 1ni7 s LEU 47 N 6.94 4.39 0.56 0.00 2.96 -1.26 -4.98 118.68 127.29 1ni7 s LEU 47 Ca 0.74 2.58 -0.17 0.00 -0.22 0.00 0.00 54.13 57.07 1ni7 s LEU 47 Cb -0.19 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 1ni7 s LEU 47 CO 0.31 -0.67 1.05 -2.16 -1.32 0.00 0.00 176.35 173.56 1ni7 s PRO 48 N -0.09 3.50 0.38 0.98 0.04 -1.26 -4.93 135.00 133.62 1ni7 s PRO 48 Ca 0.60 1.22 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1ni7 s PRO 48 Cb -0.41 -2.06 0.76 0.00 0.04 0.00 0.00 34.50 32.83 1ni7 s PRO 48 CO 0.40 -0.67 1.89 -0.44 0.04 0.00 0.00 177.00 178.22 1ni7 h ASP 49 N 0.76 0.18 -0.53 6.66 3.32 -1.98 -1.10 116.42 123.72 1ni7 h ASP 49 Ca -0.47 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.54 1ni7 h ASP 49 Cb 1.22 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1ni7 h ASP 49 CO 0.58 0.39 0.35 -0.08 -1.72 0.00 0.00 179.24 178.76 1ni7 h GLU 50 N 0.17 0.68 -0.07 3.56 4.57 -2.01 -1.87 114.58 119.61 1ni7 h GLU 50 Ca 0.03 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1ni7 h GLU 50 Cb 0.46 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1ni7 h GLU 50 CO 0.03 0.45 -0.62 -0.07 -1.18 0.00 0.00 179.01 177.62 1ni7 h LEU 51 N 0.70 0.29 -1.40 1.64 -0.00 -1.84 -2.87 115.31 111.83 1ni7 h LEU 51 Ca 0.20 -0.17 0.17 0.00 -0.00 0.00 0.00 57.88 58.08 1ni7 h LEU 51 Cb -0.07 -0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 40.44 1ni7 h LEU 51 CO -0.05 0.83 0.57 0.11 -0.00 0.00 0.00 178.44 179.91 1ni7 h LYS 52 N 0.18 0.52 0.00 1.13 1.57 -0.41 1.11 116.57 120.68 1ni7 h LYS 52 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1ni7 h LYS 52 Cb 1.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1ni7 h LYS 52 CO 0.10 0.35 -0.22 0.00 -0.57 0.00 0.00 179.45 179.10 1ni7 h ALA 53 N 1.61 0.93 0.00 3.86 0.00 -1.22 -2.80 119.26 121.65 1ni7 h ALA 53 Ca 0.45 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ni7 h ALA 53 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ni7 h ALA 53 CO -0.19 0.28 -0.44 1.96 0.00 0.00 0.00 179.25 180.86 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 1.08 0.12 -3.45 115.11 112.87 1ni7 h GLN 54 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ni7 h GLN 54 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1ni7 h GLN 54 CO 0.03 0.44 0.00 0.00 -0.95 0.00 0.00 178.83 178.34 1ni7 n ALA 55 N -2.26 0.00 -2.38 3.87 0.00 -0.39 -4.78 120.51 114.57 1ni7 n ALA 55 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1ni7 n ALA 55 Cb 0.61 0.00 -0.14 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 -2.37 1.63 -0.17 0.00 1.02 0.49 -4.84 119.74 115.50 1ni7 s LYS 56 Ca 0.00 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.55 1ni7 s LYS 56 Cb 0.00 -1.88 -0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1ni7 s LYS 56 CO 0.00 0.47 0.99 -1.21 -0.92 0.00 0.00 175.35 174.68 1ni7 s GLU 57 N -1.46 4.32 0.67 1.68 2.02 -1.26 -1.26 118.70 123.42 1ni7 s GLU 57 Ca 0.12 1.30 -0.00 0.00 0.02 0.00 0.00 54.97 56.41 1ni7 s GLU 57 Cb -0.10 -3.59 0.10 0.00 0.10 0.00 0.00 34.13 30.64 1ni7 s GLU 57 CO 0.03 -0.46 0.93 0.42 0.02 0.00 0.00 175.26 176.20 1ni7 s ILE 58 N 2.57 2.28 -0.41 -1.63 -1.09 0.78 -4.97 121.20 118.72 1ni7 s ILE 58 Ca 0.44 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 1ni7 s ILE 58 Cb -0.17 -2.66 0.27 0.00 -1.58 0.00 0.00 42.46 38.32 1ni7 s ILE 58 CO 0.12 0.00 1.09 0.00 -1.23 0.00 0.00 174.94 174.92 1ni7 n ALA 59 N -2.69 -2.24 -1.87 9.38 0.00 -1.26 -4.00 120.51 117.83 1ni7 n ALA 59 Ca 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 53.44 52.59 1ni7 n ALA 59 Cb 0.60 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 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 1.31 0.30 2.97 0.00 0.00 -1.26 -5.11 105.19 103.40 1ni7 n GLY 60 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 h GLU 62 N 0.00 0.00 0.00 0.00 -0.00 -2.02 -3.43 114.58 109.13 1ni7 h GLU 62 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1ni7 h GLU 62 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 1ni7 h GLU 62 CO 0.40 0.00 0.00 0.09 -0.00 0.00 0.00 179.01 179.50 1ni7 n ASN 63 N -3.53 0.00 -4.70 3.06 3.02 -1.26 -5.07 115.26 106.79 1ni7 n ASN 63 Ca 0.13 -0.82 -0.35 0.00 -0.03 0.00 0.00 54.58 53.51 1ni7 n ASN 63 Cb 0.92 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 40.20 1ni7 n ASN 63 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1ni7 n ARG 64 N 0.00 0.55 -3.92 3.52 1.85 -1.26 -4.61 116.66 112.78 1ni7 n ARG 64 Ca 0.00 0.26 -0.09 0.00 -1.00 0.00 0.00 57.85 57.01 1ni7 n ARG 64 Cb 0.00 -2.45 -0.07 0.00 -1.05 0.00 0.00 32.46 28.89 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ni7 s VAL 65 N -1.82 0.08 0.00 8.89 1.01 -1.26 -3.52 120.40 123.78 1ni7 s VAL 65 Ca 0.77 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ni7 s VAL 65 Cb -0.33 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1ni7 s VAL 65 CO 0.47 -0.35 -0.06 0.26 0.00 0.00 0.00 175.10 175.42 1ni7 s TRP 66 N -3.94 0.52 -0.08 5.22 0.51 -1.25 -0.16 118.94 119.77 1ni7 s TRP 66 Ca 0.14 -0.14 -0.05 0.00 -2.12 0.00 0.00 56.10 53.93 1ni7 s TRP 66 Cb 0.03 -0.33 0.03 0.00 -0.81 0.00 0.00 33.47 32.40 1ni7 s TRP 66 CO -0.02 -0.02 0.19 -1.17 -0.51 0.00 0.00 176.95 175.42 1ni7 s LEU 67 N -0.30 0.85 -0.02 2.99 2.96 -0.39 -2.00 118.68 122.77 1ni7 s LEU 67 Ca 0.01 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1ni7 s LEU 67 Cb -0.03 0.59 0.01 0.00 0.50 0.00 0.00 46.19 47.25 1ni7 s LEU 67 CO -0.00 -0.12 0.06 -0.83 -1.32 0.00 0.00 176.35 174.14 1ni7 s GLY 68 N 0.78 -0.04 0.19 7.98 0.00 0.15 0.18 107.32 116.56 1ni7 s GLY 68 Ca -0.06 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.65 1ni7 s GLY 68 CO -0.04 0.12 0.47 -2.52 0.00 0.00 0.00 173.10 171.12 1ni7 s TYR 69 N -0.06 -0.01 -0.14 1.90 -0.85 -1.26 0.12 117.35 117.06 1ni7 s TYR 69 Ca -0.01 -0.34 -0.12 0.00 -0.52 0.00 0.00 57.07 56.08 1ni7 s TYR 69 Cb -0.01 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.66 1ni7 s TYR 69 CO 0.00 -0.87 0.37 0.95 -1.52 0.00 0.00 175.55 174.48 1ni7 s THR 70 N -3.89 -0.01 0.15 -3.49 -4.23 -1.25 -4.98 115.64 97.94 1ni7 s THR 70 Ca 0.11 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1ni7 s THR 70 Cb -0.00 -0.53 -0.07 0.00 1.34 0.00 0.00 72.50 73.24 1ni7 s THR 70 CO -0.02 0.01 0.52 -0.69 -0.54 0.00 0.00 174.62 173.90 1ni7 s VAL 71 N 0.45 4.92 0.62 2.29 1.01 -1.26 -3.32 120.40 125.11 1ni7 s VAL 71 Ca -0.02 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1ni7 s VAL 71 Cb -0.04 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1ni7 s VAL 71 CO -0.02 0.19 0.86 0.00 0.00 0.00 0.00 175.10 176.13 1ni7 s ALA 72 N -1.52 3.84 -0.95 5.51 0.00 0.36 -4.92 121.76 124.08 1ni7 s ALA 72 Ca 0.39 -1.48 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1ni7 s ALA 72 Cb -0.14 -2.05 0.39 0.00 0.00 0.00 0.00 23.12 21.32 1ni7 s ALA 72 CO 0.19 -1.02 1.28 -0.85 0.00 0.00 0.00 175.76 175.37 1ni7 n GLU 73 N -2.53 0.01 -0.10 0.00 0.28 -1.26 -1.43 120.64 115.62 1ni7 n GLU 73 Ca 0.11 0.38 -0.12 0.00 -0.16 0.00 0.00 57.16 57.37 1ni7 n GLU 73 Cb 0.60 -1.53 -0.15 0.00 1.43 0.00 0.00 31.44 31.79 1ni7 n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ni7 n ASN 74 N -1.56 0.49 0.00 -1.84 3.02 -1.26 -5.00 115.26 109.10 1ni7 n ASN 74 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ni7 n ASN 74 Cb 0.09 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 1ni7 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ni7 n GLY 75 N 1.86 1.23 3.14 7.41 0.00 -0.51 -5.12 105.19 113.20 1ni7 n GLY 75 Ca -0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.26 -3.68 1.61 5.02 -1.26 -4.23 118.16 115.35 1ni7 n LYS 76 Ca 0.00 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 1ni7 n LYS 76 Cb 0.00 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.58 0.97 -0.24 1.97 -1.94 -0.85 -0.49 119.30 116.14 1ni7 s MET 77 Ca 0.45 -0.61 -0.03 0.00 -1.71 0.00 0.00 55.69 53.79 1ni7 s MET 77 Cb -0.12 0.42 0.10 0.00 2.01 0.00 0.00 34.83 37.24 1ni7 s MET 77 CO 0.74 -0.35 0.20 -1.01 -0.01 0.00 0.00 175.02 174.58 1ni7 s HIS 78 N -3.26 -0.12 0.47 -0.03 3.76 -1.21 -3.47 115.29 111.43 1ni7 s HIS 78 Ca -0.00 -0.19 -0.14 0.00 -0.15 0.00 0.00 55.06 54.58 1ni7 s HIS 78 Cb 0.01 -0.55 -0.07 0.00 1.11 0.00 0.00 32.58 33.08 1ni7 s HIS 78 CO -0.08 -0.71 0.91 -0.06 -0.85 0.00 0.00 174.74 173.95 1ni7 s PHE 79 N 2.26 3.46 -0.30 1.40 0.40 -1.26 -3.77 117.98 120.16 1ni7 s PHE 79 Ca 0.07 1.32 -0.10 0.00 -0.60 0.00 0.00 56.93 57.62 1ni7 s PHE 79 Cb -0.15 -2.67 0.13 0.00 0.51 0.00 0.00 43.02 40.84 1ni7 s PHE 79 CO -0.22 -0.27 0.68 -0.59 0.70 0.00 0.00 175.22 175.53 1ni7 s PHE 80 N -2.53 -1.29 0.01 0.36 -0.12 0.33 -4.91 117.98 109.84 1ni7 s PHE 80 Ca 0.56 2.21 0.00 0.00 -0.05 0.00 0.00 56.93 59.65 1ni7 s PHE 80 Cb -0.10 0.76 -0.00 0.00 -0.63 0.00 0.00 43.02 43.05 1ni7 s PHE 80 CO 0.31 -0.64 0.01 0.41 -0.05 0.00 0.00 175.22 175.26 1ni7 n GLY 81 N 5.40 4.00 3.15 1.99 0.00 -1.25 0.30 105.19 118.77 1ni7 n GLY 81 Ca -0.11 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.28 1ni7 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ni7 s ASP 82 N -1.08 -0.47 0.77 1.61 -4.77 -0.85 -4.97 116.67 106.92 1ni7 s ASP 82 Ca 0.01 0.22 -0.09 0.00 -3.30 0.00 0.00 52.55 49.39 1ni7 s ASP 82 Cb 0.00 1.36 0.09 0.00 -1.09 0.00 0.00 42.92 43.28 1ni7 s ASP 82 CO 0.01 -0.09 1.10 -0.55 0.70 0.00 0.00 175.17 176.34 1ni7 s SER 83 N 2.95 4.50 0.00 2.11 0.15 -1.26 -3.75 113.70 118.40 1ni7 s SER 83 Ca 0.06 0.50 -0.10 0.00 0.70 0.00 0.00 55.95 57.12 1ni7 s SER 83 Cb -0.08 -1.02 -0.32 0.00 -1.71 0.00 0.00 66.02 62.89 1ni7 s SER 83 CO -0.14 -1.84 0.87 -0.08 1.20 0.00 0.00 173.24 173.25 1ni7 h GLU 84 N -0.86 0.40 -7.33 5.44 4.22 -1.91 -3.44 114.58 111.10 1ni7 h GLU 84 Ca -0.45 -0.69 -0.51 0.00 0.08 0.00 0.00 59.36 57.80 1ni7 h GLU 84 Cb 1.31 0.26 0.12 0.00 0.50 0.00 0.00 28.75 30.94 1ni7 h GLU 84 CO 0.59 1.31 0.33 0.20 -2.18 0.00 0.00 179.01 179.25 1ni7 s GLY 85 N -4.86 1.66 -0.02 1.92 0.00 -1.26 -4.98 107.32 99.78 1ni7 s GLY 85 Ca -0.11 0.12 0.08 0.00 0.00 0.00 0.00 44.72 44.81 1ni7 s GLY 85 CO 0.89 0.48 0.76 3.21 0.00 0.00 0.00 173.10 178.44 1ni7 h ARG 86 N -1.05 0.06 -0.00 2.90 -0.00 -1.90 -2.91 114.38 111.48 1ni7 h ARG 86 Ca -0.45 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.98 58.94 1ni7 h ARG 86 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.24 1ni7 h ARG 86 CO 0.54 0.72 -0.01 0.97 0.00 0.00 0.00 179.97 182.20 1ni7 h ILE 87 N 0.02 1.56 0.16 2.04 -0.00 -1.81 -3.10 117.51 116.38 1ni7 h ILE 87 Ca -0.25 -1.64 0.00 0.00 -0.00 0.00 0.00 64.86 62.97 1ni7 h ILE 87 Cb 1.98 2.67 -0.01 0.00 -0.00 0.00 0.00 36.82 41.46 1ni7 h ILE 87 CO 0.10 0.43 -0.13 0.58 -0.00 0.00 0.00 178.15 179.12 1ni7 h VAL 88 N -0.69 0.71 -1.22 2.19 2.07 -1.88 -1.41 116.25 116.02 1ni7 h VAL 88 Ca -0.00 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.91 1ni7 h VAL 88 Cb 0.70 0.71 -0.13 0.00 -1.52 0.00 0.00 31.29 31.06 1ni7 h VAL 88 CO 0.00 0.00 0.78 0.03 0.02 0.00 0.00 177.57 178.40 1ni7 h ARG 89 N -0.30 0.16 -0.03 1.57 3.08 -1.60 0.52 114.38 117.77 1ni7 h ARG 89 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1ni7 h ARG 89 Cb 0.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ni7 h ARG 89 CO -0.02 0.10 -0.05 0.78 -1.07 0.00 0.00 179.97 179.72 1ni7 h GLY 90 N 0.16 0.09 -0.13 0.04 0.00 -1.20 -2.83 103.07 99.20 1ni7 h GLY 90 Ca 0.77 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 48.07 1ni7 h GLY 90 CO -0.43 0.10 -0.28 1.41 0.00 0.00 0.00 176.54 177.34 1ni7 h LEU 91 N -0.44 -0.94 -0.66 3.11 3.38 0.71 0.18 115.31 120.65 1ni7 h LEU 91 Ca 0.00 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1ni7 h LEU 91 Cb 0.62 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1ni7 h LEU 91 CO 0.01 -0.29 0.18 -0.07 0.09 0.00 0.00 178.44 178.36 1ni7 h LEU 92 N -0.21 0.07 0.00 1.67 3.38 -1.26 -1.46 115.31 117.50 1ni7 h LEU 92 Ca 0.19 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ni7 h LEU 92 Cb 0.51 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ni7 h LEU 92 CO -0.53 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.02 1ni7 n ALA 93 N -2.59 -0.14 -0.32 1.53 0.00 0.60 0.21 120.51 119.79 1ni7 n ALA 93 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.72 1ni7 n ALA 93 Cb 0.37 0.35 0.35 0.00 0.00 0.00 0.00 19.45 20.51 1ni7 n ALA 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ni7 h VAL 94 N 0.00 0.14 0.64 0.00 2.07 -0.96 0.51 116.25 118.64 1ni7 h VAL 94 Ca 0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1ni7 h VAL 94 Cb 0.00 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1ni7 h VAL 94 CO 0.00 0.02 -0.31 0.25 0.02 0.00 0.00 177.57 177.55 1ni7 h LEU 95 N 0.09 -0.73 -1.97 2.57 6.46 0.22 -0.22 115.31 121.74 1ni7 h LEU 95 Ca 0.63 0.01 0.28 0.00 -0.12 0.00 0.00 57.88 58.68 1ni7 h LEU 95 Cb 1.38 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.46 1ni7 h LEU 95 CO -0.79 -0.49 0.69 -0.07 -0.62 0.00 0.00 178.44 177.17 1ni7 h LEU 96 N -0.90 0.03 -0.43 2.25 3.38 0.70 1.53 115.31 121.87 1ni7 h LEU 96 Ca -0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1ni7 h LEU 96 Cb 0.67 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ni7 h LEU 96 CO 0.14 0.01 -0.65 0.74 0.09 0.00 0.00 178.44 178.77 1ni7 h THR 97 N 0.02 1.27 -0.00 0.22 2.02 0.49 -3.04 112.91 113.90 1ni7 h THR 97 Ca 0.46 -2.38 -0.16 0.00 0.77 0.00 0.00 66.41 65.11 1ni7 h THR 97 Cb 1.82 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 70.57 1ni7 h THR 97 CO -0.02 0.63 -0.73 0.00 0.37 0.00 0.00 175.52 175.77 1ni7 h ALA 98 N 1.35 0.78 -0.61 6.16 0.00 0.38 -2.90 119.26 124.42 1ni7 h ALA 98 Ca -0.01 -0.66 -0.33 0.00 0.00 0.00 0.00 54.91 53.91 1ni7 h ALA 98 Cb 1.30 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.79 1ni7 h ALA 98 CO 0.08 0.90 0.43 1.33 0.00 0.00 0.00 179.25 181.99 1ni7 n VAL 99 N -3.68 2.46 -1.53 0.00 0.24 -0.27 -4.84 118.33 110.70 1ni7 n VAL 99 Ca -0.01 -1.30 -0.41 0.00 -2.04 0.00 0.00 64.34 60.58 1ni7 n VAL 99 Cb 0.71 -0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 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 -0.43 1.06 -3.86 7.34 0.00 -1.10 -2.20 120.64 121.46 1ni7 n GLU 100 Ca 0.37 0.14 -0.28 0.00 0.00 0.00 0.00 57.16 57.39 1ni7 n GLU 100 Cb 1.13 -2.96 -0.05 0.00 0.00 0.00 0.00 31.44 29.56 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 6.14 -0.43 3.91 8.31 0.00 -1.23 -4.88 105.19 117.01 1ni7 n GLY 101 Ca 0.41 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.49 3.55 0.12 1.61 1.02 -0.93 -4.39 119.74 114.24 1ni7 s LYS 102 Ca 0.56 0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.66 1ni7 s LYS 102 Cb -0.32 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1ni7 s LYS 102 CO 0.68 -0.10 0.25 0.95 -0.92 0.00 0.00 175.35 176.21 1ni7 s THR 103 N -2.59 5.29 0.19 2.17 -4.23 -1.26 -2.02 115.64 113.19 1ni7 s THR 103 Ca 0.46 -0.62 -0.22 0.00 -1.18 0.00 0.00 61.69 60.13 1ni7 s THR 103 Cb -0.10 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.17 1ni7 s THR 103 CO 0.41 -0.02 1.58 0.00 -0.54 0.00 0.00 174.62 176.05 1ni7 h ALA 104 N 2.45 -0.10 -0.08 3.99 0.00 -1.92 0.11 119.26 123.71 1ni7 h ALA 104 Ca -0.47 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ni7 h ALA 104 Cb 1.18 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 19.77 1ni7 h ALA 104 CO 0.70 -0.71 -0.34 0.00 0.00 0.00 0.00 179.25 178.90 1ni7 h ALA 105 N 0.93 -0.46 -0.83 0.00 0.00 -1.94 -1.10 119.26 115.85 1ni7 h ALA 105 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.30 1ni7 h ALA 105 Cb 0.56 0.63 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1ni7 h ALA 105 CO -0.71 -0.84 -0.21 0.93 0.00 0.00 0.00 179.25 178.41 1ni7 h GLU 106 N -0.45 -0.00 -0.46 0.00 4.39 -1.26 0.66 114.58 117.46 1ni7 h GLU 106 Ca 0.08 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.87 1ni7 h GLU 106 Cb 0.57 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 1ni7 h GLU 106 CO -0.33 -0.00 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.43 1ni7 h LEU 107 N -0.00 -0.23 -1.54 1.33 3.38 0.20 0.27 115.31 118.71 1ni7 h LEU 107 Ca 0.40 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.49 1ni7 h LEU 107 Cb 0.61 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ni7 h LEU 107 CO -0.86 -0.08 0.31 1.56 0.09 0.00 0.00 178.44 179.47 1ni7 h GLN 108 N 0.09 0.61 0.00 1.13 4.20 0.92 0.19 115.11 122.25 1ni7 h GLN 108 Ca 0.23 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1ni7 h GLN 108 Cb 0.34 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ni7 h GLN 108 CO -0.40 0.40 -0.05 0.00 -0.67 0.00 0.00 178.83 178.11 1ni7 h ALA 109 N 1.71 1.00 -1.51 3.87 0.00 0.22 -3.42 119.26 121.13 1ni7 h ALA 109 Ca 0.17 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1ni7 h ALA 109 Cb -0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.51 1ni7 h ALA 109 CO -0.04 0.07 -0.02 -1.14 0.00 0.00 0.00 179.25 178.12 1ni7 s GLN 110 N -3.59 0.47 0.45 0.00 0.74 0.62 -5.08 119.66 113.28 1ni7 s GLN 110 Ca 0.02 1.14 -0.23 0.00 0.05 0.00 0.00 55.36 56.33 1ni7 s GLN 110 Cb 0.09 0.68 -0.07 0.00 1.10 0.00 0.00 33.01 34.80 1ni7 s GLN 110 CO 0.58 -0.21 1.20 -1.12 -0.55 0.00 0.00 175.29 175.20 1ni7 s SER 111 N 2.75 6.13 0.00 6.67 0.01 -1.00 -4.17 113.70 124.10 1ni7 s SER 111 Ca -0.02 2.40 0.22 0.00 1.31 0.00 0.00 55.95 59.86 1ni7 s SER 111 Cb -0.10 -2.61 1.30 0.00 0.21 0.00 0.00 66.02 64.81 1ni7 s SER 111 CO -0.18 -0.95 1.70 -0.81 0.41 0.00 0.00 173.24 173.40 1ni7 n PRO 112 N -0.40 0.75 0.25 12.44 -0.04 -1.26 -2.71 135.00 144.03 1ni7 n PRO 112 Ca 0.07 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1ni7 n PRO 112 Cb 0.47 -1.45 0.56 0.00 -0.04 0.00 0.00 33.50 33.04 1ni7 n PRO 112 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ni7 h LEU 113 N 0.00 0.00 -0.21 1.53 3.38 -1.95 -3.00 115.31 115.06 1ni7 h LEU 113 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ni7 h LEU 113 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ni7 h LEU 113 CO 0.00 0.07 0.10 0.00 0.09 0.00 0.00 178.44 178.70 1ni7 h ALA 114 N 1.93 0.25 -0.98 1.53 0.00 -1.91 -2.27 119.26 117.80 1ni7 h ALA 114 Ca -0.00 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1ni7 h ALA 114 Cb 0.64 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.22 1ni7 h ALA 114 CO 0.01 -0.32 -0.27 -0.11 0.00 0.00 0.00 179.25 178.56 1ni7 n LEU 115 N -5.00 -0.40 0.37 0.00 -0.00 -1.13 0.21 117.00 111.04 1ni7 n LEU 115 Ca -0.03 1.70 -0.16 0.00 -0.00 0.00 0.00 56.01 57.52 1ni7 n LEU 115 Cb 0.06 -0.49 -0.08 0.00 -0.00 0.00 0.00 43.42 42.91 1ni7 n LEU 115 CO 0.31 -1.61 0.53 -0.26 -0.00 0.00 0.00 177.39 176.36 1ni7 h PHE 116 N 0.00 -1.02 -0.76 1.96 -1.00 -1.58 -0.40 116.94 114.14 1ni7 h PHE 116 Ca 0.45 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.41 1ni7 h PHE 116 Cb 0.70 0.35 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 1ni7 h PHE 116 CO -0.78 -0.59 0.53 0.22 -1.61 0.00 0.00 178.31 176.09 1ni7 h ASP 117 N -0.99 0.16 0.09 2.17 1.82 -0.58 1.23 116.42 120.33 1ni7 h ASP 117 Ca -0.09 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1ni7 h ASP 117 Cb 0.78 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1ni7 h ASP 117 CO 0.11 0.07 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.45 1ni7 h GLU 118 N 0.17 -0.11 0.00 0.28 4.39 0.32 -2.72 114.58 116.90 1ni7 h GLU 118 Ca 0.37 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.98 1ni7 h GLU 118 Cb 1.23 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1ni7 h GLU 118 CO -0.06 0.04 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.28 1ni7 h LEU 119 N -0.24 0.00 0.00 1.33 3.38 0.73 -3.47 115.31 117.04 1ni7 h LEU 119 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ni7 h LEU 119 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ni7 h LEU 119 CO 0.02 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1ni7 n GLY 120 N 0.67 1.60 0.10 0.83 0.00 0.37 -5.02 105.19 103.74 1ni7 n GLY 120 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 0.08 0.00 0.99 3.38 -0.29 -3.26 115.31 116.21 1ni7 h LEU 121 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1ni7 h LEU 121 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ni7 h LEU 121 CO 0.00 1.38 -0.19 -0.09 0.09 0.00 0.00 178.44 179.63 1ni7 h ARG 122 N -0.84 0.00 -0.03 1.13 1.12 -1.86 -3.08 114.38 110.81 1ni7 h ARG 122 Ca -0.24 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.62 1ni7 h ARG 122 Cb 1.32 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.28 1ni7 h ARG 122 CO -0.09 0.00 -0.00 0.00 -3.11 0.00 0.00 179.97 176.77 1ni7 h ALA 123 N 2.16 0.04 0.00 2.80 0.00 -1.79 -2.52 119.26 119.95 1ni7 h ALA 123 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ni7 h ALA 123 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ni7 h ALA 123 CO 0.00 -0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.00 1ni7 n GLN 124 N -4.90 0.13 0.00 0.00 3.00 -1.23 -4.77 117.38 109.61 1ni7 n GLN 124 Ca -0.07 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1ni7 n GLN 124 Cb 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.72 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ni7 n LEU 125 N -1.94 0.00 -3.61 1.08 4.77 -0.95 -5.09 117.00 111.27 1ni7 n LEU 125 Ca 0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1ni7 n LEU 125 Cb 0.29 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1ni7 n LEU 125 CO 0.22 -0.82 0.56 -0.55 -1.33 0.00 0.00 177.39 175.47 1ni7 s SER 126 N -1.66 -0.37 0.26 -1.43 0.15 -1.26 -5.02 113.70 104.37 1ni7 s SER 126 Ca 0.00 -0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 1ni7 s SER 126 Cb 0.00 0.55 0.36 0.00 -1.71 0.00 0.00 66.02 65.22 1ni7 s SER 126 CO 0.00 -0.95 1.56 0.00 1.20 0.00 0.00 173.24 175.05 1ni7 h ALA 127 N 2.00 0.45 -0.30 5.45 0.00 -1.96 1.54 119.26 126.42 1ni7 h ALA 127 Ca -0.26 0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ni7 h ALA 127 Cb 1.26 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ni7 h ALA 127 CO 0.30 -0.48 0.00 0.45 0.00 0.00 0.00 179.25 179.52 1ni7 n SER 128 N -5.56 0.00 -0.27 0.00 2.88 -1.26 0.38 113.62 109.79 1ni7 n SER 128 Ca 0.13 0.95 -0.06 0.00 -1.33 0.00 0.00 58.87 58.56 1ni7 n SER 128 Cb 0.45 -0.45 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 1.12 -0.74 -1.46 2.47 -1.55 -2.91 114.38 111.31 1ni7 h ARG 129 Ca 0.00 -0.19 0.13 0.00 -1.26 0.00 0.00 59.98 58.65 1ni7 h ARG 129 Cb 0.00 -0.19 -0.13 0.00 -1.65 0.00 0.00 29.97 28.00 1ni7 h ARG 129 CO 0.00 0.90 -0.33 1.03 0.56 0.00 0.00 179.97 182.13 1ni7 h SER 130 N 1.08 -1.18 -1.07 7.04 0.87 0.37 1.55 113.55 122.22 1ni7 h SER 130 Ca 0.25 0.25 0.31 0.00 -1.23 0.00 0.00 61.79 61.38 1ni7 h SER 130 Cb 0.19 0.62 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 1ni7 h SER 130 CO -0.02 -0.29 0.99 0.06 -0.53 0.00 0.00 176.83 177.03 1ni7 h GLN 131 N -0.09 0.00 0.00 2.24 -0.00 0.14 0.42 115.11 117.82 1ni7 h GLN 131 Ca 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.89 1ni7 h GLN 131 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.04 1ni7 h GLN 131 CO -0.79 0.00 -0.26 0.78 -0.00 0.00 0.00 178.83 178.55 1ni7 h GLY 132 N 0.00 0.00 1.08 0.06 0.00 0.21 -3.02 103.07 101.40 1ni7 h GLY 132 Ca 0.51 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.94 1ni7 h GLY 132 CO -0.01 0.00 0.36 1.41 0.00 0.00 0.00 176.54 178.31 1ni7 h LEU 133 N -1.00 0.00 0.03 3.11 -0.00 0.54 0.31 115.31 118.30 1ni7 h LEU 133 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1ni7 h LEU 133 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1ni7 h LEU 133 CO -0.04 0.00 -0.01 0.78 -0.00 0.00 0.00 178.44 179.16 1ni7 h ASN 134 N 0.00 -0.03 -0.64 -0.43 4.21 -0.99 -2.16 115.58 115.54 1ni7 h ASN 134 Ca 0.17 -0.62 0.13 0.00 1.21 0.00 0.00 56.30 57.18 1ni7 h ASN 134 Cb 0.89 0.01 -0.12 0.00 -1.12 0.00 0.00 38.32 37.98 1ni7 h ASN 134 CO -0.00 0.63 -0.18 0.00 -1.29 0.00 0.00 177.43 176.58 1ni7 h ALA 135 N 0.21 0.37 0.11 -0.83 0.00 -0.82 1.25 119.26 119.56 1ni7 h ALA 135 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ni7 h ALA 135 Cb 0.65 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ni7 h ALA 135 CO 0.01 -0.45 -0.11 -0.07 0.00 0.00 0.00 179.25 178.62 1ni7 h LEU 136 N -0.02 -0.30 -0.33 0.00 3.38 -1.44 -2.56 115.31 114.03 1ni7 h LEU 136 Ca 0.30 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.36 1ni7 h LEU 136 Cb 0.49 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1ni7 h LEU 136 CO -0.67 -0.17 0.01 -1.28 0.09 0.00 0.00 178.44 176.41 1ni7 h SER 137 N -0.25 -0.12 -1.18 -0.43 0.87 -0.17 -0.33 113.55 111.94 1ni7 h SER 137 Ca 0.01 0.07 0.38 0.00 -1.23 0.00 0.00 61.79 61.02 1ni7 h SER 137 Cb 0.24 0.13 -0.13 0.00 -0.44 0.00 0.00 62.40 62.20 1ni7 h SER 137 CO -0.03 -0.02 0.74 -0.33 -0.53 0.00 0.00 176.83 176.65 1ni7 h GLU 138 N 0.10 0.18 -0.88 2.24 4.39 0.18 1.46 114.58 122.26 1ni7 h GLU 138 Ca 0.16 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.97 1ni7 h GLU 138 Cb 0.21 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 1ni7 h GLU 138 CO -0.26 0.12 0.50 0.00 -1.16 0.00 0.00 179.01 178.21 1ni7 h ALA 139 N 1.68 1.30 -0.07 3.43 0.00 -0.78 0.35 119.26 125.16 1ni7 h ALA 139 Ca 0.76 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.65 1ni7 h ALA 139 Cb 2.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1ni7 h ALA 139 CO -0.45 0.06 -0.25 0.82 0.00 0.00 0.00 179.25 179.43 1ni7 h ILE 140 N 0.78 1.42 -0.52 0.00 2.04 0.19 -2.50 117.51 118.92 1ni7 h ILE 140 Ca 0.45 -1.63 0.10 0.00 1.00 0.00 0.00 64.86 64.78 1ni7 h ILE 140 Cb 0.50 2.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 1ni7 h ILE 140 CO -0.29 0.46 -0.05 0.40 0.00 0.00 0.00 178.15 178.67 1ni7 h ILE 141 N -0.20 0.54 -0.62 -0.67 1.08 -0.12 0.58 117.51 118.10 1ni7 h ILE 141 Ca -0.01 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.47 1ni7 h ILE 141 Cb 0.88 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1ni7 h ILE 141 CO 0.05 0.01 0.37 0.00 -0.69 0.00 0.00 178.15 177.89 1ni7 h ALA 142 N 1.49 0.81 0.93 1.87 0.00 -0.37 0.55 119.26 124.55 1ni7 h ALA 142 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ni7 h ALA 142 Cb 0.41 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ni7 h ALA 142 CO -0.48 0.09 -0.48 0.00 0.00 0.00 0.00 179.25 178.38 1ni7 h ALA 143 N 1.29 -1.31 -0.63 0.00 0.00 -0.28 -2.74 119.26 115.59 1ni7 h ALA 143 Ca 0.26 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ni7 h ALA 143 Cb 0.07 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1ni7 h ALA 143 CO -0.13 -1.24 0.20 1.79 0.00 0.00 0.00 179.25 179.87 1ni7 h THR 144 N -1.30 0.69 -1.30 0.00 1.35 0.29 0.26 112.91 112.91 1ni7 h THR 144 Ca -0.13 -0.12 0.38 0.00 -0.55 0.00 0.00 66.41 65.99 1ni7 h THR 144 Cb 1.01 0.32 -0.09 0.00 -1.73 0.00 0.00 68.15 67.66 1ni7 h THR 144 CO 0.19 0.06 0.88 0.11 -0.25 0.00 0.00 175.52 176.52 1ni7 h LYS 145 N 0.35 0.13 0.18 4.72 1.79 0.33 1.49 116.57 125.56 1ni7 h LYS 145 Ca 0.33 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1ni7 h LYS 145 Cb 0.46 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1ni7 h LYS 145 CO -0.36 0.08 -0.09 0.37 -1.08 0.00 0.00 179.45 178.37 1ni7 h GLN 146 N 0.13 -0.24 -0.59 3.15 -0.00 -0.20 -2.38 115.11 114.98 1ni7 h GLN 146 Ca 0.70 0.02 0.11 0.00 -0.00 0.00 0.00 58.65 59.48 1ni7 h GLN 146 Cb 2.36 0.05 -0.09 0.00 0.00 0.00 0.00 27.48 29.81 1ni7 h GLN 146 CO -0.20 -0.16 0.11 0.28 0.00 0.00 0.00 178.83 178.86 1ni7 h VAL 147 N -0.81 0.63 0.08 2.39 2.07 -0.65 -1.59 116.25 118.36 1ni7 h VAL 147 Ca -0.03 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1ni7 h VAL 147 Cb 0.19 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1ni7 h VAL 147 CO 0.04 0.04 -0.45 -0.07 0.02 0.00 0.00 177.57 177.15 1ni7 h LEU 148 N 0.24 -1.35 0.00 2.57 3.38 0.19 -3.51 115.31 116.82 1ni7 h LEU 148 Ca 0.31 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ni7 h LEU 148 Cb 0.46 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1ni7 h LEU 148 CO -0.41 -0.50 0.00 1.21 0.09 0.00 0.00 178.44 178.83