#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 1.73 -0.09 2.03 -1.32 -1.26 -5.15 115.64 111.59 1ni7 s THR 2 Ca 0.00 -2.08 -0.01 0.00 -1.21 0.00 0.00 61.69 58.40 1ni7 s THR 2 Cb 0.00 -1.93 -0.03 0.00 -1.51 0.00 0.00 72.50 69.03 1ni7 s THR 2 CO 0.00 -0.49 -0.04 0.20 -2.21 0.00 0.00 174.62 172.08 1ni7 s ASN 3 N -3.03 4.83 1.10 8.08 0.01 -1.26 -5.12 114.94 119.55 1ni7 s ASN 3 Ca 0.19 0.00 -0.18 0.00 -0.71 0.00 0.00 52.86 52.16 1ni7 s ASN 3 Cb -0.03 -1.38 0.25 0.00 0.41 0.00 0.00 41.25 40.51 1ni7 s ASN 3 CO 0.06 0.33 1.23 -2.16 -1.51 0.00 0.00 177.10 175.05 1ni7 s PRO 4 N -0.59 -0.42 -0.08 -0.60 0.04 -1.26 -5.09 135.00 127.00 1ni7 s PRO 4 Ca 0.09 -0.31 -0.03 0.00 0.04 0.00 0.00 61.00 60.79 1ni7 s PRO 4 Cb -0.12 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.76 1ni7 s PRO 4 CO 0.02 -3.14 0.15 -1.14 0.04 0.00 0.00 177.00 172.93 1ni7 s GLN 5 N -5.70 0.04 0.50 4.56 0.74 -1.26 -5.16 119.66 113.38 1ni7 s GLN 5 Ca 0.73 0.51 0.08 0.00 0.05 0.00 0.00 55.36 56.73 1ni7 s GLN 5 Cb -0.06 -0.26 0.04 0.00 1.10 0.00 0.00 33.01 33.83 1ni7 s GLN 5 CO 0.55 -0.28 0.57 -0.06 -0.55 0.00 0.00 175.29 175.52 1ni7 s PHE 6 N 2.03 2.05 0.01 1.67 0.08 -1.26 -5.01 117.98 117.55 1ni7 s PHE 6 Ca 0.00 -0.62 -0.17 0.00 0.12 0.00 0.00 56.93 56.26 1ni7 s PHE 6 Cb -0.12 -2.18 -0.06 0.00 -0.57 0.00 0.00 43.02 40.09 1ni7 s PHE 6 CO -0.06 -0.63 0.48 0.00 -0.10 0.00 0.00 175.22 174.91 1ni7 s ALA 7 N -2.57 3.63 -0.37 5.36 0.00 -1.26 -5.05 121.76 121.49 1ni7 s ALA 7 Ca 0.52 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1ni7 s ALA 7 Cb -0.05 -2.52 0.11 0.00 0.00 0.00 0.00 23.12 20.66 1ni7 s ALA 7 CO 0.32 0.38 0.11 0.20 0.00 0.00 0.00 175.76 176.77 1ni7 s GLY 8 N -0.83 1.98 -0.36 0.00 0.00 -1.26 -5.07 107.32 101.78 1ni7 s GLY 8 Ca 0.26 -2.58 -0.19 0.00 0.00 0.00 0.00 44.72 42.21 1ni7 s GLY 8 CO 0.15 0.97 0.58 -2.38 0.00 0.00 0.00 173.10 172.42 1ni7 s HIS 9 N 0.92 3.16 -0.47 1.90 -3.43 -1.26 -4.91 115.29 111.20 1ni7 s HIS 9 Ca 0.10 0.23 0.26 0.00 -0.80 0.00 0.00 55.06 54.85 1ni7 s HIS 9 Cb -0.20 -3.05 0.89 0.00 -1.43 0.00 0.00 32.58 28.78 1ni7 s HIS 9 CO -0.06 -0.61 1.76 -1.00 -2.00 0.00 0.00 174.74 172.83 1ni7 h PRO 10 N 8.50 0.00 -5.59 -0.38 0.13 -1.98 -3.41 132.00 129.27 1ni7 h PRO 10 Ca -0.27 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.51 1ni7 h PRO 10 Cb 1.12 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1ni7 h PRO 10 CO 0.81 0.00 1.04 -0.06 -0.23 0.00 0.00 178.00 179.57 1ni7 s PHE 11 N -3.28 1.97 0.00 1.56 0.08 -1.26 0.14 117.98 117.19 1ni7 s PHE 11 Ca 0.06 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.47 1ni7 s PHE 11 Cb 0.10 -4.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.47 1ni7 s PHE 11 CO 0.53 -1.43 0.00 0.41 -0.10 0.00 0.00 175.22 174.63 1ni7 n GLY 12 N 6.15 0.26 0.06 4.36 0.00 0.11 -3.50 105.19 112.63 1ni7 n GLY 12 Ca 0.43 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 2.61 -1.04 -1.16 -4.66 114.28 110.04 1ni7 n THR 13 Ca 0.00 0.44 -0.13 0.00 -2.04 0.00 0.00 64.05 62.33 1ni7 n THR 13 Cb 0.00 -1.44 -0.09 0.00 -1.82 0.00 0.00 70.33 66.98 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 1.24 -3.14 12.58 2.02 -1.87 -3.38 112.91 120.35 1ni7 h THR 14 Ca 0.00 -0.71 -0.73 0.00 0.77 0.00 0.00 66.41 65.74 1ni7 h THR 14 Cb 0.00 1.71 -0.22 0.00 -1.74 0.00 0.00 68.15 67.90 1ni7 h THR 14 CO 0.00 0.19 -0.15 -0.69 0.37 0.00 0.00 175.52 175.23 1ni7 s VAL 15 N -5.00 5.10 0.52 3.16 1.01 0.37 -4.88 120.40 120.67 1ni7 s VAL 15 Ca -0.15 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.75 1ni7 s VAL 15 Cb 0.03 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1ni7 s VAL 15 CO 0.67 -0.82 0.21 0.42 0.00 0.00 0.00 175.10 175.58 1ni7 s THR 16 N 1.96 1.50 0.34 3.92 -4.23 -1.26 0.06 115.64 117.94 1ni7 s THR 16 Ca 0.07 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 1ni7 s THR 16 Cb -0.26 -2.24 0.16 0.00 1.34 0.00 0.00 72.50 71.50 1ni7 s THR 16 CO 0.06 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.01 1ni7 h ALA 17 N 1.08 1.37 0.37 3.99 0.00 -1.92 -0.46 119.26 123.68 1ni7 h ALA 17 Ca -0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1ni7 h ALA 17 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ni7 h ALA 17 CO 0.66 0.44 -0.18 1.49 0.00 0.00 0.00 179.25 181.66 1ni7 h GLU 18 N 0.49 -0.47 -0.86 0.00 4.81 -1.96 -1.28 114.58 115.31 1ni7 h GLU 18 Ca 0.10 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.58 1ni7 h GLU 18 Cb 0.34 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 29.70 1ni7 h GLU 18 CO 0.01 -0.32 0.31 1.15 -0.73 0.00 0.00 179.01 179.44 1ni7 h THR 19 N -0.98 0.44 -0.47 0.32 2.02 -1.89 0.87 112.91 113.23 1ni7 h THR 19 Ca -0.05 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1ni7 h THR 19 Cb 0.38 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1ni7 h THR 19 CO 0.08 0.06 0.01 -0.07 0.37 0.00 0.00 175.52 175.97 1ni7 h LEU 20 N 0.32 0.74 -1.29 2.58 3.38 -1.14 -2.03 115.31 117.87 1ni7 h LEU 20 Ca 0.53 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1ni7 h LEU 20 Cb 1.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ni7 h LEU 20 CO -0.56 0.80 -0.17 -0.09 0.09 0.00 0.00 178.44 178.51 1ni7 h ARG 21 N 0.72 0.27 0.00 1.13 2.43 0.19 -1.22 114.38 117.90 1ni7 h ARG 21 Ca 0.14 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1ni7 h ARG 21 Cb 0.43 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ni7 h ARG 21 CO 0.02 0.44 -0.14 -0.97 -1.51 0.00 0.00 179.97 177.81 1ni7 h ASN 22 N 0.25 0.00 0.64 -3.80 -0.73 -0.03 1.50 115.58 113.41 1ni7 h ASN 22 Ca 0.05 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.95 1ni7 h ASN 22 Cb 0.46 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 1ni7 h ASN 22 CO 0.03 0.14 -1.39 0.74 -0.37 0.00 0.00 177.43 176.58 1ni7 h THR 23 N 0.00 1.28 0.00 -3.57 2.02 -1.13 -3.31 112.91 108.20 1ni7 h THR 23 Ca -0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.19 1ni7 h THR 23 Cb 0.29 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1ni7 h THR 23 CO 0.02 0.80 -0.65 -0.26 0.37 0.00 0.00 175.52 175.81 1ni7 h PHE 24 N 0.03 0.00 -0.94 3.16 0.04 -0.46 -3.34 116.94 115.43 1ni7 h PHE 24 Ca -0.17 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.74 1ni7 h PHE 24 Cb 1.94 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.94 1ni7 h PHE 24 CO 0.03 0.00 -0.38 0.00 -0.60 0.00 0.00 178.31 177.37 1ni7 n ALA 25 N -2.13 -0.14 0.04 2.45 0.00 0.51 0.39 120.51 121.63 1ni7 n ALA 25 Ca 0.02 0.93 -0.15 0.00 0.00 0.00 0.00 53.44 54.23 1ni7 n ALA 25 Cb 0.54 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 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 0.56 -5.88 0.00 0.13 -1.79 -3.40 132.00 121.62 1ni7 h PRO 26 Ca 0.32 -0.54 -0.40 0.00 -0.87 0.00 0.00 66.00 64.50 1ni7 h PRO 26 Cb 0.55 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.77 1ni7 h PRO 26 CO -0.93 1.17 1.02 -0.51 -0.23 0.00 0.00 178.00 178.52 1ni7 s LEU 27 N -8.00 3.24 0.09 1.56 1.43 0.16 -4.69 118.68 112.48 1ni7 s LEU 27 Ca -0.08 -0.49 0.22 0.00 -1.03 0.00 0.00 54.13 52.75 1ni7 s LEU 27 Cb 0.09 -2.55 -0.16 0.00 0.03 0.00 0.00 46.19 43.59 1ni7 s LEU 27 CO 0.88 -2.43 0.77 1.07 0.23 0.00 0.00 176.35 176.88 1ni7 n THR 28 N 7.47 0.40 -3.16 5.49 5.66 -1.26 -4.78 114.28 124.10 1ni7 n THR 28 Ca 0.31 -0.54 -0.39 0.00 -3.05 0.00 0.00 64.05 60.38 1ni7 n THR 28 Cb 0.49 -0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 69.00 1ni7 n THR 28 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1ni7 s GLN 29 N -3.39 4.39 0.19 1.09 -0.21 -1.26 -4.96 119.66 115.50 1ni7 s GLN 29 Ca -0.04 0.73 -0.12 0.00 0.02 0.00 0.00 55.36 55.95 1ni7 s GLN 29 Cb 0.11 -3.42 0.20 0.00 1.00 0.00 0.00 33.01 30.90 1ni7 s GLN 29 CO 0.84 0.16 1.76 2.35 -2.12 0.00 0.00 175.29 178.28 1ni7 h TRP 30 N 6.51 0.39 -0.99 0.91 7.01 -1.92 -0.20 115.95 127.65 1ni7 h TRP 30 Ca -0.42 0.03 0.40 0.00 2.11 0.00 0.00 58.89 61.01 1ni7 h TRP 30 Cb 1.19 -0.09 -0.16 0.00 -2.10 0.00 0.00 29.16 28.00 1ni7 h TRP 30 CO 0.64 0.14 0.56 0.39 -2.79 0.00 0.00 178.44 177.38 1ni7 n GLU 31 N -4.97 -0.05 -0.00 2.65 1.02 -1.26 0.12 120.64 118.14 1ni7 n GLU 31 Ca 0.06 1.26 -0.12 0.00 -0.02 0.00 0.00 57.16 58.34 1ni7 n GLU 31 Cb 0.20 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.24 1ni7 n GLU 31 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ni7 h ASP 32 N 0.00 -0.07 -0.26 1.62 3.32 -1.44 -2.28 116.42 117.30 1ni7 h ASP 32 Ca 0.79 -0.55 0.06 0.00 0.02 0.00 0.00 57.03 57.35 1ni7 h ASP 32 Cb 2.19 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 41.68 1ni7 h ASP 32 CO -0.66 0.59 -0.40 0.11 -1.72 0.00 0.00 179.24 177.16 1ni7 h LYS 33 N -0.82 -0.38 -0.16 3.56 1.57 0.12 0.85 116.57 121.31 1ni7 h LYS 33 Ca -0.01 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1ni7 h LYS 33 Cb 0.62 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1ni7 h LYS 33 CO 0.01 -0.25 0.14 -0.92 -0.57 0.00 0.00 179.45 177.86 1ni7 h TYR 34 N -0.39 0.00 0.24 -1.35 5.03 -0.08 0.12 116.97 120.54 1ni7 h TYR 34 Ca 0.11 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1ni7 h TYR 34 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1ni7 h TYR 34 CO -0.54 0.00 -0.11 -0.09 -1.32 0.00 0.00 178.16 176.10 1ni7 h ARG 35 N 0.00 -0.31 -0.35 1.82 2.43 0.50 -3.20 114.38 115.28 1ni7 h ARG 35 Ca 0.08 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1ni7 h ARG 35 Cb 0.35 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1ni7 h ARG 35 CO -0.00 -0.20 0.34 0.37 -1.51 0.00 0.00 179.97 178.96 1ni7 h GLN 36 N -0.95 0.00 -0.50 0.20 4.15 0.70 0.36 115.11 119.08 1ni7 h GLN 36 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1ni7 h GLN 36 Cb 0.24 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1ni7 h GLN 36 CO 0.05 0.00 0.22 -0.07 -1.93 0.00 0.00 178.83 177.10 1ni7 h LEU 37 N 0.00 0.63 -1.14 -2.39 3.38 -0.80 -0.87 115.31 114.12 1ni7 h LEU 37 Ca 0.17 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1ni7 h LEU 37 Cb 0.84 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ni7 h LEU 37 CO -0.00 0.55 0.13 0.40 0.09 0.00 0.00 178.44 179.61 1ni7 h ILE 38 N 0.70 1.21 -0.32 1.22 1.08 -0.27 -2.62 117.51 118.52 1ni7 h ILE 38 Ca 0.17 -0.73 -0.07 0.00 -0.39 0.00 0.00 64.86 63.84 1ni7 h ILE 38 Cb 0.11 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1ni7 h ILE 38 CO -0.02 0.27 -0.09 0.24 -0.69 0.00 0.00 178.15 177.86 1ni7 h MET 39 N 0.71 0.62 -0.85 2.37 2.86 -1.16 -2.95 114.93 116.53 1ni7 h MET 39 Ca 0.16 -0.24 0.17 0.00 -2.06 0.00 0.00 59.70 57.73 1ni7 h MET 39 Cb 0.25 -0.03 -0.16 0.00 0.06 0.00 0.00 31.60 31.72 1ni7 h MET 39 CO -0.00 0.81 -0.21 -0.07 1.06 0.00 0.00 176.91 178.50 1ni7 h LEU 40 N 0.39 -0.78 0.95 1.22 -0.00 -0.94 0.84 115.31 116.99 1ni7 h LEU 40 Ca 0.08 0.25 -0.05 0.00 -0.00 0.00 0.00 57.88 58.17 1ni7 h LEU 40 Cb 0.58 0.52 0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1ni7 h LEU 40 CO 0.03 -0.28 -0.48 1.23 -0.00 0.00 0.00 178.44 178.95 1ni7 h GLY 41 N 0.00 -1.38 -0.99 0.83 0.00 -1.49 -2.63 103.07 97.41 1ni7 h GLY 41 Ca 0.41 0.52 0.19 0.00 0.00 0.00 0.00 47.33 48.45 1ni7 h GLY 41 CO -0.87 -0.49 -0.27 0.50 0.00 0.00 0.00 176.54 175.41 1ni7 h LYS 42 N -1.30 -0.00 -0.63 4.80 1.57 -0.94 1.21 116.57 121.27 1ni7 h LYS 42 Ca -0.13 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1ni7 h LYS 42 Cb 1.01 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.22 1ni7 h LYS 42 CO 0.20 -0.00 0.05 1.96 -0.57 0.00 0.00 179.45 181.09 1ni7 h GLN 43 N -0.00 0.16 -6.61 3.15 4.20 -0.68 -3.41 115.11 111.92 1ni7 h GLN 43 Ca 0.46 -0.01 -0.58 0.00 0.06 0.00 0.00 58.65 58.58 1ni7 h GLN 43 Cb 0.71 -0.04 0.09 0.00 0.30 0.00 0.00 27.48 28.55 1ni7 h GLN 43 CO -1.02 0.11 0.51 -0.11 -0.67 0.00 0.00 178.83 177.65 1ni7 n LEU 44 N -5.23 3.02 -4.81 1.46 7.94 0.41 -4.94 117.00 114.85 1ni7 n LEU 44 Ca 0.10 1.17 -0.32 0.00 -1.11 0.00 0.00 56.01 55.84 1ni7 n LEU 44 Cb 0.36 -1.42 0.03 0.00 0.53 0.00 0.00 43.42 42.92 1ni7 n LEU 44 CO 0.12 -0.63 0.71 -2.16 -1.11 0.00 0.00 177.39 174.33 1ni7 s PRO 45 N -0.98 3.18 -0.45 1.96 0.04 -1.26 -4.94 135.00 132.55 1ni7 s PRO 45 Ca 0.63 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 1ni7 s PRO 45 Cb -0.64 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1ni7 s PRO 45 CO 0.55 -0.91 1.72 0.00 0.04 0.00 0.00 177.00 178.39 1ni7 s ALA 46 N -2.74 2.68 -0.34 8.56 0.00 -1.26 -4.89 121.76 123.77 1ni7 s ALA 46 Ca 0.61 -0.17 -0.32 0.00 0.00 0.00 0.00 51.96 52.08 1ni7 s ALA 46 Cb -0.15 -4.10 -0.09 0.00 0.00 0.00 0.00 23.12 18.78 1ni7 s ALA 46 CO 0.45 -3.01 2.24 -0.11 0.00 0.00 0.00 175.76 175.34 1ni7 n LEU 47 N 10.74 2.50 -4.77 0.00 7.94 -1.26 -4.92 117.00 127.22 1ni7 n LEU 47 Ca 0.20 0.23 -0.30 0.00 -1.11 0.00 0.00 56.01 55.04 1ni7 n LEU 47 Cb 0.49 -1.39 0.19 0.00 0.53 0.00 0.00 43.42 43.24 1ni7 n LEU 47 CO 0.70 -0.80 0.74 -2.16 -1.11 0.00 0.00 177.39 174.76 1ni7 s PRO 48 N 6.58 0.06 0.48 1.96 0.04 -1.26 -4.77 135.00 138.10 1ni7 s PRO 48 Ca 1.06 -0.12 0.23 0.00 0.04 0.00 0.00 61.00 62.21 1ni7 s PRO 48 Cb -0.61 -1.75 1.24 0.00 0.04 0.00 0.00 34.50 33.42 1ni7 s PRO 48 CO 0.42 -2.85 2.01 0.22 0.04 0.00 0.00 177.00 176.84 1ni7 h ASP 49 N -1.96 0.00 0.12 6.66 1.82 -1.97 0.13 116.42 121.23 1ni7 h ASP 49 Ca -0.46 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1ni7 h ASP 49 Cb 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1ni7 h ASP 49 CO 0.42 0.17 -0.06 -0.08 -1.61 0.00 0.00 179.24 178.09 1ni7 h GLU 50 N 0.00 -0.16 -0.02 0.28 4.57 -1.98 0.34 114.58 117.61 1ni7 h GLU 50 Ca -0.00 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.02 1ni7 h GLU 50 Cb 0.41 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1ni7 h GLU 50 CO 0.02 0.00 -0.74 -0.07 -1.18 0.00 0.00 179.01 177.04 1ni7 h LEU 51 N -0.29 0.21 -1.22 1.64 -0.00 -1.85 -2.65 115.31 111.15 1ni7 h LEU 51 Ca -0.02 -0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.72 1ni7 h LEU 51 Cb 0.24 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 1ni7 h LEU 51 CO 0.03 0.88 0.51 0.11 -0.00 0.00 0.00 178.44 179.97 1ni7 h LYS 52 N 0.11 1.04 0.00 1.13 1.57 -0.53 0.76 116.57 120.65 1ni7 h LYS 52 Ca -0.02 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1ni7 h LYS 52 Cb 1.31 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1ni7 h LYS 52 CO 0.11 0.69 -0.29 0.00 -0.57 0.00 0.00 179.45 179.40 1ni7 h ALA 53 N 1.50 0.89 -0.43 3.86 0.00 -0.79 -2.71 119.26 121.58 1ni7 h ALA 53 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ni7 h ALA 53 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ni7 h ALA 53 CO -0.06 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.59 1ni7 n GLN 54 N -3.28 2.84 -4.38 0.00 3.00 0.13 -4.89 117.38 110.81 1ni7 n GLN 54 Ca 0.01 -1.90 -0.20 0.00 -0.01 0.00 0.00 57.00 54.90 1ni7 n GLN 54 Cb 0.55 -1.69 -0.09 0.00 0.00 0.00 0.00 30.24 29.01 1ni7 n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ni7 s ALA 55 N -1.75 2.18 0.08 -1.58 0.00 -0.45 -4.47 121.76 115.77 1ni7 s ALA 55 Ca 0.34 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1ni7 s ALA 55 Cb 0.22 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 1ni7 s ALA 55 CO 0.16 -0.47 -0.01 0.15 0.00 0.00 0.00 175.76 175.59 1ni7 s LYS 56 N -3.77 2.53 -0.04 0.00 1.02 0.54 -4.86 119.74 115.16 1ni7 s LYS 56 Ca 0.33 -0.83 -0.28 0.00 0.02 0.00 0.00 55.97 55.21 1ni7 s LYS 56 Cb 0.04 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1ni7 s LYS 56 CO 0.18 0.55 0.92 -1.21 -0.92 0.00 0.00 175.35 174.86 1ni7 s GLU 57 N -2.17 4.50 -0.30 1.68 2.02 -1.26 -1.65 118.70 121.51 1ni7 s GLU 57 Ca 0.24 1.28 -0.00 0.00 0.02 0.00 0.00 54.97 56.51 1ni7 s GLU 57 Cb -0.12 -3.48 0.09 0.00 0.10 0.00 0.00 34.13 30.73 1ni7 s GLU 57 CO 0.16 -0.08 0.07 0.42 0.02 0.00 0.00 175.26 175.86 1ni7 s ILE 58 N 1.17 1.11 -0.53 -1.63 1.01 0.39 -4.97 121.20 117.74 1ni7 s ILE 58 Ca 0.48 -1.46 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1ni7 s ILE 58 Cb -0.20 -1.78 0.47 0.00 0.01 0.00 0.00 42.46 40.96 1ni7 s ILE 58 CO 0.24 -0.59 1.75 0.00 0.00 0.00 0.00 174.94 176.34 1ni7 n ALA 59 N 4.76 5.82 0.44 9.38 0.00 -1.26 -1.02 120.51 138.63 1ni7 n ALA 59 Ca -0.02 -3.52 0.05 0.00 0.00 0.00 0.00 53.44 49.94 1ni7 n ALA 59 Cb 0.43 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1ni7 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 60 N -0.88 -0.17 3.60 0.00 0.00 -1.26 -4.99 105.19 101.49 1ni7 n GLY 60 Ca 0.56 -0.29 -0.19 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 h GLU 62 N 0.00 0.11 0.00 0.00 4.39 -1.95 -3.43 114.58 113.70 1ni7 h GLU 62 Ca -0.27 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1ni7 h GLU 62 Cb 1.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ni7 h GLU 62 CO 0.35 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.36 1ni7 n ASN 63 N -4.35 0.00 -4.57 1.42 4.13 -1.26 -5.01 115.26 105.61 1ni7 n ASN 63 Ca 0.30 -0.59 -0.37 0.00 1.68 0.00 0.00 54.58 55.60 1ni7 n ASN 63 Cb 1.28 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 39.58 1ni7 n ASN 63 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ni7 n ARG 64 N 0.00 0.60 -3.67 3.52 1.74 -1.26 -4.56 116.66 113.03 1ni7 n ARG 64 Ca 0.00 0.25 -0.09 0.00 -0.77 0.00 0.00 57.85 57.24 1ni7 n ARG 64 Cb 0.00 -2.06 -0.10 0.00 -1.02 0.00 0.00 32.46 29.28 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 -1.71 -0.32 -0.38 1.55 1.01 -0.19 -3.64 120.40 116.73 1ni7 s VAL 65 Ca 0.73 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1ni7 s VAL 65 Cb -0.38 -0.68 0.11 0.00 0.00 0.00 0.00 36.38 35.42 1ni7 s VAL 65 CO 0.51 0.05 0.11 0.26 0.00 0.00 0.00 175.10 176.03 1ni7 s TRP 66 N 1.98 3.66 -0.11 5.22 0.51 -1.11 0.15 118.94 129.23 1ni7 s TRP 66 Ca -0.06 -2.91 -0.04 0.00 -2.12 0.00 0.00 56.10 50.97 1ni7 s TRP 66 Cb -0.10 -2.98 -0.03 0.00 -0.81 0.00 0.00 33.47 29.55 1ni7 s TRP 66 CO -0.14 -0.93 0.03 -1.17 -0.51 0.00 0.00 176.95 174.23 1ni7 s LEU 67 N 0.78 3.71 -0.04 2.99 2.96 -0.66 -1.90 118.68 126.52 1ni7 s LEU 67 Ca 0.11 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1ni7 s LEU 67 Cb -0.21 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1ni7 s LEU 67 CO -0.06 0.34 0.14 -0.83 -1.32 0.00 0.00 176.35 174.62 1ni7 s GLY 68 N -0.62 -0.07 0.30 7.98 0.00 0.81 0.20 107.32 115.92 1ni7 s GLY 68 Ca 0.11 0.28 -0.09 0.00 0.00 0.00 0.00 44.72 45.02 1ni7 s GLY 68 CO 0.02 0.20 0.50 -2.52 0.00 0.00 0.00 173.10 171.31 1ni7 s TYR 69 N -0.28 0.63 -0.03 1.90 -0.85 -1.26 0.13 117.35 117.60 1ni7 s TYR 69 Ca -0.04 -0.97 -0.22 0.00 -0.52 0.00 0.00 57.07 55.32 1ni7 s TYR 69 Cb -0.03 0.14 0.04 0.00 0.38 0.00 0.00 41.96 42.50 1ni7 s TYR 69 CO 0.00 -1.11 0.47 0.95 -1.52 0.00 0.00 175.55 174.35 1ni7 s THR 70 N -3.45 0.03 0.31 -3.49 -4.23 -1.21 -4.97 115.64 98.63 1ni7 s THR 70 Ca 0.25 -0.27 0.08 0.00 -1.18 0.00 0.00 61.69 60.57 1ni7 s THR 70 Cb -0.01 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 1ni7 s THR 70 CO 0.14 -0.15 0.22 -0.69 -0.54 0.00 0.00 174.62 173.60 1ni7 s VAL 71 N -1.31 3.69 0.33 2.29 1.01 -1.26 -2.88 120.40 122.27 1ni7 s VAL 71 Ca -0.12 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.42 1ni7 s VAL 71 Cb -0.03 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1ni7 s VAL 71 CO 0.06 -0.24 0.35 0.00 0.00 0.00 0.00 175.10 175.27 1ni7 s ALA 72 N -2.28 1.39 0.16 5.51 0.00 -1.26 -4.97 121.76 120.31 1ni7 s ALA 72 Ca 0.38 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 50.29 1ni7 s ALA 72 Cb -0.06 1.35 0.05 0.00 0.00 0.00 0.00 23.12 24.46 1ni7 s ALA 72 CO 0.25 -0.71 1.64 1.49 0.00 0.00 0.00 175.76 178.43 1ni7 h GLU 73 N 2.16 -0.17 0.00 0.00 4.81 -2.01 0.45 114.58 119.82 1ni7 h GLU 73 Ca -0.27 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1ni7 h GLU 73 Cb 1.24 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1ni7 h GLU 73 CO 0.38 -0.11 -0.09 -0.97 -0.73 0.00 0.00 179.01 177.49 1ni7 h ASN 74 N -0.17 0.00 0.00 1.04 -1.24 -2.04 -3.45 115.58 109.71 1ni7 h ASN 74 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1ni7 h ASN 74 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ni7 h ASN 74 CO -0.40 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.44 1ni7 n GLY 75 N -0.72 3.33 3.48 1.57 0.00 0.16 -4.97 105.19 108.03 1ni7 n GLY 75 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.82 0.32 -2.00 1.61 5.02 -1.26 -4.33 118.16 115.69 1ni7 n LYS 76 Ca 0.00 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.00 1ni7 n LYS 76 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 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 8.33 3.67 -0.24 1.97 1.75 -0.64 -4.37 119.30 129.77 1ni7 s MET 77 Ca 1.24 0.78 -0.04 0.00 -1.25 0.00 0.00 55.69 56.41 1ni7 s MET 77 Cb -1.01 -2.10 0.08 0.00 2.84 0.00 0.00 34.83 34.64 1ni7 s MET 77 CO 0.46 -0.50 0.11 -1.01 -0.65 0.00 0.00 175.02 173.43 1ni7 s HIS 78 N -3.05 0.30 0.36 4.11 3.76 -1.14 -3.91 115.29 115.72 1ni7 s HIS 78 Ca 0.56 -0.66 -0.15 0.00 -0.15 0.00 0.00 55.06 54.65 1ni7 s HIS 78 Cb -0.11 -0.83 -0.09 0.00 1.11 0.00 0.00 32.58 32.66 1ni7 s HIS 78 CO 0.49 -0.70 0.78 -0.06 -0.85 0.00 0.00 174.74 174.41 1ni7 s PHE 79 N 2.10 3.38 -0.30 1.40 0.40 -1.26 -3.33 117.98 120.38 1ni7 s PHE 79 Ca 0.06 1.26 -0.12 0.00 -0.60 0.00 0.00 56.93 57.53 1ni7 s PHE 79 Cb -0.16 -2.58 0.15 0.00 0.51 0.00 0.00 43.02 40.95 1ni7 s PHE 79 CO -0.25 0.01 0.83 -0.59 0.70 0.00 0.00 175.22 175.92 1ni7 s PHE 80 N -2.11 -1.00 0.00 0.36 -0.12 0.35 -4.95 117.98 110.51 1ni7 s PHE 80 Ca 0.55 1.62 0.00 0.00 -0.05 0.00 0.00 56.93 59.05 1ni7 s PHE 80 Cb -0.10 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1ni7 s PHE 80 CO 0.20 -0.50 0.00 0.41 -0.05 0.00 0.00 175.22 175.27 1ni7 n GLY 81 N 5.22 3.41 1.95 1.99 0.00 -1.25 -0.14 105.19 116.38 1ni7 n GLY 81 Ca -0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 1ni7 n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni7 n ASP 82 N -0.06 -1.04 -3.49 1.61 9.92 -0.80 -4.97 116.55 117.73 1ni7 n ASP 82 Ca 0.00 -1.64 -0.10 0.00 -0.53 0.00 0.00 54.79 52.51 1ni7 n ASP 82 Cb 0.00 1.71 -0.02 0.00 -0.64 0.00 0.00 41.12 42.17 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ni7 s SER 83 N -2.16 -0.44 -0.04 -2.24 0.15 -1.26 -2.74 113.70 104.97 1ni7 s SER 83 Ca 0.10 0.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 1ni7 s SER 83 Cb -0.02 0.45 -0.27 0.00 -1.71 0.00 0.00 66.02 64.47 1ni7 s SER 83 CO 0.04 -0.70 0.98 -0.33 1.20 0.00 0.00 173.24 174.44 1ni7 h GLU 84 N 2.10 0.28 -6.39 5.44 5.08 -1.91 -3.44 114.58 115.75 1ni7 h GLU 84 Ca -0.26 -0.38 -0.51 0.00 -1.00 0.00 0.00 59.36 57.22 1ni7 h GLU 84 Cb 1.25 0.12 0.23 0.00 0.50 0.00 0.00 28.75 30.86 1ni7 h GLU 84 CO 0.33 1.11 -1.46 0.41 -1.00 0.00 0.00 179.01 178.40 1ni7 n GLY 85 N 1.33 -3.08 0.08 -3.84 0.00 -1.26 -4.92 105.19 93.50 1ni7 n GLY 85 Ca -0.11 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.40 0.00 0.05 1.61 -0.00 -1.96 -3.27 114.38 109.40 1ni7 h ARG 86 Ca -0.45 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.03 1ni7 h ARG 86 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.30 1ni7 h ARG 86 CO 0.29 0.37 -0.03 0.97 0.00 0.00 0.00 179.97 181.58 1ni7 h ILE 87 N -1.00 1.27 -1.10 2.04 6.09 -1.92 -2.99 117.51 119.89 1ni7 h ILE 87 Ca -0.12 -1.16 0.31 0.00 -1.37 0.00 0.00 64.86 62.53 1ni7 h ILE 87 Cb 0.75 2.01 -0.11 0.00 0.47 0.00 0.00 36.82 39.95 1ni7 h ILE 87 CO -0.07 0.29 0.70 0.58 -3.07 0.00 0.00 178.15 176.57 1ni7 h VAL 88 N -0.60 0.41 0.68 2.19 2.07 -1.95 0.34 116.25 119.39 1ni7 h VAL 88 Ca -0.01 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1ni7 h VAL 88 Cb 0.52 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ni7 h VAL 88 CO 0.01 0.06 -0.42 -0.09 0.02 0.00 0.00 177.57 177.15 1ni7 h ARG 89 N 0.32 -0.99 -0.25 1.57 2.43 -1.58 -0.91 114.38 114.97 1ni7 h ARG 89 Ca 0.66 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.90 1ni7 h ARG 89 Cb 1.76 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.52 1ni7 h ARG 89 CO -0.36 -0.66 0.15 0.78 -1.51 0.00 0.00 179.97 178.37 1ni7 h GLY 90 N -1.03 0.36 -0.26 2.80 0.00 -0.75 -2.44 103.07 101.75 1ni7 h GLY 90 Ca -0.09 -0.15 0.19 0.00 0.00 0.00 0.00 47.33 47.29 1ni7 h GLY 90 CO 0.09 0.14 0.19 1.41 0.00 0.00 0.00 176.54 178.37 1ni7 h LEU 91 N 0.32 -0.03 -1.17 3.11 3.38 -0.35 1.03 115.31 121.60 1ni7 h LEU 91 Ca 0.09 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.36 1ni7 h LEU 91 Cb 0.01 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1ni7 h LEU 91 CO -0.02 -0.10 0.60 0.25 0.09 0.00 0.00 178.44 179.26 1ni7 h LEU 92 N 0.23 0.77 0.37 1.67 6.46 -0.67 -1.91 115.31 122.24 1ni7 h LEU 92 Ca 0.47 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.26 1ni7 h LEU 92 Cb 0.87 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1ni7 h LEU 92 CO -0.59 0.40 -0.20 0.00 -0.62 0.00 0.00 178.44 177.43 1ni7 h ALA 93 N 1.58 -1.10 -0.96 1.25 0.00 0.12 -0.94 119.26 119.21 1ni7 h ALA 93 Ca 0.47 -0.11 0.37 0.00 0.00 0.00 0.00 54.91 55.64 1ni7 h ALA 93 Cb 0.61 0.28 -0.17 0.00 0.00 0.00 0.00 17.79 18.50 1ni7 h ALA 93 CO -0.23 -1.07 0.41 0.28 0.00 0.00 0.00 179.25 178.64 1ni7 n VAL 94 N -3.54 -0.40 0.31 0.00 0.31 -0.88 0.14 118.33 114.26 1ni7 n VAL 94 Ca -0.07 1.98 -0.17 0.00 -0.01 0.00 0.00 64.34 66.08 1ni7 n VAL 94 Cb 0.22 -3.14 -0.08 0.00 -0.91 0.00 0.00 33.84 29.92 1ni7 n VAL 94 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ni7 h LEU 95 N 0.00 -0.70 -2.01 7.52 6.46 -0.84 -0.31 115.31 125.43 1ni7 h LEU 95 Ca 0.76 0.03 0.15 0.00 -0.12 0.00 0.00 57.88 58.70 1ni7 h LEU 95 Cb 1.95 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 42.05 1ni7 h LEU 95 CO -0.77 -0.47 0.38 -0.07 -0.62 0.00 0.00 178.44 176.89 1ni7 h LEU 96 N -0.77 0.00 -0.78 2.25 4.07 0.27 0.66 115.31 121.01 1ni7 h LEU 96 Ca -0.07 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.77 1ni7 h LEU 96 Cb 0.60 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1ni7 h LEU 96 CO 0.10 0.00 -0.57 0.74 -1.08 0.00 0.00 178.44 177.63 1ni7 h THR 97 N 0.00 1.32 -0.10 0.22 2.02 0.49 -2.57 112.91 114.29 1ni7 h THR 97 Ca 0.24 -2.01 -0.21 0.00 0.77 0.00 0.00 66.41 65.20 1ni7 h THR 97 Cb 1.00 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1ni7 h THR 97 CO -0.00 0.56 -0.78 0.00 0.37 0.00 0.00 175.52 175.66 1ni7 h ALA 98 N 1.43 0.45 -0.82 6.16 0.00 0.19 -3.00 119.26 123.67 1ni7 h ALA 98 Ca -0.01 -0.62 -0.46 0.00 0.00 0.00 0.00 54.91 53.83 1ni7 h ALA 98 Cb 1.07 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.57 1ni7 h ALA 98 CO 0.07 0.74 0.59 1.33 0.00 0.00 0.00 179.25 181.97 1ni7 n VAL 99 N -3.87 2.94 -1.54 0.00 0.24 -0.62 -4.93 118.33 110.56 1ni7 n VAL 99 Ca -0.06 -1.79 -0.29 0.00 -2.04 0.00 0.00 64.34 60.15 1ni7 n VAL 99 Cb 0.74 -0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 32.32 1ni7 n VAL 99 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1ni7 n GLU 100 N -0.78 0.67 -3.41 7.34 0.28 -0.98 -3.32 120.64 120.44 1ni7 n GLU 100 Ca 0.50 -0.24 -0.32 0.00 -0.16 0.00 0.00 57.16 56.94 1ni7 n GLU 100 Cb 1.28 -3.05 0.03 0.00 1.43 0.00 0.00 31.44 31.13 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ni7 n GLY 101 N 6.26 -0.26 3.23 -1.84 0.00 -1.26 -5.00 105.19 106.32 1ni7 n GLY 101 Ca 0.46 1.12 -0.09 0.00 0.00 0.00 0.00 46.02 47.52 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 -2.72 0.96 0.26 1.61 1.02 -1.21 -4.89 119.74 114.77 1ni7 s LYS 102 Ca 0.32 -1.20 -0.18 0.00 0.02 0.00 0.00 55.97 54.93 1ni7 s LYS 102 Cb -0.04 0.32 -0.08 0.00 -0.52 0.00 0.00 37.83 37.50 1ni7 s LYS 102 CO 0.86 -0.31 0.73 0.95 -0.92 0.00 0.00 175.35 176.66 1ni7 s THR 103 N -3.96 4.60 0.24 2.17 -4.23 -1.26 -1.61 115.64 111.59 1ni7 s THR 103 Ca 0.15 1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.73 1ni7 s THR 103 Cb 0.05 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.46 1ni7 s THR 103 CO -0.03 0.08 1.59 0.00 -0.54 0.00 0.00 174.62 175.72 1ni7 h ALA 104 N 3.03 0.52 -0.42 3.99 0.00 -1.95 0.47 119.26 124.91 1ni7 h ALA 104 Ca -0.48 0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ni7 h ALA 104 Cb 1.19 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.52 1ni7 h ALA 104 CO 0.65 -0.41 -0.29 0.00 0.00 0.00 0.00 179.25 179.21 1ni7 h ALA 105 N 1.80 -0.07 -0.35 0.00 0.00 -1.93 -0.06 119.26 118.65 1ni7 h ALA 105 Ca 0.39 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.50 1ni7 h ALA 105 Cb 0.60 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1ni7 h ALA 105 CO -0.84 -0.67 -0.17 0.93 0.00 0.00 0.00 179.25 178.50 1ni7 h GLU 106 N -0.21 -0.11 -0.90 0.00 4.39 -0.49 0.37 114.58 117.64 1ni7 h GLU 106 Ca 0.19 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.10 1ni7 h GLU 106 Cb 0.51 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.07 1ni7 h GLU 106 CO -0.54 -0.07 0.43 -0.07 -1.16 0.00 0.00 179.01 177.60 1ni7 h LEU 107 N -0.11 0.43 -0.84 1.33 3.38 0.32 1.10 115.31 120.92 1ni7 h LEU 107 Ca 0.18 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1ni7 h LEU 107 Cb 0.38 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ni7 h LEU 107 CO -0.42 0.08 -0.49 1.56 0.09 0.00 0.00 178.44 179.26 1ni7 h GLN 108 N 0.49 0.00 0.00 1.13 4.20 0.69 -2.55 115.11 119.07 1ni7 h GLN 108 Ca 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.23 1ni7 h GLN 108 Cb 0.96 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1ni7 h GLN 108 CO -0.47 0.49 -0.09 0.00 -0.67 0.00 0.00 178.83 178.09 1ni7 h ALA 109 N 1.51 0.95 -2.85 3.87 0.00 0.47 -3.41 119.26 119.80 1ni7 h ALA 109 Ca -0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 54.91 54.42 1ni7 h ALA 109 Cb 1.00 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.39 1ni7 h ALA 109 CO 0.06 0.11 -0.70 -1.14 0.00 0.00 0.00 179.25 177.59 1ni7 s GLN 110 N -3.24 0.11 0.26 0.00 0.74 0.24 -5.06 119.66 112.71 1ni7 s GLN 110 Ca 0.06 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.22 1ni7 s GLN 110 Cb 0.06 -1.52 -0.10 0.00 1.10 0.00 0.00 33.01 32.55 1ni7 s GLN 110 CO 0.67 -0.65 1.41 -1.12 -0.55 0.00 0.00 175.29 175.04 1ni7 s SER 111 N 2.22 6.68 0.00 6.67 0.01 -1.22 -4.46 113.70 123.60 1ni7 s SER 111 Ca 0.04 2.66 0.23 0.00 1.31 0.00 0.00 55.95 60.19 1ni7 s SER 111 Cb -0.16 -2.63 1.19 0.00 0.21 0.00 0.00 66.02 64.63 1ni7 s SER 111 CO -0.10 -0.66 1.75 -0.81 0.41 0.00 0.00 173.24 173.82 1ni7 n PRO 112 N 2.04 0.39 0.19 12.44 -0.04 -1.26 -2.47 135.00 146.28 1ni7 n PRO 112 Ca 0.05 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1ni7 n PRO 112 Cb 0.41 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.04 1.53 3.38 -1.97 -3.22 115.31 115.07 1ni7 h LEU 113 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ni7 h LEU 113 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1ni7 h LEU 113 CO 0.00 0.32 -0.22 0.00 0.09 0.00 0.00 178.44 178.64 1ni7 h ALA 114 N 1.68 -0.31 -0.65 1.53 0.00 -1.88 -1.74 119.26 117.89 1ni7 h ALA 114 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1ni7 h ALA 114 Cb 1.01 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1ni7 h ALA 114 CO 0.04 -0.73 -0.50 1.25 0.00 0.00 0.00 179.25 179.32 1ni7 h LEU 115 N -0.37 -1.76 -0.50 0.00 5.85 -1.77 1.32 115.31 118.09 1ni7 h LEU 115 Ca 0.05 0.25 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1ni7 h LEU 115 Cb 0.43 0.76 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 1ni7 h LEU 115 CO -0.18 -0.26 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.01 1ni7 h PHE 116 N -0.14 -1.16 -0.55 1.25 -1.00 -1.61 0.65 116.94 114.39 1ni7 h PHE 116 Ca 0.11 0.07 0.05 0.00 2.81 0.00 0.00 57.97 61.01 1ni7 h PHE 116 Cb 0.42 0.58 -0.03 0.00 3.61 0.00 0.00 35.95 40.52 1ni7 h PHE 116 CO -0.89 -0.42 0.37 0.22 -1.61 0.00 0.00 178.31 175.98 1ni7 h ASP 117 N -0.25 0.49 0.21 2.17 3.58 -0.07 1.46 116.42 124.01 1ni7 h ASP 117 Ca 0.17 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1ni7 h ASP 117 Cb 0.57 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1ni7 h ASP 117 CO -0.63 0.33 -0.10 -0.33 -2.88 0.00 0.00 179.24 175.63 1ni7 h GLU 118 N 0.56 -0.27 0.00 0.28 4.39 0.70 -2.83 114.58 117.41 1ni7 h GLU 118 Ca 0.23 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 1ni7 h GLU 118 Cb 0.21 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1ni7 h GLU 118 CO -0.06 -0.06 -0.54 -0.07 -1.16 0.00 0.00 179.01 177.12 1ni7 h LEU 119 N -0.44 0.00 -1.03 1.33 3.38 0.40 -3.47 115.31 115.48 1ni7 h LEU 119 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ni7 h LEU 119 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ni7 h LEU 119 CO 0.05 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1ni7 n GLY 120 N 0.25 0.82 0.07 0.83 0.00 0.49 -5.02 105.19 102.63 1ni7 n GLY 120 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.67 0.99 3.38 -1.57 -3.34 115.31 112.10 1ni7 h LEU 121 Ca 0.00 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 1ni7 h LEU 121 Cb 0.80 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1ni7 h LEU 121 CO 0.00 0.80 0.22 -1.14 0.09 0.00 0.00 178.44 178.41 1ni7 n ARG 122 N -4.65 1.43 0.32 1.13 3.00 -1.26 -4.28 116.66 112.36 1ni7 n ARG 122 Ca -0.08 -1.02 0.20 0.00 -0.00 0.00 0.00 57.85 56.94 1ni7 n ARG 122 Cb 0.26 -1.40 1.07 0.00 0.00 0.00 0.00 32.46 32.38 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 1.67 1.19 -0.89 5.13 0.00 -1.87 0.35 119.26 124.84 1ni7 h ALA 123 Ca 0.22 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.70 1ni7 h ALA 123 Cb 1.63 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 19.17 1ni7 h ALA 123 CO 0.38 -0.11 0.54 0.94 0.00 0.00 0.00 179.25 181.00 1ni7 n GLN 124 N -3.15 2.46 -0.66 0.00 -0.06 -1.26 -4.99 117.38 109.73 1ni7 n GLN 124 Ca -0.02 -2.83 -0.23 0.00 -2.00 0.00 0.00 57.00 51.92 1ni7 n GLN 124 Cb 0.17 -2.12 0.12 0.00 -4.06 0.00 0.00 30.24 24.36 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 -0.85 -1.92 -3.57 1.69 4.77 0.12 -5.04 117.00 112.21 1ni7 n LEU 125 Ca 0.52 -0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1ni7 n LEU 125 Cb 1.55 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1ni7 n LEU 125 CO 0.54 -2.97 0.61 -0.55 -1.33 0.00 0.00 177.39 173.69 1ni7 s SER 126 N -1.70 -0.36 0.12 -1.43 0.15 -1.26 -4.93 113.70 104.29 1ni7 s SER 126 Ca 0.38 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.59 1ni7 s SER 126 Cb -0.04 0.49 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 1ni7 s SER 126 CO 0.44 -0.83 1.50 0.00 1.20 0.00 0.00 173.24 175.54 1ni7 h ALA 127 N 2.00 -0.73 -0.09 5.45 0.00 -1.99 1.52 119.26 125.43 1ni7 h ALA 127 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1ni7 h ALA 127 Cb 1.26 1.11 -0.00 0.00 0.00 0.00 0.00 17.79 20.15 1ni7 h ALA 127 CO 0.31 -0.98 -0.10 1.03 0.00 0.00 0.00 179.25 179.51 1ni7 h SER 128 N -0.34 0.24 -0.55 0.00 0.87 -2.00 -3.11 113.55 108.65 1ni7 h SER 128 Ca 0.07 -0.49 0.10 0.00 -1.23 0.00 0.00 61.79 60.24 1ni7 h SER 128 Cb 0.53 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.31 1ni7 h SER 128 CO -0.56 0.68 -0.30 0.03 -0.53 0.00 0.00 176.83 176.15 1ni7 h ARG 129 N -0.21 -0.15 -0.43 2.24 3.08 -1.77 -0.04 114.38 117.10 1ni7 h ARG 129 Ca 0.01 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1ni7 h ARG 129 Cb 0.62 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.61 1ni7 h ARG 129 CO 0.02 -0.10 -0.29 0.77 -1.07 0.00 0.00 179.97 179.31 1ni7 h SER 130 N -0.15 -0.97 -0.94 7.04 0.02 0.21 0.15 113.55 118.91 1ni7 h SER 130 Ca 0.23 0.19 0.28 0.00 -0.84 0.00 0.00 61.79 61.65 1ni7 h SER 130 Cb 0.53 0.48 -0.16 0.00 0.14 0.00 0.00 62.40 63.39 1ni7 h SER 130 CO -0.64 -0.29 0.21 1.56 -1.14 0.00 0.00 176.83 176.53 1ni7 h GLN 131 N -0.20 0.10 -0.08 3.45 7.50 -0.94 0.52 115.11 125.45 1ni7 h GLN 131 Ca 0.19 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.37 1ni7 h GLN 131 Cb 0.51 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.98 1ni7 h GLN 131 CO -0.55 0.07 -0.14 0.78 -1.50 0.00 0.00 178.83 177.49 1ni7 h GLY 132 N 0.11 -0.11 0.97 3.46 0.00 -0.31 0.48 103.07 107.67 1ni7 h GLY 132 Ca 0.62 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 48.09 1ni7 h GLY 132 CO -0.77 -0.14 0.19 1.41 0.00 0.00 0.00 176.54 177.23 1ni7 h LEU 133 N -0.20 0.72 -0.62 3.11 -0.00 0.02 -2.50 115.31 115.84 1ni7 h LEU 133 Ca 0.08 -0.18 0.06 0.00 -0.00 0.00 0.00 57.88 57.84 1ni7 h LEU 133 Cb 0.31 -0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 40.72 1ni7 h LEU 133 CO -0.20 0.71 0.31 0.78 -0.00 0.00 0.00 178.44 180.04 1ni7 h ASN 134 N 0.69 0.44 -0.82 -0.43 2.35 0.42 0.13 115.58 118.35 1ni7 h ASN 134 Ca 0.17 0.04 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 1ni7 h ASN 134 Cb 0.22 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.46 1ni7 h ASN 134 CO -0.01 0.28 0.40 0.00 -1.65 0.00 0.00 177.43 176.45 1ni7 h ALA 135 N 1.35 1.23 -0.39 -0.83 0.00 0.37 1.36 119.26 122.34 1ni7 h ALA 135 Ca 0.28 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 1ni7 h ALA 135 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ni7 h ALA 135 CO -0.20 -0.14 -0.31 -0.07 0.00 0.00 0.00 179.25 178.53 1ni7 h LEU 136 N 0.56 0.89 0.69 0.00 3.38 -0.80 -1.99 115.31 118.04 1ni7 h LEU 136 Ca 0.45 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ni7 h LEU 136 Cb 0.67 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ni7 h LEU 136 CO -0.38 1.13 -0.33 -1.28 0.09 0.00 0.00 178.44 177.67 1ni7 h SER 137 N 0.72 -0.78 -1.01 -0.43 0.87 0.20 -2.88 113.55 110.24 1ni7 h SER 137 Ca 0.08 0.02 0.29 0.00 -1.23 0.00 0.00 61.79 60.95 1ni7 h SER 137 Cb 0.87 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1ni7 h SER 137 CO 0.08 -0.40 0.74 1.05 -0.53 0.00 0.00 176.83 177.77 1ni7 h GLU 138 N -1.23 0.00 -0.61 2.24 4.11 0.16 0.52 114.58 119.77 1ni7 h GLU 138 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.37 1ni7 h GLU 138 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1ni7 h GLU 138 CO 0.15 0.00 0.35 0.00 0.07 0.00 0.00 179.01 179.59 1ni7 h ALA 139 N 1.48 0.79 -0.04 1.06 0.00 -1.13 0.97 119.26 122.39 1ni7 h ALA 139 Ca 0.48 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.19 1ni7 h ALA 139 Cb 1.95 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1ni7 h ALA 139 CO -0.01 0.06 -0.83 0.82 0.00 0.00 0.00 179.25 179.30 1ni7 h ILE 140 N 0.68 1.40 -0.12 0.00 2.04 0.05 -2.81 117.51 118.75 1ni7 h ILE 140 Ca 0.26 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 1ni7 h ILE 140 Cb 0.09 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ni7 h ILE 140 CO -0.13 0.69 0.04 0.40 0.00 0.00 0.00 178.15 179.15 1ni7 h ILE 141 N 0.24 1.16 -0.92 -0.67 1.08 -0.20 0.34 117.51 118.54 1ni7 h ILE 141 Ca -0.05 -0.50 0.11 0.00 -0.39 0.00 0.00 64.86 64.03 1ni7 h ILE 141 Cb 1.43 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 36.38 1ni7 h ILE 141 CO 0.14 0.15 0.59 0.00 -0.69 0.00 0.00 178.15 178.34 1ni7 h ALA 142 N 0.87 1.63 0.05 1.87 0.00 0.94 0.73 119.26 125.34 1ni7 h ALA 142 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ni7 h ALA 142 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ni7 h ALA 142 CO -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 1ni7 h ALA 143 N 1.55 -0.06 -0.69 0.00 0.00 -1.16 -3.17 119.26 115.73 1ni7 h ALA 143 Ca 0.43 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ni7 h ALA 143 Cb 0.45 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1ni7 h ALA 143 CO -0.20 -0.29 0.39 1.79 0.00 0.00 0.00 179.25 180.94 1ni7 h THR 144 N -0.54 0.97 -1.16 0.00 1.35 0.59 0.36 112.91 114.48 1ni7 h THR 144 Ca -0.01 -0.24 0.33 0.00 -0.55 0.00 0.00 66.41 65.94 1ni7 h THR 144 Cb 0.49 0.20 -0.07 0.00 -1.73 0.00 0.00 68.15 67.03 1ni7 h THR 144 CO 0.01 0.13 0.80 0.11 -0.25 0.00 0.00 175.52 176.32 1ni7 h LYS 145 N 0.71 0.16 0.20 4.72 1.57 0.46 1.16 116.57 125.55 1ni7 h LYS 145 Ca 0.31 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1ni7 h LYS 145 Cb 0.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ni7 h LYS 145 CO -0.18 0.10 -0.09 0.37 -0.57 0.00 0.00 179.45 179.08 1ni7 h GLN 146 N 0.16 -0.26 0.06 3.15 -0.00 -0.92 -2.56 115.11 114.75 1ni7 h GLN 146 Ca 0.61 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 59.30 1ni7 h GLN 146 Cb 2.04 0.06 -0.04 0.00 0.00 0.00 0.00 27.48 29.54 1ni7 h GLN 146 CO -0.16 -0.01 -0.26 0.28 0.00 0.00 0.00 178.83 178.68 1ni7 h VAL 147 N -1.02 0.42 -0.58 2.39 2.07 -0.58 -2.14 116.25 116.82 1ni7 h VAL 147 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1ni7 h VAL 147 Cb 0.37 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 1ni7 h VAL 147 CO 0.04 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.25 1ni7 h LEU 148 N -0.44 -1.09 0.00 2.57 3.38 0.12 -3.51 115.31 116.34 1ni7 h LEU 148 Ca 0.05 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ni7 h LEU 148 Cb 0.49 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ni7 h LEU 148 CO -0.19 -0.30 0.00 -0.62 0.09 0.00 0.00 178.44 177.43