#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni9 s HIS 0 N 0.00 0.75 0.22 1.61 0.00 -1.26 -4.93 115.29 111.67 1ni9 s HIS 0 Ca 0.00 -0.77 -0.30 0.00 -3.00 0.00 0.00 55.06 51.00 1ni9 s HIS 0 Cb 0.00 -0.45 -0.09 0.00 -4.00 0.00 0.00 32.58 28.05 1ni9 s HIS 0 CO 0.00 -0.15 1.23 0.00 -1.00 0.00 0.00 174.74 174.82 1ni9 s MET 1 N -2.94 4.46 0.67 -0.38 0.00 -1.26 -4.90 119.30 114.96 1ni9 s MET 1 Ca 0.02 1.96 -0.15 0.00 0.00 0.00 0.00 55.69 57.53 1ni9 s MET 1 Cb -0.01 -3.20 0.00 0.00 0.00 0.00 0.00 34.83 31.63 1ni9 s MET 1 CO -0.03 -0.11 1.11 -0.98 0.00 0.00 0.00 175.02 175.01 1ni9 s ARG 2 N -0.51 2.73 0.34 3.16 1.70 -1.26 -4.98 118.95 120.13 1ni9 s ARG 2 Ca 0.53 1.40 0.11 0.00 -0.47 0.00 0.00 55.73 57.30 1ni9 s ARG 2 Cb -0.35 -1.94 0.62 0.00 -0.57 0.00 0.00 34.95 32.71 1ni9 s ARG 2 CO 0.39 -1.31 1.78 0.07 -1.08 0.00 0.00 175.30 175.16 1ni9 h ARG 3 N -0.04 0.08 0.00 3.89 0.11 -2.04 -3.19 114.38 113.19 1ni9 h ARG 3 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1ni9 h ARG 3 Cb 1.25 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1ni9 h ARG 3 CO 0.54 0.46 0.00 0.39 0.10 0.00 0.00 179.97 181.46 1ni9 n GLU 4 N -4.06 0.13 0.00 0.08 4.71 -1.26 -2.66 120.64 117.58 1ni9 n GLU 4 Ca -0.02 0.42 0.11 0.00 -0.01 0.00 0.00 57.16 57.66 1ni9 n GLU 4 Cb 0.44 -1.78 0.60 0.00 -1.01 0.00 0.00 31.44 29.69 1ni9 n GLU 4 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ni9 n LEU 5 N -2.03 0.00 0.36 -4.62 4.32 -1.20 -4.29 117.00 109.54 1ni9 n LEU 5 Ca 0.02 0.16 -0.18 0.00 -0.02 0.00 0.00 56.01 55.99 1ni9 n LEU 5 Cb 0.17 -0.16 -0.09 0.00 -1.62 0.00 0.00 43.42 41.72 1ni9 n LEU 5 CO 0.16 -0.05 0.61 0.00 -1.22 0.00 0.00 177.39 176.89 1ni9 h ALA 6 N 3.20 -0.99 -0.32 -1.18 0.00 -1.78 -2.33 119.26 115.86 1ni9 h ALA 6 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ni9 h ALA 6 Cb 0.12 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ni9 h ALA 6 CO 0.00 -1.07 0.22 0.82 0.00 0.00 0.00 179.25 179.22 1ni9 h ILE 7 N -0.97 1.00 -0.71 0.00 1.08 -1.88 -1.09 117.51 114.95 1ni9 h ILE 7 Ca -0.08 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 1ni9 h ILE 7 Cb 0.78 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 1ni9 h ILE 7 CO 0.09 0.06 0.18 -0.33 -0.69 0.00 0.00 178.15 177.45 1ni9 h GLU 8 N 0.31 1.13 -0.37 2.37 4.39 -1.71 -2.05 114.58 118.65 1ni9 h GLU 8 Ca 0.13 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1ni9 h GLU 8 Cb 0.16 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1ni9 h GLU 8 CO -0.03 0.98 -0.25 0.74 -1.16 0.00 0.00 179.01 179.29 1ni9 h PHE 9 N 1.07 0.86 -0.62 4.33 0.04 -0.84 -3.12 116.94 118.65 1ni9 h PHE 9 Ca 0.22 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1ni9 h PHE 9 Cb 0.36 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1ni9 h PHE 9 CO 0.03 0.93 0.34 0.66 -0.60 0.00 0.00 178.31 179.67 1ni9 h SER 10 N 0.65 0.76 -0.02 2.17 4.64 -0.87 -1.29 113.55 119.60 1ni9 h SER 10 Ca 0.08 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1ni9 h SER 10 Cb 0.77 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1ni9 h SER 10 CO 0.06 0.61 -0.00 0.03 -0.87 0.00 0.00 176.83 176.66 1ni9 h ARG 11 N 0.87 0.08 -0.07 4.77 3.08 -1.32 -1.55 114.38 120.23 1ni9 h ARG 11 Ca 0.22 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1ni9 h ARG 11 Cb 0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ni9 h ARG 11 CO -0.04 0.10 -0.02 0.28 -1.07 0.00 0.00 179.97 179.22 1ni9 h VAL 12 N 0.09 1.31 -0.02 2.04 2.07 -1.22 -1.29 116.25 119.22 1ni9 h VAL 12 Ca 0.02 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1ni9 h VAL 12 Cb 0.07 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1ni9 h VAL 12 CO 0.00 0.27 -0.60 0.71 0.02 0.00 0.00 177.57 177.97 1ni9 h THR 13 N -0.21 1.42 -0.44 2.57 1.35 -1.37 -2.08 112.91 114.16 1ni9 h THR 13 Ca 0.02 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1ni9 h THR 13 Cb 0.44 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1ni9 h THR 13 CO 0.01 0.58 0.28 -0.33 -0.25 0.00 0.00 175.52 175.81 1ni9 h GLU 14 N 0.05 0.58 -0.29 4.72 5.08 -1.22 -0.87 114.58 122.64 1ni9 h GLU 14 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ni9 h GLU 14 Cb 1.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1ni9 h GLU 14 CO 0.08 0.40 0.12 0.77 -1.00 0.00 0.00 179.01 179.39 1ni9 h SER 15 N 0.59 0.39 -0.47 1.42 0.02 -1.17 -0.62 113.55 113.72 1ni9 h SER 15 Ca 0.16 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1ni9 h SER 15 Cb -0.04 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 1ni9 h SER 15 CO -0.03 0.44 0.11 0.00 -1.14 0.00 0.00 176.83 176.21 1ni9 h ALA 16 N 0.97 0.53 -0.38 3.77 0.00 -1.19 -0.28 119.26 122.68 1ni9 h ALA 16 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ni9 h ALA 16 Cb 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ni9 h ALA 16 CO -0.01 -0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.14 1ni9 h ALA 17 N 1.35 0.48 -0.36 0.00 0.00 -1.02 -1.03 119.26 118.70 1ni9 h ALA 17 Ca 0.23 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1ni9 h ALA 17 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ni9 h ALA 17 CO -0.29 0.02 -0.35 -0.07 0.00 0.00 0.00 179.25 178.57 1ni9 h LEU 18 N 0.48 0.85 -0.83 0.00 3.38 -0.68 -1.31 115.31 117.21 1ni9 h LEU 18 Ca 0.13 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1ni9 h LEU 18 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1ni9 h LEU 18 CO -0.02 1.11 0.49 0.00 0.09 0.00 0.00 178.44 180.11 1ni9 h ALA 19 N 0.93 1.05 0.03 1.53 0.00 -0.94 -3.33 119.26 118.53 1ni9 h ALA 19 Ca 0.07 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1ni9 h ALA 19 Cb 0.90 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ni9 h ALA 19 CO 0.08 0.52 -1.15 0.78 0.00 0.00 0.00 179.25 179.49 1ni9 h GLY 20 N 1.13 0.07 1.08 0.00 0.00 -0.98 -3.42 103.07 100.95 1ni9 h GLY 20 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1ni9 h GLY 20 CO -0.05 0.16 0.47 0.10 0.00 0.00 0.00 176.54 177.22 1ni9 h TYR 21 N 0.02 1.18 -0.30 5.60 -0.00 -1.36 -1.25 116.97 120.87 1ni9 h TYR 21 Ca -0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 58.73 58.56 1ni9 h TYR 21 Cb 1.84 -0.38 -0.01 0.00 0.00 0.00 0.00 36.73 38.19 1ni9 h TYR 21 CO 0.01 0.82 -0.08 0.87 -0.00 0.00 0.00 178.16 179.79 1ni9 h LYS 22 N 1.21 0.58 -0.49 0.10 1.57 -1.81 0.12 116.57 117.84 1ni9 h LYS 22 Ca 0.30 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1ni9 h LYS 22 Cb 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1ni9 h LYS 22 CO -0.05 0.77 0.10 -1.49 -0.57 0.00 0.00 179.45 178.21 1ni9 h TRP 23 N 0.34 0.77 -0.03 -1.35 4.06 -1.73 0.11 115.95 118.13 1ni9 h TRP 23 Ca 0.07 -0.07 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1ni9 h TRP 23 Cb 0.56 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1ni9 h TRP 23 CO 0.05 0.67 -0.71 1.25 -3.56 0.00 0.00 178.44 176.14 1ni9 h LEU 24 N 0.72 0.21 -1.29 -4.49 5.85 -1.14 -0.74 115.31 114.44 1ni9 h LEU 24 Ca 0.16 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1ni9 h LEU 24 Cb 0.30 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ni9 h LEU 24 CO 0.00 0.85 -0.26 1.23 -0.34 0.00 0.00 178.44 179.92 1ni9 h GLY 25 N 1.72 0.16 -0.06 3.75 0.00 0.01 -2.57 103.07 106.08 1ni9 h GLY 25 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ni9 h GLY 25 CO 0.11 0.10 0.00 0.54 0.00 0.00 0.00 176.54 177.29 1ni9 n ARG 26 N -4.18 1.21 -0.81 4.80 1.74 0.31 -4.90 116.66 114.82 1ni9 n ARG 26 Ca -0.01 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1ni9 n ARG 26 Cb 0.35 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1ni9 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ni9 n GLY 27 N 0.77 0.30 3.34 -0.13 0.00 -0.97 -4.94 105.19 103.56 1ni9 n GLY 27 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ni9 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni9 n ASP 28 N -0.25 4.50 -0.25 1.61 10.43 -0.31 -4.85 116.55 127.43 1ni9 n ASP 28 Ca 0.00 -2.88 -0.06 0.00 2.57 0.00 0.00 54.79 54.42 1ni9 n ASP 28 Cb 0.13 -1.71 0.05 0.00 1.84 0.00 0.00 41.12 41.43 1ni9 n ASP 28 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1ni9 h LYS 29 N 7.27 0.96 -0.62 -1.24 1.63 -1.91 -1.32 116.57 121.35 1ni9 h LYS 29 Ca 0.47 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 60.12 1ni9 h LYS 29 Cb 0.81 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.22 1ni9 h LYS 29 CO 1.57 0.71 0.19 -0.91 -3.45 0.00 0.00 179.45 177.56 1ni9 h ASN 30 N 0.96 0.86 -0.64 4.20 2.35 -1.96 -2.27 115.58 119.09 1ni9 h ASN 30 Ca 0.25 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1ni9 h ASN 30 Cb 0.01 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1ni9 h ASN 30 CO -0.04 0.81 0.26 0.74 -1.65 0.00 0.00 177.43 177.55 1ni9 h THR 31 N 0.90 1.24 -0.83 2.81 2.02 -1.87 -2.32 112.91 114.86 1ni9 h THR 31 Ca 0.20 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1ni9 h THR 31 Cb 0.26 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1ni9 h THR 31 CO -0.01 0.29 0.49 0.00 0.37 0.00 0.00 175.52 176.66 1ni9 h ALA 32 N 1.10 1.06 0.01 6.16 0.00 -0.97 -0.72 119.26 125.91 1ni9 h ALA 32 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ni9 h ALA 32 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ni9 h ALA 32 CO -0.02 0.53 -0.01 0.22 0.00 0.00 0.00 179.25 179.98 1ni9 h ASP 33 N 1.14 -0.01 -0.74 0.00 -0.00 -1.25 0.16 116.42 115.71 1ni9 h ASP 33 Ca 0.30 -0.43 0.12 0.00 -0.00 0.00 0.00 57.03 57.02 1ni9 h ASP 33 Cb -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 39.33 39.22 1ni9 h ASP 33 CO -0.05 0.43 0.33 1.23 -0.00 0.00 0.00 179.24 181.17 1ni9 h GLY 34 N -0.46 1.13 0.98 -0.78 0.00 -1.20 0.61 103.07 103.35 1ni9 h GLY 34 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1ni9 h GLY 34 CO 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 176.54 176.26 1ni9 h ALA 35 N 1.50 0.46 -0.39 3.60 0.00 -0.86 -1.18 119.26 122.40 1ni9 h ALA 35 Ca 0.39 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ni9 h ALA 35 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ni9 h ALA 35 CO -0.35 0.45 0.08 0.00 0.00 0.00 0.00 179.25 179.43 1ni9 h ALA 36 N 0.74 0.52 -0.22 0.00 0.00 -0.24 -2.06 119.26 118.01 1ni9 h ALA 36 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ni9 h ALA 36 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ni9 h ALA 36 CO 0.07 0.22 0.14 0.28 0.00 0.00 0.00 179.25 179.95 1ni9 h VAL 37 N 0.50 1.06 -0.29 0.00 2.07 -0.79 -1.16 116.25 117.64 1ni9 h VAL 37 Ca 0.12 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ni9 h VAL 37 Cb 0.34 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1ni9 h VAL 37 CO 0.01 0.06 0.16 -1.13 0.02 0.00 0.00 177.57 176.68 1ni9 h ASN 38 N 0.29 0.36 -0.70 0.57 -1.24 -1.04 -1.45 115.58 112.37 1ni9 h ASN 38 Ca 0.08 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1ni9 h ASN 38 Cb -0.02 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 1ni9 h ASN 38 CO -0.02 0.35 0.33 0.00 -1.29 0.00 0.00 177.43 176.80 1ni9 h ALA 39 N 1.03 0.90 -0.57 1.57 0.00 -1.33 -1.38 119.26 119.49 1ni9 h ALA 39 Ca 0.10 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ni9 h ALA 39 Cb 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1ni9 h ALA 39 CO -0.02 0.47 0.35 1.98 0.00 0.00 0.00 179.25 182.04 1ni9 h MET 40 N 0.98 0.67 -0.49 0.00 1.85 -0.96 -2.04 114.93 114.93 1ni9 h MET 40 Ca 0.24 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.30 1ni9 h MET 40 Cb 0.13 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 1ni9 h MET 40 CO -0.03 0.44 0.32 -0.09 -0.40 0.00 0.00 176.91 177.16 1ni9 h ARG 41 N 0.69 0.64 -0.64 0.39 2.43 -0.89 -0.67 114.38 116.34 1ni9 h ARG 41 Ca 0.23 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1ni9 h ARG 41 Cb 0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1ni9 h ARG 41 CO -0.10 0.42 0.17 0.82 -1.51 0.00 0.00 179.97 179.78 1ni9 h ILE 42 N 0.66 1.25 0.04 1.20 2.04 -1.04 -1.90 117.51 119.75 1ni9 h ILE 42 Ca 0.18 -0.90 -0.23 0.00 1.00 0.00 0.00 64.86 64.91 1ni9 h ILE 42 Cb -0.07 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1ni9 h ILE 42 CO -0.04 0.34 -1.01 0.24 0.00 0.00 0.00 178.15 177.68 1ni9 h MET 43 N 0.94 0.32 -0.76 2.37 2.86 -1.28 -2.74 114.93 116.64 1ni9 h MET 43 Ca 0.20 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1ni9 h MET 43 Cb 0.34 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1ni9 h MET 43 CO -0.00 1.10 0.48 -0.07 1.06 0.00 0.00 176.91 179.48 1ni9 h LEU 44 N 0.16 0.89 -0.66 1.22 3.38 -0.85 -2.61 115.31 116.83 1ni9 h LEU 44 Ca -0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ni9 h LEU 44 Cb 1.67 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1ni9 h LEU 44 CO 0.17 0.66 0.00 0.59 0.09 0.00 0.00 178.44 179.95 1ni9 n ASN 45 N -4.40 0.56 -0.03 -0.43 3.02 -0.74 -1.86 115.26 111.38 1ni9 n ASN 45 Ca 0.08 0.65 0.14 0.00 -0.03 0.00 0.00 54.58 55.42 1ni9 n ASN 45 Cb 0.05 -0.76 0.53 0.00 -0.61 0.00 0.00 39.78 38.98 1ni9 n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ni9 n GLN 46 N -2.13 0.21 -3.51 3.52 1.13 -0.98 -3.33 117.38 112.29 1ni9 n GLN 46 Ca 0.02 -0.07 -0.38 0.00 -1.94 0.00 0.00 57.00 54.64 1ni9 n GLN 46 Cb 0.20 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 1ni9 n GLN 46 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ni9 s VAL 47 N -2.83 5.10 -1.34 5.09 1.01 -0.78 -4.88 120.40 121.77 1ni9 s VAL 47 Ca 0.18 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 1ni9 s VAL 47 Cb 0.19 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.95 1ni9 s VAL 47 CO 0.56 0.54 1.87 0.59 0.00 0.00 0.00 175.10 178.65 1ni9 n ASN 48 N 2.16 4.66 -4.17 3.32 5.03 -1.26 -1.56 115.26 123.43 1ni9 n ASN 48 Ca -0.13 -2.91 -0.11 0.00 0.87 0.00 0.00 54.58 52.29 1ni9 n ASN 48 Cb 0.52 -1.69 -0.10 0.00 -1.02 0.00 0.00 39.78 37.49 1ni9 n ASN 48 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1ni9 s ILE 49 N 3.44 0.75 -0.81 2.41 -4.36 -1.01 -4.27 121.20 117.34 1ni9 s ILE 49 Ca 0.50 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.98 1ni9 s ILE 49 Cb 0.07 -1.56 0.21 0.00 1.25 0.00 0.00 42.46 42.42 1ni9 s ILE 49 CO 0.02 -0.78 0.71 -0.62 0.24 0.00 0.00 174.94 174.50 1ni9 s ASP 50 N -2.85 6.22 0.05 4.36 2.15 0.30 -1.68 116.67 125.20 1ni9 s ASP 50 Ca 0.10 -3.03 -0.03 0.00 0.43 0.00 0.00 52.55 50.01 1ni9 s ASP 50 Cb 0.03 -2.05 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1ni9 s ASP 50 CO -0.03 -0.41 0.25 -0.83 -0.17 0.00 0.00 175.17 173.98 1ni9 s GLY 51 N 1.19 2.21 -0.07 2.66 0.00 -0.26 -1.68 107.32 111.37 1ni9 s GLY 51 Ca 0.21 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1ni9 s GLY 51 CO -0.08 -0.60 -0.13 -1.59 0.00 0.00 0.00 173.10 170.70 1ni9 s THR 52 N -1.44 1.22 -0.23 0.90 2.01 -0.46 -1.04 115.64 116.60 1ni9 s THR 52 Ca 0.32 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1ni9 s THR 52 Cb -0.13 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1ni9 s THR 52 CO 0.22 0.37 1.30 -0.63 -0.69 0.00 0.00 174.62 175.19 1ni9 s ILE 53 N 0.69 4.18 -0.03 1.82 -1.09 -0.33 -0.92 121.20 125.53 1ni9 s ILE 53 Ca -0.14 1.38 0.10 0.00 -2.23 0.00 0.00 60.65 59.77 1ni9 s ILE 53 Cb -0.16 -4.06 -0.15 0.00 -1.58 0.00 0.00 42.46 36.51 1ni9 s ILE 53 CO 0.03 -0.31 0.19 1.33 -1.23 0.00 0.00 174.94 174.95 1ni9 n VAL 54 N 5.84 0.15 -4.00 2.92 0.24 -0.03 0.48 118.33 123.92 1ni9 n VAL 54 Ca 0.15 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.34 61.98 1ni9 n VAL 54 Cb 0.46 0.04 -0.16 0.00 -1.47 0.00 0.00 33.84 32.70 1ni9 n VAL 54 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ni9 s ILE 55 N -2.62 0.30 0.00 1.34 1.01 -1.01 -4.91 121.20 115.31 1ni9 s ILE 55 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1ni9 s ILE 55 Cb 0.06 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1ni9 s ILE 55 CO 0.43 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1ni9 n GLY 56 N 4.15 1.24 0.50 6.18 0.00 -1.26 -1.27 105.19 114.74 1ni9 n GLY 56 Ca -0.25 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1ni9 n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ni9 n GLU 57 N 0.00 1.32 0.00 1.61 -0.58 -0.82 -4.93 120.64 117.24 1ni9 n GLU 57 Ca 0.00 -1.01 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 1ni9 n GLU 57 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1ni9 n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ni9 n GLY 58 N 1.37 2.40 0.00 0.62 0.00 -1.26 -4.11 105.19 104.21 1ni9 n GLY 58 Ca 0.11 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1ni9 n GLY 58 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ni9 n GLU 59 N -0.43 0.00 0.00 1.61 0.28 -1.26 -2.66 120.64 118.17 1ni9 n GLU 59 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ni9 n GLU 59 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ni9 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ni9 n ALA 63 N 0.00 -1.75 1.02 -1.84 0.00 -1.26 -4.82 120.51 111.87 1ni9 n ALA 63 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ni9 n ALA 63 Cb 0.00 -0.43 0.47 0.00 0.00 0.00 0.00 19.45 19.49 1ni9 n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ni9 n PRO 64 N -0.41 0.04 -3.75 0.00 -0.04 -1.26 -4.64 135.00 124.94 1ni9 n PRO 64 Ca 0.00 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 1ni9 n PRO 64 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1ni9 n PRO 64 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1ni9 s MET 65 N -2.97 0.38 -1.24 0.54 1.75 -1.26 -4.83 119.30 111.67 1ni9 s MET 65 Ca 0.14 0.51 -0.17 0.00 -1.25 0.00 0.00 55.69 54.92 1ni9 s MET 65 Cb 0.18 0.14 0.00 0.00 2.84 0.00 0.00 34.83 38.00 1ni9 s MET 65 CO 0.59 -0.07 0.65 1.28 -0.65 0.00 0.00 175.02 176.83 1ni9 n LEU 66 N 3.17 -2.22 -4.93 4.11 4.77 -1.26 -4.70 117.00 115.94 1ni9 n LEU 66 Ca -0.15 -1.06 -0.25 0.00 -0.03 0.00 0.00 56.01 54.51 1ni9 n LEU 66 Cb 0.57 -2.21 -0.01 0.00 -2.33 0.00 0.00 43.42 39.45 1ni9 n LEU 66 CO 0.14 0.52 0.27 -0.72 -1.33 0.00 0.00 177.39 176.27 1ni9 s TYR 67 N -3.64 3.52 -0.03 -1.77 -0.85 -1.26 -1.94 117.35 111.38 1ni9 s TYR 67 Ca 0.33 0.51 -0.34 0.00 -0.52 0.00 0.00 57.07 57.06 1ni9 s TYR 67 Cb -0.13 -2.04 -0.12 0.00 0.38 0.00 0.00 41.96 40.05 1ni9 s TYR 67 CO 0.89 -0.02 1.83 -0.89 -1.52 0.00 0.00 175.55 175.84 1ni9 n ILE 68 N -1.95 0.48 -0.17 -3.49 5.41 -1.09 -1.06 119.36 117.48 1ni9 n ILE 68 Ca -0.03 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1ni9 n ILE 68 Cb 0.56 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1ni9 n ILE 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ni9 n GLY 69 N 4.23 0.67 3.77 7.39 0.00 0.18 -4.94 105.19 116.49 1ni9 n GLY 69 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1ni9 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ni9 s GLU 70 N -0.74 4.16 -0.04 1.61 2.12 -0.23 -4.69 118.70 120.89 1ni9 s GLU 70 Ca 0.00 2.22 -0.17 0.00 0.36 0.00 0.00 54.97 57.38 1ni9 s GLU 70 Cb 0.00 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 1ni9 s GLU 70 CO 0.00 -0.36 0.46 0.15 -0.54 0.00 0.00 175.26 174.97 1ni9 s LYS 71 N -2.03 4.14 0.08 4.30 -0.14 -1.26 -1.18 119.74 123.65 1ni9 s LYS 71 Ca 0.53 0.47 -0.02 0.00 -1.36 0.00 0.00 55.97 55.59 1ni9 s LYS 71 Cb -0.40 -3.32 -0.03 0.00 -1.68 0.00 0.00 37.83 32.40 1ni9 s LYS 71 CO 0.52 0.46 0.03 0.14 -0.76 0.00 0.00 175.35 175.73 1ni9 s VAL 72 N -0.36 0.18 0.00 3.17 -7.23 -0.21 -4.99 120.40 110.96 1ni9 s VAL 72 Ca 0.25 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1ni9 s VAL 72 Cb -0.16 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1ni9 s VAL 72 CO 0.13 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 1ni9 n GLY 73 N 0.03 1.73 0.00 2.32 0.00 -1.22 -1.10 105.19 106.95 1ni9 n GLY 73 Ca -0.12 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 43.99 1ni9 n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ni9 n THR 74 N 1.92 1.23 -0.19 2.61 -2.24 -0.60 -4.78 114.28 112.23 1ni9 n THR 74 Ca 0.00 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1ni9 n THR 74 Cb 0.00 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1ni9 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ni9 n GLY 75 N -0.44 2.25 3.94 3.38 0.00 -0.68 -4.99 105.19 108.66 1ni9 n GLY 75 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1ni9 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ni9 s ARG 76 N -0.13 1.73 2.44 1.61 0.52 -1.25 -4.46 118.95 119.41 1ni9 s ARG 76 Ca 0.00 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1ni9 s ARG 76 Cb 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1ni9 s ARG 76 CO 0.00 -1.54 0.00 0.41 0.02 0.00 0.00 175.30 174.19 1ni9 n GLY 77 N -3.08 -0.18 3.75 -3.53 0.00 -1.26 -2.38 105.19 98.50 1ni9 n GLY 77 Ca 0.11 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1ni9 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni9 n ASP 78 N -2.01 2.86 -4.69 1.61 8.00 -1.26 -4.06 116.55 117.01 1ni9 n ASP 78 Ca 0.00 1.02 -0.42 0.00 0.71 0.00 0.00 54.79 56.10 1ni9 n ASP 78 Cb 0.00 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 39.48 1ni9 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ni9 s ALA 79 N -1.26 3.39 0.08 2.24 0.00 -1.26 -0.54 121.76 124.40 1ni9 s ALA 79 Ca 0.69 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1ni9 s ALA 79 Cb -0.43 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1ni9 s ALA 79 CO 0.51 -0.53 -0.06 0.14 0.00 0.00 0.00 175.76 175.82 1ni9 s VAL 80 N 1.83 0.57 0.04 0.00 -7.23 -0.68 -3.94 120.40 110.99 1ni9 s VAL 80 Ca 0.46 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1ni9 s VAL 80 Cb -0.18 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1ni9 s VAL 80 CO 0.18 -0.77 0.07 -1.81 -0.31 0.00 0.00 175.10 172.46 1ni9 s ASP 81 N -2.64 5.51 -0.03 4.85 1.01 -0.39 -1.35 116.67 123.63 1ni9 s ASP 81 Ca 0.05 0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.36 1ni9 s ASP 81 Cb 0.02 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.45 1ni9 s ASP 81 CO -0.04 0.22 -0.06 -0.63 0.21 0.00 0.00 175.17 174.87 1ni9 s ILE 82 N -1.29 0.55 -0.09 0.77 1.01 -0.10 -1.52 121.20 120.54 1ni9 s ILE 82 Ca 0.26 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1ni9 s ILE 82 Cb -0.12 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 1ni9 s ILE 82 CO 0.18 0.20 -0.21 0.00 0.00 0.00 0.00 174.94 175.10 1ni9 s ALA 83 N 0.45 2.30 0.05 9.38 0.00 0.38 -0.85 121.76 133.47 1ni9 s ALA 83 Ca -0.06 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 50.98 1ni9 s ALA 83 Cb -0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1ni9 s ALA 83 CO 0.00 0.35 -0.18 0.14 0.00 0.00 0.00 175.76 176.07 1ni9 s VAL 84 N 0.07 1.45 -0.46 0.00 -7.23 -0.40 -1.11 120.40 112.72 1ni9 s VAL 84 Ca -0.09 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 58.94 1ni9 s VAL 84 Cb -0.15 -1.29 0.18 0.00 0.56 0.00 0.00 36.38 35.67 1ni9 s VAL 84 CO 0.06 0.07 0.52 -0.62 -0.31 0.00 0.00 175.10 174.82 1ni9 s ASP 85 N -1.31 0.04 0.39 4.85 -1.08 -0.65 -4.29 116.67 114.62 1ni9 s ASP 85 Ca 0.05 -2.34 0.06 0.00 -0.52 0.00 0.00 52.55 49.80 1ni9 s ASP 85 Cb -0.09 0.73 0.80 0.00 -1.46 0.00 0.00 42.92 42.91 1ni9 s ASP 85 CO 0.02 -0.12 2.03 -0.65 0.52 0.00 0.00 175.17 176.97 1ni9 h PRO 86 N 5.45 0.63 -3.01 4.34 0.11 -1.89 -1.75 132.00 135.88 1ni9 h PRO 86 Ca 0.16 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.69 1ni9 h PRO 86 Cb 1.01 -0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.58 1ni9 h PRO 86 CO 0.19 0.41 -0.77 0.42 -0.21 0.00 0.00 178.00 178.04 1ni9 s ILE 87 N -5.57 0.17 -0.14 4.15 1.01 -1.26 -4.00 121.20 115.56 1ni9 s ILE 87 Ca -0.09 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1ni9 s ILE 87 Cb 0.18 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1ni9 s ILE 87 CO 0.75 -0.67 0.23 -0.70 0.00 0.00 0.00 174.94 174.55 1ni9 s GLU 88 N 1.98 4.01 0.00 2.79 2.12 0.30 -4.95 118.70 124.94 1ni9 s GLU 88 Ca 0.08 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.42 1ni9 s GLU 88 Cb -0.16 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1ni9 s GLU 88 CO -0.31 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 1ni9 n GLY 89 N 2.89 4.33 2.47 -1.50 0.00 -1.26 -0.72 105.19 111.40 1ni9 n GLY 89 Ca -0.15 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 1ni9 n GLY 89 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ni9 n THR 90 N -1.81 2.63 0.00 2.61 5.66 -1.26 -4.88 114.28 117.23 1ni9 n THR 90 Ca 0.00 -5.29 0.00 0.00 -3.05 0.00 0.00 64.05 55.71 1ni9 n THR 90 Cb 0.00 -2.10 0.00 0.00 -1.55 0.00 0.00 70.33 66.68 1ni9 n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ni9 n GLN 97 N 0.88 0.00 -1.81 1.09 6.02 -1.26 -5.03 117.38 117.27 1ni9 n GLN 97 Ca 0.30 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.99 1ni9 n GLN 97 Cb 0.40 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.79 1ni9 n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ni9 s ALA 98 N -2.28 2.33 -1.25 -1.58 0.00 -1.26 -4.12 121.76 113.60 1ni9 s ALA 98 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1ni9 s ALA 98 Cb 0.00 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1ni9 s ALA 98 CO 0.00 -2.02 0.07 0.09 0.00 0.00 0.00 175.76 173.90 1ni9 n ASN 99 N -3.55 -4.41 -4.76 0.00 3.02 -0.39 -4.93 115.26 100.24 1ni9 n ASN 99 Ca 0.09 0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 54.33 1ni9 n ASN 99 Cb 0.60 -3.71 -0.06 0.00 -0.61 0.00 0.00 39.78 36.01 1ni9 n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ni9 s ALA 100 N -2.76 3.47 0.03 5.41 0.00 -1.26 -4.26 121.76 122.40 1ni9 s ALA 100 Ca 0.05 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1ni9 s ALA 100 Cb -0.02 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1ni9 s ALA 100 CO 0.06 0.16 -0.05 -0.51 0.00 0.00 0.00 175.76 175.42 1ni9 s LEU 101 N -0.23 2.28 -0.18 0.00 1.02 0.11 -1.20 118.68 120.48 1ni9 s LEU 101 Ca 0.33 -0.58 -0.07 0.00 0.02 0.00 0.00 54.13 53.82 1ni9 s LEU 101 Cb -0.19 0.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.99 1ni9 s LEU 101 CO 0.19 -0.30 0.05 0.00 0.02 0.00 0.00 176.35 176.30 1ni9 s ALA 102 N -1.75 3.34 -0.00 4.21 0.00 0.14 -0.54 121.76 127.15 1ni9 s ALA 102 Ca -0.11 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1ni9 s ALA 102 Cb -0.08 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1ni9 s ALA 102 CO -0.01 0.14 -0.14 0.08 0.00 0.00 0.00 175.76 175.83 1ni9 s VAL 103 N 0.44 1.08 -0.06 0.00 1.01 -0.66 -0.61 120.40 121.60 1ni9 s VAL 103 Ca 0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1ni9 s VAL 103 Cb -0.13 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1ni9 s VAL 103 CO 0.01 0.25 0.16 -0.22 0.00 0.00 0.00 175.10 175.30 1ni9 s LEU 104 N -0.46 1.22 -0.03 3.92 2.96 0.21 -1.64 118.68 124.86 1ni9 s LEU 104 Ca 0.05 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1ni9 s LEU 104 Cb -0.06 0.52 0.00 0.00 0.50 0.00 0.00 46.19 47.15 1ni9 s LEU 104 CO -0.00 -0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 174.86 1ni9 s ALA 105 N 0.35 0.90 -0.03 5.97 0.00 -0.27 -0.49 121.76 128.20 1ni9 s ALA 105 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1ni9 s ALA 105 Cb -0.04 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1ni9 s ALA 105 CO -0.01 0.13 -0.06 0.08 0.00 0.00 0.00 175.76 175.90 1ni9 s VAL 106 N 0.26 0.58 0.27 0.00 1.01 -0.24 -0.47 120.40 121.82 1ni9 s VAL 106 Ca -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1ni9 s VAL 106 Cb -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1ni9 s VAL 106 CO 0.01 0.20 0.44 0.61 0.00 0.00 0.00 175.10 176.36 1ni9 n GLY 107 N 3.46 1.99 3.49 4.51 0.00 -0.58 0.01 105.19 118.07 1ni9 n GLY 107 Ca -0.19 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 1ni9 n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni9 n ASP 108 N -1.63 -0.72 -4.64 1.61 8.00 -0.97 -1.26 116.55 116.94 1ni9 n ASP 108 Ca -0.02 0.76 -0.47 0.00 0.71 0.00 0.00 54.79 55.77 1ni9 n ASP 108 Cb 0.44 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.30 1ni9 n ASP 108 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ni9 n LYS 109 N -0.17 1.76 -0.84 -1.24 4.76 -1.25 -1.06 118.16 120.13 1ni9 n LYS 109 Ca 0.12 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1ni9 n LYS 109 Cb 0.47 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 1ni9 n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ni9 n GLY 110 N 2.42 0.89 0.23 0.72 0.00 -1.26 -4.94 105.19 103.26 1ni9 n GLY 110 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1ni9 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni9 s PHE 112 N -4.75 3.31 0.31 0.00 0.40 -1.26 -0.02 117.98 115.97 1ni9 s PHE 112 Ca -0.04 0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 56.16 1ni9 s PHE 112 Cb 0.16 -2.11 -0.12 0.00 0.51 0.00 0.00 43.02 41.46 1ni9 s PHE 112 CO 0.70 0.20 1.51 -0.11 0.70 0.00 0.00 175.22 178.22 1ni9 n LEU 113 N 3.55 4.17 -4.42 -0.37 7.94 -0.70 -4.93 117.00 122.23 1ni9 n LEU 113 Ca -0.16 1.17 -0.45 0.00 -1.11 0.00 0.00 56.01 55.46 1ni9 n LEU 113 Cb 0.52 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 1ni9 n LEU 113 CO 0.36 -0.01 0.81 0.21 -1.11 0.00 0.00 177.39 177.65 1ni9 s ASN 114 N 0.25 6.61 -0.01 1.96 2.47 -1.26 -4.95 114.94 120.00 1ni9 s ASN 114 Ca 0.61 -2.09 -0.01 0.00 0.42 0.00 0.00 52.86 51.79 1ni9 s ASN 114 Cb -0.52 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 36.89 1ni9 s ASN 114 CO 0.53 -0.98 0.09 0.00 -3.72 0.00 0.00 177.10 173.03 1ni9 s ALA 115 N 2.20 3.64 0.91 1.71 0.00 -1.26 -5.08 121.76 123.88 1ni9 s ALA 115 Ca 0.28 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1ni9 s ALA 115 Cb -0.08 -1.63 0.14 0.00 0.00 0.00 0.00 23.12 21.55 1ni9 s ALA 115 CO -0.07 0.69 1.11 -2.14 0.00 0.00 0.00 175.76 175.35 1ni9 s PRO 116 N -1.71 1.07 -1.03 0.00 0.02 -1.26 -4.57 135.00 127.52 1ni9 s PRO 116 Ca 0.23 1.29 -0.23 0.00 0.02 0.00 0.00 61.00 62.31 1ni9 s PRO 116 Cb -0.12 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1ni9 s PRO 116 CO 0.14 -2.51 1.65 0.34 -0.33 0.00 0.00 177.00 176.29 1ni9 s ASP 117 N -2.90 6.08 0.19 2.53 2.15 -1.26 -4.41 116.67 119.04 1ni9 s ASP 117 Ca 0.65 -1.37 0.03 0.00 0.43 0.00 0.00 52.55 52.29 1ni9 s ASP 117 Cb -0.21 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.79 1ni9 s ASP 117 CO 0.58 -1.90 -0.01 -0.32 -0.17 0.00 0.00 175.17 173.35 1ni9 s MET 118 N 5.53 1.18 0.67 4.34 1.75 -1.26 -4.99 119.30 126.53 1ni9 s MET 118 Ca 0.55 -1.57 -0.11 0.00 -1.25 0.00 0.00 55.69 53.31 1ni9 s MET 118 Cb -0.01 -0.42 -0.01 0.00 2.84 0.00 0.00 34.83 37.23 1ni9 s MET 118 CO -0.04 -0.10 1.06 0.71 -0.65 0.00 0.00 175.02 176.00 1ni9 s TYR 119 N -3.55 3.38 -0.17 4.11 1.51 -1.22 -0.42 117.35 120.99 1ni9 s TYR 119 Ca 0.25 1.26 -0.08 0.00 -1.01 0.00 0.00 57.07 57.49 1ni9 s TYR 119 Cb 0.06 -2.86 0.07 0.00 -0.11 0.00 0.00 41.96 39.11 1ni9 s TYR 119 CO 0.05 -1.01 0.39 1.41 -1.11 0.00 0.00 175.55 175.28 1ni9 s MET 120 N -5.18 0.33 0.09 -0.62 1.75 0.16 -2.10 119.30 113.72 1ni9 s MET 120 Ca 0.57 0.85 -0.29 0.00 -1.25 0.00 0.00 55.69 55.56 1ni9 s MET 120 Cb -0.12 0.08 -0.05 0.00 2.84 0.00 0.00 34.83 37.58 1ni9 s MET 120 CO 0.54 -0.20 0.93 -2.00 -0.65 0.00 0.00 175.02 173.64 1ni9 s GLU 121 N 1.88 4.65 -0.10 4.11 2.12 0.86 -1.59 118.70 130.63 1ni9 s GLU 121 Ca -0.06 1.39 0.01 0.00 0.36 0.00 0.00 54.97 56.67 1ni9 s GLU 121 Cb -0.10 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.92 1ni9 s GLU 121 CO -0.12 0.20 -0.12 0.15 -0.54 0.00 0.00 175.26 174.83 1ni9 s LYS 122 N 0.08 1.90 -0.19 4.30 1.02 0.23 -0.80 119.74 126.29 1ni9 s LYS 122 Ca 0.46 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.02 1ni9 s LYS 122 Cb -0.23 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1ni9 s LYS 122 CO 0.29 -0.11 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.30 1ni9 s LEU 123 N 1.14 2.25 -0.04 3.17 2.96 -0.86 -1.87 118.68 125.42 1ni9 s LEU 123 Ca -0.05 -0.79 0.03 0.00 -0.22 0.00 0.00 54.13 53.10 1ni9 s LEU 123 Cb -0.14 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1ni9 s LEU 123 CO -0.03 -0.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.18 1ni9 s ILE 124 N 1.35 0.95 0.19 6.68 1.01 -0.12 -1.81 121.20 129.44 1ni9 s ILE 124 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1ni9 s ILE 124 Cb -0.15 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1ni9 s ILE 124 CO -0.10 0.30 -0.01 0.68 0.00 0.00 0.00 174.94 175.81 1ni9 s VAL 125 N 0.34 0.82 0.78 2.92 -7.23 -0.12 -0.51 120.40 117.41 1ni9 s VAL 125 Ca -0.07 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 1ni9 s VAL 125 Cb -0.11 -2.16 0.16 0.00 0.56 0.00 0.00 36.38 34.83 1ni9 s VAL 125 CO 0.01 -0.45 1.06 0.61 -0.31 0.00 0.00 175.10 176.03 1ni9 n GLY 126 N -0.29 0.06 0.40 2.32 0.00 -1.25 -1.00 105.19 105.42 1ni9 n GLY 126 Ca -0.06 -1.94 0.18 0.00 0.00 0.00 0.00 46.02 44.20 1ni9 n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ni9 h PRO 127 N 0.00 0.37 0.00 1.61 0.11 -1.81 -1.29 132.00 131.00 1ni9 h PRO 127 Ca -0.35 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ni9 h PRO 127 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ni9 h PRO 127 CO 0.33 0.25 -0.01 0.78 -0.21 0.00 0.00 178.00 179.14 1ni9 h GLY 128 N 0.38 0.00 -0.65 -0.55 0.00 -1.94 -2.68 103.07 97.63 1ni9 h GLY 128 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1ni9 h GLY 128 CO -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.11 1ni9 n ALA 129 N -2.18 2.54 -1.76 3.60 0.00 -0.51 -4.46 120.51 117.74 1ni9 n ALA 129 Ca -0.03 -2.47 -0.41 0.00 0.00 0.00 0.00 53.44 50.54 1ni9 n ALA 129 Cb 0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1ni9 n ALA 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ni9 n LYS 130 N -0.95 2.70 -1.02 0.00 4.81 -1.01 -2.65 118.16 120.05 1ni9 n LYS 130 Ca 0.13 0.95 -0.01 0.00 -0.87 0.00 0.00 58.31 58.52 1ni9 n LYS 130 Cb 0.70 -2.71 -0.00 0.00 0.02 0.00 0.00 35.03 33.04 1ni9 n LYS 130 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ni9 n GLY 131 N 1.21 0.48 0.36 3.14 0.00 -1.26 -4.91 105.19 104.21 1ni9 n GLY 131 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.53 1ni9 n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ni9 n THR 132 N -2.95 0.00 -4.27 2.61 -2.24 -1.08 -5.02 114.28 101.32 1ni9 n THR 132 Ca -0.01 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1ni9 n THR 132 Cb 0.04 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1ni9 n THR 132 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1ni9 s ILE 133 N -1.76 3.10 -0.30 2.28 -4.36 -1.26 -4.67 121.20 114.23 1ni9 s ILE 133 Ca 0.13 -1.45 -0.05 0.00 -0.26 0.00 0.00 60.65 59.02 1ni9 s ILE 133 Cb 0.12 -2.45 0.19 0.00 1.25 0.00 0.00 42.46 41.56 1ni9 s ILE 133 CO 0.36 0.07 0.80 -0.62 0.24 0.00 0.00 174.94 175.79 1ni9 s ASP 134 N -2.29 -1.00 0.00 4.36 -1.08 -1.26 -4.96 116.67 110.44 1ni9 s ASP 134 Ca 0.20 0.49 0.19 0.00 -0.52 0.00 0.00 52.55 52.91 1ni9 s ASP 134 Cb -0.10 1.78 1.00 0.00 -1.46 0.00 0.00 42.92 44.14 1ni9 s ASP 134 CO 0.12 -0.19 1.58 0.18 0.52 0.00 0.00 175.17 177.39 1ni9 n LEU 135 N 5.41 0.00 0.03 -1.34 4.77 -1.26 -1.44 117.00 123.17 1ni9 n LEU 135 Ca -0.01 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.31 1ni9 n LEU 135 Cb 0.53 -0.23 0.48 0.00 -2.33 0.00 0.00 43.42 41.88 1ni9 n LEU 135 CO -0.05 -0.09 0.87 0.59 -1.33 0.00 0.00 177.39 177.39 1ni9 n ASN 136 N -1.23 0.23 -4.93 -1.43 3.02 -1.26 -4.78 115.26 104.88 1ni9 n ASN 136 Ca 0.10 0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 54.93 1ni9 n ASN 136 Cb 0.13 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 1ni9 n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ni9 s LEU 137 N -3.45 4.04 0.52 3.41 1.43 -0.52 -5.07 118.68 119.03 1ni9 s LEU 137 Ca 0.10 0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.53 1ni9 s LEU 137 Cb 0.14 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 1ni9 s LEU 137 CO 0.45 -0.24 1.26 -2.65 0.23 0.00 0.00 176.35 175.40 1ni9 n PRO 138 N -1.39 1.62 -0.31 1.29 -0.02 -1.26 -4.77 135.00 130.16 1ni9 n PRO 138 Ca -0.04 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1ni9 n PRO 138 Cb 0.55 -2.45 0.23 0.00 -0.02 0.00 0.00 33.50 31.81 1ni9 n PRO 138 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ni9 h LEU 139 N 1.45 0.64 -1.28 2.45 6.46 -1.92 -1.14 115.31 121.97 1ni9 h LEU 139 Ca -0.49 0.08 0.17 0.00 -0.12 0.00 0.00 57.88 57.51 1ni9 h LEU 139 Cb 1.31 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 41.13 1ni9 h LEU 139 CO 0.57 0.29 0.59 0.00 -0.62 0.00 0.00 178.44 179.27 1ni9 h ALA 140 N 1.55 1.89 -0.05 1.25 0.00 -1.98 0.23 119.26 122.14 1ni9 h ALA 140 Ca 0.47 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1ni9 h ALA 140 Cb 0.61 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ni9 h ALA 140 CO -0.33 -0.16 -0.47 -0.44 0.00 0.00 0.00 179.25 177.85 1ni9 h ASP 141 N 0.65 0.49 -0.69 0.00 5.19 -1.59 -2.48 116.42 117.99 1ni9 h ASP 141 Ca 0.48 -0.70 0.11 0.00 -0.62 0.00 0.00 57.03 56.30 1ni9 h ASP 141 Cb 0.86 -0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.14 1ni9 h ASP 141 CO -0.23 1.12 0.30 0.78 -3.12 0.00 0.00 179.24 178.08 1ni9 h ASN 142 N -0.09 0.34 -0.54 6.45 2.35 -0.35 -1.13 115.58 122.61 1ni9 h ASN 142 Ca -0.04 0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1ni9 h ASN 142 Cb 1.15 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1ni9 h ASN 142 CO 0.09 0.18 0.07 -0.07 -1.65 0.00 0.00 177.43 176.05 1ni9 h LEU 143 N 0.50 0.91 -0.72 1.61 3.38 -1.00 -1.10 115.31 118.89 1ni9 h LEU 143 Ca 0.36 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ni9 h LEU 143 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ni9 h LEU 143 CO -0.32 0.93 0.05 0.03 0.09 0.00 0.00 178.44 179.22 1ni9 h ARG 144 N 0.90 1.03 -0.57 1.13 3.08 -1.05 -1.72 114.38 117.18 1ni9 h ARG 144 Ca 0.18 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1ni9 h ARG 144 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1ni9 h ARG 144 CO 0.01 0.98 0.12 -0.91 -1.07 0.00 0.00 179.97 179.11 1ni9 h ASN 145 N 0.96 0.88 -0.00 7.04 2.35 -0.58 -1.50 115.58 124.72 1ni9 h ASN 145 Ca 0.18 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ni9 h ASN 145 Cb 0.49 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1ni9 h ASN 145 CO 0.02 0.89 -0.00 0.58 -1.65 0.00 0.00 177.43 177.27 1ni9 h VAL 146 N 0.82 1.27 -0.40 2.81 2.07 -1.18 -1.86 116.25 119.78 1ni9 h VAL 146 Ca 0.18 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.98 1ni9 h VAL 146 Cb 0.37 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 1ni9 h VAL 146 CO 0.01 0.21 -0.15 0.00 0.02 0.00 0.00 177.57 177.65 1ni9 h ALA 147 N 0.66 0.18 -0.99 1.67 0.00 -1.17 -1.54 119.26 118.07 1ni9 h ALA 147 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ni9 h ALA 147 Cb 0.34 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1ni9 h ALA 147 CO 0.00 -0.51 0.64 0.00 0.00 0.00 0.00 179.25 179.39 1ni9 h ALA 148 N 1.28 1.27 -0.66 0.00 0.00 -1.20 -1.27 119.26 118.68 1ni9 h ALA 148 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ni9 h ALA 148 Cb 0.37 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ni9 h ALA 148 CO -0.45 0.66 0.37 0.00 0.00 0.00 0.00 179.25 179.83 1ni9 h ALA 149 N 1.37 1.40 -0.05 0.00 0.00 -1.00 -1.23 119.26 119.75 1ni9 h ALA 149 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ni9 h ALA 149 Cb -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.38 1ni9 h ALA 149 CO -0.08 0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.95 1ni9 n LEU 150 N -4.38 0.54 -0.83 0.00 4.77 -0.61 -4.87 117.00 111.63 1ni9 n LEU 150 Ca 0.07 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 1ni9 n LEU 150 Cb 0.09 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ni9 n LEU 150 CO 0.37 0.11 -0.09 0.61 -1.33 0.00 0.00 177.39 177.07 1ni9 n GLY 151 N 0.92 0.09 3.10 -0.72 0.00 -0.46 -5.03 105.19 103.07 1ni9 n GLY 151 Ca 0.15 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1ni9 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ni9 s LYS 152 N -4.38 0.63 0.51 1.61 -2.85 -0.53 -5.02 119.74 109.70 1ni9 s LYS 152 Ca 0.01 -1.11 -0.22 0.00 -1.00 0.00 0.00 55.97 53.65 1ni9 s LYS 152 Cb -0.00 -0.00 -0.06 0.00 -2.06 0.00 0.00 37.83 35.70 1ni9 s LYS 152 CO 0.01 -0.05 1.21 -2.14 0.10 0.00 0.00 175.35 174.47 1ni9 s PRO 153 N -3.22 3.46 0.36 1.78 0.02 -1.26 -3.85 135.00 132.29 1ni9 s PRO 153 Ca 0.03 1.86 0.15 0.00 0.02 0.00 0.00 61.00 63.07 1ni9 s PRO 153 Cb 0.02 -2.26 1.06 0.00 0.02 0.00 0.00 34.50 33.35 1ni9 s PRO 153 CO -0.06 -0.82 1.71 1.25 -0.33 0.00 0.00 177.00 178.75 1ni9 h LEU 154 N 1.65 0.52 -2.70 -5.54 5.85 -1.93 -1.41 115.31 111.76 1ni9 h LEU 154 Ca -0.50 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1ni9 h LEU 154 Cb 1.27 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 1ni9 h LEU 154 CO 0.58 -0.01 -0.01 0.77 -0.34 0.00 0.00 178.44 179.44 1ni9 h SER 155 N 0.40 0.00 -0.01 1.25 4.64 -1.91 -1.55 113.55 116.38 1ni9 h SER 155 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1ni9 h SER 155 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1ni9 h SER 155 CO -0.47 0.01 -0.44 -0.62 -0.87 0.00 0.00 176.83 174.44 1ni9 n GLU 156 N -3.29 1.27 -2.57 4.77 1.02 -0.54 -4.85 120.64 116.45 1ni9 n GLU 156 Ca -0.03 -1.05 -0.40 0.00 -0.02 0.00 0.00 57.16 55.67 1ni9 n GLU 156 Cb 0.10 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 1ni9 n GLU 156 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ni9 s LEU 157 N -2.45 4.58 -0.09 -4.62 2.96 -0.58 -5.00 118.68 113.47 1ni9 s LEU 157 Ca 0.19 2.15 0.03 0.00 -0.22 0.00 0.00 54.13 56.28 1ni9 s LEU 157 Cb 0.18 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1ni9 s LEU 157 CO 0.55 -0.05 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.48 1ni9 s THR 158 N -1.18 1.56 -0.21 3.68 2.01 -1.26 -3.60 115.64 116.64 1ni9 s THR 158 Ca 0.44 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.56 1ni9 s THR 158 Cb -0.30 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1ni9 s THR 158 CO 0.38 0.45 0.45 -0.69 -0.69 0.00 0.00 174.62 174.51 1ni9 s VAL 159 N 0.71 5.16 -0.10 3.82 1.01 -0.07 -3.81 120.40 127.11 1ni9 s VAL 159 Ca -0.12 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 1ni9 s VAL 159 Cb -0.16 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1ni9 s VAL 159 CO 0.03 0.21 0.33 -0.89 0.00 0.00 0.00 175.10 174.77 1ni9 s THR 160 N 1.53 5.24 0.25 3.92 2.01 0.08 -0.90 115.64 127.77 1ni9 s THR 160 Ca 0.21 0.64 0.04 0.00 0.31 0.00 0.00 61.69 62.88 1ni9 s THR 160 Cb -0.15 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1ni9 s THR 160 CO 0.09 0.47 -0.00 0.27 -0.69 0.00 0.00 174.62 174.75 1ni9 s ILE 161 N -0.15 1.16 0.36 1.82 -4.36 -0.29 -1.82 121.20 117.91 1ni9 s ILE 161 Ca 0.19 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1ni9 s ILE 161 Cb -0.14 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 1ni9 s ILE 161 CO 0.07 -0.27 0.63 -0.76 0.24 0.00 0.00 174.94 174.85 1ni9 s LEU 162 N -3.35 3.93 -0.32 0.37 1.43 -1.26 -0.85 118.68 118.63 1ni9 s LEU 162 Ca 0.30 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 53.97 1ni9 s LEU 162 Cb 0.06 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1ni9 s LEU 162 CO 0.10 -0.32 0.65 0.00 0.23 0.00 0.00 176.35 177.01 1ni9 s ALA 163 N -2.30 3.51 0.00 4.21 0.00 -0.98 -4.75 121.76 121.46 1ni9 s ALA 163 Ca 0.45 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1ni9 s ALA 163 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1ni9 s ALA 163 CO 0.34 -1.14 0.00 1.63 0.00 0.00 0.00 175.76 176.59 1ni9 n LYS 164 N 5.96 0.00 0.00 0.00 5.02 -1.26 -4.96 118.16 122.91 1ni9 n LYS 164 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ni9 n LYS 164 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1ni9 n LYS 164 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1ni9 n HIS 167 N -1.35 0.00 0.10 2.13 -0.00 -1.26 -5.22 115.22 109.62 1ni9 n HIS 167 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 1ni9 n HIS 167 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1ni9 n HIS 167 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1ni9 h ASP 168 N 0.00 0.00 0.44 0.26 5.19 -1.99 -2.49 116.42 117.83 1ni9 h ASP 168 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1ni9 h ASP 168 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1ni9 h ASP 168 CO 0.00 0.70 -0.56 0.00 -3.12 0.00 0.00 179.24 176.27 1ni9 h ALA 169 N 1.30 0.99 -0.34 3.45 0.00 -2.04 -2.72 119.26 119.89 1ni9 h ALA 169 Ca -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1ni9 h ALA 169 Cb 1.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1ni9 h ALA 169 CO 0.09 0.70 0.04 0.28 0.00 0.00 0.00 179.25 180.36 1ni9 h VAL 170 N 0.09 1.24 -0.74 0.00 2.07 -1.98 -2.57 116.25 114.36 1ni9 h VAL 170 Ca -0.00 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1ni9 h VAL 170 Cb 1.01 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1ni9 h VAL 170 CO 0.08 0.29 0.35 0.40 0.02 0.00 0.00 177.57 178.71 1ni9 h ILE 171 N 0.41 1.24 -0.37 4.57 2.04 -1.42 -1.82 117.51 122.16 1ni9 h ILE 171 Ca 0.10 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 1ni9 h ILE 171 Cb 0.38 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1ni9 h ILE 171 CO 0.01 0.28 -0.21 0.00 0.00 0.00 0.00 178.15 178.23 1ni9 h ALA 172 N 1.33 0.93 -0.48 1.87 0.00 -1.43 -0.18 119.26 121.31 1ni9 h ALA 172 Ca 0.26 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1ni9 h ALA 172 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ni9 h ALA 172 CO -0.03 0.61 -0.17 1.49 0.00 0.00 0.00 179.25 181.15 1ni9 h GLU 173 N 0.63 0.95 -0.18 0.00 4.57 -0.96 0.67 114.58 120.27 1ni9 h GLU 173 Ca 0.09 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.76 1ni9 h GLU 173 Cb 0.70 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1ni9 h GLU 173 CO 0.05 1.06 -0.40 0.52 -1.18 0.00 0.00 179.01 179.06 1ni9 h MET 174 N 0.80 0.41 0.50 1.92 2.86 -1.17 -1.08 114.93 119.17 1ni9 h MET 174 Ca 0.11 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1ni9 h MET 174 Cb 0.74 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1ni9 h MET 174 CO 0.06 0.75 -0.25 0.37 1.06 0.00 0.00 176.91 178.89 1ni9 h GLN 175 N 0.34 -0.66 -0.94 1.72 5.75 -0.82 -2.00 115.11 118.51 1ni9 h GLN 175 Ca 0.03 0.04 0.21 0.00 -0.15 0.00 0.00 58.65 58.79 1ni9 h GLN 175 Cb 0.85 0.15 -0.08 0.00 1.07 0.00 0.00 27.48 29.48 1ni9 h GLN 175 CO 0.07 -0.44 0.61 0.37 -2.65 0.00 0.00 178.83 176.79 1ni9 h GLN 176 N -0.68 0.45 0.00 1.69 5.75 -0.57 0.11 115.11 121.86 1ni9 h GLN 176 Ca -0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1ni9 h GLN 176 Cb 0.53 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1ni9 h GLN 176 CO 0.10 0.30 0.00 1.28 -2.65 0.00 0.00 178.83 177.86 1ni9 n LEU 177 N -4.56 0.00 -0.80 -2.39 4.77 -0.44 -4.91 117.00 108.67 1ni9 n LEU 177 Ca 0.21 0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 56.57 1ni9 n LEU 177 Cb 0.70 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1ni9 n LEU 177 CO 0.29 -0.02 -0.09 0.61 -1.33 0.00 0.00 177.39 176.84 1ni9 n GLY 178 N 1.30 0.15 3.38 -0.72 0.00 0.03 -5.04 105.19 104.29 1ni9 n GLY 178 Ca 0.08 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1ni9 n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni9 s VAL 179 N -2.35 2.38 0.52 1.61 0.11 -0.89 -4.88 120.40 116.90 1ni9 s VAL 179 Ca 0.00 -1.18 -0.22 0.00 -2.93 0.00 0.00 61.98 57.65 1ni9 s VAL 179 Cb 0.00 -1.91 -0.06 0.00 -1.53 0.00 0.00 36.38 32.87 1ni9 s VAL 179 CO 0.00 0.45 1.27 0.54 -3.33 0.00 0.00 175.10 174.03 1ni9 n ARG 180 N 1.99 1.62 -4.38 1.54 1.74 -1.24 -4.49 116.66 113.44 1ni9 n ARG 180 Ca -0.16 0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 57.32 1ni9 n ARG 180 Cb 0.52 -2.45 -0.15 0.00 -1.02 0.00 0.00 32.46 29.36 1ni9 n ARG 180 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ni9 s VAL 181 N -1.30 0.75 -0.06 1.55 1.01 -1.26 -0.89 120.40 120.19 1ni9 s VAL 181 Ca 0.69 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1ni9 s VAL 181 Cb -0.44 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ni9 s VAL 181 CO 0.51 0.20 -0.01 0.12 0.00 0.00 0.00 175.10 175.92 1ni9 s PHE 182 N -0.25 0.64 -0.13 5.22 5.36 -0.08 -4.91 117.98 123.83 1ni9 s PHE 182 Ca 0.03 -0.15 -0.16 0.00 -0.96 0.00 0.00 56.93 55.70 1ni9 s PHE 182 Cb -0.04 -0.71 -0.05 0.00 -0.34 0.00 0.00 43.02 41.89 1ni9 s PHE 182 CO -0.00 -0.26 0.38 0.00 -1.46 0.00 0.00 175.22 173.87 1ni9 s ALA 183 N 1.57 3.56 0.15 11.12 0.00 -1.26 -1.14 121.76 135.75 1ni9 s ALA 183 Ca -0.01 -0.33 0.10 0.00 0.00 0.00 0.00 51.96 51.72 1ni9 s ALA 183 Cb -0.13 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ni9 s ALA 183 CO -0.03 0.10 -0.19 0.96 0.00 0.00 0.00 175.76 176.60 1ni9 s ILE 184 N 0.34 2.71 -2.01 0.00 -4.36 -0.03 -4.91 121.20 112.94 1ni9 s ILE 184 Ca 0.21 -1.70 0.10 0.00 -0.26 0.00 0.00 60.65 59.01 1ni9 s ILE 184 Cb -0.14 -2.27 0.28 0.00 1.25 0.00 0.00 42.46 41.58 1ni9 s ILE 184 CO 0.07 0.01 1.37 -0.81 0.24 0.00 0.00 174.94 175.82 1ni9 n PRO 185 N 0.55 1.08 -2.78 0.37 -0.04 -1.26 -2.32 135.00 130.60 1ni9 n PRO 185 Ca -0.14 -0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 1ni9 n PRO 185 Cb 0.54 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1ni9 n PRO 185 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ni9 s ASP 186 N -1.29 6.49 1.13 3.54 1.01 -1.26 -4.33 116.67 121.95 1ni9 s ASP 186 Ca 0.16 1.15 -0.18 0.00 0.71 0.00 0.00 52.55 54.38 1ni9 s ASP 186 Cb 0.07 -2.33 0.26 0.00 1.01 0.00 0.00 42.92 41.93 1ni9 s ASP 186 CO 0.12 -0.44 1.17 -0.83 0.21 0.00 0.00 175.17 175.39 1ni9 s GLY 187 N -3.28 1.63 0.10 0.21 0.00 -1.26 -4.67 107.32 100.06 1ni9 s GLY 187 Ca 0.51 -1.00 -0.31 0.00 0.00 0.00 0.00 44.72 43.93 1ni9 s GLY 187 CO 0.33 -0.15 1.62 -0.55 0.00 0.00 0.00 173.10 174.35 1ni9 h ASP 188 N -2.30 -0.92 -0.63 1.64 3.32 -1.98 0.15 116.42 115.69 1ni9 h ASP 188 Ca -0.45 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1ni9 h ASP 188 Cb 1.28 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 41.11 1ni9 h ASP 188 CO 0.36 -0.48 0.23 0.58 -1.72 0.00 0.00 179.24 178.21 1ni9 h VAL 189 N -0.71 1.24 -0.44 -1.35 2.07 -1.95 -0.08 116.25 115.04 1ni9 h VAL 189 Ca -0.02 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1ni9 h VAL 189 Cb 0.64 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ni9 h VAL 189 CO -0.06 0.30 -0.10 0.00 0.02 0.00 0.00 177.57 177.73 1ni9 h ALA 190 N 1.09 1.01 -0.17 1.67 0.00 -1.93 0.16 119.26 121.08 1ni9 h ALA 190 Ca 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1ni9 h ALA 190 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ni9 h ALA 190 CO -0.01 0.60 -0.17 0.00 0.00 0.00 0.00 179.25 179.66 1ni9 h ALA 191 N 1.18 0.26 -0.54 0.00 0.00 -0.59 0.19 119.26 119.76 1ni9 h ALA 191 Ca 0.12 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ni9 h ALA 191 Cb 0.57 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1ni9 h ALA 191 CO 0.04 0.16 0.16 0.77 0.00 0.00 0.00 179.25 180.37 1ni9 h SER 192 N 0.08 0.11 -0.33 0.00 0.02 -0.94 -0.23 113.55 112.25 1ni9 h SER 192 Ca 0.03 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1ni9 h SER 192 Cb 0.70 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1ni9 h SER 192 CO 0.04 0.08 0.17 0.40 -1.14 0.00 0.00 176.83 176.38 1ni9 h ILE 193 N 0.31 1.15 -0.67 3.27 2.04 -0.53 -2.55 117.51 120.54 1ni9 h ILE 193 Ca 0.27 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.80 1ni9 h ILE 193 Cb 0.35 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1ni9 h ILE 193 CO -0.31 0.16 0.44 -0.07 0.00 0.00 0.00 178.15 178.37 1ni9 h LEU 194 N 0.40 0.50 -0.91 1.44 3.38 -0.24 -1.84 115.31 118.04 1ni9 h LEU 194 Ca 0.11 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1ni9 h LEU 194 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ni9 h LEU 194 CO -0.02 0.30 -0.29 0.74 0.09 0.00 0.00 178.44 179.27 1ni9 h THR 195 N 0.56 1.27 -0.01 0.22 2.02 -0.66 -3.32 112.91 112.99 1ni9 h THR 195 Ca 0.30 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1ni9 h THR 195 Cb 0.45 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1ni9 h THR 195 CO -0.10 0.42 -0.50 0.00 0.37 0.00 0.00 175.52 175.71 1ni9 n MET 197 N -0.26 1.06 -2.15 0.00 2.00 -0.75 -4.58 117.12 112.44 1ni9 n MET 197 Ca 0.08 0.42 -0.41 0.00 0.00 0.00 0.00 57.70 57.79 1ni9 n MET 197 Cb 0.41 -2.48 -0.02 0.00 0.00 0.00 0.00 33.22 31.12 1ni9 n MET 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1ni9 s PRO 198 N -3.31 4.38 -1.39 0.03 0.04 -1.26 -2.16 135.00 131.33 1ni9 s PRO 198 Ca 0.82 2.16 -0.00 0.00 0.04 0.00 0.00 61.00 64.02 1ni9 s PRO 198 Cb -0.38 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1ni9 s PRO 198 CO 0.41 -0.18 0.02 -0.25 0.04 0.00 0.00 177.00 177.03 1ni9 n ASP 199 N 1.26 -4.85 -4.74 6.66 8.00 -1.26 -4.97 116.55 116.65 1ni9 n ASP 199 Ca 0.01 -0.02 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 1ni9 n ASP 199 Cb 0.42 -3.96 0.05 0.00 -0.02 0.00 0.00 41.12 37.62 1ni9 n ASP 199 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ni9 s SER 200 N -2.28 4.89 0.00 -2.24 0.15 -0.92 -4.93 113.70 108.37 1ni9 s SER 200 Ca 0.01 2.60 0.25 0.00 0.70 0.00 0.00 55.95 59.50 1ni9 s SER 200 Cb -0.00 -2.62 0.49 0.00 -1.71 0.00 0.00 66.02 62.18 1ni9 s SER 200 CO 0.01 -1.81 1.43 -0.62 1.20 0.00 0.00 173.24 173.45 1ni9 n GLU 201 N -1.63 2.14 -3.03 5.44 1.02 -1.26 -4.90 120.64 118.41 1ni9 n GLU 201 Ca 0.14 -1.67 -0.38 0.00 -0.02 0.00 0.00 57.16 55.23 1ni9 n GLU 201 Cb 0.48 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 1ni9 n GLU 201 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ni9 s VAL 202 N -1.90 4.45 -0.25 2.62 1.01 -1.26 -4.98 120.40 120.08 1ni9 s VAL 202 Ca 0.33 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.73 1ni9 s VAL 202 Cb 0.20 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 1ni9 s VAL 202 CO 0.31 0.44 -0.17 0.47 0.00 0.00 0.00 175.10 176.15 1ni9 n ASP 203 N 1.37 1.95 -3.62 3.32 8.00 -1.26 -4.89 116.55 121.42 1ni9 n ASP 203 Ca -0.05 0.29 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 1ni9 n ASP 203 Cb 0.49 -0.81 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1ni9 n ASP 203 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ni9 s VAL 204 N -2.48 0.02 -0.05 2.53 0.11 -1.25 -4.60 120.40 114.69 1ni9 s VAL 204 Ca -0.35 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1ni9 s VAL 204 Cb 0.12 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1ni9 s VAL 204 CO 0.54 -0.11 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.80 1ni9 s LEU 205 N -1.25 1.95 -0.02 2.54 2.96 0.34 -0.74 118.68 124.45 1ni9 s LEU 205 Ca -0.12 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1ni9 s LEU 205 Cb -0.02 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.61 1ni9 s LEU 205 CO 0.08 0.17 0.09 -0.47 -1.32 0.00 0.00 176.35 174.90 1ni9 s TYR 206 N 0.01 -0.05 0.00 5.38 5.04 -0.76 -0.95 117.35 126.03 1ni9 s TYR 206 Ca -0.04 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1ni9 s TYR 206 Cb -0.12 -0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1ni9 s TYR 206 CO 0.03 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.55 1ni9 n GLY 207 N 2.65 -1.02 2.89 8.97 0.00 -0.78 -4.50 105.19 113.39 1ni9 n GLY 207 Ca -0.15 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 1ni9 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ni9 s ILE 208 N -2.00 0.68 0.00 -0.61 1.01 -1.26 0.77 121.20 119.79 1ni9 s ILE 208 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1ni9 s ILE 208 Cb 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1ni9 s ILE 208 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1ni9 n GLY 209 N 4.43 2.08 3.77 6.18 0.00 -0.62 -4.94 105.19 116.09 1ni9 n GLY 209 Ca -0.18 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 1ni9 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ni9 s GLY 210 N -0.89 2.83 0.06 -0.02 0.00 -1.26 0.35 107.32 108.38 1ni9 s GLY 210 Ca 0.00 0.88 -0.19 0.00 0.00 0.00 0.00 44.72 45.41 1ni9 s GLY 210 CO 0.00 1.37 1.42 0.00 0.00 0.00 0.00 173.10 175.88 1ni9 h ALA 211 N 2.57 0.27 -0.86 3.20 0.00 -0.98 -2.00 119.26 121.45 1ni9 h ALA 211 Ca -0.49 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.26 1ni9 h ALA 211 Cb 1.23 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1ni9 h ALA 211 CO 0.62 0.09 0.48 -1.35 0.00 0.00 0.00 179.25 179.10 1ni9 h PRO 212 N 0.09 0.73 -0.07 0.00 0.11 -1.80 -0.03 132.00 131.02 1ni9 h PRO 212 Ca 0.04 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1ni9 h PRO 212 Cb 0.58 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1ni9 h PRO 212 CO 0.03 0.48 -0.33 1.49 -0.21 0.00 0.00 178.00 179.46 1ni9 h GLU 213 N 0.75 0.14 -0.58 1.05 4.57 -1.93 -1.96 114.58 116.63 1ni9 h GLU 213 Ca 0.44 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.53 1ni9 h GLU 213 Cb 0.50 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1ni9 h GLU 213 CO -0.30 0.46 0.20 0.78 -1.18 0.00 0.00 179.01 178.97 1ni9 h GLY 214 N 1.06 0.94 1.15 1.92 0.00 -0.28 -1.34 103.07 106.53 1ni9 h GLY 214 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ni9 h GLY 214 CO 0.05 0.51 0.50 -2.08 0.00 0.00 0.00 176.54 175.51 1ni9 h VAL 215 N 0.80 1.23 -0.24 4.60 2.07 -0.68 0.70 116.25 124.73 1ni9 h VAL 215 Ca 0.19 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ni9 h VAL 215 Cb 0.25 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1ni9 h VAL 215 CO -0.01 0.24 0.05 0.58 0.02 0.00 0.00 177.57 178.45 1ni9 h VAL 216 N 1.15 1.22 -0.45 2.57 2.07 -1.00 -1.43 116.25 120.38 1ni9 h VAL 216 Ca 0.30 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1ni9 h VAL 216 Cb -0.04 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1ni9 h VAL 216 CO -0.06 0.23 0.27 0.28 0.02 0.00 0.00 177.57 178.32 1ni9 h SER 217 N 0.21 0.45 -0.94 0.57 0.02 -0.84 -2.14 113.55 110.89 1ni9 h SER 217 Ca 0.08 -0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.14 1ni9 h SER 217 Cb 0.30 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.67 1ni9 h SER 217 CO 0.00 0.32 0.57 0.00 -1.14 0.00 0.00 176.83 176.58 1ni9 h ALA 218 N 1.19 1.39 -0.71 3.77 0.00 -0.59 0.24 119.26 124.55 1ni9 h ALA 218 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ni9 h ALA 218 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ni9 h ALA 218 CO -0.07 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.67 1ni9 h ALA 219 N 1.51 0.91 -0.01 0.00 0.00 -0.62 0.09 119.26 121.15 1ni9 h ALA 219 Ca 0.46 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1ni9 h ALA 219 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ni9 h ALA 219 CO -0.27 0.49 -0.75 -0.24 0.00 0.00 0.00 179.25 178.48 1ni9 h VAL 220 N 0.99 1.51 -0.31 0.00 3.04 -0.97 -2.39 116.25 118.13 1ni9 h VAL 220 Ca 0.24 -2.50 -0.07 0.00 -1.01 0.00 0.00 66.70 63.36 1ni9 h VAL 220 Cb 0.14 2.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 1ni9 h VAL 220 CO -0.03 0.72 -0.09 0.40 -1.01 0.00 0.00 177.57 177.56 1ni9 h ILE 221 N 0.04 1.28 -0.63 3.17 2.04 -0.68 -1.38 117.51 121.34 1ni9 h ILE 221 Ca -0.01 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1ni9 h ILE 221 Cb 1.33 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1ni9 h ILE 221 CO 0.10 0.37 0.41 -0.09 0.00 0.00 0.00 178.15 178.94 1ni9 h ARG 222 N 0.37 0.84 -0.67 2.37 2.43 -0.99 0.13 114.38 118.86 1ni9 h ARG 222 Ca 0.08 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1ni9 h ARG 222 Cb 0.59 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1ni9 h ARG 222 CO 0.03 0.57 0.45 0.00 -1.51 0.00 0.00 179.97 179.51 1ni9 h ALA 223 N 1.22 1.91 -0.35 2.80 0.00 -1.25 -2.04 119.26 121.55 1ni9 h ALA 223 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ni9 h ALA 223 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ni9 h ALA 223 CO -0.05 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1ni9 n LEU 224 N -4.48 3.32 -2.08 0.00 4.77 -0.54 -4.38 117.00 113.61 1ni9 n LEU 224 Ca 0.11 -1.40 -0.18 0.00 -0.03 0.00 0.00 56.01 54.51 1ni9 n LEU 224 Cb 0.35 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ni9 n LEU 224 CO 0.33 0.70 -0.19 -0.67 -1.33 0.00 0.00 177.39 176.23 1ni9 n ASP 225 N 1.41 -5.18 -2.14 -1.43 2.03 -0.21 -4.72 116.55 106.31 1ni9 n ASP 225 Ca 0.19 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1ni9 n ASP 225 Cb 0.59 -4.23 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 1ni9 n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ni9 n GLY 226 N -1.07 0.59 3.20 0.27 0.00 -0.14 -3.65 105.19 104.38 1ni9 n GLY 226 Ca -0.19 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1ni9 n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ni9 s ASP 227 N -1.00 0.00 -0.17 1.61 -1.08 -0.17 -4.68 116.67 111.19 1ni9 s ASP 227 Ca 0.00 -0.34 -0.23 0.00 -0.52 0.00 0.00 52.55 51.46 1ni9 s ASP 227 Cb 0.00 0.30 0.06 0.00 -1.46 0.00 0.00 42.92 41.82 1ni9 s ASP 227 CO 0.00 -0.57 0.59 -0.32 0.52 0.00 0.00 175.17 175.39 1ni9 s MET 228 N -2.60 0.78 0.20 4.34 -2.45 -1.26 -0.94 119.30 117.36 1ni9 s MET 228 Ca -0.05 0.60 0.11 0.00 -1.25 0.00 0.00 55.69 55.11 1ni9 s MET 228 Cb -0.01 0.37 -0.04 0.00 1.25 0.00 0.00 34.83 36.40 1ni9 s MET 228 CO -0.04 -0.15 -0.23 -0.80 1.05 0.00 0.00 175.02 174.85 1ni9 s ASN 229 N -0.19 3.32 0.01 1.11 0.02 -0.75 -1.79 114.94 116.67 1ni9 s ASN 229 Ca -0.04 -0.88 0.04 0.00 -1.02 0.00 0.00 52.86 50.96 1ni9 s ASN 229 Cb -0.03 -0.24 -0.01 0.00 0.02 0.00 0.00 41.25 40.98 1ni9 s ASN 229 CO 0.03 0.09 -0.13 -0.83 0.02 0.00 0.00 177.10 176.28 1ni9 s GLY 230 N -2.74 0.69 -0.22 0.66 0.00 0.05 -2.03 107.32 103.72 1ni9 s GLY 230 Ca 0.21 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.28 1ni9 s GLY 230 CO 0.10 -0.58 -0.13 -1.60 0.00 0.00 0.00 173.10 170.88 1ni9 s ARG 231 N -0.60 2.72 0.24 2.90 3.52 0.02 0.47 118.95 128.21 1ni9 s ARG 231 Ca 0.04 -1.03 -0.30 0.00 -0.13 0.00 0.00 55.73 54.30 1ni9 s ARG 231 Cb -0.06 -2.79 -0.10 0.00 -1.56 0.00 0.00 34.95 30.44 1ni9 s ARG 231 CO 0.00 -0.37 1.52 -0.51 -0.81 0.00 0.00 175.30 175.12 1ni9 s LEU 232 N 1.24 4.37 -0.13 -0.88 1.43 -1.24 -0.10 118.68 123.38 1ni9 s LEU 232 Ca -0.01 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1ni9 s LEU 232 Cb -0.16 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1ni9 s LEU 232 CO -0.08 -0.79 -0.12 -0.76 0.23 0.00 0.00 176.35 174.83 1ni9 s LEU 233 N -0.05 1.50 0.00 1.79 1.43 -0.89 -1.44 118.68 121.02 1ni9 s LEU 233 Ca 0.63 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1ni9 s LEU 233 Cb -0.44 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1ni9 s LEU 233 CO 0.42 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.92 1ni9 n ALA 234 N 4.78 0.00 -0.57 4.21 0.00 -1.26 -3.42 120.51 124.25 1ni9 n ALA 234 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1ni9 n ALA 234 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1ni9 n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni9 n GLY 260 N 5.00 -0.18 1.99 0.00 0.00 -1.26 -5.04 105.19 105.70 1ni9 n GLY 260 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ni9 n GLY 260 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ni9 n ILE 261 N 2.11 0.01 0.00 -0.61 5.41 -1.26 -5.06 119.36 119.97 1ni9 n ILE 261 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1ni9 n ILE 261 Cb 0.06 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 1ni9 n ILE 261 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1ni9 n GLU 262 N -3.39 0.00 -1.71 0.38 0.28 -1.26 -5.12 120.64 109.82 1ni9 n GLU 262 Ca 0.00 0.00 -0.59 0.00 -0.16 0.00 0.00 57.16 56.41 1ni9 n GLU 262 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 1ni9 n GLU 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ni9 n ALA 263 N -0.62 -0.32 0.00 -1.84 0.00 -1.26 -2.63 120.51 113.84 1ni9 n ALA 263 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ni9 n ALA 263 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1ni9 n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni9 n GLY 264 N 4.24 3.39 3.69 0.00 0.00 -0.52 -4.93 105.19 111.07 1ni9 n GLY 264 Ca 0.28 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1ni9 n GLY 264 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ni9 n LYS 265 N 0.00 2.13 -3.17 1.61 2.85 -1.08 -4.79 118.16 115.71 1ni9 n LYS 265 Ca 0.00 0.75 -0.39 0.00 -1.05 0.00 0.00 58.31 57.62 1ni9 n LYS 265 Cb 0.00 -2.35 -0.06 0.00 -0.65 0.00 0.00 35.03 31.97 1ni9 n LYS 265 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ni9 s VAL 266 N -0.85 5.09 -0.25 0.58 1.01 -1.26 -3.59 120.40 121.13 1ni9 s VAL 266 Ca 0.58 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 1ni9 s VAL 266 Cb -0.58 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1ni9 s VAL 266 CO 0.59 0.24 0.22 -0.76 0.00 0.00 0.00 175.10 175.39 1ni9 s LEU 267 N 1.07 4.08 0.83 3.92 1.43 0.18 -4.96 118.68 125.22 1ni9 s LEU 267 Ca 0.31 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 1ni9 s LEU 267 Cb -0.16 -2.18 0.09 0.00 0.03 0.00 0.00 46.19 43.96 1ni9 s LEU 267 CO 0.13 -0.02 1.11 -0.13 0.23 0.00 0.00 176.35 177.67 1ni9 s ARG 268 N 1.44 1.84 0.17 1.70 1.81 -1.26 -0.77 118.95 123.88 1ni9 s ARG 268 Ca 0.09 0.55 -0.22 0.00 -1.72 0.00 0.00 55.73 54.44 1ni9 s ARG 268 Cb -0.15 -1.90 0.07 0.00 -0.45 0.00 0.00 34.95 32.53 1ni9 s ARG 268 CO 0.08 -1.77 1.61 1.25 -0.68 0.00 0.00 175.30 175.78 1ni9 h LEU 269 N -1.20 -0.97 -0.40 2.53 5.85 -1.74 -1.06 115.31 118.32 1ni9 h LEU 269 Ca -0.48 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1ni9 h LEU 269 Cb 1.28 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1ni9 h LEU 269 CO 0.60 -0.30 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 1ni9 n GLY 270 N -1.41 -1.17 0.12 3.75 0.00 -1.26 -0.47 105.19 104.75 1ni9 n GLY 270 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ni9 n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ni9 h ASP 271 N 0.00 0.00 0.01 1.61 3.32 -1.55 -3.36 116.42 116.44 1ni9 h ASP 271 Ca 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1ni9 h ASP 271 Cb 0.32 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1ni9 h ASP 271 CO 0.00 0.64 -2.34 0.23 -1.72 0.00 0.00 179.24 176.06 1ni9 n MET 272 N -3.27 0.60 -3.34 3.56 2.81 -0.81 -4.57 117.12 112.11 1ni9 n MET 272 Ca 0.01 0.29 -0.46 0.00 -1.81 0.00 0.00 57.70 55.73 1ni9 n MET 272 Cb 0.79 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.71 1ni9 n MET 272 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ni9 s ALA 273 N -2.49 3.72 -2.66 3.04 0.00 0.38 -1.72 121.76 122.03 1ni9 s ALA 273 Ca -0.36 -2.72 0.26 0.00 0.00 0.00 0.00 51.96 49.14 1ni9 s ALA 273 Cb 0.12 -3.28 0.68 0.00 0.00 0.00 0.00 23.12 20.64 1ni9 s ALA 273 CO 0.54 -2.07 1.53 0.54 0.00 0.00 0.00 175.76 176.30 1ni9 n ARG 274 N 4.93 1.96 -3.80 0.00 1.74 0.97 -4.12 116.66 118.34 1ni9 n ARG 274 Ca -0.07 -1.40 -0.13 0.00 -0.77 0.00 0.00 57.85 55.48 1ni9 n ARG 274 Cb 0.42 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 1ni9 n ARG 274 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ni9 s SER 275 N -1.94 -0.17 0.15 0.55 0.15 -1.26 -4.91 113.70 106.28 1ni9 s SER 275 Ca 0.34 0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1ni9 s SER 275 Cb 0.20 0.38 0.89 0.00 -1.71 0.00 0.00 66.02 65.78 1ni9 s SER 275 CO 0.32 -0.29 1.69 0.47 1.20 0.00 0.00 173.24 176.63 1ni9 n ASP 276 N 1.97 0.44 -3.96 5.45 8.00 -1.26 -4.55 116.55 122.64 1ni9 n ASP 276 Ca -0.18 0.58 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1ni9 n ASP 276 Cb 0.57 -0.69 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1ni9 n ASP 276 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ni9 n ASN 277 N -1.96 5.56 -4.29 -2.24 4.05 -1.26 -1.69 115.26 113.44 1ni9 n ASN 277 Ca 0.04 -3.20 -0.24 0.00 0.45 0.00 0.00 54.58 51.62 1ni9 n ASN 277 Cb 0.27 -1.41 -0.13 0.00 1.23 0.00 0.00 39.78 39.74 1ni9 n ASN 277 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1ni9 s VAL 278 N -0.66 1.74 -0.07 3.44 -7.23 -1.26 -2.29 120.40 114.07 1ni9 s VAL 278 Ca 0.37 -1.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1ni9 s VAL 278 Cb 0.07 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1ni9 s VAL 278 CO 0.04 -0.01 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.00 1ni9 s ILE 279 N -1.10 1.64 -0.11 -0.62 1.01 0.10 -1.09 121.20 121.03 1ni9 s ILE 279 Ca 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1ni9 s ILE 279 Cb -0.10 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1ni9 s ILE 279 CO 0.04 0.47 -0.12 -0.36 0.00 0.00 0.00 174.94 174.96 1ni9 s PHE 280 N 0.27 2.81 -0.06 3.97 0.40 -0.19 -1.08 117.98 124.10 1ni9 s PHE 280 Ca -0.11 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1ni9 s PHE 280 Cb -0.15 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1ni9 s PHE 280 CO 0.05 -0.06 -0.14 0.45 0.70 0.00 0.00 175.22 176.23 1ni9 s SER 281 N -0.01 1.85 -0.05 1.36 0.15 0.36 -0.81 113.70 116.54 1ni9 s SER 281 Ca -0.03 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 1ni9 s SER 281 Cb -0.14 -0.73 0.03 0.00 -1.71 0.00 0.00 66.02 63.47 1ni9 s SER 281 CO 0.04 0.07 0.03 0.00 1.20 0.00 0.00 173.24 174.58 1ni9 s ALA 282 N 0.44 0.40 -0.08 5.45 0.00 -0.71 -0.62 121.76 126.64 1ni9 s ALA 282 Ca -0.11 0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1ni9 s ALA 282 Cb -0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1ni9 s ALA 282 CO 0.03 -0.38 -0.17 0.99 0.00 0.00 0.00 175.76 176.24 1ni9 s THR 283 N 1.82 2.80 0.07 0.00 2.01 0.22 -0.24 115.64 122.32 1ni9 s THR 283 Ca 0.01 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 1ni9 s THR 283 Cb -0.12 -2.11 -0.07 0.00 0.01 0.00 0.00 72.50 70.21 1ni9 s THR 283 CO -0.03 0.57 1.48 -0.83 -0.69 0.00 0.00 174.62 175.11 1ni9 s GLY 284 N -0.26 1.79 -0.16 4.40 0.00 -0.52 -0.68 107.32 111.88 1ni9 s GLY 284 Ca 0.01 1.09 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 1ni9 s GLY 284 CO 0.03 2.56 -0.19 1.39 0.00 0.00 0.00 173.10 176.89 1ni9 n ILE 285 N 4.38 1.45 -4.13 0.90 5.41 -0.34 -3.70 119.36 123.33 1ni9 n ILE 285 Ca 0.13 0.15 -0.24 0.00 1.00 0.00 0.00 62.75 63.79 1ni9 n ILE 285 Cb 0.42 -2.33 -0.07 0.00 -0.71 0.00 0.00 39.64 36.95 1ni9 n ILE 285 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1ni9 s THR 286 N -2.43 2.47 0.25 1.39 -4.23 -1.14 -1.62 115.64 110.33 1ni9 s THR 286 Ca -0.21 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.28 1ni9 s THR 286 Cb 0.03 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.79 1ni9 s THR 286 CO 0.32 -0.05 1.58 -0.75 -0.54 0.00 0.00 174.62 175.18 1ni9 s LYS 287 N -3.88 4.17 0.20 3.99 2.20 -1.26 -3.50 119.74 121.65 1ni9 s LYS 287 Ca 0.40 2.49 0.02 0.00 -0.36 0.00 0.00 55.97 58.52 1ni9 s LYS 287 Cb 0.02 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1ni9 s LYS 287 CO 0.22 -0.61 0.22 0.41 -0.36 0.00 0.00 175.35 175.24 1ni9 n GLY 288 N 2.79 2.99 0.26 5.54 0.00 -0.63 -1.27 105.19 114.89 1ni9 n GLY 288 Ca 0.10 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.64 1ni9 n GLY 288 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ni9 h ASP 289 N 1.16 0.00 0.00 1.61 3.32 -1.95 -3.30 116.42 117.26 1ni9 h ASP 289 Ca -0.15 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.60 1ni9 h ASP 289 Cb 0.69 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 1ni9 h ASP 289 CO 0.20 0.00 -2.07 -0.11 -1.72 0.00 0.00 179.24 175.54 1ni9 n LEU 290 N -2.81 2.12 -4.13 1.55 7.94 -1.26 -5.06 117.00 115.36 1ni9 n LEU 290 Ca -0.01 0.08 -0.15 0.00 -1.11 0.00 0.00 56.01 54.82 1ni9 n LEU 290 Cb 0.14 -0.61 -0.11 0.00 0.53 0.00 0.00 43.42 43.37 1ni9 n LEU 290 CO 0.20 0.59 -0.42 -0.76 -1.11 0.00 0.00 177.39 175.88 1ni9 s LEU 291 N -6.61 2.31 0.58 -1.96 1.43 -1.24 -5.06 118.68 108.12 1ni9 s LEU 291 Ca -0.26 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.01 1ni9 s LEU 291 Cb 0.09 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1ni9 s LEU 291 CO 0.38 -0.18 1.14 -1.61 0.23 0.00 0.00 176.35 176.31 1ni9 s GLU 292 N -1.99 3.18 0.98 1.70 0.41 -1.26 -1.60 118.70 120.12 1ni9 s GLU 292 Ca -0.03 1.59 -0.15 0.00 -0.41 0.00 0.00 54.97 55.97 1ni9 s GLU 292 Cb -0.08 -1.98 0.19 0.00 -1.78 0.00 0.00 34.13 30.48 1ni9 s GLU 292 CO 0.01 -0.99 1.22 0.20 -0.49 0.00 0.00 175.26 175.21 1ni9 s GLY 293 N -1.92 1.67 0.18 -1.39 0.00 -1.23 -3.92 107.32 100.71 1ni9 s GLY 293 Ca 0.72 -0.94 -0.32 0.00 0.00 0.00 0.00 44.72 44.19 1ni9 s GLY 293 CO 0.31 -0.23 1.77 1.39 0.00 0.00 0.00 173.10 176.34 1ni9 n ILE 294 N -3.90 0.14 -5.08 0.90 5.41 -0.64 -4.74 119.36 111.45 1ni9 n ILE 294 Ca 0.12 -0.02 -0.29 0.00 1.00 0.00 0.00 62.75 63.55 1ni9 n ILE 294 Cb 0.60 -2.05 -0.16 0.00 -0.71 0.00 0.00 39.64 37.31 1ni9 n ILE 294 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1ni9 s SER 295 N 1.76 2.71 -0.09 4.38 1.04 -0.77 -4.95 113.70 117.78 1ni9 s SER 295 Ca 0.78 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1ni9 s SER 295 Cb -0.49 -0.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 1ni9 s SER 295 CO 0.34 0.19 -0.03 -0.60 0.98 0.00 0.00 173.24 174.13 1ni9 s ARG 296 N 0.01 2.96 -0.24 4.02 3.52 -1.26 -0.46 118.95 127.49 1ni9 s ARG 296 Ca -0.06 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 1ni9 s ARG 296 Cb -0.14 -2.73 0.08 0.00 -1.56 0.00 0.00 34.95 30.61 1ni9 s ARG 296 CO 0.04 0.65 0.12 0.21 -0.81 0.00 0.00 175.30 175.51 1ni9 s LYS 297 N -0.75 0.14 7.86 5.12 2.20 -0.59 -5.00 119.74 128.73 1ni9 s LYS 297 Ca 0.11 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1ni9 s LYS 297 Cb -0.11 -1.41 0.00 0.00 -1.51 0.00 0.00 37.83 34.79 1ni9 s LYS 297 CO 0.02 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1ni9 n GLY 298 N 5.26 3.54 1.53 5.54 0.00 -1.26 -1.52 105.19 118.28 1ni9 n GLY 298 Ca -0.06 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1ni9 n GLY 298 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ni9 n ASN 299 N 6.17 4.28 -4.33 1.61 0.23 -1.26 -4.88 115.26 117.08 1ni9 n ASN 299 Ca 0.00 -2.71 -0.35 0.00 -0.53 0.00 0.00 54.58 51.00 1ni9 n ASN 299 Cb 0.00 -0.64 -0.14 0.00 -2.08 0.00 0.00 39.78 36.92 1ni9 n ASN 299 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1ni9 s ILE 300 N -2.26 3.36 -0.16 1.53 1.01 -0.58 -0.60 121.20 123.50 1ni9 s ILE 300 Ca 0.39 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 1ni9 s ILE 300 Cb 0.30 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1ni9 s ILE 300 CO 0.11 0.45 0.15 0.00 0.00 0.00 0.00 174.94 175.64 1ni9 s ALA 301 N 1.21 3.77 -0.12 9.38 0.00 0.19 -1.54 121.76 134.65 1ni9 s ALA 301 Ca 0.03 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ni9 s ALA 301 Cb -0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1ni9 s ALA 301 CO -0.02 0.36 -0.12 0.99 0.00 0.00 0.00 175.76 176.97 1ni9 s THR 302 N -0.26 3.13 0.13 0.00 2.01 0.39 -0.44 115.64 120.59 1ni9 s THR 302 Ca 0.12 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1ni9 s THR 302 Cb -0.12 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1ni9 s THR 302 CO 0.01 0.53 0.23 0.42 -0.69 0.00 0.00 174.62 175.12 1ni9 s THR 303 N 0.25 5.12 -0.10 -0.82 -4.23 -0.50 -1.85 115.64 113.52 1ni9 s THR 303 Ca -0.08 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1ni9 s THR 303 Cb -0.15 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1ni9 s THR 303 CO 0.05 -0.04 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.35 1ni9 s GLU 304 N -3.04 1.96 -0.04 3.99 0.41 -1.26 -2.04 118.70 118.68 1ni9 s GLU 304 Ca 0.34 -0.47 0.05 0.00 -0.41 0.00 0.00 54.97 54.48 1ni9 s GLU 304 Cb -0.11 -1.72 -0.01 0.00 -1.78 0.00 0.00 34.13 30.51 1ni9 s GLU 304 CO 0.27 -0.09 -0.18 0.99 -0.49 0.00 0.00 175.26 175.77 1ni9 s THR 305 N 1.07 1.45 -0.18 3.63 2.01 0.10 -1.44 115.64 122.29 1ni9 s THR 305 Ca -0.06 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 1ni9 s THR 305 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1ni9 s THR 305 CO -0.02 0.42 0.37 -0.76 -0.69 0.00 0.00 174.62 173.94 1ni9 s LEU 306 N -0.04 4.20 -0.23 4.42 1.43 0.67 -0.49 118.68 128.63 1ni9 s LEU 306 Ca -0.02 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1ni9 s LEU 306 Cb -0.11 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.68 1ni9 s LEU 306 CO 0.02 -0.01 -0.08 -0.22 0.23 0.00 0.00 176.35 176.29 1ni9 s LEU 307 N 0.93 2.73 -0.16 1.79 1.98 -0.38 -1.75 118.68 123.81 1ni9 s LEU 307 Ca 0.19 -1.17 -0.01 0.00 -2.89 0.00 0.00 54.13 50.25 1ni9 s LEU 307 Cb -0.14 -1.29 -0.01 0.00 0.66 0.00 0.00 46.19 45.41 1ni9 s LEU 307 CO 0.07 -0.20 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.59 1ni9 s ILE 308 N 1.32 3.07 -0.33 6.68 1.01 0.01 -1.41 121.20 131.54 1ni9 s ILE 308 Ca -0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1ni9 s ILE 308 Cb -0.19 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.01 1ni9 s ILE 308 CO -0.06 0.49 0.08 -0.60 0.00 0.00 0.00 174.94 174.85 1ni9 s ARG 309 N 0.81 2.47 0.33 2.79 3.52 -0.67 -1.03 118.95 127.17 1ni9 s ARG 309 Ca -0.04 -1.30 0.11 0.00 -0.13 0.00 0.00 55.73 54.37 1ni9 s ARG 309 Cb -0.15 -3.36 0.56 0.00 -1.56 0.00 0.00 34.95 30.43 1ni9 s ARG 309 CO 0.01 -0.70 1.74 0.78 -0.81 0.00 0.00 175.30 176.31 1ni9 h GLY 310 N 8.11 0.05 0.91 8.12 0.00 -1.29 0.14 103.07 119.11 1ni9 h GLY 310 Ca -0.21 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1ni9 h GLY 310 CO 0.59 0.05 -0.06 1.70 0.00 0.00 0.00 176.54 178.81 1ni9 h LYS 311 N 0.04 0.62 -0.00 4.80 3.64 -1.52 -2.96 116.57 121.19 1ni9 h LYS 311 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ni9 h LYS 311 Cb 0.82 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1ni9 h LYS 311 CO 0.06 0.79 -0.52 -1.13 -2.27 0.00 0.00 179.45 176.38 1ni9 n SER 312 N -4.46 0.80 -3.39 4.20 3.41 -1.23 -4.98 113.62 107.97 1ni9 n SER 312 Ca -0.02 -0.60 -0.19 0.00 -0.26 0.00 0.00 58.87 57.80 1ni9 n SER 312 Cb 0.32 0.35 0.06 0.00 -0.26 0.00 0.00 64.21 64.69 1ni9 n SER 312 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ni9 n ARG 313 N -1.20 -2.77 -4.46 4.33 0.63 0.39 -5.01 116.66 108.57 1ni9 n ARG 313 Ca 0.07 0.77 -0.25 0.00 -0.92 0.00 0.00 57.85 57.52 1ni9 n ARG 313 Cb 0.35 -5.47 -0.10 0.00 0.45 0.00 0.00 32.46 27.69 1ni9 n ARG 313 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1ni9 s THR 314 N -3.42 2.46 -0.04 5.15 -4.23 -0.63 -4.99 115.64 109.94 1ni9 s THR 314 Ca 0.38 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1ni9 s THR 314 Cb -0.07 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1ni9 s THR 314 CO 0.77 -0.33 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.87 1ni9 s ILE 315 N -2.31 0.33 0.10 2.99 1.01 -1.26 -1.67 121.20 120.39 1ni9 s ILE 315 Ca 0.28 0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1ni9 s ILE 315 Cb -0.06 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1ni9 s ILE 315 CO 0.14 0.18 -0.17 -0.13 0.00 0.00 0.00 174.94 174.96 1ni9 s ARG 316 N 1.06 1.03 -0.23 2.79 0.52 -0.50 -4.99 118.95 118.63 1ni9 s ARG 316 Ca -0.09 -1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1ni9 s ARG 316 Cb -0.14 -1.12 0.01 0.00 0.52 0.00 0.00 34.95 34.23 1ni9 s ARG 316 CO -0.01 0.24 -0.08 0.50 0.02 0.00 0.00 175.30 175.97 1ni9 s ARG 317 N -2.13 3.05 -0.18 3.54 3.52 -1.26 -1.25 118.95 124.24 1ni9 s ARG 317 Ca 0.06 -0.83 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1ni9 s ARG 317 Cb -0.08 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1ni9 s ARG 317 CO 0.04 -0.30 -0.06 0.42 -0.81 0.00 0.00 175.30 174.59 1ni9 s ILE 318 N 1.37 3.45 -0.32 4.11 1.01 0.35 -4.96 121.20 126.22 1ni9 s ILE 318 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1ni9 s ILE 318 Cb -0.15 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1ni9 s ILE 318 CO -0.06 0.46 0.07 -1.58 0.00 0.00 0.00 174.94 173.84 1ni9 s GLN 319 N 0.94 2.62 -0.08 2.79 0.74 -1.26 -0.72 119.66 124.69 1ni9 s GLN 319 Ca -0.01 -1.16 -0.04 0.00 0.05 0.00 0.00 55.36 54.20 1ni9 s GLN 319 Cb -0.15 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1ni9 s GLN 319 CO 0.01 -0.62 0.10 -1.12 -0.55 0.00 0.00 175.29 173.10 1ni9 s SER 320 N 1.37 5.96 -0.12 6.67 0.01 -0.87 -4.93 113.70 121.79 1ni9 s SER 320 Ca -0.02 0.32 -0.26 0.00 1.31 0.00 0.00 55.95 57.30 1ni9 s SER 320 Cb -0.19 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 1ni9 s SER 320 CO 0.02 0.37 0.83 -0.63 0.41 0.00 0.00 173.24 174.23 1ni9 s ILE 321 N -1.04 4.91 -0.03 1.44 1.01 -1.26 -1.41 121.20 124.83 1ni9 s ILE 321 Ca 0.17 1.66 0.06 0.00 0.00 0.00 0.00 60.65 62.54 1ni9 s ILE 321 Cb -0.12 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1ni9 s ILE 321 CO 0.06 0.10 -0.20 -1.00 0.00 0.00 0.00 174.94 173.90 1ni9 s HIS 322 N 1.68 1.83 -0.22 3.97 3.76 0.41 -5.00 115.29 121.73 1ni9 s HIS 322 Ca 0.40 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 1ni9 s HIS 322 Cb -0.17 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 1ni9 s HIS 322 CO 0.16 -0.09 0.35 0.71 -0.85 0.00 0.00 174.74 175.02 1ni9 s TYR 323 N -0.29 3.34 0.44 1.40 2.02 -1.26 -0.63 117.35 122.36 1ni9 s TYR 323 Ca 0.03 0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 1ni9 s TYR 323 Cb -0.09 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1ni9 s TYR 323 CO 0.01 -0.04 0.72 -0.51 -1.57 0.00 0.00 175.55 174.16 1ni9 s LEU 324 N 1.40 3.75 0.30 -1.29 1.43 0.23 -4.95 118.68 119.56 1ni9 s LEU 324 Ca 0.16 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1ni9 s LEU 324 Cb -0.15 -3.74 0.49 0.00 0.03 0.00 0.00 46.19 42.83 1ni9 s LEU 324 CO 0.08 -0.48 1.76 0.44 0.23 0.00 0.00 176.35 178.37 1ni9 h ASP 325 N 0.47 0.40 0.00 2.29 5.19 -1.97 -3.48 116.42 119.32 1ni9 h ASP 325 Ca -0.48 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1ni9 h ASP 325 Cb 1.21 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1ni9 h ASP 325 CO 0.62 0.65 0.00 -1.14 -3.12 0.00 0.00 179.24 176.25