#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni6 n ASP 12 N 0.00 2.14 -0.34 1.08 10.43 -1.26 -4.78 116.55 123.81 1ni6 n ASP 12 Ca 0.00 1.09 0.25 0.00 2.57 0.00 0.00 54.79 58.70 1ni6 n ASP 12 Cb 0.00 -1.14 0.49 0.00 1.84 0.00 0.00 41.12 42.31 1ni6 n ASP 12 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1ni6 h LEU 13 N 6.48 0.50 -0.61 0.64 5.85 -1.89 -0.05 115.31 126.22 1ni6 h LEU 13 Ca -0.47 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1ni6 h LEU 13 Cb 1.33 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1ni6 h LEU 13 CO 0.92 -0.12 0.40 0.77 -0.34 0.00 0.00 178.44 180.07 1ni6 h SER 14 N 0.32 0.71 -0.24 1.25 4.64 -1.90 -0.98 113.55 117.34 1ni6 h SER 14 Ca 0.73 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 62.00 1ni6 h SER 14 Cb 1.73 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1ni6 h SER 14 CO -0.57 0.51 0.02 -0.33 -0.87 0.00 0.00 176.83 175.59 1ni6 h GLU 15 N 0.83 0.42 -0.35 4.77 4.39 -1.36 -1.60 114.58 121.68 1ni6 h GLU 15 Ca 0.22 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1ni6 h GLU 15 Cb -0.09 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 1ni6 h GLU 15 CO -0.05 0.57 -0.02 0.00 -1.16 0.00 0.00 179.01 178.36 1ni6 h ALA 16 N 0.82 0.30 0.31 3.43 0.00 -1.22 0.98 119.26 123.89 1ni6 h ALA 16 Ca 0.07 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ni6 h ALA 16 Cb 0.38 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ni6 h ALA 16 CO 0.01 -0.41 -0.26 -0.07 0.00 0.00 0.00 179.25 178.52 1ni6 h LEU 17 N 0.08 -0.68 -0.74 0.00 3.38 -1.09 0.50 115.31 116.77 1ni6 h LEU 17 Ca 0.17 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.33 1ni6 h LEU 17 Cb 0.24 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1ni6 h LEU 17 CO -0.30 -0.39 0.28 0.50 0.09 0.00 0.00 178.44 178.62 1ni6 h LYS 18 N -0.58 0.40 0.25 1.13 3.64 -0.88 -0.21 116.57 120.31 1ni6 h LYS 18 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1ni6 h LYS 18 Cb 0.51 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1ni6 h LYS 18 CO -0.02 0.27 -0.12 1.49 -2.27 0.00 0.00 179.45 178.80 1ni6 h GLU 19 N 0.41 -0.32 0.00 1.90 4.57 -0.36 -1.80 114.58 118.99 1ni6 h GLU 19 Ca 0.41 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.57 1ni6 h GLU 19 Cb 0.62 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1ni6 h GLU 19 CO -0.41 -0.05 -0.15 0.00 -1.18 0.00 0.00 179.01 177.22 1ni6 h ALA 20 N 0.11 1.29 -0.02 2.92 0.00 -0.50 -2.97 119.26 120.09 1ni6 h ALA 20 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ni6 h ALA 20 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ni6 h ALA 20 CO 0.06 0.19 -0.20 0.25 0.00 0.00 0.00 179.25 179.55 1ni6 n THR 21 N -3.70 0.00 -0.26 0.00 -2.24 -0.13 -4.56 114.28 103.40 1ni6 n THR 21 Ca -0.02 -0.40 0.01 0.00 -2.27 0.00 0.00 64.05 61.37 1ni6 n THR 21 Cb 0.27 1.35 0.08 0.00 -2.10 0.00 0.00 70.33 69.92 1ni6 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ni6 h LYS 22 N 3.26 -0.02 0.85 -0.78 3.64 -1.15 0.32 116.57 122.69 1ni6 h LYS 22 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1ni6 h LYS 22 Cb 0.79 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1ni6 h LYS 22 CO 0.00 -0.01 -0.41 1.49 -2.27 0.00 0.00 179.45 178.25 1ni6 h GLU 23 N -0.02 -1.10 -0.00 1.90 4.81 -1.81 -3.00 114.58 115.36 1ni6 h GLU 23 Ca 0.34 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1ni6 h GLU 23 Cb 0.55 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1ni6 h GLU 23 CO -0.77 -0.73 0.00 -0.39 -0.73 0.00 0.00 179.01 176.40 1ni6 h VAL 24 N -1.21 0.62 0.00 0.32 -1.51 -1.79 0.23 116.25 112.91 1ni6 h VAL 24 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1ni6 h VAL 24 Cb 0.87 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1ni6 h VAL 24 CO 0.19 0.00 0.00 1.57 -1.23 0.00 0.00 177.57 178.10 1ni6 n HIS 25 N -3.98 0.00 -0.13 5.19 -0.00 0.11 -1.35 115.22 115.06 1ni6 n HIS 25 Ca -0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.50 1ni6 n HIS 25 Cb 0.09 -0.44 -0.12 0.00 -0.00 0.00 0.00 29.99 29.52 1ni6 n HIS 25 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1ni6 n THR 26 N -1.44 1.50 -0.16 3.57 -1.04 0.75 -3.73 114.28 113.72 1ni6 n THR 26 Ca 0.06 -0.55 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1ni6 n THR 26 Cb 0.20 -1.47 -0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1ni6 n THR 26 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1ni6 h GLN 27 N -0.10 1.01 -0.13 -2.82 4.20 -1.25 -0.78 115.11 115.24 1ni6 h GLN 27 Ca -0.59 -0.43 -0.12 0.00 0.06 0.00 0.00 58.65 57.57 1ni6 h GLN 27 Cb 1.87 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.61 1ni6 h GLN 27 CO -0.12 1.11 -0.43 0.00 -0.67 0.00 0.00 178.83 178.73 1ni6 h ALA 28 N 0.87 1.03 0.00 3.87 0.00 -1.44 -2.48 119.26 121.11 1ni6 h ALA 28 Ca 0.11 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1ni6 h ALA 28 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ni6 h ALA 28 CO 0.07 0.61 -0.72 1.49 0.00 0.00 0.00 179.25 180.70 1ni6 h GLU 29 N 0.25 0.00 -0.28 0.00 4.81 -1.60 -3.20 114.58 114.56 1ni6 h GLU 29 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ni6 h GLU 29 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1ni6 h GLU 29 CO 0.07 0.72 0.00 0.09 -0.73 0.00 0.00 179.01 179.16 1ni6 n ASN 30 N -3.37 2.50 -4.64 1.04 3.02 -0.31 -3.53 115.26 109.96 1ni6 n ASN 30 Ca 0.01 -1.86 -0.37 0.00 -0.03 0.00 0.00 54.58 52.33 1ni6 n ASN 30 Cb 0.79 -0.18 0.07 0.00 -0.61 0.00 0.00 39.78 39.85 1ni6 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ni6 n ALA 31 N 0.87 0.19 -0.26 5.41 0.00 -0.95 -4.49 120.51 121.29 1ni6 n ALA 31 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 1ni6 n ALA 31 Cb 0.46 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.80 1ni6 n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ni6 h GLU 32 N 0.15 -0.07 0.93 0.00 4.39 -1.91 0.40 114.58 118.47 1ni6 h GLU 32 Ca -0.49 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 1ni6 h GLU 32 Cb 1.35 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1ni6 h GLU 32 CO 0.49 -0.04 -0.45 0.35 -1.16 0.00 0.00 179.01 178.20 1ni6 h PHE 33 N -0.07 -1.16 -0.89 4.33 3.57 -1.89 -2.02 116.94 118.81 1ni6 h PHE 33 Ca 0.31 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1ni6 h PHE 33 Cb 0.56 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1ni6 h PHE 33 CO -0.66 -0.72 0.57 0.52 -2.23 0.00 0.00 178.31 175.80 1ni6 h MET 34 N -1.29 1.07 0.04 1.11 2.86 -1.76 -0.09 114.93 116.86 1ni6 h MET 34 Ca -0.13 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1ni6 h MET 34 Cb 0.96 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1ni6 h MET 34 CO 0.21 0.71 -0.13 -0.09 1.06 0.00 0.00 176.91 178.66 1ni6 h ARG 35 N 1.10 -0.23 -0.35 1.72 2.43 -0.18 0.69 114.38 119.55 1ni6 h ARG 35 Ca 0.36 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1ni6 h ARG 35 Cb 0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ni6 h ARG 35 CO -0.13 -0.15 0.09 -0.91 -1.51 0.00 0.00 179.97 177.36 1ni6 h ASN 36 N -0.24 0.53 -0.08 -3.80 2.35 -1.10 -0.96 115.58 112.28 1ni6 h ASN 36 Ca 0.03 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1ni6 h ASN 36 Cb 0.28 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1ni6 h ASN 36 CO -0.10 0.61 0.05 0.15 -1.65 0.00 0.00 177.43 176.49 1ni6 h PHE 37 N 0.41 0.11 0.00 1.19 3.57 -0.74 0.90 116.94 122.38 1ni6 h PHE 37 Ca 0.11 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1ni6 h PHE 37 Cb 0.29 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1ni6 h PHE 37 CO 0.01 0.13 -0.09 0.37 -2.23 0.00 0.00 178.31 176.50 1ni6 h GLN 38 N 0.06 0.00 -0.00 1.11 5.75 0.44 -0.93 115.11 121.54 1ni6 h GLN 38 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1ni6 h GLN 38 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1ni6 h GLN 38 CO -0.01 0.09 -0.36 1.63 -2.65 0.00 0.00 178.83 177.54 1ni6 n LYS 39 N -4.14 0.13 0.00 1.69 5.02 -0.37 -4.95 118.16 115.53 1ni6 n LYS 39 Ca -0.03 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1ni6 n LYS 39 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1ni6 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ni6 n GLY 40 N 1.47 2.40 3.56 0.72 0.00 0.64 -5.04 105.19 108.94 1ni6 n GLY 40 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1ni6 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ni6 s GLN 41 N -0.27 3.25 -0.22 1.61 0.74 0.28 -4.88 119.66 120.17 1ni6 s GLN 41 Ca 0.00 0.08 -0.09 0.00 0.05 0.00 0.00 55.36 55.40 1ni6 s GLN 41 Cb 0.00 -4.15 0.09 0.00 1.10 0.00 0.00 33.01 30.05 1ni6 s GLN 41 CO 0.00 -2.04 0.49 0.54 -0.55 0.00 0.00 175.29 173.73 1ni6 s VAL 42 N 5.87 -0.44 0.16 1.34 0.11 -1.26 -2.61 120.40 123.57 1ni6 s VAL 42 Ca 0.43 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.53 1ni6 s VAL 42 Cb -0.09 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1ni6 s VAL 42 CO 0.20 0.04 0.40 0.42 -3.33 0.00 0.00 175.10 172.83 1ni6 s THR 43 N 2.18 5.15 0.36 5.04 -4.23 -1.26 -4.75 115.64 118.13 1ni6 s THR 43 Ca -0.06 0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1ni6 s THR 43 Cb -0.10 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.46 1ni6 s THR 43 CO -0.15 -0.01 1.72 0.03 -0.54 0.00 0.00 174.62 175.67 1ni6 h ARG 44 N 2.66 0.40 -0.41 3.99 3.08 -1.94 0.72 114.38 122.89 1ni6 h ARG 44 Ca -0.46 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 1ni6 h ARG 44 Cb 1.17 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1ni6 h ARG 44 CO 0.72 0.27 0.02 -0.44 -1.07 0.00 0.00 179.97 179.46 1ni6 h ASP 45 N 0.42 0.61 0.19 7.04 5.19 -1.98 0.14 116.42 128.02 1ni6 h ASP 45 Ca 0.66 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.94 1ni6 h ASP 45 Cb 1.55 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1ni6 h ASP 45 CO -0.43 0.67 -0.09 1.23 -3.12 0.00 0.00 179.24 177.50 1ni6 h GLY 46 N 0.90 -0.26 -0.00 2.75 0.00 -0.03 -2.23 103.07 104.19 1ni6 h GLY 46 Ca 0.13 0.10 0.17 0.00 0.00 0.00 0.00 47.33 47.73 1ni6 h GLY 46 CO 0.01 -0.10 0.34 -2.75 0.00 0.00 0.00 176.54 174.04 1ni6 h PHE 47 N -0.94 0.56 -0.34 5.60 3.57 -0.83 0.19 116.94 124.75 1ni6 h PHE 47 Ca -0.03 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1ni6 h PHE 47 Cb 0.48 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1ni6 h PHE 47 CO 0.07 0.02 -0.10 0.87 -2.23 0.00 0.00 178.31 176.94 1ni6 h LYS 48 N 0.43 0.58 -0.42 1.11 1.57 -0.78 -1.05 116.57 118.01 1ni6 h LYS 48 Ca 0.48 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1ni6 h LYS 48 Cb 0.80 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1ni6 h LYS 48 CO -0.46 0.68 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.82 1ni6 h LEU 49 N 0.54 0.84 -0.05 2.94 3.38 -0.03 -0.40 115.31 122.53 1ni6 h LEU 49 Ca 0.10 -0.30 -0.26 0.00 0.09 0.00 0.00 57.88 57.51 1ni6 h LEU 49 Cb 0.50 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ni6 h LEU 49 CO 0.03 1.03 -0.98 -0.37 0.09 0.00 0.00 178.44 178.23 1ni6 h VAL 50 N 0.72 1.29 -0.80 1.22 -1.51 -1.13 -1.56 116.25 114.49 1ni6 h VAL 50 Ca 0.10 -2.21 0.01 0.00 -1.23 0.00 0.00 66.70 63.37 1ni6 h VAL 50 Cb 0.74 2.30 -0.04 0.00 -2.13 0.00 0.00 31.29 32.16 1ni6 h VAL 50 CO 0.06 0.69 0.53 0.24 -1.23 0.00 0.00 177.57 177.85 1ni6 h MET 51 N 0.41 1.05 -0.45 5.19 2.86 -1.10 1.20 114.93 124.08 1ni6 h MET 51 Ca -0.11 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 1ni6 h MET 51 Cb 1.63 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 1ni6 h MET 51 CO 0.19 0.70 -0.02 0.00 1.06 0.00 0.00 176.91 178.84 1ni6 h ALA 52 N 1.29 1.12 0.08 6.32 0.00 -1.03 -1.35 119.26 125.69 1ni6 h ALA 52 Ca 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ni6 h ALA 52 Cb -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ni6 h ALA 52 CO -0.06 0.56 -0.04 0.77 0.00 0.00 0.00 179.25 180.48 1ni6 h SER 53 N 0.71 -0.09 -0.77 0.00 0.02 0.01 -2.11 113.55 111.32 1ni6 h SER 53 Ca 0.14 -0.37 0.16 0.00 -0.84 0.00 0.00 61.79 60.87 1ni6 h SER 53 Cb 0.46 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.92 1ni6 h SER 53 CO 0.02 0.34 0.26 -0.07 -1.14 0.00 0.00 176.83 176.24 1ni6 h LEU 54 N -0.55 0.17 -0.29 5.07 3.38 0.15 0.14 115.31 123.39 1ni6 h LEU 54 Ca -0.01 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1ni6 h LEU 54 Cb 0.46 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1ni6 h LEU 54 CO 0.02 0.03 0.05 0.22 0.09 0.00 0.00 178.44 178.85 1ni6 h TYR 55 N 0.36 0.08 -0.63 1.13 3.20 -1.13 0.38 116.97 120.36 1ni6 h TYR 55 Ca 0.43 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.26 1ni6 h TYR 55 Cb 0.72 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1ni6 h TYR 55 CO -0.20 0.01 0.15 0.45 -1.64 0.00 0.00 178.16 176.93 1ni6 h HIS 56 N 0.15 1.07 0.93 -3.82 3.86 -0.40 -0.40 115.15 116.54 1ni6 h HIS 56 Ca 0.13 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1ni6 h HIS 56 Cb 0.14 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.32 1ni6 h HIS 56 CO -0.17 0.89 -0.45 0.82 0.86 0.00 0.00 177.93 179.88 1ni6 h ILE 57 N 0.93 0.00 -0.83 2.45 2.04 -0.18 -2.05 117.51 119.87 1ni6 h ILE 57 Ca 0.20 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1ni6 h ILE 57 Cb 0.36 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1ni6 h ILE 57 CO 0.00 0.00 0.55 1.88 0.00 0.00 0.00 178.15 180.58 1ni6 h TYR 58 N -1.26 0.95 -0.33 1.37 0.05 -0.28 0.27 116.97 117.74 1ni6 h TYR 58 Ca -0.13 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.69 1ni6 h TYR 58 Cb 0.96 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 1ni6 h TYR 58 CO 0.02 0.51 0.20 0.28 -1.05 0.00 0.00 178.16 178.12 1ni6 h VAL 59 N 0.95 1.06 -0.15 -2.88 2.07 -0.97 0.71 116.25 117.03 1ni6 h VAL 59 Ca 0.35 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1ni6 h VAL 59 Cb 0.18 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ni6 h VAL 59 CO -0.12 0.08 -0.07 0.00 0.02 0.00 0.00 177.57 177.47 1ni6 h ALA 60 N 1.14 0.21 0.33 1.67 0.00 -0.54 -1.70 119.26 120.37 1ni6 h ALA 60 Ca 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ni6 h ALA 60 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ni6 h ALA 60 CO -0.05 0.02 -0.31 1.25 0.00 0.00 0.00 179.25 180.16 1ni6 h LEU 61 N -0.02 -0.84 -1.49 0.00 7.12 -0.34 -1.35 115.31 118.39 1ni6 h LEU 61 Ca 0.03 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.07 1ni6 h LEU 61 Cb 0.55 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1ni6 h LEU 61 CO 0.02 -0.45 -0.21 -0.33 -0.13 0.00 0.00 178.44 177.35 1ni6 h GLU 62 N -0.67 0.00 -0.30 1.25 5.08 -0.93 -0.54 114.58 118.47 1ni6 h GLU 62 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1ni6 h GLU 62 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ni6 h GLU 62 CO -0.05 0.21 -0.14 1.49 -1.00 0.00 0.00 179.01 179.51 1ni6 h GLU 63 N 0.00 0.63 -0.25 2.33 4.81 -0.91 -1.68 114.58 119.51 1ni6 h GLU 63 Ca -0.00 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 1ni6 h GLU 63 Cb 0.56 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ni6 h GLU 63 CO 0.03 0.86 -0.37 0.93 -0.73 0.00 0.00 179.01 179.72 1ni6 h GLU 64 N 0.39 0.57 -0.53 1.92 4.39 -0.80 -2.38 114.58 118.14 1ni6 h GLU 64 Ca 0.07 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1ni6 h GLU 64 Cb 0.66 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1ni6 h GLU 64 CO 0.04 0.86 0.25 0.82 -1.16 0.00 0.00 179.01 179.82 1ni6 h ILE 65 N 0.48 1.20 0.00 3.13 2.04 -0.99 -1.65 117.51 121.73 1ni6 h ILE 65 Ca 0.05 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1ni6 h ILE 65 Cb 0.86 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ni6 h ILE 65 CO 0.07 0.23 -0.24 -0.33 0.00 0.00 0.00 178.15 177.88 1ni6 h GLU 66 N 0.71 0.00 -0.35 2.37 4.39 -1.19 0.59 114.58 121.10 1ni6 h GLU 66 Ca 0.18 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 1ni6 h GLU 66 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1ni6 h GLU 66 CO -0.02 0.24 -0.32 -0.09 -1.16 0.00 0.00 179.01 177.66 1ni6 h ARG 67 N 0.00 0.78 -0.11 2.33 2.43 -0.80 -3.31 114.38 115.71 1ni6 h ARG 67 Ca -0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1ni6 h ARG 67 Cb 0.48 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ni6 h ARG 67 CO 0.03 0.99 0.00 0.09 -1.51 0.00 0.00 179.97 179.57 1ni6 n ASN 68 N -4.07 2.96 -0.10 -3.80 4.13 -0.70 -4.75 115.26 108.93 1ni6 n ASN 68 Ca -0.01 -3.05 0.09 0.00 1.68 0.00 0.00 54.58 53.29 1ni6 n ASN 68 Cb 0.49 -0.47 0.44 0.00 -1.54 0.00 0.00 39.78 38.70 1ni6 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1ni6 h LYS 69 N 0.73 0.52 -0.00 3.52 2.10 0.07 -1.86 116.57 121.65 1ni6 h LYS 69 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1ni6 h LYS 69 Cb 1.17 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1ni6 h LYS 69 CO 0.09 0.35 -0.30 0.39 -2.00 0.00 0.00 179.45 177.97 1ni6 n GLU 70 N -4.48 0.22 -2.50 0.07 1.02 -1.26 -3.15 120.64 110.55 1ni6 n GLU 70 Ca 0.09 -0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 1ni6 n GLU 70 Cb 0.27 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 1ni6 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ni6 s SER 71 N -2.85 7.22 0.57 1.62 0.15 -0.70 -4.78 113.70 114.92 1ni6 s SER 71 Ca 0.16 2.04 0.30 0.00 0.70 0.00 0.00 55.95 59.15 1ni6 s SER 71 Cb 0.18 -2.59 1.46 0.00 -1.71 0.00 0.00 66.02 63.36 1ni6 s SER 71 CO 0.61 -0.30 1.87 -0.65 1.20 0.00 0.00 173.24 175.97 1ni6 h PRO 72 N 5.69 0.00 0.00 5.44 0.11 -1.89 0.39 132.00 141.74 1ni6 h PRO 72 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ni6 h PRO 72 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ni6 h PRO 72 CO 0.75 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 178.15 1ni6 h VAL 73 N 0.00 0.00 0.00 3.15 -1.51 -1.91 -3.36 116.25 112.63 1ni6 h VAL 73 Ca 0.32 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1ni6 h VAL 73 Cb 1.47 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1ni6 h VAL 73 CO -0.00 0.00 -0.41 0.33 -1.23 0.00 0.00 177.57 176.25 1ni6 n PHE 74 N -2.44 0.00 -0.29 5.19 7.35 0.39 -4.77 117.46 122.89 1ni6 n PHE 74 Ca 0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1ni6 n PHE 74 Cb 0.22 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.08 1ni6 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ni6 n ALA 75 N -1.30 -0.08 0.32 3.13 0.00 0.11 -0.61 120.51 122.08 1ni6 n ALA 75 Ca 0.00 0.75 0.17 0.00 0.00 0.00 0.00 53.44 54.35 1ni6 n ALA 75 Cb 0.21 -0.34 0.87 0.00 0.00 0.00 0.00 19.45 20.18 1ni6 n ALA 75 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ni6 h PRO 76 N 0.00 0.00 -0.21 0.00 0.13 -1.84 -0.56 132.00 129.52 1ni6 h PRO 76 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1ni6 h PRO 76 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1ni6 h PRO 76 CO -0.74 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 178.36 1ni6 n VAL 77 N -2.98 2.09 -2.78 1.56 0.24 0.22 -4.69 118.33 112.00 1ni6 n VAL 77 Ca -0.02 -1.88 -0.43 0.00 -2.04 0.00 0.00 64.34 59.97 1ni6 n VAL 77 Cb 0.35 -0.18 -0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1ni6 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1ni6 s TYR 78 N -2.68 2.77 -0.50 6.34 5.04 -0.22 -4.92 117.35 123.18 1ni6 s TYR 78 Ca 0.38 0.14 0.07 0.00 -2.44 0.00 0.00 57.07 55.22 1ni6 s TYR 78 Cb 0.31 -4.16 0.26 0.00 0.35 0.00 0.00 41.96 38.72 1ni6 s TYR 78 CO 0.08 -1.36 0.64 1.19 -1.34 0.00 0.00 175.55 174.76 1ni6 n PHE 79 N 7.63 1.57 0.16 4.97 3.72 -1.26 -5.01 117.46 129.24 1ni6 n PHE 79 Ca 0.04 -3.85 -0.16 0.00 -0.05 0.00 0.00 57.45 53.44 1ni6 n PHE 79 Cb 0.48 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1ni6 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ni6 h PRO 80 N 4.00 -0.72 -0.77 -1.08 0.13 -1.98 -2.09 132.00 129.48 1ni6 h PRO 80 Ca 0.13 0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.37 1ni6 h PRO 80 Cb 0.77 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 1ni6 h PRO 80 CO 0.64 -0.48 0.46 0.93 -0.23 0.00 0.00 178.00 179.32 1ni6 h GLU 81 N -0.75 0.82 -0.02 0.86 4.39 -1.96 -0.65 114.58 117.27 1ni6 h GLU 81 Ca -0.00 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1ni6 h GLU 81 Cb 0.73 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1ni6 h GLU 81 CO -0.19 0.54 -0.75 0.93 -1.16 0.00 0.00 179.01 178.38 1ni6 h GLU 82 N 0.85 0.14 0.00 2.33 3.07 -1.82 -3.40 114.58 115.75 1ni6 h GLU 82 Ca 0.34 -0.13 -0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1ni6 h GLU 82 Cb 0.17 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1ni6 h GLU 82 CO -0.17 0.83 -1.62 1.28 -1.40 0.00 0.00 179.01 177.93 1ni6 n LEU 83 N -3.72 0.00 -4.57 1.33 4.77 -0.79 -4.56 117.00 109.46 1ni6 n LEU 83 Ca -0.02 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.45 1ni6 n LEU 83 Cb 0.72 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.89 1ni6 n LEU 83 CO 0.45 0.13 0.71 0.00 -1.33 0.00 0.00 177.39 177.36 1ni6 n HIS 84 N -2.14 1.21 0.00 -1.77 1.44 -0.27 -4.89 115.22 108.79 1ni6 n HIS 84 Ca -0.10 0.72 0.00 0.00 -2.01 0.00 0.00 57.72 56.33 1ni6 n HIS 84 Cb 0.57 -2.26 0.00 0.00 0.12 0.00 0.00 29.99 28.42 1ni6 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1ni6 n ARG 85 N 1.87 3.66 -0.19 -1.40 5.12 -1.26 -4.78 116.66 119.68 1ni6 n ARG 85 Ca 0.16 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1ni6 n ARG 85 Cb 0.22 -0.71 0.08 0.00 -1.16 0.00 0.00 32.46 30.90 1ni6 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1ni6 h LYS 86 N 0.00 0.10 -0.28 5.56 3.64 -1.90 -0.01 116.57 123.68 1ni6 h LYS 86 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1ni6 h LYS 86 Cb 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1ni6 h LYS 86 CO 0.00 0.07 0.17 0.00 -2.27 0.00 0.00 179.45 177.42 1ni6 h ALA 87 N 1.53 0.35 -0.85 5.00 0.00 -2.00 -0.39 119.26 122.90 1ni6 h ALA 87 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ni6 h ALA 87 Cb 0.47 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1ni6 h ALA 87 CO -0.50 -0.20 0.54 0.00 0.00 0.00 0.00 179.25 179.09 1ni6 h ALA 88 N 1.12 1.34 -0.41 0.00 0.00 -1.62 -1.92 119.26 117.77 1ni6 h ALA 88 Ca 0.11 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1ni6 h ALA 88 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1ni6 h ALA 88 CO -0.04 0.59 -0.30 -0.07 0.00 0.00 0.00 179.25 179.43 1ni6 h LEU 89 N 1.17 0.94 -0.65 0.00 3.38 -0.60 -2.42 115.31 117.13 1ni6 h LEU 89 Ca 0.31 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ni6 h LEU 89 Cb -0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1ni6 h LEU 89 CO -0.06 1.17 0.41 -0.33 0.09 0.00 0.00 178.44 179.72 1ni6 h GLU 90 N 0.76 0.79 -0.83 1.13 5.08 -0.52 0.27 114.58 121.27 1ni6 h GLU 90 Ca 0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ni6 h GLU 90 Cb 0.87 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1ni6 h GLU 90 CO 0.08 0.52 0.48 1.96 -1.00 0.00 0.00 179.01 181.05 1ni6 h GLN 91 N 0.82 1.14 0.05 2.33 1.08 -1.24 -2.06 115.11 117.22 1ni6 h GLN 91 Ca 0.26 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1ni6 h GLN 91 Cb -0.01 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1ni6 h GLN 91 CO -0.09 0.81 -0.02 -0.44 -0.95 0.00 0.00 178.83 178.14 1ni6 h ASP 92 N 1.15 -0.05 0.21 1.46 3.45 -0.76 -3.11 116.42 118.77 1ni6 h ASP 92 Ca 0.30 -0.52 -0.02 0.00 0.43 0.00 0.00 57.03 57.22 1ni6 h ASP 92 Cb -0.01 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1ni6 h ASP 92 CO -0.05 0.52 -0.08 -0.07 -1.57 0.00 0.00 179.24 177.98 1ni6 h LEU 93 N -0.65 0.00 -0.79 1.55 4.07 -0.48 0.13 115.31 119.14 1ni6 h LEU 93 Ca -0.01 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 1ni6 h LEU 93 Cb 0.57 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1ni6 h LEU 93 CO 0.01 0.08 -0.52 0.00 -1.08 0.00 0.00 178.44 176.94 1ni6 h ALA 94 N 1.92 0.98 0.12 1.53 0.00 -1.42 0.47 119.26 122.85 1ni6 h ALA 94 Ca -0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.13 1ni6 h ALA 94 Cb 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ni6 h ALA 94 CO 0.01 0.67 -1.24 0.35 0.00 0.00 0.00 179.25 179.04 1ni6 h PHE 95 N 0.18 0.95 0.00 0.00 3.57 -0.78 -0.88 116.94 119.98 1ni6 h PHE 95 Ca 0.00 -0.60 -0.22 0.00 3.53 0.00 0.00 57.97 60.68 1ni6 h PHE 95 Cb 0.97 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1ni6 h PHE 95 CO 0.02 1.44 -1.17 -1.49 -2.23 0.00 0.00 178.31 174.88 1ni6 h TRP 96 N 0.25 0.00 -0.04 0.41 4.06 -0.91 -3.36 115.95 116.36 1ni6 h TRP 96 Ca -0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1ni6 h TRP 96 Cb 1.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.07 1ni6 h TRP 96 CO 0.11 0.94 0.00 0.66 -3.56 0.00 0.00 178.44 176.58 1ni6 n TYR 97 N -3.23 0.05 -0.27 0.49 4.01 0.15 -5.08 117.16 113.27 1ni6 n TYR 97 Ca -0.05 -0.13 0.04 0.00 -0.16 0.00 0.00 57.90 57.60 1ni6 n TYR 97 Cb 0.95 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.96 1ni6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ni6 n GLY 98 N 0.17 -1.64 0.34 2.72 0.00 -0.33 -4.01 105.19 102.44 1ni6 n GLY 98 Ca 0.03 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.75 1ni6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ni6 n PRO 99 N -2.06 -0.08 -1.33 1.61 -0.04 -1.25 -1.12 135.00 130.74 1ni6 n PRO 99 Ca -0.00 1.49 -0.34 0.00 -0.04 0.00 0.00 63.50 64.61 1ni6 n PRO 99 Cb 0.13 -2.37 0.07 0.00 -0.04 0.00 0.00 33.50 31.29 1ni6 n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ni6 n ARG 100 N -5.49 2.62 -0.32 0.54 1.74 -1.26 -4.65 116.66 109.84 1ni6 n ARG 100 Ca 0.24 -3.15 0.04 0.00 -0.77 0.00 0.00 57.85 54.21 1ni6 n ARG 100 Cb 0.77 -2.23 0.19 0.00 -1.02 0.00 0.00 32.46 30.17 1ni6 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1ni6 h TRP 101 N 2.01 0.98 -0.68 -1.55 5.08 -1.25 -1.89 115.95 118.65 1ni6 h TRP 101 Ca 0.58 0.03 0.14 0.00 1.08 0.00 0.00 58.89 60.72 1ni6 h TRP 101 Cb 0.78 -0.31 -0.04 0.00 -3.00 0.00 0.00 29.16 26.59 1ni6 h TRP 101 CO 1.37 0.41 0.46 1.96 -1.28 0.00 0.00 178.44 181.36 1ni6 h GLN 102 N 0.89 0.34 -0.00 0.12 4.20 -1.86 0.76 115.11 119.57 1ni6 h GLN 102 Ca 0.43 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1ni6 h GLN 102 Cb 0.38 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ni6 h GLN 102 CO -0.24 0.22 -0.52 0.39 -0.67 0.00 0.00 178.83 178.01 1ni6 n GLU 103 N -4.46 0.08 -0.07 1.46 1.02 -0.73 -4.47 120.64 113.47 1ni6 n GLU 103 Ca 0.13 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1ni6 n GLU 103 Cb 0.51 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1ni6 n GLU 103 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1ni6 n VAL 104 N -1.41 0.82 -1.52 2.62 3.14 -0.28 -5.04 118.33 116.65 1ni6 n VAL 104 Ca 0.06 -0.34 -0.42 0.00 -2.96 0.00 0.00 64.34 60.67 1ni6 n VAL 104 Cb 0.34 -0.97 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 1ni6 n VAL 104 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1ni6 n ILE 105 N -2.85 2.07 -2.46 1.55 -5.35 0.10 -4.93 119.36 107.50 1ni6 n ILE 105 Ca -0.25 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.33 1ni6 n ILE 105 Cb 0.79 -0.79 -0.04 0.00 -1.74 0.00 0.00 39.64 37.86 1ni6 n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ni6 s PRO 106 N -1.70 4.63 -0.59 6.28 0.04 -1.26 -5.02 135.00 137.37 1ni6 s PRO 106 Ca 0.63 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.55 1ni6 s PRO 106 Cb -0.62 -3.18 0.19 0.00 0.04 0.00 0.00 34.50 30.93 1ni6 s PRO 106 CO 0.58 0.19 0.50 0.98 0.04 0.00 0.00 177.00 179.29 1ni6 n TYR 107 N 1.18 1.89 -1.51 0.56 9.36 -1.26 -4.78 117.16 122.61 1ni6 n TYR 107 Ca -0.01 -3.96 -0.33 0.00 3.32 0.00 0.00 57.90 56.92 1ni6 n TYR 107 Cb 0.45 -0.35 0.08 0.00 -0.63 0.00 0.00 39.34 38.88 1ni6 n TYR 107 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1ni6 s THR 108 N -1.21 2.88 0.55 2.97 -4.23 -1.26 -4.81 115.64 110.52 1ni6 s THR 108 Ca 0.30 0.39 0.23 0.00 -1.18 0.00 0.00 61.69 61.43 1ni6 s THR 108 Cb 0.03 -2.87 0.31 0.00 1.34 0.00 0.00 72.50 71.30 1ni6 s THR 108 CO -0.15 -0.27 2.19 -0.65 -0.54 0.00 0.00 174.62 175.20 1ni6 h PRO 109 N -0.38 0.00 -0.20 3.99 0.11 -1.99 0.86 132.00 134.39 1ni6 h PRO 109 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1ni6 h PRO 109 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ni6 h PRO 109 CO 0.51 0.02 -0.43 0.00 -0.21 0.00 0.00 178.00 177.89 1ni6 h ALA 110 N 1.98 0.32 -0.39 -0.75 0.00 -1.95 -0.65 119.26 117.83 1ni6 h ALA 110 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1ni6 h ALA 110 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ni6 h ALA 110 CO 0.00 0.44 0.05 0.52 0.00 0.00 0.00 179.25 180.26 1ni6 h MET 111 N 0.33 0.60 -0.36 0.00 2.86 -1.60 -2.00 114.93 114.76 1ni6 h MET 111 Ca 0.00 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 1ni6 h MET 111 Cb 1.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1ni6 h MET 111 CO 0.09 0.59 -0.30 1.96 1.06 0.00 0.00 176.91 180.31 1ni6 h GLN 112 N 0.58 0.78 0.27 1.72 4.20 -0.59 -1.85 115.11 120.22 1ni6 h GLN 112 Ca 0.13 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1ni6 h GLN 112 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ni6 h GLN 112 CO 0.00 0.98 -0.13 0.00 -0.67 0.00 0.00 178.83 179.01 1ni6 h ARG 113 N 0.66 -0.35 -0.71 1.46 3.08 -0.60 0.47 114.38 118.38 1ni6 h ARG 113 Ca 0.07 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.28 1ni6 h ARG 113 Cb 0.84 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.87 1ni6 h ARG 113 CO 0.07 -0.12 0.24 -0.92 -1.07 0.00 0.00 179.97 178.18 1ni6 h TYR 114 N -0.53 0.41 -0.29 3.04 5.03 -1.35 -0.05 116.97 123.23 1ni6 h TYR 114 Ca -0.04 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.18 1ni6 h TYR 114 Cb 0.39 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 1ni6 h TYR 114 CO -0.01 0.03 -0.36 0.28 -1.32 0.00 0.00 178.16 176.77 1ni6 h VAL 115 N 0.38 1.29 -0.28 1.81 2.07 -1.03 -2.60 116.25 117.88 1ni6 h VAL 115 Ca 0.39 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 1ni6 h VAL 115 Cb 0.59 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1ni6 h VAL 115 CO -0.41 0.49 -0.19 0.50 0.02 0.00 0.00 177.57 177.98 1ni6 h LYS 116 N 0.55 0.51 0.02 1.57 1.63 0.14 -2.61 116.57 118.39 1ni6 h LYS 116 Ca 0.05 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1ni6 h LYS 116 Cb 0.88 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1ni6 h LYS 116 CO 0.08 0.68 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.66 1ni6 h ARG 117 N 0.46 -0.02 -0.76 1.90 9.65 -0.95 -2.12 114.38 122.54 1ni6 h ARG 117 Ca 0.08 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.13 1ni6 h ARG 117 Cb 0.59 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.05 1ni6 h ARG 117 CO 0.04 0.37 0.07 -0.07 2.80 0.00 0.00 179.97 183.19 1ni6 h LEU 118 N -0.42 -0.22 -0.89 3.80 4.07 -1.31 0.30 115.31 120.64 1ni6 h LEU 118 Ca -0.00 0.18 -0.12 0.00 0.08 0.00 0.00 57.88 58.02 1ni6 h LEU 118 Cb 0.41 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1ni6 h LEU 118 CO 0.00 -0.14 -0.54 0.45 -1.08 0.00 0.00 178.44 177.13 1ni6 h HIS 119 N 0.15 0.05 0.41 1.13 3.86 -1.43 0.13 115.15 119.45 1ni6 h HIS 119 Ca 0.42 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.60 1ni6 h HIS 119 Cb 0.76 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1ni6 h HIS 119 CO -0.36 0.57 -0.20 0.93 0.86 0.00 0.00 177.93 179.74 1ni6 h GLU 120 N 0.03 -0.53 0.18 2.45 5.08 0.11 -0.24 114.58 121.67 1ni6 h GLU 120 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ni6 h GLU 120 Cb 0.97 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1ni6 h GLU 120 CO 0.07 -0.22 -0.35 0.28 -1.00 0.00 0.00 179.01 177.80 1ni6 h VAL 121 N -0.85 0.00 -1.00 3.13 2.07 -0.50 0.36 116.25 119.45 1ni6 h VAL 121 Ca -0.06 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.69 1ni6 h VAL 121 Cb 0.55 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.22 1ni6 h VAL 121 CO 0.09 0.00 0.63 1.23 0.02 0.00 0.00 177.57 179.54 1ni6 h GLY 122 N -0.57 1.49 0.95 2.17 0.00 -0.80 0.20 103.07 106.51 1ni6 h GLY 122 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 1ni6 h GLY 122 CO -0.13 -0.12 -1.49 0.54 0.00 0.00 0.00 176.54 175.35 1ni6 n ARG 123 N -4.71 0.62 -0.00 4.80 1.74 -0.10 -4.35 116.66 114.67 1ni6 n ARG 123 Ca 0.24 0.22 0.01 0.00 -0.77 0.00 0.00 57.85 57.55 1ni6 n ARG 123 Cb 0.73 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1ni6 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ni6 n THR 124 N -2.90 0.02 -3.01 0.55 -2.24 0.12 -4.88 114.28 101.94 1ni6 n THR 124 Ca -0.11 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 1ni6 n THR 124 Cb 0.87 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1ni6 n THR 124 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ni6 n GLU 125 N -1.63 0.83 0.30 -0.78 0.28 0.64 -4.98 120.64 115.29 1ni6 n GLU 125 Ca -0.01 -2.70 0.18 0.00 -0.16 0.00 0.00 57.16 54.48 1ni6 n GLU 125 Cb 0.12 -1.36 0.98 0.00 1.43 0.00 0.00 31.44 32.61 1ni6 n GLU 125 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1ni6 h PRO 126 N 3.65 0.00 0.00 3.44 0.11 -1.56 -1.18 132.00 136.45 1ni6 h PRO 126 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ni6 h PRO 126 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ni6 h PRO 126 CO 0.39 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.11 1ni6 h GLU 127 N 0.00 0.00 0.00 1.05 3.07 -1.86 -1.81 114.58 115.03 1ni6 h GLU 127 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ni6 h GLU 127 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1ni6 h GLU 127 CO 0.00 0.00 -1.00 1.28 -1.40 0.00 0.00 179.01 177.89 1ni6 n LEU 128 N -2.54 0.70 0.04 1.33 4.77 -0.45 -4.27 117.00 116.59 1ni6 n LEU 128 Ca 0.00 -0.22 0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1ni6 n LEU 128 Cb 0.19 -0.08 0.59 0.00 -2.33 0.00 0.00 43.42 41.80 1ni6 n LEU 128 CO 0.20 0.14 1.15 0.25 -1.33 0.00 0.00 177.39 177.80 1ni6 h LEU 129 N 0.00 0.16 -2.62 2.23 5.85 -1.45 0.34 115.31 119.81 1ni6 h LEU 129 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ni6 h LEU 129 Cb 0.61 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ni6 h LEU 129 CO 0.00 0.10 0.01 1.62 -0.34 0.00 0.00 178.44 179.83 1ni6 h VAL 130 N 0.18 0.36 0.09 1.05 3.04 -1.74 -1.19 116.25 118.04 1ni6 h VAL 130 Ca 0.19 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1ni6 h VAL 130 Cb 0.51 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1ni6 h VAL 130 CO -0.03 0.00 -0.05 0.00 -1.01 0.00 0.00 177.57 176.49 1ni6 h ALA 131 N 1.99 -0.13 -0.05 3.17 0.00 -0.61 -2.16 119.26 121.47 1ni6 h ALA 131 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ni6 h ALA 131 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ni6 h ALA 131 CO -0.00 -0.50 -0.13 0.45 0.00 0.00 0.00 179.25 179.07 1ni6 h HIS 132 N -0.28 0.23 -0.53 0.00 -0.00 -1.41 -2.77 115.15 110.40 1ni6 h HIS 132 Ca -0.01 -0.09 0.10 0.00 -0.00 0.00 0.00 60.37 60.37 1ni6 h HIS 132 Cb 0.23 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 27.51 1ni6 h HIS 132 CO -0.02 0.74 0.00 0.00 -0.00 0.00 0.00 177.93 178.65 1ni6 h ALA 133 N 0.45 0.51 0.09 2.45 0.00 -1.32 0.26 119.26 121.70 1ni6 h ALA 133 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ni6 h ALA 133 Cb 0.73 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ni6 h ALA 133 CO 0.03 -0.38 -0.04 -0.92 0.00 0.00 0.00 179.25 177.93 1ni6 h TYR 134 N 0.12 -0.11 -0.55 0.00 3.20 -1.45 -1.58 116.97 116.61 1ni6 h TYR 134 Ca 0.27 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 1ni6 h TYR 134 Cb 0.41 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1ni6 h TYR 134 CO -0.32 0.01 -0.08 1.79 -1.64 0.00 0.00 178.16 177.92 1ni6 h THR 135 N -0.21 1.27 0.19 1.81 1.35 -1.15 -3.05 112.91 113.12 1ni6 h THR 135 Ca -0.01 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 1ni6 h THR 135 Cb 0.17 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1ni6 h THR 135 CO 0.02 0.43 -0.09 0.03 -0.25 0.00 0.00 175.52 175.66 1ni6 h ARG 136 N 0.90 -0.25 0.41 4.72 2.47 -0.46 -2.30 114.38 119.87 1ni6 h ARG 136 Ca 0.15 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1ni6 h ARG 136 Cb 0.63 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 1ni6 h ARG 136 CO 0.04 -0.16 -0.42 1.88 0.56 0.00 0.00 179.97 181.86 1ni6 h TYR 137 N -0.46 -1.16 -0.60 3.04 0.05 -1.43 0.49 116.97 116.89 1ni6 h TYR 137 Ca -0.03 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 1ni6 h TYR 137 Cb 0.20 0.45 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1ni6 h TYR 137 CO 0.07 -0.58 0.10 -0.07 -1.05 0.00 0.00 178.16 176.63 1ni6 h LEU 138 N -0.85 0.92 0.61 3.88 -0.00 -1.70 0.42 115.31 118.60 1ni6 h LEU 138 Ca -0.04 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.61 1ni6 h LEU 138 Cb 0.76 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1ni6 h LEU 138 CO -0.07 0.92 -0.33 1.23 -0.00 0.00 0.00 178.44 180.19 1ni6 h GLY 139 N 1.03 -0.98 1.14 0.83 0.00 -1.14 -0.56 103.07 103.38 1ni6 h GLY 139 Ca 0.19 0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1ni6 h GLY 139 CO 0.01 -0.35 0.40 -0.55 0.00 0.00 0.00 176.54 176.05 1ni6 h ASP 140 N -0.87 0.47 0.21 0.19 3.32 0.06 -2.11 116.42 117.70 1ni6 h ASP 140 Ca -0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 1ni6 h ASP 140 Cb 0.68 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ni6 h ASP 140 CO 0.11 0.30 -0.38 0.25 -1.72 0.00 0.00 179.24 177.81 1ni6 h LEU 141 N 0.54 0.24 0.00 1.55 5.85 0.06 0.16 115.31 123.72 1ni6 h LEU 141 Ca 0.26 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1ni6 h LEU 141 Cb 0.35 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ni6 h LEU 141 CO -0.08 0.60 -0.09 0.28 -0.34 0.00 0.00 178.44 178.81 1ni6 h SER 142 N 0.20 0.08 0.83 1.25 0.02 -0.42 -3.36 113.55 112.15 1ni6 h SER 142 Ca 0.02 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1ni6 h SER 142 Cb 0.76 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1ni6 h SER 142 CO 0.06 0.88 -0.67 0.61 -1.14 0.00 0.00 176.83 176.57 1ni6 n GLY 143 N 1.11 -1.40 0.26 -3.77 0.00 -1.04 -4.53 105.19 95.83 1ni6 n GLY 143 Ca -0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 1ni6 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni6 n GLY 144 N 1.34 -2.15 0.40 -0.02 0.00 0.57 -2.14 105.19 103.18 1ni6 n GLY 144 Ca 0.03 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 46.76 1ni6 n GLY 144 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ni6 h GLN 145 N 0.00 -0.52 -0.77 1.61 1.08 -1.80 -0.40 115.11 114.32 1ni6 h GLN 145 Ca 0.10 0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.51 1ni6 h GLN 145 Cb 0.26 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.68 1ni6 h GLN 145 CO -0.59 -0.35 0.17 0.28 -0.95 0.00 0.00 178.83 177.40 1ni6 h VAL 146 N -0.54 0.45 -0.04 -0.54 2.07 -1.73 0.31 116.25 116.23 1ni6 h VAL 146 Ca 0.06 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1ni6 h VAL 146 Cb 0.64 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ni6 h VAL 146 CO -0.33 0.04 -0.33 -0.07 0.02 0.00 0.00 177.57 176.90 1ni6 h LEU 147 N 0.24 0.08 -0.45 2.57 3.38 -1.01 -2.89 115.31 117.22 1ni6 h LEU 147 Ca 0.44 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1ni6 h LEU 147 Cb 0.79 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1ni6 h LEU 147 CO -0.56 0.40 0.23 0.50 0.09 0.00 0.00 178.44 179.11 1ni6 h LYS 148 N 0.07 0.45 -0.28 1.13 3.64 0.13 -0.69 116.57 121.02 1ni6 h LYS 148 Ca 0.01 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1ni6 h LYS 148 Cb 0.62 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ni6 h LYS 148 CO 0.05 0.30 -0.43 0.87 -2.27 0.00 0.00 179.45 177.96 1ni6 h LYS 149 N 0.47 0.71 0.00 1.90 1.79 -1.33 -1.43 116.57 118.68 1ni6 h LYS 149 Ca 0.19 -0.39 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 1ni6 h LYS 149 Cb 0.09 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1ni6 h LYS 149 CO -0.13 1.01 -0.05 0.82 -1.08 0.00 0.00 179.45 180.02 1ni6 h ILE 150 N 0.58 0.17 0.06 1.86 2.04 -1.26 -0.45 117.51 120.50 1ni6 h ILE 150 Ca 0.04 -0.43 -0.22 0.00 1.00 0.00 0.00 64.86 65.25 1ni6 h ILE 150 Cb 0.98 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1ni6 h ILE 150 CO 0.09 0.04 -1.16 0.00 0.00 0.00 0.00 178.15 177.13 1ni6 h ALA 151 N 1.95 0.19 0.20 1.87 0.00 -0.70 -3.37 119.26 119.41 1ni6 h ALA 151 Ca -0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 1ni6 h ALA 151 Cb 0.36 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ni6 h ALA 151 CO 0.01 0.67 -0.10 -0.56 0.00 0.00 0.00 179.25 179.27 1ni6 h GLN 152 N -0.65 -0.26 -2.61 0.00 3.07 -1.15 -1.92 115.11 111.59 1ni6 h GLN 152 Ca -0.28 0.02 -0.48 0.00 0.09 0.00 0.00 58.65 58.00 1ni6 h GLN 152 Cb 1.49 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.10 1ni6 h GLN 152 CO -0.05 0.12 2.20 1.63 0.09 0.00 0.00 178.83 182.82 1ni6 n LYS 153 N -5.01 3.05 0.00 0.06 5.02 -0.19 -3.12 118.16 117.97 1ni6 n LYS 153 Ca -0.09 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 1ni6 n LYS 153 Cb 0.26 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1ni6 n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ni6 n ALA 154 N 3.14 0.00 1.03 7.82 0.00 -1.22 -4.85 120.51 126.43 1ni6 n ALA 154 Ca 0.65 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.20 1ni6 n ALA 154 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.97 1ni6 n ALA 154 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ni6 n LEU 155 N -0.72 1.55 -3.16 0.00 4.77 -0.72 -4.99 117.00 113.73 1ni6 n LEU 155 Ca 0.00 -0.59 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 1ni6 n LEU 155 Cb 0.00 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ni6 n LEU 155 CO 0.00 0.31 -0.32 0.47 -1.33 0.00 0.00 177.39 176.52 1ni6 n ASP 156 N -0.59 -5.26 -4.76 -1.43 10.43 -1.18 -4.95 116.55 108.81 1ni6 n ASP 156 Ca 0.08 0.02 -0.30 0.00 2.57 0.00 0.00 54.79 57.16 1ni6 n ASP 156 Cb 0.41 -1.43 -0.07 0.00 1.84 0.00 0.00 41.12 41.88 1ni6 n ASP 156 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 1ni6 s LEU 157 N -1.77 3.74 0.03 0.64 0.05 -1.26 -5.05 118.68 115.05 1ni6 s LEU 157 Ca 0.23 -0.06 -0.31 0.00 0.05 0.00 0.00 54.13 54.04 1ni6 s LEU 157 Cb -0.02 -2.41 -0.10 0.00 -2.05 0.00 0.00 46.19 41.60 1ni6 s LEU 157 CO 0.53 0.16 1.95 -0.81 -0.55 0.00 0.00 176.35 177.62 1ni6 n PRO 158 N 0.34 2.77 -0.09 1.48 -0.04 -1.26 -4.76 135.00 133.44 1ni6 n PRO 158 Ca -0.09 1.01 -0.02 0.00 -0.04 0.00 0.00 63.50 64.36 1ni6 n PRO 158 Cb 0.52 -2.95 -0.01 0.00 -0.04 0.00 0.00 33.50 31.03 1ni6 n PRO 158 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ni6 n SER 159 N 7.18 0.56 -1.31 3.54 3.41 -1.26 -4.33 113.62 121.41 1ni6 n SER 159 Ca 0.20 -1.88 -0.01 0.00 -0.26 0.00 0.00 58.87 56.92 1ni6 n SER 159 Cb 0.39 -0.42 0.17 0.00 -0.26 0.00 0.00 64.21 64.08 1ni6 n SER 159 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ni6 n SER 160 N 4.25 3.34 -3.77 4.04 7.64 -1.26 -4.89 113.62 122.97 1ni6 n SER 160 Ca 0.05 -2.55 -0.29 0.00 1.01 0.00 0.00 58.87 57.08 1ni6 n SER 160 Cb 0.03 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.61 1ni6 n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ni6 n GLY 161 N 0.13 -0.48 3.25 0.23 0.00 -1.26 -4.95 105.19 102.11 1ni6 n GLY 161 Ca 0.18 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 1ni6 n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ni6 s GLU 162 N -6.45 0.88 0.00 1.61 2.02 -1.26 -4.98 118.70 110.52 1ni6 s GLU 162 Ca 0.58 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1ni6 s GLU 162 Cb -0.30 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1ni6 s GLU 162 CO 0.71 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1ni6 n GLY 163 N 0.22 1.67 1.67 -1.39 0.00 -1.26 -4.96 105.19 101.14 1ni6 n GLY 163 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1ni6 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni6 n LEU 164 N 0.00 3.71 0.03 0.99 4.77 -1.26 -4.78 117.00 120.46 1ni6 n LEU 164 Ca 0.00 -4.17 -0.11 0.00 -0.03 0.00 0.00 56.01 51.70 1ni6 n LEU 164 Cb 0.00 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1ni6 n LEU 164 CO 0.00 1.70 0.37 0.00 -1.33 0.00 0.00 177.39 178.13 1ni6 h ALA 165 N 1.82 0.57 -1.01 -1.18 0.00 -1.93 -3.20 119.26 114.33 1ni6 h ALA 165 Ca 0.17 -0.58 0.24 0.00 0.00 0.00 0.00 54.91 54.74 1ni6 h ALA 165 Cb 1.38 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1ni6 h ALA 165 CO 0.44 0.73 0.62 0.35 0.00 0.00 0.00 179.25 181.39 1ni6 h PHE 166 N 0.35 0.91 0.00 0.00 3.57 -1.86 0.18 116.94 120.09 1ni6 h PHE 166 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ni6 h PHE 166 Cb 1.27 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1ni6 h PHE 166 CO 0.05 0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.43 1ni6 n PHE 167 N -4.77 0.00 -4.20 0.41 3.72 -1.21 -4.61 117.46 106.80 1ni6 n PHE 167 Ca 0.25 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.32 1ni6 n PHE 167 Cb 0.74 -0.34 -0.16 0.00 -0.94 0.00 0.00 39.48 38.79 1ni6 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ni6 s THR 168 N -2.67 2.26 -0.84 4.37 2.01 0.62 -4.33 115.64 117.06 1ni6 s THR 168 Ca 0.15 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1ni6 s THR 168 Cb 0.12 -1.95 0.22 0.00 0.01 0.00 0.00 72.50 70.89 1ni6 s THR 168 CO 0.28 0.53 0.78 -0.36 -0.69 0.00 0.00 174.62 175.15 1ni6 s PHE 169 N 1.21 3.79 0.56 4.92 0.40 -1.26 -4.92 117.98 122.68 1ni6 s PHE 169 Ca 0.03 -2.08 0.35 0.00 -0.60 0.00 0.00 56.93 54.63 1ni6 s PHE 169 Cb -0.14 -3.79 1.98 0.00 0.51 0.00 0.00 43.02 41.58 1ni6 s PHE 169 CO -0.09 -0.98 2.26 -1.00 0.70 0.00 0.00 175.22 176.11 1ni6 h PRO 170 N 7.66 0.00 -0.28 0.24 0.13 -1.93 -2.66 132.00 135.16 1ni6 h PRO 170 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ni6 h PRO 170 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ni6 h PRO 170 CO 0.77 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.65 1ni6 n ASN 171 N -3.47 1.94 -4.00 1.44 3.02 -1.26 -4.66 115.26 108.26 1ni6 n ASN 171 Ca -0.03 -1.86 -0.31 0.00 -0.03 0.00 0.00 54.58 52.35 1ni6 n ASN 171 Cb 0.12 -0.18 -0.15 0.00 -0.61 0.00 0.00 39.78 38.95 1ni6 n ASN 171 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ni6 s ILE 172 N -1.63 2.00 -0.05 2.41 1.01 -1.00 -4.68 121.20 119.25 1ni6 s ILE 172 Ca 0.30 -1.81 -0.18 0.00 0.00 0.00 0.00 60.65 58.96 1ni6 s ILE 172 Cb 0.16 -2.30 -0.13 0.00 0.01 0.00 0.00 42.46 40.21 1ni6 s ILE 172 CO 0.22 -0.30 0.75 0.00 0.00 0.00 0.00 174.94 175.61 1ni6 h ALA 173 N 7.77 -0.30 -2.91 9.38 0.00 -1.84 -3.42 119.26 127.93 1ni6 h ALA 173 Ca -0.13 -0.18 -0.71 0.00 0.00 0.00 0.00 54.91 53.89 1ni6 h ALA 173 Cb 1.04 0.12 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 1ni6 h ALA 173 CO 0.47 -0.34 -0.52 0.45 0.00 0.00 0.00 179.25 179.31 1ni6 s SER 174 N -5.32 5.54 0.28 0.00 0.15 -1.26 -4.97 113.70 108.13 1ni6 s SER 174 Ca -0.11 -1.34 -0.03 0.00 0.70 0.00 0.00 55.95 55.17 1ni6 s SER 174 Cb 0.00 -1.95 0.38 0.00 -1.71 0.00 0.00 66.02 62.74 1ni6 s SER 174 CO 0.38 -0.45 1.89 0.00 1.20 0.00 0.00 173.24 176.25 1ni6 h ALA 175 N 8.34 1.28 -0.20 5.45 0.00 -2.00 -1.72 119.26 130.42 1ni6 h ALA 175 Ca -0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1ni6 h ALA 175 Cb 1.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ni6 h ALA 175 CO 0.70 0.57 0.05 1.79 0.00 0.00 0.00 179.25 182.36 1ni6 h THR 176 N 1.03 1.20 -0.58 0.00 1.35 -1.99 -1.66 112.91 112.26 1ni6 h THR 176 Ca 0.26 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 1ni6 h THR 176 Cb 0.07 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 1ni6 h THR 176 CO -0.04 0.19 0.23 0.11 -0.25 0.00 0.00 175.52 175.77 1ni6 h LYS 177 N 0.14 0.84 -0.48 4.72 1.57 -1.94 -2.35 116.57 119.06 1ni6 h LYS 177 Ca 0.06 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1ni6 h LYS 177 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1ni6 h LYS 177 CO -0.00 0.68 -0.14 0.35 -0.57 0.00 0.00 179.45 179.77 1ni6 h PHE 178 N 0.83 1.07 -0.47 -1.35 3.57 -1.11 -2.69 116.94 116.78 1ni6 h PHE 178 Ca 0.20 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1ni6 h PHE 178 Cb 0.16 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1ni6 h PHE 178 CO 0.01 1.03 0.29 0.87 -2.23 0.00 0.00 178.31 178.28 1ni6 h LYS 179 N 0.80 0.63 0.00 1.11 1.57 -0.91 0.72 116.57 120.48 1ni6 h LYS 179 Ca 0.12 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1ni6 h LYS 179 Cb 0.70 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1ni6 h LYS 179 CO 0.05 0.45 -0.39 -0.56 -0.57 0.00 0.00 179.45 178.43 1ni6 h GLN 180 N 0.62 0.00 -0.13 3.15 3.07 -1.42 -0.36 115.11 120.05 1ni6 h GLN 180 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.71 1ni6 h GLN 180 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1ni6 h GLN 180 CO -0.03 0.39 -0.72 1.25 0.09 0.00 0.00 178.83 179.81 1ni6 h LEU 181 N 0.00 0.69 -0.62 0.06 5.85 -1.10 -1.87 115.31 118.32 1ni6 h LEU 181 Ca -0.00 -0.44 -0.14 0.00 0.84 0.00 0.00 57.88 58.14 1ni6 h LEU 181 Cb 0.73 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1ni6 h LEU 181 CO 0.05 1.20 -0.39 0.22 -0.34 0.00 0.00 178.44 179.19 1ni6 h TYR 182 N 0.41 0.77 -0.24 1.25 5.03 -0.41 -2.06 116.97 121.72 1ni6 h TYR 182 Ca -0.03 -0.22 -0.04 0.00 2.58 0.00 0.00 58.73 61.02 1ni6 h TYR 182 Cb 1.32 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 1ni6 h TYR 182 CO 0.06 0.94 0.00 0.00 -1.32 0.00 0.00 178.16 177.84 1ni6 h ARG 183 N 0.54 0.42 -0.18 1.82 3.08 -1.01 -0.60 114.38 118.45 1ni6 h ARG 183 Ca 0.05 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1ni6 h ARG 183 Cb 0.91 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.86 1ni6 h ARG 183 CO 0.08 0.60 -0.23 0.77 -1.07 0.00 0.00 179.97 180.12 1ni6 h SER 184 N 0.19 -0.71 -0.38 7.04 0.02 -1.22 0.69 113.55 119.17 1ni6 h SER 184 Ca 0.07 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1ni6 h SER 184 Cb 0.41 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1ni6 h SER 184 CO 0.01 -0.27 0.19 0.03 -1.14 0.00 0.00 176.83 175.65 1ni6 h ARG 185 N -0.26 0.37 -0.74 3.45 2.47 -1.30 -2.29 114.38 116.09 1ni6 h ARG 185 Ca 0.12 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 1ni6 h ARG 185 Cb 0.44 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1ni6 h ARG 185 CO -0.33 0.25 0.28 1.98 0.56 0.00 0.00 179.97 182.71 1ni6 h MET 186 N 0.38 1.10 0.00 0.04 4.05 -0.18 -2.63 114.93 117.69 1ni6 h MET 186 Ca 0.16 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1ni6 h MET 186 Cb 0.07 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1ni6 h MET 186 CO -0.11 0.90 0.00 -0.91 0.23 0.00 0.00 176.91 177.01 1ni6 h ASN 187 N 1.07 0.00 0.22 1.39 2.35 0.71 -2.54 115.58 118.78 1ni6 h ASN 187 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1ni6 h ASN 187 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ni6 h ASN 187 CO -0.02 0.00 -0.27 -1.54 -1.65 0.00 0.00 177.43 173.95 1ni6 n SER 188 N -2.91 1.08 -4.61 5.81 3.41 -0.89 -4.75 113.62 110.76 1ni6 n SER 188 Ca 0.01 -0.93 -0.43 0.00 -0.26 0.00 0.00 58.87 57.27 1ni6 n SER 188 Cb 0.33 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1ni6 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ni6 s LEU 189 N -2.50 3.55 0.10 1.04 2.96 -0.96 -4.93 118.68 117.95 1ni6 s LEU 189 Ca 0.24 1.94 -0.31 0.00 -0.22 0.00 0.00 54.13 55.78 1ni6 s LEU 189 Cb 0.19 -3.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.30 1ni6 s LEU 189 CO 0.52 -1.85 1.24 -1.61 -1.32 0.00 0.00 176.35 173.33 1ni6 s GLU 190 N 6.11 4.42 -0.01 1.98 0.41 -1.26 -5.03 118.70 125.33 1ni6 s GLU 190 Ca 0.98 1.86 -0.29 0.00 -0.41 0.00 0.00 54.97 57.10 1ni6 s GLU 190 Cb -0.33 -3.30 0.07 0.00 -1.78 0.00 0.00 34.13 28.79 1ni6 s GLU 190 CO 0.36 -0.25 0.68 0.00 -0.49 0.00 0.00 175.26 175.56 1ni6 s MET 191 N 0.76 1.08 0.94 1.61 0.23 -1.26 -4.93 119.30 117.73 1ni6 s MET 191 Ca 0.58 0.09 -0.12 0.00 -1.03 0.00 0.00 55.69 55.22 1ni6 s MET 191 Cb -0.32 0.51 0.16 0.00 -1.53 0.00 0.00 34.83 33.65 1ni6 s MET 191 CO 0.31 -0.37 1.10 0.95 -2.03 0.00 0.00 175.02 174.98 1ni6 s THR 192 N -1.75 2.34 0.11 3.16 -4.23 -1.26 -4.79 115.64 109.23 1ni6 s THR 192 Ca -0.08 0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.36 1ni6 s THR 192 Cb -0.00 -2.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1ni6 s THR 192 CO 0.05 -0.15 1.65 1.55 -0.54 0.00 0.00 174.62 177.18 1ni6 h PRO 193 N -1.69 0.44 -0.87 3.99 0.13 -2.02 -1.27 132.00 130.72 1ni6 h PRO 193 Ca -0.52 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1ni6 h PRO 193 Cb 1.31 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1ni6 h PRO 193 CO 0.57 0.47 0.57 0.00 -0.23 0.00 0.00 178.00 179.38 1ni6 h ALA 194 N 0.95 1.53 0.07 -0.56 0.00 -1.99 -1.62 119.26 117.64 1ni6 h ALA 194 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ni6 h ALA 194 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ni6 h ALA 194 CO -0.01 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.84 1ni6 h VAL 195 N 1.00 1.17 -0.65 0.00 2.07 -1.86 -1.08 116.25 116.89 1ni6 h VAL 195 Ca 0.37 -0.92 0.12 0.00 0.82 0.00 0.00 66.70 67.09 1ni6 h VAL 195 Cb 0.17 1.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 1ni6 h VAL 195 CO -0.13 0.23 0.19 -0.09 0.02 0.00 0.00 177.57 177.79 1ni6 h ARG 196 N -0.52 0.32 -0.04 1.57 2.43 -0.87 0.54 114.38 117.80 1ni6 h ARG 196 Ca -0.01 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1ni6 h ARG 196 Cb 0.45 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1ni6 h ARG 196 CO 0.02 0.21 -0.30 1.96 -1.51 0.00 0.00 179.97 180.35 1ni6 h GLN 197 N 0.33 0.08 0.00 0.20 4.20 -1.26 -1.60 115.11 117.06 1ni6 h GLN 197 Ca 0.35 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.93 1ni6 h GLN 197 Cb 0.51 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ni6 h GLN 197 CO -0.40 0.38 -0.49 -0.09 -0.67 0.00 0.00 178.83 177.57 1ni6 h ARG 198 N 0.07 0.00 -0.14 1.46 2.43 0.66 -2.19 114.38 116.66 1ni6 h ARG 198 Ca 0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1ni6 h ARG 198 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ni6 h ARG 198 CO 0.04 0.49 -0.39 0.28 -1.51 0.00 0.00 179.97 178.88 1ni6 h VAL 199 N 0.00 1.36 -0.63 0.20 2.07 0.66 0.59 116.25 120.49 1ni6 h VAL 199 Ca -0.00 -1.67 -0.08 0.00 0.82 0.00 0.00 66.70 65.77 1ni6 h VAL 199 Cb 1.22 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1ni6 h VAL 199 CO 0.06 0.50 0.10 0.40 0.02 0.00 0.00 177.57 178.66 1ni6 h ILE 200 N 0.14 1.26 -0.14 4.57 5.03 -1.31 -0.26 117.51 126.81 1ni6 h ILE 200 Ca -0.01 -1.01 -0.02 0.00 -0.12 0.00 0.00 64.86 63.70 1ni6 h ILE 200 Cb 1.01 0.66 -0.00 0.00 -3.03 0.00 0.00 36.82 35.45 1ni6 h ILE 200 CO 0.08 0.38 -0.01 -0.08 -0.68 0.00 0.00 178.15 177.84 1ni6 h GLU 201 N 0.97 0.25 -0.41 2.37 4.57 -1.34 -2.53 114.58 118.47 1ni6 h GLU 201 Ca 0.19 -0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1ni6 h GLU 201 Cb 0.42 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1ni6 h GLU 201 CO 0.01 0.50 0.28 1.49 -1.18 0.00 0.00 179.01 180.11 1ni6 h GLU 202 N -0.02 0.29 -0.56 1.92 4.57 -0.58 0.18 114.58 120.37 1ni6 h GLU 202 Ca 0.04 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1ni6 h GLU 202 Cb 0.39 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1ni6 h GLU 202 CO 0.01 0.19 0.20 0.00 -1.18 0.00 0.00 179.01 178.22 1ni6 h ALA 203 N 1.78 1.29 -0.49 2.92 0.00 -0.64 -1.50 119.26 122.63 1ni6 h ALA 203 Ca 0.18 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ni6 h ALA 203 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ni6 h ALA 203 CO -0.04 0.52 -0.19 0.87 0.00 0.00 0.00 179.25 180.41 1ni6 h LYS 204 N 0.81 0.97 -0.76 0.00 1.57 -0.34 -2.86 116.57 115.97 1ni6 h LYS 204 Ca 0.19 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ni6 h LYS 204 Cb 0.20 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1ni6 h LYS 204 CO -0.01 1.07 0.48 1.15 -0.57 0.00 0.00 179.45 181.57 1ni6 h THR 205 N 0.85 1.20 -0.68 -0.16 2.02 -0.44 -1.68 112.91 114.02 1ni6 h THR 205 Ca 0.12 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1ni6 h THR 205 Cb 0.75 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1ni6 h THR 205 CO 0.06 0.20 0.42 0.00 0.37 0.00 0.00 175.52 176.58 1ni6 h ALA 206 N 1.49 0.90 -0.23 6.16 0.00 -1.07 0.72 119.26 127.23 1ni6 h ALA 206 Ca 0.28 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1ni6 h ALA 206 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ni6 h ALA 206 CO -0.06 0.19 -0.52 0.74 0.00 0.00 0.00 179.25 179.60 1ni6 h PHE 207 N 0.83 0.81 -0.23 0.00 -1.00 -1.38 -2.97 116.94 112.99 1ni6 h PHE 207 Ca 0.28 -0.27 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1ni6 h PHE 207 Cb 0.03 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1ni6 h PHE 207 CO -0.05 1.03 -0.17 -0.07 -1.61 0.00 0.00 178.31 177.44 1ni6 h LEU 208 N 0.51 0.38 -0.67 1.54 4.07 -0.68 -1.07 115.31 119.39 1ni6 h LEU 208 Ca 0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1ni6 h LEU 208 Cb 1.07 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 1ni6 h LEU 208 CO 0.10 0.58 0.26 -0.07 -1.08 0.00 0.00 178.44 178.23 1ni6 h LEU 209 N 0.36 0.93 -0.17 1.67 3.38 -0.75 -1.73 115.31 119.00 1ni6 h LEU 209 Ca 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1ni6 h LEU 209 Cb 0.52 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ni6 h LEU 209 CO 0.03 0.86 -0.10 0.78 0.09 0.00 0.00 178.44 180.10 1ni6 h ASN 210 N 0.95 0.39 -0.30 -0.43 4.21 -1.33 -1.14 115.58 117.94 1ni6 h ASN 210 Ca 0.22 -0.42 0.05 0.00 1.21 0.00 0.00 56.30 57.36 1ni6 h ASN 210 Cb 0.22 -0.11 -0.08 0.00 -1.12 0.00 0.00 38.32 37.23 1ni6 h ASN 210 CO -0.02 0.73 -0.50 0.40 -1.29 0.00 0.00 177.43 176.75 1ni6 h ILE 211 N 0.05 0.05 -0.68 2.81 2.04 -0.99 0.38 117.51 121.16 1ni6 h ILE 211 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1ni6 h ILE 211 Cb 0.59 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1ni6 h ILE 211 CO 0.03 0.00 0.41 1.56 0.00 0.00 0.00 178.15 180.14 1ni6 h GLN 212 N -0.44 0.75 -0.11 2.37 4.20 -1.32 -1.29 115.11 119.28 1ni6 h GLN 212 Ca 0.08 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1ni6 h GLN 212 Cb 0.62 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1ni6 h GLN 212 CO -0.52 0.49 -0.24 1.25 -0.67 0.00 0.00 178.83 179.14 1ni6 h LEU 213 N 0.77 -0.75 -0.46 1.46 5.85 0.31 0.15 115.31 122.64 1ni6 h LEU 213 Ca 0.29 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.18 1ni6 h LEU 213 Cb 0.11 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1ni6 h LEU 213 CO -0.15 -0.30 0.20 -0.26 -0.34 0.00 0.00 178.44 177.60 1ni6 h PHE 214 N -0.32 0.36 -0.28 1.25 0.04 0.13 -0.72 116.94 117.40 1ni6 h PHE 214 Ca 0.09 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.92 1ni6 h PHE 214 Cb 0.46 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 1ni6 h PHE 214 CO -0.33 0.16 0.05 0.93 -0.60 0.00 0.00 178.31 178.52 1ni6 h GLU 215 N 0.40 0.14 -0.70 1.51 5.08 -0.65 -1.68 114.58 118.69 1ni6 h GLU 215 Ca 0.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1ni6 h GLU 215 Cb 0.16 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1ni6 h GLU 215 CO -0.18 0.10 0.44 1.49 -1.00 0.00 0.00 179.01 179.86 1ni6 h GLU 216 N 0.15 0.94 0.00 2.33 4.81 -0.47 -1.91 114.58 120.43 1ni6 h GLU 216 Ca 0.13 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ni6 h GLU 216 Cb 0.14 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1ni6 h GLU 216 CO -0.18 0.66 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.59 1ni6 h LEU 217 N 0.96 0.00 -0.20 1.64 3.38 -0.66 -2.05 115.31 118.38 1ni6 h LEU 217 Ca 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 1ni6 h LEU 217 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ni6 h LEU 217 CO -0.05 0.09 -0.82 -0.61 0.09 0.00 0.00 178.44 177.14 1ni6 h GLN 218 N 0.00 0.67 -0.37 1.13 5.75 -0.54 -1.21 115.11 120.53 1ni6 h GLN 218 Ca -0.00 -0.58 0.10 0.00 -0.15 0.00 0.00 58.65 58.02 1ni6 h GLN 218 Cb 0.18 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1ni6 h GLN 218 CO 0.01 1.19 0.26 0.93 -2.65 0.00 0.00 178.83 178.58 1ni6 h GLU 219 N 0.44 0.06 0.21 1.69 5.08 -0.91 0.75 114.58 121.90 1ni6 h GLU 219 Ca -0.06 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.98 1ni6 h GLU 219 Cb 1.44 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.70 1ni6 h GLU 219 CO 0.16 0.04 -1.49 -0.07 -1.00 0.00 0.00 179.01 176.65 1ni6 h LEU 220 N 0.06 0.68 -0.20 1.33 3.38 -1.31 -3.32 115.31 115.93 1ni6 h LEU 220 Ca 0.17 -0.92 -0.10 0.00 0.09 0.00 0.00 57.88 57.12 1ni6 h LEU 220 Cb 0.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1ni6 h LEU 220 CO -0.01 1.69 -0.47 -0.07 0.09 0.00 0.00 178.44 179.67 1ni6 h LEU 221 N 0.02 0.00 0.62 1.67 3.38 -0.11 -3.34 115.31 117.55 1ni6 h LEU 221 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1ni6 h LEU 221 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 1ni6 h LEU 221 CO 0.21 0.47 -0.30 0.71 0.09 0.00 0.00 178.44 179.62 1ni6 h THR 222 N 0.00 0.02 0.00 0.22 1.35 0.33 -3.51 112.91 111.32 1ni6 h THR 222 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1ni6 h THR 222 Cb 1.28 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1ni6 h THR 222 CO 0.06 0.00 0.00 1.57 -0.25 0.00 0.00 175.52 176.91