#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni6 h GLN 11 N 0.00 -1.07 -6.99 -0.52 4.15 -2.02 -3.37 115.11 105.29 1ni6 h GLN 11 Ca 0.00 0.07 -0.54 0.00 0.77 0.00 0.00 58.65 58.95 1ni6 h GLN 11 Cb 0.00 0.24 0.11 0.00 0.21 0.00 0.00 27.48 28.05 1ni6 h GLN 11 CO 0.00 -0.72 0.66 -0.51 -1.93 0.00 0.00 178.83 176.33 1ni6 s ASP 12 N -4.25 5.85 0.47 -0.69 -0.00 -1.26 -4.88 116.67 111.91 1ni6 s ASP 12 Ca -0.19 2.82 0.14 0.00 -0.00 0.00 0.00 52.55 55.33 1ni6 s ASP 12 Cb 0.04 -2.65 1.11 0.00 -0.00 0.00 0.00 42.92 41.42 1ni6 s ASP 12 CO 0.61 -1.18 2.06 0.25 -0.00 0.00 0.00 175.17 176.91 1ni6 h LEU 13 N 2.22 0.23 -0.09 1.23 5.85 -1.87 -1.96 115.31 120.91 1ni6 h LEU 13 Ca -0.51 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1ni6 h LEU 13 Cb 1.27 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1ni6 h LEU 13 CO 0.61 0.15 -0.33 0.28 -0.34 0.00 0.00 178.44 178.81 1ni6 h SER 14 N 0.26 -1.00 -0.36 1.25 0.02 -1.90 0.14 113.55 111.96 1ni6 h SER 14 Ca 0.15 0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1ni6 h SER 14 Cb 0.26 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1ni6 h SER 14 CO -0.03 -0.37 -0.00 -0.33 -1.14 0.00 0.00 176.83 174.96 1ni6 h GLU 15 N -0.43 0.63 -0.43 3.45 3.07 -1.70 -0.46 114.58 118.71 1ni6 h GLU 15 Ca 0.08 -0.20 0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1ni6 h GLU 15 Cb 0.56 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 1ni6 h GLU 15 CO -0.33 0.74 0.04 0.00 -1.40 0.00 0.00 179.01 178.07 1ni6 h ALA 16 N 0.86 0.43 -0.41 3.43 0.00 -1.03 0.06 119.26 122.61 1ni6 h ALA 16 Ca 0.10 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ni6 h ALA 16 Cb 0.46 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ni6 h ALA 16 CO 0.02 -0.36 0.12 -0.07 0.00 0.00 0.00 179.25 178.96 1ni6 h LEU 17 N 0.16 0.60 -0.57 0.00 3.38 -0.59 -1.97 115.31 116.33 1ni6 h LEU 17 Ca 0.21 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ni6 h LEU 17 Cb 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1ni6 h LEU 17 CO -0.32 0.66 0.29 0.50 0.09 0.00 0.00 178.44 179.66 1ni6 h LYS 18 N 0.52 0.54 0.15 1.13 3.64 -0.32 -1.85 116.57 120.38 1ni6 h LYS 18 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ni6 h LYS 18 Cb 0.27 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1ni6 h LYS 18 CO -0.00 0.36 -0.07 0.93 -2.27 0.00 0.00 179.45 178.39 1ni6 h GLU 19 N 0.56 -0.19 -0.07 1.90 5.08 -0.91 -2.28 114.58 118.66 1ni6 h GLU 19 Ca 0.26 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1ni6 h GLU 19 Cb 0.17 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ni6 h GLU 19 CO -0.18 0.16 0.06 0.00 -1.00 0.00 0.00 179.01 178.04 1ni6 h ALA 20 N 0.20 1.96 -0.10 3.43 0.00 -1.25 -2.69 119.26 120.81 1ni6 h ALA 20 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ni6 h ALA 20 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ni6 h ALA 20 CO 0.03 -0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.44 1ni6 n THR 21 N -4.35 0.15 -0.26 0.00 -2.24 -0.70 -4.53 114.28 102.34 1ni6 n THR 21 Ca -0.01 -0.58 0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1ni6 n THR 21 Cb 0.16 1.23 0.40 0.00 -2.10 0.00 0.00 70.33 70.02 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 3.31 0.62 0.19 -0.78 3.64 -1.05 0.73 116.57 123.23 1ni6 h LYS 22 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ni6 h LYS 22 Cb 0.73 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ni6 h LYS 22 CO 0.00 0.41 -0.09 1.49 -2.27 0.00 0.00 179.45 178.99 1ni6 h GLU 23 N 0.64 -0.24 -0.49 1.90 4.81 -1.80 -2.40 114.58 117.01 1ni6 h GLU 23 Ca 0.45 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1ni6 h GLU 23 Cb 0.79 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1ni6 h GLU 23 CO -0.20 0.16 0.01 -0.39 -0.73 0.00 0.00 179.01 177.86 1ni6 h VAL 24 N -0.85 1.24 -0.22 0.32 -1.51 -1.76 -1.72 116.25 111.75 1ni6 h VAL 24 Ca -0.03 -1.00 0.05 0.00 -1.23 0.00 0.00 66.70 64.49 1ni6 h VAL 24 Cb 0.52 0.86 -0.04 0.00 -2.13 0.00 0.00 31.29 30.50 1ni6 h VAL 24 CO 0.04 0.35 -0.07 -0.74 -1.23 0.00 0.00 177.57 175.93 1ni6 h HIS 25 N 0.75 -0.15 -0.59 5.19 -0.00 0.41 0.12 115.15 120.88 1ni6 h HIS 25 Ca 0.15 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1ni6 h HIS 25 Cb 0.45 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.93 1ni6 h HIS 25 CO 0.02 -0.12 0.28 1.15 -0.00 0.00 0.00 177.93 179.27 1ni6 h THR 26 N -0.02 1.21 -0.87 6.26 2.02 -1.15 -1.82 112.91 118.54 1ni6 h THR 26 Ca 0.11 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.77 1ni6 h THR 26 Cb 0.19 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 1ni6 h THR 26 CO -0.24 0.24 0.56 1.56 0.37 0.00 0.00 175.52 178.01 1ni6 h GLN 27 N 0.80 0.89 -0.93 6.66 4.20 -0.48 0.18 115.11 126.42 1ni6 h GLN 27 Ca 0.20 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1ni6 h GLN 27 Cb 0.13 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1ni6 h GLN 27 CO -0.02 0.59 0.56 0.00 -0.67 0.00 0.00 178.83 179.28 1ni6 h ALA 28 N 1.55 1.22 -0.02 3.87 0.00 0.03 -1.22 119.26 124.69 1ni6 h ALA 28 Ca 0.39 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1ni6 h ALA 28 Cb 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ni6 h ALA 28 CO -0.15 0.66 -0.64 0.93 0.00 0.00 0.00 179.25 180.05 1ni6 h GLU 29 N 1.29 0.09 0.00 0.00 5.08 -0.44 -3.21 114.58 117.39 1ni6 h GLU 29 Ca 0.33 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1ni6 h GLU 29 Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ni6 h GLU 29 CO -0.06 0.69 -0.51 -0.91 -1.00 0.00 0.00 179.01 177.22 1ni6 h ASN 30 N 0.06 0.00 -1.63 1.42 2.35 0.15 -3.18 115.58 114.75 1ni6 h ASN 30 Ca -0.01 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.05 1ni6 h ASN 30 Cb 1.14 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.57 1ni6 h ASN 30 CO 0.09 0.51 0.31 0.00 -1.65 0.00 0.00 177.43 176.69 1ni6 n ALA 31 N -2.31 -1.38 -0.27 -0.83 0.00 -0.55 -4.64 120.51 110.53 1ni6 n ALA 31 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 53.44 54.02 1ni6 n ALA 31 Cb 0.62 -2.00 0.18 0.00 0.00 0.00 0.00 19.45 18.25 1ni6 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni6 h GLU 32 N 3.87 0.12 0.45 0.00 4.81 -1.91 -0.11 114.58 121.81 1ni6 h GLU 32 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1ni6 h GLU 32 Cb 1.36 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1ni6 h GLU 32 CO 0.73 0.08 -0.43 0.35 -0.73 0.00 0.00 179.01 179.01 1ni6 h PHE 33 N 0.13 -1.19 0.00 0.92 3.57 -1.87 0.03 116.94 118.52 1ni6 h PHE 33 Ca 0.44 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.88 1ni6 h PHE 33 Cb 0.80 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1ni6 h PHE 33 CO -0.39 -0.60 -0.32 1.98 -2.23 0.00 0.00 178.31 176.75 1ni6 h MET 34 N -0.89 0.00 -0.11 1.11 4.05 -1.77 -1.27 114.93 116.05 1ni6 h MET 34 Ca -0.05 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1ni6 h MET 34 Cb 0.78 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1ni6 h MET 34 CO -0.06 0.32 -0.02 -0.09 0.23 0.00 0.00 176.91 177.29 1ni6 h ARG 35 N 0.00 0.20 -0.66 0.39 2.43 -0.75 -2.10 114.38 113.89 1ni6 h ARG 35 Ca -0.00 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ni6 h ARG 35 Cb 0.58 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1ni6 h ARG 35 CO 0.04 0.49 0.27 -0.91 -1.51 0.00 0.00 179.97 178.35 1ni6 h ASN 36 N -0.11 0.89 -0.53 -3.80 -0.26 -0.76 -2.06 115.58 108.94 1ni6 h ASN 36 Ca 0.03 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 1ni6 h ASN 36 Cb 0.42 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1ni6 h ASN 36 CO 0.01 0.79 0.21 0.15 -1.06 0.00 0.00 177.43 177.53 1ni6 h PHE 37 N 0.95 0.85 -0.00 1.19 3.57 -0.31 0.77 116.94 123.96 1ni6 h PHE 37 Ca 0.22 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1ni6 h PHE 37 Cb 0.18 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ni6 h PHE 37 CO 0.01 0.67 -0.09 1.04 -2.23 0.00 0.00 178.31 177.72 1ni6 n GLN 38 N -4.31 0.64 -0.24 1.11 6.02 -0.80 -3.06 117.38 116.73 1ni6 n GLN 38 Ca 0.05 -0.18 0.08 0.00 -0.01 0.00 0.00 57.00 56.94 1ni6 n GLN 38 Cb 0.18 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.15 1ni6 n GLN 38 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ni6 n LYS 39 N -1.02 2.81 0.00 -1.09 5.02 -0.57 -4.94 118.16 118.37 1ni6 n LYS 39 Ca 0.15 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1ni6 n LYS 39 Cb 0.27 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.92 1.86 3.58 0.72 0.00 -0.97 -5.01 105.19 106.29 1ni6 n GLY 40 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ni6 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ni6 s GLN 41 N -0.61 3.61 -0.29 1.61 -0.21 0.26 -4.94 119.66 119.09 1ni6 s GLN 41 Ca 0.00 0.29 -0.16 0.00 0.02 0.00 0.00 55.36 55.52 1ni6 s GLN 41 Cb 0.00 -3.91 0.14 0.00 1.00 0.00 0.00 33.01 30.24 1ni6 s GLN 41 CO 0.00 -1.23 0.94 0.54 -2.12 0.00 0.00 175.29 173.42 1ni6 s VAL 42 N 3.88 -0.03 0.51 1.09 0.11 -1.26 -1.68 120.40 123.02 1ni6 s VAL 42 Ca 0.40 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.53 1ni6 s VAL 42 Cb -0.10 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 1ni6 s VAL 42 CO 0.27 0.00 0.70 0.42 -3.33 0.00 0.00 175.10 173.15 1ni6 s THR 43 N 1.43 2.53 0.16 5.04 -4.23 -1.26 -4.75 115.64 114.55 1ni6 s THR 43 Ca -0.09 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.33 1ni6 s THR 43 Cb -0.04 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1ni6 s THR 43 CO -0.16 0.00 1.55 -0.09 -0.54 0.00 0.00 174.62 175.39 1ni6 h ARG 44 N 0.37 1.00 -0.29 3.99 2.43 -1.93 0.66 114.38 120.61 1ni6 h ARG 44 Ca -0.34 -0.42 -0.09 0.00 -0.81 0.00 0.00 59.98 58.31 1ni6 h ARG 44 Cb 1.28 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1ni6 h ARG 44 CO 0.43 1.10 -0.22 -0.44 -1.51 0.00 0.00 179.97 179.32 1ni6 h ASP 45 N 0.86 0.54 -0.07 -3.80 3.32 -1.99 -1.21 116.42 114.06 1ni6 h ASP 45 Ca 0.11 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1ni6 h ASP 45 Cb 0.78 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1ni6 h ASP 45 CO 0.06 0.76 -0.12 1.23 -1.72 0.00 0.00 179.24 179.46 1ni6 h GLY 46 N 1.00 0.22 0.81 2.75 0.00 -1.90 -2.72 103.07 103.23 1ni6 h GLY 46 Ca 0.07 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1ni6 h GLY 46 CO 0.05 0.23 0.59 -2.75 0.00 0.00 0.00 176.54 174.66 1ni6 h PHE 47 N -0.27 1.11 -0.53 5.60 3.57 -0.70 -2.09 116.94 123.64 1ni6 h PHE 47 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ni6 h PHE 47 Cb 0.68 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1ni6 h PHE 47 CO 0.11 0.61 0.28 0.87 -2.23 0.00 0.00 178.31 177.95 1ni6 h LYS 48 N 1.12 0.74 -0.96 1.11 1.57 -1.23 -2.09 116.57 116.83 1ni6 h LYS 48 Ca 0.38 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1ni6 h LYS 48 Cb 0.08 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1ni6 h LYS 48 CO -0.14 0.58 0.63 -0.07 -0.57 0.00 0.00 179.45 179.88 1ni6 h LEU 49 N 0.71 1.09 -0.57 2.94 3.38 -1.06 0.75 115.31 122.54 1ni6 h LEU 49 Ca 0.19 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 1ni6 h LEU 49 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ni6 h LEU 49 CO -0.03 0.78 -0.64 -0.37 0.09 0.00 0.00 178.44 178.27 1ni6 h VAL 50 N 1.28 1.39 -0.19 1.22 -1.51 -1.25 -0.87 116.25 116.33 1ni6 h VAL 50 Ca 0.35 -2.05 -0.16 0.00 -1.23 0.00 0.00 66.70 63.62 1ni6 h VAL 50 Cb -0.13 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1ni6 h VAL 50 CO -0.08 0.61 -0.54 0.24 -1.23 0.00 0.00 177.57 176.56 1ni6 h MET 51 N 0.21 0.56 -0.23 5.19 2.86 -0.97 0.80 114.93 123.35 1ni6 h MET 51 Ca -0.01 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1ni6 h MET 51 Cb 1.18 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1ni6 h MET 51 CO 0.10 0.96 0.02 0.00 1.06 0.00 0.00 176.91 179.05 1ni6 h ALA 52 N 0.97 0.31 0.01 6.32 0.00 -0.70 -0.97 119.26 125.20 1ni6 h ALA 52 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ni6 h ALA 52 Cb 1.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1ni6 h ALA 52 CO 0.10 0.01 -0.19 0.77 0.00 0.00 0.00 179.25 179.95 1ni6 h SER 53 N 0.18 -0.54 -0.92 0.00 0.02 -0.97 -1.81 113.55 109.51 1ni6 h SER 53 Ca 0.07 0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 1ni6 h SER 53 Cb 0.37 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.06 1ni6 h SER 53 CO 0.01 -0.25 0.59 -0.07 -1.14 0.00 0.00 176.83 175.97 1ni6 h LEU 54 N -0.30 0.81 -0.02 5.07 3.38 -0.68 -0.39 115.31 123.17 1ni6 h LEU 54 Ca 0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ni6 h LEU 54 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ni6 h LEU 54 CO -0.17 0.45 0.01 0.22 0.09 0.00 0.00 178.44 179.04 1ni6 h TYR 55 N 0.88 0.03 -0.51 1.13 3.20 -0.36 0.24 116.97 121.57 1ni6 h TYR 55 Ca 0.44 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.28 1ni6 h TYR 55 Cb 0.49 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1ni6 h TYR 55 CO -0.00 0.12 0.22 0.45 -1.64 0.00 0.00 178.16 177.31 1ni6 h HIS 56 N -0.07 0.76 0.38 -3.82 3.86 -0.73 0.39 115.15 115.92 1ni6 h HIS 56 Ca 0.01 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1ni6 h HIS 56 Cb 0.10 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1ni6 h HIS 56 CO -0.04 0.62 -0.21 0.82 0.86 0.00 0.00 177.93 179.98 1ni6 h ILE 57 N 0.68 0.57 -0.14 2.45 2.04 -0.97 -1.71 117.51 120.44 1ni6 h ILE 57 Ca 0.17 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 1ni6 h ILE 57 Cb 0.17 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1ni6 h ILE 57 CO -0.02 0.00 -0.18 1.88 0.00 0.00 0.00 178.15 179.84 1ni6 h TYR 58 N -0.54 0.24 -0.29 1.37 0.05 -0.89 0.60 116.97 117.51 1ni6 h TYR 58 Ca -0.05 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 1ni6 h TYR 58 Cb 0.43 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1ni6 h TYR 58 CO -0.07 0.40 0.09 0.28 -1.05 0.00 0.00 178.16 177.81 1ni6 h VAL 59 N 0.21 1.20 -0.13 -2.88 2.07 -0.68 -0.30 116.25 115.73 1ni6 h VAL 59 Ca 0.04 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1ni6 h VAL 59 Cb 0.44 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1ni6 h VAL 59 CO 0.03 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.84 1ni6 h ALA 60 N 0.93 0.18 0.23 1.67 0.00 -0.89 -2.13 119.26 119.24 1ni6 h ALA 60 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ni6 h ALA 60 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ni6 h ALA 60 CO -0.00 -0.14 -0.12 1.25 0.00 0.00 0.00 179.25 180.24 1ni6 h LEU 61 N -0.03 -0.28 -1.75 0.00 5.85 -0.86 -1.92 115.31 116.32 1ni6 h LEU 61 Ca 0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ni6 h LEU 61 Cb 0.35 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1ni6 h LEU 61 CO 0.01 -0.20 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.45 1ni6 h GLU 62 N -0.32 0.00 -0.08 1.25 5.08 -1.08 0.17 114.58 119.60 1ni6 h GLU 62 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1ni6 h GLU 62 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ni6 h GLU 62 CO 0.04 0.13 -0.37 1.49 -1.00 0.00 0.00 179.01 179.30 1ni6 h GLU 63 N 0.00 0.40 -0.28 2.33 4.81 -1.18 -1.88 114.58 118.77 1ni6 h GLU 63 Ca -0.00 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 1ni6 h GLU 63 Cb 0.43 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ni6 h GLU 63 CO 0.02 0.95 -0.20 0.93 -0.73 0.00 0.00 179.01 179.98 1ni6 h GLU 64 N -0.06 0.52 -0.29 1.92 4.39 -0.65 -2.01 114.58 118.39 1ni6 h GLU 64 Ca -0.02 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1ni6 h GLU 64 Cb 1.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1ni6 h GLU 64 CO 0.08 0.69 0.11 0.82 -1.16 0.00 0.00 179.01 179.55 1ni6 h ILE 65 N 0.46 1.18 0.00 3.13 2.04 -0.67 -2.34 117.51 121.32 1ni6 h ILE 65 Ca 0.07 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1ni6 h ILE 65 Cb 0.61 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1ni6 h ILE 65 CO 0.04 0.19 -0.16 -0.33 0.00 0.00 0.00 178.15 177.89 1ni6 h GLU 66 N 0.33 0.00 0.00 2.37 4.39 -1.08 0.12 114.58 120.71 1ni6 h GLU 66 Ca 0.10 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 1ni6 h GLU 66 Cb 0.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1ni6 h GLU 66 CO -0.01 0.16 -0.59 -0.09 -1.16 0.00 0.00 179.01 177.32 1ni6 h ARG 67 N 0.00 0.00 0.00 2.33 2.43 -0.94 -3.28 114.38 114.92 1ni6 h ARG 67 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ni6 h ARG 67 Cb 0.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1ni6 h ARG 67 CO 0.02 0.59 -0.19 0.09 -1.51 0.00 0.00 179.97 178.97 1ni6 n ASN 68 N -3.68 2.03 0.14 -3.80 4.13 -0.84 -4.80 115.26 108.43 1ni6 n ASN 68 Ca -0.01 -3.26 0.07 0.00 1.68 0.00 0.00 54.58 53.06 1ni6 n ASN 68 Cb 0.62 -0.45 0.55 0.00 -1.54 0.00 0.00 39.78 38.96 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 0.32 0.23 -0.10 3.52 2.10 -0.84 -2.39 116.57 119.41 1ni6 h LYS 69 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ni6 h LYS 69 Cb 1.04 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1ni6 h LYS 69 CO 0.00 0.15 0.00 0.39 -2.00 0.00 0.00 179.45 178.00 1ni6 n GLU 70 N -4.51 2.08 -2.68 0.07 1.02 -1.26 -3.62 120.64 111.74 1ni6 n GLU 70 Ca 0.00 -1.58 -0.38 0.00 -0.02 0.00 0.00 57.16 55.18 1ni6 n GLU 70 Cb 0.10 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.86 7.28 0.58 1.62 0.15 -0.90 -4.83 113.70 115.75 1ni6 s SER 71 Ca 0.33 1.97 0.28 0.00 0.70 0.00 0.00 55.95 59.23 1ni6 s SER 71 Cb 0.20 -2.60 1.70 0.00 -1.71 0.00 0.00 66.02 63.62 1ni6 s SER 71 CO 0.31 -0.11 2.19 1.55 1.20 0.00 0.00 173.24 178.38 1ni6 h PRO 72 N 3.36 0.00 0.00 5.44 0.13 -1.91 0.19 132.00 139.21 1ni6 h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ni6 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ni6 h PRO 72 CO 0.65 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.75 1ni6 n VAL 73 N -3.93 0.09 0.00 1.56 0.24 -1.26 -4.23 118.33 110.80 1ni6 n VAL 73 Ca -0.01 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1ni6 n VAL 73 Cb 0.17 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1ni6 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ni6 n PHE 74 N -1.12 0.00 -0.36 6.34 7.35 -0.73 -4.76 117.46 124.19 1ni6 n PHE 74 Ca 0.16 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.92 1ni6 n PHE 74 Cb 0.13 0.00 0.16 0.00 0.35 0.00 0.00 39.48 40.12 1ni6 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ni6 h ALA 75 N 0.00 0.72 -0.15 3.13 0.00 -0.72 0.30 119.26 122.53 1ni6 h ALA 75 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1ni6 h ALA 75 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ni6 h ALA 75 CO 0.00 -0.40 0.31 -1.35 0.00 0.00 0.00 179.25 177.80 1ni6 h PRO 76 N 0.00 0.00 -0.23 0.00 0.11 -1.83 -0.53 132.00 129.53 1ni6 h PRO 76 Ca 0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.54 1ni6 h PRO 76 Cb 0.79 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1ni6 h PRO 76 CO -1.01 0.00 -0.06 1.33 -0.21 0.00 0.00 178.00 178.05 1ni6 n VAL 77 N -3.33 2.31 -3.06 3.15 0.24 0.10 -4.74 118.33 113.00 1ni6 n VAL 77 Ca 0.01 -2.33 -0.43 0.00 -2.04 0.00 0.00 64.34 59.54 1ni6 n VAL 77 Cb 0.41 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.45 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 -3.01 2.97 -0.51 6.34 5.04 -0.21 -4.92 117.35 123.05 1ni6 s TYR 78 Ca 0.41 -0.37 0.07 0.00 -2.44 0.00 0.00 57.07 54.74 1ni6 s TYR 78 Cb 0.35 -3.69 0.27 0.00 0.35 0.00 0.00 41.96 39.24 1ni6 s TYR 78 CO 0.04 -1.12 0.67 1.19 -1.34 0.00 0.00 175.55 174.98 1ni6 n PHE 79 N 6.56 1.71 0.01 4.97 3.72 -1.26 -4.99 117.46 128.19 1ni6 n PHE 79 Ca -0.04 -3.87 -0.11 0.00 -0.05 0.00 0.00 57.45 53.38 1ni6 n PHE 79 Cb 0.46 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 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 3.89 -0.42 -0.54 -1.08 0.13 -1.98 -1.90 132.00 130.09 1ni6 h PRO 80 Ca 0.13 0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1ni6 h PRO 80 Cb 0.77 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 1ni6 h PRO 80 CO 0.65 -0.28 0.35 0.93 -0.23 0.00 0.00 178.00 179.42 1ni6 h GLU 81 N -0.44 0.70 -0.12 0.86 4.39 -1.97 -0.60 114.58 117.39 1ni6 h GLU 81 Ca 0.08 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1ni6 h GLU 81 Cb 0.57 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ni6 h GLU 81 CO -0.35 0.46 -0.50 0.93 -1.16 0.00 0.00 179.01 178.39 1ni6 h GLU 82 N 0.72 0.33 0.00 2.33 3.07 -1.80 -3.40 114.58 115.83 1ni6 h GLU 82 Ca 0.20 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1ni6 h GLU 82 Cb -0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1ni6 h GLU 82 CO -0.05 0.76 -1.49 1.28 -1.40 0.00 0.00 179.01 178.11 1ni6 n LEU 83 N -3.96 0.00 -4.57 1.33 4.77 -0.72 -4.48 117.00 109.37 1ni6 n LEU 83 Ca -0.02 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.44 1ni6 n LEU 83 Cb 0.56 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1ni6 n LEU 83 CO 0.44 0.07 0.77 0.00 -1.33 0.00 0.00 177.39 177.34 1ni6 n HIS 84 N -1.99 1.25 0.01 -1.77 1.44 -0.24 -4.89 115.22 109.03 1ni6 n HIS 84 Ca -0.06 0.73 0.02 0.00 -2.01 0.00 0.00 57.72 56.40 1ni6 n HIS 84 Cb 0.42 -2.27 -0.03 0.00 0.12 0.00 0.00 29.99 28.23 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 2.10 0.35 -0.14 -1.40 5.12 -1.26 -4.79 116.66 116.64 1ni6 n ARG 85 Ca 0.18 -0.04 -0.07 0.00 -1.93 0.00 0.00 57.85 55.99 1ni6 n ARG 85 Cb 0.19 -1.08 -0.01 0.00 -1.16 0.00 0.00 32.46 30.40 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 -0.22 -0.71 5.56 3.64 -1.90 -0.20 116.57 122.73 1ni6 h LYS 86 Ca 0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1ni6 h LYS 86 Cb 0.18 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1ni6 h LYS 86 CO 0.00 -0.15 0.44 0.00 -2.27 0.00 0.00 179.45 177.47 1ni6 h ALA 87 N 0.80 0.94 -0.73 5.00 0.00 -1.99 0.55 119.26 123.83 1ni6 h ALA 87 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ni6 h ALA 87 Cb 0.54 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ni6 h ALA 87 CO -0.58 0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.29 1ni6 h ALA 88 N 1.32 0.93 -0.24 0.00 0.00 -1.61 -1.37 119.26 118.29 1ni6 h ALA 88 Ca 0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1ni6 h ALA 88 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ni6 h ALA 88 CO -0.13 0.41 -0.23 -0.07 0.00 0.00 0.00 179.25 179.23 1ni6 h LEU 89 N 0.99 0.45 -0.67 0.00 3.38 -0.24 -1.83 115.31 117.39 1ni6 h LEU 89 Ca 0.26 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1ni6 h LEU 89 Cb -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ni6 h LEU 89 CO -0.05 0.69 0.05 -0.33 0.09 0.00 0.00 178.44 178.90 1ni6 h GLU 90 N 0.41 1.08 -0.15 1.13 5.08 -0.38 -0.74 114.58 121.01 1ni6 h GLU 90 Ca 0.06 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1ni6 h GLU 90 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ni6 h GLU 90 CO 0.04 1.02 0.08 0.37 -1.00 0.00 0.00 179.01 179.52 1ni6 h GLN 91 N 1.00 0.16 -0.41 2.33 5.75 -0.88 -2.22 115.11 120.83 1ni6 h GLN 91 Ca 0.19 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.57 1ni6 h GLN 91 Cb 0.50 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1ni6 h GLN 91 CO 0.02 0.11 -0.15 -0.44 -2.65 0.00 0.00 178.83 175.71 1ni6 h ASP 92 N 0.17 0.85 -0.40 -0.69 3.45 -1.11 -3.14 116.42 115.54 1ni6 h ASP 92 Ca 0.06 -0.39 -0.09 0.00 0.43 0.00 0.00 57.03 57.05 1ni6 h ASP 92 Cb 0.01 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 1ni6 h ASP 92 CO -0.04 1.04 -0.05 -0.07 -1.57 0.00 0.00 179.24 178.56 1ni6 h LEU 93 N 0.65 0.81 -2.21 1.55 3.38 -1.08 -0.39 115.31 118.02 1ni6 h LEU 93 Ca 0.10 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1ni6 h LEU 93 Cb 0.70 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ni6 h LEU 93 CO 0.05 0.90 0.07 0.00 0.09 0.00 0.00 178.44 179.55 1ni6 h ALA 94 N 1.18 1.84 0.09 1.53 0.00 -1.40 0.68 119.26 123.18 1ni6 h ALA 94 Ca 0.14 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1ni6 h ALA 94 Cb 0.53 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ni6 h ALA 94 CO 0.03 -0.10 -0.83 0.35 0.00 0.00 0.00 179.25 178.70 1ni6 h PHE 95 N 0.00 0.35 0.02 0.00 3.57 -1.19 -1.92 116.94 117.77 1ni6 h PHE 95 Ca 0.04 -0.25 -0.24 0.00 3.53 0.00 0.00 57.97 61.04 1ni6 h PHE 95 Cb 0.17 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.90 1ni6 h PHE 95 CO 0.00 1.32 -1.01 -1.49 -2.23 0.00 0.00 178.31 174.90 1ni6 h TRP 96 N -0.55 0.72 -0.01 0.41 4.06 -0.62 -3.35 115.95 116.61 1ni6 h TRP 96 Ca -0.17 -0.41 0.00 0.00 2.06 0.00 0.00 58.89 60.37 1ni6 h TRP 96 Cb 1.50 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.58 1ni6 h TRP 96 CO 0.19 1.24 -0.20 0.66 -3.56 0.00 0.00 178.44 176.77 1ni6 n TYR 97 N -3.75 0.00 0.00 0.49 4.01 0.23 -5.08 117.16 113.06 1ni6 n TYR 97 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1ni6 n TYR 97 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 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 1.00 -0.43 0.37 2.72 0.00 -0.72 -4.08 105.19 104.04 1ni6 n GLY 98 Ca 0.07 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.44 1ni6 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ni6 h PRO 99 N 0.00 0.17 -0.74 1.61 0.13 -1.92 -1.98 132.00 129.27 1ni6 h PRO 99 Ca 0.00 -0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.69 1ni6 h PRO 99 Cb 0.00 -0.04 -0.25 0.00 0.13 0.00 0.00 31.00 30.85 1ni6 h PRO 99 CO 0.00 0.11 0.28 0.54 -0.23 0.00 0.00 178.00 178.70 1ni6 n ARG 100 N -4.42 2.32 -0.33 0.86 1.74 -1.26 -4.74 116.66 110.83 1ni6 n ARG 100 Ca 0.11 -3.25 0.13 0.00 -0.77 0.00 0.00 57.85 54.07 1ni6 n ARG 100 Cb 0.54 -2.08 0.32 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.32 0.91 -0.16 -1.55 5.08 -1.50 0.62 115.95 120.68 1ni6 h TRP 101 Ca 0.46 0.04 0.04 0.00 1.08 0.00 0.00 58.89 60.51 1ni6 h TRP 101 Cb 1.89 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 27.79 1ni6 h TRP 101 CO 1.30 0.12 0.15 1.96 -1.28 0.00 0.00 178.44 180.68 1ni6 h GLN 102 N 0.61 0.00 0.00 0.12 4.20 -1.87 0.48 115.11 118.65 1ni6 h GLN 102 Ca 0.57 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.24 1ni6 h GLN 102 Cb 0.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1ni6 h GLN 102 CO -0.44 0.00 -0.87 1.49 -0.67 0.00 0.00 178.83 178.34 1ni6 h GLU 103 N 0.00 0.00 0.00 1.46 4.81 -1.26 -3.40 114.58 116.19 1ni6 h GLU 103 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ni6 h GLU 103 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1ni6 h GLU 103 CO -0.00 0.11 -0.57 1.33 -0.73 0.00 0.00 179.01 179.15 1ni6 n VAL 104 N -2.84 0.00 -1.93 0.32 0.24 -0.44 -5.04 118.33 108.63 1ni6 n VAL 104 Ca -0.01 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.34 61.60 1ni6 n VAL 104 Cb 0.62 0.82 0.02 0.00 -1.47 0.00 0.00 33.84 33.83 1ni6 n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1ni6 s ILE 105 N -1.81 2.37 0.63 1.34 -4.36 0.03 -4.97 121.20 114.43 1ni6 s ILE 105 Ca 0.01 0.30 -0.16 0.00 -0.26 0.00 0.00 60.65 60.55 1ni6 s ILE 105 Cb 0.04 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 1ni6 s ILE 105 CO 0.25 0.02 1.10 -2.16 0.24 0.00 0.00 174.94 174.38 1ni6 s PRO 106 N -2.63 3.00 -0.47 0.37 0.04 -1.26 -5.00 135.00 129.05 1ni6 s PRO 106 Ca 0.65 1.36 0.06 0.00 0.04 0.00 0.00 61.00 63.10 1ni6 s PRO 106 Cb -0.38 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 32.37 1ni6 s PRO 106 CO 0.47 -1.09 0.59 0.98 0.04 0.00 0.00 177.00 178.00 1ni6 n TYR 107 N -2.20 -2.51 -1.43 0.56 9.36 -1.26 -4.85 117.16 114.82 1ni6 n TYR 107 Ca 0.10 -2.25 -0.29 0.00 3.32 0.00 0.00 57.90 58.78 1ni6 n TYR 107 Cb 0.52 0.93 0.15 0.00 -0.63 0.00 0.00 39.34 40.31 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 0.41 1.98 0.37 2.97 -4.23 -1.26 -4.80 115.64 111.07 1ni6 s THR 108 Ca 0.32 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1ni6 s THR 108 Cb 0.05 -2.68 0.12 0.00 1.34 0.00 0.00 72.50 71.33 1ni6 s THR 108 CO -0.13 0.00 1.86 1.55 -0.54 0.00 0.00 174.62 177.36 1ni6 h PRO 109 N -1.67 0.18 -0.11 3.99 0.13 -2.01 -0.38 132.00 132.13 1ni6 h PRO 109 Ca -0.51 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 64.42 1ni6 h PRO 109 Cb 1.33 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1ni6 h PRO 109 CO 0.59 0.42 -0.55 0.00 -0.23 0.00 0.00 178.00 178.23 1ni6 h ALA 110 N 1.59 0.87 -0.26 -0.56 0.00 -1.94 0.13 119.26 119.09 1ni6 h ALA 110 Ca 0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1ni6 h ALA 110 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ni6 h ALA 110 CO 0.04 0.69 -0.26 0.52 0.00 0.00 0.00 179.25 180.24 1ni6 h MET 111 N 0.25 0.64 -0.33 0.00 2.86 -1.82 -2.44 114.93 114.09 1ni6 h MET 111 Ca 0.00 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.22 1ni6 h MET 111 Cb 1.04 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1ni6 h MET 111 CO 0.09 0.94 -0.17 0.37 1.06 0.00 0.00 176.91 179.20 1ni6 h GLN 112 N 0.36 0.59 -0.38 1.72 4.15 -0.91 -0.84 115.11 119.80 1ni6 h GLN 112 Ca 0.04 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1ni6 h GLN 112 Cb 0.82 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1ni6 h GLN 112 CO 0.06 0.73 0.10 0.00 -1.93 0.00 0.00 178.83 177.80 1ni6 h ARG 113 N 0.53 0.60 -0.03 1.69 3.08 -0.93 0.27 114.38 119.59 1ni6 h ARG 113 Ca 0.09 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ni6 h ARG 113 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1ni6 h ARG 113 CO 0.04 0.63 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.61 1ni6 h TYR 114 N 0.47 -0.10 -0.69 3.04 5.03 -1.19 -1.99 116.97 121.54 1ni6 h TYR 114 Ca 0.12 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 1ni6 h TYR 114 Cb 0.29 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 1ni6 h TYR 114 CO 0.01 -0.07 0.32 0.28 -1.32 0.00 0.00 178.16 177.39 1ni6 h VAL 115 N -0.06 1.23 -0.38 1.81 2.07 -0.93 -2.64 116.25 117.34 1ni6 h VAL 115 Ca 0.03 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ni6 h VAL 115 Cb 0.10 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1ni6 h VAL 115 CO -0.07 0.27 0.25 0.50 0.02 0.00 0.00 177.57 178.55 1ni6 h LYS 116 N 0.98 0.51 -0.51 1.57 1.63 -0.08 -2.60 116.57 118.07 1ni6 h LYS 116 Ca 0.24 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1ni6 h LYS 116 Cb 0.12 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1ni6 h LYS 116 CO -0.03 0.34 0.29 -0.09 -3.45 0.00 0.00 179.45 176.51 1ni6 h ARG 117 N 0.52 0.71 -0.28 1.90 9.65 -1.14 -1.52 114.38 124.22 1ni6 h ARG 117 Ca 0.14 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 1ni6 h ARG 117 Cb -0.06 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.34 1ni6 h ARG 117 CO -0.03 0.54 0.04 -0.07 2.80 0.00 0.00 179.97 183.25 1ni6 h LEU 118 N 0.69 -0.03 -1.04 3.80 4.07 -1.25 -0.20 115.31 121.35 1ni6 h LEU 118 Ca 0.18 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 1ni6 h LEU 118 Cb 0.03 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1ni6 h LEU 118 CO -0.03 0.02 -0.11 0.45 -1.08 0.00 0.00 178.44 177.68 1ni6 h HIS 119 N 0.13 0.60 -0.04 1.13 3.86 -1.34 -0.27 115.15 119.22 1ni6 h HIS 119 Ca 0.13 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ni6 h HIS 119 Cb 0.15 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1ni6 h HIS 119 CO -0.18 0.65 0.02 1.49 0.86 0.00 0.00 177.93 180.77 1ni6 h GLU 120 N 0.51 0.06 0.12 2.45 4.81 -0.64 -0.53 114.58 121.37 1ni6 h GLU 120 Ca 0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ni6 h GLU 120 Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ni6 h GLU 120 CO 0.03 0.23 -0.06 0.28 -0.73 0.00 0.00 179.01 178.76 1ni6 h VAL 121 N -0.11 0.90 -0.30 0.32 2.07 -0.85 0.11 116.25 118.39 1ni6 h VAL 121 Ca 0.01 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ni6 h VAL 121 Cb 0.19 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1ni6 h VAL 121 CO -0.00 0.01 0.19 1.23 0.02 0.00 0.00 177.57 179.02 1ni6 h GLY 122 N -0.19 0.43 0.70 2.17 0.00 -0.99 0.22 103.07 105.43 1ni6 h GLY 122 Ca -0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 47.33 46.82 1ni6 h GLY 122 CO 0.03 0.16 -1.68 3.21 0.00 0.00 0.00 176.54 178.26 1ni6 h ARG 123 N 0.41 0.31 0.00 4.80 3.08 -0.88 -3.39 114.38 118.71 1ni6 h ARG 123 Ca 0.11 -0.52 -0.26 0.00 0.07 0.00 0.00 59.98 59.38 1ni6 h ARG 123 Cb -0.02 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1ni6 h ARG 123 CO -0.02 1.25 -2.11 2.41 -1.07 0.00 0.00 179.97 180.43 1ni6 n THR 124 N -3.71 0.97 -3.19 2.04 -1.04 0.37 -4.77 114.28 104.96 1ni6 n THR 124 Ca -0.27 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.05 60.86 1ni6 n THR 124 Cb 1.00 -0.44 -0.05 0.00 -1.82 0.00 0.00 70.33 69.02 1ni6 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ni6 n GLU 125 N -2.55 1.00 -0.21 -2.82 1.02 0.68 -4.96 120.64 112.80 1ni6 n GLU 125 Ca -0.24 -3.41 0.31 0.00 -0.02 0.00 0.00 57.16 53.80 1ni6 n GLU 125 Cb 0.96 -1.56 0.70 0.00 -0.02 0.00 0.00 31.44 31.52 1ni6 n GLU 125 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1ni6 h PRO 126 N 3.39 0.00 0.00 3.49 0.11 -1.45 -0.25 132.00 137.29 1ni6 h PRO 126 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1ni6 h PRO 126 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ni6 h PRO 126 CO 0.51 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.20 1ni6 h GLU 127 N 0.00 0.00 0.00 1.05 3.07 -1.85 -2.34 114.58 114.50 1ni6 h GLU 127 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1ni6 h GLU 127 Cb 2.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.04 1ni6 h GLU 127 CO -0.00 0.03 -0.59 1.28 -1.40 0.00 0.00 179.01 178.32 1ni6 n LEU 128 N -3.44 0.59 -0.14 1.33 4.77 -0.11 -4.20 117.00 115.81 1ni6 n LEU 128 Ca -0.02 -0.09 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1ni6 n LEU 128 Cb 0.14 -0.20 0.45 0.00 -2.33 0.00 0.00 43.42 41.47 1ni6 n LEU 128 CO 0.25 0.15 1.20 0.25 -1.33 0.00 0.00 177.39 177.91 1ni6 h LEU 129 N 0.00 0.48 -0.93 2.23 5.85 -1.55 -1.20 115.31 120.19 1ni6 h LEU 129 Ca 0.00 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.91 1ni6 h LEU 129 Cb 0.50 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.34 1ni6 h LEU 129 CO 0.00 0.29 0.51 0.58 -0.34 0.00 0.00 178.44 179.48 1ni6 h VAL 130 N 0.53 0.67 -0.60 1.05 2.07 -1.77 0.43 116.25 118.64 1ni6 h VAL 130 Ca 0.31 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1ni6 h VAL 130 Cb 0.52 -0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1ni6 h VAL 130 CO -0.10 0.12 0.24 0.00 0.02 0.00 0.00 177.57 177.84 1ni6 h ALA 131 N 1.62 0.77 -0.06 1.67 0.00 -1.50 0.14 119.26 121.90 1ni6 h ALA 131 Ca 0.53 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.35 1ni6 h ALA 131 Cb 0.84 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ni6 h ALA 131 CO -0.40 -0.17 -0.62 0.45 0.00 0.00 0.00 179.25 178.51 1ni6 h HIS 132 N 0.43 0.75 -0.41 0.00 -0.00 -1.10 -2.99 115.15 111.83 1ni6 h HIS 132 Ca 0.29 -0.36 -0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1ni6 h HIS 132 Cb 0.34 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1ni6 h HIS 132 CO -0.15 1.16 0.25 0.00 -0.00 0.00 0.00 177.93 179.19 1ni6 h ALA 133 N 0.42 0.52 0.43 2.45 0.00 -0.67 -0.55 119.26 121.86 1ni6 h ALA 133 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ni6 h ALA 133 Cb 1.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ni6 h ALA 133 CO 0.13 0.01 -0.21 -0.92 0.00 0.00 0.00 179.25 178.26 1ni6 h TYR 134 N 0.53 -0.53 -0.51 0.00 3.20 -0.84 -1.49 116.97 117.33 1ni6 h TYR 134 Ca 0.15 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 1ni6 h TYR 134 Cb -0.00 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1ni6 h TYR 134 CO -0.04 -0.27 -0.17 1.79 -1.64 0.00 0.00 178.16 177.83 1ni6 h THR 135 N -0.68 1.27 0.55 1.81 1.35 -1.51 -2.49 112.91 113.21 1ni6 h THR 135 Ca -0.06 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 1ni6 h THR 135 Cb 0.50 1.05 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1ni6 h THR 135 CO 0.10 0.47 -0.26 0.03 -0.25 0.00 0.00 175.52 175.60 1ni6 h ARG 136 N 0.89 -0.71 0.39 4.72 2.47 -1.15 -2.45 114.38 118.54 1ni6 h ARG 136 Ca 0.12 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1ni6 h ARG 136 Cb 0.75 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1ni6 h ARG 136 CO 0.06 -0.48 -0.20 1.88 0.56 0.00 0.00 179.97 181.79 1ni6 h TYR 137 N -1.12 -0.53 0.00 3.04 0.05 -1.37 0.18 116.97 117.22 1ni6 h TYR 137 Ca -0.08 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1ni6 h TYR 137 Cb 0.57 0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.49 1ni6 h TYR 137 CO 0.01 -0.32 -0.00 -0.07 -1.05 0.00 0.00 178.16 176.73 1ni6 h LEU 138 N -0.55 0.00 -0.11 3.88 -0.00 -1.60 0.46 115.31 117.39 1ni6 h LEU 138 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 1ni6 h LEU 138 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1ni6 h LEU 138 CO 0.08 0.00 -0.14 1.23 -0.00 0.00 0.00 178.44 179.60 1ni6 h GLY 139 N 0.00 0.32 1.68 0.83 0.00 -1.38 -1.53 103.07 102.99 1ni6 h GLY 139 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1ni6 h GLY 139 CO 0.00 0.31 -0.42 -0.55 0.00 0.00 0.00 176.54 175.88 1ni6 h ASP 140 N -0.12 0.38 -0.35 0.19 3.32 -0.11 -2.02 116.42 117.71 1ni6 h ASP 140 Ca 0.01 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1ni6 h ASP 140 Cb 0.69 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ni6 h ASP 140 CO 0.03 0.76 0.08 0.25 -1.72 0.00 0.00 179.24 178.64 1ni6 h LEU 141 N 0.29 0.54 -0.42 1.55 5.85 -0.10 0.14 115.31 123.15 1ni6 h LEU 141 Ca 0.02 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1ni6 h LEU 141 Cb 0.87 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1ni6 h LEU 141 CO 0.07 0.64 0.03 0.28 -0.34 0.00 0.00 178.44 179.12 1ni6 h SER 142 N 0.41 0.71 -0.32 1.25 0.02 -1.12 -3.15 113.55 111.34 1ni6 h SER 142 Ca 0.11 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1ni6 h SER 142 Cb 0.32 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ni6 h SER 142 CO 0.00 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 1ni6 n GLY 143 N -0.42 1.23 0.41 -3.77 0.00 -0.77 -4.62 105.19 97.24 1ni6 n GLY 143 Ca -0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1ni6 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ni6 h GLY 144 N 4.73 -1.17 1.26 -0.02 0.00 -0.92 -2.39 103.07 104.56 1ni6 h GLY 144 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.91 1ni6 h GLY 144 CO 0.00 -0.34 0.46 1.46 0.00 0.00 0.00 176.54 178.12 1ni6 h GLN 145 N -0.77 0.87 -0.11 4.80 1.08 -1.80 -1.15 115.11 118.03 1ni6 h GLN 145 Ca -0.04 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1ni6 h GLN 145 Cb 0.69 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1ni6 h GLN 145 CO -0.10 0.58 0.02 0.28 -0.95 0.00 0.00 178.83 178.66 1ni6 h VAL 146 N 0.90 1.20 -0.22 -0.54 2.07 -1.84 -2.02 116.25 115.79 1ni6 h VAL 146 Ca 0.27 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 1ni6 h VAL 146 Cb -0.03 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1ni6 h VAL 146 CO -0.07 0.18 -0.32 -0.07 0.02 0.00 0.00 177.57 177.31 1ni6 h LEU 147 N -0.03 0.48 -0.35 2.57 -0.00 -1.25 -2.62 115.31 114.10 1ni6 h LEU 147 Ca 0.03 -0.18 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1ni6 h LEU 147 Cb 0.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 1ni6 h LEU 147 CO 0.00 0.77 0.21 0.50 -0.00 0.00 0.00 178.44 179.92 1ni6 h LYS 148 N 0.40 0.41 -0.53 1.13 3.64 -1.11 0.17 116.57 120.68 1ni6 h LYS 148 Ca 0.05 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1ni6 h LYS 148 Cb 0.76 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1ni6 h LYS 148 CO 0.06 0.27 0.35 -0.22 -2.27 0.00 0.00 179.45 177.64 1ni6 h LYS 149 N 0.42 0.69 -0.79 1.90 3.11 -1.22 0.13 116.57 120.80 1ni6 h LYS 149 Ca 0.14 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1ni6 h LYS 149 Cb -0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.04 1ni6 h LYS 149 CO -0.06 0.46 0.31 0.82 -2.81 0.00 0.00 179.45 178.16 1ni6 h ILE 150 N 0.71 1.26 -0.55 2.00 2.04 -1.08 -1.73 117.51 120.16 1ni6 h ILE 150 Ca 0.20 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1ni6 h ILE 150 Cb -0.07 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1ni6 h ILE 150 CO -0.05 0.34 0.01 0.00 0.00 0.00 0.00 178.15 178.45 1ni6 h ALA 151 N 1.17 0.96 0.31 1.87 0.00 0.11 -3.17 119.26 120.52 1ni6 h ALA 151 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ni6 h ALA 151 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ni6 h ALA 151 CO -0.02 0.63 -0.15 1.96 0.00 0.00 0.00 179.25 181.67 1ni6 h GLN 152 N 0.88 -0.40 -2.85 0.00 4.20 -0.47 -2.16 115.11 114.29 1ni6 h GLN 152 Ca 0.16 0.03 -0.71 0.00 0.06 0.00 0.00 58.65 58.19 1ni6 h GLN 152 Cb 0.51 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 1ni6 h GLN 152 CO 0.02 -0.09 3.08 1.63 -0.67 0.00 0.00 178.83 182.81 1ni6 n LYS 153 N -5.13 4.13 0.00 1.46 4.01 -0.68 -3.53 118.16 118.41 1ni6 n LYS 153 Ca -0.10 -2.88 0.00 0.00 -0.51 0.00 0.00 58.31 54.83 1ni6 n LYS 153 Cb 0.26 -2.73 0.00 0.00 -0.51 0.00 0.00 35.03 32.05 1ni6 n LYS 153 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ni6 n ALA 154 N 2.74 0.00 0.08 7.82 0.00 -1.20 -4.88 120.51 125.07 1ni6 n ALA 154 Ca 0.69 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 54.04 1ni6 n ALA 154 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 1ni6 n ALA 154 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ni6 h LEU 155 N 0.00 0.23 -2.56 0.00 4.07 -1.47 -3.49 115.31 112.10 1ni6 h LEU 155 Ca 0.00 -0.21 -0.18 0.00 0.08 0.00 0.00 57.88 57.58 1ni6 h LEU 155 Cb 0.00 -0.07 0.10 0.00 1.08 0.00 0.00 40.66 41.76 1ni6 h LEU 155 CO 0.00 1.05 -0.52 -0.67 -1.08 0.00 0.00 178.44 177.22 1ni6 n ASP 156 N -3.59 -6.92 -4.91 -0.43 2.03 -1.23 -4.97 116.55 96.53 1ni6 n ASP 156 Ca -0.04 -0.49 -0.28 0.00 0.52 0.00 0.00 54.79 54.51 1ni6 n ASP 156 Cb 0.86 -4.90 -0.02 0.00 -0.72 0.00 0.00 41.12 36.34 1ni6 n ASP 156 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1ni6 s LEU 157 N -4.90 3.84 0.44 -2.67 2.34 -1.26 -5.04 118.68 111.43 1ni6 s LEU 157 Ca 0.25 0.83 -0.25 0.00 0.06 0.00 0.00 54.13 55.02 1ni6 s LEU 157 Cb -0.04 -3.72 -0.08 0.00 -0.56 0.00 0.00 46.19 41.79 1ni6 s LEU 157 CO 0.76 -0.40 1.30 -2.16 -1.06 0.00 0.00 176.35 174.80 1ni6 s PRO 158 N -4.18 3.77 0.00 1.48 0.04 -1.26 -4.82 135.00 130.02 1ni6 s PRO 158 Ca 0.46 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 1ni6 s PRO 158 Cb -0.10 -2.61 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 1ni6 s PRO 158 CO 0.37 -0.65 1.98 0.43 0.04 0.00 0.00 177.00 179.17 1ni6 n SER 159 N -0.20 3.67 -0.60 6.66 7.64 -1.26 -4.19 113.62 125.34 1ni6 n SER 159 Ca 0.05 -2.07 0.05 0.00 1.01 0.00 0.00 58.87 57.92 1ni6 n SER 159 Cb 0.44 -0.88 0.14 0.00 -1.01 0.00 0.00 64.21 62.91 1ni6 n SER 159 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ni6 n SER 160 N 2.12 1.75 -3.67 6.43 3.41 -1.26 -4.93 113.62 117.46 1ni6 n SER 160 Ca 0.14 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.50 1ni6 n SER 160 Cb 0.48 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 64.27 1ni6 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ni6 n GLY 161 N 1.02 -0.48 3.28 5.00 0.00 -1.26 -5.00 105.19 107.74 1ni6 n GLY 161 Ca 0.11 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -6.22 0.96 0.00 1.61 2.02 -1.26 -4.98 118.70 110.84 1ni6 s GLU 162 Ca 0.46 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1ni6 s GLU 162 Cb -0.21 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1ni6 s GLU 162 CO 0.76 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1ni6 n GLY 163 N 0.01 2.27 0.96 -1.39 0.00 -1.26 -4.93 105.19 100.84 1ni6 n GLY 163 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 2.58 -0.10 0.99 4.77 -1.26 -4.78 117.00 119.20 1ni6 n LEU 164 Ca 0.00 -3.62 -0.02 0.00 -0.03 0.00 0.00 56.01 52.35 1ni6 n LEU 164 Cb 0.00 -0.39 0.23 0.00 -2.33 0.00 0.00 43.42 40.93 1ni6 n LEU 164 CO 0.00 1.30 1.01 0.00 -1.33 0.00 0.00 177.39 178.37 1ni6 h ALA 165 N 1.15 1.30 -0.42 -1.18 0.00 -1.92 -2.60 119.26 115.59 1ni6 h ALA 165 Ca -0.01 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1ni6 h ALA 165 Cb 1.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ni6 h ALA 165 CO 0.10 0.50 0.31 0.35 0.00 0.00 0.00 179.25 180.51 1ni6 h PHE 166 N 0.75 0.00 -0.00 0.00 3.57 -1.86 -1.95 116.94 117.44 1ni6 h PHE 166 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1ni6 h PHE 166 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1ni6 h PHE 166 CO 0.01 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 1ni6 n PHE 167 N -4.34 0.00 -4.22 0.41 3.72 -0.98 -4.69 117.46 107.36 1ni6 n PHE 167 Ca 0.07 -0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.21 1ni6 n PHE 167 Cb 0.51 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.88 1ni6 n PHE 167 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1ni6 s THR 168 N -2.00 1.11 -0.76 4.37 -4.23 -0.73 -4.36 115.64 109.03 1ni6 s THR 168 Ca 0.46 -0.40 -0.18 0.00 -1.18 0.00 0.00 61.69 60.40 1ni6 s THR 168 Cb 0.21 -1.07 0.14 0.00 1.34 0.00 0.00 72.50 73.13 1ni6 s THR 168 CO 0.36 0.37 0.85 -0.36 -0.54 0.00 0.00 174.62 175.30 1ni6 s PHE 169 N 1.22 3.23 0.54 3.99 0.40 -1.26 -4.92 117.98 121.18 1ni6 s PHE 169 Ca -0.04 -1.36 0.23 0.00 -0.60 0.00 0.00 56.93 55.16 1ni6 s PHE 169 Cb -0.14 -4.05 1.42 0.00 0.51 0.00 0.00 43.02 40.76 1ni6 s PHE 169 CO -0.03 -1.28 2.08 -1.00 0.70 0.00 0.00 175.22 175.69 1ni6 h PRO 170 N 8.71 0.00 -0.30 0.24 0.13 -1.93 -2.68 132.00 136.17 1ni6 h PRO 170 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1ni6 h PRO 170 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ni6 h PRO 170 CO 1.01 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.87 1ni6 n ASN 171 N -4.30 1.92 -4.07 1.44 5.03 -1.26 -4.68 115.26 109.34 1ni6 n ASN 171 Ca 0.03 -1.90 -0.32 0.00 0.87 0.00 0.00 54.58 53.26 1ni6 n ASN 171 Cb 0.35 -0.20 -0.15 0.00 -1.02 0.00 0.00 39.78 38.76 1ni6 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ni6 s ILE 172 N -1.60 2.35 0.05 2.41 1.01 -1.01 -4.66 121.20 119.75 1ni6 s ILE 172 Ca 0.28 -1.85 -0.20 0.00 0.00 0.00 0.00 60.65 58.89 1ni6 s ILE 172 Cb 0.15 -2.50 -0.14 0.00 0.01 0.00 0.00 42.46 39.98 1ni6 s ILE 172 CO 0.21 -0.24 1.35 0.00 0.00 0.00 0.00 174.94 176.25 1ni6 h ALA 173 N 7.76 0.23 -3.67 9.38 0.00 -1.85 -3.42 119.26 127.69 1ni6 h ALA 173 Ca -0.14 -0.33 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 1ni6 h ALA 173 Cb 1.04 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.39 1ni6 h ALA 173 CO 0.50 0.13 -0.76 0.45 0.00 0.00 0.00 179.25 179.56 1ni6 s SER 174 N -6.17 4.37 0.15 0.00 0.15 -1.26 -5.00 113.70 105.95 1ni6 s SER 174 Ca -0.14 -1.64 -0.19 0.00 0.70 0.00 0.00 55.95 54.69 1ni6 s SER 174 Cb 0.06 -1.42 0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1ni6 s SER 174 CO 0.76 -0.29 1.67 0.00 1.20 0.00 0.00 173.24 176.58 1ni6 h ALA 175 N 7.79 0.17 -0.50 5.45 0.00 -1.99 -0.46 119.26 129.73 1ni6 h ALA 175 Ca -0.13 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ni6 h ALA 175 Cb 1.04 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1ni6 h ALA 175 CO 0.47 -0.49 0.24 1.79 0.00 0.00 0.00 179.25 181.26 1ni6 h THR 176 N -0.04 0.94 -0.36 0.00 1.35 -1.99 -0.55 112.91 112.25 1ni6 h THR 176 Ca 0.16 -0.16 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 1ni6 h THR 176 Cb 0.28 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1ni6 h THR 176 CO -0.35 0.09 -0.30 0.11 -0.25 0.00 0.00 175.52 174.81 1ni6 h LYS 177 N 0.47 0.78 -0.60 4.72 1.57 -1.89 -2.01 116.57 119.61 1ni6 h LYS 177 Ca 0.22 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1ni6 h LYS 177 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1ni6 h LYS 177 CO -0.17 0.98 -0.00 0.35 -0.57 0.00 0.00 179.45 180.04 1ni6 h PHE 178 N 0.66 1.16 -0.58 -1.35 3.57 -0.76 -1.82 116.94 117.81 1ni6 h PHE 178 Ca 0.07 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1ni6 h PHE 178 Cb 0.84 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1ni6 h PHE 178 CO 0.04 1.02 0.26 0.87 -2.23 0.00 0.00 178.31 178.27 1ni6 h LYS 179 N 0.97 0.86 -0.04 1.11 1.57 -0.92 0.17 116.57 120.28 1ni6 h LYS 179 Ca 0.17 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1ni6 h LYS 179 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1ni6 h LYS 179 CO 0.03 0.71 -0.46 -0.56 -0.57 0.00 0.00 179.45 178.61 1ni6 h GLN 180 N 0.80 0.09 -0.39 3.15 3.07 -1.24 -0.40 115.11 120.20 1ni6 h GLN 180 Ca 0.20 -0.04 -0.14 0.00 0.09 0.00 0.00 58.65 58.76 1ni6 h GLN 180 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 1ni6 h GLN 180 CO -0.02 0.53 -0.31 1.25 0.09 0.00 0.00 178.83 180.37 1ni6 h LEU 181 N 0.07 0.88 -0.07 0.06 5.85 -0.77 -1.50 115.31 119.84 1ni6 h LEU 181 Ca 0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1ni6 h LEU 181 Cb 0.84 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ni6 h LEU 181 CO 0.06 1.12 -0.01 0.22 -0.34 0.00 0.00 178.44 179.49 1ni6 h TYR 182 N 0.72 0.14 -0.57 1.25 5.03 -0.29 -2.22 116.97 121.02 1ni6 h TYR 182 Ca 0.08 -0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.43 1ni6 h TYR 182 Cb 0.86 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.05 1ni6 h TYR 182 CO 0.05 0.42 0.26 0.00 -1.32 0.00 0.00 178.16 177.58 1ni6 h ARG 183 N -0.19 0.48 -0.23 1.82 3.08 -1.06 -0.50 114.38 117.79 1ni6 h ARG 183 Ca 0.02 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1ni6 h ARG 183 Cb 0.37 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1ni6 h ARG 183 CO 0.00 0.32 -0.16 1.03 -1.07 0.00 0.00 179.97 180.09 1ni6 h SER 184 N 0.50 -0.52 -0.51 7.04 0.87 -1.10 0.26 113.55 120.09 1ni6 h SER 184 Ca 0.27 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1ni6 h SER 184 Cb 0.23 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1ni6 h SER 184 CO -0.21 -0.20 -0.01 0.03 -0.53 0.00 0.00 176.83 175.91 1ni6 h ARG 185 N -0.15 0.90 -0.75 2.24 -0.00 -0.96 -2.75 114.38 112.90 1ni6 h ARG 185 Ca 0.13 -0.29 0.00 0.00 -0.50 0.00 0.00 59.98 59.32 1ni6 h ARG 185 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.20 1ni6 h ARG 185 CO -0.32 0.93 0.47 1.98 0.00 0.00 0.00 179.97 183.04 1ni6 h MET 186 N 0.76 1.01 0.00 0.04 4.05 -0.60 -0.51 114.93 119.69 1ni6 h MET 186 Ca 0.14 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1ni6 h MET 186 Cb 0.53 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1ni6 h MET 186 CO 0.03 0.70 0.00 0.09 0.23 0.00 0.00 176.91 177.96 1ni6 n ASN 187 N -4.52 0.00 -0.45 1.39 3.02 0.87 -1.85 115.26 113.71 1ni6 n ASN 187 Ca 0.07 -0.19 0.11 0.00 -0.03 0.00 0.00 54.58 54.54 1ni6 n ASN 187 Cb 0.04 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1ni6 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ni6 n SER 188 N -1.18 1.90 -4.76 6.41 3.41 -0.21 -4.81 113.62 114.38 1ni6 n SER 188 Ca 0.10 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.87 1ni6 n SER 188 Cb 0.11 0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1ni6 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ni6 s LEU 189 N -2.51 4.43 -0.11 1.04 1.02 -0.77 -4.99 118.68 116.78 1ni6 s LEU 189 Ca 0.18 2.60 -0.20 0.00 0.02 0.00 0.00 54.13 56.73 1ni6 s LEU 189 Cb 0.18 -3.64 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 1ni6 s LEU 189 CO 0.58 -0.54 0.57 -1.61 0.02 0.00 0.00 176.35 175.38 1ni6 s GLU 190 N -1.18 4.36 -0.09 1.70 0.41 -1.26 -5.06 118.70 117.57 1ni6 s GLU 190 Ca 0.52 0.61 -0.06 0.00 -0.41 0.00 0.00 54.97 55.64 1ni6 s GLU 190 Cb -0.39 -3.46 0.04 0.00 -1.78 0.00 0.00 34.13 28.54 1ni6 s GLU 190 CO 0.47 0.07 0.22 -1.64 -0.49 0.00 0.00 175.26 173.90 1ni6 s MET 191 N 0.85 0.21 0.73 1.61 -1.94 -1.26 -5.03 119.30 114.47 1ni6 s MET 191 Ca 0.30 0.42 -0.13 0.00 -1.71 0.00 0.00 55.69 54.58 1ni6 s MET 191 Cb -0.16 -0.04 0.04 0.00 2.01 0.00 0.00 34.83 36.68 1ni6 s MET 191 CO 0.13 -0.11 1.11 0.95 -0.01 0.00 0.00 175.02 177.08 1ni6 s THR 192 N 0.81 3.21 0.21 2.05 -4.23 -1.26 -4.68 115.64 111.76 1ni6 s THR 192 Ca -0.06 0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 60.82 1ni6 s THR 192 Cb -0.07 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1ni6 s THR 192 CO -0.05 -0.44 1.68 -0.65 -0.54 0.00 0.00 174.62 174.62 1ni6 h PRO 193 N -0.63 0.17 -0.44 3.99 0.11 -2.01 -0.28 132.00 132.92 1ni6 h PRO 193 Ca -0.45 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1ni6 h PRO 193 Cb 1.24 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1ni6 h PRO 193 CO 0.52 0.11 0.11 0.00 -0.21 0.00 0.00 178.00 178.53 1ni6 h ALA 194 N 1.53 0.49 0.19 -0.75 0.00 -1.99 -1.22 119.26 117.50 1ni6 h ALA 194 Ca 0.32 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ni6 h ALA 194 Cb 0.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ni6 h ALA 194 CO -0.47 -0.29 -0.09 0.28 0.00 0.00 0.00 179.25 178.68 1ni6 h VAL 195 N 0.26 0.91 -1.00 0.00 2.07 -1.71 -1.16 116.25 115.61 1ni6 h VAL 195 Ca 0.21 -0.48 0.24 0.00 0.82 0.00 0.00 66.70 67.49 1ni6 h VAL 195 Cb 0.24 1.19 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 1ni6 h VAL 195 CO -0.25 0.11 0.64 -0.09 0.02 0.00 0.00 177.57 178.00 1ni6 h ARG 196 N -0.48 0.44 -0.08 1.57 2.43 -0.84 0.58 114.38 117.99 1ni6 h ARG 196 Ca -0.03 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1ni6 h ARG 196 Cb 0.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ni6 h ARG 196 CO 0.04 0.29 -0.80 0.37 -1.51 0.00 0.00 179.97 178.37 1ni6 h GLN 197 N 0.46 0.53 -0.06 0.20 5.75 -0.97 -2.39 115.11 118.63 1ni6 h GLN 197 Ca 0.56 -0.46 -0.14 0.00 -0.15 0.00 0.00 58.65 58.47 1ni6 h GLN 197 Cb 1.33 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.97 1ni6 h GLN 197 CO -0.28 1.09 -0.59 -0.09 -2.65 0.00 0.00 178.83 176.31 1ni6 h ARG 198 N 0.35 0.19 -0.48 1.69 2.43 0.84 -1.45 114.38 117.94 1ni6 h ARG 198 Ca -0.05 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 1ni6 h ARG 198 Cb 1.40 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 1ni6 h ARG 198 CO 0.15 0.72 -0.12 0.28 -1.51 0.00 0.00 179.97 179.49 1ni6 h VAL 199 N 0.14 1.26 -0.38 0.20 2.07 0.01 -0.50 116.25 119.05 1ni6 h VAL 199 Ca -0.00 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.21 1ni6 h VAL 199 Cb 1.08 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1ni6 h VAL 199 CO 0.09 0.43 -0.02 0.40 0.02 0.00 0.00 177.57 178.49 1ni6 h ILE 200 N 0.80 1.26 -0.27 4.57 2.04 -1.12 -2.34 117.51 122.45 1ni6 h ILE 200 Ca 0.13 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 1ni6 h ILE 200 Cb 0.65 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ni6 h ILE 200 CO 0.05 0.35 -0.17 -0.33 0.00 0.00 0.00 178.15 178.04 1ni6 h GLU 201 N 0.50 0.48 -0.19 2.37 4.39 -1.07 -1.97 114.58 119.09 1ni6 h GLU 201 Ca 0.11 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1ni6 h GLU 201 Cb 0.50 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1ni6 h GLU 201 CO 0.02 0.63 -0.13 1.49 -1.16 0.00 0.00 179.01 179.86 1ni6 h GLU 202 N 0.43 0.31 -0.70 2.33 4.57 -0.89 -1.39 114.58 119.25 1ni6 h GLU 202 Ca 0.08 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ni6 h GLU 202 Cb 0.55 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1ni6 h GLU 202 CO 0.04 0.45 0.14 0.00 -1.18 0.00 0.00 179.01 178.45 1ni6 h ALA 203 N 1.58 0.92 -0.36 2.92 0.00 -0.82 -0.92 119.26 122.59 1ni6 h ALA 203 Ca 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1ni6 h ALA 203 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ni6 h ALA 203 CO 0.02 0.67 -0.07 0.87 0.00 0.00 0.00 179.25 180.75 1ni6 h LYS 204 N 1.07 0.68 0.00 0.00 1.57 -1.00 -2.69 116.57 116.20 1ni6 h LYS 204 Ca 0.21 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1ni6 h LYS 204 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1ni6 h LYS 204 CO 0.01 0.83 -0.18 1.79 -0.57 0.00 0.00 179.45 181.32 1ni6 h THR 205 N 0.48 0.70 -0.32 -0.16 1.35 -1.05 -0.89 112.91 113.02 1ni6 h THR 205 Ca 0.09 -0.77 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1ni6 h THR 205 Cb 0.57 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1ni6 h THR 205 CO 0.03 0.18 0.18 0.00 -0.25 0.00 0.00 175.52 175.66 1ni6 h ALA 206 N 1.82 0.41 -0.32 6.62 0.00 -0.85 0.11 119.26 127.05 1ni6 h ALA 206 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1ni6 h ALA 206 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ni6 h ALA 206 CO 0.02 -0.06 -0.19 0.74 0.00 0.00 0.00 179.25 179.76 1ni6 h PHE 207 N 0.40 0.66 -0.61 0.00 -1.00 -1.07 -2.66 116.94 112.65 1ni6 h PHE 207 Ca 0.11 -0.13 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 1ni6 h PHE 207 Cb 0.06 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 1ni6 h PHE 207 CO -0.03 0.75 0.08 -0.07 -1.61 0.00 0.00 178.31 177.43 1ni6 h LEU 208 N 0.53 0.99 -1.49 1.54 3.38 -0.70 0.12 115.31 119.68 1ni6 h LEU 208 Ca 0.08 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1ni6 h LEU 208 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ni6 h LEU 208 CO 0.04 1.01 -0.07 -0.07 0.09 0.00 0.00 178.44 179.45 1ni6 h LEU 209 N 0.93 0.23 -0.02 1.67 3.38 -0.59 0.12 115.31 121.03 1ni6 h LEU 209 Ca 0.18 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1ni6 h LEU 209 Cb 0.45 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ni6 h LEU 209 CO 0.02 0.33 -0.62 0.78 0.09 0.00 0.00 178.44 179.04 1ni6 h ASN 210 N 0.24 0.59 -0.18 -0.43 2.35 -1.11 -1.93 115.58 115.10 1ni6 h ASN 210 Ca 0.05 -0.73 0.05 0.00 -0.55 0.00 0.00 56.30 55.12 1ni6 h ASN 210 Cb 0.28 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1ni6 h ASN 210 CO 0.01 1.24 -0.12 0.40 -1.65 0.00 0.00 177.43 177.31 1ni6 h ILE 211 N -0.01 0.66 -0.63 2.81 2.04 -0.12 0.33 117.51 122.59 1ni6 h ILE 211 Ca -0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1ni6 h ILE 211 Cb 1.31 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1ni6 h ILE 211 CO 0.12 0.00 0.36 1.56 0.00 0.00 0.00 178.15 180.19 1ni6 h GLN 212 N -0.11 0.66 -0.73 2.37 4.20 -0.83 -0.53 115.11 120.15 1ni6 h GLN 212 Ca 0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1ni6 h GLN 212 Cb 0.27 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1ni6 h GLN 212 CO -0.25 0.44 0.37 1.25 -0.67 0.00 0.00 178.83 179.97 1ni6 h LEU 213 N 0.68 0.93 -0.74 1.46 5.85 -0.46 -0.71 115.31 122.32 1ni6 h LEU 213 Ca 0.27 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1ni6 h LEU 213 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1ni6 h LEU 213 CO -0.15 0.78 0.17 -0.26 -0.34 0.00 0.00 178.44 178.64 1ni6 h PHE 214 N 1.01 1.17 -0.27 1.25 0.04 0.31 -1.11 116.94 119.35 1ni6 h PHE 214 Ca 0.25 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 1ni6 h PHE 214 Cb 0.08 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 1ni6 h PHE 214 CO 0.00 0.95 -0.19 0.93 -0.60 0.00 0.00 178.31 179.41 1ni6 h GLU 215 N 1.06 0.48 -0.11 1.51 5.08 -0.75 -1.91 114.58 119.95 1ni6 h GLU 215 Ca 0.22 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1ni6 h GLU 215 Cb 0.37 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ni6 h GLU 215 CO 0.00 0.65 -0.43 1.49 -1.00 0.00 0.00 179.01 179.72 1ni6 h GLU 216 N 0.44 0.48 -0.72 2.33 4.81 -0.73 -2.39 114.58 118.79 1ni6 h GLU 216 Ca 0.07 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1ni6 h GLU 216 Cb 0.57 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1ni6 h GLU 216 CO 0.04 1.00 0.34 -0.07 -0.73 0.00 0.00 179.01 179.59 1ni6 h LEU 217 N 0.06 0.94 -0.28 1.64 3.38 -1.11 0.12 115.31 120.05 1ni6 h LEU 217 Ca -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1ni6 h LEU 217 Cb 1.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1ni6 h LEU 217 CO 0.09 0.80 0.01 -0.61 0.09 0.00 0.00 178.44 178.83 1ni6 h GLN 218 N 1.03 0.49 -0.90 1.13 5.75 -1.36 -0.79 115.11 120.46 1ni6 h GLN 218 Ca 0.25 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1ni6 h GLN 218 Cb 0.12 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 1ni6 h GLN 218 CO -0.03 0.63 0.55 0.93 -2.65 0.00 0.00 178.83 178.26 1ni6 h GLU 219 N 0.29 1.22 0.00 1.69 5.08 -0.97 -1.84 114.58 120.05 1ni6 h GLU 219 Ca 0.08 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1ni6 h GLU 219 Cb 0.40 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ni6 h GLU 219 CO 0.01 0.85 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.38 1ni6 h LEU 220 N 1.24 0.00 0.00 1.33 3.38 -0.50 -2.46 115.31 118.31 1ni6 h LEU 220 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ni6 h LEU 220 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ni6 h LEU 220 CO -0.06 0.42 -0.15 0.18 0.09 0.00 0.00 178.44 178.92 1ni6 n LEU 221 N -4.04 0.48 -3.73 1.67 4.77 -0.33 -4.45 117.00 111.38 1ni6 n LEU 221 Ca -0.02 0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 56.11 1ni6 n LEU 221 Cb 0.45 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 1ni6 n LEU 221 CO 0.39 -0.07 -0.22 0.42 -1.33 0.00 0.00 177.39 176.59 1ni6 s THR 222 N -3.06 1.60 -2.74 -5.08 -4.23 -0.76 -5.09 115.64 96.28 1ni6 s THR 222 Ca 0.11 -2.87 0.26 0.00 -1.18 0.00 0.00 61.69 58.01 1ni6 s THR 222 Cb 0.15 -2.10 0.38 0.00 1.34 0.00 0.00 72.50 72.27 1ni6 s THR 222 CO 0.60 -0.94 1.51 1.41 -0.54 0.00 0.00 174.62 176.67