#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4h h MET 2 N 0.00 0.00 -0.50 1.09 4.05 -2.05 -1.65 114.93 115.87 1n4h h MET 2 Ca 0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1n4h h MET 2 Cb 0.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1n4h h MET 2 CO 0.00 0.00 0.29 1.03 0.23 0.00 0.00 176.91 178.46 1n4h h SER 3 N 0.00 0.45 -0.20 1.39 0.87 -2.05 0.46 113.55 114.48 1n4h h SER 3 Ca 0.15 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1n4h h SER 3 Cb 0.62 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1n4h h SER 3 CO -0.00 0.32 -0.11 -0.08 -0.53 0.00 0.00 176.83 176.43 1n4h h GLU 4 N 0.57 0.42 -0.56 2.24 4.81 -1.75 -2.11 114.58 118.20 1n4h h GLU 4 Ca 0.20 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1n4h h GLU 4 Cb 0.04 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1n4h h GLU 4 CO -0.10 0.72 0.24 0.82 -0.73 0.00 0.00 179.01 179.96 1n4h h ILE 5 N 0.11 0.85 -0.38 2.32 1.08 -1.18 -0.00 117.51 120.31 1n4h h ILE 5 Ca 0.04 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1n4h h ILE 5 Cb 0.61 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1n4h h ILE 5 CO 0.03 0.08 0.11 -0.78 -0.69 0.00 0.00 178.15 176.90 1n4h h ASP 6 N 0.45 0.56 -0.55 1.72 3.58 -0.87 -1.35 116.42 119.96 1n4h h ASP 6 Ca 0.27 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1n4h h ASP 6 Cb 0.27 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1n4h h ASP 6 CO -0.24 0.63 0.27 0.03 -2.88 0.00 0.00 179.24 177.05 1n4h h ARG 7 N 0.46 0.79 -0.30 0.28 3.08 -0.82 -0.46 114.38 117.42 1n4h h ARG 7 Ca 0.12 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1n4h h ARG 7 Cb 0.27 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1n4h h ARG 7 CO -0.00 0.64 0.16 0.82 -1.07 0.00 0.00 179.97 180.52 1n4h h ILE 8 N 0.74 1.01 0.22 2.04 2.04 -0.90 -1.21 117.51 121.45 1n4h h ILE 8 Ca 0.19 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1n4h h ILE 8 Cb 0.11 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1n4h h ILE 8 CO -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 178.15 178.03 1n4h h ALA 9 N 1.15 -0.36 -0.66 1.87 0.00 -0.89 -2.08 119.26 118.29 1n4h h ALA 9 Ca 0.12 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1n4h h ALA 9 Cb 0.02 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1n4h h ALA 9 CO -0.07 -0.72 0.34 1.96 0.00 0.00 0.00 179.25 180.76 1n4h h GLN 10 N -0.38 0.60 -0.58 0.00 4.20 -0.92 -0.57 115.11 117.46 1n4h h GLN 10 Ca -0.01 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.70 1n4h h GLN 10 Cb 0.33 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1n4h h GLN 10 CO -0.00 0.40 0.33 -0.97 -0.67 0.00 0.00 178.83 177.92 1n4h h ASN 11 N 0.62 0.52 -0.35 1.46 -0.00 -1.01 0.14 115.58 116.96 1n4h h ASN 11 Ca 0.31 0.01 -0.09 0.00 -0.00 0.00 0.00 56.30 56.54 1n4h h ASN 11 Cb 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.47 1n4h h ASN 11 CO -0.22 0.36 -0.11 0.40 -0.00 0.00 0.00 177.43 177.86 1n4h h ILE 12 N 0.65 1.28 -0.52 2.57 2.04 -0.79 -0.19 117.51 122.56 1n4h h ILE 12 Ca 0.24 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1n4h h ILE 12 Cb 0.08 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1n4h h ILE 12 CO -0.13 0.39 0.29 0.40 0.00 0.00 0.00 178.15 179.11 1n4h h ILE 13 N 0.48 1.17 -0.33 -0.67 2.04 -0.80 -0.21 117.51 119.20 1n4h h ILE 13 Ca 0.09 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1n4h h ILE 13 Cb 0.63 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1n4h h ILE 13 CO 0.04 0.18 0.21 0.50 0.00 0.00 0.00 178.15 179.08 1n4h h LYS 14 N 0.69 0.44 -0.32 2.37 3.64 -0.60 -0.78 116.57 122.02 1n4h h LYS 14 Ca 0.18 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1n4h h LYS 14 Cb 0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1n4h h LYS 14 CO -0.03 0.31 0.16 1.03 -2.27 0.00 0.00 179.45 178.64 1n4h h SER 15 N 0.44 0.23 -0.43 4.20 0.87 -0.60 -1.56 113.55 116.70 1n4h h SER 15 Ca 0.12 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1n4h h SER 15 Cb -0.03 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 1n4h h SER 15 CO -0.02 0.17 0.19 -0.74 -0.53 0.00 0.00 176.83 175.90 1n4h h HIS 16 N 0.33 0.34 -0.98 2.24 -0.00 -0.75 0.72 115.15 117.04 1n4h h HIS 16 Ca 0.13 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.62 1n4h h HIS 16 Cb 0.05 -0.09 -0.08 0.00 -0.00 0.00 0.00 27.41 27.29 1n4h h HIS 16 CO -0.10 0.16 0.62 1.25 -0.00 0.00 0.00 177.93 179.86 1n4h h LEU 17 N 0.38 0.93 -0.40 0.26 5.85 -0.63 -2.42 115.31 119.27 1n4h h LEU 17 Ca 0.19 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1n4h h LEU 17 Cb 0.13 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1n4h h LEU 17 CO -0.16 0.53 -0.33 -0.62 -0.34 0.00 0.00 178.44 177.52 1n4h n GLU 18 N -4.60 0.67 -0.11 1.25 1.02 -0.63 -4.50 120.64 113.74 1n4h n GLU 18 Ca 0.17 -0.40 0.04 0.00 -0.02 0.00 0.00 57.16 56.94 1n4h n GLU 18 Cb 0.30 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 1n4h n GLU 18 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1n4h n THR 19 N -0.81 1.03 -3.14 2.62 -2.24 0.16 -5.04 114.28 106.85 1n4h n THR 19 Ca 0.11 -1.17 -0.34 0.00 -2.27 0.00 0.00 64.05 60.37 1n4h n THR 19 Cb 0.35 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1n4h n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n4h h GLN 21 N 2.93 0.29 -4.63 0.00 4.15 -1.94 -3.39 115.11 112.52 1n4h h GLN 21 Ca -0.48 -0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.33 1n4h h GLN 21 Cb 1.18 -0.06 -0.36 0.00 0.21 0.00 0.00 27.48 28.45 1n4h h GLN 21 CO 0.65 0.21 -0.83 0.71 -1.93 0.00 0.00 178.83 177.65 1n4h s TYR 22 N -5.26 2.04 0.76 3.99 2.02 -1.26 -5.13 117.35 114.52 1n4h s TYR 22 Ca -0.07 -1.09 -0.11 0.00 -0.37 0.00 0.00 57.07 55.43 1n4h s TYR 22 Cb 0.17 -1.51 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 1n4h s TYR 22 CO 0.71 -0.60 1.10 0.95 -1.57 0.00 0.00 175.55 176.13 1n4h s THR 23 N 1.39 3.23 0.29 -0.71 -4.23 -1.26 -4.86 115.64 109.49 1n4h s THR 23 Ca 0.02 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 1n4h s THR 23 Cb -0.13 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.71 1n4h s THR 23 CO -0.08 -0.52 1.94 0.24 -0.54 0.00 0.00 174.62 175.66 1n4h h MET 24 N -0.92 1.04 -0.13 3.99 2.86 -1.98 -1.39 114.93 118.40 1n4h h MET 24 Ca -0.46 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1n4h h MET 24 Cb 1.26 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1n4h h MET 24 CO 0.61 0.73 0.08 0.93 1.06 0.00 0.00 176.91 180.32 1n4h h GLU 25 N 1.06 0.18 -0.66 1.72 5.08 -2.00 0.01 114.58 119.97 1n4h h GLU 25 Ca 0.28 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1n4h h GLU 25 Cb -0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1n4h h GLU 25 CO -0.05 0.17 0.28 0.93 -1.00 0.00 0.00 179.01 179.34 1n4h h GLU 26 N 0.14 0.96 -0.50 2.33 5.08 -1.84 -2.36 114.58 118.40 1n4h h GLU 26 Ca 0.05 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1n4h h GLU 26 Cb 0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1n4h h GLU 26 CO -0.01 0.77 0.17 -0.07 -1.00 0.00 0.00 179.01 178.87 1n4h h LEU 27 N 0.94 0.71 -1.01 1.33 4.07 -0.83 -0.68 115.31 119.85 1n4h h LEU 27 Ca 0.23 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1n4h h LEU 27 Cb 0.15 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 1n4h h LEU 27 CO -0.02 0.71 0.66 0.45 -1.08 0.00 0.00 178.44 179.16 1n4h h HIS 28 N 0.67 1.24 0.00 1.13 3.86 -0.50 0.15 115.15 121.70 1n4h h HIS 28 Ca 0.16 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 1n4h h HIS 28 Cb 0.24 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1n4h h HIS 28 CO 0.01 0.70 -0.73 1.96 0.86 0.00 0.00 177.93 180.73 1n4h h GLN 29 N 1.26 0.00 -0.11 2.45 7.50 -1.17 -2.98 115.11 122.06 1n4h h GLN 29 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 1n4h h GLN 29 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 1n4h h GLN 29 CO -0.13 0.73 0.00 1.28 -1.50 0.00 0.00 178.83 179.21 1n4h n LEU 30 N -3.67 1.41 -0.09 1.46 4.77 -0.29 -4.44 117.00 116.16 1n4h n LEU 30 Ca -0.01 -0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1n4h n LEU 30 Cb 0.71 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1n4h n LEU 30 CO 0.44 0.28 0.62 0.00 -1.33 0.00 0.00 177.39 177.39 1n4h h ALA 31 N 4.06 -0.33 -1.61 -1.18 0.00 -0.57 -3.17 119.26 116.47 1n4h h ALA 31 Ca 0.00 0.07 -0.80 0.00 0.00 0.00 0.00 54.91 54.18 1n4h h ALA 31 Cb 0.42 0.75 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 1n4h h ALA 31 CO 0.00 -0.80 1.10 0.91 0.00 0.00 0.00 179.25 180.46 1n4h n TRP 32 N -5.42 2.41 -3.41 0.00 7.02 -1.26 -4.87 117.44 111.91 1n4h n TRP 32 Ca -0.01 -2.61 -0.18 0.00 -1.02 0.00 0.00 57.50 53.68 1n4h n TRP 32 Cb 0.34 -1.39 -0.10 0.00 -2.42 0.00 0.00 31.31 27.74 1n4h n TRP 32 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1n4h s GLN 33 N -2.37 0.31 0.09 -0.99 -1.52 -1.20 -5.10 119.66 108.87 1n4h s GLN 33 Ca 0.34 -0.18 0.06 0.00 -1.95 0.00 0.00 55.36 53.64 1n4h s GLN 33 Cb 0.08 -0.70 -0.04 0.00 -0.22 0.00 0.00 33.01 32.13 1n4h s GLN 33 CO 0.06 -1.03 -0.08 0.95 -0.25 0.00 0.00 175.29 174.94 1n4h s THR 34 N 2.34 3.53 0.56 -0.19 -4.23 -1.26 0.13 115.64 116.51 1n4h s THR 34 Ca 0.09 -1.14 -0.20 0.00 -1.18 0.00 0.00 61.69 59.25 1n4h s THR 34 Cb -0.14 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1n4h s THR 34 CO -0.33 0.15 1.26 -1.00 -0.54 0.00 0.00 174.62 174.16 1n4h s HIS 35 N -1.20 2.41 0.87 3.99 0.09 0.26 -4.77 115.29 116.94 1n4h s HIS 35 Ca 0.22 1.47 -0.12 0.00 -0.00 0.00 0.00 55.06 56.62 1n4h s HIS 35 Cb -0.11 -3.60 0.12 0.00 -0.00 0.00 0.00 32.58 28.99 1n4h s HIS 35 CO 0.14 -2.39 1.12 0.95 -0.00 0.00 0.00 174.74 174.55 1n4h s THR 36 N -1.46 2.37 0.36 1.30 -4.23 -1.26 -4.79 115.64 107.92 1n4h s THR 36 Ca 0.73 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.40 1n4h s THR 36 Cb -0.34 -2.86 0.24 0.00 1.34 0.00 0.00 72.50 70.88 1n4h s THR 36 CO 0.39 -0.16 1.99 1.88 -0.54 0.00 0.00 174.62 178.18 1n4h h TYR 37 N -1.37 0.69 -0.66 3.99 -1.99 -1.99 -0.42 116.97 115.22 1n4h h TYR 37 Ca -0.49 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.16 1n4h h TYR 37 Cb 1.31 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.79 1n4h h TYR 37 CO 0.35 0.48 0.12 0.93 -0.00 0.00 0.00 178.16 180.04 1n4h h GLU 38 N 0.72 1.09 -0.35 4.88 3.07 -1.99 0.13 114.58 122.13 1n4h h GLU 38 Ca 0.19 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.65 1n4h h GLU 38 Cb 0.01 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1n4h h GLU 38 CO -0.03 0.99 -0.24 0.93 -1.40 0.00 0.00 179.01 179.26 1n4h h GLU 39 N 1.01 0.70 -0.38 2.33 5.08 -1.70 0.19 114.58 121.81 1n4h h GLU 39 Ca 0.20 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1n4h h GLU 39 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1n4h h GLU 39 CO 0.01 0.87 -0.21 0.82 -1.00 0.00 0.00 179.01 179.51 1n4h h ILE 40 N 0.61 1.28 -0.72 3.13 1.08 -0.76 -1.98 117.51 120.16 1n4h h ILE 40 Ca 0.08 -1.35 -0.03 0.00 -0.39 0.00 0.00 64.86 63.18 1n4h h ILE 40 Cb 0.73 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1n4h h ILE 40 CO 0.06 0.45 0.33 0.50 -0.69 0.00 0.00 178.15 178.80 1n4h h LYS 41 N 0.62 1.04 -0.62 2.37 1.63 -0.48 -1.64 116.57 119.49 1n4h h LYS 41 Ca 0.08 -0.16 0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1n4h h LYS 41 Cb 0.76 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 32.16 1n4h h LYS 41 CO 0.06 0.83 0.33 0.00 -3.45 0.00 0.00 179.45 177.21 1n4h h ALA 42 N 1.16 0.82 -0.84 5.00 0.00 -0.75 -0.04 119.26 124.62 1n4h h ALA 42 Ca 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1n4h h ALA 42 Cb 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1n4h h ALA 42 CO -0.03 -0.02 0.40 1.88 0.00 0.00 0.00 179.25 181.48 1n4h h TYR 43 N 0.60 1.21 0.00 0.00 0.05 -0.67 -2.19 116.97 115.97 1n4h h TYR 43 Ca 0.28 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1n4h h TYR 43 Cb 0.21 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.57 1n4h h TYR 43 CO -0.10 0.88 0.00 1.96 -1.05 0.00 0.00 178.16 179.85 1n4h h GLN 44 N 1.20 0.00 0.00 4.88 4.20 -0.40 -3.02 115.11 121.97 1n4h h GLN 44 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1n4h h GLN 44 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1n4h h GLN 44 CO -0.04 0.00 -0.67 0.77 -0.67 0.00 0.00 178.83 178.22 1n4h h SER 45 N 0.00 0.00 -4.13 1.46 0.02 -0.44 -3.43 113.55 107.03 1n4h h SER 45 Ca 0.00 -0.01 -0.55 0.00 -0.84 0.00 0.00 61.79 60.39 1n4h h SER 45 Cb 0.68 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.39 1n4h h SER 45 CO 0.00 0.00 0.39 0.29 -1.14 0.00 0.00 176.83 176.38 1n4h n LYS 46 N -2.78 0.57 -1.43 3.45 4.76 -0.93 -4.98 118.16 116.83 1n4h n LYS 46 Ca 0.01 0.26 -0.29 0.00 -2.87 0.00 0.00 58.31 55.43 1n4h n LYS 46 Cb 0.54 -2.46 0.15 0.00 -1.84 0.00 0.00 35.03 31.41 1n4h n LYS 46 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1n4h s SER 47 N -1.80 3.28 0.26 4.39 1.04 -1.26 -4.81 113.70 114.80 1n4h s SER 47 Ca 0.77 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 58.23 1n4h s SER 47 Cb -0.33 -1.65 0.33 0.00 0.10 0.00 0.00 66.02 64.47 1n4h s SER 47 CO 0.47 -2.70 1.72 -0.09 0.98 0.00 0.00 173.24 173.61 1n4h h ARG 48 N -1.60 0.70 -0.25 4.02 2.43 -1.94 -1.62 114.38 116.11 1n4h h ARG 48 Ca -0.52 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.37 1n4h h ARG 48 Cb 1.33 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1n4h h ARG 48 CO 0.61 0.79 -0.08 0.93 -1.51 0.00 0.00 179.97 180.71 1n4h h GLU 49 N 0.63 0.50 -0.06 0.20 3.07 -1.92 -1.30 114.58 115.71 1n4h h GLU 49 Ca 0.11 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1n4h h GLU 49 Cb 0.57 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1n4h h GLU 49 CO 0.04 0.73 0.04 0.00 -1.40 0.00 0.00 179.01 178.42 1n4h h ALA 50 N 0.75 0.07 -0.55 3.43 0.00 -1.88 -0.31 119.26 120.77 1n4h h ALA 50 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1n4h h ALA 50 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1n4h h ALA 50 CO 0.03 -0.42 0.10 1.25 0.00 0.00 0.00 179.25 180.20 1n4h h LEU 51 N 0.06 0.87 -0.71 0.00 5.85 -1.31 -1.68 115.31 118.40 1n4h h LEU 51 Ca 0.02 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1n4h h LEU 51 Cb 0.01 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1n4h h LEU 51 CO -0.00 0.91 0.44 -0.50 -0.34 0.00 0.00 178.44 178.94 1n4h h TRP 52 N 0.81 0.82 -0.82 1.25 4.06 -1.06 0.11 115.95 121.12 1n4h h TRP 52 Ca 0.17 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.11 1n4h h TRP 52 Cb 0.40 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.26 1n4h h TRP 52 CO 0.03 0.45 0.38 0.37 -3.56 0.00 0.00 178.44 176.11 1n4h h GLN 53 N 0.85 1.19 -0.35 0.49 4.15 -0.74 0.15 115.11 120.84 1n4h h GLN 53 Ca 0.29 -0.18 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1n4h h GLN 53 Cb 0.05 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1n4h h GLN 53 CO -0.12 0.92 0.04 1.96 -1.93 0.00 0.00 178.83 179.70 1n4h h GLN 54 N 1.17 0.60 -0.78 1.69 4.20 -0.45 -2.08 115.11 119.46 1n4h h GLN 54 Ca 0.28 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1n4h h GLN 54 Cb 0.14 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1n4h h GLN 54 CO -0.03 0.68 0.29 0.00 -0.67 0.00 0.00 178.83 179.09 1n4h h ALA 56 N 1.15 1.24 -0.20 0.00 0.00 -0.52 -0.52 119.26 120.40 1n4h h ALA 56 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1n4h h ALA 56 Cb 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n4h h ALA 56 CO -0.02 0.59 -0.14 0.82 0.00 0.00 0.00 179.25 180.50 1n4h h ILE 57 N 1.06 1.32 -0.56 0.00 2.04 -1.05 -0.90 117.51 119.42 1n4h h ILE 57 Ca 0.26 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1n4h h ILE 57 Cb 0.09 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1n4h h ILE 57 CO -0.03 0.38 0.31 -0.61 0.00 0.00 0.00 178.15 178.20 1n4h h GLN 58 N 0.14 0.78 -0.42 2.37 5.75 -1.12 0.16 115.11 122.77 1n4h h GLN 58 Ca 0.04 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1n4h h GLN 58 Cb 0.66 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1n4h h GLN 58 CO 0.04 0.60 0.12 0.82 -2.65 0.00 0.00 178.83 177.76 1n4h h ILE 59 N 0.75 1.22 -0.81 2.39 2.04 -1.09 -1.43 117.51 120.59 1n4h h ILE 59 Ca 0.20 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1n4h h ILE 59 Cb 0.05 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1n4h h ILE 59 CO -0.03 0.27 0.42 0.74 0.00 0.00 0.00 178.15 179.55 1n4h h THR 60 N 0.55 1.25 -0.24 -0.27 2.02 -0.84 0.78 112.91 116.15 1n4h h THR 60 Ca 0.14 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1n4h h THR 60 Cb 0.29 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1n4h h THR 60 CO -0.00 0.28 0.09 -0.74 0.37 0.00 0.00 175.52 175.52 1n4h h HIS 61 N 1.14 0.16 -0.29 3.16 -0.00 -0.38 -0.60 115.15 118.34 1n4h h HIS 61 Ca 0.28 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.58 1n4h h HIS 61 Cb 0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1n4h h HIS 61 CO 0.01 0.08 -0.18 0.00 -0.00 0.00 0.00 177.93 177.84 1n4h h ALA 62 N 1.14 1.15 -0.33 5.26 0.00 -0.82 -2.85 119.26 122.82 1n4h h ALA 62 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1n4h h ALA 62 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n4h h ALA 62 CO -0.10 0.54 -0.26 0.82 0.00 0.00 0.00 179.25 180.25 1n4h h ILE 63 N 0.47 1.27 -0.58 0.00 2.04 -0.27 -2.60 117.51 117.84 1n4h h ILE 63 Ca 0.08 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1n4h h ILE 63 Cb 0.58 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1n4h h ILE 63 CO 0.04 0.44 0.35 1.56 0.00 0.00 0.00 178.15 180.54 1n4h h GLN 64 N 0.57 0.78 0.00 2.37 4.20 -0.89 -0.81 115.11 121.34 1n4h h GLN 64 Ca 0.08 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1n4h h GLN 64 Cb 0.74 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1n4h h GLN 64 CO 0.06 0.55 -0.55 1.88 -0.67 0.00 0.00 178.83 180.10 1n4h h TYR 65 N 0.80 0.00 -0.19 2.96 0.05 -1.41 -2.57 116.97 116.62 1n4h h TYR 65 Ca 0.21 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.86 1n4h h TYR 65 Cb -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1n4h h TYR 65 CO 0.00 0.55 -0.42 0.28 -1.05 0.00 0.00 178.16 177.52 1n4h h VAL 66 N 0.00 1.31 -0.61 -2.88 2.07 -0.82 -0.64 116.25 114.68 1n4h h VAL 66 Ca -0.01 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 1n4h h VAL 66 Cb 1.00 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1n4h h VAL 66 CO 0.07 0.49 0.24 0.58 0.02 0.00 0.00 177.57 178.97 1n4h h VAL 67 N 0.36 1.23 -0.65 2.57 2.07 -1.03 -0.59 116.25 120.21 1n4h h VAL 67 Ca 0.03 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1n4h h VAL 67 Cb 0.89 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1n4h h VAL 67 CO 0.07 0.29 0.12 -0.33 0.02 0.00 0.00 177.57 177.75 1n4h h GLU 68 N 0.86 1.04 -0.17 1.57 4.39 -1.16 -1.65 114.58 119.45 1n4h h GLU 68 Ca 0.20 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1n4h h GLU 68 Cb 0.21 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1n4h h GLU 68 CO -0.02 0.94 -0.03 0.35 -1.16 0.00 0.00 179.01 179.09 1n4h h PHE 69 N 0.98 -0.07 -0.54 4.33 3.57 -0.50 -2.63 116.94 122.08 1n4h h PHE 69 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1n4h h PHE 69 Cb 0.39 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1n4h h PHE 69 CO 0.03 -0.06 0.25 0.00 -2.23 0.00 0.00 178.31 176.30 1n4h h ALA 70 N 1.16 0.70 0.00 2.41 0.00 -0.81 -2.82 119.26 119.91 1n4h h ALA 70 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n4h h ALA 70 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n4h h ALA 70 CO -0.17 0.28 -0.06 0.87 0.00 0.00 0.00 179.25 180.18 1n4h h LYS 71 N 0.73 0.00 -0.16 0.00 1.57 -1.10 -1.87 116.57 115.74 1n4h h LYS 71 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1n4h h LYS 71 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1n4h h LYS 71 CO -0.02 0.06 0.00 0.54 -0.57 0.00 0.00 179.45 179.45 1n4h n ARG 72 N -3.99 1.85 -3.37 3.15 1.74 -1.01 -4.73 116.66 110.30 1n4h n ARG 72 Ca -0.03 -1.27 -0.43 0.00 -0.77 0.00 0.00 57.85 55.35 1n4h n ARG 72 Cb 0.14 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 1n4h n ARG 72 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1n4h s ILE 73 N -1.80 5.17 0.17 0.55 1.01 -0.70 -4.79 121.20 120.81 1n4h s ILE 73 Ca 0.34 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 60.09 1n4h s ILE 73 Cb 0.19 -4.05 0.07 0.00 0.01 0.00 0.00 42.46 38.68 1n4h s ILE 73 CO 0.28 -0.47 1.58 0.74 0.00 0.00 0.00 174.94 177.08 1n4h h THR 74 N 5.72 0.16 -0.57 2.92 2.02 -1.85 -0.85 112.91 120.46 1n4h h THR 74 Ca -0.27 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.98 1n4h h THR 74 Cb 1.11 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1n4h h THR 74 CO 0.81 0.00 0.38 1.23 0.37 0.00 0.00 175.52 178.31 1n4h h GLY 75 N -0.22 0.62 0.69 2.16 0.00 -1.94 -2.45 103.07 101.92 1n4h h GLY 75 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1n4h h GLY 75 CO -0.64 0.13 -0.04 -2.75 0.00 0.00 0.00 176.54 173.25 1n4h h PHE 76 N 0.47 0.22 0.00 5.60 3.04 -1.46 -2.93 116.94 121.88 1n4h h PHE 76 Ca 0.25 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1n4h h PHE 76 Cb 0.39 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1n4h h PHE 76 CO -0.00 0.55 0.00 -1.33 -2.02 0.00 0.00 178.31 175.51 1n4h n MET 77 N -4.74 0.00 0.03 1.11 2.81 -0.87 -1.19 117.12 114.27 1n4h n MET 77 Ca -0.07 0.34 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 1n4h n MET 77 Cb 0.26 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.57 1n4h n MET 77 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n4h n GLU 78 N -1.50 0.12 -2.57 0.03 1.02 -0.99 -4.85 120.64 111.91 1n4h n GLU 78 Ca 0.02 0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 1n4h n GLU 78 Cb 0.11 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 1n4h n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1n4h s LEU 79 N -3.51 3.91 0.58 -4.62 1.43 -0.33 -4.97 118.68 111.17 1n4h s LEU 79 Ca 0.10 1.93 -0.20 0.00 -1.03 0.00 0.00 54.13 54.93 1n4h s LEU 79 Cb 0.16 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 1n4h s LEU 79 CO 0.67 -0.69 1.22 0.00 0.23 0.00 0.00 176.35 177.79 1n4h h GLN 81 N 0.94 0.54 -0.40 0.00 4.15 -1.93 -1.86 115.11 116.54 1n4h h GLN 81 Ca -0.50 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.90 1n4h h GLN 81 Cb 1.33 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1n4h h GLN 81 CO 0.54 0.36 0.25 -0.97 -1.93 0.00 0.00 178.83 177.08 1n4h h ASN 82 N 0.56 0.41 0.22 -0.69 -0.73 -2.01 -2.01 115.58 111.33 1n4h h ASN 82 Ca 0.42 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.45 1n4h h ASN 82 Cb 0.81 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1n4h h ASN 82 CO -0.17 0.29 -0.52 0.44 -0.37 0.00 0.00 177.43 177.11 1n4h h ASP 83 N 0.50 0.37 -0.33 1.15 3.32 -1.71 -2.41 116.42 117.31 1n4h h ASP 83 Ca 0.16 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1n4h h ASP 83 Cb -0.01 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1n4h h ASP 83 CO -0.06 0.82 0.07 1.56 -1.72 0.00 0.00 179.24 179.91 1n4h h GLN 84 N 0.26 0.19 -0.32 3.56 4.20 -1.06 0.91 115.11 122.85 1n4h h GLN 84 Ca 0.01 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1n4h h GLN 84 Cb 1.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1n4h h GLN 84 CO 0.09 0.12 0.17 0.82 -0.67 0.00 0.00 178.83 179.35 1n4h h ILE 85 N 0.19 1.00 -0.38 2.54 1.08 -1.22 -1.71 117.51 119.01 1n4h h ILE 85 Ca 0.15 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1n4h h ILE 85 Cb 0.16 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1n4h h ILE 85 CO -0.19 0.06 0.22 -0.07 -0.69 0.00 0.00 178.15 177.48 1n4h h LEU 86 N 0.34 0.47 -0.52 1.44 3.38 -0.90 0.05 115.31 119.57 1n4h h LEU 86 Ca 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n4h h LEU 86 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1n4h h LEU 86 CO -0.08 0.39 0.32 -0.07 0.09 0.00 0.00 178.44 179.10 1n4h h LEU 87 N 0.50 0.62 -0.24 1.67 3.38 -0.65 -1.41 115.31 119.17 1n4h h LEU 87 Ca 0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1n4h h LEU 87 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1n4h h LEU 87 CO -0.02 0.48 0.00 -0.07 0.09 0.00 0.00 178.44 178.91 1n4h h LEU 88 N 0.70 0.42 -0.56 1.67 3.38 -1.08 0.20 115.31 120.05 1n4h h LEU 88 Ca 0.19 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1n4h h LEU 88 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1n4h h LEU 88 CO -0.04 0.63 0.29 0.50 0.09 0.00 0.00 178.44 179.91 1n4h h LYS 89 N 0.21 0.79 0.00 1.13 3.64 -0.87 0.10 116.57 121.57 1n4h h LYS 89 Ca 0.07 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1n4h h LYS 89 Cb 0.41 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1n4h h LYS 89 CO 0.01 0.62 -0.83 0.66 -2.27 0.00 0.00 179.45 177.65 1n4h h SER 90 N 0.75 0.00 -0.01 4.20 4.64 -1.26 -3.39 113.55 118.49 1n4h h SER 90 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1n4h h SER 90 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1n4h h SER 90 CO -0.03 0.66 -0.08 0.61 -0.87 0.00 0.00 176.83 177.12 1n4h n GLY 91 N 1.30 -0.39 0.15 -0.77 0.00 0.71 -4.70 105.19 101.48 1n4h n GLY 91 Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1n4h n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4h h LEU 93 N 0.23 0.36 -0.77 0.00 5.85 -1.84 -1.49 115.31 117.66 1n4h h LEU 93 Ca 0.15 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1n4h h LEU 93 Cb 0.13 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1n4h h LEU 93 CO -0.17 0.63 0.10 -0.33 -0.34 0.00 0.00 178.44 178.34 1n4h h GLU 94 N 0.32 1.04 -0.44 1.25 5.08 -1.71 0.00 114.58 120.11 1n4h h GLU 94 Ca 0.05 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1n4h h GLU 94 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1n4h h GLU 94 CO 0.05 0.95 -0.11 0.28 -1.00 0.00 0.00 179.01 179.18 1n4h h VAL 95 N 0.97 1.27 -0.99 3.13 2.07 -0.88 -1.87 116.25 119.96 1n4h h VAL 95 Ca 0.20 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1n4h h VAL 95 Cb 0.42 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1n4h h VAL 95 CO 0.01 0.42 0.65 0.58 0.02 0.00 0.00 177.57 179.25 1n4h h VAL 96 N 0.69 1.24 -0.50 2.57 2.07 -0.86 0.44 116.25 121.90 1n4h h VAL 96 Ca 0.11 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1n4h h VAL 96 Cb 0.65 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1n4h h VAL 96 CO 0.04 0.24 0.16 0.25 0.02 0.00 0.00 177.57 178.28 1n4h h LEU 97 N 1.32 0.73 -0.25 2.57 5.85 -0.77 0.23 115.31 124.99 1n4h h LEU 97 Ca 0.37 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1n4h h LEU 97 Cb -0.12 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 1n4h h LEU 97 CO -0.09 0.74 0.10 0.58 -0.34 0.00 0.00 178.44 179.44 1n4h h VAL 98 N 0.68 1.17 -0.25 1.05 2.07 -0.74 -2.75 116.25 117.48 1n4h h VAL 98 Ca 0.16 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1n4h h VAL 98 Cb 0.27 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1n4h h VAL 98 CO -0.01 0.17 0.03 0.03 0.02 0.00 0.00 177.57 177.82 1n4h h ARG 99 N 0.25 0.37 -0.28 1.57 3.08 -0.64 -1.91 114.38 116.82 1n4h h ARG 99 Ca 0.08 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1n4h h ARG 99 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n4h h ARG 99 CO -0.01 0.37 0.21 1.98 -1.07 0.00 0.00 179.97 181.46 1n4h h MET 100 N 0.36 0.00 0.00 0.04 4.05 -0.23 -0.53 114.93 118.62 1n4h h MET 100 Ca 0.09 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1n4h h MET 100 Cb 0.19 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1n4h h MET 100 CO 0.00 0.00 -0.02 0.00 0.23 0.00 0.00 176.91 177.12 1n4h h ARG 102 N 0.00 0.00 -0.75 0.00 3.08 -1.25 -3.16 114.38 112.31 1n4h h ARG 102 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1n4h h ARG 102 Cb 0.18 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.89 1n4h h ARG 102 CO 0.00 0.34 -0.26 0.00 -1.07 0.00 0.00 179.97 178.98 1n4h n ALA 103 N -2.27 5.25 -3.07 0.04 0.00 0.00 -4.98 120.51 115.49 1n4h n ALA 103 Ca 0.00 -3.61 -0.28 0.00 0.00 0.00 0.00 53.44 49.55 1n4h n ALA 103 Cb 0.50 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 19.02 1n4h n ALA 103 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n4h s PHE 104 N -3.61 2.01 -0.48 0.00 2.19 -1.16 -1.24 117.98 115.70 1n4h s PHE 104 Ca 0.54 -0.69 -0.15 0.00 0.33 0.00 0.00 56.93 56.96 1n4h s PHE 104 Cb 0.44 -1.36 0.08 0.00 -1.31 0.00 0.00 43.02 40.86 1n4h s PHE 104 CO 0.02 -0.26 0.40 1.21 1.83 0.00 0.00 175.22 178.42 1n4h s ASN 105 N 0.20 6.14 0.00 6.13 3.84 0.27 -4.94 114.94 126.58 1n4h s ASN 105 Ca -0.10 -1.36 0.16 0.00 0.21 0.00 0.00 52.86 51.77 1n4h s ASN 105 Cb -0.14 -2.18 0.88 0.00 -0.55 0.00 0.00 41.25 39.26 1n4h s ASN 105 CO 0.05 -0.66 1.45 -0.81 -2.79 0.00 0.00 177.10 174.33 1n4h n PRO 106 N 5.20 0.33 0.06 0.43 -0.04 -1.26 -1.33 135.00 138.39 1n4h n PRO 106 Ca -0.12 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 1n4h n PRO 106 Cb 0.43 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.25 1n4h n PRO 106 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1n4h h LEU 107 N 0.00 0.56 -3.00 1.53 3.38 -1.96 -3.38 115.31 112.44 1n4h h LEU 107 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1n4h h LEU 107 Cb 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1n4h h LEU 107 CO 0.00 1.69 0.00 -0.46 0.09 0.00 0.00 178.44 179.76 1n4h n ASN 108 N -3.76 2.45 -3.72 -0.43 0.23 -1.21 -5.02 115.26 103.80 1n4h n ASN 108 Ca -0.23 -2.32 -0.32 0.00 -0.53 0.00 0.00 54.58 51.17 1n4h n ASN 108 Cb 1.00 -0.19 0.04 0.00 -2.08 0.00 0.00 39.78 38.55 1n4h n ASN 108 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n4h n ASN 109 N -0.48 -4.98 -4.30 0.53 3.02 -0.44 -4.87 115.26 103.73 1n4h n ASN 109 Ca 0.08 -1.04 -0.24 0.00 -0.03 0.00 0.00 54.58 53.35 1n4h n ASN 109 Cb 0.43 -3.24 -0.12 0.00 -0.61 0.00 0.00 39.78 36.24 1n4h n ASN 109 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n4h s THR 110 N -3.49 1.78 0.08 3.41 -4.23 -1.06 -4.22 115.64 107.90 1n4h s THR 110 Ca 0.45 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1n4h s THR 110 Cb -0.17 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.00 1n4h s THR 110 CO 0.87 -0.08 -0.21 0.54 -0.54 0.00 0.00 174.62 175.20 1n4h s VAL 111 N -1.29 1.69 -0.12 2.29 0.11 -0.49 -0.56 120.40 122.03 1n4h s VAL 111 Ca 0.09 -1.39 -0.29 0.00 -2.93 0.00 0.00 61.98 57.46 1n4h s VAL 111 Cb -0.09 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1n4h s VAL 111 CO 0.05 0.06 1.51 -0.22 -3.33 0.00 0.00 175.10 173.17 1n4h s LEU 112 N -1.58 4.21 -0.04 2.54 2.96 -0.37 -1.33 118.68 125.07 1n4h s LEU 112 Ca 0.07 1.95 -0.02 0.00 -0.22 0.00 0.00 54.13 55.91 1n4h s LEU 112 Cb -0.09 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.09 1n4h s LEU 112 CO 0.03 -0.92 0.07 0.12 -1.32 0.00 0.00 176.35 174.33 1n4h s PHE 113 N 4.03 0.02 -1.29 5.38 5.36 0.12 -4.88 117.98 126.71 1n4h s PHE 113 Ca 0.67 0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 56.90 1n4h s PHE 113 Cb -0.28 -0.41 -0.00 0.00 -0.34 0.00 0.00 43.02 41.99 1n4h s PHE 113 CO 0.24 -0.19 0.65 0.39 -1.46 0.00 0.00 175.22 174.85 1n4h n GLU 114 N 5.14 -3.78 0.00 10.12 1.02 -1.26 -2.83 120.64 129.05 1n4h n GLU 114 Ca -0.07 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1n4h n GLU 114 Cb 0.50 -4.87 0.00 0.00 -0.02 0.00 0.00 31.44 27.05 1n4h n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n4h n GLY 115 N -1.68 2.73 3.19 0.62 0.00 -1.26 -5.01 105.19 103.77 1n4h n GLY 115 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1n4h n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n4h s LYS 116 N -0.33 0.96 0.10 1.61 1.02 -1.13 -5.01 119.74 116.96 1n4h s LYS 116 Ca 0.00 -1.35 -0.25 0.00 0.02 0.00 0.00 55.97 54.39 1n4h s LYS 116 Cb 0.00 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.52 1n4h s LYS 116 CO 0.00 -0.29 0.78 0.71 -0.92 0.00 0.00 175.35 175.63 1n4h s TYR 117 N -4.02 3.81 -0.01 3.18 1.51 0.34 0.14 117.35 122.31 1n4h s TYR 117 Ca 0.21 1.56 -0.06 0.00 -1.01 0.00 0.00 57.07 57.76 1n4h s TYR 117 Cb 0.06 -2.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.11 1n4h s TYR 117 CO 0.00 0.37 0.13 0.20 -1.11 0.00 0.00 175.55 175.15 1n4h s GLY 118 N -0.51 0.02 1.11 0.71 0.00 -0.44 -0.57 107.32 107.65 1n4h s GLY 118 Ca 0.38 -0.04 -0.19 0.00 0.00 0.00 0.00 44.72 44.87 1n4h s GLY 118 CO 0.25 -0.15 1.22 0.61 0.00 0.00 0.00 173.10 175.02 1n4h n GLY 119 N 1.79 -2.15 0.26 0.20 0.00 -1.26 -1.39 105.19 102.64 1n4h n GLY 119 Ca -0.21 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.39 1n4h n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4h h MET 120 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -1.98 114.93 112.62 1n4h h MET 120 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 1n4h h MET 120 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 1n4h h MET 120 CO 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 177.20 1n4h n GLN 121 N -2.88 0.02 0.22 -0.10 0.00 -1.26 -1.51 117.38 111.86 1n4h n GLN 121 Ca -0.01 0.25 0.10 0.00 0.00 0.00 0.00 57.00 57.34 1n4h n GLN 121 Cb 0.19 -1.50 0.45 0.00 0.00 0.00 0.00 30.24 29.39 1n4h n GLN 121 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1n4h h MET 122 N 0.00 0.00 -0.51 2.61 4.05 -1.70 -3.00 114.93 116.38 1n4h h MET 122 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1n4h h MET 122 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1n4h h MET 122 CO 0.00 0.22 0.00 1.19 0.23 0.00 0.00 176.91 178.55 1n4h n PHE 123 N -3.38 1.51 -0.22 1.39 3.72 -0.57 -4.57 117.46 115.34 1n4h n PHE 123 Ca 0.00 -0.71 0.03 0.00 -0.05 0.00 0.00 57.45 56.71 1n4h n PHE 123 Cb 0.43 -0.35 0.14 0.00 -0.94 0.00 0.00 39.48 38.76 1n4h n PHE 123 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1n4h h LYS 124 N 3.36 0.25 0.00 -1.08 1.63 -1.63 -1.75 116.57 117.34 1n4h h LYS 124 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1n4h h LYS 124 Cb 1.60 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1n4h h LYS 124 CO 0.31 0.17 0.00 0.00 -3.45 0.00 0.00 179.45 176.48 1n4h n ALA 125 N -2.64 1.01 0.17 5.00 0.00 -1.26 -1.67 120.51 121.11 1n4h n ALA 125 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.62 1n4h n ALA 125 Cb 0.37 -1.05 0.21 0.00 0.00 0.00 0.00 19.45 18.98 1n4h n ALA 125 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n4h h LEU 126 N 0.00 0.00 1.62 0.00 3.38 -1.63 -3.35 115.31 115.33 1n4h h LEU 126 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1n4h h LEU 126 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1n4h h LEU 126 CO 0.00 0.43 -0.33 0.61 0.09 0.00 0.00 178.44 179.25 1n4h n GLY 127 N 0.66 0.21 2.56 0.83 0.00 -0.67 -4.92 105.19 103.86 1n4h n GLY 127 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 1n4h n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4h n SER 128 N -0.51 2.36 0.20 1.61 7.64 -1.26 -4.91 113.62 118.74 1n4h n SER 128 Ca -0.16 -3.08 0.12 0.00 1.01 0.00 0.00 58.87 56.77 1n4h n SER 128 Cb 0.58 -0.53 0.70 0.00 -1.01 0.00 0.00 64.21 63.95 1n4h n SER 128 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1n4h h ASP 129 N 2.90 0.00 -0.62 6.43 3.32 -1.91 -1.19 116.42 125.35 1n4h h ASP 129 Ca 0.05 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1n4h h ASP 129 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1n4h h ASP 129 CO 0.61 0.00 0.17 -2.24 -1.72 0.00 0.00 179.24 176.06 1n4h h ASP 130 N 0.00 0.93 0.19 6.45 2.03 -1.98 0.35 116.42 124.39 1n4h h ASP 130 Ca 0.07 -0.22 -0.01 0.00 -0.73 0.00 0.00 57.03 56.13 1n4h h ASP 130 Cb 0.28 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1n4h h ASP 130 CO -0.00 0.91 -0.09 0.25 -1.03 0.00 0.00 179.24 179.28 1n4h h LEU 131 N 0.90 -0.22 -0.17 0.15 5.85 -1.64 -1.51 115.31 118.68 1n4h h LEU 131 Ca 0.20 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1n4h h LEU 131 Cb 0.33 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1n4h h LEU 131 CO -0.00 0.07 -0.05 0.58 -0.34 0.00 0.00 178.44 178.70 1n4h h VAL 132 N -0.52 0.82 -0.99 1.05 2.07 -1.25 -0.75 116.25 116.68 1n4h h VAL 132 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1n4h h VAL 132 Cb 0.39 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1n4h h VAL 132 CO 0.04 0.00 0.63 0.78 0.02 0.00 0.00 177.57 179.04 1n4h h ASN 133 N -0.01 0.97 -0.51 0.57 -0.26 -0.28 0.59 115.58 116.65 1n4h h ASN 133 Ca 0.08 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.73 1n4h h ASN 133 Cb 0.13 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1n4h h ASN 133 CO -0.18 0.58 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.31 1n4h h GLU 134 N 1.08 0.99 -0.35 0.81 5.08 -0.65 -0.50 114.58 121.04 1n4h h GLU 134 Ca 0.46 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1n4h h GLU 134 Cb 0.31 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1n4h h GLU 134 CO -0.21 1.06 0.16 0.00 -1.00 0.00 0.00 179.01 179.02 1n4h h ALA 135 N 0.90 0.45 -0.50 3.43 0.00 -0.27 -2.29 119.26 120.97 1n4h h ALA 135 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1n4h h ALA 135 Cb 0.70 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1n4h h ALA 135 CO 0.05 0.02 0.12 0.74 0.00 0.00 0.00 179.25 180.18 1n4h h PHE 136 N 0.42 0.85 -0.86 0.00 -1.00 -0.81 -2.14 116.94 113.39 1n4h h PHE 136 Ca 0.12 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1n4h h PHE 136 Cb 0.13 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.41 1n4h h PHE 136 CO -0.01 0.75 0.47 -0.44 -1.61 0.00 0.00 178.31 177.47 1n4h h ASP 137 N 0.69 1.07 0.24 2.17 3.32 -0.97 0.15 116.42 123.09 1n4h h ASP 137 Ca 0.16 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1n4h h ASP 137 Cb 0.34 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1n4h h ASP 137 CO 0.00 0.86 -0.12 0.15 -1.72 0.00 0.00 179.24 178.41 1n4h h PHE 138 N 1.20 -0.30 -0.52 4.55 3.57 -1.29 -0.30 116.94 123.85 1n4h h PHE 138 Ca 0.30 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.87 1n4h h PHE 138 Cb 0.02 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 1n4h h PHE 138 CO 0.01 -0.05 0.18 0.00 -2.23 0.00 0.00 178.31 176.22 1n4h h ALA 139 N 0.17 0.64 -0.63 2.41 0.00 -1.13 0.36 119.26 121.07 1n4h h ALA 139 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1n4h h ALA 139 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1n4h h ALA 139 CO 0.06 -0.22 0.41 -0.22 0.00 0.00 0.00 179.25 179.27 1n4h h LYS 140 N 0.35 0.80 -0.20 0.00 3.64 -0.60 -0.12 116.57 120.43 1n4h h LYS 140 Ca 0.26 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 1n4h h LYS 140 Cb 0.29 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1n4h h LYS 140 CO -0.27 0.53 -0.46 -0.91 -2.27 0.00 0.00 179.45 176.07 1n4h h ASN 141 N 0.82 0.54 -0.41 4.20 2.35 0.24 -2.72 115.58 120.62 1n4h h ASN 141 Ca 0.24 -0.26 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 1n4h h ASN 141 Cb -0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1n4h h ASN 141 CO -0.07 0.92 -0.33 0.25 -1.65 0.00 0.00 177.43 176.56 1n4h h LEU 142 N 0.41 1.00 -2.08 1.61 5.85 -0.01 -2.85 115.31 119.23 1n4h h LEU 142 Ca 0.03 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1n4h h LEU 142 Cb 0.96 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1n4h h LEU 142 CO 0.08 1.23 -0.02 0.00 -0.34 0.00 0.00 178.44 179.39 1n4h h SER 144 N 0.00 0.00 1.25 0.00 4.64 -1.23 -1.42 113.55 116.79 1n4h h SER 144 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n4h h SER 144 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1n4h h SER 144 CO 0.00 0.03 -0.02 0.18 -0.87 0.00 0.00 176.83 176.15 1n4h n LEU 145 N -3.28 0.47 -3.69 5.97 4.77 -0.55 -4.96 117.00 115.74 1n4h n LEU 145 Ca -0.02 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.23 1n4h n LEU 145 Cb 0.16 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1n4h n LEU 145 CO 0.25 -0.10 -0.09 0.00 -1.33 0.00 0.00 177.39 176.12 1n4h n GLN 146 N -1.93 -2.84 -2.50 3.23 1.13 -0.54 -4.93 117.38 109.00 1n4h n GLN 146 Ca 0.06 0.54 -0.36 0.00 -1.94 0.00 0.00 57.00 55.30 1n4h n GLN 146 Cb 0.39 -4.70 -0.03 0.00 0.11 0.00 0.00 30.24 26.01 1n4h n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1n4h s LEU 147 N -6.51 4.05 0.77 1.08 1.43 -1.26 -4.94 118.68 113.30 1n4h s LEU 147 Ca 0.24 2.06 -0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1n4h s LEU 147 Cb -0.08 -4.28 0.10 0.00 0.03 0.00 0.00 46.19 41.97 1n4h s LEU 147 CO 0.84 -0.63 1.09 0.42 0.23 0.00 0.00 176.35 178.30 1n4h s THR 148 N -1.71 2.17 0.34 5.49 -4.23 -1.26 -4.87 115.64 111.57 1n4h s THR 148 Ca 0.61 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1n4h s THR 148 Cb -0.22 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 70.85 1n4h s THR 148 CO 0.27 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.90 1n4h h GLU 149 N -0.85 0.48 -0.51 3.99 4.39 -1.99 -1.31 114.58 118.78 1n4h h GLU 149 Ca -0.43 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.06 1n4h h GLU 149 Cb 1.29 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1n4h h GLU 149 CO 0.53 0.53 -0.10 0.93 -1.16 0.00 0.00 179.01 179.73 1n4h h GLU 150 N 0.46 0.95 -0.28 2.33 5.08 -1.97 -0.61 114.58 120.53 1n4h h GLU 150 Ca 0.10 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 57.96 1n4h h GLU 150 Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1n4h h GLU 150 CO 0.01 1.00 -0.46 0.93 -1.00 0.00 0.00 179.01 179.49 1n4h h GLU 151 N 0.85 0.75 -0.56 2.33 5.08 -1.84 -1.72 114.58 119.46 1n4h h GLU 151 Ca 0.14 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 1n4h h GLU 151 Cb 0.64 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1n4h h GLU 151 CO 0.04 1.05 -0.05 0.82 -1.00 0.00 0.00 179.01 179.87 1n4h h ILE 152 N 0.59 1.27 0.32 3.13 2.04 -1.09 0.73 117.51 124.49 1n4h h ILE 152 Ca 0.03 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1n4h h ILE 152 Cb 1.03 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1n4h h ILE 152 CO 0.10 0.43 -0.19 0.00 0.00 0.00 0.00 178.15 178.49 1n4h h ALA 153 N 0.95 -0.48 -0.41 1.87 0.00 -0.94 0.15 119.26 120.40 1n4h h ALA 153 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1n4h h ALA 153 Cb 0.62 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1n4h h ALA 153 CO 0.04 -0.78 0.11 -0.07 0.00 0.00 0.00 179.25 178.55 1n4h h LEU 154 N -0.49 0.62 -0.31 0.00 3.38 -1.24 -1.88 115.31 115.40 1n4h h LEU 154 Ca -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1n4h h LEU 154 Cb 0.40 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1n4h h LEU 154 CO 0.04 0.68 0.06 0.15 0.09 0.00 0.00 178.44 179.46 1n4h h PHE 155 N 0.53 0.53 -0.53 1.13 3.57 -0.78 -1.40 116.94 119.99 1n4h h PHE 155 Ca 0.13 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1n4h h PHE 155 Cb 0.30 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1n4h h PHE 155 CO 0.02 0.57 0.35 0.66 -2.23 0.00 0.00 178.31 177.68 1n4h h SER 156 N 0.34 0.57 0.28 0.41 4.64 -0.62 -0.60 113.55 118.56 1n4h h SER 156 Ca 0.10 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1n4h h SER 156 Cb 0.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1n4h h SER 156 CO 0.00 0.40 -0.48 0.77 -0.87 0.00 0.00 176.83 176.65 1n4h h SER 157 N 0.67 0.26 0.09 4.97 4.64 -0.89 -2.20 113.55 121.09 1n4h h SER 157 Ca 0.20 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1n4h h SER 157 Cb -0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1n4h h SER 157 CO -0.05 0.71 -0.47 0.00 -0.87 0.00 0.00 176.83 176.15 1n4h h ALA 158 N 1.30 0.86 -0.68 5.18 0.00 -0.06 0.15 119.26 126.00 1n4h h ALA 158 Ca 0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1n4h h ALA 158 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1n4h h ALA 158 CO 0.08 0.66 0.18 0.28 0.00 0.00 0.00 179.25 180.44 1n4h h VAL 159 N 0.36 1.26 -0.08 0.00 2.07 -0.95 -3.16 116.25 115.75 1n4h h VAL 159 Ca 0.02 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1n4h h VAL 159 Cb 0.97 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1n4h h VAL 159 CO 0.08 0.36 -0.17 0.25 0.02 0.00 0.00 177.57 178.11 1n4h h LEU 160 N 1.02 0.28 -6.24 2.57 5.85 -1.14 -3.34 115.31 114.30 1n4h h LEU 160 Ca 0.22 -0.57 -0.74 0.00 0.84 0.00 0.00 57.88 57.62 1n4h h LEU 160 Cb 0.35 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 1n4h h LEU 160 CO -0.00 0.80 2.41 -0.38 -0.34 0.00 0.00 178.44 180.94 1n4h n ILE 161 N -4.58 4.12 -3.63 4.05 2.08 0.50 -4.84 119.36 117.07 1n4h n ILE 161 Ca -0.08 -3.94 -0.38 0.00 0.56 0.00 0.00 62.75 58.90 1n4h n ILE 161 Cb 0.40 -2.43 -0.11 0.00 -0.75 0.00 0.00 39.64 36.75 1n4h n ILE 161 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1n4h s SER 162 N 1.54 5.72 0.00 4.38 0.15 -1.25 -4.53 113.70 119.72 1n4h s SER 162 Ca 0.43 -0.31 0.23 0.00 0.70 0.00 0.00 55.95 57.00 1n4h s SER 162 Cb 0.12 -2.05 1.35 0.00 -1.71 0.00 0.00 66.02 63.73 1n4h s SER 162 CO -0.03 -0.14 1.74 -0.81 1.20 0.00 0.00 173.24 175.20 1n4h n PRO 163 N 5.02 0.69 0.00 5.44 -0.04 -1.26 -3.09 135.00 141.76 1n4h n PRO 163 Ca -0.14 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1n4h n PRO 163 Cb 0.50 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.61 1n4h n PRO 163 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1n4h n ASP 164 N -1.02 1.29 -4.75 3.54 8.00 -1.26 -4.86 116.55 117.49 1n4h n ASP 164 Ca 0.17 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 1n4h n ASP 164 Cb 0.09 0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1n4h n ASP 164 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n4h n ARG 165 N -0.70 2.67 -2.07 -1.24 5.12 -1.18 -4.94 116.66 114.32 1n4h n ARG 165 Ca 0.09 0.95 -0.34 0.00 -1.93 0.00 0.00 57.85 56.62 1n4h n ARG 165 Cb 0.38 -2.72 0.02 0.00 -1.16 0.00 0.00 32.46 28.98 1n4h n ARG 165 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n4h s ALA 166 N -0.16 2.65 0.00 7.54 0.00 -1.26 -3.53 121.76 126.99 1n4h s ALA 166 Ca 0.63 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1n4h s ALA 166 Cb -0.50 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1n4h s ALA 166 CO 0.51 -0.90 0.00 0.91 0.00 0.00 0.00 175.76 176.27 1n4h n TRP 167 N -1.81 0.00 -1.83 0.00 7.02 -1.26 -5.01 117.44 114.55 1n4h n TRP 167 Ca 0.10 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.17 1n4h n TRP 167 Cb 0.52 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.39 1n4h n TRP 167 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1n4h s LEU 168 N 0.00 4.35 0.04 -0.99 1.43 -1.23 -4.91 118.68 117.37 1n4h s LEU 168 Ca 0.00 2.90 0.02 0.00 -1.03 0.00 0.00 54.13 56.02 1n4h s LEU 168 Cb 0.00 -3.64 -0.25 0.00 0.03 0.00 0.00 46.19 42.33 1n4h s LEU 168 CO 0.00 -0.86 0.97 -0.07 0.23 0.00 0.00 176.35 176.62 1n4h h LEU 169 N 4.68 0.23 -6.05 1.79 3.38 -1.94 -3.39 115.31 114.00 1n4h h LEU 169 Ca -0.47 -0.30 -0.58 0.00 0.09 0.00 0.00 57.88 56.62 1n4h h LEU 169 Cb 1.22 -0.07 -0.41 0.00 0.09 0.00 0.00 40.66 41.49 1n4h h LEU 169 CO 0.77 1.25 -0.83 -0.62 0.09 0.00 0.00 178.44 179.10 1n4h n GLU 170 N -3.37 1.79 -0.30 1.13 1.02 -1.26 -4.95 120.64 114.70 1n4h n GLU 170 Ca -0.11 -4.06 -0.01 0.00 -0.02 0.00 0.00 57.16 52.96 1n4h n GLU 170 Cb 1.01 -1.82 0.12 0.00 -0.02 0.00 0.00 31.44 30.73 1n4h n GLU 170 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1n4h h PRO 171 N 3.97 0.96 -0.94 3.49 0.13 -1.89 -2.75 132.00 134.97 1n4h h PRO 171 Ca 0.14 -0.06 0.14 0.00 -0.87 0.00 0.00 66.00 65.35 1n4h h PRO 171 Cb 0.75 -0.22 -0.08 0.00 0.13 0.00 0.00 31.00 31.59 1n4h h PRO 171 CO 0.67 0.64 0.60 0.00 -0.23 0.00 0.00 178.00 179.68 1n4h h ARG 172 N 0.99 0.78 -0.42 0.86 2.47 -1.92 0.25 114.38 117.39 1n4h h ARG 172 Ca 0.35 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.92 1n4h h ARG 172 Cb 0.08 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1n4h h ARG 172 CO -0.14 0.51 -0.15 0.87 0.56 0.00 0.00 179.97 181.62 1n4h h LYS 173 N 0.80 0.77 -0.29 0.04 1.57 -1.92 -0.20 116.57 117.34 1n4h h LYS 173 Ca 0.47 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1n4h h LYS 173 Cb 0.65 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1n4h h LYS 173 CO -0.24 0.88 -0.20 0.28 -0.57 0.00 0.00 179.45 179.60 1n4h h VAL 174 N 0.69 1.30 -0.77 0.50 2.07 -1.04 -2.73 116.25 116.27 1n4h h VAL 174 Ca 0.11 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.33 1n4h h VAL 174 Cb 0.64 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1n4h h VAL 174 CO 0.04 0.43 0.48 -0.61 0.02 0.00 0.00 177.57 177.93 1n4h h GLN 175 N 0.39 0.90 -0.67 1.57 4.15 -0.32 -0.65 115.11 120.47 1n4h h GLN 175 Ca 0.06 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1n4h h GLN 175 Cb 0.75 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1n4h h GLN 175 CO 0.05 0.59 0.34 0.87 -1.93 0.00 0.00 178.83 178.76 1n4h h LYS 176 N 0.92 0.96 -0.33 1.69 1.57 -0.94 -1.17 116.57 119.27 1n4h h LYS 176 Ca 0.32 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1n4h h LYS 176 Cb 0.06 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1n4h h LYS 176 CO -0.13 0.74 -0.38 1.25 -0.57 0.00 0.00 179.45 180.36 1n4h h LEU 177 N 0.93 0.91 -1.26 2.94 5.85 -1.16 -2.96 115.31 120.57 1n4h h LEU 177 Ca 0.23 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1n4h h LEU 177 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1n4h h LEU 177 CO -0.03 1.21 0.02 -0.61 -0.34 0.00 0.00 178.44 178.69 1n4h h GLN 178 N 0.64 0.52 -0.41 1.25 4.15 -0.88 -1.71 115.11 118.68 1n4h h GLN 178 Ca 0.05 -0.10 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1n4h h GLN 178 Cb 0.97 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1n4h h GLN 178 CO 0.09 0.54 -0.16 0.93 -1.93 0.00 0.00 178.83 178.29 1n4h h GLU 179 N 0.51 0.77 -0.38 1.69 5.08 -1.14 0.05 114.58 121.15 1n4h h GLU 179 Ca 0.11 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1n4h h GLU 179 Cb 0.30 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1n4h h GLU 179 CO 0.01 0.88 -0.21 0.87 -1.00 0.00 0.00 179.01 179.56 1n4h h LYS 180 N 0.69 0.74 -0.24 2.33 1.57 -1.28 -1.23 116.57 119.15 1n4h h LYS 180 Ca 0.11 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1n4h h LYS 180 Cb 0.66 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1n4h h LYS 180 CO 0.05 0.89 0.00 0.82 -0.57 0.00 0.00 179.45 180.64 1n4h h ILE 181 N 0.65 1.25 -0.52 1.86 2.04 -0.90 -1.50 117.51 120.39 1n4h h ILE 181 Ca 0.09 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1n4h h ILE 181 Cb 0.71 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1n4h h ILE 181 CO 0.05 0.27 0.14 1.88 0.00 0.00 0.00 178.15 180.49 1n4h h TYR 182 N 0.19 0.81 -0.37 1.37 0.99 -0.85 0.27 116.97 119.38 1n4h h TYR 182 Ca 0.07 -0.07 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1n4h h TYR 182 Cb 0.40 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.88 1n4h h TYR 182 CO 0.03 0.67 -0.24 0.74 -0.00 0.00 0.00 178.16 179.37 1n4h h PHE 183 N 0.76 0.84 -0.22 4.88 0.05 -1.11 -0.59 116.94 121.55 1n4h h PHE 183 Ca 0.17 -0.20 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 1n4h h PHE 183 Cb 0.27 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 1n4h h PHE 183 CO 0.01 0.91 -0.06 0.00 -0.18 0.00 0.00 178.31 178.99 1n4h h ALA 184 N 1.09 0.31 -0.63 2.45 0.00 -0.68 -3.04 119.26 118.77 1n4h h ALA 184 Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1n4h h ALA 184 Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1n4h h ALA 184 CO 0.06 0.11 0.27 1.25 0.00 0.00 0.00 179.25 180.94 1n4h h LEU 185 N 0.17 0.82 -1.13 0.00 5.85 -0.81 -2.02 115.31 118.19 1n4h h LEU 185 Ca 0.06 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1n4h h LEU 185 Cb 0.53 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1n4h h LEU 185 CO 0.02 0.72 0.28 -0.61 -0.34 0.00 0.00 178.44 178.52 1n4h h GLN 186 N 0.89 0.89 -0.17 1.25 4.15 -1.05 -1.07 115.11 120.01 1n4h h GLN 186 Ca 0.22 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1n4h h GLN 186 Cb 0.14 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1n4h h GLN 186 CO -0.02 0.71 -0.37 0.45 -1.93 0.00 0.00 178.83 177.66 1n4h h HIS 187 N 0.89 0.70 -0.74 3.99 3.86 -1.32 -3.20 115.15 119.33 1n4h h HIS 187 Ca 0.22 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1n4h h HIS 187 Cb 0.12 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1n4h h HIS 187 CO 0.01 1.00 0.47 0.28 0.86 0.00 0.00 177.93 180.55 1n4h h VAL 188 N 0.19 1.10 -0.53 2.45 2.07 -1.09 -1.74 116.25 118.70 1n4h h VAL 188 Ca 0.00 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.34 1n4h h VAL 188 Cb 0.98 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1n4h h VAL 188 CO 0.08 0.17 0.37 0.40 0.02 0.00 0.00 177.57 178.61 1n4h h ILE 189 N 0.91 0.78 -0.11 4.57 2.04 -1.20 0.17 117.51 124.67 1n4h h ILE 189 Ca 0.30 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 66.07 1n4h h ILE 189 Cb 0.02 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1n4h h ILE 189 CO -0.11 0.02 -0.14 1.56 0.00 0.00 0.00 178.15 179.48 1n4h h GLN 190 N 0.11 0.17 -0.84 2.37 4.20 -1.31 -2.66 115.11 117.15 1n4h h GLN 190 Ca 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1n4h h GLN 190 Cb 0.85 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1n4h h GLN 190 CO -0.03 0.32 0.49 0.87 -0.67 0.00 0.00 178.83 179.81 1n4h h LYS 191 N 0.16 1.14 0.00 1.46 1.57 -1.02 -3.43 116.57 116.45 1n4h h LYS 191 Ca 0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1n4h h LYS 191 Cb 0.35 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1n4h h LYS 191 CO 0.02 0.81 0.00 0.09 -0.57 0.00 0.00 179.45 179.80 1n4h n ASN 192 N -4.36 0.00 0.00 0.86 3.02 -1.01 -4.91 115.26 108.87 1n4h n ASN 192 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1n4h n ASN 192 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1n4h n ASN 192 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1n4h n HIS 193 N 0.00 0.00 -2.51 3.10 8.25 -1.20 -4.83 115.22 118.02 1n4h n HIS 193 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1n4h n HIS 193 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1n4h n HIS 193 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1n4h s LEU 194 N 0.00 4.52 0.02 2.41 1.98 -1.26 -4.30 118.68 122.05 1n4h s LEU 194 Ca 0.00 2.21 0.00 0.00 -2.89 0.00 0.00 54.13 53.45 1n4h s LEU 194 Cb 0.00 -3.68 0.00 0.00 0.66 0.00 0.00 46.19 43.17 1n4h s LEU 194 CO 0.00 -0.14 0.00 0.47 -1.89 0.00 0.00 176.35 174.79 1n4h n ASP 195 N 1.10 -7.65 0.00 3.68 9.92 -1.26 -5.07 116.55 117.26 1n4h n ASP 195 Ca -0.01 1.38 0.00 0.00 -0.53 0.00 0.00 54.79 55.63 1n4h n ASP 195 Cb 0.45 -4.14 0.00 0.00 -0.64 0.00 0.00 41.12 36.79 1n4h n ASP 195 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1n4h n ASP 196 N 1.37 0.00 0.00 -2.24 5.68 -1.26 -4.86 116.55 115.24 1n4h n ASP 196 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1n4h n ASP 196 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1n4h n ASP 196 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1n4h n GLU 197 N 0.00 0.00 -0.17 0.11 2.13 -1.26 -4.97 120.64 116.49 1n4h n GLU 197 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1n4h n GLU 197 Cb 0.00 -0.01 -0.01 0.00 0.27 0.00 0.00 31.44 31.68 1n4h n GLU 197 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1n4h h THR 198 N 0.00 0.16 -0.44 6.31 2.02 -1.96 0.39 112.91 119.40 1n4h h THR 198 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1n4h h THR 198 Cb 0.00 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 1n4h h THR 198 CO 0.00 0.00 0.24 0.25 0.37 0.00 0.00 175.52 176.38 1n4h h LEU 199 N -0.22 0.36 -0.88 2.58 6.46 -1.96 0.95 115.31 122.59 1n4h h LEU 199 Ca 0.19 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1n4h h LEU 199 Cb 0.55 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1n4h h LEU 199 CO -0.63 0.26 0.54 0.00 -0.62 0.00 0.00 178.44 177.99 1n4h h ALA 200 N 1.22 1.13 -0.36 1.25 0.00 -1.66 0.60 119.26 121.44 1n4h h ALA 200 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1n4h h ALA 200 Cb 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1n4h h ALA 200 CO -0.11 0.57 -0.14 0.87 0.00 0.00 0.00 179.25 180.45 1n4h h LYS 201 N 1.21 0.63 0.11 0.00 1.57 0.48 -0.75 116.57 119.82 1n4h h LYS 201 Ca 0.32 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1n4h h LYS 201 Cb -0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1n4h h LYS 201 CO -0.06 0.75 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.44 1n4h h LEU 202 N 0.57 -0.13 -1.32 2.94 3.38 -0.10 -3.06 115.31 117.60 1n4h h LEU 202 Ca 0.10 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.86 1n4h h LEU 202 Cb 0.57 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1n4h h LEU 202 CO 0.04 0.27 0.54 0.40 0.09 0.00 0.00 178.44 179.77 1n4h h ILE 203 N -0.54 0.92 0.00 1.22 2.04 -0.78 -0.08 117.51 120.29 1n4h h ILE 203 Ca -0.02 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1n4h h ILE 203 Cb 0.44 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1n4h h ILE 203 CO 0.03 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.31 1n4h n ALA 204 N -2.44 1.49 0.80 1.87 0.00 -0.30 -1.95 120.51 119.98 1n4h n ALA 204 Ca 0.14 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.80 1n4h n ALA 204 Cb 0.36 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 18.69 1n4h n ALA 204 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n4h n LYS 205 N -2.16 0.14 -0.15 0.00 5.02 -0.05 -4.34 118.16 116.63 1n4h n LYS 205 Ca 0.01 0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.27 1n4h n LYS 205 Cb 0.17 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 1n4h n LYS 205 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1n4h h ILE 206 N 0.00 0.19 -0.18 -0.18 1.08 -1.44 0.55 117.51 117.54 1n4h h ILE 206 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1n4h h ILE 206 Cb 0.62 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1n4h h ILE 206 CO 0.00 0.00 0.13 1.55 -0.69 0.00 0.00 178.15 179.14 1n4h h PRO 207 N -0.23 0.00 -0.24 2.37 0.13 -1.81 -1.57 132.00 130.65 1n4h h PRO 207 Ca 0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 1n4h h PRO 207 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1n4h h PRO 207 CO -0.59 0.00 -0.32 1.15 -0.23 0.00 0.00 178.00 178.02 1n4h h THR 208 N 0.00 1.32 -0.76 1.56 2.02 -1.19 -1.63 112.91 114.23 1n4h h THR 208 Ca 0.08 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 65.80 1n4h h THR 208 Cb 0.35 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1n4h h THR 208 CO -0.00 0.47 0.47 0.40 0.37 0.00 0.00 175.52 177.24 1n4h h ILE 209 N 0.34 1.08 -0.42 3.11 2.04 -0.33 -1.89 117.51 121.44 1n4h h ILE 209 Ca 0.03 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1n4h h ILE 209 Cb 0.89 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1n4h h ILE 209 CO 0.07 0.17 -0.13 0.74 0.00 0.00 0.00 178.15 179.00 1n4h h THR 210 N 0.90 1.26 -0.56 -0.27 2.02 -1.30 -2.74 112.91 112.23 1n4h h THR 210 Ca 0.32 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1n4h h THR 210 Cb 0.07 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1n4h h THR 210 CO -0.13 0.41 -0.01 0.00 0.37 0.00 0.00 175.52 176.15 1n4h h ALA 211 N 1.16 0.91 -0.39 6.16 0.00 -0.65 -0.59 119.26 125.86 1n4h h ALA 211 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1n4h h ALA 211 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1n4h h ALA 211 CO 0.04 0.64 0.15 0.28 0.00 0.00 0.00 179.25 180.37 1n4h h VAL 212 N 0.90 1.20 -0.26 0.00 2.07 -1.25 -1.53 116.25 117.38 1n4h h VAL 212 Ca 0.16 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1n4h h VAL 212 Cb 0.54 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1n4h h VAL 212 CO 0.03 0.22 -0.27 0.00 0.02 0.00 0.00 177.57 177.57 1n4h h ASN 214 N 0.45 0.77 -0.68 0.00 2.35 -0.98 -1.57 115.58 115.92 1n4h h ASN 214 Ca 0.06 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1n4h h ASN 214 Cb 0.71 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1n4h h ASN 214 CO 0.05 1.03 0.39 0.25 -1.65 0.00 0.00 177.43 177.50 1n4h h LEU 215 N 0.63 0.85 0.03 1.61 5.85 -0.90 0.18 115.31 123.55 1n4h h LEU 215 Ca 0.07 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1n4h h LEU 215 Cb 0.84 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1n4h h LEU 215 CO 0.07 0.68 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.10 1n4h h HIS 216 N 0.96 -0.03 -0.89 1.25 2.76 -0.75 -0.05 115.15 118.40 1n4h h HIS 216 Ca 0.25 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 1n4h h HIS 216 Cb 0.01 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 28.92 1n4h h HIS 216 CO 0.01 -0.00 0.55 0.78 -1.30 0.00 0.00 177.93 177.96 1n4h h GLY 217 N -0.05 1.37 0.82 5.26 0.00 -0.38 -0.76 103.07 109.33 1n4h h GLY 217 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1n4h h GLY 217 CO 0.01 0.23 -0.00 0.83 0.00 0.00 0.00 176.54 177.60 1n4h h GLU 218 N 0.96 -0.01 -0.70 4.80 5.08 -0.49 -0.84 114.58 123.39 1n4h h GLU 218 Ca 0.40 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1n4h h GLU 218 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1n4h h GLU 218 CO -0.20 0.18 0.46 0.87 -1.00 0.00 0.00 179.01 179.31 1n4h h LYS 219 N -0.19 0.78 -0.31 2.33 1.79 -0.64 -2.03 116.57 118.30 1n4h h LYS 219 Ca -0.00 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1n4h h LYS 219 Cb 0.19 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1n4h h LYS 219 CO 0.00 0.52 -0.06 1.25 -1.08 0.00 0.00 179.45 180.07 1n4h h LEU 220 N 0.80 0.59 -0.87 2.94 5.85 -0.87 -2.12 115.31 121.64 1n4h h LEU 220 Ca 0.28 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1n4h h LEU 220 Cb 0.12 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1n4h h LEU 220 CO -0.08 0.81 0.51 1.56 -0.34 0.00 0.00 178.44 180.90 1n4h h GLN 221 N 0.36 0.84 -0.44 1.25 1.08 -0.44 0.80 115.11 118.56 1n4h h GLN 221 Ca 0.08 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 1n4h h GLN 221 Cb 0.55 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1n4h h GLN 221 CO 0.03 0.56 -0.22 0.28 -0.95 0.00 0.00 178.83 178.52 1n4h h VAL 222 N 0.87 1.27 -0.89 -0.54 2.07 -1.38 -2.64 116.25 115.01 1n4h h VAL 222 Ca 0.41 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1n4h h VAL 222 Cb 0.35 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1n4h h VAL 222 CO -0.24 0.47 0.59 0.15 0.02 0.00 0.00 177.57 178.57 1n4h h PHE 223 N 0.77 1.11 -0.36 1.57 3.57 -0.53 -0.31 116.94 122.76 1n4h h PHE 223 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1n4h h PHE 223 Cb 0.80 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1n4h h PHE 223 CO 0.06 0.68 0.16 -0.22 -2.23 0.00 0.00 178.31 176.76 1n4h h LYS 224 N 1.18 0.49 0.46 1.11 3.64 -0.58 0.31 116.57 123.17 1n4h h LYS 224 Ca 0.34 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1n4h h LYS 224 Cb -0.09 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1n4h h LYS 224 CO -0.08 0.39 -0.22 1.96 -2.27 0.00 0.00 179.45 179.23 1n4h h GLN 225 N 0.49 -0.59 -0.61 1.90 4.20 -0.73 -1.85 115.11 117.92 1n4h h GLN 225 Ca 0.13 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1n4h h GLN 225 Cb 0.06 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1n4h h GLN 225 CO -0.02 -0.30 0.08 0.77 -0.67 0.00 0.00 178.83 178.69 1n4h h SER 226 N -0.82 0.99 -2.07 1.46 0.02 -1.06 -3.37 113.55 108.70 1n4h h SER 226 Ca -0.06 -0.27 -0.57 0.00 -0.84 0.00 0.00 61.79 60.05 1n4h h SER 226 Cb 0.56 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 62.43 1n4h h SER 226 CO 0.10 1.01 -0.92 1.41 -1.14 0.00 0.00 176.83 177.29 1n4h n HIS 227 N -4.27 1.17 -0.13 3.45 8.25 0.10 -4.96 115.22 118.84 1n4h n HIS 227 Ca 0.03 -3.79 -0.05 0.00 -0.26 0.00 0.00 57.72 53.65 1n4h n HIS 227 Cb 0.29 -0.43 0.03 0.00 1.12 0.00 0.00 29.99 31.00 1n4h n HIS 227 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1n4h h PRO 228 N 3.98 0.33 -0.37 -0.41 0.13 -1.50 -3.02 132.00 131.14 1n4h h PRO 228 Ca 0.12 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.26 1n4h h PRO 228 Cb 0.80 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1n4h h PRO 228 CO 0.60 0.22 0.17 0.22 -0.23 0.00 0.00 178.00 178.98 1n4h h ASP 229 N 0.34 0.24 -0.87 1.44 3.58 -1.93 -2.07 116.42 117.14 1n4h h ASP 229 Ca 0.19 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.78 1n4h h ASP 229 Cb 0.15 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.12 1n4h h ASP 229 CO -0.17 0.18 0.56 0.40 -2.88 0.00 0.00 179.24 177.33 1n4h h ILE 230 N 0.35 0.90 -0.02 2.25 5.03 -1.93 0.63 117.51 124.71 1n4h h ILE 230 Ca 0.16 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 64.62 1n4h h ILE 230 Cb 0.09 0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 33.94 1n4h h ILE 230 CO -0.12 0.14 -0.04 0.58 -0.68 0.00 0.00 178.15 178.03 1n4h h VAL 231 N 0.76 1.42 0.00 1.67 2.07 -1.35 0.82 116.25 121.64 1n4h h VAL 231 Ca 0.42 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1n4h h VAL 231 Cb 0.57 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1n4h h VAL 231 CO -0.19 0.34 0.00 0.78 0.02 0.00 0.00 177.57 178.53 1n4h h ASN 232 N -0.45 0.00 0.00 0.57 2.35 -1.07 -3.27 115.58 113.72 1n4h h ASN 232 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n4h h ASN 232 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1n4h h ASN 232 CO 0.01 0.00 -0.84 0.35 -1.65 0.00 0.00 177.43 175.30 1n4h n THR 233 N -2.96 0.00 -0.06 2.81 -2.24 0.18 -4.87 114.28 107.15 1n4h n THR 233 Ca 0.03 -0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1n4h n THR 233 Cb 0.45 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1n4h n THR 233 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n4h n LEU 234 N -1.43 2.95 -4.73 3.22 4.77 0.22 -5.03 117.00 116.98 1n4h n LEU 234 Ca -0.00 -0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.57 1n4h n LEU 234 Cb 0.02 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 40.80 1n4h n LEU 234 CO 0.02 0.68 0.83 -0.36 -1.33 0.00 0.00 177.39 177.23 1n4h s PHE 235 N -2.22 2.10 0.27 -1.77 0.40 -0.82 -4.91 117.98 111.03 1n4h s PHE 235 Ca -0.15 1.56 -0.31 0.00 -0.60 0.00 0.00 56.93 57.44 1n4h s PHE 235 Cb 0.04 -3.53 -0.12 0.00 0.51 0.00 0.00 43.02 39.93 1n4h s PHE 235 CO 0.26 -2.63 1.63 -2.30 0.70 0.00 0.00 175.22 172.87 1n4h n PRO 236 N -2.37 2.72 -0.28 0.24 -0.02 -1.26 -4.84 135.00 129.19 1n4h n PRO 236 Ca 0.14 0.97 0.10 0.00 -2.02 0.00 0.00 63.50 62.69 1n4h n PRO 236 Cb 0.50 -2.77 0.24 0.00 -0.02 0.00 0.00 33.50 31.45 1n4h n PRO 236 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n4h h PRO 237 N 5.25 0.22 -0.49 0.52 0.11 -1.94 0.50 132.00 136.16 1n4h h PRO 237 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1n4h h PRO 237 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1n4h h PRO 237 CO 0.83 0.15 0.19 1.25 -0.21 0.00 0.00 178.00 180.21 1n4h h LEU 238 N 0.23 0.64 -0.53 2.35 5.85 -1.99 -0.84 115.31 121.02 1n4h h LEU 238 Ca 0.49 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.07 1n4h h LEU 238 Cb 0.93 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1n4h h LEU 238 CO -0.60 0.59 0.06 0.22 -0.34 0.00 0.00 178.44 178.36 1n4h h TYR 239 N 0.70 0.97 -0.36 1.25 5.03 -1.28 -0.96 116.97 122.31 1n4h h TYR 239 Ca 0.17 -0.15 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1n4h h TYR 239 Cb 0.15 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 1n4h h TYR 239 CO 0.01 0.87 0.11 -0.22 -1.32 0.00 0.00 178.16 177.61 1n4h h LYS 240 N 0.78 0.57 -0.93 1.82 3.64 -0.83 -2.19 116.57 119.44 1n4h h LYS 240 Ca 0.16 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1n4h h LYS 240 Cb 0.45 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1n4h h LYS 240 CO 0.02 0.59 0.59 1.49 -2.27 0.00 0.00 179.45 179.86 1n4h h GLU 241 N 0.44 1.24 0.08 1.90 4.81 -0.90 -0.53 114.58 121.62 1n4h h GLU 241 Ca 0.12 -0.09 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 1n4h h GLU 241 Cb 0.26 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1n4h h GLU 241 CO -0.00 0.85 -1.14 -0.07 -0.73 0.00 0.00 179.01 177.92 1n4h h LEU 242 N 1.27 0.34 -3.12 1.64 3.38 -1.09 -3.36 115.31 114.37 1n4h h LEU 242 Ca 0.34 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n4h h LEU 242 Cb -0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1n4h h LEU 242 CO -0.07 1.24 0.00 0.49 0.09 0.00 0.00 178.44 180.20 1n4h n PHE 243 N -3.53 0.54 -0.92 1.13 3.01 -0.83 -5.00 117.46 111.86 1n4h n PHE 243 Ca -0.06 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.57 1n4h n PHE 243 Cb 0.97 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 1n4h n PHE 243 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86