#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9a h TYR 24 N 0.00 0.32 -0.39 -1.77 3.20 -1.99 -2.31 116.97 114.03 1n9a h TYR 24 Ca 0.00 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 1n9a h TYR 24 Cb 0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1n9a h TYR 24 CO 0.00 -0.08 -0.17 0.77 -1.64 0.00 0.00 178.16 177.04 1n9a h SER 25 N 0.28 0.82 0.12 -2.11 0.02 -1.96 -3.18 113.55 107.54 1n9a h SER 25 Ca 0.43 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1n9a h SER 25 Cb 0.75 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1n9a h SER 25 CO -0.52 1.04 0.00 0.18 -1.14 0.00 0.00 176.83 176.39 1n9a n LEU 26 N -4.27 0.00 -4.75 5.07 4.77 -0.90 -4.84 117.00 112.07 1n9a n LEU 26 Ca -0.02 0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.70 1n9a n LEU 26 Cb 0.41 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1n9a n LEU 26 CO 0.44 -0.00 0.74 -0.13 -1.33 0.00 0.00 177.39 177.10 1n9a s ARG 27 N -2.13 2.29 0.31 3.23 0.52 -1.00 -4.96 118.95 117.22 1n9a s ARG 27 Ca 0.42 1.44 0.16 0.00 -0.52 0.00 0.00 55.73 57.22 1n9a s ARG 27 Cb 0.21 -1.88 0.39 0.00 0.52 0.00 0.00 34.95 34.18 1n9a s ARG 27 CO 0.37 -1.66 1.59 -1.35 0.02 0.00 0.00 175.30 174.28 1n9a h PRO 28 N -0.58 0.00 0.00 3.54 0.11 -1.90 -3.27 132.00 129.90 1n9a h PRO 28 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1n9a h PRO 28 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1n9a h PRO 28 CO 0.51 0.49 -0.37 1.05 -0.21 0.00 0.00 178.00 179.47 1n9a h GLU 29 N 0.00 0.00 0.00 1.05 9.09 -1.94 -3.17 114.58 119.61 1n9a h GLU 29 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 1n9a h GLU 29 Cb 1.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1n9a h GLU 29 CO 0.06 0.22 -0.01 1.25 0.05 0.00 0.00 179.01 180.58 1n9a h HIS 30 N 0.00 0.00 0.00 2.06 2.76 -1.85 -0.80 115.15 117.32 1n9a h HIS 30 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1n9a h HIS 30 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1n9a h HIS 30 CO 0.00 0.01 0.00 0.00 -1.30 0.00 0.00 177.93 176.64 1n9a n ALA 31 N -2.13 1.75 1.09 5.26 0.00 -1.20 -1.02 120.51 124.27 1n9a n ALA 31 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1n9a n ALA 31 Cb 0.15 -1.24 0.36 0.00 0.00 0.00 0.00 19.45 18.71 1n9a n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n9a n ARG 32 N -1.41 0.25 -0.03 0.00 1.74 -0.31 -3.40 116.66 113.51 1n9a n ARG 32 Ca 0.05 -0.13 0.06 0.00 -0.77 0.00 0.00 57.85 57.06 1n9a n ARG 32 Cb 0.15 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.40 1n9a n ARG 32 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1n9a n GLU 33 N -1.26 1.21 -1.32 5.56 -0.58 -0.19 -4.86 120.64 119.20 1n9a n GLU 33 Ca 0.08 -0.32 -0.33 0.00 -0.42 0.00 0.00 57.16 56.18 1n9a n GLU 33 Cb 0.33 -1.21 0.10 0.00 -0.57 0.00 0.00 31.44 30.09 1n9a n GLU 33 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1n9a s ARG 34 N -1.91 2.06 0.14 3.49 6.06 -1.22 -3.92 118.95 123.65 1n9a s ARG 34 Ca 0.19 1.56 -0.31 0.00 -2.50 0.00 0.00 55.73 54.67 1n9a s ARG 34 Cb 0.09 -1.84 -0.10 0.00 0.06 0.00 0.00 34.95 33.16 1n9a s ARG 34 CO 0.15 -1.85 1.70 -1.17 -2.50 0.00 0.00 175.30 171.63 1n9a s LEU 35 N -5.50 4.38 -0.57 -0.88 2.96 -1.26 -4.98 118.68 112.84 1n9a s LEU 35 Ca 0.69 2.69 -0.19 0.00 -0.22 0.00 0.00 54.13 57.10 1n9a s LEU 35 Cb -0.24 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 42.95 1n9a s LEU 35 CO 0.49 -0.93 0.71 -1.10 -1.32 0.00 0.00 176.35 174.19 1n9a s GLN 36 N 1.99 3.09 0.44 1.98 -1.52 -1.26 -4.91 119.66 119.46 1n9a s GLN 36 Ca 0.75 -1.08 0.23 0.00 -1.95 0.00 0.00 55.36 53.32 1n9a s GLN 36 Cb -0.45 -4.19 0.93 0.00 -0.22 0.00 0.00 33.01 29.08 1n9a s GLN 36 CO 0.33 -1.45 1.83 0.22 -0.25 0.00 0.00 175.29 175.98 1n9a h ASP 37 N 9.16 0.00 0.00 5.90 -0.00 -1.94 -3.46 116.42 126.08 1n9a h ASP 37 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1n9a h ASP 37 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 1n9a h ASP 37 CO 1.06 0.24 0.00 0.47 -0.00 0.00 0.00 179.24 181.01 1n9a n ASP 38 N -3.45 -3.28 0.00 2.28 8.00 -1.26 -2.34 116.55 116.50 1n9a n ASP 38 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1n9a n ASP 38 Cb 0.42 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 1n9a n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1n9a n SER 39 N -0.34 -0.37 -4.23 -2.24 7.64 -1.26 -4.89 113.62 107.93 1n9a n SER 39 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1n9a n SER 39 Cb 0.17 -1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 61.92 1n9a n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1n9a s VAL 40 N -2.31 5.00 -0.04 0.44 1.01 -0.99 -5.05 120.40 118.46 1n9a s VAL 40 Ca 0.00 -3.14 -0.24 0.00 0.00 0.00 0.00 61.98 58.60 1n9a s VAL 40 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1n9a s VAL 40 CO 0.00 -1.05 0.74 -1.83 0.00 0.00 0.00 175.10 172.96 1n9a s GLU 41 N -0.58 4.46 0.37 2.72 -1.05 -1.26 -4.96 118.70 118.39 1n9a s GLU 41 Ca 0.23 0.96 0.04 0.00 -0.15 0.00 0.00 54.97 56.05 1n9a s GLU 41 Cb -0.12 -3.44 -0.05 0.00 -0.44 0.00 0.00 34.13 30.08 1n9a s GLU 41 CO -0.08 0.08 0.06 0.95 0.95 0.00 0.00 175.26 177.22 1n9a s THR 42 N 0.70 1.18 0.57 1.83 -4.23 -1.26 -4.98 115.64 109.45 1n9a s THR 42 Ca 0.39 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.21 1n9a s THR 42 Cb -0.18 -2.68 0.45 0.00 1.34 0.00 0.00 72.50 71.42 1n9a s THR 42 CO 0.20 0.00 1.81 0.58 -0.54 0.00 0.00 174.62 176.66 1n9a h VAL 43 N 1.94 0.37 0.02 2.29 2.07 -2.00 -0.42 116.25 120.52 1n9a h VAL 43 Ca -0.40 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.96 1n9a h VAL 43 Cb 1.26 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1n9a h VAL 43 CO 0.69 0.00 -0.62 0.74 0.02 0.00 0.00 177.57 178.40 1n9a h THR 44 N 0.00 1.44 0.38 2.57 2.02 -1.94 -2.98 112.91 114.40 1n9a h THR 44 Ca 0.38 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.42 1n9a h THR 44 Cb 1.76 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 70.83 1n9a h THR 44 CO -0.00 0.62 -0.31 0.28 0.37 0.00 0.00 175.52 176.47 1n9a h SER 45 N -0.15 -0.82 -0.61 4.18 0.02 -1.47 -1.42 113.55 113.28 1n9a h SER 45 Ca -0.08 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1n9a h SER 45 Cb 1.35 0.27 -0.11 0.00 0.14 0.00 0.00 62.40 64.04 1n9a h SER 45 CO 0.12 -0.46 -0.46 0.40 -1.14 0.00 0.00 176.83 175.29 1n9a h ILE 46 N -0.70 0.06 -0.63 3.27 2.04 -1.52 0.38 117.51 120.41 1n9a h ILE 46 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1n9a h ILE 46 Cb 0.61 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1n9a h ILE 46 CO -0.02 0.00 0.33 -0.33 0.00 0.00 0.00 178.15 178.13 1n9a h GLU 47 N -0.22 0.90 -0.10 2.37 4.39 -1.37 -1.25 114.58 119.30 1n9a h GLU 47 Ca 0.17 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1n9a h GLU 47 Cb 0.56 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1n9a h GLU 47 CO -0.71 0.70 0.05 0.37 -1.16 0.00 0.00 179.01 178.26 1n9a h GLN 48 N 0.87 0.14 -0.15 2.33 5.75 -0.22 -1.65 115.11 122.17 1n9a h GLN 48 Ca 0.22 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.75 1n9a h GLN 48 Cb 0.07 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1n9a h GLN 48 CO -0.03 0.18 0.11 0.00 -2.65 0.00 0.00 178.83 176.45 1n9a h ALA 49 N 0.95 2.10 -0.17 3.38 0.00 -0.02 -0.50 119.26 125.00 1n9a h ALA 49 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1n9a h ALA 49 Cb 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1n9a h ALA 49 CO -0.01 -0.19 -0.18 0.87 0.00 0.00 0.00 179.25 179.74 1n9a h LYS 50 N 0.00 0.43 -0.35 0.00 1.57 -0.32 -2.52 116.57 115.38 1n9a h LYS 50 Ca 0.07 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1n9a h LYS 50 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1n9a h LYS 50 CO -0.00 0.80 0.09 0.28 -0.57 0.00 0.00 179.45 180.05 1n9a h VAL 51 N 0.07 1.22 -0.91 0.50 2.07 -0.70 -2.61 116.25 115.88 1n9a h VAL 51 Ca 0.03 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 66.96 1n9a h VAL 51 Cb 0.73 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 1n9a h VAL 51 CO 0.04 0.25 0.52 -0.33 0.02 0.00 0.00 177.57 178.07 1n9a h GLU 52 N 0.41 0.70 -0.26 1.57 5.08 -1.08 -0.14 114.58 120.87 1n9a h GLU 52 Ca 0.11 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1n9a h GLU 52 Cb 0.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1n9a h GLU 52 CO 0.00 0.47 -0.08 0.93 -1.00 0.00 0.00 179.01 179.32 1n9a h GLU 53 N 0.72 0.51 -0.17 2.33 4.39 -1.17 0.25 114.58 121.45 1n9a h GLU 53 Ca 0.50 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1n9a h GLU 53 Cb 0.69 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1n9a h GLU 53 CO -0.35 0.74 0.04 0.87 -1.16 0.00 0.00 179.01 179.16 1n9a h LYS 54 N 0.25 0.23 0.08 2.33 1.57 -0.98 -1.44 116.57 118.61 1n9a h LYS 54 Ca 0.06 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1n9a h LYS 54 Cb 0.57 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.85 1n9a h LYS 54 CO 0.03 0.22 -0.85 0.82 -0.57 0.00 0.00 179.45 179.10 1n9a h ILE 55 N 0.23 1.42 -0.26 1.86 1.08 -0.82 -3.06 117.51 117.96 1n9a h ILE 55 Ca 0.06 -2.35 0.06 0.00 -0.39 0.00 0.00 64.86 62.25 1n9a h ILE 55 Cb 0.09 2.85 -0.07 0.00 -3.07 0.00 0.00 36.82 36.62 1n9a h ILE 55 CO -0.00 0.68 -0.25 -0.61 -0.69 0.00 0.00 178.15 177.29 1n9a h GLN 56 N -0.10 -0.24 -0.74 2.37 5.75 0.04 0.28 115.11 122.48 1n9a h GLN 56 Ca -0.13 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.46 1n9a h GLN 56 Cb 1.59 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 30.09 1n9a h GLN 56 CO 0.16 -0.16 -0.56 0.93 -2.65 0.00 0.00 178.83 176.56 1n9a h GLU 57 N -0.25 -0.17 -0.65 1.69 5.08 -1.32 0.35 114.58 119.31 1n9a h GLU 57 Ca 0.14 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 1n9a h GLU 57 Cb 0.46 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1n9a h GLU 57 CO -0.40 -0.11 0.12 0.28 -1.00 0.00 0.00 179.01 177.90 1n9a h VAL 58 N -0.17 0.57 0.63 3.13 2.07 -1.13 0.35 116.25 121.70 1n9a h VAL 58 Ca 0.14 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1n9a h VAL 58 Cb 0.50 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1n9a h VAL 58 CO -0.79 0.04 -0.41 -0.26 0.02 0.00 0.00 177.57 176.18 1n9a h PHE 59 N 0.24 -1.10 0.00 1.57 0.05 0.13 -1.03 116.94 116.80 1n9a h PHE 59 Ca 0.35 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.13 1n9a h PHE 59 Cb 0.56 0.40 0.00 0.00 2.00 0.00 0.00 35.95 38.90 1n9a h PHE 59 CO -0.27 -0.60 0.00 0.43 -0.18 0.00 0.00 178.31 177.68 1n9a n SER 60 N -4.98 0.00 -0.32 2.17 7.64 0.92 -3.63 113.62 115.42 1n9a n SER 60 Ca -0.12 -0.18 0.08 0.00 1.01 0.00 0.00 58.87 59.67 1n9a n SER 60 Cb 0.41 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.80 1n9a n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1n9a h SER 61 N 0.00 -0.63 0.70 6.43 0.87 0.11 -2.39 113.55 118.64 1n9a h SER 61 Ca 0.00 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1n9a h SER 61 Cb 0.00 0.50 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1n9a h SER 61 CO 0.00 -0.30 -0.34 1.88 -0.53 0.00 0.00 176.83 177.54 1n9a h TYR 62 N 0.02 -0.88 -0.58 2.24 -1.99 -1.78 -3.09 116.97 110.91 1n9a h TYR 62 Ca 0.50 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 61.30 1n9a h TYR 62 Cb 0.89 0.29 -0.11 0.00 2.00 0.00 0.00 36.73 39.80 1n9a h TYR 62 CO -0.59 -0.52 -0.42 0.87 -0.00 0.00 0.00 178.16 177.50 1n9a h LYS 63 N -1.03 -0.21 -0.80 4.88 1.57 -1.71 -0.57 116.57 118.70 1n9a h LYS 63 Ca -0.10 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1n9a h LYS 63 Cb 0.75 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 1n9a h LYS 63 CO 0.16 -0.14 0.52 0.74 -0.57 0.00 0.00 179.45 180.16 1n9a h PHE 64 N -0.22 0.82 0.00 -1.35 -1.00 -1.58 -3.03 116.94 110.58 1n9a h PHE 64 Ca 0.19 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1n9a h PHE 64 Cb 0.56 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1n9a h PHE 64 CO -0.70 0.40 -0.70 0.09 -1.61 0.00 0.00 178.31 175.79 1n9a n ASN 65 N -4.50 0.62 -2.71 2.17 3.02 -0.44 -5.00 115.26 108.41 1n9a n ASN 65 Ca 0.13 -0.31 -0.13 0.00 -0.03 0.00 0.00 54.58 54.24 1n9a n ASN 65 Cb 0.28 0.47 0.06 0.00 -0.61 0.00 0.00 39.78 39.98 1n9a n ASN 65 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1n9a n HIS 66 N -1.66 -1.61 -4.37 3.10 8.25 -0.35 -5.05 115.22 113.53 1n9a n HIS 66 Ca 0.04 0.67 -0.19 0.00 -0.26 0.00 0.00 57.72 57.99 1n9a n HIS 66 Cb 0.37 -4.14 -0.10 0.00 1.12 0.00 0.00 29.99 27.23 1n9a n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1n9a s LEU 67 N -5.12 2.28 0.00 2.41 1.43 -1.25 -5.11 118.68 113.31 1n9a s LEU 67 Ca 0.05 -1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 51.74 1n9a s LEU 67 Cb -0.02 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.75 1n9a s LEU 67 CO 0.52 -0.47 0.52 -0.69 0.23 0.00 0.00 176.35 176.45 1n9a s VAL 68 N -3.29 4.93 0.16 -1.59 1.01 -1.26 -4.77 120.40 115.60 1n9a s VAL 68 Ca 0.30 1.08 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 1n9a s VAL 68 Cb 0.05 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1n9a s VAL 68 CO 0.10 0.49 1.59 -2.84 0.00 0.00 0.00 175.10 174.44 1n9a s PRO 69 N -0.56 4.21 -0.38 2.72 0.02 -1.26 -4.98 135.00 134.77 1n9a s PRO 69 Ca 0.28 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1n9a s PRO 69 Cb -0.18 -3.20 0.13 0.00 0.02 0.00 0.00 34.50 31.27 1n9a s PRO 69 CO 0.16 -0.64 0.20 0.50 -0.33 0.00 0.00 177.00 176.89 1n9a s ARG 70 N 1.34 0.86 -0.05 5.54 3.52 -1.26 -5.10 118.95 123.80 1n9a s ARG 70 Ca 0.71 -1.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 1n9a s ARG 70 Cb -0.44 -1.84 -0.06 0.00 -1.56 0.00 0.00 34.95 31.06 1n9a s ARG 70 CO 0.31 -1.14 1.68 -0.51 -0.81 0.00 0.00 175.30 174.83 1n9a s LEU 71 N 0.93 4.33 0.00 -0.88 1.02 -1.26 -4.96 118.68 117.86 1n9a s LEU 71 Ca 0.16 2.27 0.00 0.00 0.02 0.00 0.00 54.13 56.58 1n9a s LEU 71 Cb -0.22 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 1n9a s LEU 71 CO -0.06 -0.93 -0.01 -0.69 0.02 0.00 0.00 176.35 174.68 1n9a s VAL 72 N 4.07 0.06 -0.50 -1.59 1.01 -1.26 -2.11 120.40 120.08 1n9a s VAL 72 Ca 0.74 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 1n9a s VAL 72 Cb -0.34 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 36.00 1n9a s VAL 72 CO 0.30 -0.11 0.60 -0.22 0.00 0.00 0.00 175.10 175.67 1n9a s LEU 73 N -0.36 5.05 0.00 3.92 2.96 -1.26 -4.92 118.68 124.06 1n9a s LEU 73 Ca -0.04 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 1n9a s LEU 73 Cb -0.02 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1n9a s LEU 73 CO -0.00 -0.86 0.79 0.00 -1.32 0.00 0.00 176.35 174.96 1n9a n GLN 74 N 6.05 0.00 -0.33 1.98 1.13 -1.26 -4.58 117.38 120.37 1n9a n GLN 74 Ca -0.07 -0.35 0.12 0.00 -1.94 0.00 0.00 57.00 54.76 1n9a n GLN 74 Cb 0.45 -1.78 0.33 0.00 0.11 0.00 0.00 30.24 29.35 1n9a n GLN 74 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1n9a h ARG 75 N 7.23 0.76 -0.09 -1.09 2.43 -1.97 0.11 114.38 121.76 1n9a h ARG 75 Ca 0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 1n9a h ARG 75 Cb 0.00 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1n9a h ARG 75 CO 0.79 0.50 -0.48 0.93 -1.51 0.00 0.00 179.97 180.20 1n9a h GLU 76 N 0.78 0.48 -0.95 0.20 4.39 -1.99 -0.35 114.58 117.15 1n9a h GLU 76 Ca 0.52 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1n9a h GLU 76 Cb 0.78 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 1n9a h GLU 76 CO -0.29 1.03 0.60 -0.22 -1.16 0.00 0.00 179.01 178.97 1n9a h LYS 77 N 0.05 1.27 -0.37 2.33 1.63 -1.79 -0.47 116.57 119.22 1n9a h LYS 77 Ca -0.04 -0.10 -0.13 0.00 -0.85 0.00 0.00 60.65 59.54 1n9a h LYS 77 Cb 1.14 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1n9a h LYS 77 CO 0.10 0.87 -0.29 0.45 -3.45 0.00 0.00 179.45 177.12 1n9a h HIS 78 N 1.30 0.91 -0.56 1.91 3.86 -0.78 -2.61 115.15 119.18 1n9a h HIS 78 Ca 0.34 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1n9a h HIS 78 Cb -0.10 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1n9a h HIS 78 CO 0.00 0.98 -0.00 0.35 0.86 0.00 0.00 177.93 180.12 1n9a h PHE 79 N 0.67 1.05 0.00 2.45 3.57 -0.23 -1.24 116.94 123.22 1n9a h PHE 79 Ca 0.08 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.31 1n9a h PHE 79 Cb 0.83 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1n9a h PHE 79 CO 0.04 0.94 -0.45 0.45 -2.23 0.00 0.00 178.31 177.07 1n9a h HIS 80 N 0.90 0.00 0.19 0.41 3.86 -1.02 0.91 115.15 120.40 1n9a h HIS 80 Ca 0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1n9a h HIS 80 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1n9a h HIS 80 CO 0.03 0.45 -0.09 -0.92 0.86 0.00 0.00 177.93 178.26 1n9a h TYR 81 N 0.00 -0.24 -0.17 2.45 3.20 -1.15 -2.92 116.97 118.15 1n9a h TYR 81 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1n9a h TYR 81 Cb 0.99 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1n9a h TYR 81 CO 0.00 0.17 0.09 -0.07 -1.64 0.00 0.00 178.16 176.71 1n9a h LEU 82 N -0.84 0.14 -1.63 2.82 3.38 -1.21 -2.18 115.31 115.80 1n9a h LEU 82 Ca -0.03 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.10 1n9a h LEU 82 Cb 0.52 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1n9a h LEU 82 CO 0.04 0.11 0.50 0.50 0.09 0.00 0.00 178.44 179.69 1n9a h LYS 83 N 0.19 0.35 0.16 1.13 3.64 -0.90 -1.78 116.57 119.37 1n9a h LYS 83 Ca 0.07 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.17 1n9a h LYS 83 Cb 0.00 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1n9a h LYS 83 CO -0.04 0.23 -1.11 0.00 -2.27 0.00 0.00 179.45 176.27 1n9a h ARG 84 N 0.36 0.46 0.00 1.90 2.47 -1.28 -3.32 114.38 114.97 1n9a h ARG 84 Ca 0.37 -0.71 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 1n9a h ARG 84 Cb 0.92 0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1n9a h ARG 84 CO -0.11 1.33 -0.04 0.78 0.56 0.00 0.00 179.97 182.49 1n9a h GLY 85 N -0.05 0.00 2.00 0.04 0.00 -0.76 -1.12 103.07 103.18 1n9a h GLY 85 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1n9a h GLY 85 CO 0.21 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.75 1n9a h LEU 86 N 0.00 0.00 0.00 3.11 5.85 -1.44 -3.28 115.31 119.55 1n9a h LEU 86 Ca -0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 1n9a h LEU 86 Cb 0.43 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1n9a h LEU 86 CO 0.01 0.00 -2.47 -1.14 -0.34 0.00 0.00 178.44 174.50 1n9a n ARG 87 N -2.71 0.65 -3.57 1.25 3.00 -0.53 -5.06 116.66 109.69 1n9a n ARG 87 Ca 0.03 0.17 -0.11 0.00 -0.00 0.00 0.00 57.85 57.94 1n9a n ARG 87 Cb 0.36 -1.52 -0.05 0.00 0.00 0.00 0.00 32.46 31.25 1n9a n ARG 87 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1n9a s GLN 88 N -2.52 0.63 0.15 -0.14 -2.07 -0.59 -5.15 119.66 109.97 1n9a s GLN 88 Ca -0.35 0.15 0.08 0.00 -1.82 0.00 0.00 55.36 53.42 1n9a s GLN 88 Cb 0.10 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1n9a s GLN 88 CO 0.59 -0.20 -0.17 -0.51 -1.32 0.00 0.00 175.29 173.68 1n9a s LEU 89 N -1.12 2.42 1.01 2.60 1.43 -1.26 -4.20 118.68 119.56 1n9a s LEU 89 Ca -0.02 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.09 1n9a s LEU 89 Cb -0.00 -0.77 0.19 0.00 0.03 0.00 0.00 46.19 45.64 1n9a s LEU 89 CO 0.02 -0.05 1.16 0.42 0.23 0.00 0.00 176.35 178.13 1n9a s THR 90 N -2.01 1.89 -1.69 5.49 -4.23 -1.26 -4.88 115.64 108.95 1n9a s THR 90 Ca 0.14 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.74 1n9a s THR 90 Cb -0.06 -2.69 0.21 0.00 1.34 0.00 0.00 72.50 71.30 1n9a s THR 90 CO 0.06 0.00 1.09 -0.90 -0.54 0.00 0.00 174.62 174.33 1n9a n ASP 91 N -4.08 0.00 0.13 3.99 3.85 -1.26 -1.28 116.55 117.90 1n9a n ASP 91 Ca 0.10 -0.05 0.12 0.00 -0.71 0.00 0.00 54.79 54.25 1n9a n ASP 91 Cb 0.59 -0.15 0.48 0.00 -1.35 0.00 0.00 41.12 40.69 1n9a n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n9a n ALA 92 N -1.15 1.76 -0.92 2.12 0.00 -1.26 -1.96 120.51 119.09 1n9a n ALA 92 Ca 0.06 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1n9a n ALA 92 Cb 0.05 -1.40 0.39 0.00 0.00 0.00 0.00 19.45 18.50 1n9a n ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n9a n TYR 93 N -2.24 2.00 0.22 0.00 4.02 -0.40 -4.26 117.16 116.50 1n9a n TYR 93 Ca 0.03 -0.75 0.09 0.00 -0.01 0.00 0.00 57.90 57.25 1n9a n TYR 93 Cb 0.26 -0.50 0.48 0.00 -0.02 0.00 0.00 39.34 39.56 1n9a n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1n9a h GLU 94 N 3.78 0.00 0.00 -0.72 5.08 -1.58 -2.66 114.58 118.48 1n9a h GLU 94 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n9a h GLU 94 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1n9a h GLU 94 CO 0.48 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 1n9a n LEU 96 N -1.45 2.60 0.06 0.00 4.77 -1.00 -4.71 117.00 117.27 1n9a n LEU 96 Ca 0.07 -3.53 0.08 0.00 -0.03 0.00 0.00 56.01 52.60 1n9a n LEU 96 Cb 0.24 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 41.18 1n9a n LEU 96 CO 0.20 1.08 0.74 -0.67 -1.33 0.00 0.00 177.39 177.41 1n9a n ASP 97 N -1.25 0.26 -0.54 -1.43 2.03 -1.03 -1.30 116.55 113.29 1n9a n ASP 97 Ca 0.18 0.58 0.06 0.00 0.52 0.00 0.00 54.79 56.13 1n9a n ASP 97 Cb 0.68 -0.63 0.16 0.00 -0.72 0.00 0.00 41.12 40.62 1n9a n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n9a n ALA 98 N -1.61 2.44 -2.42 -1.67 0.00 -1.26 -4.52 120.51 111.47 1n9a n ALA 98 Ca 0.02 -1.75 -0.09 0.00 0.00 0.00 0.00 53.44 51.63 1n9a n ALA 98 Cb 0.15 -0.45 0.05 0.00 0.00 0.00 0.00 19.45 19.19 1n9a n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n9a n SER 99 N -0.30 2.83 -0.13 0.00 7.64 -0.42 -3.99 113.62 119.26 1n9a n SER 99 Ca 0.14 -2.80 -0.11 0.00 1.01 0.00 0.00 58.87 57.11 1n9a n SER 99 Cb 0.59 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1n9a n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1n9a h ARG 100 N 2.22 0.91 0.00 1.43 3.08 -1.00 -1.76 114.38 119.27 1n9a h ARG 100 Ca 0.06 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1n9a h ARG 100 Cb 1.41 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 1n9a h ARG 100 CO 0.39 1.06 -0.02 -1.35 -1.07 0.00 0.00 179.97 178.98 1n9a h PRO 101 N 0.78 0.00 -0.30 0.04 0.11 -1.83 -0.83 132.00 129.97 1n9a h PRO 101 Ca 0.09 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 1n9a h PRO 101 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1n9a h PRO 101 CO 0.07 0.02 -0.50 -1.49 -0.21 0.00 0.00 178.00 175.89 1n9a h TRP 102 N 0.00 1.07 -0.52 0.65 4.06 -1.64 -1.03 115.95 118.54 1n9a h TRP 102 Ca -0.00 -0.37 -0.04 0.00 2.06 0.00 0.00 58.89 60.54 1n9a h TRP 102 Cb 0.14 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 1n9a h TRP 102 CO 0.00 1.19 0.15 -0.07 -3.56 0.00 0.00 178.44 176.15 1n9a h LEU 103 N 0.65 0.72 -0.01 -4.49 3.38 -0.78 0.29 115.31 115.07 1n9a h LEU 103 Ca 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n9a h LEU 103 Cb 1.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1n9a h LEU 103 CO 0.11 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1n9a h TYR 105 N -0.18 -0.10 -0.50 0.00 3.20 -0.37 0.29 116.97 119.32 1n9a h TYR 105 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1n9a h TYR 105 Cb 0.20 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1n9a h TYR 105 CO -0.01 -0.06 0.25 -1.49 -1.64 0.00 0.00 178.16 175.22 1n9a h TRP 106 N -0.09 0.47 0.20 -3.82 6.55 -0.47 -0.83 115.95 117.95 1n9a h TRP 106 Ca -0.00 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1n9a h TRP 106 Cb 0.08 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 1n9a h TRP 106 CO -0.09 0.23 -0.10 0.82 -1.05 0.00 0.00 178.44 178.26 1n9a h ILE 107 N 0.50 0.88 0.00 1.49 2.04 -1.26 -1.80 117.51 119.35 1n9a h ILE 107 Ca 0.22 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1n9a h ILE 107 Cb 0.13 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1n9a h ILE 107 CO -0.15 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.35 1n9a n LEU 108 N -5.02 0.00 -0.03 1.44 4.32 0.10 -1.16 117.00 116.64 1n9a n LEU 108 Ca -0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.88 1n9a n LEU 108 Cb 0.25 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.99 1n9a n LEU 108 CO 0.30 -0.00 -0.73 1.57 -1.22 0.00 0.00 177.39 177.31 1n9a n HIS 109 N -1.00 0.00 -0.04 -1.77 -0.00 -0.33 -3.66 115.22 108.41 1n9a n HIS 109 Ca 0.07 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 1n9a n HIS 109 Cb 0.03 -0.35 -0.08 0.00 -0.12 0.00 0.00 29.99 29.47 1n9a n HIS 109 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1n9a h SER 110 N 0.00 0.40 -0.72 0.26 0.02 -0.42 -0.02 113.55 113.07 1n9a h SER 110 Ca -0.18 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 60.24 1n9a h SER 110 Cb 1.32 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1n9a h SER 110 CO 0.01 0.90 0.44 -0.07 -1.14 0.00 0.00 176.83 176.97 1n9a h LEU 111 N -0.08 0.69 -1.32 5.07 3.38 -1.37 0.18 115.31 121.87 1n9a h LEU 111 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1n9a h LEU 111 Cb 0.84 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1n9a h LEU 111 CO 0.05 0.46 0.50 -0.08 0.09 0.00 0.00 178.44 179.47 1n9a h GLU 112 N 0.83 0.80 0.01 1.13 4.81 -1.55 0.17 114.58 120.77 1n9a h GLU 112 Ca 0.30 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.26 1n9a h GLU 112 Cb 0.10 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1n9a h GLU 112 CO -0.14 0.53 -1.15 -0.07 -0.73 0.00 0.00 179.01 177.44 1n9a h LEU 113 N 0.82 0.04 -0.09 1.64 3.38 0.27 -3.12 115.31 118.26 1n9a h LEU 113 Ca 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1n9a h LEU 113 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1n9a h LEU 113 CO -0.11 1.04 0.00 0.18 0.09 0.00 0.00 178.44 179.63 1n9a n LEU 114 N -3.31 0.13 -1.94 1.67 4.77 0.52 -1.82 117.00 117.01 1n9a n LEU 114 Ca -0.04 -0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.67 1n9a n LEU 114 Cb 0.97 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.99 1n9a n LEU 114 CO 0.47 0.03 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.66 1n9a n ASP 115 N -0.61 -5.70 -4.90 -1.43 2.03 -0.49 -4.97 116.55 100.47 1n9a n ASP 115 Ca 0.10 0.29 -0.29 0.00 0.52 0.00 0.00 54.79 55.41 1n9a n ASP 115 Cb 0.06 -4.90 0.03 0.00 -0.72 0.00 0.00 41.12 35.59 1n9a n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1n9a s GLU 116 N -4.32 3.09 0.44 -0.67 0.41 0.46 -5.01 118.70 113.10 1n9a s GLU 116 Ca 0.00 0.30 -0.22 0.00 -0.41 0.00 0.00 54.97 54.64 1n9a s GLU 116 Cb 0.00 -2.17 -0.09 0.00 -1.78 0.00 0.00 34.13 30.09 1n9a s GLU 116 CO 0.00 -0.72 1.04 -1.25 -0.49 0.00 0.00 175.26 173.83 1n9a s PRO 117 N -5.11 3.99 -0.64 0.39 0.04 -1.26 -4.56 135.00 127.85 1n9a s PRO 117 Ca 0.55 1.41 0.05 0.00 0.04 0.00 0.00 61.00 63.05 1n9a s PRO 117 Cb -0.11 -2.30 0.18 0.00 0.04 0.00 0.00 34.50 32.31 1n9a s PRO 117 CO 0.49 -0.28 0.48 -0.89 0.04 0.00 0.00 177.00 176.84 1n9a n ILE 118 N -0.55 1.09 -1.00 0.56 2.08 -1.26 -5.03 119.36 115.26 1n9a n ILE 118 Ca 0.07 -4.60 -0.39 0.00 0.56 0.00 0.00 62.75 58.39 1n9a n ILE 118 Cb 0.51 -2.08 -0.05 0.00 -0.75 0.00 0.00 39.64 37.27 1n9a n ILE 118 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1n9a n PRO 119 N 2.06 0.00 0.00 0.38 -0.02 -1.26 -4.55 135.00 131.61 1n9a n PRO 119 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1n9a n PRO 119 Cb 0.38 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1n9a n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n9a n GLN 120 N 1.20 0.00 -0.11 -0.52 6.02 -1.26 -0.76 117.38 121.95 1n9a n GLN 120 Ca 0.14 0.25 -0.16 0.00 -0.01 0.00 0.00 57.00 57.22 1n9a n GLN 120 Cb 0.04 -1.57 -0.10 0.00 1.02 0.00 0.00 30.24 29.63 1n9a n GLN 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1n9a n ILE 121 N -1.21 1.26 -0.11 5.09 -0.00 -1.26 -4.08 119.36 119.05 1n9a n ILE 121 Ca 0.00 -0.47 -0.13 0.00 -0.00 0.00 0.00 62.75 62.16 1n9a n ILE 121 Cb 0.07 -1.32 -0.03 0.00 -0.00 0.00 0.00 39.64 38.36 1n9a n ILE 121 CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 1n9a h VAL 122 N -0.07 1.29 -0.76 1.39 3.04 -1.27 -2.01 116.25 117.86 1n9a h VAL 122 Ca -0.50 -1.39 0.05 0.00 -1.01 0.00 0.00 66.70 63.85 1n9a h VAL 122 Cb 1.74 1.45 -0.05 0.00 -2.01 0.00 0.00 31.29 32.43 1n9a h VAL 122 CO -0.10 0.45 0.50 0.00 -1.01 0.00 0.00 177.57 177.41 1n9a h ALA 123 N 0.75 1.61 -0.12 3.17 0.00 -1.38 0.10 119.26 123.40 1n9a h ALA 123 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1n9a h ALA 123 Cb 0.80 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1n9a h ALA 123 CO 0.06 0.28 -0.02 1.15 0.00 0.00 0.00 179.25 180.73 1n9a h THR 124 N 0.86 1.28 -0.68 0.00 2.02 -1.64 -0.37 112.91 114.38 1n9a h THR 124 Ca 0.32 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.66 1n9a h THR 124 Cb 0.17 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1n9a h THR 124 CO -0.10 0.26 0.37 0.44 0.37 0.00 0.00 175.52 176.86 1n9a h ASP 125 N -0.07 0.53 -0.34 4.18 3.32 -0.58 0.61 116.42 124.06 1n9a h ASP 125 Ca 0.03 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1n9a h ASP 125 Cb 0.42 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1n9a h ASP 125 CO 0.01 0.33 0.18 0.58 -1.72 0.00 0.00 179.24 178.62 1n9a h VAL 126 N 0.66 1.00 -0.86 -1.35 2.07 -0.62 0.58 116.25 117.73 1n9a h VAL 126 Ca 0.31 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1n9a h VAL 126 Cb 0.24 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1n9a h VAL 126 CO -0.21 0.07 0.56 0.00 0.02 0.00 0.00 177.57 178.00 1n9a h GLN 128 N 1.10 0.72 -0.09 0.00 4.15 0.94 -2.17 115.11 119.76 1n9a h GLN 128 Ca 0.33 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 1n9a h GLN 128 Cb -0.04 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1n9a h GLN 128 CO -0.10 0.92 -0.20 0.35 -1.93 0.00 0.00 178.83 177.87 1n9a h PHE 129 N 0.61 0.38 -0.23 3.99 3.57 0.69 -3.02 116.94 122.93 1n9a h PHE 129 Ca 0.08 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1n9a h PHE 129 Cb 0.79 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1n9a h PHE 129 CO 0.04 0.81 0.11 -0.07 -2.23 0.00 0.00 178.31 176.97 1n9a h LEU 130 N -0.16 0.27 -1.61 0.59 3.38 -0.96 0.13 115.31 116.95 1n9a h LEU 130 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1n9a h LEU 130 Cb 0.79 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1n9a h LEU 130 CO 0.04 0.24 0.09 -0.08 0.09 0.00 0.00 178.44 178.83 1n9a h GLU 131 N 0.32 0.35 0.00 1.13 4.81 -1.31 0.38 114.58 120.26 1n9a h GLU 131 Ca 0.08 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1n9a h GLU 131 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1n9a h GLU 131 CO -0.01 0.30 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.14 1n9a h LEU 132 N 0.35 0.00 0.04 1.64 3.38 -0.64 -3.19 115.31 116.89 1n9a h LEU 132 Ca 0.09 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 1n9a h LEU 132 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1n9a h LEU 132 CO -0.01 0.35 -1.29 0.00 0.09 0.00 0.00 178.44 177.59 1n9a s GLN 134 N -2.66 4.10 0.09 0.00 0.74 0.01 -0.91 119.66 121.03 1n9a s GLN 134 Ca -0.03 2.59 -0.08 0.00 0.05 0.00 0.00 55.36 57.88 1n9a s GLN 134 Cb 0.08 -2.98 -0.06 0.00 1.10 0.00 0.00 33.01 31.16 1n9a s GLN 134 CO 0.84 -0.58 0.39 0.45 -0.55 0.00 0.00 175.29 175.84 1n9a s SER 135 N 0.06 6.60 0.13 6.67 0.15 0.23 -4.89 113.70 122.64 1n9a s SER 135 Ca 0.56 0.73 0.14 0.00 0.70 0.00 0.00 55.95 58.09 1n9a s SER 135 Cb -0.47 -2.15 0.66 0.00 -1.71 0.00 0.00 66.02 62.34 1n9a s SER 135 CO 0.59 0.14 1.44 -0.81 1.20 0.00 0.00 173.24 175.81 1n9a n PRO 136 N 0.71 0.08 -0.13 5.44 -0.04 -1.26 0.03 135.00 139.83 1n9a n PRO 136 Ca -0.07 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1n9a n PRO 136 Cb 0.52 -1.69 0.23 0.00 -0.04 0.00 0.00 33.50 32.52 1n9a n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1n9a n ASP 137 N -1.84 3.03 0.00 3.54 8.00 -1.26 -5.04 116.55 122.98 1n9a n ASP 137 Ca 0.01 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1n9a n ASP 137 Cb 0.11 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1n9a n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n9a n GLY 138 N 1.41 1.48 1.16 0.44 0.00 0.10 -3.90 105.19 105.88 1n9a n GLY 138 Ca 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1n9a n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9a n GLY 139 N 1.44 -2.44 3.23 -0.02 0.00 -1.26 -4.38 105.19 101.76 1n9a n GLY 139 Ca 0.00 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 1n9a n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n9a s PHE 140 N -0.81 1.60 0.40 1.61 0.40 -1.26 -0.60 117.98 119.31 1n9a s PHE 140 Ca 0.00 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1n9a s PHE 140 Cb 0.00 -0.91 0.07 0.00 0.51 0.00 0.00 43.02 42.70 1n9a s PHE 140 CO 0.00 0.13 0.55 0.41 0.70 0.00 0.00 175.22 177.01 1n9a n GLY 141 N 1.40 1.50 0.01 4.36 0.00 -0.09 -0.71 105.19 111.66 1n9a n GLY 141 Ca -0.19 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 43.84 1n9a n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9a n GLY 142 N 0.40 -1.40 3.87 -0.02 0.00 -1.26 -4.64 105.19 102.15 1n9a n GLY 142 Ca 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.98 1n9a n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n9a s GLY 143 N -2.93 -0.20 0.20 -0.02 0.00 -1.26 -0.74 107.32 102.37 1n9a s GLY 143 Ca 0.16 0.21 -0.33 0.00 0.00 0.00 0.00 44.72 44.76 1n9a s GLY 143 CO 0.55 3.84 1.45 -1.05 0.00 0.00 0.00 173.10 177.90 1n9a n PRO 144 N -0.77 1.97 -0.98 2.90 -0.02 -1.26 -1.97 135.00 134.86 1n9a n PRO 144 Ca -0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1n9a n PRO 144 Cb 0.60 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1n9a n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n9a n GLY 145 N 2.65 0.87 3.86 -1.23 0.00 -1.23 -5.00 105.19 105.10 1n9a n GLY 145 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1n9a n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n9a s GLN 146 N -0.02 3.91 0.40 1.61 -0.21 -0.83 -5.03 119.66 119.49 1n9a s GLN 146 Ca 0.00 0.41 -0.27 0.00 0.02 0.00 0.00 55.36 55.53 1n9a s GLN 146 Cb 0.00 -2.81 -0.10 0.00 1.00 0.00 0.00 33.01 31.10 1n9a s GLN 146 CO 0.00 0.41 1.37 0.66 -2.12 0.00 0.00 175.29 175.61 1n9a n TYR 147 N 0.41 2.53 -1.77 0.91 0.53 -1.26 -3.96 117.16 114.56 1n9a n TYR 147 Ca -0.03 0.48 -0.38 0.00 -1.02 0.00 0.00 57.90 56.96 1n9a n TYR 147 Cb 0.52 -2.45 0.05 0.00 -1.03 0.00 0.00 39.34 36.44 1n9a n TYR 147 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 1n9a s PRO 148 N -2.16 2.86 -0.05 -0.72 0.04 -1.26 -4.28 135.00 129.44 1n9a s PRO 148 Ca 0.58 2.15 -0.10 0.00 0.04 0.00 0.00 61.00 63.66 1n9a s PRO 148 Cb -0.50 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.00 1n9a s PRO 148 CO 0.61 -1.38 0.25 -1.58 0.04 0.00 0.00 177.00 174.93 1n9a s HIS 149 N -1.35 -0.18 0.38 0.56 2.46 0.11 -4.62 115.29 112.65 1n9a s HIS 149 Ca 0.77 0.39 0.11 0.00 0.47 0.00 0.00 55.06 56.80 1n9a s HIS 149 Cb -0.39 0.06 0.76 0.00 -0.13 0.00 0.00 32.58 32.88 1n9a s HIS 149 CO 0.44 -0.24 1.87 -0.07 -2.47 0.00 0.00 174.74 174.26 1n9a h LEU 150 N 4.88 0.10 0.16 8.88 3.38 -0.77 -1.81 115.31 130.12 1n9a h LEU 150 Ca -0.28 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1n9a h LEU 150 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1n9a h LEU 150 CO 0.37 0.37 -0.08 0.00 0.09 0.00 0.00 178.44 179.20 1n9a h ALA 151 N 1.64 -0.21 -0.12 1.53 0.00 -1.92 0.43 119.26 120.60 1n9a h ALA 151 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1n9a h ALA 151 Cb 0.53 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1n9a h ALA 151 CO 0.04 -0.49 -0.11 -1.35 0.00 0.00 0.00 179.25 177.34 1n9a h PRO 152 N -0.48 0.17 0.13 0.00 0.11 -1.80 -2.10 132.00 128.03 1n9a h PRO 152 Ca -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1n9a h PRO 152 Cb 0.38 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1n9a h PRO 152 CO 0.04 0.29 -0.06 1.15 -0.21 0.00 0.00 178.00 179.21 1n9a h THR 153 N 0.17 1.01 -0.62 -1.15 2.02 -1.19 0.38 112.91 113.53 1n9a h THR 153 Ca 0.04 -0.58 0.10 0.00 0.77 0.00 0.00 66.41 66.74 1n9a h THR 153 Cb 0.30 1.37 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 1n9a h THR 153 CO 0.02 0.14 0.21 0.22 0.37 0.00 0.00 175.52 176.48 1n9a h TYR 154 N -0.45 0.37 -0.09 3.16 3.20 -0.68 -0.53 116.97 121.94 1n9a h TYR 154 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1n9a h TYR 154 Cb 0.36 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1n9a h TYR 154 CO 0.02 0.07 0.03 0.00 -1.64 0.00 0.00 178.16 176.64 1n9a h ALA 155 N 1.44 0.12 -0.29 1.82 0.00 -1.11 -1.77 119.26 119.47 1n9a h ALA 155 Ca 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1n9a h ALA 155 Cb 0.42 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1n9a h ALA 155 CO -0.33 -0.28 0.14 0.00 0.00 0.00 0.00 179.25 178.77 1n9a h ALA 156 N 0.85 0.35 -0.43 0.00 0.00 0.12 0.17 119.26 120.32 1n9a h ALA 156 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n9a h ALA 156 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1n9a h ALA 156 CO -0.00 -0.25 0.25 0.28 0.00 0.00 0.00 179.25 179.52 1n9a h VAL 157 N 0.29 1.02 -0.82 0.00 2.07 -1.05 0.94 116.25 118.70 1n9a h VAL 157 Ca 0.12 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1n9a h VAL 157 Cb 0.05 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1n9a h VAL 157 CO -0.09 0.09 0.43 0.78 0.02 0.00 0.00 177.57 178.79 1n9a h ASN 158 N 0.50 1.05 0.93 0.57 4.21 -0.90 -1.00 115.58 120.93 1n9a h ASN 158 Ca 0.18 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.54 1n9a h ASN 158 Cb 0.03 -0.27 0.01 0.00 -1.12 0.00 0.00 38.32 36.97 1n9a h ASN 158 CO -0.09 0.86 -0.44 0.00 -1.29 0.00 0.00 177.43 176.46 1n9a h ALA 159 N 1.30 -1.25 -1.17 -0.83 0.00 -0.27 -0.87 119.26 116.17 1n9a h ALA 159 Ca 0.29 -0.27 0.33 0.00 0.00 0.00 0.00 54.91 55.26 1n9a h ALA 159 Cb 0.07 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1n9a h ALA 159 CO -0.04 -1.16 0.79 -0.07 0.00 0.00 0.00 179.25 178.76 1n9a h LEU 160 N -1.33 0.25 -0.01 0.00 3.38 -0.58 0.24 115.31 117.26 1n9a h LEU 160 Ca -0.13 0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 1n9a h LEU 160 Cb 0.95 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1n9a h LEU 160 CO 0.21 0.01 -1.10 0.00 0.09 0.00 0.00 178.44 177.65 1n9a h ILE 162 N 0.10 1.24 0.50 0.00 2.04 0.89 -2.23 117.51 120.05 1n9a h ILE 162 Ca -0.10 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1n9a h ILE 162 Cb 1.80 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1n9a h ILE 162 CO 0.18 0.26 -0.24 0.40 0.00 0.00 0.00 178.15 178.74 1n9a h ILE 163 N 1.20 0.00 -4.38 -0.67 2.04 -1.28 -3.49 117.51 110.93 1n9a h ILE 163 Ca 0.31 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 1n9a h ILE 163 Cb -0.04 0.00 0.07 0.00 -0.74 0.00 0.00 36.82 36.11 1n9a h ILE 163 CO -0.06 0.00 -0.31 0.61 0.00 0.00 0.00 178.15 178.39 1n9a n GLY 164 N -0.50 -0.48 3.14 5.37 0.00 0.38 -5.09 105.19 108.01 1n9a n GLY 164 Ca -0.08 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1n9a n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9a s THR 165 N -3.14 0.59 0.33 2.61 -4.23 -1.26 -4.99 115.64 105.55 1n9a s THR 165 Ca 0.17 -1.78 0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1n9a s THR 165 Cb -0.02 -1.49 0.32 0.00 1.34 0.00 0.00 72.50 72.65 1n9a s THR 165 CO 0.43 -0.82 1.68 -0.33 -0.54 0.00 0.00 174.62 175.03 1n9a h GLU 166 N 3.23 0.36 0.42 3.99 4.39 -1.98 -0.25 114.58 124.74 1n9a h GLU 166 Ca -0.35 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 1n9a h GLU 166 Cb 1.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1n9a h GLU 166 CO 0.61 0.24 -0.20 1.49 -1.16 0.00 0.00 179.01 179.99 1n9a h GLU 167 N 0.38 -0.55 0.48 2.33 4.81 -1.97 -0.95 114.58 119.11 1n9a h GLU 167 Ca 0.69 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.94 1n9a h GLU 167 Cb 1.48 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1n9a h GLU 167 CO -0.58 -0.26 -0.35 0.00 -0.73 0.00 0.00 179.01 177.08 1n9a h ALA 168 N -0.29 -0.84 -0.99 2.92 0.00 -1.53 -1.90 119.26 116.63 1n9a h ALA 168 Ca -0.06 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.88 1n9a h ALA 168 Cb 0.53 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 1n9a h ALA 168 CO 0.09 -1.00 0.59 1.88 0.00 0.00 0.00 179.25 180.82 1n9a h TYR 169 N -0.82 1.04 0.00 0.00 0.99 -1.17 0.32 116.97 117.34 1n9a h TYR 169 Ca -0.05 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1n9a h TYR 169 Cb 0.69 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 38.11 1n9a h TYR 169 CO -0.14 0.23 0.00 0.09 -0.00 0.00 0.00 178.16 178.34 1n9a n ASN 170 N -4.78 0.00 0.01 3.88 3.02 -0.36 -2.37 115.26 114.65 1n9a n ASN 170 Ca 0.23 0.42 -0.11 0.00 -0.03 0.00 0.00 54.58 55.09 1n9a n ASN 170 Cb 0.56 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1n9a n ASN 170 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1n9a h VAL 171 N 0.00 1.33 -2.65 2.41 2.07 -0.36 -3.44 116.25 115.61 1n9a h VAL 171 Ca 0.00 -1.90 -0.57 0.00 0.82 0.00 0.00 66.70 65.06 1n9a h VAL 171 Cb 0.25 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1n9a h VAL 171 CO 0.00 0.59 1.19 -0.63 0.02 0.00 0.00 177.57 178.73 1n9a s ILE 172 N -3.88 3.55 -0.81 4.57 1.01 -1.00 -4.96 121.20 119.67 1n9a s ILE 172 Ca -0.07 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 60.97 1n9a s ILE 172 Cb 0.11 -3.58 0.09 0.00 0.01 0.00 0.00 42.46 39.09 1n9a s ILE 172 CO 0.85 -0.26 1.11 0.21 0.00 0.00 0.00 174.94 176.85 1n9a s ASN 173 N 4.84 6.38 0.40 3.58 3.84 -1.26 -4.90 114.94 127.82 1n9a s ASN 173 Ca 0.77 -1.39 0.12 0.00 0.21 0.00 0.00 52.86 52.57 1n9a s ASN 173 Cb -0.27 -2.44 0.83 0.00 -0.55 0.00 0.00 41.25 38.82 1n9a s ASN 173 CO 0.31 -1.34 1.90 0.03 -2.79 0.00 0.00 177.10 175.21 1n9a h ARG 174 N 9.37 0.06 0.00 0.43 3.08 -1.96 0.50 114.38 125.86 1n9a h ARG 174 Ca -0.06 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1n9a h ARG 174 Cb 1.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1n9a h ARG 174 CO 1.19 0.31 -0.64 1.05 -1.07 0.00 0.00 179.97 180.81 1n9a h GLU 175 N 0.05 0.00 0.03 0.04 9.09 -1.98 -2.95 114.58 118.86 1n9a h GLU 175 Ca 0.01 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.14 1n9a h GLU 175 Cb 0.48 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.55 1n9a h GLU 175 CO 0.03 0.64 -1.49 0.87 0.05 0.00 0.00 179.01 179.11 1n9a h LYS 176 N 0.00 0.07 -0.57 1.06 1.79 -1.85 -3.24 116.57 113.84 1n9a h LYS 176 Ca -0.01 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1n9a h LYS 176 Cb 1.38 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 32.05 1n9a h LYS 176 CO 0.08 0.81 0.15 1.25 -1.08 0.00 0.00 179.45 180.66 1n9a h LEU 177 N 0.02 0.81 -0.27 2.94 5.85 -0.88 -0.62 115.31 123.16 1n9a h LEU 177 Ca -0.21 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 1n9a h LEU 177 Cb 1.95 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1n9a h LEU 177 CO 0.11 0.78 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.81 1n9a h LEU 178 N 0.84 0.57 -0.18 2.25 3.38 -1.63 0.67 115.31 121.21 1n9a h LEU 178 Ca 0.18 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1n9a h LEU 178 Cb 0.29 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1n9a h LEU 178 CO -0.00 0.84 -0.21 1.56 0.09 0.00 0.00 178.44 180.72 1n9a h GLN 179 N 0.29 -0.23 -0.05 1.13 4.20 -1.48 0.19 115.11 119.16 1n9a h GLN 179 Ca 0.06 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1n9a h GLN 179 Cb 0.61 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1n9a h GLN 179 CO 0.04 -0.15 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.07 1n9a h TYR 180 N -0.24 -0.14 -0.61 2.96 3.20 -1.00 0.76 116.97 121.91 1n9a h TYR 180 Ca 0.12 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1n9a h TYR 180 Cb 0.41 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1n9a h TYR 180 CO -0.34 -0.09 0.27 -0.07 -1.64 0.00 0.00 178.16 176.29 1n9a h LEU 181 N -0.08 0.32 -1.48 2.82 3.38 -0.26 0.76 115.31 120.77 1n9a h LEU 181 Ca 0.04 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1n9a h LEU 181 Cb 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1n9a h LEU 181 CO -0.10 0.20 -0.26 1.88 0.09 0.00 0.00 178.44 180.24 1n9a h TYR 182 N 0.48 0.00 0.00 1.13 0.99 -0.14 -2.46 116.97 116.98 1n9a h TYR 182 Ca 0.30 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.99 1n9a h TYR 182 Cb 0.31 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.04 1n9a h TYR 182 CO -0.14 0.26 -0.19 0.66 -0.00 0.00 0.00 178.16 178.76 1n9a h SER 183 N 0.00 0.00 0.51 3.88 4.64 0.16 -2.91 113.55 119.83 1n9a h SER 183 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1n9a h SER 183 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1n9a h SER 183 CO 0.03 0.19 -1.51 0.18 -0.87 0.00 0.00 176.83 174.85 1n9a n LEU 184 N -3.65 0.45 -4.62 5.97 4.77 -0.95 -4.98 117.00 113.98 1n9a n LEU 184 Ca -0.01 0.18 -0.47 0.00 -0.03 0.00 0.00 56.01 55.67 1n9a n LEU 184 Cb 0.31 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1n9a n LEU 184 CO 0.32 -0.06 0.91 1.17 -1.33 0.00 0.00 177.39 178.40 1n9a n LYS 185 N -2.51 1.59 -4.16 3.23 3.00 -1.03 -1.75 118.16 116.54 1n9a n LYS 185 Ca -0.03 0.57 -0.31 0.00 -0.00 0.00 0.00 58.31 58.54 1n9a n LYS 185 Cb 0.60 -2.18 -0.08 0.00 0.00 0.00 0.00 35.03 33.37 1n9a n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1n9a s GLN 186 N -0.11 2.71 0.42 1.64 -1.52 0.26 -4.93 119.66 118.14 1n9a s GLN 186 Ca 0.74 -0.72 0.14 0.00 -1.95 0.00 0.00 55.36 53.56 1n9a s GLN 186 Cb -0.77 -2.63 1.01 0.00 -0.22 0.00 0.00 33.01 30.40 1n9a s GLN 186 CO 0.49 0.58 1.93 -1.35 -0.25 0.00 0.00 175.29 176.69 1n9a h PRO 187 N 3.70 0.44 -0.04 2.91 0.11 -1.94 -0.13 132.00 137.04 1n9a h PRO 187 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n9a h PRO 187 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1n9a h PRO 187 CO 0.61 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 1n9a n ASP 188 N -4.48 0.35 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.99 1n9a n ASP 188 Ca 0.13 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1n9a n ASP 188 Cb 0.46 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1n9a n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9a n GLY 189 N 0.80 2.35 3.94 6.12 0.00 -0.06 -4.51 105.19 113.83 1n9a n GLY 189 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1n9a n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n9a s SER 190 N -1.43 4.87 0.24 1.61 1.04 -1.26 -3.97 113.70 114.80 1n9a s SER 190 Ca 0.00 0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.90 1n9a s SER 190 Cb 0.00 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.01 1n9a s SER 190 CO 0.00 -1.54 -0.15 -0.36 0.98 0.00 0.00 173.24 172.16 1n9a s PHE 191 N -3.18 1.92 0.44 5.02 0.40 -1.26 0.92 117.98 122.24 1n9a s PHE 191 Ca 0.60 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1n9a s PHE 191 Cb -0.11 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1n9a s PHE 191 CO 0.44 0.47 0.69 -0.51 0.70 0.00 0.00 175.22 177.01 1n9a s LEU 192 N -3.39 3.72 0.12 -0.37 1.43 -0.71 -4.43 118.68 115.05 1n9a s LEU 192 Ca 0.26 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1n9a s LEU 192 Cb -0.02 -3.46 -0.18 0.00 0.03 0.00 0.00 46.19 42.56 1n9a s LEU 192 CO 0.10 -0.57 1.28 0.24 0.23 0.00 0.00 176.35 177.64 1n9a h MET 193 N 0.41 0.04 -3.03 1.70 2.86 -1.19 -3.46 114.93 112.26 1n9a h MET 193 Ca -0.47 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.14 1n9a h MET 193 Cb 1.23 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.84 1n9a h MET 193 CO 0.60 1.01 0.21 -3.38 1.06 0.00 0.00 176.91 176.41 1n9a s HIS 194 N -2.77 -0.27 0.10 -0.22 0.00 -1.26 -0.08 115.29 110.79 1n9a s HIS 194 Ca 0.00 -0.12 -0.31 0.00 -3.00 0.00 0.00 55.06 51.64 1n9a s HIS 194 Cb 0.10 0.64 -0.10 0.00 -4.00 0.00 0.00 32.58 29.22 1n9a s HIS 194 CO 0.83 -1.12 1.89 0.08 -1.00 0.00 0.00 174.74 175.42 1n9a s VAL 195 N -3.87 2.66 0.00 -5.38 1.01 -1.26 0.62 120.40 114.18 1n9a s VAL 195 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1n9a s VAL 195 Cb -0.04 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1n9a s VAL 195 CO 0.01 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1n9a n GLY 196 N 4.36 0.44 4.01 4.51 0.00 -1.26 -5.01 105.19 112.25 1n9a n GLY 196 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1n9a n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n9a s GLY 197 N -2.00 1.78 0.88 -0.02 0.00 0.20 -5.11 107.32 103.06 1n9a s GLY 197 Ca 0.00 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 42.72 1n9a s GLY 197 CO 0.00 -1.45 1.10 -1.83 0.00 0.00 0.00 173.10 170.92 1n9a s GLU 198 N -4.76 1.40 -0.05 2.90 1.03 -1.26 -4.53 118.70 113.43 1n9a s GLU 198 Ca 0.62 0.58 0.05 0.00 0.03 0.00 0.00 54.97 56.24 1n9a s GLU 198 Cb -0.07 -1.84 -0.00 0.00 -0.80 0.00 0.00 34.13 31.41 1n9a s GLU 198 CO 0.39 -2.08 -0.19 0.08 -1.33 0.00 0.00 175.26 172.13 1n9a s VAL 199 N -3.10 1.62 -0.01 1.83 1.01 -1.26 -0.78 120.40 119.71 1n9a s VAL 199 Ca 0.63 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1n9a s VAL 199 Cb -0.16 -1.39 0.11 0.00 0.00 0.00 0.00 36.38 34.94 1n9a s VAL 199 CO 0.55 0.46 1.15 1.51 0.00 0.00 0.00 175.10 178.77 1n9a s ASP 200 N 0.02 -0.14 0.57 3.32 1.47 -1.26 -4.89 116.67 115.76 1n9a s ASP 200 Ca -0.05 -0.16 0.31 0.00 1.18 0.00 0.00 52.55 53.83 1n9a s ASP 200 Cb -0.13 0.26 1.44 0.00 -0.34 0.00 0.00 42.92 44.16 1n9a s ASP 200 CO 0.03 -0.47 1.82 0.58 0.68 0.00 0.00 175.17 177.81 1n9a h VAL 201 N 2.00 0.38 -0.92 2.11 2.07 -1.14 -2.04 116.25 118.71 1n9a h VAL 201 Ca -0.24 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.43 1n9a h VAL 201 Cb 1.21 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1n9a h VAL 201 CO 0.27 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.48 1n9a h ARG 202 N 0.00 0.70 -0.59 1.57 3.08 -1.92 -0.14 114.38 117.07 1n9a h ARG 202 Ca 0.37 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1n9a h ARG 202 Cb 1.73 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 1n9a h ARG 202 CO -0.00 0.46 0.27 0.66 -1.07 0.00 0.00 179.97 180.29 1n9a h SER 203 N 0.72 0.76 -0.34 7.04 4.64 -1.67 0.11 113.55 124.81 1n9a h SER 203 Ca 0.47 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1n9a h SER 203 Cb 0.74 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1n9a h SER 203 CO -0.23 0.66 -0.01 0.00 -0.87 0.00 0.00 176.83 176.38 1n9a h ALA 204 N 1.46 0.46 -0.22 5.18 0.00 -1.19 -0.99 119.26 123.95 1n9a h ALA 204 Ca 0.21 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1n9a h ALA 204 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n9a h ALA 204 CO -0.03 0.22 -0.49 -0.92 0.00 0.00 0.00 179.25 178.04 1n9a h TYR 205 N 0.41 0.91 -0.04 0.00 3.20 -1.25 -1.39 116.97 118.81 1n9a h TYR 205 Ca 0.10 -0.34 0.01 0.00 3.14 0.00 0.00 58.73 61.64 1n9a h TYR 205 Cb 0.46 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1n9a h TYR 205 CO 0.04 1.13 -0.04 0.00 -1.64 0.00 0.00 178.16 177.65 1n9a h ALA 207 N 0.97 -0.29 -0.76 0.00 0.00 -1.18 -2.22 119.26 115.79 1n9a h ALA 207 Ca 0.03 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1n9a h ALA 207 Cb 0.10 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1n9a h ALA 207 CO -0.07 -0.62 0.40 0.00 0.00 0.00 0.00 179.25 178.96 1n9a h ALA 208 N 0.41 1.06 -0.20 0.00 0.00 -1.05 0.65 119.26 120.13 1n9a h ALA 208 Ca -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1n9a h ALA 208 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1n9a h ALA 208 CO 0.05 0.01 0.07 1.03 0.00 0.00 0.00 179.25 180.41 1n9a h SER 209 N 0.67 0.29 0.16 0.00 0.87 -0.53 -1.70 113.55 113.32 1n9a h SER 209 Ca 0.37 -0.18 -0.23 0.00 -1.23 0.00 0.00 61.79 60.52 1n9a h SER 209 Cb 0.37 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1n9a h SER 209 CO -0.26 0.39 -0.91 -0.37 -0.53 0.00 0.00 176.83 175.16 1n9a h VAL 210 N 0.17 1.35 -0.40 2.23 -1.51 -1.12 -2.66 116.25 114.31 1n9a h VAL 210 Ca 0.07 -2.27 -0.09 0.00 -1.23 0.00 0.00 66.70 63.17 1n9a h VAL 210 Cb 0.20 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1n9a h VAL 210 CO -0.00 0.69 -0.12 0.00 -1.23 0.00 0.00 177.57 176.91 1n9a h ALA 211 N 0.66 0.55 0.19 5.19 0.00 -0.90 -1.94 119.26 123.01 1n9a h ALA 211 Ca -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1n9a h ALA 211 Cb 1.54 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1n9a h ALA 211 CO 0.17 0.44 -0.09 0.66 0.00 0.00 0.00 179.25 180.42 1n9a h SER 212 N 0.59 -0.22 -0.43 0.00 4.64 -1.38 -0.12 113.55 116.63 1n9a h SER 212 Ca 0.10 -0.23 0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1n9a h SER 212 Cb 0.65 0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1n9a h SER 212 CO 0.04 0.13 0.00 -0.07 -0.87 0.00 0.00 176.83 176.07 1n9a h LEU 213 N -0.60 -0.17 -0.34 5.97 3.38 -1.52 -0.58 115.31 121.45 1n9a h LEU 213 Ca -0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n9a h LEU 213 Cb 0.44 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1n9a h LEU 213 CO 0.04 -0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1n9a n THR 214 N -5.20 0.04 -3.37 0.22 -2.24 -0.73 -3.89 114.28 99.11 1n9a n THR 214 Ca 0.03 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1n9a n THR 214 Cb 0.22 -0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1n9a n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1n9a n ASN 215 N -0.51 -6.51 0.00 3.42 5.15 -0.22 -4.85 115.26 111.75 1n9a n ASN 215 Ca 0.17 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 1n9a n ASN 215 Cb 0.16 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 1n9a n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1n9a n ILE 216 N -2.75 0.51 -2.20 -1.44 -5.35 -0.25 -4.25 119.36 103.63 1n9a n ILE 216 Ca -0.09 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.43 1n9a n ILE 216 Cb 0.58 0.77 -0.02 0.00 -1.74 0.00 0.00 39.64 39.22 1n9a n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1n9a s ILE 217 N -0.51 3.70 0.90 7.28 1.01 -1.25 -4.73 121.20 127.59 1n9a s ILE 217 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 60.65 61.23 1n9a s ILE 217 Cb 0.00 -3.99 0.19 0.00 0.01 0.00 0.00 42.46 38.67 1n9a s ILE 217 CO 0.00 -0.67 1.23 0.42 0.00 0.00 0.00 174.94 175.93 1n9a s THR 218 N 6.25 2.02 0.25 2.92 -4.23 -1.26 -5.01 115.64 116.58 1n9a s THR 218 Ca 0.68 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1n9a s THR 218 Cb -0.17 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1n9a s THR 218 CO 0.32 0.00 1.58 1.55 -0.54 0.00 0.00 174.62 177.53 1n9a h PRO 219 N -1.34 0.20 -0.31 3.99 0.13 -2.02 -3.30 132.00 129.35 1n9a h PRO 219 Ca -0.41 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1n9a h PRO 219 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1n9a h PRO 219 CO 0.36 0.73 0.00 -0.40 -0.23 0.00 0.00 178.00 178.46 1n9a n ASP 220 N -3.88 2.90 0.16 1.44 3.85 -1.26 -4.68 116.55 115.07 1n9a n ASP 220 Ca -0.02 -1.87 -0.16 0.00 -0.71 0.00 0.00 54.79 52.03 1n9a n ASP 220 Cb 0.60 -0.20 -0.09 0.00 -1.35 0.00 0.00 41.12 40.08 1n9a n ASP 220 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1n9a h LEU 221 N 2.78 -1.38 -3.55 -2.12 5.85 -1.95 -2.80 115.31 112.12 1n9a h LEU 221 Ca 0.00 0.14 -0.41 0.00 0.84 0.00 0.00 57.88 58.45 1n9a h LEU 221 Cb 0.74 0.50 -0.23 0.00 0.37 0.00 0.00 40.66 42.04 1n9a h LEU 221 CO 0.00 -0.55 0.52 0.49 -0.34 0.00 0.00 178.44 178.56 1n9a n PHE 222 N -5.50 2.36 -1.65 1.25 3.01 -1.26 -4.97 117.46 110.70 1n9a n PHE 222 Ca -0.09 -1.65 -0.46 0.00 1.01 0.00 0.00 57.45 56.27 1n9a n PHE 222 Cb 0.41 -0.84 -0.04 0.00 -0.01 0.00 0.00 39.48 39.00 1n9a n PHE 222 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1n9a n GLU 223 N -0.71 2.36 -0.94 -1.08 4.07 -1.06 -1.30 120.64 121.98 1n9a n GLU 223 Ca 0.46 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 58.40 1n9a n GLU 223 Cb 1.31 -2.85 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 1n9a n GLU 223 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n9a n GLY 224 N 4.75 0.75 0.26 8.31 0.00 -1.26 -4.43 105.19 113.58 1n9a n GLY 224 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1n9a n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n9a h THR 225 N 0.00 1.28 0.00 2.61 2.02 -1.32 -2.56 112.91 114.94 1n9a h THR 225 Ca 0.00 -1.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.61 1n9a h THR 225 Cb 0.03 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1n9a h THR 225 CO 0.00 0.50 -0.30 0.00 0.37 0.00 0.00 175.52 176.09 1n9a h ALA 226 N 0.90 1.32 -0.04 6.16 0.00 -1.89 -1.85 119.26 123.87 1n9a h ALA 226 Ca 0.07 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1n9a h ALA 226 Cb 0.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1n9a h ALA 226 CO 0.08 0.37 -0.85 0.93 0.00 0.00 0.00 179.25 179.79 1n9a h GLU 227 N 0.00 0.42 -0.12 0.00 3.07 -1.88 -2.15 114.58 113.92 1n9a h GLU 227 Ca -0.00 -0.40 -0.05 0.00 -0.50 0.00 0.00 59.36 58.41 1n9a h GLU 227 Cb 0.60 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1n9a h GLU 227 CO 0.04 1.06 -0.11 2.35 -1.40 0.00 0.00 179.01 180.95 1n9a h TRP 228 N 0.26 0.34 -0.58 4.33 7.01 -1.08 -2.76 115.95 123.46 1n9a h TRP 228 Ca -0.06 -0.10 0.06 0.00 2.11 0.00 0.00 58.89 60.91 1n9a h TRP 228 Cb 1.46 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 28.41 1n9a h TRP 228 CO 0.05 0.68 0.39 0.82 -2.79 0.00 0.00 178.44 177.59 1n9a h ILE 229 N -0.11 0.99 0.00 2.65 2.04 -1.34 0.37 117.51 122.11 1n9a h ILE 229 Ca 0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1n9a h ILE 229 Cb 0.62 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1n9a h ILE 229 CO 0.03 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.28 1n9a h ALA 230 N 1.68 1.00 0.00 1.87 0.00 -1.23 -2.31 119.26 120.27 1n9a h ALA 230 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1n9a h ALA 230 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1n9a h ALA 230 CO -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 1n9a h ARG 231 N 0.00 0.00 0.00 0.00 3.08 -0.64 -3.03 114.38 113.79 1n9a h ARG 231 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n9a h ARG 231 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1n9a h ARG 231 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1n9a s GLN 233 N -3.31 4.23 0.10 0.00 0.74 -1.15 -1.05 119.66 119.23 1n9a s GLN 233 Ca 0.06 1.83 0.01 0.00 0.05 0.00 0.00 55.36 57.31 1n9a s GLN 233 Cb 0.07 -3.79 0.01 0.00 1.10 0.00 0.00 33.01 30.40 1n9a s GLN 233 CO 0.61 -0.72 0.09 0.27 -0.55 0.00 0.00 175.29 175.00 1n9a n ASN 234 N 6.56 1.14 0.22 6.67 6.94 -0.52 -4.96 115.26 131.31 1n9a n ASN 234 Ca 0.15 -1.34 0.10 0.00 -0.02 0.00 0.00 54.58 53.46 1n9a n ASN 234 Cb 0.44 -0.02 0.53 0.00 -2.36 0.00 0.00 39.78 38.37 1n9a n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1n9a h TRP 235 N 0.43 0.00 0.00 -2.53 5.08 -1.95 -1.58 115.95 115.40 1n9a h TRP 235 Ca -0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.91 1n9a h TRP 235 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1n9a h TRP 235 CO 0.00 0.00 -0.34 0.39 -1.28 0.00 0.00 178.44 177.21 1n9a n GLU 236 N -2.34 0.15 0.00 0.12 1.02 -1.26 -4.92 120.64 113.41 1n9a n GLU 236 Ca -0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1n9a n GLU 236 Cb 0.31 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1n9a n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n9a n GLY 237 N 1.41 2.77 3.98 0.62 0.00 -0.60 -4.49 105.19 108.89 1n9a n GLY 237 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1n9a n GLY 237 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n9a s GLY 238 N -2.54 1.78 -0.00 -0.02 0.00 -1.26 -3.30 107.32 101.98 1n9a s GLY 238 Ca 0.00 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.21 1n9a s GLY 238 CO 0.00 -1.09 -0.06 -0.42 0.00 0.00 0.00 173.10 171.53 1n9a s ILE 239 N -3.00 3.70 0.51 0.90 1.01 -1.26 -1.43 121.20 121.62 1n9a s ILE 239 Ca 0.63 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1n9a s ILE 239 Cb -0.07 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1n9a s ILE 239 CO 0.42 0.41 0.38 -0.83 0.00 0.00 0.00 174.94 175.32 1n9a s GLY 240 N -1.36 2.33 0.28 6.18 0.00 -0.22 -0.71 107.32 113.82 1n9a s GLY 240 Ca 0.17 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 1n9a s GLY 240 CO 0.07 -1.90 1.94 -1.33 0.00 0.00 0.00 173.10 171.88 1n9a h GLY 241 N 0.86 1.22 -3.21 0.20 0.00 -1.84 -3.43 103.07 96.85 1n9a h GLY 241 Ca -0.38 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.38 1n9a h GLY 241 CO 0.58 0.47 -0.40 -1.34 0.00 0.00 0.00 176.54 175.86 1n9a s VAL 242 N -5.91 0.15 0.22 4.60 -7.23 -1.26 -0.61 120.40 110.35 1n9a s VAL 242 Ca -0.12 -1.21 -0.32 0.00 -1.81 0.00 0.00 61.98 58.53 1n9a s VAL 242 Cb 0.18 -1.32 -0.14 0.00 0.56 0.00 0.00 36.38 35.65 1n9a s VAL 242 CO 0.80 -0.67 1.31 -2.65 -0.31 0.00 0.00 175.10 173.58 1n9a n PRO 243 N 0.00 1.71 0.00 4.82 -0.02 -1.26 -1.84 135.00 138.41 1n9a n PRO 243 Ca -0.15 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1n9a n PRO 243 Cb 0.62 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1n9a n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n9a n GLY 244 N 2.06 3.23 3.90 -1.23 0.00 -1.26 -5.00 105.19 106.89 1n9a n GLY 244 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1n9a n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n9a s MET 245 N -0.94 3.58 0.39 1.61 -1.94 -0.77 -5.03 119.30 116.19 1n9a s MET 245 Ca 0.00 0.30 -0.27 0.00 -1.71 0.00 0.00 55.69 54.01 1n9a s MET 245 Cb 0.00 -2.34 -0.11 0.00 2.01 0.00 0.00 34.83 34.39 1n9a s MET 245 CO 0.00 -0.23 1.41 -1.91 -0.01 0.00 0.00 175.02 174.28 1n9a n GLU 246 N -2.21 2.40 -1.90 2.03 2.13 -1.26 -4.19 120.64 117.63 1n9a n GLU 246 Ca 0.01 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.26 1n9a n GLU 246 Cb 0.55 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.67 1n9a n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n9a s ALA 247 N -1.14 3.75 -0.01 4.31 0.00 -1.26 -4.11 121.76 123.31 1n9a s ALA 247 Ca 0.56 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.95 1n9a s ALA 247 Cb -0.49 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1n9a s ALA 247 CO 0.62 -0.82 -0.03 -1.58 0.00 0.00 0.00 175.76 173.95 1n9a s HIS 248 N 0.63 0.30 0.34 0.00 2.46 0.11 -4.66 115.29 114.46 1n9a s HIS 248 Ca 0.66 -0.05 0.01 0.00 0.47 0.00 0.00 55.06 56.16 1n9a s HIS 248 Cb -0.45 -0.23 0.58 0.00 -0.13 0.00 0.00 32.58 32.35 1n9a s HIS 248 CO 0.38 -0.03 2.00 0.78 -2.47 0.00 0.00 174.74 175.39 1n9a h GLY 249 N 6.29 0.98 2.00 1.59 0.00 -0.45 0.11 103.07 113.59 1n9a h GLY 249 Ca -0.29 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 1n9a h GLY 249 CO 0.50 0.35 -0.58 -1.33 0.00 0.00 0.00 176.54 175.49 1n9a h GLY 250 N 0.94 0.00 1.36 4.60 0.00 -1.86 -2.24 103.07 105.86 1n9a h GLY 250 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.31 1n9a h GLY 250 CO -0.06 0.00 -1.45 -0.97 0.00 0.00 0.00 176.54 174.07 1n9a h TYR 251 N 0.00 0.15 -0.16 5.60 0.99 -1.77 -2.89 116.97 118.89 1n9a h TYR 251 Ca -0.01 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.50 1n9a h TYR 251 Cb 1.09 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.80 1n9a h TYR 251 CO 0.00 1.14 -0.40 1.15 -0.00 0.00 0.00 178.16 180.06 1n9a h THR 252 N 0.02 1.30 -0.37 -2.88 2.02 -0.72 0.56 112.91 112.85 1n9a h THR 252 Ca -0.19 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.34 1n9a h THR 252 Cb 1.94 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 1n9a h THR 252 CO 0.12 0.46 -0.26 0.15 0.37 0.00 0.00 175.52 176.36 1n9a h PHE 253 N 0.30 0.97 -0.67 3.16 3.57 -1.45 -0.40 116.94 122.43 1n9a h PHE 253 Ca 0.03 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 1n9a h PHE 253 Cb 0.83 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1n9a h PHE 253 CO 0.02 1.04 0.32 0.00 -2.23 0.00 0.00 178.31 177.47 1n9a h GLY 255 N 0.93 -0.58 0.67 0.00 0.00 -0.78 -1.34 103.07 101.98 1n9a h GLY 255 Ca 0.23 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1n9a h GLY 255 CO -0.03 -0.21 -0.42 -2.00 0.00 0.00 0.00 176.54 173.88 1n9a h LEU 256 N -0.95 -1.12 -1.48 3.11 5.85 -1.06 -0.18 115.31 119.48 1n9a h LEU 256 Ca -0.06 0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.93 1n9a h LEU 256 Cb 0.55 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1n9a h LEU 256 CO 0.09 -0.61 0.58 0.00 -0.34 0.00 0.00 178.44 178.16 1n9a h ALA 257 N -0.65 2.12 -0.37 1.25 0.00 -1.12 0.18 119.26 120.67 1n9a h ALA 257 Ca -0.06 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1n9a h ALA 257 Cb 0.79 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1n9a h ALA 257 CO -0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 179.25 178.55 1n9a h ALA 258 N 1.62 0.76 -0.09 0.00 0.00 -0.51 -1.92 119.26 119.13 1n9a h ALA 258 Ca 0.45 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1n9a h ALA 258 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1n9a h ALA 258 CO -0.18 0.65 -0.58 -0.07 0.00 0.00 0.00 179.25 179.08 1n9a h LEU 259 N 0.68 0.31 -0.49 0.00 3.38 0.10 -1.88 115.31 117.41 1n9a h LEU 259 Ca 0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1n9a h LEU 259 Cb 0.85 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1n9a h LEU 259 CO 0.07 0.82 0.16 0.58 0.09 0.00 0.00 178.44 180.17 1n9a h VAL 260 N 0.21 1.22 0.28 1.22 2.07 -0.63 0.62 116.25 121.24 1n9a h VAL 260 Ca -0.00 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1n9a h VAL 260 Cb 1.07 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1n9a h VAL 260 CO 0.09 0.27 -0.20 0.40 0.02 0.00 0.00 177.57 178.16 1n9a h ILE 261 N 0.66 0.58 0.00 4.57 2.04 -1.15 -1.69 117.51 122.52 1n9a h ILE 261 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1n9a h ILE 261 Cb 0.25 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1n9a h ILE 261 CO -0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.32 1n9a n LEU 262 N -5.32 0.00 -3.28 1.44 4.77 -0.73 -4.85 117.00 109.04 1n9a n LEU 262 Ca -0.09 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1n9a n LEU 262 Cb 0.23 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1n9a n LEU 262 CO 0.33 -0.10 0.18 0.29 -1.33 0.00 0.00 177.39 176.75 1n9a n LYS 263 N -1.18 -6.84 -1.08 3.23 5.02 0.47 -4.93 118.16 112.84 1n9a n LYS 263 Ca 0.08 0.76 0.04 0.00 -2.02 0.00 0.00 58.31 57.17 1n9a n LYS 263 Cb 0.08 -5.57 0.06 0.00 -0.02 0.00 0.00 35.03 29.58 1n9a n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n9a n LYS 264 N -4.34 0.35 -0.35 1.97 5.02 0.19 -4.86 118.16 116.15 1n9a n LYS 264 Ca -0.09 -2.09 0.25 0.00 -2.02 0.00 0.00 58.31 54.36 1n9a n LYS 264 Cb 0.59 -0.46 0.49 0.00 -0.02 0.00 0.00 35.03 35.63 1n9a n LYS 264 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1n9a h GLU 265 N 0.77 0.33 0.00 1.97 3.07 -1.88 0.21 114.58 119.05 1n9a h GLU 265 Ca -0.14 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1n9a h GLU 265 Cb 1.60 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 1n9a h GLU 265 CO 0.06 0.22 0.00 0.54 -1.40 0.00 0.00 179.01 178.43 1n9a n ARG 266 N -4.90 0.00 0.00 2.33 1.74 -1.26 -1.35 116.66 113.23 1n9a n ARG 266 Ca 0.31 0.35 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1n9a n ARG 266 Cb 0.99 -1.50 0.72 0.00 -1.02 0.00 0.00 32.46 31.65 1n9a n ARG 266 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n9a n SER 267 N -1.34 0.00 -4.65 0.55 7.64 0.73 -4.78 113.62 111.76 1n9a n SER 267 Ca 0.00 -0.83 -0.27 0.00 1.01 0.00 0.00 58.87 58.78 1n9a n SER 267 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1n9a n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n9a s LEU 268 N -1.95 2.94 -0.71 -3.43 1.43 -0.45 -4.81 118.68 111.68 1n9a s LEU 268 Ca 0.36 -1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 1n9a s LEU 268 Cb 0.17 -1.04 0.14 0.00 0.03 0.00 0.00 46.19 45.49 1n9a s LEU 268 CO 0.28 -0.46 0.79 0.21 0.23 0.00 0.00 176.35 177.39 1n9a s ASN 269 N -3.75 6.41 0.54 2.29 3.84 -1.26 -4.88 114.94 118.13 1n9a s ASN 269 Ca 0.36 -1.89 0.32 0.00 0.21 0.00 0.00 52.86 51.86 1n9a s ASN 269 Cb 0.08 -2.29 1.49 0.00 -0.55 0.00 0.00 41.25 39.98 1n9a s ASN 269 CO 0.19 -0.95 2.05 -0.07 -2.79 0.00 0.00 177.10 175.52 1n9a h LEU 270 N 9.44 0.00 0.22 3.21 3.38 -1.93 -2.25 115.31 127.38 1n9a h LEU 270 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1n9a h LEU 270 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1n9a h LEU 270 CO 1.01 0.08 -0.11 0.11 0.09 0.00 0.00 178.44 179.63 1n9a h LYS 271 N 0.00 -0.28 -0.56 1.13 1.79 -1.98 -1.29 116.57 115.39 1n9a h LYS 271 Ca -0.00 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.61 1n9a h LYS 271 Cb 0.42 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1n9a h LYS 271 CO 0.01 -0.19 0.38 0.66 -1.08 0.00 0.00 179.45 179.23 1n9a h SER 272 N -0.37 0.19 -0.59 0.86 4.64 -1.90 0.13 113.55 116.51 1n9a h SER 272 Ca -0.03 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1n9a h SER 272 Cb 0.23 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1n9a h SER 272 CO 0.05 0.11 0.19 0.25 -0.87 0.00 0.00 176.83 176.55 1n9a h LEU 273 N 0.21 0.86 -0.60 5.97 5.85 -1.35 -0.79 115.31 125.46 1n9a h LEU 273 Ca 0.26 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1n9a h LEU 273 Cb 0.76 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1n9a h LEU 273 CO -0.05 0.83 0.35 0.25 -0.34 0.00 0.00 178.44 179.49 1n9a h LEU 274 N 0.83 0.72 -0.90 2.25 5.85 0.45 -0.73 115.31 123.79 1n9a h LEU 274 Ca 0.19 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1n9a h LEU 274 Cb 0.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1n9a h LEU 274 CO -0.01 0.57 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.03 1n9a h GLN 275 N 0.81 0.78 0.45 1.25 -0.00 -1.04 -2.14 115.11 115.21 1n9a h GLN 275 Ca 0.21 -0.22 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1n9a h GLN 275 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.39 1n9a h GLN 275 CO -0.04 0.81 -0.21 2.35 0.00 0.00 0.00 178.83 181.73 1n9a h TRP 276 N 0.72 -0.56 -0.34 3.99 7.01 -0.70 -2.46 115.95 123.62 1n9a h TRP 276 Ca 0.14 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1n9a h TRP 276 Cb 0.49 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 1n9a h TRP 276 CO 0.03 -0.24 0.07 -0.24 -2.79 0.00 0.00 178.44 175.27 1n9a h VAL 277 N -0.87 0.84 0.00 2.65 3.04 -1.12 -1.30 116.25 119.49 1n9a h VAL 277 Ca -0.06 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1n9a h VAL 277 Cb 0.57 0.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1n9a h VAL 277 CO 0.10 0.04 -0.03 0.71 -1.01 0.00 0.00 177.57 177.37 1n9a h THR 278 N 0.19 0.37 0.00 3.17 1.35 -1.44 0.26 112.91 116.82 1n9a h THR 278 Ca 0.16 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1n9a h THR 278 Cb 0.17 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1n9a h THR 278 CO -0.20 0.03 0.00 0.28 -0.25 0.00 0.00 175.52 175.38 1n9a h SER 279 N 0.00 0.00 0.75 5.36 0.02 -0.73 -3.25 113.55 115.70 1n9a h SER 279 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n9a h SER 279 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1n9a h SER 279 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1n9a n ARG 280 N -2.32 0.08 -3.00 3.45 5.12 0.08 -4.74 116.66 115.33 1n9a n ARG 280 Ca 0.05 0.07 -0.40 0.00 -1.93 0.00 0.00 57.85 55.64 1n9a n ARG 280 Cb 0.40 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.15 1n9a n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1n9a s GLN 281 N -2.90 4.47 -0.42 5.56 0.74 -1.23 -0.33 119.66 125.54 1n9a s GLN 281 Ca 0.14 1.02 -0.29 0.00 0.05 0.00 0.00 55.36 56.28 1n9a s GLN 281 Cb 0.16 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.89 1n9a s GLN 281 CO 0.43 0.20 1.33 -1.64 -0.55 0.00 0.00 175.29 175.06 1n9a s MET 282 N 0.26 3.64 0.30 1.67 -1.94 0.29 -4.92 119.30 118.60 1n9a s MET 282 Ca 0.39 0.85 0.05 0.00 -1.71 0.00 0.00 55.69 55.28 1n9a s MET 282 Cb -0.20 -3.98 0.78 0.00 2.01 0.00 0.00 34.83 33.44 1n9a s MET 282 CO 0.22 -1.48 1.70 0.07 -0.01 0.00 0.00 175.02 175.51 1n9a h ARG 283 N 10.18 0.42 0.17 2.03 0.11 -1.89 0.45 114.38 125.85 1n9a h ARG 283 Ca -0.26 -0.03 -0.35 0.00 0.10 0.00 0.00 59.98 59.44 1n9a h ARG 283 Cb 1.09 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.08 1n9a h ARG 283 CO 1.09 0.28 -1.80 0.35 0.10 0.00 0.00 179.97 180.00 1n9a h PHE 284 N 0.43 0.64 0.11 4.08 3.57 -1.91 -3.40 116.94 120.46 1n9a h PHE 284 Ca 0.59 -0.47 -0.30 0.00 3.53 0.00 0.00 57.97 61.32 1n9a h PHE 284 Cb 1.13 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1n9a h PHE 284 CO -0.10 1.68 -1.51 0.93 -2.23 0.00 0.00 178.31 177.07 1n9a h GLU 285 N 0.10 0.23 0.00 1.11 3.07 -1.82 -3.49 114.58 113.78 1n9a h GLU 285 Ca -0.36 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.11 1n9a h GLU 285 Cb 2.08 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 30.14 1n9a h GLU 285 CO 0.16 1.09 0.00 0.41 -1.40 0.00 0.00 179.01 179.27 1n9a n GLY 286 N 1.65 3.09 3.49 -3.84 0.00 0.16 -4.49 105.19 105.25 1n9a n GLY 286 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1n9a n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9a n GLY 287 N -0.41 0.03 3.90 -0.02 0.00 -1.26 -3.44 105.19 103.98 1n9a n GLY 287 Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1n9a n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n9a s PHE 288 N -3.02 3.28 0.14 1.61 0.40 -1.26 -0.55 117.98 118.58 1n9a s PHE 288 Ca 0.62 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.96 1n9a s PHE 288 Cb -0.03 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1n9a s PHE 288 CO 0.42 0.48 -0.07 1.14 0.70 0.00 0.00 175.22 177.89 1n9a s GLN 289 N -3.91 2.20 0.20 0.44 -2.07 0.55 -1.89 119.66 115.18 1n9a s GLN 289 Ca 0.33 -1.09 0.11 0.00 -1.82 0.00 0.00 55.36 52.89 1n9a s GLN 289 Cb -0.08 -2.30 -0.05 0.00 -1.09 0.00 0.00 33.01 29.49 1n9a s GLN 289 CO 0.27 0.48 1.37 0.78 -1.32 0.00 0.00 175.29 176.88 1n9a h GLY 290 N 3.23 0.00 -4.92 2.60 0.00 -1.89 -3.45 103.07 98.64 1n9a h GLY 290 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1n9a h GLY 290 CO 0.54 0.00 -0.61 0.50 0.00 0.00 0.00 176.54 176.98 1n9a s ARG 291 N -2.88 0.37 0.28 4.80 0.52 -1.26 0.30 118.95 121.08 1n9a s ARG 291 Ca 0.02 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 1n9a s ARG 291 Cb 0.09 0.14 -0.13 0.00 0.52 0.00 0.00 34.95 35.57 1n9a s ARG 291 CO 0.78 -0.07 1.30 0.00 0.02 0.00 0.00 175.30 177.33 1n9a n ASN 293 N 1.50 -4.88 -1.95 0.00 3.02 -1.26 -5.02 115.26 106.67 1n9a n ASN 293 Ca 0.09 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1n9a n ASN 293 Cb 0.33 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.54 1n9a n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n9a n LYS 294 N -2.56 1.66 -3.38 3.52 4.76 -0.75 -5.00 118.16 116.40 1n9a n LYS 294 Ca -0.19 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.06 1n9a n LYS 294 Cb 0.62 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.80 1n9a n LYS 294 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n9a s LEU 295 N 0.00 3.70 0.72 -0.35 1.43 -1.26 -4.96 118.68 117.96 1n9a s LEU 295 Ca 0.00 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1n9a s LEU 295 Cb 0.00 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.75 1n9a s LEU 295 CO 0.00 -0.57 1.12 -0.69 0.23 0.00 0.00 176.35 176.44 1n9a s VAL 296 N -2.31 3.00 -0.30 -1.59 1.01 -1.26 -4.23 120.40 114.72 1n9a s VAL 296 Ca 0.48 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 1n9a s VAL 296 Cb -0.08 -2.90 0.12 0.00 0.00 0.00 0.00 36.38 33.53 1n9a s VAL 296 CO 0.30 -0.33 0.67 -0.62 0.00 0.00 0.00 175.10 175.12 1n9a s ASP 297 N -2.70 -1.08 0.52 3.32 -1.08 -0.79 -4.88 116.67 109.98 1n9a s ASP 297 Ca 0.67 1.53 0.35 0.00 -0.52 0.00 0.00 52.55 54.58 1n9a s ASP 297 Cb -0.21 2.09 1.51 0.00 -1.46 0.00 0.00 42.92 44.85 1n9a s ASP 297 CO 0.47 -0.22 1.78 1.23 0.52 0.00 0.00 175.17 178.95 1n9a h GLY 298 N 7.76 0.18 2.00 2.66 0.00 -1.03 -0.17 103.07 114.47 1n9a h GLY 298 Ca -0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1n9a h GLY 298 CO 0.11 -0.03 -0.21 0.00 0.00 0.00 0.00 176.54 176.42 1n9a n TYR 300 N -3.55 0.00 0.26 0.00 4.02 -0.07 -1.95 117.16 115.86 1n9a n TYR 300 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.02 1n9a n TYR 300 Cb 0.35 -0.06 0.69 0.00 -0.02 0.00 0.00 39.34 40.30 1n9a n TYR 300 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1n9a h SER 301 N 0.00 0.00 0.00 7.72 0.02 -1.43 -1.93 113.55 117.93 1n9a h SER 301 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1n9a h SER 301 Cb 0.05 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1n9a h SER 301 CO 0.00 0.12 -2.21 0.33 -1.14 0.00 0.00 176.83 173.93 1n9a n PHE 302 N -3.41 0.00 -0.22 3.45 7.35 -0.82 -3.52 117.46 120.30 1n9a n PHE 302 Ca -0.01 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1n9a n PHE 302 Cb 0.29 -0.79 0.19 0.00 0.35 0.00 0.00 39.48 39.52 1n9a n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n9a h TRP 303 N -0.47 0.99 0.00 -5.13 -0.00 -1.56 0.47 115.95 110.25 1n9a h TRP 303 Ca -0.52 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.89 58.09 1n9a h TRP 303 Cb 1.58 -0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 30.39 1n9a h TRP 303 CO -0.03 0.70 -1.41 1.04 -0.00 0.00 0.00 178.44 178.73 1n9a n GLN 304 N -4.35 0.56 0.20 0.49 1.13 -0.73 -4.29 117.38 110.39 1n9a n GLN 304 Ca 0.07 0.53 0.04 0.00 -1.94 0.00 0.00 57.00 55.70 1n9a n GLN 304 Cb 0.11 -1.70 0.44 0.00 0.11 0.00 0.00 30.24 29.19 1n9a n GLN 304 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n9a h ALA 305 N -0.60 1.56 0.00 -1.58 0.00 -1.59 -2.12 119.26 114.93 1n9a h ALA 305 Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1n9a h ALA 305 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1n9a h ALA 305 CO -0.23 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1n9a n GLY 306 N -0.79 -1.02 0.24 0.00 0.00 0.16 -2.41 105.19 101.36 1n9a n GLY 306 Ca -0.02 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1n9a n GLY 306 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n9a h LEU 307 N 0.00 0.00 0.05 0.99 3.38 -1.56 -3.22 115.31 114.94 1n9a h LEU 307 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1n9a h LEU 307 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1n9a h LEU 307 CO 0.00 0.00 -0.52 -0.07 0.09 0.00 0.00 178.44 177.94 1n9a h LEU 308 N 0.00 0.38 -1.28 1.67 3.38 -1.66 0.67 115.31 118.47 1n9a h LEU 308 Ca 0.00 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.14 1n9a h LEU 308 Cb 0.69 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1n9a h LEU 308 CO 0.00 1.19 0.50 -0.65 0.09 0.00 0.00 178.44 179.57 1n9a h PRO 309 N -0.39 0.94 -0.45 1.13 0.11 -1.74 0.73 132.00 132.34 1n9a h PRO 309 Ca -0.08 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 1n9a h PRO 309 Cb 1.31 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1n9a h PRO 309 CO 0.10 0.62 0.18 -0.07 -0.21 0.00 0.00 178.00 178.62 1n9a h LEU 310 N 0.96 0.62 0.00 2.35 3.38 -1.56 -1.73 115.31 119.33 1n9a h LEU 310 Ca 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1n9a h LEU 310 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1n9a h LEU 310 CO -0.08 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.25 1n9a n LEU 311 N -4.60 0.00 -0.01 1.67 4.77 0.22 -1.90 117.00 117.15 1n9a n LEU 311 Ca 0.01 0.47 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 1n9a n LEU 311 Cb 0.15 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1n9a n LEU 311 CO 0.37 -0.12 0.04 -0.74 -1.33 0.00 0.00 177.39 175.61 1n9a h HIS 312 N 0.00 -0.09 -0.47 -1.77 2.76 0.13 -2.83 115.15 112.88 1n9a h HIS 312 Ca 0.00 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1n9a h HIS 312 Cb 0.35 0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 1n9a h HIS 312 CO 0.00 -0.06 -0.51 0.00 -1.30 0.00 0.00 177.93 176.06 1n9a h ARG 313 N -1.02 -0.28 -0.77 5.26 3.08 -1.42 0.16 114.38 119.37 1n9a h ARG 313 Ca -0.01 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1n9a h ARG 313 Cb 0.07 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.07 1n9a h ARG 313 CO 0.02 -0.19 -0.52 0.00 -1.07 0.00 0.00 179.97 178.21 1n9a h ALA 314 N -0.06 -0.44 -0.53 0.04 0.00 -1.51 0.73 119.26 117.49 1n9a h ALA 314 Ca 0.08 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1n9a h ALA 314 Cb 0.51 1.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1n9a h ALA 314 CO -0.60 -0.90 0.13 -0.07 0.00 0.00 0.00 179.25 177.81 1n9a h LEU 315 N -0.14 0.81 -1.15 0.00 3.38 -0.98 -2.20 115.31 115.03 1n9a h LEU 315 Ca 0.18 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1n9a h LEU 315 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1n9a h LEU 315 CO -0.81 0.83 -0.29 -0.74 0.09 0.00 0.00 178.44 177.52 1n9a h HIS 316 N 0.75 0.26 -0.67 1.13 2.76 0.06 -1.87 115.15 117.56 1n9a h HIS 316 Ca 0.17 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1n9a h HIS 316 Cb 0.33 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1n9a h HIS 316 CO 0.02 0.50 0.45 0.00 -1.30 0.00 0.00 177.93 177.60 1n9a h ALA 317 N 1.50 1.57 -0.71 5.26 0.00 0.10 0.42 119.26 127.41 1n9a h ALA 317 Ca 0.03 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1n9a h ALA 317 Cb 0.62 -0.25 -0.21 0.00 0.00 0.00 0.00 17.79 17.95 1n9a h ALA 317 CO 0.04 0.37 0.53 0.00 0.00 0.00 0.00 179.25 180.20 1n9a n GLN 318 N -4.45 2.00 -3.67 0.00 10.64 -0.81 -4.89 117.38 116.21 1n9a n GLN 318 Ca 0.08 -2.20 -0.30 0.00 -1.83 0.00 0.00 57.00 52.74 1n9a n GLN 318 Cb 0.08 -1.86 0.04 0.00 -0.86 0.00 0.00 30.24 27.64 1n9a n GLN 318 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1n9a n GLY 319 N -0.49 -1.02 3.68 2.61 0.00 0.15 -4.95 105.19 105.17 1n9a n GLY 319 Ca 0.43 0.46 -0.40 0.00 0.00 0.00 0.00 46.02 46.52 1n9a n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n9a s ASP 320 N -3.42 6.77 -0.07 1.61 3.68 -0.77 -4.98 116.67 119.50 1n9a s ASP 320 Ca 0.44 0.94 -0.25 0.00 2.13 0.00 0.00 52.55 55.81 1n9a s ASP 320 Cb -0.16 -2.36 -0.26 0.00 -1.45 0.00 0.00 42.92 38.69 1n9a s ASP 320 CO 0.86 -0.20 0.93 -0.65 0.13 0.00 0.00 175.17 176.24 1n9a h PRO 321 N 7.18 0.18 0.00 4.34 0.11 -1.92 -3.37 132.00 138.51 1n9a h PRO 321 Ca -0.35 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1n9a h PRO 321 Cb 1.16 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1n9a h PRO 321 CO 0.77 1.04 0.00 0.00 -0.21 0.00 0.00 178.00 179.60 1n9a n ALA 322 N -2.59 1.65 -2.05 -0.75 0.00 -1.26 -4.80 120.51 110.71 1n9a n ALA 322 Ca -0.11 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 1n9a n ALA 322 Cb 0.59 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1n9a n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n9a s LEU 323 N -1.71 4.56 0.75 0.00 1.43 -1.26 -5.04 118.68 117.42 1n9a s LEU 323 Ca 0.04 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 1n9a s LEU 323 Cb 0.02 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1n9a s LEU 323 CO 0.03 0.05 1.18 -0.55 0.23 0.00 0.00 176.35 177.28 1n9a s SER 324 N -0.54 4.13 0.00 2.29 0.15 -1.26 -4.97 113.70 113.50 1n9a s SER 324 Ca 0.43 2.24 0.09 0.00 0.70 0.00 0.00 55.95 59.41 1n9a s SER 324 Cb -0.24 -2.58 0.24 0.00 -1.71 0.00 0.00 66.02 61.74 1n9a s SER 324 CO 0.30 -2.30 1.19 0.23 1.20 0.00 0.00 173.24 173.87 1n9a n MET 325 N -2.99 2.79 0.00 5.44 0.00 -1.26 -4.67 117.12 116.43 1n9a n MET 325 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 57.70 55.91 1n9a n MET 325 Cb 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.51 1n9a n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1n9a n SER 326 N 0.34 0.91 -4.21 7.83 3.41 -1.26 -4.61 113.62 116.03 1n9a n SER 326 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1n9a n SER 326 Cb 0.39 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 1n9a n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n9a s HIS 327 N -0.45 1.12 0.37 7.33 3.76 -1.26 -4.33 115.29 121.84 1n9a s HIS 327 Ca 0.00 -1.16 -0.03 0.00 -0.15 0.00 0.00 55.06 53.72 1n9a s HIS 327 Cb 0.00 -0.63 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1n9a s HIS 327 CO 0.00 -0.38 0.63 -1.58 -0.85 0.00 0.00 174.74 172.55 1n9a s TRP 328 N -3.87 3.51 0.00 1.40 0.23 -1.26 -4.72 118.94 114.24 1n9a s TRP 328 Ca 0.27 0.60 -0.05 0.00 -2.03 0.00 0.00 56.10 54.89 1n9a s TRP 328 Cb 0.07 -2.10 -0.22 0.00 0.03 0.00 0.00 33.47 31.25 1n9a s TRP 328 CO 0.05 0.01 3.14 -1.33 0.96 0.00 0.00 176.95 179.78 1n9a n MET 329 N -1.66 1.69 -3.57 4.98 2.81 -1.26 -4.72 117.12 115.39 1n9a n MET 329 Ca -0.02 -0.83 -0.11 0.00 -1.81 0.00 0.00 57.70 54.94 1n9a n MET 329 Cb 0.55 -1.89 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 1n9a n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1n9a s PHE 330 N 1.22 -0.31 -0.74 2.03 -0.12 -1.26 -4.83 117.98 113.98 1n9a s PHE 330 Ca 0.55 0.02 -0.26 0.00 -0.05 0.00 0.00 56.93 57.20 1n9a s PHE 330 Cb 0.26 0.38 -0.00 0.00 -0.63 0.00 0.00 43.02 43.04 1n9a s PHE 330 CO 0.00 -0.78 1.64 -1.58 -0.05 0.00 0.00 175.22 174.45 1n9a s HIS 331 N -3.79 1.97 0.35 3.49 5.65 -1.26 -4.82 115.29 116.87 1n9a s HIS 331 Ca 0.03 0.32 0.03 0.00 0.25 0.00 0.00 55.06 55.69 1n9a s HIS 331 Cb 0.00 -4.32 0.64 0.00 -1.18 0.00 0.00 32.58 27.72 1n9a s HIS 331 CO -0.11 -2.12 1.95 1.96 -0.65 0.00 0.00 174.74 175.77 1n9a h GLN 332 N 12.29 0.67 0.72 2.88 4.20 -1.88 -2.74 115.11 131.25 1n9a h GLN 332 Ca -0.17 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 1n9a h GLN 332 Cb 1.09 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.75 1n9a h GLN 332 CO 1.26 0.54 -0.35 0.37 -0.67 0.00 0.00 178.83 179.98 1n9a h GLN 333 N 0.67 -0.93 -0.99 1.46 4.15 -1.87 -2.72 115.11 114.88 1n9a h GLN 333 Ca 0.17 0.06 0.19 0.00 0.77 0.00 0.00 58.65 59.84 1n9a h GLN 333 Cb 0.11 0.21 -0.11 0.00 0.21 0.00 0.00 27.48 27.90 1n9a h GLN 333 CO -0.02 -0.62 0.59 0.00 -1.93 0.00 0.00 178.83 176.85 1n9a h ALA 334 N -1.35 1.63 -0.01 3.38 0.00 -1.87 0.34 119.26 121.39 1n9a h ALA 334 Ca -0.10 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n9a h ALA 334 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1n9a h ALA 334 CO 0.16 -0.07 -0.38 1.25 0.00 0.00 0.00 179.25 180.21 1n9a h LEU 335 N 0.73 0.01 -0.13 0.00 5.85 -1.49 -0.71 115.31 119.58 1n9a h LEU 335 Ca 0.57 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 59.09 1n9a h LEU 335 Cb 0.90 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1n9a h LEU 335 CO -0.39 0.40 -0.94 1.56 -0.34 0.00 0.00 178.44 178.72 1n9a h GLN 336 N 0.01 0.02 0.07 1.25 4.20 -0.65 -2.47 115.11 117.55 1n9a h GLN 336 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1n9a h GLN 336 Cb 0.68 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1n9a h GLN 336 CO 0.05 0.94 -0.03 0.93 -0.67 0.00 0.00 178.83 180.05 1n9a h GLU 337 N 0.01 -0.08 -0.45 1.46 5.08 -0.94 -0.86 114.58 118.79 1n9a h GLU 337 Ca -0.02 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1n9a h GLU 337 Cb 1.65 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.83 1n9a h GLU 337 CO 0.13 0.43 -0.49 -0.92 -1.00 0.00 0.00 179.01 177.15 1n9a h TYR 338 N -0.66 -1.48 0.40 4.33 3.20 -1.15 0.41 116.97 122.02 1n9a h TYR 338 Ca -0.01 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1n9a h TYR 338 Cb 0.55 0.71 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1n9a h TYR 338 CO 0.11 -0.46 -0.26 0.82 -1.64 0.00 0.00 178.16 176.72 1n9a h ILE 339 N -0.33 0.45 -0.48 1.81 2.04 -1.48 0.63 117.51 120.15 1n9a h ILE 339 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1n9a h ILE 339 Cb 0.58 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1n9a h ILE 339 CO -0.62 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 177.77 1n9a h LEU 340 N -0.65 0.55 0.01 1.44 3.38 -0.75 -1.67 115.31 117.63 1n9a h LEU 340 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1n9a h LEU 340 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1n9a h LEU 340 CO 0.03 0.41 -0.04 0.24 0.09 0.00 0.00 178.44 179.18 1n9a h MET 341 N 0.65 0.01 0.00 1.13 2.86 -0.16 -3.41 114.93 116.01 1n9a h MET 341 Ca 0.17 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.56 1n9a h MET 341 Cb -0.06 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1n9a h MET 341 CO -0.04 1.00 -1.86 0.00 1.06 0.00 0.00 176.91 177.07 1n9a s GLN 344 N -2.59 3.71 -0.20 0.00 0.74 -1.23 -0.51 119.66 119.59 1n9a s GLN 344 Ca 0.50 -0.32 -0.16 0.00 0.05 0.00 0.00 55.36 55.43 1n9a s GLN 344 Cb 0.38 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 1n9a s GLN 344 CO 0.16 0.43 0.38 0.00 -0.55 0.00 0.00 175.29 175.71 1n9a h PRO 346 N 7.32 0.09 0.00 0.00 0.11 -1.99 0.53 132.00 138.06 1n9a h PRO 346 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n9a h PRO 346 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n9a h PRO 346 CO 0.72 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 1n9a n ALA 347 N -2.86 1.97 0.00 -0.75 0.00 -1.26 -4.95 120.51 112.67 1n9a n ALA 347 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1n9a n ALA 347 Cb 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1n9a n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9a n GLY 348 N 0.27 3.16 0.00 0.00 0.00 0.18 -4.77 105.19 104.04 1n9a n GLY 348 Ca 0.08 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1n9a n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9a n GLY 349 N -0.53 -0.82 3.78 -0.02 0.00 -1.26 -4.50 105.19 101.85 1n9a n GLY 349 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1n9a n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n9a s LEU 350 N -2.28 2.98 0.28 0.99 2.01 -1.26 -0.20 118.68 121.20 1n9a s LEU 350 Ca 0.00 -1.14 -0.11 0.00 0.01 0.00 0.00 54.13 52.89 1n9a s LEU 350 Cb 0.00 -1.37 0.00 0.00 0.01 0.00 0.00 46.19 44.84 1n9a s LEU 350 CO 0.00 -0.69 0.50 -1.48 1.01 0.00 0.00 176.35 175.68 1n9a s LEU 351 N -3.99 0.46 0.06 1.79 0.05 0.33 -3.55 118.68 113.83 1n9a s LEU 351 Ca 0.37 -1.08 -0.21 0.00 0.05 0.00 0.00 54.13 53.26 1n9a s LEU 351 Cb 0.02 1.77 -0.09 0.00 -2.05 0.00 0.00 46.19 45.84 1n9a s LEU 351 CO 0.21 -1.22 1.33 -0.78 -0.55 0.00 0.00 176.35 175.34 1n9a h ASP 352 N 2.21 -0.97 -5.07 1.48 1.82 -1.88 -3.39 116.42 110.61 1n9a h ASP 352 Ca -0.27 0.10 0.07 0.00 -0.39 0.00 0.00 57.03 56.54 1n9a h ASP 352 Cb 1.25 0.36 -0.04 0.00 0.68 0.00 0.00 39.33 41.58 1n9a h ASP 352 CO 0.37 -0.34 0.30 -1.59 -1.61 0.00 0.00 179.24 176.37 1n9a s LYS 353 N -4.66 1.78 0.22 0.28 -2.85 -1.26 -0.58 119.74 112.66 1n9a s LYS 353 Ca -0.10 -1.04 -0.32 0.00 -1.00 0.00 0.00 55.97 53.52 1n9a s LYS 353 Cb 0.04 0.57 -0.13 0.00 -2.06 0.00 0.00 37.83 36.24 1n9a s LYS 353 CO 0.37 -0.82 1.49 -0.35 0.10 0.00 0.00 175.35 176.14 1n9a n PRO 354 N -0.49 2.18 0.00 1.78 -0.04 -1.24 -1.95 135.00 135.24 1n9a n PRO 354 Ca -0.05 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1n9a n PRO 354 Cb 0.59 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1n9a n PRO 354 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n9a n GLY 355 N 2.59 3.10 3.70 0.55 0.00 -1.26 -5.05 105.19 108.82 1n9a n GLY 355 Ca 0.13 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1n9a n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n9a s LYS 356 N 0.00 1.71 0.46 1.61 -0.14 -0.82 -5.01 119.74 117.54 1n9a s LYS 356 Ca 0.00 1.71 -0.04 0.00 -1.36 0.00 0.00 55.97 56.28 1n9a s LYS 356 Cb 0.00 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.33 1n9a s LYS 356 CO 0.00 -2.15 0.74 -1.12 -0.76 0.00 0.00 175.35 172.06 1n9a s SER 357 N -2.23 6.27 0.30 2.83 0.01 -1.26 -4.83 113.70 114.78 1n9a s SER 357 Ca 0.72 0.84 -0.16 0.00 1.31 0.00 0.00 55.95 58.66 1n9a s SER 357 Cb -0.28 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 1n9a s SER 357 CO 0.50 -0.53 0.74 0.00 0.41 0.00 0.00 173.24 174.37 1n9a s ARG 358 N -4.66 4.07 0.18 12.44 1.70 -1.26 -4.52 118.95 126.90 1n9a s ARG 358 Ca 0.46 0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 56.23 1n9a s ARG 358 Cb -0.10 -2.53 0.06 0.00 -0.57 0.00 0.00 34.95 31.81 1n9a s ARG 358 CO 0.43 0.21 0.66 0.16 -1.08 0.00 0.00 175.30 175.68 1n9a s ASP 359 N -2.12 -0.47 0.56 -2.89 1.47 -1.23 -5.04 116.67 106.95 1n9a s ASP 359 Ca 0.52 -0.16 0.34 0.00 1.18 0.00 0.00 52.55 54.42 1n9a s ASP 359 Cb -0.12 0.61 1.53 0.00 -0.34 0.00 0.00 42.92 44.61 1n9a s ASP 359 CO 0.18 -1.04 2.05 -0.26 0.68 0.00 0.00 175.17 176.79 1n9a h PHE 360 N 2.00 0.00 -0.05 2.11 -1.00 -1.98 -1.40 116.94 116.62 1n9a h PHE 360 Ca -0.29 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.42 1n9a h PHE 360 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 1n9a h PHE 360 CO 0.29 0.04 -0.23 -0.92 -1.61 0.00 0.00 178.31 175.88 1n9a h TYR 361 N 0.00 0.34 0.00 -0.55 3.20 -1.94 0.71 116.97 118.72 1n9a h TYR 361 Ca -0.00 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.61 1n9a h TYR 361 Cb 0.42 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1n9a h TYR 361 CO 0.00 0.86 -0.56 0.45 -1.64 0.00 0.00 178.16 177.27 1n9a h HIS 362 N -0.28 0.00 0.25 -3.82 3.86 -1.82 -0.47 115.15 112.87 1n9a h HIS 362 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1n9a h HIS 362 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1n9a h HIS 362 CO 0.14 0.56 -0.12 1.15 0.86 0.00 0.00 177.93 180.51 1n9a h THR 363 N 0.00 0.80 -0.35 2.45 2.02 -1.20 0.25 112.91 116.89 1n9a h THR 363 Ca -0.01 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1n9a h THR 363 Cb 0.99 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1n9a h THR 363 CO 0.07 0.09 0.20 0.00 0.37 0.00 0.00 175.52 176.26 1n9a n TYR 365 N -4.46 0.82 -0.06 0.00 4.02 -0.20 -2.28 117.16 115.00 1n9a n TYR 365 Ca 0.02 0.27 -0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1n9a n TYR 365 Cb 0.08 -1.04 -0.06 0.00 -0.02 0.00 0.00 39.34 38.31 1n9a n TYR 365 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n9a h LEU 367 N 0.37 0.18 -1.30 0.00 3.38 -1.61 -0.25 115.31 116.08 1n9a h LEU 367 Ca 0.00 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1n9a h LEU 367 Cb 1.05 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 1n9a h LEU 367 CO 0.10 0.34 0.54 0.28 0.09 0.00 0.00 178.44 179.79 1n9a h SER 368 N 0.02 0.71 0.50 -0.43 0.02 -1.43 -1.18 113.55 111.76 1n9a h SER 368 Ca 0.04 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1n9a h SER 368 Cb 0.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1n9a h SER 368 CO -0.00 0.42 -0.77 1.23 -1.14 0.00 0.00 176.83 176.57 1n9a h GLY 369 N 0.78 0.23 0.89 -3.77 0.00 -0.94 -1.86 103.07 98.39 1n9a h GLY 369 Ca 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1n9a h GLY 369 CO -0.15 0.31 0.06 -2.00 0.00 0.00 0.00 176.54 174.76 1n9a h LEU 370 N 0.13 0.17 -1.39 3.11 5.85 0.07 -0.52 115.31 122.73 1n9a h LEU 370 Ca -0.03 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1n9a h LEU 370 Cb 1.35 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1n9a h LEU 370 CO 0.12 0.27 0.28 -1.28 -0.34 0.00 0.00 178.44 177.49 1n9a h SER 371 N 0.07 0.61 -0.05 1.25 0.87 -1.22 0.11 113.55 115.20 1n9a h SER 371 Ca 0.04 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1n9a h SER 371 Cb 0.14 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1n9a h SER 371 CO -0.00 0.50 0.00 0.40 -0.53 0.00 0.00 176.83 177.19 1n9a h ILE 372 N 0.70 1.23 0.00 2.23 1.08 -0.85 -2.49 117.51 119.41 1n9a h ILE 372 Ca 0.18 -0.71 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1n9a h ILE 372 Cb 0.01 1.62 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1n9a h ILE 372 CO -0.03 0.19 -0.01 0.00 -0.69 0.00 0.00 178.15 177.62 1n9a h ALA 373 N 0.73 1.91 0.00 1.87 0.00 -0.06 -2.73 119.26 120.98 1n9a h ALA 373 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n9a h ALA 373 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1n9a h ALA 373 CO 0.00 0.01 -0.68 1.96 0.00 0.00 0.00 179.25 180.54 1n9a h GLN 374 N 0.00 0.00 -4.64 0.00 4.20 -0.71 -3.41 115.11 110.55 1n9a h GLN 374 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1n9a h GLN 374 Cb 0.01 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.44 1n9a h GLN 374 CO 0.00 0.00 -0.83 -1.01 -0.67 0.00 0.00 178.83 176.32 1n9a s HIS 375 N -3.31 2.00 0.26 2.96 3.76 -0.95 0.56 115.29 120.57 1n9a s HIS 375 Ca 0.02 -1.04 0.09 0.00 -0.15 0.00 0.00 55.06 53.97 1n9a s HIS 375 Cb 0.08 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1n9a s HIS 375 CO 0.75 -0.57 0.05 0.12 -0.85 0.00 0.00 174.74 174.24 1n9a s PHE 376 N 1.31 2.81 0.16 1.40 5.36 -1.24 -4.83 117.98 122.95 1n9a s PHE 376 Ca 0.00 -0.19 -0.19 0.00 -0.96 0.00 0.00 56.93 55.60 1n9a s PHE 376 Cb -0.14 -1.25 0.04 0.00 -0.34 0.00 0.00 43.02 41.34 1n9a s PHE 376 CO -0.07 0.59 0.50 0.20 -1.46 0.00 0.00 175.22 174.98 1n9a s GLY 377 N -3.72 -0.33 -0.26 13.12 0.00 -1.26 -3.80 107.32 111.07 1n9a s GLY 377 Ca 0.32 0.07 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1n9a s GLY 377 CO 0.21 -0.15 0.99 -1.26 0.00 0.00 0.00 173.10 172.89 1n9a n SER 378 N -0.30 -0.97 0.00 1.64 2.88 -1.24 -4.94 113.62 110.69 1n9a n SER 378 Ca -0.15 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.79 1n9a n SER 378 Cb 0.64 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.87 1n9a n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n9a n GLY 379 N -0.48 2.21 0.17 0.46 0.00 -1.26 -4.22 105.19 102.08 1n9a n GLY 379 Ca -0.20 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.15 1n9a n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9a n ALA 380 N 0.04 1.53 -2.22 4.61 0.00 -1.26 -5.07 120.51 118.14 1n9a n ALA 380 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 53.44 52.25 1n9a n ALA 380 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 1n9a n ALA 380 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1n9a s MET 381 N -0.32 3.90 -0.45 0.00 1.00 -1.26 -5.06 119.30 117.11 1n9a s MET 381 Ca 0.02 0.52 0.07 0.00 0.00 0.00 0.00 55.69 56.30 1n9a s MET 381 Cb 0.02 -2.47 0.27 0.00 0.00 0.00 0.00 34.83 32.65 1n9a s MET 381 CO 0.00 0.15 0.86 -0.11 0.00 0.00 0.00 175.02 175.93 1n9a n LEU 382 N -0.53 -1.85 -4.44 -0.03 -0.00 -1.26 -3.59 117.00 105.30 1n9a n LEU 382 Ca 0.02 -3.83 -0.44 0.00 -0.00 0.00 0.00 56.01 51.77 1n9a n LEU 382 Cb 0.53 0.82 -0.01 0.00 -0.00 0.00 0.00 43.42 44.76 1n9a n LEU 382 CO 0.44 2.06 1.18 -2.28 -0.00 0.00 0.00 177.39 178.79 1n9a s HIS 383 N -0.05 3.54 0.49 1.96 5.65 -1.25 -4.90 115.29 120.73 1n9a s HIS 383 Ca 0.31 -2.05 -0.21 0.00 0.25 0.00 0.00 55.06 53.36 1n9a s HIS 383 Cb 0.25 -4.22 -0.08 0.00 -1.18 0.00 0.00 32.58 27.35 1n9a s HIS 383 CO -0.16 -1.34 1.08 -0.51 -0.65 0.00 0.00 174.74 173.16 1n9a s ASP 384 N 2.77 6.19 -0.28 9.88 -0.00 -1.26 -3.62 116.67 130.35 1n9a s ASP 384 Ca 0.38 2.04 -0.01 0.00 -0.00 0.00 0.00 52.55 54.96 1n9a s ASP 384 Cb -0.05 -2.57 0.09 0.00 -0.00 0.00 0.00 42.92 40.39 1n9a s ASP 384 CO -0.03 -0.89 0.08 -0.69 -0.00 0.00 0.00 175.17 173.64 1n9a s VAL 385 N -1.85 0.77 -0.29 -1.27 1.01 0.19 -4.98 120.40 113.99 1n9a s VAL 385 Ca 0.68 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1n9a s VAL 385 Cb -0.20 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1n9a s VAL 385 CO 0.24 -0.55 0.09 -0.69 0.00 0.00 0.00 175.10 174.19 1n9a s VAL 386 N 1.69 4.03 0.15 2.92 1.01 -1.26 -4.12 120.40 124.82 1n9a s VAL 386 Ca 0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1n9a s VAL 386 Cb -0.17 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 1n9a s VAL 386 CO -0.21 0.09 1.08 -0.32 0.00 0.00 0.00 175.10 175.74 1n9a s MET 387 N 1.51 4.60 2.88 2.72 1.75 -1.26 -4.85 119.30 126.65 1n9a s MET 387 Ca 0.03 1.67 0.00 0.00 -1.25 0.00 0.00 55.69 56.14 1n9a s MET 387 Cb -0.17 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.19 1n9a s MET 387 CO 0.03 0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 1n9a n GLY 388 N 2.20 0.10 3.72 2.11 0.00 -1.26 -4.74 105.19 107.31 1n9a n GLY 388 Ca 0.03 -0.96 -0.65 0.00 0.00 0.00 0.00 46.02 44.44 1n9a n GLY 388 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n9a n VAL 389 N 0.00 0.06 0.05 1.61 0.31 -0.90 -4.73 118.33 114.74 1n9a n VAL 389 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1n9a n VAL 389 Cb 0.00 -0.62 0.02 0.00 -0.91 0.00 0.00 33.84 32.33 1n9a n VAL 389 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1n9a n PRO 390 N 4.06 0.02 0.00 5.55 -0.04 -1.26 0.92 135.00 144.24 1n9a n PRO 390 Ca 0.29 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 64.03 1n9a n PRO 390 Cb -0.00 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.55 1n9a n PRO 390 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n9a n GLU 391 N -1.14 0.97 0.11 0.54 4.71 -1.26 -3.36 120.64 121.20 1n9a n GLU 391 Ca 0.01 -0.41 0.13 0.00 -0.01 0.00 0.00 57.16 56.88 1n9a n GLU 391 Cb 0.00 -1.49 0.42 0.00 -1.01 0.00 0.00 31.44 29.36 1n9a n GLU 391 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n9a n ASN 392 N -0.66 0.79 -4.74 1.62 5.03 0.26 -4.86 115.26 112.70 1n9a n ASN 392 Ca 0.16 0.58 -0.41 0.00 0.87 0.00 0.00 54.58 55.78 1n9a n ASN 392 Cb 0.29 -0.79 -0.03 0.00 -1.02 0.00 0.00 39.78 38.23 1n9a n ASN 392 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1n9a s VAL 393 N -3.12 2.85 0.26 2.41 0.11 -1.21 -4.95 120.40 116.74 1n9a s VAL 393 Ca 0.10 0.71 0.07 0.00 -2.93 0.00 0.00 61.98 59.93 1n9a s VAL 393 Cb 0.12 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 1n9a s VAL 393 CO 0.57 0.11 0.22 -0.76 -3.33 0.00 0.00 175.10 171.92 1n9a s LEU 394 N -0.33 3.86 0.83 2.54 1.43 -1.26 -5.02 118.68 120.72 1n9a s LEU 394 Ca 0.58 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1n9a s LEU 394 Cb -0.40 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.52 1n9a s LEU 394 CO 0.42 -0.06 1.13 -1.10 0.23 0.00 0.00 176.35 176.96 1n9a s GLN 395 N -3.87 1.71 0.62 1.70 -1.52 -0.76 -4.97 119.66 112.58 1n9a s GLN 395 Ca 0.33 1.40 -0.12 0.00 -1.95 0.00 0.00 55.36 55.02 1n9a s GLN 395 Cb -0.08 -1.82 -0.03 0.00 -0.22 0.00 0.00 33.01 30.86 1n9a s GLN 395 CO 0.25 -2.09 1.03 -2.14 -0.25 0.00 0.00 175.29 172.10 1n9a s PRO 396 N -4.68 3.43 0.01 2.91 0.02 -1.26 -4.87 135.00 130.55 1n9a s PRO 396 Ca 0.65 0.90 0.03 0.00 0.02 0.00 0.00 61.00 62.59 1n9a s PRO 396 Cb -0.21 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 1n9a s PRO 396 CO 0.55 -0.71 -0.09 -0.08 -0.33 0.00 0.00 177.00 176.35 1n9a s THR 397 N -2.97 0.68 -0.17 0.99 -1.32 -1.26 -4.16 115.64 107.43 1n9a s THR 397 Ca 0.57 -0.53 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 1n9a s THR 397 Cb -0.12 -0.60 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1n9a s THR 397 CO 0.49 0.08 1.28 -2.28 -2.21 0.00 0.00 174.62 171.97 1n9a s HIS 398 N -0.44 2.82 -2.00 9.09 2.46 0.37 -4.75 115.29 122.85 1n9a s HIS 398 Ca 0.01 0.98 0.02 0.00 0.47 0.00 0.00 55.06 56.54 1n9a s HIS 398 Cb -0.05 -3.52 0.14 0.00 -0.13 0.00 0.00 32.58 29.02 1n9a s HIS 398 CO 0.00 -1.77 0.50 -0.35 -2.47 0.00 0.00 174.74 170.65 1n9a n PRO 399 N 6.64 0.11 -0.05 2.88 -0.04 -1.26 0.22 135.00 143.50 1n9a n PRO 399 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1n9a n PRO 399 Cb 0.45 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1n9a n PRO 399 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n9a n VAL 400 N -0.84 0.51 0.06 0.52 0.31 -1.26 -4.77 118.33 112.86 1n9a n VAL 400 Ca 0.02 -0.13 0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1n9a n VAL 400 Cb 0.01 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.30 1n9a n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1n9a n TYR 401 N -3.38 0.85 -3.39 3.52 4.02 -1.16 -4.98 117.16 112.64 1n9a n TYR 401 Ca -0.18 0.26 -0.18 0.00 -0.01 0.00 0.00 57.90 57.79 1n9a n TYR 401 Cb 0.63 -0.96 0.08 0.00 -0.02 0.00 0.00 39.34 39.07 1n9a n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1n9a n ASN 402 N -2.71 -3.69 -4.02 7.72 5.15 0.13 -5.00 115.26 112.85 1n9a n ASN 402 Ca -0.05 -0.54 -0.08 0.00 -0.60 0.00 0.00 54.58 53.32 1n9a n ASN 402 Cb 0.67 -4.69 -0.10 0.00 -0.53 0.00 0.00 39.78 35.13 1n9a n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1n9a s ILE 403 N -3.31 0.18 -0.09 -1.44 -4.36 -1.26 -4.87 121.20 106.06 1n9a s ILE 403 Ca 0.22 -1.47 -0.39 0.00 -0.26 0.00 0.00 60.65 58.76 1n9a s ILE 403 Cb -0.10 -1.19 -0.17 0.00 1.25 0.00 0.00 42.46 42.25 1n9a s ILE 403 CO 0.67 -0.81 1.47 0.61 0.24 0.00 0.00 174.94 177.12 1n9a n GLY 404 N 0.44 0.52 0.43 6.27 0.00 -1.26 -0.47 105.19 111.11 1n9a n GLY 404 Ca -0.17 0.81 0.22 0.00 0.00 0.00 0.00 46.02 46.88 1n9a n GLY 404 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n9a h PRO 405 N 5.37 0.00 0.06 1.61 0.13 -1.86 0.30 132.00 137.61 1n9a h PRO 405 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1n9a h PRO 405 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1n9a h PRO 405 CO 0.84 0.00 -1.07 0.38 -0.23 0.00 0.00 178.00 177.93 1n9a h ASP 406 N 0.00 0.51 -0.16 1.44 2.03 -1.92 -2.44 116.42 115.87 1n9a h ASP 406 Ca 0.27 -0.46 -0.16 0.00 -0.73 0.00 0.00 57.03 55.95 1n9a h ASP 406 Cb 1.67 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 40.01 1n9a h ASP 406 CO -0.00 1.29 -0.48 0.11 -1.03 0.00 0.00 179.24 179.13 1n9a h LYS 407 N 0.17 0.72 0.56 4.15 1.79 -0.77 0.70 116.57 123.90 1n9a h LYS 407 Ca -0.11 -0.42 -0.03 0.00 -2.18 0.00 0.00 60.65 57.92 1n9a h LYS 407 Cb 1.73 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 1n9a h LYS 407 CO 0.18 1.04 -0.28 0.28 -1.08 0.00 0.00 179.45 179.59 1n9a h VAL 408 N 0.57 0.00 -0.81 0.50 2.07 -1.38 0.74 116.25 117.94 1n9a h VAL 408 Ca 0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.72 1n9a h VAL 408 Cb 1.04 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.70 1n9a h VAL 408 CO 0.10 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.42 1n9a h ILE 409 N -0.76 0.58 -0.55 4.57 2.04 -1.40 -0.99 117.51 121.00 1n9a h ILE 409 Ca -0.08 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1n9a h ILE 409 Cb 0.59 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1n9a h ILE 409 CO 0.12 0.08 0.13 -0.61 0.00 0.00 0.00 178.15 177.86 1n9a h GLN 410 N 0.42 0.89 0.32 2.37 4.15 -0.76 -2.99 115.11 119.51 1n9a h GLN 410 Ca 0.47 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1n9a h GLN 410 Cb 0.78 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1n9a h GLN 410 CO -0.46 0.84 -0.15 0.00 -1.93 0.00 0.00 178.83 177.13 1n9a h ALA 411 N 1.01 -0.42 -0.54 3.38 0.00 0.31 -2.75 119.26 120.24 1n9a h ALA 411 Ca 0.17 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1n9a h ALA 411 Cb 0.36 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1n9a h ALA 411 CO 0.00 -0.51 -0.08 1.79 0.00 0.00 0.00 179.25 180.46 1n9a h THR 412 N -0.88 0.50 -0.59 0.00 1.35 -1.31 -1.10 112.91 110.87 1n9a h THR 412 Ca -0.04 -0.02 -0.05 0.00 -0.55 0.00 0.00 66.41 65.75 1n9a h THR 412 Cb 0.52 0.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.36 1n9a h THR 412 CO 0.07 0.01 0.18 0.71 -0.25 0.00 0.00 175.52 176.24 1n9a h THR 413 N 0.04 1.23 -0.43 6.82 1.35 -1.62 0.39 112.91 120.69 1n9a h THR 413 Ca 0.27 -0.79 -0.09 0.00 -0.55 0.00 0.00 66.41 65.25 1n9a h THR 413 Cb 0.42 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 1n9a h THR 413 CO -0.52 0.30 -0.10 -0.74 -0.25 0.00 0.00 175.52 174.21 1n9a h HIS 414 N 0.87 0.85 0.00 4.73 6.17 -0.92 -2.16 115.15 124.68 1n9a h HIS 414 Ca 0.19 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1n9a h HIS 414 Cb 0.26 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.97 1n9a h HIS 414 CO 0.02 0.84 -0.25 0.74 0.71 0.00 0.00 177.93 179.99 1n9a h PHE 415 N 0.71 0.00 0.00 5.26 -1.00 -0.97 -3.17 116.94 117.76 1n9a h PHE 415 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1n9a h PHE 415 Cb 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1n9a h PHE 415 CO 0.03 0.00 0.00 1.25 -1.61 0.00 0.00 178.31 177.98 1n9a h LEU 416 N 0.00 0.00 -2.36 1.54 5.85 0.45 -1.55 115.31 119.24 1n9a h LEU 416 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n9a h LEU 416 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1n9a h LEU 416 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1n9a n GLN 417 N -3.04 3.09 -4.49 1.25 10.64 -1.14 -4.79 117.38 118.90 1n9a n GLN 417 Ca -0.00 -1.70 -0.27 0.00 -1.83 0.00 0.00 57.00 53.20 1n9a n GLN 417 Cb 0.24 -1.90 -0.13 0.00 -0.86 0.00 0.00 30.24 27.59 1n9a n GLN 417 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1n9a s LYS 418 N -1.94 1.38 0.29 2.61 3.01 -0.59 -5.12 119.74 119.38 1n9a s LYS 418 Ca 0.29 -1.18 -0.24 0.00 -1.01 0.00 0.00 55.97 53.83 1n9a s LYS 418 Cb 0.22 -1.69 -0.09 0.00 -1.01 0.00 0.00 37.83 35.26 1n9a s LYS 418 CO 0.09 0.41 0.88 -1.25 0.51 0.00 0.00 175.35 175.99 1n9a s PRO 419 N -1.73 4.49 0.22 -1.68 0.04 -1.26 -4.98 135.00 130.10 1n9a s PRO 419 Ca 0.10 1.20 -0.32 0.00 0.04 0.00 0.00 61.00 62.02 1n9a s PRO 419 Cb -0.10 -2.84 -0.12 0.00 0.04 0.00 0.00 34.50 31.48 1n9a s PRO 419 CO 0.04 0.32 1.65 0.28 0.04 0.00 0.00 177.00 179.33 1n9a n VAL 420 N 0.65 0.26 -1.48 -0.36 0.31 -1.26 -4.71 118.33 111.74 1n9a n VAL 420 Ca 0.00 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1n9a n VAL 420 Cb 0.50 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 1n9a n VAL 420 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n9a n PRO 421 N 3.38 0.14 -2.75 5.55 -0.02 -1.26 -4.88 135.00 135.15 1n9a n PRO 421 Ca 0.14 -1.25 -0.40 0.00 -2.02 0.00 0.00 63.50 59.97 1n9a n PRO 421 Cb 0.34 -3.33 -0.06 0.00 -0.02 0.00 0.00 33.50 30.43 1n9a n PRO 421 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1n9a s GLY 422 N 7.18 3.08 0.00 -1.23 0.00 -1.26 -5.01 107.32 110.08 1n9a s GLY 422 Ca 0.72 0.60 0.00 0.00 0.00 0.00 0.00 44.72 46.04 1n9a s GLY 422 CO 0.16 1.26 0.00 1.97 0.00 0.00 0.00 173.10 176.48