#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9a s ASN 3 N 0.00 6.12 0.46 0.00 3.84 -1.26 -4.98 114.94 119.11 1s9a s ASN 3 Ca 0.00 -0.09 0.17 0.00 0.21 0.00 0.00 52.86 53.15 1s9a s ASN 3 Cb 0.00 -2.16 1.08 0.00 -0.55 0.00 0.00 41.25 39.62 1s9a s ASN 3 CO 0.00 -0.19 2.00 0.71 -2.79 0.00 0.00 177.10 176.83 1s9a h THR 4 N 5.44 1.03 0.15 -5.21 1.35 -2.05 -0.71 112.91 112.91 1s9a h THR 4 Ca -0.32 -0.64 0.01 0.00 -0.55 0.00 0.00 66.41 64.91 1s9a h THR 4 Cb 1.17 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1s9a h THR 4 CO 0.62 0.18 -0.19 0.03 -0.25 0.00 0.00 175.52 175.91 1s9a h ARG 5 N 0.00 -0.37 -0.87 4.72 2.47 -1.99 0.36 114.38 118.70 1s9a h ARG 5 Ca -0.00 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1s9a h ARG 5 Cb 0.34 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 1s9a h ARG 5 CO 0.02 -0.25 0.46 0.28 0.56 0.00 0.00 179.97 181.04 1s9a h VAL 6 N -0.39 1.26 -0.13 2.04 2.07 -1.78 -0.83 116.25 118.49 1s9a h VAL 6 Ca 0.01 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1s9a h VAL 6 Cb 0.38 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1s9a h VAL 6 CO -0.07 0.29 -0.02 0.40 0.02 0.00 0.00 177.57 178.19 1s9a h ILE 7 N 1.22 1.28 -0.07 4.57 2.04 -0.93 0.34 117.51 125.95 1s9a h ILE 7 Ca 0.30 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1s9a h ILE 7 Cb 0.06 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1s9a h ILE 7 CO -0.05 0.27 0.02 -0.33 0.00 0.00 0.00 178.15 178.06 1s9a h GLU 8 N -0.05 0.11 -0.30 2.37 5.08 -0.77 -1.82 114.58 119.21 1s9a h GLU 8 Ca 0.04 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1s9a h GLU 8 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1s9a h GLU 8 CO 0.01 0.30 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.07 1s9a h LEU 9 N -0.09 0.68 -0.44 1.33 3.38 -1.15 -2.90 115.31 116.12 1s9a h LEU 9 Ca 0.02 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 57.40 1s9a h LEU 9 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1s9a h LEU 9 CO 0.00 0.96 -0.56 0.15 0.09 0.00 0.00 178.44 179.08 1s9a h PHE 10 N 0.40 0.82 -0.69 1.13 3.04 -0.34 -0.51 116.94 120.80 1s9a h PHE 10 Ca 0.06 -0.29 -0.08 0.00 3.98 0.00 0.00 57.97 61.64 1s9a h PHE 10 Cb 0.72 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 1s9a h PHE 10 CO 0.06 1.06 0.13 -0.44 -2.02 0.00 0.00 178.31 177.10 1s9a h ASP 11 N 0.50 1.08 -0.01 0.41 3.32 -1.39 -0.96 116.42 119.37 1s9a h ASP 11 Ca 0.01 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1s9a h ASP 11 Cb 1.12 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1s9a h ASP 11 CO 0.11 1.06 0.00 -0.08 -1.72 0.00 0.00 179.24 178.61 1s9a h GLU 12 N 1.06 0.01 -0.77 3.56 4.81 -1.40 -2.43 114.58 119.42 1s9a h GLU 12 Ca 0.21 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 1s9a h GLU 12 Cb 0.42 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 1s9a h GLU 12 CO 0.01 0.31 0.36 0.35 -0.73 0.00 0.00 179.01 179.31 1s9a h PHE 13 N -0.29 0.63 -0.40 0.92 3.57 -0.99 0.58 116.94 120.97 1s9a h PHE 13 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1s9a h PHE 13 Cb 0.30 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1s9a h PHE 13 CO 0.03 0.15 0.01 1.79 -2.23 0.00 0.00 178.31 178.06 1s9a h THR 14 N 0.55 1.26 -0.93 4.41 1.35 -1.14 -0.56 112.91 117.85 1s9a h THR 14 Ca 0.41 -0.99 0.10 0.00 -0.55 0.00 0.00 66.41 65.37 1s9a h THR 14 Cb 0.55 1.12 -0.07 0.00 -1.73 0.00 0.00 68.15 68.02 1s9a h THR 14 CO -0.35 0.34 0.60 0.44 -0.25 0.00 0.00 175.52 176.30 1s9a h ASP 15 N 0.52 0.86 -0.23 5.36 3.32 -0.87 -0.36 116.42 125.02 1s9a h ASP 15 Ca 0.11 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1s9a h ASP 15 Cb 0.46 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1s9a h ASP 15 CO 0.02 0.50 0.00 -0.07 -1.72 0.00 0.00 179.24 177.97 1s9a h LEU 16 N 0.95 0.40 -0.44 1.55 4.07 -0.52 -0.99 115.31 120.34 1s9a h LEU 16 Ca 0.43 -0.31 -0.18 0.00 0.08 0.00 0.00 57.88 57.91 1s9a h LEU 16 Cb 0.39 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1s9a h LEU 16 CO -0.19 0.61 -0.68 0.40 -1.08 0.00 0.00 178.44 177.50 1s9a h ILE 17 N 0.19 1.36 -0.47 1.22 1.08 -0.95 -2.05 117.51 117.89 1s9a h ILE 17 Ca 0.07 -2.04 -0.02 0.00 -0.39 0.00 0.00 64.86 62.47 1s9a h ILE 17 Cb 0.40 2.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 1s9a h ILE 17 CO 0.01 0.62 0.20 0.03 -0.69 0.00 0.00 178.15 178.32 1s9a h ARG 18 N 0.31 0.70 -0.28 2.37 3.08 -1.00 0.18 114.38 119.74 1s9a h ARG 18 Ca -0.02 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1s9a h ARG 18 Cb 1.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1s9a h ARG 18 CO 0.12 0.62 0.08 -0.44 -1.07 0.00 0.00 179.97 179.28 1s9a h ASP 19 N 0.62 0.35 0.28 7.04 3.32 -1.10 -1.68 116.42 125.25 1s9a h ASP 19 Ca 0.16 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1s9a h ASP 19 Cb 0.17 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1s9a h ASP 19 CO -0.02 0.36 -0.13 0.15 -1.72 0.00 0.00 179.24 177.88 1s9a h PHE 20 N 0.39 -0.35 -0.82 4.55 3.04 -0.78 0.36 116.94 123.34 1s9a h PHE 20 Ca 0.10 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.18 1s9a h PHE 20 Cb 0.14 0.11 -0.14 0.00 2.56 0.00 0.00 35.95 38.62 1s9a h PHE 20 CO 0.00 0.01 -0.33 0.82 -2.02 0.00 0.00 178.31 176.80 1s9a h ILE 21 N -0.83 0.09 0.51 1.41 2.04 -0.87 0.65 117.51 120.51 1s9a h ILE 21 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1s9a h ILE 21 Cb 0.51 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1s9a h ILE 21 CO 0.06 0.00 -0.24 0.58 0.00 0.00 0.00 178.15 178.55 1s9a h VAL 22 N -0.06 0.44 -0.79 1.67 2.07 -1.27 -0.77 116.25 117.54 1s9a h VAL 22 Ca 0.32 -0.31 0.18 0.00 0.82 0.00 0.00 66.70 67.71 1s9a h VAL 22 Cb 0.59 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 30.81 1s9a h VAL 22 CO -0.85 0.05 0.25 0.03 0.02 0.00 0.00 177.57 177.06 1s9a h ARG 23 N -0.88 0.31 -0.02 1.57 3.08 0.20 -1.86 114.38 116.78 1s9a h ARG 23 Ca -0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1s9a h ARG 23 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1s9a h ARG 23 CO 0.11 0.20 -0.19 0.72 -1.07 0.00 0.00 179.97 179.74 1s9a n HIS 24 N -5.12 0.00 -3.15 3.04 8.25 0.18 -4.99 115.22 113.43 1s9a n HIS 24 Ca 0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 1s9a n HIS 24 Cb 0.52 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.69 1s9a n HIS 24 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1s9a n GLU 25 N 0.46 -4.68 -2.39 -0.41 1.02 -0.42 -4.91 120.64 109.31 1s9a n GLU 25 Ca 0.13 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.57 1s9a n GLU 25 Cb 0.49 -5.31 -0.02 0.00 -0.02 0.00 0.00 31.44 26.57 1s9a n GLU 25 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1s9a s ILE 26 N -3.31 4.19 0.71 -3.67 1.01 -0.49 -5.00 121.20 114.64 1s9a s ILE 26 Ca 0.10 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.14 1s9a s ILE 26 Cb -0.01 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1s9a s ILE 26 CO 0.62 -0.08 1.04 0.42 0.00 0.00 0.00 174.94 176.94 1s9a s THR 27 N 3.07 2.62 0.16 2.92 -4.23 -1.26 -4.84 115.64 114.07 1s9a s THR 27 Ca 0.57 -0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.82 1s9a s THR 27 Cb -0.24 -3.14 0.06 0.00 1.34 0.00 0.00 72.50 70.51 1s9a s THR 27 CO 0.19 -0.17 1.66 0.74 -0.54 0.00 0.00 174.62 176.50 1s9a h THR 28 N -0.63 0.55 0.04 3.99 2.02 -1.99 -0.04 112.91 116.85 1s9a h THR 28 Ca -0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.76 1s9a h THR 28 Cb 1.30 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1s9a h THR 28 CO 0.62 0.00 -0.24 -0.65 0.37 0.00 0.00 175.52 175.62 1s9a h PRO 29 N -0.09 -0.38 -0.58 6.66 0.11 -1.99 -1.10 132.00 134.63 1s9a h PRO 29 Ca 0.16 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.41 1s9a h PRO 29 Cb 0.34 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 31.44 1s9a h PRO 29 CO -0.38 -0.26 0.07 0.93 -0.21 0.00 0.00 178.00 178.16 1s9a h GLU 30 N -0.40 0.18 -0.66 1.05 5.08 -1.91 0.56 114.58 118.49 1s9a h GLU 30 Ca 0.05 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1s9a h GLU 30 Cb 0.46 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1s9a h GLU 30 CO -0.19 0.12 0.34 -0.92 -1.00 0.00 0.00 179.01 177.36 1s9a h TYR 31 N 0.19 0.62 -0.48 4.33 -0.00 -0.76 -1.37 116.97 119.50 1s9a h TYR 31 Ca 0.30 0.03 -0.06 0.00 -0.00 0.00 0.00 58.73 59.00 1s9a h TYR 31 Cb 0.46 -0.18 -0.02 0.00 -0.00 0.00 0.00 36.73 36.99 1s9a h TYR 31 CO -0.29 0.26 0.04 0.93 -0.00 0.00 0.00 178.16 179.10 1s9a h GLU 32 N 0.61 0.76 -0.36 1.82 5.08 0.23 0.15 114.58 122.88 1s9a h GLU 32 Ca 0.31 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1s9a h GLU 32 Cb 0.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1s9a h GLU 32 CO -0.22 0.75 -0.20 1.15 -1.00 0.00 0.00 179.01 179.49 1s9a h THR 33 N 0.72 1.26 -0.03 1.13 2.02 -0.46 0.50 112.91 118.05 1s9a h THR 33 Ca 0.15 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.01 1s9a h THR 33 Cb 0.39 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1s9a h THR 33 CO 0.01 0.42 -0.24 0.40 0.37 0.00 0.00 175.52 176.48 1s9a h ILE 34 N 0.60 1.48 -0.46 3.11 2.04 -0.94 0.29 117.51 123.62 1s9a h ILE 34 Ca 0.09 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.25 1s9a h ILE 34 Cb 0.66 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 1s9a h ILE 34 CO 0.05 0.49 0.19 -0.03 0.00 0.00 0.00 178.15 178.84 1s9a h MET 35 N -0.36 0.37 -0.35 2.37 4.05 -0.55 0.46 114.93 120.92 1s9a h MET 35 Ca -0.02 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 1s9a h MET 35 Cb 0.92 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 1s9a h MET 35 CO 0.05 0.24 -0.28 0.37 0.23 0.00 0.00 176.91 177.53 1s9a h GLN 36 N 0.38 0.72 -0.48 0.39 5.75 0.09 -2.58 115.11 119.38 1s9a h GLN 36 Ca 0.21 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 1s9a h GLN 36 Cb 0.18 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1s9a h GLN 36 CO -0.19 0.91 -0.13 -0.92 -2.65 0.00 0.00 178.83 175.85 1s9a h TYR 37 N 0.62 1.00 -0.71 3.99 5.03 0.20 -2.40 116.97 124.70 1s9a h TYR 37 Ca 0.08 -0.20 -0.06 0.00 2.58 0.00 0.00 58.73 61.12 1s9a h TYR 37 Cb 0.78 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 1s9a h TYR 37 CO 0.04 0.96 0.20 0.52 -1.32 0.00 0.00 178.16 178.57 1s9a h MET 38 N 0.80 1.12 -0.57 1.82 2.86 -0.84 -2.37 114.93 117.75 1s9a h MET 38 Ca 0.13 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1s9a h MET 38 Cb 0.66 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1s9a h MET 38 CO 0.05 0.97 0.32 0.82 1.06 0.00 0.00 176.91 180.13 1s9a h ILE 39 N 1.06 1.19 -0.07 -1.22 2.04 -1.10 -2.69 117.51 116.72 1s9a h ILE 39 Ca 0.23 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1s9a h ILE 39 Cb 0.33 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1s9a h ILE 39 CO -0.00 0.20 -0.32 0.77 0.00 0.00 0.00 178.15 178.80 1s9a h SER 40 N 0.77 0.12 -0.21 1.72 4.64 -1.09 -0.27 113.55 119.23 1s9a h SER 40 Ca 0.20 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1s9a h SER 40 Cb 0.03 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1s9a h SER 40 CO -0.03 0.44 0.12 0.58 -0.87 0.00 0.00 176.83 177.07 1s9a h VAL 41 N 0.11 1.03 -0.54 0.95 2.07 -1.11 0.11 116.25 118.86 1s9a h VAL 41 Ca 0.01 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1s9a h VAL 41 Cb 0.62 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1s9a h VAL 41 CO 0.05 0.05 0.32 1.23 0.02 0.00 0.00 177.57 179.23 1s9a h GLY 42 N 0.26 0.77 2.00 2.17 0.00 -1.22 0.58 103.07 107.63 1s9a h GLY 42 Ca 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1s9a h GLY 42 CO -0.04 0.19 -0.08 0.83 0.00 0.00 0.00 176.54 177.45 1s9a h GLU 43 N 0.63 0.00 -0.04 4.80 5.08 -0.75 -2.41 114.58 121.89 1s9a h GLU 43 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1s9a h GLU 43 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s9a h GLU 43 CO -0.11 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1s9a n ALA 44 N -2.19 2.50 -2.93 3.43 0.00 0.34 -4.96 120.51 116.71 1s9a n ALA 44 Ca -0.01 -0.61 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1s9a n ALA 44 Cb 0.25 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.79 1s9a n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9a n GLY 45 N 1.29 -0.43 0.68 0.00 0.00 -0.78 -4.94 105.19 101.01 1s9a n GLY 45 Ca 0.16 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1s9a n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s9a n GLU 46 N -3.74 1.58 -0.07 1.61 1.02 0.13 -4.62 120.64 116.56 1s9a n GLU 46 Ca -0.11 -1.64 -0.07 0.00 -0.02 0.00 0.00 57.16 55.32 1s9a n GLU 46 Cb 0.62 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 1s9a n GLU 46 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1s9a h TRP 47 N 2.94 -0.35 -0.09 -0.32 -0.00 -1.92 0.43 115.95 116.64 1s9a h TRP 47 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1s9a h TRP 47 Cb 0.69 0.20 -0.06 0.00 -0.00 0.00 0.00 29.16 29.98 1s9a h TRP 47 CO 0.09 -0.21 -0.32 -1.35 -0.00 0.00 0.00 178.44 176.64 1s9a h PRO 48 N -0.11 -0.40 -0.38 0.49 0.11 -1.97 -0.82 132.00 128.92 1s9a h PRO 48 Ca 0.15 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.34 1s9a h PRO 48 Cb 0.33 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 1s9a h PRO 48 CO -0.35 -0.27 0.11 1.25 -0.21 0.00 0.00 178.00 178.54 1s9a h LEU 49 N -0.42 0.10 0.55 2.35 5.85 -1.67 -0.53 115.31 121.55 1s9a h LEU 49 Ca 0.09 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1s9a h LEU 49 Cb 0.55 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1s9a h LEU 49 CO -0.33 0.09 -0.37 -0.25 -0.34 0.00 0.00 178.44 177.25 1s9a h TRP 50 N 0.26 -0.98 -0.40 1.25 7.01 0.06 0.34 115.95 123.49 1s9a h TRP 50 Ca 0.18 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.07 1s9a h TRP 50 Cb 0.18 0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.58 1s9a h TRP 50 CO -0.16 -0.55 -0.15 -0.07 -2.79 0.00 0.00 178.44 174.72 1s9a h LEU 51 N -0.88 0.73 -0.75 0.65 3.38 -1.04 -1.60 115.31 115.79 1s9a h LEU 51 Ca -0.06 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1s9a h LEU 51 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1s9a h LEU 51 CO 0.05 0.89 -0.25 0.44 0.09 0.00 0.00 178.44 179.66 1s9a h ASP 52 N 0.65 0.69 -0.73 -0.43 3.32 -1.07 0.27 116.42 119.13 1s9a h ASP 52 Ca 0.11 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1s9a h ASP 52 Cb 0.62 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1s9a h ASP 52 CO 0.04 0.91 0.47 0.00 -1.72 0.00 0.00 179.24 178.95 1s9a h ALA 53 N 1.14 0.92 0.00 3.45 0.00 0.07 -3.24 119.26 121.60 1s9a h ALA 53 Ca 0.08 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 1s9a h ALA 53 Cb 0.73 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1s9a h ALA 53 CO 0.06 0.35 -2.35 1.19 0.00 0.00 0.00 179.25 178.49 1s9a n PHE 54 N -4.57 0.00 0.00 0.00 3.72 -1.00 -4.26 117.46 111.34 1s9a n PHE 54 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1s9a n PHE 54 Cb 0.02 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.59 1s9a n PHE 54 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1s9a n PHE 55 N -2.76 0.00 -0.04 1.38 0.99 0.92 -4.69 117.46 113.26 1s9a n PHE 55 Ca -0.33 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.32 1s9a n PHE 55 Cb 1.13 0.00 0.67 0.00 -1.00 0.00 0.00 39.48 40.27 1s9a n PHE 55 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1s9a h GLU 56 N 0.00 0.06 -0.40 -1.08 4.81 -1.54 0.20 114.58 116.63 1s9a h GLU 56 Ca 0.00 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1s9a h GLU 56 Cb 0.80 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.10 1s9a h GLU 56 CO 0.00 0.04 -0.00 1.15 -0.73 0.00 0.00 179.01 179.47 1s9a h THR 57 N 0.06 0.69 -0.35 0.32 2.02 -1.84 0.35 112.91 114.17 1s9a h THR 57 Ca 0.29 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.32 1s9a h THR 57 Cb 1.06 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1s9a h THR 57 CO -0.02 0.02 -0.23 0.74 0.37 0.00 0.00 175.52 176.40 1s9a h THR 58 N 0.10 1.29 -0.61 3.16 2.02 -0.92 0.14 112.91 118.09 1s9a h THR 58 Ca 0.20 -1.38 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 1s9a h THR 58 Cb 0.28 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1s9a h THR 58 CO -0.33 0.45 0.20 -0.37 0.37 0.00 0.00 175.52 175.83 1s9a h VAL 59 N 0.56 1.23 -0.64 3.16 -1.51 -1.27 -2.44 116.25 115.34 1s9a h VAL 59 Ca 0.07 -0.78 0.01 0.00 -1.23 0.00 0.00 66.70 64.78 1s9a h VAL 59 Cb 0.79 0.55 -0.04 0.00 -2.13 0.00 0.00 31.29 30.47 1s9a h VAL 59 CO 0.06 0.30 0.42 -0.78 -1.23 0.00 0.00 177.57 176.34 1s9a h ASP 60 N 0.89 0.71 -0.64 4.19 3.58 0.30 -2.80 116.42 122.65 1s9a h ASP 60 Ca 0.20 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.67 1s9a h ASP 60 Cb 0.25 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1s9a h ASP 60 CO -0.01 0.51 0.42 0.77 -2.88 0.00 0.00 179.24 178.05 1s9a h SER 61 N 0.84 0.67 0.69 2.28 4.64 -0.25 -3.03 113.55 119.40 1s9a h SER 61 Ca 0.24 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1s9a h SER 61 Cb -0.06 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1s9a h SER 61 CO -0.07 0.47 -1.39 1.33 -0.87 0.00 0.00 176.83 176.30 1s9a n VAL 62 N -4.46 0.91 0.13 0.95 0.24 -1.10 -4.31 118.33 110.70 1s9a n VAL 62 Ca 0.07 -0.64 -0.24 0.00 -2.04 0.00 0.00 64.34 61.50 1s9a n VAL 62 Cb 0.11 -0.53 -0.16 0.00 -1.47 0.00 0.00 33.84 31.79 1s9a n VAL 62 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1s9a h SER 63 N 0.00 0.81 -4.27 -1.34 0.87 -1.38 -3.46 113.55 104.77 1s9a h SER 63 Ca -0.12 -0.92 -0.51 0.00 -1.23 0.00 0.00 61.79 59.01 1s9a h SER 63 Cb 1.38 -0.26 -0.28 0.00 -0.44 0.00 0.00 62.40 62.79 1s9a h SER 63 CO 0.03 1.67 -0.82 -0.47 -0.53 0.00 0.00 176.83 176.71 1s9a s TYR 64 N -2.59 1.43 0.35 2.24 5.04 -1.17 -5.13 117.35 117.52 1s9a s TYR 64 Ca -0.10 -0.29 0.08 0.00 -2.44 0.00 0.00 57.07 54.32 1s9a s TYR 64 Cb 0.04 -0.90 -0.03 0.00 0.35 0.00 0.00 41.96 41.42 1s9a s TYR 64 CO 0.93 -0.00 0.30 0.20 -1.34 0.00 0.00 175.55 175.65 1s9a s GLY 65 N -0.58 1.87 0.62 8.97 0.00 -1.26 -4.75 107.32 112.19 1s9a s GLY 65 Ca 0.06 -1.71 -0.10 0.00 0.00 0.00 0.00 44.72 42.96 1s9a s GLY 65 CO -0.00 -1.61 1.01 0.54 0.00 0.00 0.00 173.10 173.04 1s9a s LYS 66 N -4.02 3.41 0.00 2.90 1.02 -1.26 -4.84 119.74 116.96 1s9a s LYS 66 Ca 0.42 0.60 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1s9a s LYS 66 Cb -0.05 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1s9a s LYS 66 CO 0.27 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 1s9a n GLY 67 N -2.74 -0.67 2.03 -3.33 0.00 -1.26 -4.95 105.19 94.27 1s9a n GLY 67 Ca 0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1s9a n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s9a n ASN 68 N 0.00 5.98 -4.42 1.61 6.94 -1.26 -4.84 115.26 119.26 1s9a n ASN 68 Ca 0.00 -3.33 -0.21 0.00 -0.02 0.00 0.00 54.58 51.03 1s9a n ASN 68 Cb 0.00 -0.94 -0.11 0.00 -2.36 0.00 0.00 39.78 36.38 1s9a n ASN 68 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1s9a s TRP 69 N -2.63 1.89 0.16 -2.53 -2.14 -1.26 -4.83 118.94 107.60 1s9a s TRP 69 Ca 0.45 -0.95 -0.31 0.00 2.66 0.00 0.00 56.10 57.95 1s9a s TRP 69 Cb 0.36 -1.20 -0.09 0.00 -3.10 0.00 0.00 33.47 29.44 1s9a s TRP 69 CO 0.02 0.00 1.44 0.99 -2.66 0.00 0.00 176.95 176.74 1s9a s THR 70 N -3.32 3.00 0.40 0.66 2.01 -0.36 -4.92 115.64 113.11 1s9a s THR 70 Ca 0.35 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.83 1s9a s THR 70 Cb 0.08 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 1s9a s THR 70 CO 0.14 0.07 1.33 -0.44 -0.69 0.00 0.00 174.62 175.03 1s9a s SER 71 N 0.93 6.31 0.74 3.53 0.01 -1.26 -4.96 113.70 119.01 1s9a s SER 71 Ca 0.65 2.71 -0.09 0.00 1.31 0.00 0.00 55.95 60.52 1s9a s SER 71 Cb -0.40 -2.64 0.06 0.00 0.21 0.00 0.00 66.02 63.25 1s9a s SER 71 CO 0.33 -0.86 1.08 -0.94 0.41 0.00 0.00 173.24 173.27 1s9a s SER 72 N -0.66 4.82 0.26 2.44 1.04 -1.26 -4.78 113.70 115.56 1s9a s SER 72 Ca 0.56 0.68 -0.10 0.00 0.48 0.00 0.00 55.95 57.58 1s9a s SER 72 Cb -0.39 -1.31 -0.01 0.00 0.10 0.00 0.00 66.02 64.41 1s9a s SER 72 CO 0.51 -1.66 0.44 0.00 0.98 0.00 0.00 173.24 173.51 1s9a s ALA 73 N -3.37 0.09 0.74 5.32 0.00 -0.64 -4.88 121.76 119.01 1s9a s ALA 73 Ca 0.60 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 1s9a s ALA 73 Cb -0.11 1.12 0.04 0.00 0.00 0.00 0.00 23.12 24.17 1s9a s ALA 73 CO 0.47 -0.81 1.23 0.44 0.00 0.00 0.00 175.76 177.09 1s9a n ILE 74 N -0.40 3.34 0.03 0.00 -5.35 -1.26 -4.13 119.36 111.59 1s9a n ILE 74 Ca -0.01 -0.34 -0.07 0.00 -0.27 0.00 0.00 62.75 62.06 1s9a n ILE 74 Cb 0.62 -1.32 -0.12 0.00 -1.74 0.00 0.00 39.64 37.08 1s9a n ILE 74 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1s9a h GLN 75 N -0.26 0.00 -2.18 6.28 4.15 -1.93 -3.44 115.11 117.73 1s9a h GLN 75 Ca -0.48 0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.20 1s9a h GLN 75 Cb 1.32 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.94 1s9a h GLN 75 CO 0.49 0.75 -0.36 0.41 -1.93 0.00 0.00 178.83 178.19 1s9a n GLY 76 N 1.43 -1.72 0.12 2.39 0.00 -1.26 -4.48 105.19 101.66 1s9a n GLY 76 Ca -0.07 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.81 1s9a n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s9a n PRO 77 N -3.22 0.59 -0.62 1.61 -0.04 -1.26 -4.44 135.00 127.63 1s9a n PRO 77 Ca 0.01 -0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.30 1s9a n PRO 77 Cb 0.45 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.74 1s9a n PRO 77 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1s9a n PHE 78 N -0.99 1.42 -2.03 0.54 0.99 -1.26 -4.95 117.46 111.18 1s9a n PHE 78 Ca 0.12 -0.73 -0.32 0.00 -0.00 0.00 0.00 57.45 56.52 1s9a n PHE 78 Cb 0.30 -0.34 0.01 0.00 -1.00 0.00 0.00 39.48 38.45 1s9a n PHE 78 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 1s9a s PHE 79 N -2.41 3.16 -0.11 1.38 5.36 -1.26 -4.97 117.98 119.14 1s9a s PHE 79 Ca 0.47 1.47 -0.07 0.00 -0.96 0.00 0.00 56.93 57.84 1s9a s PHE 79 Cb 0.35 -2.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.16 1s9a s PHE 79 CO 0.16 -0.93 0.27 0.21 -1.46 0.00 0.00 175.22 173.47 1s9a s LYS 80 N -4.33 0.25 0.68 10.12 2.47 -1.26 -5.14 119.74 122.53 1s9a s LYS 80 Ca 0.61 0.53 -0.11 0.00 -1.56 0.00 0.00 55.97 55.44 1s9a s LYS 80 Cb -0.14 -0.05 0.01 0.00 -1.46 0.00 0.00 37.83 36.19 1s9a s LYS 80 CO 0.40 -0.14 1.06 -1.21 0.16 0.00 0.00 175.35 175.63 1s9a s GLU 81 N 1.04 2.94 -1.27 4.03 0.41 -1.26 -4.32 118.70 120.27 1s9a s GLU 81 Ca -0.07 0.42 -0.02 0.00 -0.41 0.00 0.00 54.97 54.88 1s9a s GLU 81 Cb -0.08 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1s9a s GLU 81 CO -0.07 -0.94 0.30 0.41 -0.49 0.00 0.00 175.26 174.47 1s9a n GLY 82 N -2.92 -0.26 3.77 -1.39 0.00 -1.26 -5.00 105.19 98.12 1s9a n GLY 82 Ca 0.06 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1s9a n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9a s ALA 83 N -2.95 2.73 0.19 4.61 0.00 -1.26 -4.96 121.76 120.11 1s9a s ALA 83 Ca 0.15 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1s9a s ALA 83 Cb -0.07 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1s9a s ALA 83 CO 0.19 -0.82 1.30 -1.25 0.00 0.00 0.00 175.76 175.18 1s9a s PRO 84 N -3.17 4.39 0.21 0.00 0.04 -1.26 -4.32 135.00 130.90 1s9a s PRO 84 Ca 0.72 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.47 1s9a s PRO 84 Cb -0.26 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 30.95 1s9a s PRO 84 CO 0.30 -0.25 1.65 -0.11 0.04 0.00 0.00 177.00 178.62 1s9a n LEU 85 N 2.76 3.80 -4.28 -3.56 7.94 -1.26 -1.04 117.00 121.36 1s9a n LEU 85 Ca 0.06 1.09 -0.36 0.00 -1.11 0.00 0.00 56.01 55.69 1s9a n LEU 85 Cb 0.43 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.71 1s9a n LEU 85 CO 0.58 0.03 -0.34 -0.76 -1.11 0.00 0.00 177.39 175.79 1s9a s LEU 86 N 0.77 3.50 0.29 -1.96 1.02 0.36 -4.86 118.68 117.79 1s9a s LEU 86 Ca 0.74 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1s9a s LEU 86 Cb -0.55 -1.78 -0.06 0.00 0.02 0.00 0.00 46.19 43.82 1s9a s LEU 86 CO 0.37 -0.15 0.08 0.42 0.02 0.00 0.00 176.35 177.09 1s9a s THR 87 N 1.43 0.85 -0.96 5.49 -4.23 -1.26 -4.57 115.64 112.39 1s9a s THR 87 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1s9a s THR 87 Cb -0.17 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1s9a s THR 87 CO -0.01 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1s9a n GLY 88 N -0.57 0.54 0.00 3.99 0.00 -1.26 -4.65 105.19 103.25 1s9a n GLY 88 Ca -0.01 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1s9a n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s9a n LYS 89 N -0.39 0.00 -3.15 1.61 0.00 -1.26 -3.33 118.16 111.64 1s9a n LYS 89 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1s9a n LYS 89 Cb 0.00 -0.38 -0.07 0.00 -0.00 0.00 0.00 35.03 34.59 1s9a n LYS 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1s9a s PRO 90 N 0.00 3.61 0.19 -1.58 0.04 -1.26 -5.07 135.00 130.94 1s9a s PRO 90 Ca 0.00 -0.06 -0.33 0.00 0.04 0.00 0.00 61.00 60.65 1s9a s PRO 90 Cb 0.00 -3.83 -0.13 0.00 0.04 0.00 0.00 34.50 30.58 1s9a s PRO 90 CO 0.00 -0.74 1.56 0.00 0.04 0.00 0.00 177.00 177.86 1s9a n ALA 91 N 5.98 1.55 -3.07 8.56 0.00 -1.21 -4.84 120.51 127.49 1s9a n ALA 91 Ca -0.02 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1s9a n ALA 91 Cb 0.49 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 1s9a n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s9a s THR 92 N 0.69 0.75 0.29 0.00 2.01 -1.26 -1.48 115.64 116.64 1s9a s THR 92 Ca 0.75 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1s9a s THR 92 Cb -0.64 -0.67 -0.11 0.00 0.01 0.00 0.00 72.50 71.08 1s9a s THR 92 CO 0.40 0.24 1.54 -0.76 -0.69 0.00 0.00 174.62 175.35 1s9a s LEU 93 N 0.24 4.35 0.20 4.42 1.43 -0.85 -4.91 118.68 123.56 1s9a s LEU 93 Ca -0.04 2.89 -0.33 0.00 -1.03 0.00 0.00 54.13 55.62 1s9a s LEU 93 Cb -0.09 -3.64 -0.14 0.00 0.03 0.00 0.00 46.19 42.36 1s9a s LEU 93 CO 0.00 -0.85 1.51 -0.81 0.23 0.00 0.00 176.35 176.43 1s9a n PRO 94 N 2.04 2.13 -3.89 1.29 -0.04 -1.26 -4.81 135.00 130.46 1s9a n PRO 94 Ca 0.07 0.76 -0.11 0.00 -0.04 0.00 0.00 63.50 64.18 1s9a n PRO 94 Cb 0.38 -2.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.23 1s9a n PRO 94 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1s9a s MET 95 N 0.35 0.23 0.73 0.54 1.75 -1.26 -0.30 119.30 121.34 1s9a s MET 95 Ca 0.74 -0.19 -0.11 0.00 -1.25 0.00 0.00 55.69 54.88 1s9a s MET 95 Cb -0.66 0.09 0.03 0.00 2.84 0.00 0.00 34.83 37.13 1s9a s MET 95 CO 0.43 -0.04 1.08 1.03 -0.65 0.00 0.00 175.02 176.86 1s9a s ARG 96 N -0.66 2.59 0.19 4.11 0.52 -1.26 -4.95 118.95 119.49 1s9a s ARG 96 Ca -0.07 1.10 -0.33 0.00 -0.52 0.00 0.00 55.73 55.91 1s9a s ARG 96 Cb -0.05 -1.94 -0.13 0.00 0.52 0.00 0.00 34.95 33.36 1s9a s ARG 96 CO 0.00 -1.38 1.66 0.00 0.02 0.00 0.00 175.30 175.61 1s9a n ALA 97 N -3.24 2.21 -3.84 2.13 0.00 -1.26 -2.20 120.51 114.30 1s9a n ALA 97 Ca 0.09 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.68 1s9a n ALA 97 Cb 0.53 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.55 1s9a n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s9a n ASP 98 N 3.73 -2.86 -4.68 0.00 9.92 -1.26 -4.88 116.55 116.52 1s9a n ASP 98 Ca 0.16 -0.82 -0.47 0.00 -0.53 0.00 0.00 54.79 53.13 1s9a n ASP 98 Cb 0.32 -3.84 -0.04 0.00 -0.64 0.00 0.00 41.12 36.92 1s9a n ASP 98 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1s9a n GLU 99 N -4.48 2.20 -1.68 -1.24 4.07 -0.94 -4.88 120.64 113.68 1s9a n GLU 99 Ca -0.13 0.80 -0.44 0.00 -0.06 0.00 0.00 57.16 57.33 1s9a n GLU 99 Cb 0.60 -2.62 -0.02 0.00 -0.06 0.00 0.00 31.44 29.34 1s9a n GLU 99 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1s9a n PRO 100 N 5.35 2.11 0.00 5.31 -0.02 -1.26 -4.90 135.00 141.59 1s9a n PRO 100 Ca 0.20 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1s9a n PRO 100 Cb 0.30 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1s9a n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9a n GLY 101 N 1.72 1.95 3.75 -1.23 0.00 -1.26 -4.58 105.19 105.54 1s9a n GLY 101 Ca 0.09 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 1s9a n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s9a s ASP 102 N 0.00 7.11 0.28 1.61 1.01 -1.26 -4.92 116.67 120.50 1s9a s ASP 102 Ca 0.00 1.33 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 1s9a s ASP 102 Cb 0.00 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.39 1s9a s ASP 102 CO 0.00 0.02 1.53 0.00 0.21 0.00 0.00 175.17 176.93 1s9a s ARG 103 N 0.02 4.18 -0.01 8.23 1.70 -1.26 -0.30 118.95 131.52 1s9a s ARG 103 Ca 0.36 2.46 0.07 0.00 -0.47 0.00 0.00 55.73 58.16 1s9a s ARG 103 Cb -0.19 -3.06 -0.02 0.00 -0.57 0.00 0.00 34.95 31.11 1s9a s ARG 103 CO 0.21 -0.54 -0.23 1.41 -1.08 0.00 0.00 175.30 175.07 1s9a s MET 104 N -0.47 1.80 -0.13 3.89 -2.45 0.26 -1.70 119.30 120.50 1s9a s MET 104 Ca 0.61 -0.85 0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1s9a s MET 104 Cb -0.45 -1.77 0.01 0.00 1.25 0.00 0.00 34.83 33.87 1s9a s MET 104 CO 0.46 0.48 -0.19 0.50 1.05 0.00 0.00 175.02 177.33 1s9a s ARG 105 N -0.64 2.65 -0.17 4.11 3.52 0.04 -1.52 118.95 126.94 1s9a s ARG 105 Ca 0.09 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1s9a s ARG 105 Cb -0.09 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1s9a s ARG 105 CO -0.00 -0.05 -0.05 0.12 -0.81 0.00 0.00 175.30 174.51 1s9a s PHE 106 N 0.94 2.99 0.27 5.12 2.19 0.16 -1.28 117.98 128.37 1s9a s PHE 106 Ca -0.06 -0.45 0.06 0.00 0.33 0.00 0.00 56.93 56.81 1s9a s PHE 106 Cb -0.15 -1.98 -0.06 0.00 -1.31 0.00 0.00 43.02 39.53 1s9a s PHE 106 CO -0.03 -0.15 -0.04 0.95 1.83 0.00 0.00 175.22 177.78 1s9a s THR 107 N 0.59 1.45 -5.00 0.12 -4.23 -0.13 -1.69 115.64 106.74 1s9a s THR 107 Ca -0.03 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1s9a s THR 107 Cb -0.15 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1s9a s THR 107 CO 0.03 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1s9a n GLY 108 N -0.54 -0.02 3.59 3.99 0.00 -0.79 -1.18 105.19 110.23 1s9a n GLY 108 Ca -0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1s9a n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s9a s SER 109 N -4.00 -0.14 -0.10 1.61 1.04 -0.96 0.13 113.70 111.27 1s9a s SER 109 Ca 0.00 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1s9a s SER 109 Cb 0.00 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1s9a s SER 109 CO 0.00 -1.13 -0.12 0.68 0.98 0.00 0.00 173.24 173.66 1s9a s VAL 110 N -3.97 1.24 0.28 5.02 -7.23 -0.89 0.16 120.40 115.02 1s9a s VAL 110 Ca 0.17 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1s9a s VAL 110 Cb -0.01 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1s9a s VAL 110 CO 0.05 0.39 0.15 -0.13 -0.31 0.00 0.00 175.10 175.26 1s9a s ARG 111 N 1.22 1.52 0.46 4.82 0.52 0.60 -1.33 118.95 126.76 1s9a s ARG 111 Ca -0.03 -1.85 0.08 0.00 -0.52 0.00 0.00 55.73 53.41 1s9a s ARG 111 Cb -0.14 -0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.31 1s9a s ARG 111 CO -0.04 -0.43 0.54 0.16 0.02 0.00 0.00 175.30 175.55 1s9a s ASP 112 N -3.33 5.26 0.00 0.23 1.47 0.11 -0.96 116.67 119.45 1s9a s ASP 112 Ca 0.37 -0.69 0.00 0.00 1.18 0.00 0.00 52.55 53.41 1s9a s ASP 112 Cb 0.06 -0.34 0.00 0.00 -0.34 0.00 0.00 42.92 42.30 1s9a s ASP 112 CO 0.17 -0.88 0.65 0.35 0.68 0.00 0.00 175.17 176.14 1s9a n THR 113 N -1.82 0.65 0.10 2.11 -2.24 -1.14 -0.15 114.28 111.79 1s9a n THR 113 Ca 0.07 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 62.08 1s9a n THR 113 Cb 0.61 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1s9a n THR 113 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s9a n SER 114 N -1.15 2.41 0.00 3.42 7.64 -1.26 -4.98 113.62 119.70 1s9a n SER 114 Ca 0.00 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1s9a n SER 114 Cb 0.01 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1s9a n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s9a n GLY 115 N 0.50 1.67 3.72 0.23 0.00 0.78 -5.03 105.19 107.06 1s9a n GLY 115 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1s9a n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s9a s THR 116 N -3.15 3.49 0.18 2.61 2.01 -1.26 -4.67 115.64 114.85 1s9a s THR 116 Ca 0.00 1.09 -0.31 0.00 0.31 0.00 0.00 61.69 62.77 1s9a s THR 116 Cb 0.00 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1s9a s THR 116 CO 0.00 0.09 1.54 -2.16 -0.69 0.00 0.00 174.62 173.41 1s9a s PRO 117 N 0.96 4.22 -1.09 4.92 0.04 -1.26 0.09 135.00 142.88 1s9a s PRO 117 Ca 0.62 2.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.90 1s9a s PRO 117 Cb -0.35 -3.15 0.24 0.00 0.04 0.00 0.00 34.50 31.29 1s9a s PRO 117 CO 0.31 -0.58 1.14 0.42 0.04 0.00 0.00 177.00 178.33 1s9a s ILE 118 N 0.95 5.71 -0.35 0.56 1.01 -0.44 -4.85 121.20 123.79 1s9a s ILE 118 Ca 0.68 -3.08 0.25 0.00 0.00 0.00 0.00 60.65 58.51 1s9a s ILE 118 Cb -0.43 -4.66 0.27 0.00 0.01 0.00 0.00 42.46 37.65 1s9a s ILE 118 CO 0.33 -1.27 1.76 0.71 0.00 0.00 0.00 174.94 176.47 1s9a h THR 119 N 4.09 0.00 0.00 2.92 1.35 -1.87 -2.72 112.91 116.68 1s9a h THR 119 Ca 0.20 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1s9a h THR 119 Cb 0.90 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1s9a h THR 119 CO 1.03 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.87 1s9a n GLY 120 N -0.09 -1.69 3.74 5.82 0.00 -1.26 -4.71 105.19 107.00 1s9a n GLY 120 Ca 0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1s9a n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9a s ALA 121 N -3.11 2.59 -0.04 4.61 0.00 -1.03 -4.72 121.76 120.07 1s9a s ALA 121 Ca 0.10 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1s9a s ALA 121 Cb 0.12 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1s9a s ALA 121 CO 0.61 -1.40 -0.11 0.54 0.00 0.00 0.00 175.76 175.39 1s9a s VAL 122 N -1.40 0.99 -0.34 0.00 0.11 -0.41 -4.38 120.40 114.97 1s9a s VAL 122 Ca 0.77 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1s9a s VAL 122 Cb -0.37 -0.89 0.05 0.00 -1.53 0.00 0.00 36.38 33.64 1s9a s VAL 122 CO 0.41 0.31 0.10 -0.63 -3.33 0.00 0.00 175.10 171.96 1s9a s ILE 123 N 0.37 3.58 0.16 7.04 1.09 -0.29 -2.32 121.20 130.83 1s9a s ILE 123 Ca -0.08 -1.29 -0.30 0.00 -1.10 0.00 0.00 60.65 57.88 1s9a s ILE 123 Cb -0.12 -3.08 -0.07 0.00 -1.06 0.00 0.00 42.46 38.13 1s9a s ILE 123 CO 0.02 -0.23 1.11 -1.81 -0.10 0.00 0.00 174.94 173.93 1s9a s ASP 124 N 1.46 7.24 -0.06 3.58 1.11 0.17 -0.62 116.67 129.56 1s9a s ASP 124 Ca -0.01 2.08 0.02 0.00 0.18 0.00 0.00 52.55 54.82 1s9a s ASP 124 Cb -0.20 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.20 1s9a s ASP 124 CO 0.01 -0.25 -0.10 0.68 1.18 0.00 0.00 175.17 176.70 1s9a s VAL 125 N -0.10 0.92 0.05 -1.27 -7.23 0.00 -1.73 120.40 111.05 1s9a s VAL 125 Ca 0.50 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 60.34 1s9a s VAL 125 Cb -0.29 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 1s9a s VAL 125 CO 0.34 0.31 -0.09 -1.66 -0.31 0.00 0.00 175.10 173.69 1s9a s TRP 126 N 0.70 0.79 0.23 2.82 -2.14 -1.15 -1.25 118.94 118.95 1s9a s TRP 126 Ca -0.13 -0.52 -0.22 0.00 2.66 0.00 0.00 56.10 57.89 1s9a s TRP 126 Cb -0.15 -0.47 0.04 0.00 -3.10 0.00 0.00 33.47 29.79 1s9a s TRP 126 CO 0.02 -0.06 0.73 -3.38 -2.66 0.00 0.00 176.95 171.61 1s9a s HIS 127 N -1.50 -0.26 0.56 1.66 -3.43 -1.05 -1.38 115.29 109.89 1s9a s HIS 127 Ca -0.07 -0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 53.91 1s9a s HIS 127 Cb -0.09 0.66 -0.05 0.00 -1.43 0.00 0.00 32.58 31.67 1s9a s HIS 127 CO 0.00 -1.09 1.04 -1.54 -2.00 0.00 0.00 174.74 171.16 1s9a s SER 128 N -2.87 6.04 0.94 7.38 1.04 -1.26 -4.81 113.70 120.15 1s9a s SER 128 Ca 0.09 1.79 -0.11 0.00 0.48 0.00 0.00 55.95 58.20 1s9a s SER 128 Cb -0.04 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.70 1s9a s SER 128 CO 0.02 -0.99 1.09 0.42 0.98 0.00 0.00 173.24 174.76 1s9a s THR 129 N -2.39 2.50 0.49 2.02 -4.23 0.54 -4.85 115.64 109.71 1s9a s THR 129 Ca 0.63 0.16 0.21 0.00 -1.18 0.00 0.00 61.69 61.52 1s9a s THR 129 Cb -0.15 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.57 1s9a s THR 129 CO 0.33 -0.21 1.98 0.78 -0.54 0.00 0.00 174.62 176.96 1s9a h ASN 130 N -1.76 0.15 0.29 3.99 2.35 -1.90 0.31 115.58 119.00 1s9a h ASN 130 Ca -0.50 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1s9a h ASN 130 Cb 1.29 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1s9a h ASN 130 CO 0.51 0.08 0.00 0.47 -1.65 0.00 0.00 177.43 176.84 1s9a n ASP 131 N -4.42 0.00 -0.72 5.81 8.00 -1.26 -4.85 116.55 119.10 1s9a n ASP 131 Ca 0.10 0.37 -0.03 0.00 0.71 0.00 0.00 54.79 55.94 1s9a n ASP 131 Cb 0.53 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 41.22 1s9a n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s9a n GLY 132 N -0.46 0.53 3.28 0.44 0.00 0.11 -4.94 105.19 104.14 1s9a n GLY 132 Ca 0.03 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1s9a n GLY 132 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s9a s ASN 133 N -2.97 2.58 -0.10 1.61 0.01 -1.24 -4.78 114.94 110.04 1s9a s ASN 133 Ca 0.05 -0.62 -0.01 0.00 -0.71 0.00 0.00 52.86 51.58 1s9a s ASN 133 Cb -0.02 -0.18 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 1s9a s ASN 133 CO 0.07 0.12 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.39 1s9a s TYR 134 N -0.99 2.94 0.49 2.20 1.51 -1.26 -0.34 117.35 121.90 1s9a s TYR 134 Ca 0.07 -0.17 -0.23 0.00 -1.01 0.00 0.00 57.07 55.74 1s9a s TYR 134 Cb -0.09 -1.80 -0.06 0.00 -0.11 0.00 0.00 41.96 39.89 1s9a s TYR 134 CO 0.03 0.15 1.28 -1.54 -1.11 0.00 0.00 175.55 174.36 1s9a s SER 135 N -0.31 5.78 0.00 2.29 1.04 -1.26 -1.82 113.70 119.43 1s9a s SER 135 Ca 0.04 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.05 1s9a s SER 135 Cb -0.13 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1s9a s SER 135 CO 0.02 -1.20 0.00 0.49 0.98 0.00 0.00 173.24 173.53 1s9a n PHE 136 N -0.63 0.00 -1.90 5.02 3.72 -1.19 -4.82 117.46 117.67 1s9a n PHE 136 Ca 0.08 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.51 1s9a n PHE 136 Cb 0.46 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.05 1s9a n PHE 136 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1s9a n PHE 137 N -2.00 0.00 -3.82 1.38 3.72 -0.75 -4.97 117.46 111.02 1s9a n PHE 137 Ca 0.00 -0.44 -0.12 0.00 -0.05 0.00 0.00 57.45 56.83 1s9a n PHE 137 Cb 0.00 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.31 1s9a n PHE 137 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1s9a s SER 138 N -1.79 -0.16 0.35 4.37 0.15 -1.18 -4.73 113.70 110.70 1s9a s SER 138 Ca 0.17 0.29 0.27 0.00 0.70 0.00 0.00 55.95 57.38 1s9a s SER 138 Cb 0.18 0.35 1.16 0.00 -1.71 0.00 0.00 66.02 66.00 1s9a s SER 138 CO -0.04 -0.11 1.80 -0.65 1.20 0.00 0.00 173.24 175.44 1s9a h PRO 139 N 5.60 0.00 -0.01 5.44 0.11 -1.96 -2.92 132.00 138.27 1s9a h PRO 139 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1s9a h PRO 139 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s9a h PRO 139 CO 0.39 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.18 1s9a n ALA 140 N -1.86 2.63 -2.80 -0.75 0.00 -1.26 -4.88 120.51 111.58 1s9a n ALA 140 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1s9a n ALA 140 Cb 0.22 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 1s9a n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s9a s LEU 141 N -2.03 2.26 0.63 0.00 1.43 -1.10 -5.15 118.68 114.73 1s9a s LEU 141 Ca 0.41 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1s9a s LEU 141 Cb 0.21 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 1s9a s LEU 141 CO 0.35 -0.15 1.10 -2.84 0.23 0.00 0.00 176.35 175.04 1s9a s PRO 142 N -1.64 2.96 -1.43 1.29 0.02 -1.26 -4.63 135.00 130.31 1s9a s PRO 142 Ca -0.07 1.39 -0.14 0.00 0.02 0.00 0.00 61.00 62.20 1s9a s PRO 142 Cb -0.10 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.47 1s9a s PRO 142 CO 0.01 -1.12 2.26 -0.25 -0.33 0.00 0.00 177.00 177.57 1s9a n ASP 143 N -2.21 4.12 -4.01 2.53 8.00 -1.26 -3.15 116.55 120.57 1s9a n ASP 143 Ca 0.10 -2.81 -0.08 0.00 0.71 0.00 0.00 54.79 52.71 1s9a n ASP 143 Cb 0.52 -1.62 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 1s9a n ASP 143 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1s9a s GLN 144 N 3.24 0.56 -0.80 -1.24 -1.52 -1.26 -4.90 119.66 113.73 1s9a s GLN 144 Ca 0.49 -0.95 -0.25 0.00 -1.95 0.00 0.00 55.36 52.70 1s9a s GLN 144 Cb 0.14 0.20 -0.02 0.00 -0.22 0.00 0.00 33.01 33.11 1s9a s GLN 144 CO -0.08 -0.12 1.82 0.71 -0.25 0.00 0.00 175.29 177.38 1s9a s TYR 145 N -3.06 1.86 -0.13 0.91 1.51 -1.26 -4.52 117.35 112.66 1s9a s TYR 145 Ca -0.01 0.48 0.03 0.00 -1.01 0.00 0.00 57.07 56.56 1s9a s TYR 145 Cb 0.02 -4.17 0.01 0.00 -0.11 0.00 0.00 41.96 37.70 1s9a s TYR 145 CO -0.07 -1.98 -0.22 -0.51 -1.11 0.00 0.00 175.55 171.66 1s9a s LEU 146 N 8.91 2.13 -1.50 -1.29 1.02 -1.26 -4.63 118.68 122.06 1s9a s LEU 146 Ca 0.64 -0.59 -0.11 0.00 0.02 0.00 0.00 54.13 54.09 1s9a s LEU 146 Cb -0.08 -1.45 0.07 0.00 0.02 0.00 0.00 46.19 44.75 1s9a s LEU 146 CO 0.07 0.09 0.88 0.18 0.02 0.00 0.00 176.35 177.59 1s9a n LEU 147 N 3.97 -2.55 -3.83 1.79 4.77 0.59 -4.44 117.00 117.30 1s9a n LEU 147 Ca -0.20 -0.82 -0.12 0.00 -0.03 0.00 0.00 56.01 54.84 1s9a n LEU 147 Cb 0.52 -2.51 -0.11 0.00 -2.33 0.00 0.00 43.42 38.98 1s9a n LEU 147 CO 0.27 0.44 -0.16 -0.13 -1.33 0.00 0.00 177.39 176.48 1s9a s ARG 148 N -6.53 0.30 0.00 3.23 0.52 -1.26 -2.51 118.95 112.70 1s9a s ARG 148 Ca 0.51 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1s9a s ARG 148 Cb -0.26 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.35 1s9a s ARG 148 CO 0.84 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.51 1s9a n GLY 149 N 2.48 1.04 3.82 -3.53 0.00 -0.38 -4.42 105.19 104.19 1s9a n GLY 149 Ca -0.16 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1s9a n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s9a s ARG 150 N -2.00 3.44 -0.02 1.61 0.52 -0.21 -0.82 118.95 121.47 1s9a s ARG 150 Ca 0.00 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1s9a s ARG 150 Cb 0.00 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1s9a s ARG 150 CO 0.00 0.71 -0.17 0.08 0.02 0.00 0.00 175.30 175.93 1s9a s VAL 151 N -0.83 1.38 0.02 3.52 1.01 0.21 -0.49 120.40 125.22 1s9a s VAL 151 Ca 0.14 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1s9a s VAL 151 Cb -0.12 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1s9a s VAL 151 CO 0.03 0.39 -0.21 0.68 0.00 0.00 0.00 175.10 175.99 1s9a s VAL 152 N -0.27 2.51 0.74 2.92 -7.23 -1.26 -1.14 120.40 116.67 1s9a s VAL 152 Ca 0.04 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 1s9a s VAL 152 Cb -0.08 -1.99 0.04 0.00 0.56 0.00 0.00 36.38 34.91 1s9a s VAL 152 CO 0.00 0.42 1.10 -2.16 -0.31 0.00 0.00 175.10 174.15 1s9a s PRO 153 N -1.14 2.37 0.93 4.82 0.04 -1.26 -4.83 135.00 135.93 1s9a s PRO 153 Ca 0.13 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 1s9a s PRO 153 Cb -0.10 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1s9a s PRO 153 CO 0.03 -1.56 1.16 0.00 0.04 0.00 0.00 177.00 176.66 1s9a s ALA 154 N -2.72 1.78 0.56 8.56 0.00 0.48 -4.85 121.76 125.58 1s9a s ALA 154 Ca 0.63 -0.64 0.27 0.00 0.00 0.00 0.00 51.96 52.22 1s9a s ALA 154 Cb -0.18 -2.99 1.49 0.00 0.00 0.00 0.00 23.12 21.44 1s9a s ALA 154 CO 0.52 -2.37 2.01 1.49 0.00 0.00 0.00 175.76 177.40 1s9a h GLU 155 N -1.57 0.00 -0.01 0.00 4.81 -1.95 0.14 114.58 116.01 1s9a h GLU 155 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1s9a h GLU 155 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1s9a h GLU 155 CO 0.58 0.00 -0.14 -0.40 -0.73 0.00 0.00 179.01 178.32 1s9a n ASP 156 N -4.04 0.77 0.00 1.04 3.85 -1.26 -4.89 116.55 112.01 1s9a n ASP 156 Ca 0.07 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.32 1s9a n ASP 156 Cb 0.53 0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 1s9a n ASP 156 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s9a n GLY 157 N 1.27 0.28 3.78 6.12 0.00 0.50 -4.85 105.19 112.30 1s9a n GLY 157 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1s9a n GLY 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s9a s SER 158 N -2.24 6.46 0.25 1.61 1.04 -1.26 -2.09 113.70 117.47 1s9a s SER 158 Ca 0.00 2.20 0.10 0.00 0.48 0.00 0.00 55.95 58.73 1s9a s SER 158 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1s9a s SER 158 CO 0.00 -0.71 -0.16 0.27 0.98 0.00 0.00 173.24 173.62 1s9a s ILE 159 N -1.57 2.09 -0.29 -1.02 -4.36 0.34 -0.39 121.20 115.99 1s9a s ILE 159 Ca 0.60 -2.30 -0.16 0.00 -0.26 0.00 0.00 60.65 58.54 1s9a s ILE 159 Cb -0.26 -2.21 0.16 0.00 1.25 0.00 0.00 42.46 41.40 1s9a s ILE 159 CO 0.32 -0.47 1.01 -0.70 0.24 0.00 0.00 174.94 175.34 1s9a s GLU 160 N -3.59 0.31 0.12 0.37 2.12 -1.26 -1.88 118.70 114.90 1s9a s GLU 160 Ca 0.27 0.64 -0.05 0.00 0.36 0.00 0.00 54.97 56.19 1s9a s GLU 160 Cb -0.02 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 1s9a s GLU 160 CO 0.11 -0.08 0.14 -0.59 -0.54 0.00 0.00 175.26 174.30 1s9a s PHE 161 N 1.83 0.53 0.04 5.30 -0.71 -0.68 -4.47 117.98 119.82 1s9a s PHE 161 Ca -0.06 -0.93 0.08 0.00 -1.04 0.00 0.00 56.93 54.98 1s9a s PHE 161 Cb -0.05 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.49 1s9a s PHE 161 CO -0.16 -0.57 -0.20 -1.01 -1.34 0.00 0.00 175.22 171.94 1s9a s HIS 162 N -3.97 2.49 0.00 3.49 3.76 -0.55 -0.66 115.29 119.85 1s9a s HIS 162 Ca 0.16 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1s9a s HIS 162 Cb 0.06 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.31 1s9a s HIS 162 CO -0.03 0.22 0.00 0.45 -0.85 0.00 0.00 174.74 174.53 1s9a n SER 163 N 1.60 0.00 -4.86 1.40 2.88 -0.58 -2.00 113.62 112.07 1s9a n SER 163 Ca -0.16 -0.99 -0.34 0.00 -1.33 0.00 0.00 58.87 56.06 1s9a n SER 163 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1s9a n SER 163 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1s9a s ILE 164 N -2.89 4.85 0.10 2.46 -0.00 -1.26 0.92 121.20 125.39 1s9a s ILE 164 Ca 0.00 0.71 -0.31 0.00 -0.00 0.00 0.00 60.65 61.05 1s9a s ILE 164 Cb 0.00 -3.67 -0.08 0.00 -0.00 0.00 0.00 42.46 38.71 1s9a s ILE 164 CO 0.00 0.05 1.41 -0.60 -0.00 0.00 0.00 174.94 175.81 1s9a s ARG 165 N -2.45 4.31 0.55 0.37 3.52 0.59 -4.71 118.95 121.12 1s9a s ARG 165 Ca 0.44 2.09 -0.19 0.00 -0.13 0.00 0.00 55.73 57.94 1s9a s ARG 165 Cb -0.13 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.92 1s9a s ARG 165 CO 0.20 -0.47 1.12 -2.14 -0.81 0.00 0.00 175.30 173.20 1s9a s PRO 166 N 1.29 3.34 0.32 5.12 0.02 -1.26 -4.64 135.00 139.19 1s9a s PRO 166 Ca 0.65 1.58 0.09 0.00 0.02 0.00 0.00 61.00 63.34 1s9a s PRO 166 Cb -0.37 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.08 1s9a s PRO 166 CO 0.30 -0.86 -0.10 0.14 -0.33 0.00 0.00 177.00 176.16 1s9a s VAL 167 N -1.83 2.12 0.93 3.83 -7.23 -1.26 -4.73 120.40 112.23 1s9a s VAL 167 Ca 0.72 -2.21 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 1s9a s VAL 167 Cb -0.23 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1s9a s VAL 167 CO 0.28 -0.25 0.45 -2.65 -0.31 0.00 0.00 175.10 172.62 1s9a n PRO 168 N -0.72 -0.25 -3.88 4.82 -0.02 -1.26 -4.23 135.00 129.46 1s9a n PRO 168 Ca -0.05 -0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.31 1s9a n PRO 168 Cb 0.63 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 1s9a n PRO 168 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1s9a s TYR 169 N -2.37 0.23 -0.06 6.00 -0.85 -0.88 -4.82 117.35 114.60 1s9a s TYR 169 Ca 0.58 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.57 1s9a s TYR 169 Cb -0.22 0.04 -0.00 0.00 0.38 0.00 0.00 41.96 42.15 1s9a s TYR 169 CO 0.66 -0.72 -0.19 -1.83 -1.52 0.00 0.00 175.55 171.95 1s9a s GLU 170 N -3.92 2.21 0.14 -3.49 -1.05 -1.26 -0.49 118.70 110.84 1s9a s GLU 170 Ca 0.13 -0.69 -0.33 0.00 -0.15 0.00 0.00 54.97 53.92 1s9a s GLU 170 Cb 0.03 -1.82 -0.13 0.00 -0.44 0.00 0.00 34.13 31.77 1s9a s GLU 170 CO -0.03 0.21 1.67 -0.89 0.95 0.00 0.00 175.26 177.17 1s9a n ILE 171 N 3.32 0.10 -1.02 1.83 5.41 0.12 -4.71 119.36 124.42 1s9a n ILE 171 Ca -0.19 -0.02 -0.48 0.00 1.00 0.00 0.00 62.75 63.06 1s9a n ILE 171 Cb 0.53 -1.73 -0.09 0.00 -0.71 0.00 0.00 39.64 37.64 1s9a n ILE 171 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1s9a n PRO 172 N 4.12 0.00 0.15 0.38 -0.02 -1.26 -4.69 135.00 133.68 1s9a n PRO 172 Ca 0.17 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1s9a n PRO 172 Cb 0.31 -1.19 0.78 0.00 -0.02 0.00 0.00 33.50 33.38 1s9a n PRO 172 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s9a h LYS 173 N 6.98 0.00 0.00 -0.52 1.57 -1.88 -2.76 116.57 119.97 1s9a h LYS 173 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1s9a h LYS 173 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1s9a h LYS 173 CO 0.86 0.00 -0.91 0.00 -0.57 0.00 0.00 179.45 178.84 1s9a h ALA 174 N 1.62 0.54 -2.35 3.86 0.00 -1.89 -2.85 119.26 118.20 1s9a h ALA 174 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.55 1s9a h ALA 174 Cb 0.80 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.71 1s9a h ALA 174 CO -0.00 0.00 0.33 0.20 0.00 0.00 0.00 179.25 179.78 1s9a s GLY 175 N -4.34 1.65 0.45 0.00 0.00 -1.04 -4.73 107.32 99.31 1s9a s GLY 175 Ca 0.00 0.06 0.21 0.00 0.00 0.00 0.00 44.72 44.99 1s9a s GLY 175 CO 0.78 0.42 1.87 -2.55 0.00 0.00 0.00 173.10 173.62 1s9a h PRO 176 N -1.02 0.27 0.26 2.90 0.11 -1.90 0.32 132.00 132.94 1s9a h PRO 176 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1s9a h PRO 176 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s9a h PRO 176 CO 0.55 0.18 -0.13 1.15 -0.21 0.00 0.00 178.00 179.55 1s9a h THR 177 N 0.28 0.76 -0.67 -1.15 2.02 -1.92 -2.01 112.91 110.21 1s9a h THR 177 Ca 0.45 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 67.01 1s9a h THR 177 Cb 1.30 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 1s9a h THR 177 CO -0.13 0.14 0.35 1.23 0.37 0.00 0.00 175.52 177.48 1s9a h GLY 178 N -0.75 0.99 0.44 2.16 0.00 -1.17 -0.66 103.07 104.09 1s9a h GLY 178 Ca -0.04 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.10 1s9a h GLY 178 CO 0.06 0.10 -0.19 1.46 0.00 0.00 0.00 176.54 177.97 1s9a h GLN 179 N 0.63 -0.26 0.10 4.80 4.20 -0.18 0.21 115.11 124.61 1s9a h GLN 179 Ca 0.32 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.06 1s9a h GLN 179 Cb 0.27 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1s9a h GLN 179 CO -0.22 -0.17 -0.18 1.25 -0.67 0.00 0.00 178.83 178.84 1s9a h LEU 180 N -0.27 -0.49 -1.27 1.46 5.85 -0.69 -0.03 115.31 119.88 1s9a h LEU 180 Ca 0.08 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1s9a h LEU 180 Cb 0.39 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1s9a h LEU 180 CO -0.24 -0.25 0.17 0.24 -0.34 0.00 0.00 178.44 178.02 1s9a h MET 181 N -0.34 0.68 0.00 1.25 2.86 -1.04 -0.75 114.93 117.60 1s9a h MET 181 Ca 0.02 -0.10 -0.29 0.00 -2.06 0.00 0.00 59.70 57.28 1s9a h MET 181 Cb 0.36 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1s9a h MET 181 CO -0.10 0.57 -1.83 0.09 1.06 0.00 0.00 176.91 176.71 1s9a n ASN 182 N -4.34 1.92 0.00 1.22 3.02 0.74 -1.51 115.26 116.31 1s9a n ASN 182 Ca 0.03 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1s9a n ASN 182 Cb 0.16 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1s9a n ASN 182 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1s9a n SER 183 N -4.36 0.00 -0.34 6.41 7.64 -0.06 -2.99 113.62 119.93 1s9a n SER 183 Ca -0.38 0.17 0.23 0.00 1.01 0.00 0.00 58.87 59.90 1s9a n SER 183 Cb 0.72 -0.17 0.50 0.00 -1.01 0.00 0.00 64.21 64.25 1s9a n SER 183 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1s9a h TYR 184 N 0.00 0.72 0.00 1.43 0.05 -1.53 -1.65 116.97 115.99 1s9a h TYR 184 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1s9a h TYR 184 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1s9a h TYR 184 CO 0.00 0.02 -1.79 1.28 -1.05 0.00 0.00 178.16 176.62 1s9a n LEU 185 N -4.70 0.14 -1.02 3.88 4.77 -0.29 -4.99 117.00 114.79 1s9a n LEU 185 Ca 0.27 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1s9a n LEU 185 Cb 0.92 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 1s9a n LEU 185 CO 0.22 0.03 -0.12 0.61 -1.33 0.00 0.00 177.39 176.81 1s9a n GLY 186 N 1.36 0.25 0.00 -0.72 0.00 -0.62 -5.00 105.19 100.45 1s9a n GLY 186 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1s9a n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9a n ARG 187 N -2.12 3.60 -4.39 1.61 1.74 -0.57 -5.02 116.66 111.51 1s9a n ARG 187 Ca -0.11 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.68 1s9a n ARG 187 Cb 0.52 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.90 1s9a n ARG 187 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1s9a s HIS 188 N 1.55 2.00 -0.28 -1.55 -3.43 -1.25 -4.16 115.29 108.17 1s9a s HIS 188 Ca 0.00 -0.83 0.07 0.00 -0.80 0.00 0.00 55.06 53.51 1s9a s HIS 188 Cb 0.00 -1.78 0.46 0.00 -1.43 0.00 0.00 32.58 29.83 1s9a s HIS 188 CO 0.00 0.05 1.19 -1.13 -2.00 0.00 0.00 174.74 172.85 1s9a n SER 189 N -1.37 4.70 -4.89 7.38 3.41 -1.26 -4.67 113.62 116.92 1s9a n SER 189 Ca -0.10 -3.76 -0.35 0.00 -0.26 0.00 0.00 58.87 54.41 1s9a n SER 189 Cb 0.66 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1s9a n SER 189 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1s9a s TRP 190 N -3.57 3.58 0.05 7.33 0.52 -1.26 0.14 118.94 125.72 1s9a s TRP 190 Ca 0.50 0.52 0.07 0.00 0.02 0.00 0.00 56.10 57.21 1s9a s TRP 190 Cb 0.41 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1s9a s TRP 190 CO 0.03 0.64 -0.17 1.03 0.02 0.00 0.00 176.95 178.51 1s9a s ARG 191 N -1.66 2.07 0.82 4.98 0.52 0.36 -1.00 118.95 125.04 1s9a s ARG 191 Ca 0.25 -0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 54.35 1s9a s ARG 191 Cb -0.13 -2.20 0.09 0.00 0.52 0.00 0.00 34.95 33.23 1s9a s ARG 191 CO 0.15 0.54 1.16 -1.25 0.02 0.00 0.00 175.30 175.91 1s9a s PRO 192 N -1.54 1.68 0.38 3.54 0.04 -1.26 -2.07 135.00 135.76 1s9a s PRO 192 Ca 0.15 1.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 1s9a s PRO 192 Cb -0.11 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1s9a s PRO 192 CO 0.06 -2.14 1.41 0.00 0.04 0.00 0.00 177.00 176.37 1s9a n ALA 193 N -3.54 1.93 -3.51 8.56 0.00 -1.26 -4.66 120.51 118.04 1s9a n ALA 193 Ca 0.12 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1s9a n ALA 193 Cb 0.52 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 1s9a n ALA 193 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1s9a s HIS 194 N -1.13 -0.65 -0.24 0.00 -3.43 -1.26 -4.18 115.29 104.41 1s9a s HIS 194 Ca 0.55 1.45 -0.18 0.00 -0.80 0.00 0.00 55.06 56.08 1s9a s HIS 194 Cb -0.50 0.27 -0.03 0.00 -1.43 0.00 0.00 32.58 30.89 1s9a s HIS 194 CO 0.62 -0.41 0.50 0.42 -2.00 0.00 0.00 174.74 173.87 1s9a s ILE 195 N -0.19 5.10 0.37 -5.38 1.01 -0.84 -4.61 121.20 116.66 1s9a s ILE 195 Ca -0.04 0.87 -0.25 0.00 0.00 0.00 0.00 60.65 61.23 1s9a s ILE 195 Cb -0.03 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 1s9a s ILE 195 CO 0.04 0.13 1.01 -1.00 0.00 0.00 0.00 174.94 175.12 1s9a s HIS 196 N 1.99 3.42 -0.02 3.97 3.76 -0.48 -0.16 115.29 127.77 1s9a s HIS 196 Ca 0.21 1.69 0.01 0.00 -0.15 0.00 0.00 55.06 56.82 1s9a s HIS 196 Cb -0.15 -3.04 0.01 0.00 1.11 0.00 0.00 32.58 30.51 1s9a s HIS 196 CO 0.09 -0.30 -0.03 0.42 -0.85 0.00 0.00 174.74 174.07 1s9a s ILE 197 N -1.68 0.37 -0.09 0.60 -1.09 0.14 -2.95 121.20 116.50 1s9a s ILE 197 Ca 0.55 -0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 1s9a s ILE 197 Cb -0.20 -0.37 0.01 0.00 -1.58 0.00 0.00 42.46 40.32 1s9a s ILE 197 CO 0.25 0.15 -0.14 -0.60 -1.23 0.00 0.00 174.94 173.37 1s9a s ARG 198 N 0.47 2.00 -0.11 2.79 3.52 -0.70 -0.15 118.95 126.78 1s9a s ARG 198 Ca -0.05 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 1s9a s ARG 198 Cb -0.09 -1.69 -0.00 0.00 -1.56 0.00 0.00 34.95 31.61 1s9a s ARG 198 CO -0.00 -0.02 -0.21 0.42 -0.81 0.00 0.00 175.30 174.68 1s9a s ILE 199 N 0.85 2.35 0.11 4.11 1.01 0.14 0.45 121.20 130.23 1s9a s ILE 199 Ca -0.10 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.72 1s9a s ILE 199 Cb -0.15 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1s9a s ILE 199 CO 0.01 0.55 -0.21 0.42 0.00 0.00 0.00 174.94 175.71 1s9a s THR 200 N 0.37 1.77 -0.21 2.92 -4.23 -0.98 -0.27 115.64 115.01 1s9a s THR 200 Ca -0.16 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 58.60 1s9a s THR 200 Cb -0.17 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 72.09 1s9a s THR 200 CO 0.08 -0.09 0.53 0.00 -0.54 0.00 0.00 174.62 174.60 1s9a s ALA 201 N -1.30 -1.39 -0.32 3.99 0.00 -1.26 -1.28 121.76 120.20 1s9a s ALA 201 Ca 0.09 1.85 -0.42 0.00 0.00 0.00 0.00 51.96 53.47 1s9a s ALA 201 Cb -0.09 -1.10 -0.17 0.00 0.00 0.00 0.00 23.12 21.76 1s9a s ALA 201 CO 0.05 -0.30 1.67 -0.25 0.00 0.00 0.00 175.76 176.92 1s9a n ASP 202 N 4.05 1.95 0.00 0.00 10.43 -1.26 -0.64 116.55 131.08 1s9a n ASP 202 Ca -0.21 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.27 1s9a n ASP 202 Cb 0.57 -1.06 0.00 0.00 1.84 0.00 0.00 41.12 42.47 1s9a n ASP 202 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s9a n GLY 203 N 3.99 1.46 3.28 0.44 0.00 -1.26 -5.04 105.19 108.06 1s9a n GLY 203 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1s9a n GLY 203 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s9a s TYR 204 N -2.27 1.88 0.24 1.61 1.51 0.19 0.26 117.35 120.77 1s9a s TYR 204 Ca 0.00 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1s9a s TYR 204 Cb 0.00 -1.08 -0.10 0.00 -0.11 0.00 0.00 41.96 40.67 1s9a s TYR 204 CO 0.00 0.15 1.49 1.03 -1.11 0.00 0.00 175.55 177.12 1s9a s ARG 205 N -1.51 4.23 0.59 -0.62 0.52 0.22 -4.41 118.95 117.97 1s9a s ARG 205 Ca 0.08 2.36 -0.19 0.00 -0.52 0.00 0.00 55.73 57.46 1s9a s ARG 205 Cb -0.09 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1s9a s ARG 205 CO 0.03 -0.50 1.15 -0.35 0.02 0.00 0.00 175.30 175.66 1s9a n PRO 206 N 2.64 1.18 -4.22 3.54 -0.04 -1.26 -4.53 135.00 132.31 1s9a n PRO 206 Ca 0.08 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.66 1s9a n PRO 206 Cb 0.39 -2.36 -0.16 0.00 -0.04 0.00 0.00 33.50 31.33 1s9a n PRO 206 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s9a s LEU 207 N -2.91 2.15 -0.19 1.53 0.20 0.63 -4.97 118.68 115.11 1s9a s LEU 207 Ca 0.76 -0.63 -0.03 0.00 0.69 0.00 0.00 54.13 54.91 1s9a s LEU 207 Cb -0.42 -1.48 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 1s9a s LEU 207 CO 0.46 0.01 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.85 1s9a s ILE 208 N 1.21 3.45 0.36 6.68 1.01 -1.26 0.29 121.20 132.93 1s9a s ILE 208 Ca 0.03 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1s9a s ILE 208 Cb -0.13 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.83 1s9a s ILE 208 CO -0.11 0.46 0.60 1.07 0.00 0.00 0.00 174.94 176.95 1s9a n THR 209 N 4.28 0.00 -4.00 2.92 5.66 0.79 -1.62 114.28 122.31 1s9a n THR 209 Ca -0.18 -1.43 -0.12 0.00 -3.05 0.00 0.00 64.05 59.27 1s9a n THR 209 Cb 0.52 1.03 -0.12 0.00 -1.55 0.00 0.00 70.33 70.20 1s9a n THR 209 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1s9a s GLN 210 N -2.50 0.30 -0.18 1.09 -0.21 -1.26 0.25 119.66 117.14 1s9a s GLN 210 Ca 0.23 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 1s9a s GLN 210 Cb -0.02 -0.08 -0.00 0.00 1.00 0.00 0.00 33.01 33.91 1s9a s GLN 210 CO 0.17 0.01 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.71 1s9a s LEU 211 N -0.94 2.58 0.43 2.90 1.02 0.78 -4.87 118.68 120.58 1s9a s LEU 211 Ca -0.08 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 53.68 1s9a s LEU 211 Cb -0.06 -1.61 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 1s9a s LEU 211 CO -0.00 0.04 0.35 -0.31 0.02 0.00 0.00 176.35 176.45 1s9a s TYR 212 N 1.06 2.57 -0.09 0.29 2.02 0.44 -1.99 117.35 121.65 1s9a s TYR 212 Ca -0.00 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1s9a s TYR 212 Cb -0.15 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1s9a s TYR 212 CO -0.03 -0.11 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.58 1s9a s PHE 213 N -2.53 2.60 0.16 2.71 0.40 -1.26 -0.56 117.98 119.50 1s9a s PHE 213 Ca 0.46 -0.82 -0.34 0.00 -0.60 0.00 0.00 56.93 55.63 1s9a s PHE 213 Cb -0.02 -1.71 -0.16 0.00 0.51 0.00 0.00 43.02 41.64 1s9a s PHE 213 CO 0.26 -0.28 1.20 0.39 0.70 0.00 0.00 175.22 177.49 1s9a n GLU 214 N 3.31 1.17 0.00 0.44 1.02 -0.46 -2.26 120.64 123.86 1s9a n GLU 214 Ca -0.18 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1s9a n GLU 214 Cb 0.53 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1s9a n GLU 214 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s9a n GLY 215 N 2.12 2.67 3.59 0.62 0.00 -1.26 -4.91 105.19 108.02 1s9a n GLY 215 Ca 0.16 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.56 1s9a n GLY 215 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s9a n ASP 216 N 0.00 0.56 0.30 1.61 2.03 -0.96 -4.80 116.55 115.30 1s9a n ASP 216 Ca 0.00 1.16 0.19 0.00 0.52 0.00 0.00 54.79 56.66 1s9a n ASP 216 Cb 0.00 -0.93 1.01 0.00 -0.72 0.00 0.00 41.12 40.48 1s9a n ASP 216 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1s9a h PRO 217 N 3.88 0.00 -0.32 -0.67 0.13 -1.94 -2.30 132.00 130.79 1s9a h PRO 217 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s9a h PRO 217 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1s9a h PRO 217 CO 0.78 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.21 1s9a n TYR 218 N -3.27 0.42 -0.25 1.56 4.02 -1.26 -4.62 117.16 113.76 1s9a n TYR 218 Ca -0.02 -0.43 0.16 0.00 -0.01 0.00 0.00 57.90 57.61 1s9a n TYR 218 Cb 0.21 -0.02 0.47 0.00 -0.02 0.00 0.00 39.34 39.97 1s9a n TYR 218 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1s9a h LEU 219 N 2.16 0.49 -3.39 7.72 5.85 -1.77 0.33 115.31 126.70 1s9a h LEU 219 Ca 0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1s9a h LEU 219 Cb 0.71 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1s9a h LEU 219 CO 0.00 0.21 0.03 0.47 -0.34 0.00 0.00 178.44 178.81 1s9a n ASP 220 N -4.54 4.28 -1.62 1.25 8.00 -1.26 -4.58 116.55 118.09 1s9a n ASP 220 Ca 0.18 -3.08 0.01 0.00 0.71 0.00 0.00 54.79 52.61 1s9a n ASP 220 Cb 0.61 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1s9a n ASP 220 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1s9a n SER 221 N -0.28 0.57 -4.67 -2.24 2.88 0.11 -5.10 113.62 104.89 1s9a n SER 221 Ca 0.26 -2.01 -0.42 0.00 -1.33 0.00 0.00 58.87 55.37 1s9a n SER 221 Cb 1.03 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 1s9a n SER 221 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1s9a s ASP 222 N -1.99 6.47 0.35 -3.46 -1.08 -1.03 -4.84 116.67 111.08 1s9a s ASP 222 Ca 0.25 2.65 0.26 0.00 -0.52 0.00 0.00 52.55 55.19 1s9a s ASP 222 Cb 0.31 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.43 1s9a s ASP 222 CO -0.12 -1.03 1.78 0.77 0.52 0.00 0.00 175.17 177.10 1s9a h SER 223 N 10.01 0.00 -0.01 -0.34 4.64 -1.39 -2.66 113.55 123.80 1s9a h SER 223 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1s9a h SER 223 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1s9a h SER 223 CO 0.94 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 176.41 1s9a n SER 225 N -0.75 -3.55 -0.36 0.00 7.64 -1.00 -4.67 113.62 110.94 1s9a n SER 225 Ca 0.04 -0.09 0.04 0.00 1.01 0.00 0.00 58.87 59.87 1s9a n SER 225 Cb 0.27 -2.56 0.05 0.00 -1.01 0.00 0.00 64.21 60.96 1s9a n SER 225 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s9a n ALA 226 N -2.24 2.41 -2.14 -0.43 0.00 -1.26 -4.87 120.51 111.98 1s9a n ALA 226 Ca -0.07 -0.68 -0.32 0.00 0.00 0.00 0.00 53.44 52.36 1s9a n ALA 226 Cb 0.57 -0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 1s9a n ALA 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s9a s VAL 227 N -0.75 4.68 -0.03 0.00 -7.23 -1.26 -4.73 120.40 111.08 1s9a s VAL 227 Ca 0.11 0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 61.21 1s9a s VAL 227 Cb 0.07 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.43 1s9a s VAL 227 CO 0.11 -0.21 0.06 -0.54 -0.31 0.00 0.00 175.10 174.20 1s9a s LYS 228 N -3.05 -0.01 0.34 4.82 1.02 -1.26 -5.06 119.74 116.55 1s9a s LYS 228 Ca 0.54 0.24 0.08 0.00 0.02 0.00 0.00 55.97 56.85 1s9a s LYS 228 Cb -0.10 -0.24 0.78 0.00 -0.52 0.00 0.00 37.83 37.75 1s9a s LYS 228 CO 0.18 -0.17 1.86 0.66 -0.92 0.00 0.00 175.35 176.96 1s9a h SER 229 N 7.31 0.70 0.03 2.83 4.64 -1.98 -0.06 113.55 127.01 1s9a h SER 229 Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1s9a h SER 229 Cb 1.12 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1s9a h SER 229 CO 0.46 0.35 0.00 -1.84 -0.87 0.00 0.00 176.83 174.93 1s9a n GLU 230 N -4.58 0.87 -0.30 4.77 0.00 -1.26 -2.06 120.64 118.08 1s9a n GLU 230 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.42 1s9a n GLU 230 Cb 0.46 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.61 1s9a n GLU 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1s9a n LEU 231 N -1.01 3.33 -4.55 -1.84 4.77 -0.04 -4.95 117.00 112.70 1s9a n LEU 231 Ca 0.21 -2.83 -0.37 0.00 -0.03 0.00 0.00 56.01 53.00 1s9a n LEU 231 Cb 0.10 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 1s9a n LEU 231 CO 0.16 0.68 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.99 1s9a s VAL 232 N -2.47 4.84 -0.10 4.08 1.01 -0.87 -0.42 120.40 126.47 1s9a s VAL 232 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1s9a s VAL 232 Cb 0.28 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1s9a s VAL 232 CO 0.08 0.34 -0.07 -0.76 0.00 0.00 0.00 175.10 174.69 1s9a s LEU 233 N 1.36 3.12 0.39 3.92 1.02 0.27 -4.81 118.68 123.95 1s9a s LEU 233 Ca 0.06 -0.09 -0.26 0.00 0.02 0.00 0.00 54.13 53.86 1s9a s LEU 233 Cb -0.15 -1.70 -0.11 0.00 0.02 0.00 0.00 46.19 44.26 1s9a s LEU 233 CO 0.05 0.29 1.19 -2.65 0.02 0.00 0.00 176.35 175.26 1s9a n PRO 234 N 2.71 1.80 -4.58 1.29 -0.02 -1.26 -1.36 135.00 133.59 1s9a n PRO 234 Ca -0.18 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 1s9a n PRO 234 Cb 0.53 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 1s9a n PRO 234 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s9a s VAL 235 N -1.18 2.93 0.17 -1.45 1.01 -1.26 -4.66 120.40 115.97 1s9a s VAL 235 Ca 0.60 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1s9a s VAL 235 Cb -0.55 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1s9a s VAL 235 CO 0.59 0.51 0.14 0.20 0.00 0.00 0.00 175.10 176.54 1s9a s ASN 236 N 0.66 5.52 -0.27 3.32 -0.87 -0.79 -4.94 114.94 117.58 1s9a s ASN 236 Ca -0.07 -0.14 -0.02 0.00 -1.57 0.00 0.00 52.86 51.06 1s9a s ASN 236 Cb -0.15 -1.44 0.09 0.00 -0.02 0.00 0.00 41.25 39.72 1s9a s ASN 236 CO 0.02 0.06 0.08 -1.59 -2.57 0.00 0.00 177.10 173.10 1s9a s LYS 237 N -3.18 0.61 -0.41 -0.60 0.00 -1.26 0.63 119.74 115.53 1s9a s LYS 237 Ca 0.31 -0.78 0.02 0.00 0.00 0.00 0.00 55.97 55.53 1s9a s LYS 237 Cb -0.10 -1.88 0.12 0.00 0.00 0.00 0.00 37.83 35.97 1s9a s LYS 237 CO 0.24 -0.89 0.17 0.42 0.00 0.00 0.00 175.35 175.29 1s9a s ILE 238 N 1.78 1.72 0.03 3.79 -1.09 -1.16 -4.94 121.20 121.33 1s9a s ILE 238 Ca 0.06 -2.41 -0.19 0.00 -2.23 0.00 0.00 60.65 55.88 1s9a s ILE 238 Cb -0.17 -2.23 -0.10 0.00 -1.58 0.00 0.00 42.46 38.38 1s9a s ILE 238 CO -0.22 -0.76 0.46 0.47 -1.23 0.00 0.00 174.94 173.66 1s9a n ASP 239 N 3.89 -0.22 -4.20 3.58 10.43 -1.26 -4.51 116.55 124.27 1s9a n ASP 239 Ca 0.04 0.60 -0.29 0.00 2.57 0.00 0.00 54.79 57.71 1s9a n ASP 239 Cb 0.37 -0.48 -0.16 0.00 1.84 0.00 0.00 41.12 42.69 1s9a n ASP 239 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1s9a s ILE 240 N -0.17 1.80 0.00 0.53 1.01 -0.01 -4.95 121.20 119.40 1s9a s ILE 240 Ca 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1s9a s ILE 240 Cb -0.60 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1s9a s ILE 240 CO 0.29 0.50 0.00 -0.90 0.00 0.00 0.00 174.94 174.84 1s9a n ASP 241 N 3.19 0.00 -4.30 3.58 5.68 -1.26 -0.51 116.55 122.93 1s9a n ASP 241 Ca -0.18 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.76 1s9a n ASP 241 Cb 0.52 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.44 1s9a n ASP 241 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s9a n GLY 242 N 0.28 -0.28 3.43 6.12 0.00 -1.26 -4.93 105.19 108.55 1s9a n GLY 242 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1s9a n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9a s GLU 243 N -7.10 0.44 -0.12 1.61 2.02 0.33 -5.16 118.70 110.73 1s9a s GLU 243 Ca 0.39 1.22 -0.22 0.00 0.02 0.00 0.00 54.97 56.38 1s9a s GLU 243 Cb -0.22 0.57 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 1s9a s GLU 243 CO 0.97 -0.24 0.65 -0.08 0.02 0.00 0.00 175.26 176.58 1s9a s THR 244 N 2.75 5.06 -0.05 3.63 -1.32 -1.26 -0.83 115.64 123.61 1s9a s THR 244 Ca -0.03 1.29 0.05 0.00 -1.21 0.00 0.00 61.69 61.80 1s9a s THR 244 Cb -0.12 -3.98 -0.02 0.00 -1.51 0.00 0.00 72.50 66.87 1s9a s THR 244 CO -0.16 0.22 -0.19 0.26 -2.21 0.00 0.00 174.62 172.54 1s9a s TRP 245 N 1.13 2.55 -0.13 9.09 0.52 -1.26 -4.51 118.94 126.33 1s9a s TRP 245 Ca 0.33 -0.35 -0.23 0.00 0.02 0.00 0.00 56.10 55.87 1s9a s TRP 245 Cb -0.17 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1s9a s TRP 245 CO 0.14 0.04 0.73 -0.65 0.02 0.00 0.00 176.95 177.23 1s9a s GLN 246 N -0.56 4.34 -0.23 4.98 -1.52 -0.69 -2.96 119.66 123.02 1s9a s GLN 246 Ca 0.08 0.86 -0.06 0.00 -1.95 0.00 0.00 55.36 54.29 1s9a s GLN 246 Cb -0.11 -3.52 -0.02 0.00 -0.22 0.00 0.00 33.01 29.14 1s9a s GLN 246 CO 0.01 -0.14 0.03 -0.51 -0.25 0.00 0.00 175.29 174.43 1s9a s LEU 247 N 1.51 3.28 -0.01 2.90 1.43 0.20 -0.78 118.68 127.21 1s9a s LEU 247 Ca 0.36 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1s9a s LEU 247 Cb -0.17 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1s9a s LEU 247 CO 0.14 -0.01 -0.11 0.54 0.23 0.00 0.00 176.35 177.15 1s9a s VAL 248 N 1.44 0.88 -0.02 -1.59 0.11 -0.40 -1.88 120.40 118.94 1s9a s VAL 248 Ca 0.05 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1s9a s VAL 248 Cb -0.15 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1s9a s VAL 248 CO 0.02 0.25 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.39 1s9a s ASP 249 N -0.14 0.59 -0.15 3.54 -1.08 -1.26 -0.96 116.67 117.21 1s9a s ASP 249 Ca 0.02 -0.07 -0.11 0.00 -0.52 0.00 0.00 52.55 51.87 1s9a s ASP 249 Cb -0.06 -0.23 0.05 0.00 -1.46 0.00 0.00 42.92 41.22 1s9a s ASP 249 CO -0.00 -0.03 0.38 0.12 0.52 0.00 0.00 175.17 176.15 1s9a s PHE 250 N 0.59 -0.48 -0.32 -5.34 2.19 -0.33 -4.94 117.98 109.36 1s9a s PHE 250 Ca -0.07 1.10 -0.04 0.00 0.33 0.00 0.00 56.93 58.25 1s9a s PHE 250 Cb -0.10 0.18 0.04 0.00 -1.31 0.00 0.00 43.02 41.83 1s9a s PHE 250 CO -0.01 -0.26 0.05 -0.80 1.83 0.00 0.00 175.22 176.04 1s9a s ASN 251 N 0.80 5.09 0.04 6.13 0.01 -1.26 -2.27 114.94 123.48 1s9a s ASN 251 Ca -0.05 -1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 50.69 1s9a s ASN 251 Cb -0.06 -1.80 -0.05 0.00 0.41 0.00 0.00 41.25 39.75 1s9a s ASN 251 CO -0.06 -0.28 0.83 -0.36 -1.51 0.00 0.00 177.10 175.72 1s9a s PHE 252 N 1.35 3.72 -0.17 2.20 0.40 0.12 -4.92 117.98 120.68 1s9a s PHE 252 Ca -0.03 1.54 -0.01 0.00 -0.60 0.00 0.00 56.93 57.84 1s9a s PHE 252 Cb -0.19 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 1s9a s PHE 252 CO 0.01 0.20 -0.12 0.42 0.70 0.00 0.00 175.22 176.43 1s9a s ILE 253 N 0.20 2.93 0.17 0.64 1.01 -1.26 -0.29 121.20 124.61 1s9a s ILE 253 Ca 0.42 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1s9a s ILE 253 Cb -0.21 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1s9a s ILE 253 CO 0.24 0.49 0.28 -0.76 0.00 0.00 0.00 174.94 175.20 1s9a s LEU 254 N 0.90 4.25 -0.08 2.97 1.02 -0.13 -1.22 118.68 126.39 1s9a s LEU 254 Ca -0.03 0.10 -0.09 0.00 0.02 0.00 0.00 54.13 54.12 1s9a s LEU 254 Cb -0.15 -2.82 -0.05 0.00 0.02 0.00 0.00 46.19 43.20 1s9a s LEU 254 CO -0.01 0.03 0.23 -1.10 0.02 0.00 0.00 176.35 175.52 1s9a s GLN 255 N -3.39 3.59 0.75 1.70 -0.21 -1.26 -2.86 119.66 117.98 1s9a s GLN 255 Ca 0.34 0.04 -0.15 0.00 0.02 0.00 0.00 55.36 55.61 1s9a s GLN 255 Cb -0.10 -3.20 0.04 0.00 1.00 0.00 0.00 33.01 30.75 1s9a s GLN 255 CO 0.28 0.75 1.14 0.72 -2.12 0.00 0.00 175.29 176.06 1s9a n HIS 256 N 1.92 1.18 0.00 0.91 8.25 -1.26 -0.61 115.22 125.61 1s9a n HIS 256 Ca -0.18 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1s9a n HIS 256 Cb 0.54 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.52 1s9a n HIS 256 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07