#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9a n ASN 3 N 0.00 0.00 -0.28 0.00 4.13 -1.26 -0.23 115.26 117.62 1s9a n ASN 3 Ca 0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 1s9a n ASN 3 Cb 0.00 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.33 1s9a n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s9a h THR 4 N 0.00 1.15 -0.11 3.41 1.03 -2.06 -0.51 112.91 115.83 1s9a h THR 4 Ca 0.00 -0.34 -0.15 0.00 -0.01 0.00 0.00 66.41 65.91 1s9a h THR 4 Cb 0.00 0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 67.13 1s9a h THR 4 CO 0.00 0.18 -0.57 -0.09 -0.01 0.00 0.00 175.52 175.03 1s9a h ARG 5 N 1.00 0.33 0.00 0.00 9.65 -1.06 -2.36 114.38 121.95 1s9a h ARG 5 Ca 0.30 -0.21 -0.18 0.00 -1.10 0.00 0.00 59.98 58.79 1s9a h ARG 5 Cb -0.03 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1s9a h ARG 5 CO -0.10 0.81 -0.86 -0.39 2.80 0.00 0.00 179.97 182.23 1s9a h VAL 6 N 0.25 1.61 -0.18 0.20 -1.51 -0.65 -2.91 116.25 113.05 1s9a h VAL 6 Ca 0.00 -2.92 0.03 0.00 -1.23 0.00 0.00 66.70 62.58 1s9a h VAL 6 Cb 1.07 2.58 -0.03 0.00 -2.13 0.00 0.00 31.29 32.79 1s9a h VAL 6 CO 0.09 0.84 -0.01 0.40 -1.23 0.00 0.00 177.57 177.66 1s9a h ILE 7 N 0.01 0.86 0.71 7.19 2.04 -0.98 -0.48 117.51 126.86 1s9a h ILE 7 Ca -0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1s9a h ILE 7 Cb 1.52 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1s9a h ILE 7 CO 0.11 0.01 -0.34 -0.33 0.00 0.00 0.00 178.15 177.60 1s9a h GLU 8 N 0.04 -0.92 -0.67 2.37 4.39 -1.45 -2.24 114.58 116.10 1s9a h GLU 8 Ca 0.08 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1s9a h GLU 8 Cb 0.11 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1s9a h GLU 8 CO -0.15 -0.60 0.43 -0.07 -1.16 0.00 0.00 179.01 177.46 1s9a h LEU 9 N -1.01 0.73 -0.29 1.33 3.38 -1.56 -1.36 115.31 116.53 1s9a h LEU 9 Ca -0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1s9a h LEU 9 Cb 0.75 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1s9a h LEU 9 CO 0.16 0.52 -0.03 0.15 0.09 0.00 0.00 178.44 179.33 1s9a h PHE 10 N 0.87 0.58 -0.37 1.13 3.04 -1.07 0.64 116.94 121.75 1s9a h PHE 10 Ca 0.26 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1s9a h PHE 10 Cb -0.05 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1s9a h PHE 10 CO -0.04 0.69 0.14 -0.44 -2.02 0.00 0.00 178.31 176.64 1s9a h ASP 11 N 0.30 0.51 -0.74 0.41 3.45 -1.36 0.64 116.42 119.63 1s9a h ASP 11 Ca 0.08 -0.17 0.01 0.00 0.43 0.00 0.00 57.03 57.38 1s9a h ASP 11 Cb 0.48 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 1s9a h ASP 11 CO 0.02 0.54 0.48 -0.08 -1.57 0.00 0.00 179.24 178.64 1s9a h GLU 12 N 0.44 0.95 -0.16 3.56 4.57 -1.00 -1.72 114.58 121.22 1s9a h GLU 12 Ca 0.12 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1s9a h GLU 12 Cb 0.20 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1s9a h GLU 12 CO -0.01 0.63 0.07 0.35 -1.18 0.00 0.00 179.01 178.87 1s9a h PHE 13 N 0.98 0.23 -0.56 0.92 3.57 0.80 -1.82 116.94 121.06 1s9a h PHE 13 Ca 0.28 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.86 1s9a h PHE 13 Cb -0.08 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 1s9a h PHE 13 CO -0.03 0.28 0.15 1.15 -2.23 0.00 0.00 178.31 177.64 1s9a h THR 14 N 0.11 0.72 -0.46 4.41 2.02 0.54 -0.85 112.91 119.40 1s9a h THR 14 Ca 0.05 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1s9a h THR 14 Cb 0.14 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1s9a h THR 14 CO -0.01 0.06 0.05 0.44 0.37 0.00 0.00 175.52 176.43 1s9a h ASP 15 N 0.30 0.69 0.39 4.18 3.32 -1.18 -1.88 116.42 122.25 1s9a h ASP 15 Ca 0.29 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1s9a h ASP 15 Cb 0.38 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1s9a h ASP 15 CO -0.33 0.73 -0.19 0.25 -1.72 0.00 0.00 179.24 177.98 1s9a h LEU 16 N 0.70 -0.45 -0.52 1.55 5.85 -0.34 -2.09 115.31 120.01 1s9a h LEU 16 Ca 0.15 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1s9a h LEU 16 Cb 0.36 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1s9a h LEU 16 CO 0.01 -0.26 -0.04 0.40 -0.34 0.00 0.00 178.44 178.21 1s9a h ILE 17 N -0.61 1.27 -0.56 4.05 1.08 -1.12 -1.64 117.51 119.98 1s9a h ILE 17 Ca -0.05 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 1s9a h ILE 17 Cb 0.45 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1s9a h ILE 17 CO 0.09 0.41 0.32 0.03 -0.69 0.00 0.00 178.15 178.31 1s9a h ARG 18 N 0.81 0.76 -0.76 2.37 3.08 -1.37 0.18 114.38 119.46 1s9a h ARG 18 Ca 0.14 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1s9a h ARG 18 Cb 0.59 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1s9a h ARG 18 CO 0.04 0.57 0.47 0.22 -1.07 0.00 0.00 179.97 180.19 1s9a h ASP 19 N 0.75 0.89 0.18 7.04 3.58 -1.25 0.21 116.42 127.81 1s9a h ASP 19 Ca 0.20 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1s9a h ASP 19 Cb 0.01 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1s9a h ASP 19 CO -0.04 0.67 -0.09 0.15 -2.88 0.00 0.00 179.24 177.06 1s9a h PHE 20 N 1.04 -0.22 -0.72 0.28 3.57 -0.49 -1.01 116.94 119.38 1s9a h PHE 20 Ca 0.27 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.93 1s9a h PHE 20 Cb -0.07 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.64 1s9a h PHE 20 CO 0.00 0.08 0.15 0.82 -2.23 0.00 0.00 178.31 177.13 1s9a h ILE 21 N -0.53 0.50 0.60 1.41 2.04 -0.11 -2.18 117.51 119.25 1s9a h ILE 21 Ca -0.02 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1s9a h ILE 21 Cb 0.40 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1s9a h ILE 21 CO 0.04 0.04 -0.29 0.58 0.00 0.00 0.00 178.15 178.53 1s9a h VAL 22 N 0.24 0.08 -0.70 1.67 2.07 -0.40 -0.98 116.25 118.24 1s9a h VAL 22 Ca 0.40 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1s9a h VAL 22 Cb 0.69 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1s9a h VAL 22 CO -0.52 0.01 0.18 0.03 0.02 0.00 0.00 177.57 177.30 1s9a h ARG 23 N -1.18 0.28 -0.03 1.57 3.08 -1.10 -0.31 114.38 116.69 1s9a h ARG 23 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1s9a h ARG 23 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1s9a h ARG 23 CO 0.13 0.19 0.00 0.72 -1.07 0.00 0.00 179.97 179.94 1s9a n HIS 24 N -5.13 0.02 -3.75 3.04 8.25 -0.83 -4.98 115.22 111.85 1s9a n HIS 24 Ca 0.13 -0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 1s9a n HIS 24 Cb 0.42 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 0.36 -2.83 -1.86 -0.41 1.02 -0.13 -4.85 120.64 111.94 1s9a n GLU 25 Ca 0.18 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.40 1s9a n GLU 25 Cb 0.39 -4.58 -0.03 0.00 -0.02 0.00 0.00 31.44 27.20 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 -3.67 2.72 0.78 -3.67 1.09 -0.71 -4.97 121.20 112.77 1s9a s ILE 26 Ca 0.21 0.32 -0.10 0.00 -1.10 0.00 0.00 60.65 59.99 1s9a s ILE 26 Cb -0.07 -3.21 0.09 0.00 -1.06 0.00 0.00 42.46 38.21 1s9a s ILE 26 CO 0.85 0.01 1.11 0.42 -0.10 0.00 0.00 174.94 177.23 1s9a s THR 27 N 2.17 2.13 0.09 2.92 -4.23 -1.26 -4.88 115.64 112.58 1s9a s THR 27 Ca 0.75 -0.15 -0.26 0.00 -1.18 0.00 0.00 61.69 60.84 1s9a s THR 27 Cb -0.43 -2.98 -0.15 0.00 1.34 0.00 0.00 72.50 70.28 1s9a s THR 27 CO 0.33 0.00 1.70 0.74 -0.54 0.00 0.00 174.62 176.85 1s9a h THR 28 N -0.90 0.74 -0.95 3.99 2.02 -1.99 -1.29 112.91 114.52 1s9a h THR 28 Ca -0.45 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.79 1s9a h THR 28 Cb 1.31 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 1s9a h THR 28 CO 0.58 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 176.44 1s9a h PRO 29 N -0.32 1.10 -0.50 6.66 0.11 -1.99 -0.36 132.00 136.69 1s9a h PRO 29 Ca -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1s9a h PRO 29 Cb 0.26 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1s9a h PRO 29 CO 0.03 0.73 0.30 0.93 -0.21 0.00 0.00 178.00 179.78 1s9a h GLU 30 N 1.13 0.69 -0.41 1.05 5.08 -1.90 -1.25 114.58 118.98 1s9a h GLU 30 Ca 0.40 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1s9a h GLU 30 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1s9a h GLU 30 CO -0.16 0.51 0.22 -0.92 -1.00 0.00 0.00 179.01 177.66 1s9a h TYR 31 N 0.67 0.57 -0.28 4.33 5.03 -0.71 -0.39 116.97 126.20 1s9a h TYR 31 Ca 0.18 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.44 1s9a h TYR 31 Cb 0.00 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 1s9a h TYR 31 CO -0.03 0.45 0.03 0.93 -1.32 0.00 0.00 178.16 178.22 1s9a h GLU 32 N 0.53 0.41 -0.04 1.82 5.08 -0.92 0.59 114.58 122.05 1s9a h GLU 32 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1s9a h GLU 32 Cb 0.08 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s9a h GLU 32 CO -0.02 0.42 -0.02 1.15 -1.00 0.00 0.00 179.01 179.54 1s9a h THR 33 N 0.41 1.33 -0.50 1.13 2.02 -0.53 -0.39 112.91 116.37 1s9a h THR 33 Ca 0.09 -1.01 0.09 0.00 0.77 0.00 0.00 66.41 66.36 1s9a h THR 33 Cb 0.23 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 1s9a h THR 33 CO 0.00 0.27 0.07 0.40 0.37 0.00 0.00 175.52 176.63 1s9a h ILE 34 N -0.31 0.68 -0.21 3.11 2.04 -0.83 0.17 117.51 122.15 1s9a h ILE 34 Ca 0.01 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1s9a h ILE 34 Cb 0.44 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1s9a h ILE 34 CO 0.01 0.04 -0.04 -0.03 0.00 0.00 0.00 178.15 178.12 1s9a h MET 35 N 0.20 0.02 -0.74 2.37 4.05 -0.76 -0.37 114.93 119.71 1s9a h MET 35 Ca 0.25 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.72 1s9a h MET 35 Cb 0.36 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 1s9a h MET 35 CO -0.36 0.01 0.44 1.96 0.23 0.00 0.00 176.91 179.19 1s9a h GLN 36 N 0.02 0.80 -0.78 0.39 7.50 -0.59 -2.27 115.11 120.17 1s9a h GLN 36 Ca 0.10 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.15 1s9a h GLN 36 Cb 0.15 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 1s9a h GLN 36 CO -0.20 0.53 0.30 -0.92 -1.50 0.00 0.00 178.83 177.04 1s9a h TYR 37 N 0.82 1.20 -0.72 2.96 3.20 -0.09 -0.43 116.97 123.92 1s9a h TYR 37 Ca 0.32 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1s9a h TYR 37 Cb 0.13 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1s9a h TYR 37 CO -0.05 0.91 0.29 0.52 -1.64 0.00 0.00 178.16 178.19 1s9a h MET 38 N 1.14 1.07 0.42 1.82 2.86 -0.54 -1.93 114.93 119.77 1s9a h MET 38 Ca 0.26 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1s9a h MET 38 Cb 0.23 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1s9a h MET 38 CO -0.02 0.88 -0.22 0.82 1.06 0.00 0.00 176.91 179.43 1s9a h ILE 39 N 1.02 0.55 -0.78 -1.22 2.04 -1.24 -2.82 117.51 115.07 1s9a h ILE 39 Ca 0.24 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.24 1s9a h ILE 39 Cb 0.20 0.55 -0.14 0.00 -0.74 0.00 0.00 36.82 36.70 1s9a h ILE 39 CO -0.02 0.00 -0.23 -1.20 0.00 0.00 0.00 178.15 176.70 1s9a n SER 40 N -5.35 -0.36 -0.13 1.72 7.64 -0.19 -0.85 113.62 116.10 1s9a n SER 40 Ca -0.11 1.35 -0.13 0.00 1.01 0.00 0.00 58.87 61.00 1s9a n SER 40 Cb 0.25 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 1s9a n SER 40 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1s9a h VAL 41 N 0.00 1.27 -0.09 0.44 2.07 -1.25 -1.88 116.25 116.81 1s9a h VAL 41 Ca 0.34 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1s9a h VAL 41 Cb 0.53 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1s9a h VAL 41 CO -0.79 0.50 0.05 1.23 0.02 0.00 0.00 177.57 178.58 1s9a h GLY 42 N 0.76 0.13 1.62 2.17 0.00 -0.77 -2.69 103.07 104.30 1s9a h GLY 42 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1s9a h GLY 42 CO 0.08 0.05 0.11 0.83 0.00 0.00 0.00 176.54 177.62 1s9a h GLU 43 N 0.08 0.49 -7.51 4.80 5.08 -0.80 -3.40 114.58 113.32 1s9a h GLU 43 Ca 0.03 -0.07 -0.42 0.00 -1.00 0.00 0.00 59.36 57.90 1s9a h GLU 43 Cb 0.04 -0.09 0.19 0.00 0.50 0.00 0.00 28.75 29.39 1s9a h GLU 43 CO -0.01 0.43 0.21 0.00 -1.00 0.00 0.00 179.01 178.65 1s9a s ALA 44 N -5.19 1.03 -0.59 3.43 0.00 -0.73 -4.95 121.76 114.77 1s9a s ALA 44 Ca -0.08 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1s9a s ALA 44 Cb 0.16 -2.85 0.37 0.00 0.00 0.00 0.00 23.12 20.81 1s9a s ALA 44 CO 0.74 -3.31 2.06 0.41 0.00 0.00 0.00 175.76 175.66 1s9a n GLY 45 N -1.71 5.36 0.48 0.00 0.00 -1.26 -4.74 105.19 103.33 1s9a n GLY 45 Ca 0.14 -2.01 0.09 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.52 1.55 -0.02 1.61 1.02 -1.02 -4.51 120.64 118.76 1s9a n GLU 46 Ca 0.54 -1.02 -0.09 0.00 -0.02 0.00 0.00 57.16 56.57 1s9a n GLU 46 Cb 0.60 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 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 2.35 -0.47 -0.97 -0.32 -0.00 -1.85 0.93 115.95 115.62 1s9a h TRP 47 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.98 1s9a h TRP 47 Cb 0.66 0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 29.99 1s9a h TRP 47 CO 0.00 -0.26 0.63 -1.35 -0.00 0.00 0.00 178.44 177.46 1s9a h PRO 48 N -0.21 1.10 -0.34 0.49 0.11 -1.96 0.17 132.00 131.36 1s9a h PRO 48 Ca 0.11 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 1s9a h PRO 48 Cb 0.38 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1s9a h PRO 48 CO -0.30 0.73 -0.31 1.25 -0.21 0.00 0.00 178.00 179.16 1s9a h LEU 49 N 1.14 0.87 0.23 2.35 5.85 -1.54 -1.60 115.31 122.61 1s9a h LEU 49 Ca 0.41 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1s9a h LEU 49 Cb 0.16 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1s9a h LEU 49 CO -0.16 1.15 -0.11 -0.25 -0.34 0.00 0.00 178.44 178.73 1s9a h TRP 50 N 0.60 -0.29 -0.90 1.25 7.01 0.13 -1.47 115.95 122.28 1s9a h TRP 50 Ca 0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1s9a h TRP 50 Cb 0.89 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 28.00 1s9a h TRP 50 CO 0.07 0.06 0.58 -0.07 -2.79 0.00 0.00 178.44 176.28 1s9a h LEU 51 N -0.69 1.06 -0.66 0.65 3.38 -0.76 -1.93 115.31 116.35 1s9a h LEU 51 Ca -0.03 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1s9a h LEU 51 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1s9a h LEU 51 CO 0.05 0.78 -0.51 0.44 0.09 0.00 0.00 178.44 179.30 1s9a h ASP 52 N 1.23 0.46 -0.73 -0.43 5.19 -1.30 0.19 116.42 121.03 1s9a h ASP 52 Ca 0.33 -0.23 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 1s9a h ASP 52 Cb -0.10 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.24 1s9a h ASP 52 CO -0.07 0.89 0.21 0.00 -3.12 0.00 0.00 179.24 177.16 1s9a h ALA 53 N 1.12 0.96 0.00 3.45 0.00 -0.70 -3.23 119.26 120.86 1s9a h ALA 53 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 1s9a h ALA 53 Cb 1.01 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1s9a h ALA 53 CO 0.09 0.66 -2.10 1.19 0.00 0.00 0.00 179.25 179.09 1s9a n PHE 54 N -4.25 0.00 0.00 0.00 3.72 -0.78 -4.34 117.46 111.81 1s9a n PHE 54 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1s9a n PHE 54 Cb 0.24 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 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 -2.72 0.00 -0.03 1.38 0.99 0.62 -4.72 117.46 112.98 1s9a n PHE 55 Ca -0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.10 1s9a n PHE 55 Cb 0.98 0.00 0.12 0.00 -1.00 0.00 0.00 39.48 39.58 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 0.61 -1.24 -1.08 4.81 -1.46 -2.08 114.58 114.14 1s9a h GLU 56 Ca 0.00 -0.27 0.39 0.00 -0.13 0.00 0.00 59.36 59.35 1s9a h GLU 56 Cb 0.00 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.24 1s9a h GLU 56 CO 0.00 0.85 0.80 0.00 -0.73 0.00 0.00 179.01 179.93 1s9a h THR 57 N 0.52 0.22 0.05 0.32 1.03 -1.83 0.12 112.91 113.35 1s9a h THR 57 Ca 0.06 -0.05 -0.19 0.00 -0.01 0.00 0.00 66.41 66.22 1s9a h THR 57 Cb 0.79 0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.91 1s9a h THR 57 CO 0.06 0.03 -0.99 0.74 -0.01 0.00 0.00 175.52 175.35 1s9a h THR 58 N 0.16 1.20 -0.88 0.00 2.02 -1.71 -2.90 112.91 110.79 1s9a h THR 58 Ca 0.76 -2.32 0.16 0.00 0.77 0.00 0.00 66.41 65.79 1s9a h THR 58 Cb 2.30 2.74 -0.07 0.00 -1.74 0.00 0.00 68.15 71.38 1s9a h THR 58 CO -0.39 0.55 0.57 0.58 0.37 0.00 0.00 175.52 177.21 1s9a h VAL 59 N -0.71 0.78 0.86 3.16 2.07 -0.96 -2.63 116.25 118.82 1s9a h VAL 59 Ca -0.24 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1s9a h VAL 59 Cb 1.42 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1s9a h VAL 59 CO -0.04 0.11 -0.41 -0.78 0.02 0.00 0.00 177.57 176.46 1s9a h ASP 60 N 0.58 -0.98 0.01 0.57 3.58 -0.83 -2.69 116.42 116.66 1s9a h ASP 60 Ca 0.45 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1s9a h ASP 60 Cb 0.88 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1s9a h ASP 60 CO -0.20 -0.66 0.00 -1.54 -2.88 0.00 0.00 179.24 173.96 1s9a n SER 61 N -5.56 0.00 -0.04 2.28 3.41 -1.01 -0.98 113.62 111.72 1s9a n SER 61 Ca -0.15 0.41 -0.16 0.00 -0.26 0.00 0.00 58.87 58.71 1s9a n SER 61 Cb 0.46 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 1s9a n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1s9a n VAL 62 N -1.41 1.63 0.22 -3.33 0.31 -1.07 -4.14 118.33 110.54 1s9a n VAL 62 Ca 0.00 -0.71 0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1s9a n VAL 62 Cb 0.00 -1.32 0.38 0.00 -0.91 0.00 0.00 33.84 32.00 1s9a n VAL 62 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1s9a h SER 63 N 0.03 0.00 0.00 4.52 0.87 -0.72 -3.42 113.55 114.83 1s9a h SER 63 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1s9a h SER 63 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1s9a h SER 63 CO 0.05 0.15 -0.11 0.00 -0.53 0.00 0.00 176.83 176.39 1s9a n TYR 64 N -3.21 -1.13 -0.63 2.24 4.19 -1.14 -5.12 117.16 112.36 1s9a n TYR 64 Ca 0.02 0.20 0.00 0.00 3.31 0.00 0.00 57.90 61.43 1s9a n TYR 64 Cb 0.47 0.33 0.00 0.00 0.49 0.00 0.00 39.34 40.63 1s9a n TYR 64 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1s9a n GLY 65 N 2.31 -3.35 3.53 2.98 0.00 -1.26 -5.01 105.19 104.38 1s9a n GLY 65 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1s9a n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s9a n LYS 66 N -1.81 -2.84 0.00 1.61 0.00 -1.26 -4.89 118.16 108.96 1s9a n LYS 66 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 58.31 56.53 1s9a n LYS 66 Cb 0.17 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1s9a n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s9a n GLY 67 N -4.53 0.10 0.14 3.14 0.00 -1.26 -4.82 105.19 97.96 1s9a n GLY 67 Ca 0.15 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.66 -4.19 1.61 0.23 -1.26 -4.86 115.26 107.45 1s9a n ASN 68 Ca 0.00 -0.56 -0.35 0.00 -0.53 0.00 0.00 54.58 53.15 1s9a n ASN 68 Cb 0.00 0.04 0.09 0.00 -2.08 0.00 0.00 39.78 37.84 1s9a n ASN 68 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1s9a n TRP 69 N -0.98 -2.43 -2.80 -2.53 8.01 -1.26 -4.79 117.44 110.66 1s9a n TRP 69 Ca 0.11 0.23 -0.41 0.00 -1.31 0.00 0.00 57.50 56.11 1s9a n TRP 69 Cb 0.32 -1.56 -0.03 0.00 -2.01 0.00 0.00 31.31 28.03 1s9a n TRP 69 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1s9a s THR 70 N -2.17 4.90 0.15 -0.99 2.01 0.55 -4.84 115.64 115.26 1s9a s THR 70 Ca 0.48 1.89 -0.31 0.00 0.31 0.00 0.00 61.69 64.05 1s9a s THR 70 Cb -0.12 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.05 1s9a s THR 70 CO 0.71 0.15 1.70 -0.44 -0.69 0.00 0.00 174.62 176.05 1s9a s SER 71 N 0.98 6.48 1.15 3.53 0.01 -1.26 -4.96 113.70 119.63 1s9a s SER 71 Ca 0.47 2.72 -0.18 0.00 1.31 0.00 0.00 55.95 60.28 1s9a s SER 71 Cb -0.20 -2.58 0.26 0.00 0.21 0.00 0.00 66.02 63.71 1s9a s SER 71 CO 0.23 -0.93 1.12 -0.94 0.41 0.00 0.00 173.24 173.13 1s9a s SER 72 N 1.75 1.37 0.20 2.44 1.04 -1.26 -4.84 113.70 114.39 1s9a s SER 72 Ca 0.75 0.71 -0.22 0.00 0.48 0.00 0.00 55.95 57.67 1s9a s SER 72 Cb -0.46 -1.03 0.05 0.00 0.10 0.00 0.00 66.02 64.68 1s9a s SER 72 CO 0.33 -3.86 0.63 0.00 0.98 0.00 0.00 173.24 171.33 1s9a s ALA 73 N -3.05 -1.43 0.42 5.32 0.00 -0.08 -4.86 121.76 118.08 1s9a s ALA 73 Ca 0.70 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 1s9a s ALA 73 Cb -0.11 0.87 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 1s9a s ALA 73 CO 0.56 -0.86 1.21 0.44 0.00 0.00 0.00 175.76 177.12 1s9a n ILE 74 N -0.40 2.54 0.09 0.00 -5.35 -1.26 -3.94 119.36 111.04 1s9a n ILE 74 Ca -0.12 -0.50 -0.20 0.00 -0.27 0.00 0.00 62.75 61.66 1s9a n ILE 74 Cb 0.63 -1.47 -0.12 0.00 -1.74 0.00 0.00 39.64 36.94 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 1.96 0.54 -0.45 6.28 4.15 -1.93 -3.44 115.11 122.21 1s9a h GLN 75 Ca -0.47 -0.72 0.05 0.00 0.77 0.00 0.00 58.65 58.28 1s9a h GLN 75 Cb 1.30 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 29.22 1s9a h GLN 75 CO 0.59 1.32 -0.09 0.41 -1.93 0.00 0.00 178.83 179.13 1s9a n GLY 76 N 1.34 -1.54 1.37 2.39 0.00 -1.26 -4.54 105.19 102.95 1s9a n GLY 76 Ca -0.12 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.80 3.32 -0.10 1.61 -0.04 -1.26 -4.51 135.00 132.23 1s9a n PRO 77 Ca -0.00 -2.31 0.04 0.00 -0.04 0.00 0.00 63.50 61.19 1s9a n PRO 77 Cb 0.09 -1.82 0.09 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.80 0.21 -2.51 0.54 3.72 -1.26 -5.03 117.46 113.94 1s9a n PHE 78 Ca 0.21 -0.60 -0.35 0.00 -0.05 0.00 0.00 57.45 56.65 1s9a n PHE 78 Cb 0.78 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1s9a n PHE 78 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1s9a s PHE 79 N -1.43 3.10 -0.11 1.38 5.36 -1.26 -5.03 117.98 119.99 1s9a s PHE 79 Ca 0.15 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1s9a s PHE 79 Cb 0.10 -3.13 0.02 0.00 -0.34 0.00 0.00 43.02 39.67 1s9a s PHE 79 CO 0.06 -0.83 -0.10 0.15 -1.46 0.00 0.00 175.22 173.04 1s9a s LYS 80 N -2.84 1.69 0.69 10.12 -0.14 -1.26 -5.14 119.74 122.87 1s9a s LYS 80 Ca 0.63 -0.33 -0.14 0.00 -1.36 0.00 0.00 55.97 54.76 1s9a s LYS 80 Cb -0.20 -1.65 0.02 0.00 -1.68 0.00 0.00 37.83 34.31 1s9a s LYS 80 CO 0.25 -0.21 1.12 -1.21 -0.76 0.00 0.00 175.35 174.54 1s9a s GLU 81 N 1.50 2.59 -0.74 1.68 0.41 -1.26 -4.08 118.70 118.79 1s9a s GLU 81 Ca 0.02 1.39 -0.04 0.00 -0.41 0.00 0.00 54.97 55.93 1s9a s GLU 81 Cb -0.13 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 1s9a s GLU 81 CO -0.07 -1.42 0.50 0.41 -0.49 0.00 0.00 175.26 174.20 1s9a n GLY 82 N -0.53 0.13 3.78 -1.39 0.00 -1.26 -5.03 105.19 100.89 1s9a n GLY 82 Ca 0.10 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.05 2.57 0.17 4.61 0.00 -1.26 -4.99 121.76 119.80 1s9a s ALA 83 Ca 0.25 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1s9a s ALA 83 Cb -0.11 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1s9a s ALA 83 CO 0.31 -1.10 1.18 -1.25 0.00 0.00 0.00 175.76 174.90 1s9a s PRO 84 N -4.01 4.50 -0.19 0.00 0.04 -1.26 -4.57 135.00 129.51 1s9a s PRO 84 Ca 0.67 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 1s9a s PRO 84 Cb -0.20 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1s9a s PRO 84 CO 0.39 -0.09 1.19 -1.17 0.04 0.00 0.00 177.00 177.36 1s9a s LEU 85 N -0.06 4.15 -0.11 -3.56 1.98 -1.26 0.17 118.68 119.98 1s9a s LEU 85 Ca 0.53 1.57 -0.03 0.00 -2.89 0.00 0.00 54.13 53.32 1s9a s LEU 85 Cb -0.32 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 42.96 1s9a s LEU 85 CO 0.35 -0.74 0.00 -0.76 -1.89 0.00 0.00 176.35 173.31 1s9a s LEU 86 N 3.42 3.55 0.00 -0.68 1.43 -0.25 -4.92 118.68 121.23 1s9a s LEU 86 Ca 0.51 0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1s9a s LEU 86 Cb -0.19 -1.83 0.18 0.00 0.03 0.00 0.00 46.19 44.38 1s9a s LEU 86 CO 0.12 0.32 1.06 0.35 0.23 0.00 0.00 176.35 178.43 1s9a n THR 87 N 2.55 0.00 -0.66 5.49 -2.24 -1.26 -4.64 114.28 113.52 1s9a n THR 87 Ca -0.18 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 1s9a n THR 87 Cb 0.53 0.70 0.18 0.00 -2.10 0.00 0.00 70.33 69.64 1s9a n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s9a n GLY 88 N 0.21 -1.87 0.13 3.38 0.00 -1.26 -4.94 105.19 100.84 1s9a n GLY 88 Ca 0.02 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1s9a n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s9a h LYS 89 N -2.03 0.38 -0.32 1.61 1.57 -2.02 -3.21 116.57 112.55 1s9a h LYS 89 Ca -0.51 -0.61 -0.08 0.00 -1.87 0.00 0.00 60.65 57.59 1s9a h LYS 89 Cb 1.31 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 1s9a h LYS 89 CO 0.40 1.28 -0.09 -1.35 -0.57 0.00 0.00 179.45 179.12 1s9a h PRO 90 N -0.20 0.64 -2.70 3.15 0.11 -1.99 -3.50 132.00 127.51 1s9a h PRO 90 Ca -0.16 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1s9a h PRO 90 Cb 1.73 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.81 1s9a h PRO 90 CO 0.18 0.82 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 1s9a n ALA 91 N -2.42 -2.70 -2.48 -0.75 0.00 -1.21 -4.46 120.51 106.48 1s9a n ALA 91 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1s9a n ALA 91 Cb 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.29 3.01 0.37 0.00 2.01 -1.26 -0.93 115.64 118.55 1s9a s THR 92 Ca 0.00 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1s9a s THR 92 Cb 0.00 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 1s9a s THR 92 CO 0.00 0.52 1.39 -0.76 -0.69 0.00 0.00 174.62 175.08 1s9a s LEU 93 N -0.94 4.34 0.03 4.42 1.43 -0.64 -4.93 118.68 122.40 1s9a s LEU 93 Ca 0.13 2.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.78 1s9a s LEU 93 Cb -0.11 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 1s9a s LEU 93 CO 0.02 -0.75 1.89 -2.16 0.23 0.00 0.00 176.35 175.58 1s9a s PRO 94 N -2.01 4.15 0.05 1.29 0.04 -1.26 -4.80 135.00 132.46 1s9a s PRO 94 Ca 0.52 2.54 -0.06 0.00 0.04 0.00 0.00 61.00 64.03 1s9a s PRO 94 Cb -0.43 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.06 1s9a s PRO 94 CO 0.57 -0.92 0.12 0.00 0.04 0.00 0.00 177.00 176.82 1s9a s MET 95 N 4.11 0.66 0.77 4.56 0.23 -1.26 0.59 119.30 128.95 1s9a s MET 95 Ca 0.85 -0.81 -0.11 0.00 -1.03 0.00 0.00 55.69 54.58 1s9a s MET 95 Cb -0.42 0.26 0.05 0.00 -1.53 0.00 0.00 34.83 33.20 1s9a s MET 95 CO 0.39 -0.18 1.09 -0.98 -2.03 0.00 0.00 175.02 173.31 1s9a s ARG 96 N -2.95 2.34 0.31 3.16 1.70 -1.26 -4.94 118.95 117.31 1s9a s ARG 96 Ca -0.02 0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 55.66 1s9a s ARG 96 Cb 0.01 -1.94 -0.12 0.00 -0.57 0.00 0.00 34.95 32.32 1s9a s ARG 96 CO -0.06 -1.46 1.40 0.00 -1.08 0.00 0.00 175.30 174.10 1s9a n ALA 97 N -3.33 1.55 -2.35 7.88 0.00 -1.26 -1.85 120.51 121.15 1s9a n ALA 97 Ca 0.07 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 1s9a n ALA 97 Cb 0.56 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 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 1.39 -4.33 -4.43 0.00 8.00 -1.26 -4.86 116.55 111.06 1s9a n ASP 98 Ca 0.07 0.16 -0.63 0.00 0.71 0.00 0.00 54.79 55.10 1s9a n ASP 98 Cb 0.35 -3.68 -0.09 0.00 -0.02 0.00 0.00 41.12 37.68 1s9a n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s9a n GLU 99 N -2.78 0.00 -0.87 -1.24 -0.58 -0.77 -4.82 120.64 109.58 1s9a n GLU 99 Ca -0.17 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.26 1s9a n GLU 99 Cb 0.62 -1.41 0.15 0.00 -0.57 0.00 0.00 31.44 30.23 1s9a n GLU 99 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1s9a s PRO 100 N 2.52 1.33 0.00 3.49 0.04 -1.26 -4.91 135.00 136.22 1s9a s PRO 100 Ca 0.97 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1s9a s PRO 100 Cb -1.38 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1s9a s PRO 100 CO 0.74 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1s9a n GLY 101 N -0.22 1.35 3.78 0.56 0.00 -1.26 -4.59 105.19 104.81 1s9a n GLY 101 Ca 0.11 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.01 6.29 0.55 1.61 -0.00 -1.26 -4.89 116.67 118.97 1s9a s ASP 102 Ca 0.00 2.19 -0.17 0.00 -0.00 0.00 0.00 52.55 54.57 1s9a s ASP 102 Cb 0.00 -2.59 -0.06 0.00 -0.00 0.00 0.00 42.92 40.27 1s9a s ASP 102 CO 0.00 -0.83 1.05 -0.13 -0.00 0.00 0.00 175.17 175.26 1s9a s ARG 103 N -2.75 3.52 -0.05 8.23 1.81 -1.25 -0.85 118.95 127.60 1s9a s ARG 103 Ca 0.63 1.24 -0.04 0.00 -1.72 0.00 0.00 55.73 55.85 1s9a s ARG 103 Cb -0.25 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.21 1s9a s ARG 103 CO 0.31 -0.65 0.13 1.41 -0.68 0.00 0.00 175.30 175.82 1s9a s MET 104 N -3.79 0.13 -0.11 3.54 -2.45 -0.24 -0.77 119.30 115.61 1s9a s MET 104 Ca 0.65 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 55.36 1s9a s MET 104 Cb -0.16 -0.02 -0.01 0.00 1.25 0.00 0.00 34.83 35.89 1s9a s MET 104 CO 0.31 -0.07 -0.19 0.50 1.05 0.00 0.00 175.02 176.61 1s9a s ARG 105 N 0.48 3.14 -0.08 4.11 3.52 -0.85 -1.24 118.95 128.03 1s9a s ARG 105 Ca -0.03 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1s9a s ARG 105 Cb -0.05 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1s9a s ARG 105 CO -0.02 0.22 -0.17 0.12 -0.81 0.00 0.00 175.30 174.63 1s9a s PHE 106 N 0.28 2.66 0.17 5.12 2.19 -0.34 -1.56 117.98 126.50 1s9a s PHE 106 Ca -0.14 -0.54 0.05 0.00 0.33 0.00 0.00 56.93 56.63 1s9a s PHE 106 Cb -0.17 -1.70 -0.05 0.00 -1.31 0.00 0.00 43.02 39.79 1s9a s PHE 106 CO 0.07 -0.11 -0.10 0.95 1.83 0.00 0.00 175.22 177.87 1s9a s THR 107 N -0.12 1.28 -3.08 0.12 -4.23 -0.68 -1.81 115.64 107.12 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 -0.14 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1s9a s THR 107 CO 0.04 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 1s9a n GLY 108 N -0.27 -0.53 3.12 3.99 0.00 -0.64 -1.28 105.19 109.58 1s9a n GLY 108 Ca -0.09 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 0.22 -0.47 1.61 1.04 -0.95 0.33 113.70 111.48 1s9a s SER 109 Ca 0.00 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1s9a s SER 109 Cb 0.00 0.24 0.13 0.00 0.10 0.00 0.00 66.02 66.49 1s9a s SER 109 CO 0.00 -0.55 0.23 -0.69 0.98 0.00 0.00 173.24 173.21 1s9a s VAL 110 N -2.98 1.98 0.29 5.02 1.01 -1.09 -0.29 120.40 124.34 1s9a s VAL 110 Ca -0.02 -2.85 0.09 0.00 0.00 0.00 0.00 61.98 59.20 1s9a s VAL 110 Cb 0.01 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1s9a s VAL 110 CO -0.06 -0.82 0.02 -0.13 0.00 0.00 0.00 175.10 174.10 1s9a s ARG 111 N 0.13 2.26 0.00 2.72 0.52 -0.90 0.83 118.95 124.51 1s9a s ARG 111 Ca 0.17 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1s9a s ARG 111 Cb -0.25 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.11 1s9a s ARG 111 CO -0.01 0.28 0.00 -0.40 0.02 0.00 0.00 175.30 175.19 1s9a n ASP 112 N -0.94 0.00 0.02 0.23 5.68 -0.70 -2.79 116.55 118.04 1s9a n ASP 112 Ca -0.05 -0.96 -0.10 0.00 -0.50 0.00 0.00 54.79 53.18 1s9a n ASP 112 Cb 0.60 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.54 1s9a n ASP 112 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1s9a h THR 113 N -0.57 0.74 0.00 2.12 2.02 -1.88 -2.20 112.91 113.14 1s9a h THR 113 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1s9a h THR 113 Cb 0.00 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1s9a h THR 113 CO 0.00 0.00 -0.03 0.28 0.37 0.00 0.00 175.52 176.14 1s9a h SER 114 N -0.12 0.00 0.00 4.18 0.02 -1.95 -3.46 113.55 112.22 1s9a h SER 114 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1s9a h SER 114 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1s9a h SER 114 CO -0.15 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.17 1s9a n GLY 115 N -1.09 0.88 3.65 -3.77 0.00 -0.83 -5.08 105.19 98.95 1s9a n GLY 115 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1s9a n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s9a s THR 116 N -2.00 4.52 0.35 2.61 -4.23 -1.26 -4.71 115.64 110.92 1s9a s THR 116 Ca 0.00 1.80 -0.28 0.00 -1.18 0.00 0.00 61.69 62.03 1s9a s THR 116 Cb 0.00 -4.29 -0.12 0.00 1.34 0.00 0.00 72.50 69.44 1s9a s THR 116 CO 0.00 -0.30 1.43 -2.65 -0.54 0.00 0.00 174.62 172.56 1s9a n PRO 117 N 6.63 2.47 -3.21 3.99 -0.02 -1.26 -1.72 135.00 141.87 1s9a n PRO 117 Ca 0.12 0.87 -0.46 0.00 -2.02 0.00 0.00 63.50 62.01 1s9a n PRO 117 Cb 0.46 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1s9a n PRO 117 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1s9a s ILE 118 N -0.96 5.31 0.36 4.25 1.01 0.24 -4.86 121.20 126.56 1s9a s ILE 118 Ca 0.56 -2.06 0.17 0.00 0.00 0.00 0.00 60.65 59.32 1s9a s ILE 118 Cb -0.52 -4.54 0.15 0.00 0.01 0.00 0.00 42.46 37.57 1s9a s ILE 118 CO 0.61 -1.14 1.89 0.71 0.00 0.00 0.00 174.94 177.01 1s9a h THR 119 N 5.21 1.04 0.00 2.92 1.35 -1.89 -2.82 112.91 118.73 1s9a h THR 119 Ca 0.05 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1s9a h THR 119 Cb 1.05 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1s9a h THR 119 CO 0.89 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 1s9a n GLY 120 N -0.49 -0.96 3.77 5.82 0.00 -1.26 -4.69 105.19 107.37 1s9a n GLY 120 Ca -0.02 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.25 -0.10 4.61 0.00 -1.07 -4.39 121.76 122.07 1s9a s ALA 121 Ca 0.02 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1s9a s ALA 121 Cb 0.01 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1s9a s ALA 121 CO 0.02 -0.33 -0.16 0.08 0.00 0.00 0.00 175.76 175.37 1s9a s VAL 122 N -1.36 1.51 -0.24 0.00 1.01 -0.40 -4.24 120.40 116.68 1s9a s VAL 122 Ca 0.52 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1s9a s VAL 122 Cb -0.30 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1s9a s VAL 122 CO 0.38 0.44 -0.11 0.27 0.00 0.00 0.00 175.10 176.09 1s9a s ILE 123 N 0.86 2.47 0.10 2.22 -4.36 0.44 -1.68 121.20 121.25 1s9a s ILE 123 Ca -0.09 -1.21 -0.30 0.00 -0.26 0.00 0.00 60.65 58.78 1s9a s ILE 123 Cb -0.15 -2.27 -0.06 0.00 1.25 0.00 0.00 42.46 41.22 1s9a s ILE 123 CO 0.00 0.20 1.09 -1.81 0.24 0.00 0.00 174.94 174.66 1s9a s ASP 124 N 1.24 7.26 -0.05 4.36 1.11 0.14 -0.57 116.67 130.16 1s9a s ASP 124 Ca -0.02 1.96 0.02 0.00 0.18 0.00 0.00 52.55 54.68 1s9a s ASP 124 Cb -0.17 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.25 1s9a s ASP 124 CO -0.07 -0.28 -0.07 0.54 1.18 0.00 0.00 175.17 176.47 1s9a s VAL 125 N 0.39 0.74 0.00 -1.27 0.11 0.30 -0.55 120.40 120.13 1s9a s VAL 125 Ca 0.52 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1s9a s VAL 125 Cb -0.27 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1s9a s VAL 125 CO 0.31 0.26 0.06 -1.66 -3.33 0.00 0.00 175.10 170.75 1s9a s TRP 126 N 0.72 0.10 0.22 1.54 -2.14 -0.90 -1.48 118.94 117.01 1s9a s TRP 126 Ca -0.12 -0.21 -0.23 0.00 2.66 0.00 0.00 56.10 58.21 1s9a s TRP 126 Cb -0.14 -0.09 0.04 0.00 -3.10 0.00 0.00 33.47 30.18 1s9a s TRP 126 CO 0.01 -0.20 0.82 -3.38 -2.66 0.00 0.00 176.95 171.55 1s9a s HIS 127 N -1.10 -0.17 0.67 1.66 -3.43 -0.89 -0.58 115.29 111.44 1s9a s HIS 127 Ca -0.12 -0.22 -0.11 0.00 -0.80 0.00 0.00 55.06 53.81 1s9a s HIS 127 Cb -0.07 0.68 -0.01 0.00 -1.43 0.00 0.00 32.58 31.75 1s9a s HIS 127 CO 0.00 -1.06 1.06 -1.54 -2.00 0.00 0.00 174.74 171.20 1s9a s SER 128 N -2.93 5.80 0.90 7.38 1.04 -1.26 -4.79 113.70 119.84 1s9a s SER 128 Ca 0.11 1.31 -0.12 0.00 0.48 0.00 0.00 55.95 57.73 1s9a s SER 128 Cb -0.04 -2.24 0.13 0.00 0.10 0.00 0.00 66.02 63.98 1s9a s SER 128 CO 0.05 -1.13 1.14 0.42 0.98 0.00 0.00 173.24 174.69 1s9a s THR 129 N -3.24 2.00 0.57 2.02 -4.23 -0.03 -4.67 115.64 108.05 1s9a s THR 129 Ca 0.57 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.35 1s9a s THR 129 Cb -0.11 -2.77 0.36 0.00 1.34 0.00 0.00 72.50 71.32 1s9a s THR 129 CO 0.53 0.00 2.07 -1.13 -0.54 0.00 0.00 174.62 175.55 1s9a h ASN 130 N -1.46 0.00 1.61 3.99 -1.24 -1.85 -1.39 115.58 115.24 1s9a h ASN 130 Ca -0.50 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.51 1s9a h ASN 130 Cb 1.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.38 1s9a h ASN 130 CO 0.62 0.00 -0.20 -0.78 -1.29 0.00 0.00 177.43 175.78 1s9a h ASP 131 N 0.00 0.00 0.00 1.15 3.58 -1.94 -3.46 116.42 115.75 1s9a h ASP 131 Ca 0.12 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1s9a h ASP 131 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1s9a h ASP 131 CO -0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 1s9a n GLY 132 N 1.19 1.82 3.28 -0.78 0.00 -0.52 -4.96 105.19 105.22 1s9a n GLY 132 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.02 2.72 -0.16 1.61 0.02 -1.26 -4.76 114.94 111.08 1s9a s ASN 133 Ca 0.00 -0.52 -0.08 0.00 -1.02 0.00 0.00 52.86 51.23 1s9a s ASN 133 Cb 0.00 -0.25 -0.05 0.00 0.02 0.00 0.00 41.25 40.98 1s9a s ASN 133 CO 0.00 0.21 0.13 -0.31 0.02 0.00 0.00 177.10 177.15 1s9a s TYR 134 N -0.75 3.47 0.49 2.20 2.02 -1.26 -0.85 117.35 122.67 1s9a s TYR 134 Ca 0.09 0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.97 1s9a s TYR 134 Cb -0.09 -2.06 -0.09 0.00 -0.40 0.00 0.00 41.96 39.33 1s9a s TYR 134 CO 0.01 0.47 0.94 -1.13 -1.57 0.00 0.00 175.55 174.27 1s9a n SER 135 N 2.86 0.85 0.00 2.29 3.41 -1.26 -1.73 113.62 120.04 1s9a n SER 135 Ca -0.18 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1s9a n SER 135 Cb 0.53 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1s9a n SER 135 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s9a n PHE 136 N -0.99 0.00 -1.97 7.33 3.72 -1.24 -4.80 117.46 119.51 1s9a n PHE 136 Ca 0.11 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.51 1s9a n PHE 136 Cb 0.42 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.09 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 0.50 -3.64 1.38 3.01 -0.71 -5.01 117.46 110.99 1s9a n PHE 137 Ca 0.00 -1.41 -0.07 0.00 1.01 0.00 0.00 57.45 56.98 1s9a n PHE 137 Cb 0.00 -0.24 -0.07 0.00 -0.01 0.00 0.00 39.48 39.16 1s9a n PHE 137 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1s9a s SER 138 N -3.03 -0.81 0.44 4.37 0.15 -1.23 -4.71 113.70 108.88 1s9a s SER 138 Ca 0.38 1.33 0.12 0.00 0.70 0.00 0.00 55.95 58.49 1s9a s SER 138 Cb 0.38 1.34 1.03 0.00 -1.71 0.00 0.00 66.02 67.05 1s9a s SER 138 CO -0.08 -0.21 2.04 -0.65 1.20 0.00 0.00 173.24 175.54 1s9a h PRO 139 N 6.42 0.36 0.00 5.44 0.11 -1.95 -1.34 132.00 141.04 1s9a h PRO 139 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1s9a h PRO 139 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s9a h PRO 139 CO 0.15 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 1s9a n ALA 140 N -2.51 2.13 -2.62 -0.75 0.00 -1.26 -4.74 120.51 110.76 1s9a n ALA 140 Ca 0.05 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1s9a n ALA 140 Cb 0.23 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.21 2.03 0.43 0.00 1.43 -0.51 -5.13 118.68 114.72 1s9a s LEU 141 Ca 0.25 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 1s9a s LEU 141 Cb 0.13 -0.61 -0.11 0.00 0.03 0.00 0.00 46.19 45.63 1s9a s LEU 141 CO 0.24 0.14 0.94 -2.65 0.23 0.00 0.00 176.35 175.25 1s9a n PRO 142 N 2.74 1.20 -1.57 1.29 -0.02 -1.26 -4.68 135.00 132.70 1s9a n PRO 142 Ca -0.14 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 1s9a n PRO 142 Cb 0.56 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1s9a n PRO 142 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s9a n ASP 143 N 0.56 8.44 -4.18 2.55 10.43 -1.26 -3.60 116.55 129.48 1s9a n ASP 143 Ca 0.10 -2.80 -0.11 0.00 2.57 0.00 0.00 54.79 54.55 1s9a n ASP 143 Cb 0.39 -1.48 -0.10 0.00 1.84 0.00 0.00 41.12 41.78 1s9a n ASP 143 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1s9a s GLN 144 N 0.83 0.87 -0.36 -1.24 -1.52 -1.26 -4.90 119.66 112.08 1s9a s GLN 144 Ca 0.64 -1.36 -0.28 0.00 -1.95 0.00 0.00 55.36 52.41 1s9a s GLN 144 Cb 0.19 -0.25 -0.02 0.00 -0.22 0.00 0.00 33.01 32.70 1s9a s GLN 144 CO -0.07 -0.01 1.80 0.71 -0.25 0.00 0.00 175.29 177.46 1s9a s TYR 145 N -3.59 1.81 -0.02 0.91 2.02 -1.26 -4.51 117.35 112.71 1s9a s TYR 145 Ca 0.13 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.48 1s9a s TYR 145 Cb 0.05 -4.13 0.01 0.00 -0.40 0.00 0.00 41.96 37.50 1s9a s TYR 145 CO -0.04 -2.86 -0.01 -0.51 -1.57 0.00 0.00 175.55 170.56 1s9a s LEU 146 N 7.07 1.54 -1.21 -1.29 1.43 -1.26 -4.73 118.68 120.22 1s9a s LEU 146 Ca 0.78 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.77 1s9a s LEU 146 Cb -0.21 -0.20 0.05 0.00 0.03 0.00 0.00 46.19 45.86 1s9a s LEU 146 CO 0.32 -0.04 0.38 0.18 0.23 0.00 0.00 176.35 177.43 1s9a n LEU 147 N 3.64 -1.47 -3.91 1.79 4.77 0.20 -4.45 117.00 117.57 1s9a n LEU 147 Ca -0.21 -0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.38 1s9a n LEU 147 Cb 0.54 -2.12 -0.15 0.00 -2.33 0.00 0.00 43.42 39.36 1s9a n LEU 147 CO 0.24 0.10 -0.38 -0.13 -1.33 0.00 0.00 177.39 175.88 1s9a s ARG 148 N -5.78 0.28 -0.15 3.23 0.52 -1.26 -2.11 118.95 113.68 1s9a s ARG 148 Ca 0.31 -0.09 -0.34 0.00 -0.52 0.00 0.00 55.73 55.08 1s9a s ARG 148 Cb -0.16 -0.29 0.14 0.00 0.52 0.00 0.00 34.95 35.16 1s9a s ARG 148 CO 0.38 0.04 1.34 0.20 0.02 0.00 0.00 175.30 177.28 1s9a s GLY 149 N 0.08 -0.36 -0.06 -3.53 0.00 -0.55 -4.36 107.32 98.54 1s9a s GLY 149 Ca -0.00 1.29 0.06 0.00 0.00 0.00 0.00 44.72 46.06 1s9a s GLY 149 CO -0.00 0.36 -0.24 0.50 0.00 0.00 0.00 173.10 173.72 1s9a s ARG 150 N -2.21 2.49 -0.01 2.90 0.52 0.13 -0.54 118.95 122.23 1s9a s ARG 150 Ca 0.13 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 1s9a s ARG 150 Cb 0.03 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 1s9a s ARG 150 CO -0.04 0.35 -0.13 0.08 0.02 0.00 0.00 175.30 175.57 1s9a s VAL 151 N -0.11 1.07 -0.10 3.52 1.01 0.27 -1.09 120.40 124.96 1s9a s VAL 151 Ca -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1s9a s VAL 151 Cb -0.14 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1s9a s VAL 151 CO 0.04 0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 174.64 1s9a s VAL 152 N -0.28 3.27 0.60 2.92 1.01 -1.26 -0.42 120.40 126.24 1s9a s VAL 152 Ca 0.04 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1s9a s VAL 152 Cb -0.06 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1s9a s VAL 152 CO -0.00 0.55 1.11 -2.16 0.00 0.00 0.00 175.10 174.60 1s9a s PRO 153 N -0.14 3.11 0.79 2.72 0.04 -1.26 -4.91 135.00 135.35 1s9a s PRO 153 Ca -0.00 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1s9a s PRO 153 Cb -0.13 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.49 1s9a s PRO 153 CO 0.03 -1.02 1.15 0.00 0.04 0.00 0.00 177.00 177.20 1s9a s ALA 154 N -2.10 2.00 -0.09 8.56 0.00 -0.47 -4.88 121.76 124.77 1s9a s ALA 154 Ca 0.69 0.61 0.21 0.00 0.00 0.00 0.00 51.96 53.46 1s9a s ALA 154 Cb -0.21 -3.40 1.12 0.00 0.00 0.00 0.00 23.12 20.62 1s9a s ALA 154 CO 0.34 -2.05 1.60 1.05 0.00 0.00 0.00 175.76 176.71 1s9a h GLU 155 N -0.93 0.00 -0.16 0.00 4.11 -1.94 0.19 114.58 115.86 1s9a h GLU 155 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1s9a h GLU 155 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1s9a h GLU 155 CO 0.48 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.16 1s9a n ASP 156 N -2.25 2.08 0.00 3.06 5.75 -1.26 -4.86 116.55 119.07 1s9a n ASP 156 Ca -0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1s9a n ASP 156 Cb 0.12 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1s9a n ASP 156 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s9a n GLY 157 N 1.23 3.10 3.53 6.12 0.00 0.68 -4.76 105.19 115.09 1s9a n GLY 157 Ca 0.17 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1s9a n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s9a n SER 158 N 1.08 -0.05 -4.17 1.61 3.41 -1.26 -2.65 113.62 111.60 1s9a n SER 158 Ca 0.00 0.87 -0.17 0.00 -0.26 0.00 0.00 58.87 59.31 1s9a n SER 158 Cb 0.00 -1.25 -0.12 0.00 -0.26 0.00 0.00 64.21 62.59 1s9a n SER 158 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1s9a s ILE 159 N -1.51 1.03 -0.17 -1.33 -4.36 0.15 -1.36 121.20 113.65 1s9a s ILE 159 Ca 0.67 -1.39 -0.14 0.00 -0.26 0.00 0.00 60.65 59.53 1s9a s ILE 159 Cb -0.50 -1.12 0.05 0.00 1.25 0.00 0.00 42.46 42.13 1s9a s ILE 159 CO 0.54 -0.33 0.45 -0.70 0.24 0.00 0.00 174.94 175.15 1s9a s GLU 160 N -2.02 0.50 0.04 0.37 2.12 -1.26 -1.62 118.70 116.83 1s9a s GLU 160 Ca -0.00 0.68 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 1s9a s GLU 160 Cb -0.08 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.50 1s9a s GLU 160 CO 0.02 -0.09 0.21 -0.59 -0.54 0.00 0.00 175.26 174.26 1s9a s PHE 161 N 0.55 0.03 0.08 5.30 -0.12 -0.75 -4.85 117.98 118.22 1s9a s PHE 161 Ca -0.03 -0.23 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1s9a s PHE 161 Cb -0.04 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1s9a s PHE 161 CO -0.03 -0.43 -0.04 -1.01 -0.05 0.00 0.00 175.22 173.66 1s9a s HIS 162 N -2.49 2.91 0.00 3.49 3.76 -0.10 -1.20 115.29 121.66 1s9a s HIS 162 Ca -0.06 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1s9a s HIS 162 Cb -0.01 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1s9a s HIS 162 CO -0.03 0.45 0.00 0.45 -0.85 0.00 0.00 174.74 174.76 1s9a n SER 163 N 0.79 0.00 -4.86 1.40 2.88 -0.38 -1.61 113.62 111.84 1s9a n SER 163 Ca -0.12 -0.25 -0.22 0.00 -1.33 0.00 0.00 58.87 56.95 1s9a n SER 163 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 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 -2.87 4.66 -0.03 2.46 -5.25 -1.26 -1.08 121.20 117.82 1s9a s ILE 164 Ca 0.00 -1.26 -0.30 0.00 -0.99 0.00 0.00 60.65 58.10 1s9a s ILE 164 Cb 0.00 -3.51 -0.05 0.00 2.95 0.00 0.00 42.46 41.85 1s9a s ILE 164 CO 0.00 -0.32 1.43 -0.60 -1.79 0.00 0.00 174.94 173.67 1s9a s ARG 165 N -3.79 4.25 0.61 0.37 3.52 -0.03 -4.66 118.95 119.22 1s9a s ARG 165 Ca 0.33 1.97 -0.18 0.00 -0.13 0.00 0.00 55.73 57.72 1s9a s ARG 165 Cb -0.08 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1s9a s ARG 165 CO 0.26 -0.65 1.21 -2.14 -0.81 0.00 0.00 175.30 173.17 1s9a s PRO 166 N 2.88 2.88 0.28 5.12 0.02 -1.26 -4.73 135.00 140.19 1s9a s PRO 166 Ca 0.65 1.82 0.06 0.00 0.02 0.00 0.00 61.00 63.55 1s9a s PRO 166 Cb -0.31 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.24 1s9a s PRO 166 CO 0.25 -1.28 -0.03 0.14 -0.33 0.00 0.00 177.00 175.76 1s9a s VAL 167 N -1.63 1.47 0.25 3.83 -7.23 -1.26 -4.70 120.40 111.12 1s9a s VAL 167 Ca 0.77 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 1s9a s VAL 167 Cb -0.30 -2.51 -0.12 0.00 0.56 0.00 0.00 36.38 34.01 1s9a s VAL 167 CO 0.35 -0.25 1.65 -2.65 -0.31 0.00 0.00 175.10 173.89 1s9a n PRO 168 N -0.58 2.70 -4.51 4.82 -0.02 -1.26 -4.45 135.00 131.69 1s9a n PRO 168 Ca -0.05 0.97 -0.25 0.00 -2.02 0.00 0.00 63.50 62.15 1s9a n PRO 168 Cb 0.64 -2.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.57 2.34 -0.15 6.00 -0.85 -1.11 -4.88 117.35 119.27 1s9a s TYR 169 Ca 0.70 -0.45 -0.05 0.00 -0.52 0.00 0.00 57.07 56.75 1s9a s TYR 169 Cb -0.51 -1.23 -0.03 0.00 0.38 0.00 0.00 41.96 40.56 1s9a s TYR 169 CO 0.41 0.62 0.02 -2.00 -1.52 0.00 0.00 175.55 173.08 1s9a s GLU 170 N -3.58 3.62 -0.04 -3.49 2.12 -1.26 -0.25 118.70 115.82 1s9a s GLU 170 Ca 0.31 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 1s9a s GLU 170 Cb -0.00 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 1s9a s GLU 170 CO 0.16 0.39 1.16 0.42 -0.54 0.00 0.00 175.26 176.85 1s9a s ILE 171 N 0.00 4.34 -0.20 -3.70 1.01 0.89 -4.89 121.20 118.64 1s9a s ILE 171 Ca 0.04 1.66 -0.40 0.00 0.00 0.00 0.00 60.65 61.95 1s9a s ILE 171 Cb -0.13 -4.07 -0.17 0.00 0.01 0.00 0.00 42.46 38.11 1s9a s ILE 171 CO 0.02 0.03 1.60 -2.65 0.00 0.00 0.00 174.94 173.94 1s9a n PRO 172 N 4.92 0.98 -0.30 2.79 -0.02 -1.26 -4.69 135.00 137.42 1s9a n PRO 172 Ca 0.10 0.36 0.21 0.00 -2.02 0.00 0.00 63.50 62.14 1s9a n PRO 172 Cb 0.47 -2.01 0.49 0.00 -0.02 0.00 0.00 33.50 32.44 1s9a n PRO 172 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1s9a h LYS 173 N 6.17 0.42 0.00 -0.52 5.09 -1.90 -2.62 116.57 123.21 1s9a h LYS 173 Ca -0.47 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.25 1s9a h LYS 173 Cb 1.33 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.57 1s9a h LYS 173 CO 0.91 0.28 -0.81 0.00 -2.09 0.00 0.00 179.45 177.74 1s9a h ALA 174 N 1.61 0.53 -2.88 0.07 0.00 -1.91 -2.93 119.26 113.75 1s9a h ALA 174 Ca 0.54 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.92 1s9a h ALA 174 Cb 1.32 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.23 1s9a h ALA 174 CO -0.25 0.00 0.49 0.20 0.00 0.00 0.00 179.25 179.69 1s9a s GLY 175 N -3.98 2.77 0.33 0.00 0.00 -0.99 -4.66 107.32 100.80 1s9a s GLY 175 Ca 0.03 1.06 0.12 0.00 0.00 0.00 0.00 44.72 45.94 1s9a s GLY 175 CO 0.76 1.47 1.64 -2.55 0.00 0.00 0.00 173.10 174.41 1s9a h PRO 176 N 0.90 0.21 0.21 2.90 0.11 -1.90 1.53 132.00 135.96 1s9a h PRO 176 Ca -0.51 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1s9a h PRO 176 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1s9a h PRO 176 CO 0.55 0.14 -0.10 1.15 -0.21 0.00 0.00 178.00 179.52 1s9a h THR 177 N 0.21 0.87 -0.16 -1.15 2.02 -1.91 -1.14 112.91 111.65 1s9a h THR 177 Ca 0.71 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1s9a h THR 177 Cb 1.65 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 1s9a h THR 177 CO -0.67 0.14 -0.11 1.23 0.37 0.00 0.00 175.52 176.47 1s9a h GLY 178 N -0.60 0.02 0.09 2.16 0.00 -1.27 0.95 103.07 104.41 1s9a h GLY 178 Ca -0.03 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.60 1s9a h GLY 178 CO 0.05 -0.13 0.34 1.46 0.00 0.00 0.00 176.54 178.26 1s9a h GLN 179 N -0.11 0.45 -0.52 4.80 1.08 0.23 0.98 115.11 122.03 1s9a h GLN 179 Ca 0.10 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1s9a h GLN 179 Cb 0.26 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1s9a h GLN 179 CO -0.23 0.30 0.19 1.25 -0.95 0.00 0.00 178.83 179.38 1s9a h LEU 180 N 0.47 0.74 -0.20 1.46 5.85 -0.52 0.30 115.31 123.40 1s9a h LEU 180 Ca 0.45 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.76 1s9a h LEU 180 Cb 0.72 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1s9a h LEU 180 CO -0.42 0.73 -0.90 0.24 -0.34 0.00 0.00 178.44 177.75 1s9a h MET 181 N 0.70 0.47 0.00 1.25 2.86 0.16 -0.79 114.93 119.58 1s9a h MET 181 Ca 0.17 -0.47 -0.28 0.00 -2.06 0.00 0.00 59.70 57.06 1s9a h MET 181 Cb 0.24 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1s9a h MET 181 CO -0.01 1.11 -1.72 0.09 1.06 0.00 0.00 176.91 177.45 1s9a n ASN 182 N -3.79 1.91 -0.01 1.22 4.13 0.32 -0.16 115.26 118.88 1s9a n ASN 182 Ca -0.07 0.40 -0.00 0.00 1.68 0.00 0.00 54.58 56.59 1s9a n ASN 182 Cb 0.81 -0.86 -0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1s9a n ASN 182 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1s9a h SER 183 N -1.00 -0.01 -0.07 6.41 0.87 -0.59 -3.02 113.55 116.14 1s9a h SER 183 Ca -0.42 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.91 1s9a h SER 183 Cb 1.32 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1s9a h SER 183 CO -0.26 0.12 -0.82 1.88 -0.53 0.00 0.00 176.83 177.23 1s9a h TYR 184 N -0.27 1.00 0.00 2.24 0.99 -1.40 -3.08 116.97 116.46 1s9a h TYR 184 Ca -0.00 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1s9a h TYR 184 Cb 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.59 1s9a h TYR 184 CO 0.01 1.28 -0.41 -0.07 -0.00 0.00 0.00 178.16 178.97 1s9a h LEU 185 N 0.48 0.00 -1.29 3.88 3.38 -1.35 -3.49 115.31 116.93 1s9a h LEU 185 Ca -0.06 -0.06 -0.39 0.00 0.09 0.00 0.00 57.88 57.46 1s9a h LEU 185 Cb 1.44 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.31 1s9a h LEU 185 CO 0.16 0.03 -0.74 0.61 0.09 0.00 0.00 178.44 178.59 1s9a n GLY 186 N 1.23 -0.44 0.00 0.83 0.00 -1.14 -4.98 105.19 100.70 1s9a n GLY 186 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.54 1.99 -4.24 1.61 1.74 0.77 -5.00 116.66 108.99 1s9a n ARG 187 Ca -0.14 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 1s9a n ARG 187 Cb 0.61 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.95 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 4.01 1.30 -0.18 -1.55 -3.43 -1.22 -4.51 115.29 109.70 1s9a s HIS 188 Ca 0.00 -1.31 0.15 0.00 -0.80 0.00 0.00 55.06 53.09 1s9a s HIS 188 Cb 0.00 -0.68 0.39 0.00 -1.43 0.00 0.00 32.58 30.86 1s9a s HIS 188 CO 0.00 -0.54 1.24 -1.13 -2.00 0.00 0.00 174.74 172.32 1s9a n SER 189 N -0.35 2.33 -4.75 7.38 3.41 -1.26 -4.70 113.62 115.68 1s9a n SER 189 Ca 0.01 -3.44 -0.40 0.00 -0.26 0.00 0.00 58.87 54.78 1s9a n SER 189 Cb 0.66 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 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 -3.04 3.81 0.07 7.33 0.52 -1.26 -0.08 118.94 126.28 1s9a s TRP 190 Ca 0.37 1.63 -0.02 0.00 0.02 0.00 0.00 56.10 58.10 1s9a s TRP 190 Cb 0.33 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.72 1s9a s TRP 190 CO -0.00 0.31 0.24 1.03 0.02 0.00 0.00 176.95 178.55 1s9a s ARG 191 N -0.31 3.48 0.63 4.98 0.52 0.65 -2.65 118.95 126.26 1s9a s ARG 191 Ca 0.41 -0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 55.15 1s9a s ARG 191 Cb -0.22 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1s9a s ARG 191 CO 0.26 0.59 1.06 -1.25 0.02 0.00 0.00 175.30 175.98 1s9a s PRO 192 N -2.43 3.18 0.46 3.54 0.04 -1.26 -2.73 135.00 135.79 1s9a s PRO 192 Ca 0.35 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1s9a s PRO 192 Cb -0.13 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1s9a s PRO 192 CO 0.26 -0.91 1.38 0.00 0.04 0.00 0.00 177.00 177.76 1s9a n ALA 193 N -2.46 1.80 -3.46 8.56 0.00 -1.26 -4.73 120.51 118.96 1s9a n ALA 193 Ca 0.08 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 1s9a n ALA 193 Cb 0.53 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.21 -0.53 -0.07 0.00 -3.43 -1.26 -4.03 115.29 104.76 1s9a s HIS 194 Ca 0.63 0.51 0.03 0.00 -0.80 0.00 0.00 55.06 55.43 1s9a s HIS 194 Cb -0.46 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 1s9a s HIS 194 CO 0.56 -0.73 -0.15 -1.50 -2.00 0.00 0.00 174.74 170.93 1s9a s ILE 195 N -2.95 3.01 0.20 -5.38 2.07 -0.27 -4.63 121.20 113.25 1s9a s ILE 195 Ca -0.01 -0.73 -0.16 0.00 -1.41 0.00 0.00 60.65 58.34 1s9a s ILE 195 Cb -0.01 -2.19 -0.08 0.00 0.13 0.00 0.00 42.46 40.32 1s9a s ILE 195 CO -0.06 0.58 0.63 -1.00 -1.91 0.00 0.00 174.94 173.17 1s9a s HIS 196 N -0.49 3.57 -0.06 3.50 3.76 0.26 -0.90 115.29 124.92 1s9a s HIS 196 Ca 0.06 1.17 -0.03 0.00 -0.15 0.00 0.00 55.06 56.11 1s9a s HIS 196 Cb -0.12 -2.46 0.03 0.00 1.11 0.00 0.00 32.58 31.15 1s9a s HIS 196 CO 0.02 0.33 0.14 0.42 -0.85 0.00 0.00 174.74 174.80 1s9a s ILE 197 N -1.60 -0.04 -0.07 0.60 1.09 -0.45 -2.11 121.20 118.63 1s9a s ILE 197 Ca 0.43 0.15 0.03 0.00 -1.10 0.00 0.00 60.65 60.16 1s9a s ILE 197 Cb -0.14 -0.23 0.01 0.00 -1.06 0.00 0.00 42.46 41.03 1s9a s ILE 197 CO 0.20 0.06 -0.16 -0.60 -0.10 0.00 0.00 174.94 174.34 1s9a s ARG 198 N 0.96 2.01 -0.11 2.79 3.52 0.29 -0.86 118.95 127.55 1s9a s ARG 198 Ca -0.07 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 54.98 1s9a s ARG 198 Cb -0.10 -1.64 0.01 0.00 -1.56 0.00 0.00 34.95 31.67 1s9a s ARG 198 CO -0.05 0.12 -0.19 0.42 -0.81 0.00 0.00 175.30 174.80 1s9a s ILE 199 N 0.42 1.74 -0.06 4.11 1.01 0.75 0.25 121.20 129.42 1s9a s ILE 199 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1s9a s ILE 199 Cb -0.15 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1s9a s ILE 199 CO 0.04 0.49 -0.15 -0.89 0.00 0.00 0.00 174.94 174.43 1s9a s THR 200 N 0.78 2.97 -0.16 2.92 2.01 -0.67 -1.70 115.64 121.78 1s9a s THR 200 Ca -0.10 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 1s9a s THR 200 Cb -0.16 -2.17 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1s9a s THR 200 CO 0.01 0.58 0.40 0.00 -0.69 0.00 0.00 174.62 174.92 1s9a s ALA 201 N -0.55 -1.01 0.03 7.40 0.00 -1.26 -1.28 121.76 125.08 1s9a s ALA 201 Ca 0.08 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1s9a s ALA 201 Cb -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 1s9a s ALA 201 CO 0.01 -0.23 1.99 -0.25 0.00 0.00 0.00 175.76 177.28 1s9a n ASP 202 N 3.60 4.14 0.00 0.00 9.92 -1.26 -1.82 116.55 131.13 1s9a n ASP 202 Ca -0.19 0.87 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1s9a n ASP 202 Cb 0.56 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1s9a n ASP 202 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s9a n GLY 203 N 4.61 0.45 3.08 0.44 0.00 -1.26 -5.04 105.19 107.48 1s9a n GLY 203 Ca 0.20 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 0.77 0.03 1.61 1.51 -0.76 -2.85 117.35 115.66 1s9a s TYR 204 Ca 0.00 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 1s9a s TYR 204 Cb 0.00 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.34 1s9a s TYR 204 CO 0.00 -0.06 1.22 1.03 -1.11 0.00 0.00 175.55 176.63 1s9a s ARG 205 N -1.63 4.40 0.48 -0.62 1.81 -1.26 -4.51 118.95 117.62 1s9a s ARG 205 Ca -0.08 1.77 -0.23 0.00 -1.72 0.00 0.00 55.73 55.47 1s9a s ARG 205 Cb -0.10 -3.42 -0.08 0.00 -0.45 0.00 0.00 34.95 30.90 1s9a s ARG 205 CO 0.01 -0.33 1.11 -2.30 -0.68 0.00 0.00 175.30 173.11 1s9a n PRO 206 N 4.36 1.44 -4.63 3.54 -0.02 -1.26 -4.55 135.00 133.89 1s9a n PRO 206 Ca 0.10 0.52 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1s9a n PRO 206 Cb 0.46 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1s9a n PRO 206 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1s9a s LEU 207 N -1.57 1.75 -0.09 2.45 2.96 -0.69 -5.00 118.68 118.48 1s9a s LEU 207 Ca 0.67 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1s9a s LEU 207 Cb -0.49 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 1s9a s LEU 207 CO 0.54 0.04 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.76 1s9a s ILE 208 N 0.76 2.26 0.00 6.68 1.01 -1.26 -0.18 121.20 130.48 1s9a s ILE 208 Ca -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1s9a s ILE 208 Cb -0.16 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1s9a s ILE 208 CO 0.02 0.56 0.00 1.07 0.00 0.00 0.00 174.94 176.59 1s9a n THR 209 N 3.36 0.00 -3.83 2.92 5.66 -0.04 -0.90 114.28 121.44 1s9a n THR 209 Ca -0.18 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 1s9a n THR 209 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 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 -1.86 0.52 -0.12 1.09 -0.21 -1.26 -1.35 119.66 116.47 1s9a s GLN 210 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.13 1s9a s GLN 210 Cb 0.00 0.22 0.01 0.00 1.00 0.00 0.00 33.01 34.24 1s9a s GLN 210 CO 0.00 -0.13 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.33 1s9a s LEU 211 N -1.23 2.01 0.50 2.90 1.43 -0.08 -4.87 118.68 119.34 1s9a s LEU 211 Ca -0.13 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 1s9a s LEU 211 Cb -0.06 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1s9a s LEU 211 CO 0.02 0.08 0.35 -0.31 0.23 0.00 0.00 176.35 176.72 1s9a s TYR 212 N 0.78 1.98 -0.12 0.29 1.51 -0.31 -1.12 117.35 120.35 1s9a s TYR 212 Ca -0.09 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 1s9a s TYR 212 Cb -0.16 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1s9a s TYR 212 CO -0.00 -0.28 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.92 1s9a s PHE 213 N -2.70 2.21 0.11 2.71 0.08 -1.26 0.72 117.98 119.87 1s9a s PHE 213 Ca 0.36 -1.07 -0.35 0.00 0.12 0.00 0.00 56.93 56.00 1s9a s PHE 213 Cb -0.01 -1.56 -0.17 0.00 -0.57 0.00 0.00 43.02 40.70 1s9a s PHE 213 CO 0.22 -0.53 1.02 -1.91 -0.10 0.00 0.00 175.22 173.92 1s9a n GLU 214 N 4.16 0.56 0.00 0.44 2.13 0.01 -1.82 120.64 126.13 1s9a n GLU 214 Ca -0.19 0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1s9a n GLU 214 Cb 0.51 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1s9a n GLU 214 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s9a n GLY 215 N 1.88 1.87 3.68 8.31 0.00 -1.26 -4.83 105.19 114.85 1s9a n GLY 215 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 3.56 0.29 1.61 -0.08 -0.75 -4.85 116.55 116.32 1s9a n ASP 216 Ca 0.00 1.02 0.19 0.00 -1.51 0.00 0.00 54.79 54.49 1s9a n ASP 216 Cb 0.00 -1.46 1.02 0.00 2.34 0.00 0.00 41.12 43.02 1s9a n ASP 216 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1s9a h PRO 217 N 7.70 0.00 -0.26 -0.67 0.13 -1.96 -2.57 132.00 134.37 1s9a h PRO 217 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1s9a h PRO 217 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1s9a h PRO 217 CO 0.93 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.36 1s9a n TYR 218 N -2.83 0.34 0.17 1.56 4.02 -1.26 -4.56 117.16 114.60 1s9a n TYR 218 Ca -0.02 -0.40 0.12 0.00 -0.01 0.00 0.00 57.90 57.59 1s9a n TYR 218 Cb 0.08 -0.02 0.66 0.00 -0.02 0.00 0.00 39.34 40.04 1s9a n TYR 218 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1s9a h LEU 219 N 1.89 0.00 -3.09 7.72 3.38 -1.84 -1.75 115.31 121.63 1s9a h LEU 219 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s9a h LEU 219 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1s9a h LEU 219 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1s9a n ASP 220 N -4.48 3.00 -2.04 -0.43 9.92 -1.26 -4.54 116.55 116.71 1s9a n ASP 220 Ca 0.02 -2.78 0.01 0.00 -0.53 0.00 0.00 54.79 51.51 1s9a n ASP 220 Cb 0.27 -0.40 0.03 0.00 -0.64 0.00 0.00 41.12 40.39 1s9a n ASP 220 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1s9a n SER 221 N -0.69 0.89 -4.64 -2.24 3.41 -0.86 -5.11 113.62 104.37 1s9a n SER 221 Ca 0.16 -2.02 -0.50 0.00 -0.26 0.00 0.00 58.87 56.24 1s9a n SER 221 Cb 0.66 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1s9a n SER 221 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s9a n ASP 222 N -0.09 2.38 0.27 4.04 -0.08 -0.71 -4.85 116.55 117.51 1s9a n ASP 222 Ca 0.02 1.09 0.16 0.00 -1.51 0.00 0.00 54.79 54.55 1s9a n ASP 222 Cb 0.96 -1.29 0.73 0.00 2.34 0.00 0.00 41.12 43.87 1s9a n ASP 222 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1s9a h SER 223 N 5.68 0.00 -0.35 1.67 4.64 -1.81 -2.75 113.55 120.62 1s9a h SER 223 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1s9a h SER 223 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1s9a h SER 223 CO 0.85 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.88 1s9a n SER 225 N 0.80 -3.36 -0.37 0.00 7.64 -1.04 -4.65 113.62 112.63 1s9a n SER 225 Ca 0.13 -0.85 0.05 0.00 1.01 0.00 0.00 58.87 59.21 1s9a n SER 225 Cb 0.45 -3.63 0.03 0.00 -1.01 0.00 0.00 64.21 60.05 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 -4.53 2.57 -2.04 -0.43 0.00 -1.26 -4.84 120.51 109.98 1s9a n ALA 226 Ca -0.06 -0.55 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 1s9a n ALA 226 Cb 0.57 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 1s9a n ALA 226 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s9a s VAL 227 N -0.98 4.33 -0.11 0.00 1.01 -1.26 -4.78 120.40 118.61 1s9a s VAL 227 Ca 0.11 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.12 1s9a s VAL 227 Cb 0.08 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1s9a s VAL 227 CO 0.16 0.41 -0.11 -0.54 0.00 0.00 0.00 175.10 175.02 1s9a s LYS 228 N -0.58 1.79 0.50 2.72 1.02 -1.26 -5.04 119.74 118.90 1s9a s LYS 228 Ca 0.43 -0.38 0.36 0.00 0.02 0.00 0.00 55.97 56.40 1s9a s LYS 228 Cb -0.24 -1.68 1.51 0.00 -0.52 0.00 0.00 37.83 36.90 1s9a s LYS 228 CO 0.30 -0.17 1.69 1.03 -0.92 0.00 0.00 175.35 177.29 1s9a h SER 229 N 7.78 0.12 0.85 2.83 0.87 -1.97 0.61 113.55 124.64 1s9a h SER 229 Ca -0.32 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1s9a h SER 229 Cb 1.15 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1s9a h SER 229 CO 0.45 -0.03 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.36 1s9a h GLU 230 N 0.07 0.00 -0.59 2.24 3.07 -2.01 -3.17 114.58 114.20 1s9a h GLU 230 Ca 0.73 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 1s9a h GLU 230 Cb 2.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.56 1s9a h GLU 230 CO -0.15 0.03 0.00 1.28 -1.40 0.00 0.00 179.01 178.78 1s9a n LEU 231 N -3.16 4.01 -4.76 1.33 4.32 0.21 -4.95 117.00 114.01 1s9a n LEU 231 Ca -0.00 -2.23 -0.36 0.00 -0.02 0.00 0.00 56.01 53.41 1s9a n LEU 231 Cb 0.29 -0.47 -0.08 0.00 -1.62 0.00 0.00 43.42 41.54 1s9a n LEU 231 CO 0.27 0.85 -0.21 0.54 -1.22 0.00 0.00 177.39 177.63 1s9a s VAL 232 N -1.42 5.19 -0.16 4.08 0.11 -1.20 -1.17 120.40 125.83 1s9a s VAL 232 Ca 0.44 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.50 1s9a s VAL 232 Cb 0.26 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 1s9a s VAL 232 CO 0.25 0.53 0.12 -0.76 -3.33 0.00 0.00 175.10 171.91 1s9a s LEU 233 N -0.29 4.22 0.23 2.54 1.02 0.22 -4.76 118.68 121.87 1s9a s LEU 233 Ca 0.10 0.31 -0.32 0.00 0.02 0.00 0.00 54.13 54.24 1s9a s LEU 233 Cb -0.12 -2.06 -0.12 0.00 0.02 0.00 0.00 46.19 43.91 1s9a s LEU 233 CO 0.01 0.27 1.65 -2.65 0.02 0.00 0.00 176.35 175.66 1s9a n PRO 234 N 2.88 2.64 -3.93 1.29 -0.02 -1.26 -0.81 135.00 135.79 1s9a n PRO 234 Ca -0.18 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 1s9a n PRO 234 Cb 0.53 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.10 1s9a n PRO 234 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s9a s VAL 235 N 0.70 1.49 -0.28 -1.45 0.11 -1.26 -4.54 120.40 115.17 1s9a s VAL 235 Ca 0.72 -1.23 -0.19 0.00 -2.93 0.00 0.00 61.98 58.34 1s9a s VAL 235 Cb -0.53 -1.79 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1s9a s VAL 235 CO 0.39 -0.14 0.58 0.21 -3.33 0.00 0.00 175.10 172.81 1s9a s ASN 236 N 1.41 6.48 -0.50 3.54 3.04 -1.04 -4.93 114.94 122.95 1s9a s ASN 236 Ca -0.05 0.51 -0.17 0.00 0.04 0.00 0.00 52.86 53.19 1s9a s ASN 236 Cb -0.19 -2.31 0.07 0.00 -1.54 0.00 0.00 41.25 37.28 1s9a s ASN 236 CO -0.07 -0.38 0.53 -0.75 -3.04 0.00 0.00 177.10 173.39 1s9a s LYS 237 N 2.46 3.05 -0.09 0.43 2.47 -1.26 -1.61 119.74 125.20 1s9a s LYS 237 Ca 0.24 -1.14 -0.02 0.00 -1.56 0.00 0.00 55.97 53.49 1s9a s LYS 237 Cb -0.15 -4.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.05 1s9a s LYS 237 CO 0.10 -1.16 0.01 0.42 0.16 0.00 0.00 175.35 174.88 1s9a s ILE 238 N 2.18 4.38 -0.90 5.43 1.09 -0.08 -5.01 121.20 128.28 1s9a s ILE 238 Ca 0.10 -0.23 -0.02 0.00 -1.10 0.00 0.00 60.65 59.40 1s9a s ILE 238 Cb -0.22 -2.85 0.22 0.00 -1.06 0.00 0.00 42.46 38.56 1s9a s ILE 238 CO 0.09 0.60 0.80 -1.81 -0.10 0.00 0.00 174.94 174.52 1s9a s ASP 239 N -0.90 6.08 -1.05 3.58 1.01 -1.26 -0.36 116.67 123.77 1s9a s ASP 239 Ca 0.13 -3.70 -0.23 0.00 0.71 0.00 0.00 52.55 49.47 1s9a s ASP 239 Cb -0.11 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1s9a s ASP 239 CO 0.03 -0.19 1.83 -0.63 0.21 0.00 0.00 175.17 176.41 1s9a s ILE 240 N -1.32 3.64 0.00 0.77 1.01 -0.85 -4.76 121.20 119.69 1s9a s ILE 240 Ca 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1s9a s ILE 240 Cb -0.08 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.90 1s9a s ILE 240 CO -0.12 -1.26 0.00 0.47 0.00 0.00 0.00 174.94 174.03 1s9a n ASP 241 N 12.54 0.00 0.00 3.58 10.43 -1.26 -2.37 116.55 139.47 1s9a n ASP 241 Ca 0.41 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.77 1s9a n ASP 241 Cb 0.47 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.43 1s9a n ASP 241 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s9a n GLY 242 N 0.00 1.96 3.41 0.44 0.00 -1.26 -4.94 105.19 104.80 1s9a n GLY 242 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.49 -0.87 1.61 2.02 -1.00 -5.06 118.70 118.89 1s9a s GLU 243 Ca 0.00 -0.59 -0.18 0.00 0.02 0.00 0.00 54.97 54.23 1s9a s GLU 243 Cb 0.00 -3.32 0.15 0.00 0.10 0.00 0.00 34.13 31.06 1s9a s GLU 243 CO 0.00 -0.26 0.99 -0.08 0.02 0.00 0.00 175.26 175.93 1s9a s THR 244 N 1.58 4.97 0.57 3.63 -1.32 -1.26 -2.01 115.64 121.81 1s9a s THR 244 Ca 0.05 -1.75 -0.20 0.00 -1.21 0.00 0.00 61.69 58.58 1s9a s THR 244 Cb -0.16 -4.67 -0.04 0.00 -1.51 0.00 0.00 72.50 66.13 1s9a s THR 244 CO 0.03 -1.34 1.24 0.26 -2.21 0.00 0.00 174.62 172.60 1s9a s TRP 245 N 2.01 2.40 -0.17 9.09 0.52 0.52 -3.90 118.94 129.41 1s9a s TRP 245 Ca 0.27 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.87 1s9a s TRP 245 Cb -0.08 -3.56 0.03 0.00 -1.15 0.00 0.00 33.47 28.72 1s9a s TRP 245 CO -0.08 -2.34 -0.10 -0.65 0.02 0.00 0.00 176.95 173.80 1s9a s GLN 246 N -3.16 1.93 -0.14 4.98 -0.21 0.05 -0.90 119.66 122.21 1s9a s GLN 246 Ca 0.75 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 55.42 1s9a s GLN 246 Cb -0.33 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 1s9a s GLN 246 CO 0.37 -0.36 0.10 -0.51 -2.12 0.00 0.00 175.29 172.77 1s9a s LEU 247 N 1.50 4.12 0.04 2.90 1.43 -0.63 -2.00 118.68 126.03 1s9a s LEU 247 Ca 0.02 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1s9a s LEU 247 Cb -0.15 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1s9a s LEU 247 CO -0.09 0.31 -0.05 0.68 0.23 0.00 0.00 176.35 177.44 1s9a s VAL 248 N -0.46 0.31 -0.01 -1.59 -7.23 -0.60 -2.48 120.40 108.33 1s9a s VAL 248 Ca 0.11 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1s9a s VAL 248 Cb -0.12 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1s9a s VAL 248 CO 0.02 -0.52 0.03 -0.62 -0.31 0.00 0.00 175.10 173.70 1s9a s ASP 249 N -1.71 -0.03 -0.19 4.85 -1.08 -1.26 -1.69 116.67 115.56 1s9a s ASP 249 Ca -0.10 0.06 -0.13 0.00 -0.52 0.00 0.00 52.55 51.85 1s9a s ASP 249 Cb -0.08 0.06 0.06 0.00 -1.46 0.00 0.00 42.92 41.50 1s9a s ASP 249 CO -0.01 -0.01 0.48 0.12 0.52 0.00 0.00 175.17 176.26 1s9a s PHE 250 N 0.04 -0.63 -0.38 -5.34 2.19 -0.40 -4.89 117.98 108.57 1s9a s PHE 250 Ca -0.00 1.40 -0.10 0.00 0.33 0.00 0.00 56.93 58.55 1s9a s PHE 250 Cb -0.00 0.28 0.04 0.00 -1.31 0.00 0.00 43.02 42.02 1s9a s PHE 250 CO -0.00 -0.33 0.20 -0.80 1.83 0.00 0.00 175.22 176.12 1s9a s ASN 251 N 0.93 5.66 -0.23 6.13 0.01 -1.26 -2.25 114.94 123.94 1s9a s ASN 251 Ca -0.05 -1.09 -0.27 0.00 -0.71 0.00 0.00 52.86 50.73 1s9a s ASN 251 Cb -0.06 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.61 1s9a s ASN 251 CO -0.08 -0.40 0.93 -0.36 -1.51 0.00 0.00 177.10 175.68 1s9a s PHE 252 N 1.51 3.34 -0.15 2.20 0.08 0.60 -4.90 117.98 120.65 1s9a s PHE 252 Ca 0.01 1.31 -0.06 0.00 0.12 0.00 0.00 56.93 58.31 1s9a s PHE 252 Cb -0.20 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 1s9a s PHE 252 CO 0.05 -0.42 0.06 0.42 -0.10 0.00 0.00 175.22 175.24 1s9a s ILE 253 N 2.94 4.83 0.29 0.64 -1.09 -1.26 -2.12 121.20 125.43 1s9a s ILE 253 Ca 0.40 -0.03 0.10 0.00 -2.23 0.00 0.00 60.65 58.89 1s9a s ILE 253 Cb -0.15 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1s9a s ILE 253 CO 0.07 0.52 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.45 1s9a s LEU 254 N -0.12 2.87 -0.02 2.97 1.43 -1.12 -0.33 118.68 124.36 1s9a s LEU 254 Ca 0.07 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1s9a s LEU 254 Cb -0.12 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 1s9a s LEU 254 CO 0.01 -0.04 -0.01 1.56 0.23 0.00 0.00 176.35 178.10 1s9a h GLN 255 N 2.04 0.00 0.00 1.70 1.08 -1.94 -3.27 115.11 114.72 1s9a h GLN 255 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1s9a h GLN 255 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1s9a h GLN 255 CO 0.62 0.00 0.00 1.58 -0.95 0.00 0.00 178.83 180.08 1s9a n HIS 256 N -2.62 0.00 0.00 2.96 -0.00 -1.26 -4.80 115.22 109.49 1s9a n HIS 256 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1s9a n HIS 256 Cb 0.02 -0.46 0.00 0.00 -0.00 0.00 0.00 29.99 29.55 1s9a n HIS 256 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43