#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd9 n GLY 2 N 0.00 0.87 3.83 2.92 0.00 0.88 -4.98 105.19 108.70 1pd9 n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pd9 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pd9 s SER 3 N -1.00 5.76 -0.18 1.61 0.01 -1.26 -4.77 113.70 113.86 1pd9 s SER 3 Ca 0.00 1.64 -0.07 0.00 1.31 0.00 0.00 55.95 58.83 1pd9 s SER 3 Cb 0.00 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1pd9 s SER 3 CO 0.00 -1.19 0.05 -0.22 0.41 0.00 0.00 173.24 172.29 1pd9 s LEU 4 N -5.05 3.71 0.05 2.44 2.96 -1.26 -0.04 118.68 121.50 1pd9 s LEU 4 Ca 0.59 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1pd9 s LEU 4 Cb -0.14 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1pd9 s LEU 4 CO 0.47 0.16 0.02 0.20 -1.32 0.00 0.00 176.35 175.88 1pd9 s ASN 5 N 0.44 0.39 -0.02 3.68 0.01 0.86 -3.66 114.94 116.64 1pd9 s ASN 5 Ca 0.02 -0.88 0.07 0.00 -0.71 0.00 0.00 52.86 51.36 1pd9 s ASN 5 Cb -0.13 0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.73 1pd9 s ASN 5 CO 0.01 -0.60 -0.23 0.00 -1.51 0.00 0.00 177.10 174.77 1pd9 s ILE 7 N -0.67 1.02 0.02 0.00 2.07 -0.87 -0.85 121.20 121.92 1pd9 s ILE 7 Ca 0.11 -0.52 -0.28 0.00 -1.41 0.00 0.00 60.65 58.55 1pd9 s ILE 7 Cb -0.10 -0.87 0.08 0.00 0.13 0.00 0.00 42.46 41.70 1pd9 s ILE 7 CO -0.00 0.30 0.70 0.54 -1.91 0.00 0.00 174.94 174.57 1pd9 s VAL 8 N -0.07 0.00 -0.10 4.00 0.11 -1.08 -4.48 120.40 118.78 1pd9 s VAL 8 Ca 0.01 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 1pd9 s VAL 8 Cb -0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1pd9 s VAL 8 CO 0.00 0.00 -0.23 0.00 -3.33 0.00 0.00 175.10 171.54 1pd9 s ALA 9 N -2.33 2.10 0.01 1.54 0.00 -1.26 -0.74 121.76 121.09 1pd9 s ALA 9 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1pd9 s ALA 9 Cb -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1pd9 s ALA 9 CO -0.01 0.28 -0.04 0.14 0.00 0.00 0.00 175.76 176.13 1pd9 s VAL 10 N 0.36 0.26 0.85 0.00 -7.23 -0.64 -4.65 120.40 109.36 1pd9 s VAL 10 Ca -0.19 -0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1pd9 s VAL 10 Cb -0.18 -0.28 0.19 0.00 0.56 0.00 0.00 36.38 36.67 1pd9 s VAL 10 CO 0.09 -0.12 1.17 -1.54 -0.31 0.00 0.00 175.10 174.39 1pd9 n SER 11 N 2.48 0.55 0.18 4.85 3.41 -1.00 -0.29 113.62 123.80 1pd9 n SER 11 Ca -0.16 -1.70 0.03 0.00 -0.26 0.00 0.00 58.87 56.77 1pd9 n SER 11 Cb 0.58 -0.85 0.37 0.00 -0.26 0.00 0.00 64.21 64.05 1pd9 n SER 11 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pd9 h GLN 12 N 0.00 0.03 -0.22 4.33 4.20 -0.81 -1.99 115.11 120.64 1pd9 h GLN 12 Ca -0.38 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1pd9 h GLN 12 Cb 1.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1pd9 h GLN 12 CO 0.31 0.36 0.00 0.27 -0.67 0.00 0.00 178.83 179.11 1pd9 n ASN 13 N -4.13 1.25 -0.74 1.46 6.94 -1.26 -4.88 115.26 113.89 1pd9 n ASN 13 Ca -0.02 -1.96 -0.07 0.00 -0.02 0.00 0.00 54.58 52.51 1pd9 n ASN 13 Cb 0.38 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.64 1pd9 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1pd9 n MET 14 N 0.17 -0.56 -2.65 -3.83 2.81 -0.75 -4.95 117.12 107.36 1pd9 n MET 14 Ca 0.09 0.50 -0.41 0.00 -1.81 0.00 0.00 57.70 56.07 1pd9 n MET 14 Cb 0.20 -4.37 -0.04 0.00 -0.71 0.00 0.00 33.22 28.29 1pd9 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1pd9 s GLY 15 N -2.76 2.96 -0.00 3.03 0.00 -1.26 -1.74 107.32 107.54 1pd9 s GLY 15 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 44.72 45.44 1pd9 s GLY 15 CO 0.00 1.50 0.19 0.29 0.00 0.00 0.00 173.10 175.08 1pd9 n ILE 16 N 2.49 0.00 -3.59 0.90 -5.35 0.21 -2.38 119.36 111.64 1pd9 n ILE 16 Ca 0.02 -0.28 -0.08 0.00 -0.27 0.00 0.00 62.75 62.14 1pd9 n ILE 16 Cb 0.48 0.77 -0.02 0.00 -1.74 0.00 0.00 39.64 39.13 1pd9 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pd9 s GLY 17 N -1.92 -0.39 -0.15 3.28 0.00 -1.11 -4.59 107.32 102.44 1pd9 s GLY 17 Ca 0.01 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 1pd9 s GLY 17 CO 0.22 0.15 0.24 1.25 0.00 0.00 0.00 173.10 174.96 1pd9 s LYS 18 N -3.43 0.15 -1.54 2.90 2.20 0.25 -1.55 119.74 118.72 1pd9 s LYS 18 Ca 0.07 0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 56.08 1pd9 s LYS 18 Cb -0.02 -0.44 0.09 0.00 -1.51 0.00 0.00 37.83 35.95 1pd9 s LYS 18 CO -0.05 -0.41 0.98 0.09 -0.36 0.00 0.00 175.35 175.60 1pd9 n ASN 19 N 5.34 -4.78 0.00 1.43 3.02 -1.26 0.08 115.26 119.10 1pd9 n ASN 19 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1pd9 n ASN 19 Cb 0.50 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 1pd9 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pd9 n GLY 20 N -1.69 0.54 3.78 7.41 0.00 -1.26 -5.00 105.19 108.97 1pd9 n GLY 20 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1pd9 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pd9 s ASP 21 N -2.41 4.25 0.26 1.61 2.15 0.11 -4.67 116.67 117.97 1pd9 s ASP 21 Ca 0.00 -1.48 -0.30 0.00 0.43 0.00 0.00 52.55 51.21 1pd9 s ASP 21 Cb 0.00 0.31 -0.09 0.00 -0.30 0.00 0.00 42.92 42.84 1pd9 s ASP 21 CO 0.00 -0.84 1.00 -0.76 -0.17 0.00 0.00 175.17 174.40 1pd9 s LEU 22 N -3.95 4.60 0.57 -1.34 1.43 -1.26 0.85 118.68 119.57 1pd9 s LEU 22 Ca 0.18 2.06 0.37 0.00 -1.03 0.00 0.00 54.13 55.72 1pd9 s LEU 22 Cb 0.02 -3.64 1.85 0.00 0.03 0.00 0.00 46.19 44.45 1pd9 s LEU 22 CO 0.10 0.03 2.13 -0.65 0.23 0.00 0.00 176.35 178.20 1pd9 h PRO 23 N 3.97 0.00 -6.00 1.29 0.11 -1.84 -3.43 132.00 126.10 1pd9 h PRO 23 Ca -0.46 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.08 1pd9 h PRO 23 Cb 1.20 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1pd9 h PRO 23 CO 0.67 0.00 -0.59 1.67 -0.21 0.00 0.00 178.00 179.55 1pd9 s TRP 24 N -3.87 2.58 0.63 0.65 -2.14 -1.26 -4.73 118.94 110.81 1pd9 s TRP 24 Ca -0.02 -0.45 -0.14 0.00 2.66 0.00 0.00 56.10 58.15 1pd9 s TRP 24 Cb 0.11 -1.58 -0.02 0.00 -3.10 0.00 0.00 33.47 28.87 1pd9 s TRP 24 CO 0.44 0.42 1.05 -1.25 -2.66 0.00 0.00 176.95 174.95 1pd9 s PRO 25 N -3.76 3.21 0.19 3.25 0.04 -1.26 -4.90 135.00 131.76 1pd9 s PRO 25 Ca 0.36 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 1pd9 s PRO 25 Cb 0.00 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.36 1pd9 s PRO 25 CO 0.20 -0.89 0.93 -2.30 0.04 0.00 0.00 177.00 174.98 1pd9 n PRO 26 N -2.41 0.72 -3.70 0.56 -0.02 -1.26 -4.91 135.00 123.97 1pd9 n PRO 26 Ca 0.08 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 1pd9 n PRO 26 Cb 0.53 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.30 1pd9 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pd9 s LEU 27 N 1.22 2.48 0.31 2.45 1.43 -1.26 -4.98 118.68 120.33 1pd9 s LEU 27 Ca 0.69 -2.35 0.07 0.00 -1.03 0.00 0.00 54.13 51.51 1pd9 s LEU 27 Cb -0.89 -0.95 0.87 0.00 0.03 0.00 0.00 46.19 45.25 1pd9 s LEU 27 CO 0.56 -0.31 1.62 0.03 0.23 0.00 0.00 176.35 178.48 1pd9 h ARG 28 N 7.09 0.14 0.00 1.70 -0.00 -2.00 -0.47 114.38 120.84 1pd9 h ARG 28 Ca -0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1pd9 h ARG 28 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.89 1pd9 h ARG 28 CO 0.46 0.09 -0.53 -0.91 0.00 0.00 0.00 179.97 179.08 1pd9 h ASN 29 N 0.15 0.00 -0.24 7.04 2.35 -2.00 -3.01 115.58 119.87 1pd9 h ASN 29 Ca 0.63 -0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 56.13 1pd9 h ASN 29 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1pd9 h ASN 29 CO -0.73 0.03 -0.60 -0.08 -1.65 0.00 0.00 177.43 174.40 1pd9 h GLU 30 N 0.00 0.84 -0.72 0.81 4.22 -1.55 -2.88 114.58 115.29 1pd9 h GLU 30 Ca 0.00 -0.58 -0.01 0.00 0.08 0.00 0.00 59.36 58.86 1pd9 h GLU 30 Cb 0.90 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1pd9 h GLU 30 CO 0.00 1.20 0.43 0.74 -2.18 0.00 0.00 179.01 179.20 1pd9 h PHE 31 N 0.60 0.96 -0.43 0.92 0.04 -1.35 -0.33 116.94 117.34 1pd9 h PHE 31 Ca -0.01 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1pd9 h PHE 31 Cb 1.22 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 1pd9 h PHE 31 CO 0.08 0.65 0.28 0.00 -0.60 0.00 0.00 178.31 178.72 1pd9 h ARG 32 N 0.99 0.55 -0.13 1.51 3.08 -1.53 0.34 114.38 119.19 1pd9 h ARG 32 Ca 0.26 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1pd9 h ARG 32 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1pd9 h ARG 32 CO -0.05 0.36 0.07 -0.92 -1.07 0.00 0.00 179.97 178.36 1pd9 h TYR 33 N 0.56 0.18 -0.19 3.04 5.03 -1.31 0.19 116.97 124.48 1pd9 h TYR 33 Ca 0.16 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.48 1pd9 h TYR 33 Cb -0.04 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 1pd9 h TYR 33 CO -0.05 0.21 0.07 0.35 -1.32 0.00 0.00 178.16 177.42 1pd9 h PHE 34 N 0.10 0.13 -0.36 -3.82 3.57 -0.74 0.08 116.94 115.89 1pd9 h PHE 34 Ca 0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1pd9 h PHE 34 Cb 0.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1pd9 h PHE 34 CO -0.04 0.07 0.06 1.96 -2.23 0.00 0.00 178.31 178.13 1pd9 h GLN 35 N 0.16 0.60 -0.51 1.11 1.08 -0.79 -2.60 115.11 114.17 1pd9 h GLN 35 Ca 0.08 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 1pd9 h GLN 35 Cb 0.04 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1pd9 h GLN 35 CO -0.08 0.67 -0.03 0.07 -0.95 0.00 0.00 178.83 178.51 1pd9 h ARG 36 N 0.44 0.92 0.44 1.46 0.11 -0.45 0.66 114.38 117.95 1pd9 h ARG 36 Ca 0.11 -0.30 -0.02 0.00 0.10 0.00 0.00 59.98 59.86 1pd9 h ARG 36 Cb 0.36 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1pd9 h ARG 36 CO 0.01 0.95 -0.21 0.52 0.10 0.00 0.00 179.97 181.34 1pd9 h MET 37 N 0.78 -0.57 -0.34 0.08 2.86 -0.99 -1.85 114.93 114.89 1pd9 h MET 37 Ca 0.14 0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1pd9 h MET 37 Cb 0.56 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1pd9 h MET 37 CO 0.03 -0.34 -0.25 1.79 1.06 0.00 0.00 176.91 179.20 1pd9 h THR 38 N -0.68 1.27 0.19 2.22 1.35 -1.48 -3.31 112.91 112.47 1pd9 h THR 38 Ca -0.06 -1.35 -0.31 0.00 -0.55 0.00 0.00 66.41 64.14 1pd9 h THR 38 Cb 0.50 1.28 0.02 0.00 -1.73 0.00 0.00 68.15 68.22 1pd9 h THR 38 CO 0.10 0.44 -1.36 0.74 -0.25 0.00 0.00 175.52 175.19 1pd9 h THR 39 N 0.60 1.39 -2.40 6.82 2.02 -0.80 -3.43 112.91 117.11 1pd9 h THR 39 Ca 0.08 -2.89 -0.55 0.00 0.77 0.00 0.00 66.41 63.81 1pd9 h THR 39 Cb 0.74 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1pd9 h THR 39 CO 0.06 0.86 1.25 -0.89 0.37 0.00 0.00 175.52 177.17 1pd9 s THR 40 N -2.63 3.24 -0.14 3.16 2.01 -0.70 -4.65 115.64 115.92 1pd9 s THR 40 Ca -0.06 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 1pd9 s THR 40 Cb 0.06 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1pd9 s THR 40 CO 0.91 -0.07 0.13 -0.55 -0.69 0.00 0.00 174.62 174.35 1pd9 s SER 41 N 5.17 6.30 0.00 3.53 0.15 -1.26 -4.96 113.70 122.63 1pd9 s SER 41 Ca 0.86 0.40 0.31 0.00 0.70 0.00 0.00 55.95 58.22 1pd9 s SER 41 Cb -0.35 -2.05 1.70 0.00 -1.71 0.00 0.00 66.02 63.60 1pd9 s SER 41 CO 0.36 0.36 2.13 -1.54 1.20 0.00 0.00 173.24 175.75 1pd9 n SER 42 N 2.34 0.03 -3.69 5.45 3.41 -1.26 -4.73 113.62 115.17 1pd9 n SER 42 Ca -0.19 -0.59 -0.18 0.00 -0.26 0.00 0.00 58.87 57.64 1pd9 n SER 42 Cb 0.54 -0.14 -0.17 0.00 -0.26 0.00 0.00 64.21 64.19 1pd9 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pd9 s VAL 43 N -2.28 -0.12 0.54 -3.33 1.01 -1.26 -5.16 120.40 109.80 1pd9 s VAL 43 Ca 0.38 0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 1pd9 s VAL 43 Cb 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.38 1pd9 s VAL 43 CO 0.42 0.15 1.32 -0.70 0.00 0.00 0.00 175.10 176.29 1pd9 s GLU 44 N 1.96 3.17 0.00 2.72 2.56 -1.26 -2.56 118.70 125.28 1pd9 s GLU 44 Ca 0.02 2.13 0.00 0.00 0.00 0.00 0.00 54.97 57.11 1pd9 s GLU 44 Cb -0.12 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.79 1pd9 s GLU 44 CO -0.04 -1.13 0.00 0.41 -0.56 0.00 0.00 175.26 173.94 1pd9 n GLY 45 N 0.69 0.63 3.66 -1.50 0.00 -1.26 -5.01 105.19 102.39 1pd9 n GLY 45 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1pd9 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pd9 s LYS 46 N -0.33 2.28 0.19 1.61 1.02 -1.06 -4.91 119.74 118.54 1pd9 s LYS 46 Ca 0.00 -1.48 0.07 0.00 0.02 0.00 0.00 55.97 54.58 1pd9 s LYS 46 Cb 0.00 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1pd9 s LYS 46 CO 0.00 0.30 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.94 1pd9 s GLN 47 N -3.70 1.26 0.36 1.68 -0.21 -0.47 -4.83 119.66 113.75 1pd9 s GLN 47 Ca 0.33 -1.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.14 1pd9 s GLN 47 Cb -0.05 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 1pd9 s GLN 47 CO 0.20 0.17 0.63 -0.80 -2.12 0.00 0.00 175.29 173.37 1pd9 s ASN 48 N -3.19 6.37 -0.22 5.90 0.01 -1.26 -0.35 114.94 122.19 1pd9 s ASN 48 Ca 0.20 0.73 -0.05 0.00 -0.71 0.00 0.00 52.86 53.02 1pd9 s ASN 48 Cb -0.01 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 1pd9 s ASN 48 CO 0.06 -0.33 0.01 -0.22 -1.51 0.00 0.00 177.10 175.10 1pd9 s LEU 49 N -4.08 3.20 -0.19 0.60 2.96 -0.97 -1.42 118.68 118.77 1pd9 s LEU 49 Ca 0.44 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1pd9 s LEU 49 Cb -0.10 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1pd9 s LEU 49 CO 0.35 0.00 0.01 0.68 -1.32 0.00 0.00 176.35 176.07 1pd9 s VAL 50 N 1.38 4.07 -0.16 1.68 -7.23 0.23 -0.16 120.40 120.21 1pd9 s VAL 50 Ca 0.05 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 59.91 1pd9 s VAL 50 Cb -0.15 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1pd9 s VAL 50 CO 0.01 0.43 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.54 1pd9 s ILE 51 N 0.87 3.56 0.08 -0.62 1.01 0.36 -1.07 121.20 125.39 1pd9 s ILE 51 Ca 0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1pd9 s ILE 51 Cb -0.14 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1pd9 s ILE 51 CO 0.02 0.49 0.25 0.00 0.00 0.00 0.00 174.94 175.70 1pd9 s MET 52 N 0.55 0.85 1.02 2.79 0.23 -0.90 -1.66 119.30 122.18 1pd9 s MET 52 Ca -0.05 -0.76 -0.14 0.00 -1.03 0.00 0.00 55.69 53.71 1pd9 s MET 52 Cb -0.15 0.36 0.20 0.00 -1.53 0.00 0.00 34.83 33.71 1pd9 s MET 52 CO 0.03 -0.28 1.13 0.20 -2.03 0.00 0.00 175.02 174.07 1pd9 s GLY 53 N -2.55 1.59 0.17 3.16 0.00 -0.91 -0.60 107.32 108.18 1pd9 s GLY 53 Ca 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 44.72 43.95 1pd9 s GLY 53 CO -0.08 0.03 1.80 1.70 0.00 0.00 0.00 173.10 176.54 1pd9 h LYS 54 N -1.91 0.76 0.00 2.90 3.64 -1.90 -2.40 116.57 117.66 1pd9 h LYS 54 Ca -0.50 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 58.71 1pd9 h LYS 54 Cb 1.32 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1pd9 h LYS 54 CO 0.52 0.56 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.60 1pd9 h LYS 55 N 0.74 0.00 -0.13 1.90 3.64 -1.93 -1.76 116.57 119.05 1pd9 h LYS 55 Ca 0.20 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 1pd9 h LYS 55 Cb 0.01 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1pd9 h LYS 55 CO -0.03 0.45 -0.61 1.15 -2.27 0.00 0.00 179.45 178.14 1pd9 h THR 56 N 0.00 1.33 0.33 1.00 2.02 -1.86 -2.61 112.91 113.11 1pd9 h THR 56 Ca -0.00 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1pd9 h THR 56 Cb 0.80 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1pd9 h THR 56 CO 0.06 0.58 -0.31 -0.25 0.37 0.00 0.00 175.52 175.96 1pd9 h TRP 57 N 0.29 -0.83 0.00 3.16 2.91 -1.29 -1.46 115.95 118.73 1pd9 h TRP 57 Ca -0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1pd9 h TRP 57 Cb 1.24 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 30.22 1pd9 h TRP 57 CO 0.10 -0.45 0.00 1.19 -1.03 0.00 0.00 178.44 178.26 1pd9 n PHE 58 N -5.43 0.00 0.58 2.65 3.01 -0.67 -2.46 117.46 115.13 1pd9 n PHE 58 Ca -0.09 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.49 1pd9 n PHE 58 Cb 0.33 -0.42 0.27 0.00 -0.01 0.00 0.00 39.48 39.65 1pd9 n PHE 58 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1pd9 h SER 59 N 0.00 0.00 -3.36 4.37 4.64 -0.86 -3.46 113.55 114.88 1pd9 h SER 59 Ca 0.00 -0.11 -0.57 0.00 -0.47 0.00 0.00 61.79 60.63 1pd9 h SER 59 Cb 0.11 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 1pd9 h SER 59 CO 0.00 0.06 0.11 -0.63 -0.87 0.00 0.00 176.83 175.50 1pd9 s ILE 60 N -3.14 5.03 0.19 0.95 1.01 -1.03 -4.95 121.20 119.26 1pd9 s ILE 60 Ca 0.08 1.37 -0.31 0.00 0.00 0.00 0.00 60.65 61.79 1pd9 s ILE 60 Cb 0.13 -4.01 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 1pd9 s ILE 60 CO 0.67 0.20 0.89 -2.65 0.00 0.00 0.00 174.94 174.05 1pd9 n PRO 61 N 4.22 0.65 -0.33 2.79 -0.01 -1.26 -4.76 135.00 136.29 1pd9 n PRO 61 Ca -0.01 0.23 0.18 0.00 -0.01 0.00 0.00 63.50 63.88 1pd9 n PRO 61 Cb 0.51 -1.52 0.41 0.00 -0.01 0.00 0.00 33.50 32.89 1pd9 n PRO 61 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1pd9 h GLU 62 N 2.18 0.55 0.00 -0.52 4.81 -1.94 -0.27 114.58 119.40 1pd9 h GLU 62 Ca -0.38 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1pd9 h GLU 62 Cb 1.39 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1pd9 h GLU 62 CO 0.63 0.37 -0.00 1.57 -0.73 0.00 0.00 179.01 180.84 1pd9 h LYS 63 N 0.57 0.00 -0.36 1.92 2.10 -2.00 -2.29 116.57 116.51 1pd9 h LYS 63 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1pd9 h LYS 63 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1pd9 h LYS 63 CO -0.36 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.18 1pd9 n ASN 64 N -3.09 3.87 -4.32 7.07 3.02 -0.12 -4.95 115.26 116.73 1pd9 n ASN 64 Ca -0.01 -2.63 -0.32 0.00 -0.03 0.00 0.00 54.58 51.58 1pd9 n ASN 64 Cb 0.18 -0.47 -0.15 0.00 -0.61 0.00 0.00 39.78 38.72 1pd9 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1pd9 s ARG 65 N -2.14 3.15 0.89 3.52 0.52 -0.86 -3.57 118.95 120.46 1pd9 s ARG 65 Ca 0.39 -0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 1pd9 s ARG 65 Cb 0.28 -2.47 0.13 0.00 0.52 0.00 0.00 34.95 33.41 1pd9 s ARG 65 CO 0.14 0.25 1.14 -1.25 0.02 0.00 0.00 175.30 175.60 1pd9 s PRO 66 N 0.23 1.27 -0.15 3.54 0.04 -1.26 -4.96 135.00 133.71 1pd9 s PRO 66 Ca -0.11 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 60.91 1pd9 s PRO 66 Cb -0.16 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1pd9 s PRO 66 CO 0.06 -2.11 1.46 -0.51 0.04 0.00 0.00 177.00 175.95 1pd9 s LEU 67 N -5.97 4.16 0.54 -3.56 1.43 -1.23 -4.97 118.68 109.08 1pd9 s LEU 67 Ca 0.63 1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 55.39 1pd9 s LEU 67 Cb -0.14 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 1pd9 s LEU 67 CO 0.53 -0.93 1.06 -1.59 0.23 0.00 0.00 176.35 175.65 1pd9 s LYS 68 N 3.93 3.52 0.00 1.70 -2.85 -1.26 -3.45 119.74 121.34 1pd9 s LYS 68 Ca 0.64 1.33 0.00 0.00 -1.00 0.00 0.00 55.97 56.94 1pd9 s LYS 68 Cb -0.26 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.46 1pd9 s LYS 68 CO 0.23 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1pd9 n GLY 69 N -0.50 0.85 3.22 0.59 0.00 -1.26 -4.95 105.19 103.13 1pd9 n GLY 69 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1pd9 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pd9 s ARG 70 N -0.03 0.94 -0.15 1.61 0.52 -1.22 -4.45 118.95 116.17 1pd9 s ARG 70 Ca 0.00 -1.08 -0.24 0.00 -0.52 0.00 0.00 55.73 53.89 1pd9 s ARG 70 Cb 0.00 -0.97 -0.02 0.00 0.52 0.00 0.00 34.95 34.48 1pd9 s ARG 70 CO 0.00 0.21 0.76 0.42 0.02 0.00 0.00 175.30 176.71 1pd9 s ILE 71 N -1.49 4.95 -0.26 1.52 1.01 -0.51 -4.83 121.20 121.59 1pd9 s ILE 71 Ca 0.03 1.49 -0.10 0.00 0.00 0.00 0.00 60.65 62.07 1pd9 s ILE 71 Cb -0.09 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1pd9 s ILE 71 CO 0.03 0.10 0.14 0.20 0.00 0.00 0.00 174.94 175.41 1pd9 s ASN 72 N 1.09 5.73 -0.16 3.58 0.02 -1.26 -0.60 114.94 123.33 1pd9 s ASN 72 Ca 0.36 -0.06 0.00 0.00 -1.02 0.00 0.00 52.86 52.14 1pd9 s ASN 72 Cb -0.17 -2.05 0.00 0.00 0.02 0.00 0.00 41.25 39.06 1pd9 s ASN 72 CO 0.13 -0.03 -0.16 -0.22 0.02 0.00 0.00 177.10 176.85 1pd9 s LEU 73 N 1.60 2.43 -0.01 0.60 0.20 -0.23 -2.05 118.68 121.22 1pd9 s LEU 73 Ca 0.07 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.35 1pd9 s LEU 73 Cb -0.15 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1pd9 s LEU 73 CO 0.08 0.07 0.19 -0.69 -0.29 0.00 0.00 176.35 175.71 1pd9 s VAL 74 N 0.91 5.42 -0.18 1.68 1.01 -0.27 -2.11 120.40 126.86 1pd9 s VAL 74 Ca -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1pd9 s VAL 74 Cb -0.15 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1pd9 s VAL 74 CO -0.02 0.34 -0.11 -0.76 0.00 0.00 0.00 175.10 174.55 1pd9 s LEU 75 N -1.88 2.66 -0.02 3.92 1.43 0.23 -0.90 118.68 124.13 1pd9 s LEU 75 Ca 0.27 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1pd9 s LEU 75 Cb -0.13 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.54 1pd9 s LEU 75 CO 0.18 0.06 0.74 -0.55 0.23 0.00 0.00 176.35 177.00 1pd9 s SER 76 N 1.00 -0.56 -0.00 2.29 0.15 -0.08 -2.91 113.70 113.59 1pd9 s SER 76 Ca -0.01 0.44 0.06 0.00 0.70 0.00 0.00 55.95 57.13 1pd9 s SER 76 Cb -0.15 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.59 1pd9 s SER 76 CO -0.02 -0.65 0.22 0.54 1.20 0.00 0.00 173.24 174.54 1pd9 n ARG 77 N 0.48 3.85 -0.00 5.44 1.74 -1.26 -3.79 116.66 123.12 1pd9 n ARG 77 Ca -0.16 -0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 56.86 1pd9 n ARG 77 Cb 0.59 -0.87 -0.12 0.00 -1.02 0.00 0.00 32.46 31.05 1pd9 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pd9 n GLU 78 N -1.28 0.63 -2.67 5.56 1.02 -1.26 -4.92 120.64 117.73 1pd9 n GLU 78 Ca 0.01 0.24 -0.37 0.00 -0.02 0.00 0.00 57.16 57.01 1pd9 n GLU 78 Cb 0.11 -1.78 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1pd9 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pd9 s LEU 79 N -5.90 4.33 -0.03 -4.62 1.43 -1.26 -4.96 118.68 107.67 1pd9 s LEU 79 Ca -0.04 1.96 0.20 0.00 -1.03 0.00 0.00 54.13 55.21 1pd9 s LEU 79 Cb 0.08 -3.99 -0.30 0.00 0.03 0.00 0.00 46.19 42.01 1pd9 s LEU 79 CO 0.82 -0.19 0.42 0.29 0.23 0.00 0.00 176.35 177.92 1pd9 n LYS 80 N 0.51 0.61 -3.86 1.70 4.76 -1.26 -4.97 118.16 115.65 1pd9 n LYS 80 Ca 0.02 -0.17 -0.10 0.00 -2.87 0.00 0.00 58.31 55.18 1pd9 n LYS 80 Cb 0.49 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 32.13 1pd9 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1pd9 s GLU 81 N -3.34 0.67 0.52 1.97 -1.05 -1.26 -5.12 118.70 111.10 1pd9 s GLU 81 Ca -0.07 -0.63 -0.22 0.00 -0.15 0.00 0.00 54.97 53.90 1pd9 s GLU 81 Cb 0.12 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 34.03 1pd9 s GLU 81 CO 0.82 -0.19 1.28 -0.35 0.95 0.00 0.00 175.26 177.77 1pd9 n PRO 82 N 0.75 1.64 -0.76 -4.83 -0.04 -1.26 -4.94 135.00 125.56 1pd9 n PRO 82 Ca -0.19 0.60 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 1pd9 n PRO 82 Cb 0.59 -2.47 0.15 0.00 -0.04 0.00 0.00 33.50 31.72 1pd9 n PRO 82 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1pd9 n PRO 83 N -0.75 -0.35 -1.81 0.54 -0.02 -1.26 -4.85 135.00 126.51 1pd9 n PRO 83 Ca 0.10 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1pd9 n PRO 83 Cb 0.44 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1pd9 n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1pd9 s GLN 84 N -4.30 4.15 0.00 -0.52 0.74 -1.26 -1.69 119.66 116.78 1pd9 s GLN 84 Ca 0.65 2.53 0.00 0.00 0.05 0.00 0.00 55.36 58.59 1pd9 s GLN 84 Cb -0.23 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1pd9 s GLN 84 CO 0.60 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 1pd9 n GLY 85 N 2.95 2.86 3.89 2.59 0.00 -1.26 -4.95 105.19 111.26 1pd9 n GLY 85 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1pd9 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pd9 s ALA 86 N -2.83 3.13 -0.18 4.61 0.00 -0.68 -4.08 121.76 121.73 1pd9 s ALA 86 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1pd9 s ALA 86 Cb 0.00 -2.87 -0.13 0.00 0.00 0.00 0.00 23.12 20.12 1pd9 s ALA 86 CO 0.00 -0.79 -0.14 0.72 0.00 0.00 0.00 175.76 175.55 1pd9 n HIS 87 N -2.71 0.00 -3.96 0.00 -0.00 -0.87 -4.85 115.22 102.83 1pd9 n HIS 87 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.68 1pd9 n HIS 87 Cb 0.56 -0.72 -0.10 0.00 -0.00 0.00 0.00 29.99 29.73 1pd9 n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1pd9 s PHE 88 N -2.37 0.24 -0.03 4.41 0.08 -1.07 -5.01 117.98 114.23 1pd9 s PHE 88 Ca -0.23 -0.56 0.04 0.00 0.12 0.00 0.00 56.93 56.31 1pd9 s PHE 88 Cb 0.06 -0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.33 1pd9 s PHE 88 CO 0.46 -0.32 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.93 1pd9 s LEU 89 N -2.03 1.94 0.13 -0.37 2.96 -1.26 -1.11 118.68 118.93 1pd9 s LEU 89 Ca -0.06 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1pd9 s LEU 89 Cb -0.02 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1pd9 s LEU 89 CO -0.04 0.16 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.61 1pd9 s SER 90 N -0.10 1.59 0.05 3.68 0.01 -0.08 -4.93 113.70 113.92 1pd9 s SER 90 Ca 0.00 -0.97 0.12 0.00 1.31 0.00 0.00 55.95 56.41 1pd9 s SER 90 Cb -0.09 0.02 -0.19 0.00 0.21 0.00 0.00 66.02 65.97 1pd9 s SER 90 CO 0.01 -0.35 0.93 0.03 0.41 0.00 0.00 173.24 174.27 1pd9 h ARG 91 N 2.98 0.00 -4.18 12.44 2.47 -1.88 -0.19 114.38 126.02 1pd9 h ARG 91 Ca -0.36 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.07 1pd9 h ARG 91 Cb 1.18 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.42 1pd9 h ARG 91 CO 0.62 0.61 -0.21 -1.54 0.56 0.00 0.00 179.97 180.00 1pd9 s SER 92 N -6.25 0.96 0.20 7.04 1.04 -1.26 -4.45 113.70 110.97 1pd9 s SER 92 Ca -0.02 -1.50 0.07 0.00 0.48 0.00 0.00 55.95 54.98 1pd9 s SER 92 Cb 0.09 0.65 0.10 0.00 0.10 0.00 0.00 66.02 66.96 1pd9 s SER 92 CO 0.82 -1.28 1.46 0.25 0.98 0.00 0.00 173.24 175.47 1pd9 h LEU 93 N 2.12 0.08 -0.14 2.42 6.46 -1.98 -0.97 115.31 123.28 1pd9 h LEU 93 Ca -0.28 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 1pd9 h LEU 93 Cb 1.24 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 1pd9 h LEU 93 CO 0.39 0.83 0.03 0.44 -0.62 0.00 0.00 178.44 179.50 1pd9 h ASP 94 N 0.04 0.22 -0.31 1.25 3.45 -1.98 -1.73 116.42 117.36 1pd9 h ASP 94 Ca -0.02 -0.25 -0.08 0.00 0.43 0.00 0.00 57.03 57.11 1pd9 h ASP 94 Cb 1.38 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 1pd9 h ASP 94 CO 0.11 0.42 -0.13 0.44 -1.57 0.00 0.00 179.24 178.50 1pd9 h ASP 95 N 0.02 0.65 -0.99 6.45 3.32 -1.93 -1.17 116.42 122.78 1pd9 h ASP 95 Ca 0.04 -0.40 0.05 0.00 0.02 0.00 0.00 57.03 56.74 1pd9 h ASP 95 Cb 0.28 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1pd9 h ASP 95 CO 0.00 0.91 0.64 0.00 -1.72 0.00 0.00 179.24 179.07 1pd9 h ALA 96 N 0.77 1.33 0.22 3.45 0.00 -1.00 -2.43 119.26 121.60 1pd9 h ALA 96 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pd9 h ALA 96 Cb 0.65 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1pd9 h ALA 96 CO 0.04 0.50 -0.11 -0.07 0.00 0.00 0.00 179.25 179.62 1pd9 h LEU 97 N 1.22 -0.25 -1.91 0.00 3.38 -1.33 -2.86 115.31 113.56 1pd9 h LEU 97 Ca 0.40 -0.27 0.25 0.00 0.09 0.00 0.00 57.88 58.36 1pd9 h LEU 97 Cb 0.05 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1pd9 h LEU 97 CO -0.14 0.19 0.71 0.11 0.09 0.00 0.00 178.44 179.40 1pd9 h LYS 98 N -0.76 0.00 0.00 1.13 1.57 -1.00 0.57 116.57 118.08 1pd9 h LYS 98 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1pd9 h LYS 98 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1pd9 h LYS 98 CO 0.05 0.00 -0.07 1.25 -0.57 0.00 0.00 179.45 180.11 1pd9 h LEU 99 N 0.00 0.00 -0.73 2.94 6.46 -1.21 -2.46 115.31 120.31 1pd9 h LEU 99 Ca 0.41 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 58.04 1pd9 h LEU 99 Cb 1.82 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.74 1pd9 h LEU 99 CO -0.00 0.07 -0.61 0.74 -0.62 0.00 0.00 178.44 178.02 1pd9 h THR 100 N 0.00 1.41 0.00 1.05 2.02 0.21 -2.51 112.91 115.09 1pd9 h THR 100 Ca -0.00 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1pd9 h THR 100 Cb 0.85 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1pd9 h THR 100 CO 0.01 0.59 -0.19 -0.62 0.37 0.00 0.00 175.52 175.68 1pd9 n GLU 101 N -3.84 0.10 -2.58 6.66 -0.58 -0.87 -1.48 120.64 118.06 1pd9 n GLU 101 Ca -0.02 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.45 1pd9 n GLU 101 Cb 0.61 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 1pd9 n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1pd9 s GLN 102 N -3.05 3.98 0.16 3.49 -1.52 -0.95 -4.82 119.66 116.96 1pd9 s GLN 102 Ca 0.12 1.13 0.11 0.00 -1.95 0.00 0.00 55.36 54.76 1pd9 s GLN 102 Cb 0.16 -2.14 0.58 0.00 -0.22 0.00 0.00 33.01 31.39 1pd9 s GLN 102 CO 0.61 -0.25 1.32 -2.30 -0.25 0.00 0.00 175.29 174.42 1pd9 n PRO 103 N -1.09 0.07 0.00 2.91 -0.02 -1.26 0.03 135.00 135.64 1pd9 n PRO 103 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1pd9 n PRO 103 Cb 0.54 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1pd9 n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pd9 n GLU 104 N -1.87 0.00 0.02 -0.52 1.02 -1.26 -3.89 120.64 114.15 1pd9 n GLU 104 Ca -0.01 0.23 0.11 0.00 -0.02 0.00 0.00 57.16 57.48 1pd9 n GLU 104 Cb 0.02 -1.04 0.09 0.00 -0.02 0.00 0.00 31.44 30.48 1pd9 n GLU 104 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pd9 n LEU 105 N -0.84 0.63 -0.30 -4.62 4.77 -1.17 -4.34 117.00 111.14 1pd9 n LEU 105 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1pd9 n LEU 105 Cb 0.00 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1pd9 n LEU 105 CO 0.00 0.06 0.47 0.00 -1.33 0.00 0.00 177.39 176.59 1pd9 n ALA 106 N -1.72 -0.04 0.64 -1.18 0.00 0.10 0.02 120.51 118.33 1pd9 n ALA 106 Ca 0.03 0.79 0.12 0.00 0.00 0.00 0.00 53.44 54.39 1pd9 n ALA 106 Cb 0.40 -0.38 0.27 0.00 0.00 0.00 0.00 19.45 19.75 1pd9 n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pd9 n ASN 107 N -5.17 0.69 -0.01 0.00 0.23 -1.26 -4.27 115.26 105.46 1pd9 n ASN 107 Ca 0.09 0.26 0.10 0.00 -0.53 0.00 0.00 54.58 54.49 1pd9 n ASN 107 Cb 0.33 -0.17 -0.11 0.00 -2.08 0.00 0.00 39.78 37.74 1pd9 n ASN 107 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1pd9 n LYS 108 N -2.08 0.22 -4.32 -3.83 5.02 0.10 -4.92 118.16 108.35 1pd9 n LYS 108 Ca 0.04 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 1pd9 n LYS 108 Cb 0.42 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 1pd9 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pd9 s VAL 109 N -2.93 4.08 0.00 -0.18 1.01 -0.90 -1.36 120.40 120.11 1pd9 s VAL 109 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1pd9 s VAL 109 Cb 0.16 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1pd9 s VAL 109 CO 0.84 0.49 0.00 -0.67 0.00 0.00 0.00 175.10 175.76 1pd9 n ASP 110 N 3.52 0.00 -4.89 3.32 4.64 0.53 -2.39 116.55 121.27 1pd9 n ASP 110 Ca -0.17 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 52.92 1pd9 n ASP 110 Cb 0.52 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.56 1pd9 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1pd9 s MET 111 N 0.12 3.66 -0.18 -0.67 -1.94 -1.26 0.30 119.30 119.33 1pd9 s MET 111 Ca 0.00 -0.01 -0.03 0.00 -1.71 0.00 0.00 55.69 53.93 1pd9 s MET 111 Cb 0.00 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 1pd9 s MET 111 CO 0.00 0.43 -0.05 0.14 -0.01 0.00 0.00 175.02 175.53 1pd9 s VAL 112 N -1.71 3.62 -0.17 -6.03 -7.23 0.95 -2.30 120.40 107.53 1pd9 s VAL 112 Ca 0.42 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1pd9 s VAL 112 Cb -0.12 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1pd9 s VAL 112 CO 0.24 0.46 -0.04 0.26 -0.31 0.00 0.00 175.10 175.72 1pd9 s TRP 113 N 0.82 3.00 -0.40 2.82 0.52 0.77 -0.10 118.94 126.37 1pd9 s TRP 113 Ca -0.01 -0.41 -0.15 0.00 0.02 0.00 0.00 56.10 55.55 1pd9 s TRP 113 Cb -0.15 -1.99 0.01 0.00 -1.15 0.00 0.00 33.47 30.20 1pd9 s TRP 113 CO 0.02 -0.13 0.32 0.42 0.02 0.00 0.00 176.95 177.59 1pd9 s ILE 114 N 0.59 5.23 -1.16 2.03 1.01 0.37 -0.49 121.20 128.77 1pd9 s ILE 114 Ca -0.03 -0.51 0.16 0.00 0.00 0.00 0.00 60.65 60.28 1pd9 s ILE 114 Cb -0.14 -3.92 0.53 0.00 0.01 0.00 0.00 42.46 38.94 1pd9 s ILE 114 CO 0.03 -0.28 1.45 1.33 0.00 0.00 0.00 174.94 177.46 1pd9 n VAL 115 N 5.21 1.37 0.00 2.92 0.24 -0.66 -2.05 118.33 125.36 1pd9 n VAL 115 Ca -0.10 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1pd9 n VAL 115 Cb 0.48 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1pd9 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pd9 n GLY 116 N 0.85 4.24 0.00 7.63 0.00 -1.26 -4.92 105.19 111.72 1pd9 n GLY 116 Ca 0.20 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1pd9 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pd9 n GLY 117 N -1.83 1.80 0.37 -0.02 0.00 -1.26 -2.13 105.19 102.12 1pd9 n GLY 117 Ca 0.00 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 44.09 1pd9 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pd9 h SER 118 N 0.00 0.96 -0.66 1.61 0.02 -1.98 0.19 113.55 113.68 1pd9 h SER 118 Ca 0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1pd9 h SER 118 Cb 0.00 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1pd9 h SER 118 CO 0.00 0.56 0.26 0.77 -1.14 0.00 0.00 176.83 177.28 1pd9 h SER 119 N 1.06 0.91 -0.18 3.07 4.64 -1.95 1.80 113.55 122.90 1pd9 h SER 119 Ca 0.46 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 1pd9 h SER 119 Cb 0.35 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1pd9 h SER 119 CO -0.21 0.84 -0.06 0.58 -0.87 0.00 0.00 176.83 177.11 1pd9 h VAL 120 N 0.94 1.29 -0.24 0.95 2.07 -1.64 -1.39 116.25 118.23 1pd9 h VAL 120 Ca 0.22 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1pd9 h VAL 120 Cb 0.21 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1pd9 h VAL 120 CO -0.02 0.31 0.09 1.88 0.02 0.00 0.00 177.57 179.86 1pd9 h TYR 121 N 0.07 0.37 -0.47 1.57 0.99 -0.13 -2.51 116.97 116.85 1pd9 h TYR 121 Ca 0.05 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1pd9 h TYR 121 Cb 0.51 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 38.10 1pd9 h TYR 121 CO 0.06 0.40 0.27 -0.22 -0.00 0.00 0.00 178.16 178.66 1pd9 h LYS 122 N 0.23 0.63 0.00 4.88 3.64 0.29 -2.41 116.57 123.83 1pd9 h LYS 122 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1pd9 h LYS 122 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1pd9 h LYS 122 CO -0.01 0.46 -0.23 1.49 -2.27 0.00 0.00 179.45 178.90 1pd9 h GLU 123 N 0.64 0.00 -0.24 1.90 4.57 -1.12 -3.07 114.58 117.26 1pd9 h GLU 123 Ca 0.17 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1pd9 h GLU 123 Cb -0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1pd9 h GLU 123 CO -0.03 0.14 -0.41 0.00 -1.18 0.00 0.00 179.01 177.53 1pd9 h ALA 124 N 1.86 0.84 0.00 2.92 0.00 -0.99 -1.81 119.26 122.08 1pd9 h ALA 124 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1pd9 h ALA 124 Cb 1.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1pd9 h ALA 124 CO 0.02 0.65 -0.05 0.52 0.00 0.00 0.00 179.25 180.39 1pd9 h MET 125 N 0.47 0.00 0.00 0.00 2.86 -1.55 -1.26 114.93 115.46 1pd9 h MET 125 Ca 0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1pd9 h MET 125 Cb 0.91 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1pd9 h MET 125 CO 0.08 0.05 -1.83 0.09 1.06 0.00 0.00 176.91 176.36 1pd9 n ASN 126 N -4.07 0.42 -4.69 1.22 3.02 -1.11 -4.86 115.26 105.19 1pd9 n ASN 126 Ca -0.03 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 1pd9 n ASN 126 Cb 0.13 0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 40.08 1pd9 n ASN 126 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1pd9 n HIS 127 N -2.71 2.63 -2.71 3.10 -0.00 -0.48 -4.92 115.22 110.14 1pd9 n HIS 127 Ca -0.15 -0.18 -0.33 0.00 0.46 0.00 0.00 57.72 57.52 1pd9 n HIS 127 Cb 0.87 -2.74 -0.06 0.00 -0.12 0.00 0.00 29.99 27.94 1pd9 n HIS 127 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1pd9 s PRO 128 N 2.90 4.13 0.00 1.57 0.04 -1.26 -4.87 135.00 137.51 1pd9 s PRO 128 Ca 0.82 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1pd9 s PRO 128 Cb -0.47 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1pd9 s PRO 128 CO 0.37 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1pd9 n GLY 129 N -0.76 0.33 3.75 0.56 0.00 -1.26 -5.01 105.19 102.80 1pd9 n GLY 129 Ca 0.07 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 1pd9 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pd9 s HIS 130 N -0.19 3.91 -0.19 1.61 2.46 -1.26 -3.27 115.29 118.36 1pd9 s HIS 130 Ca 0.00 1.78 -0.20 0.00 0.47 0.00 0.00 55.06 57.11 1pd9 s HIS 130 Cb 0.00 -2.93 0.05 0.00 -0.13 0.00 0.00 32.58 29.58 1pd9 s HIS 130 CO 0.00 0.40 0.55 -1.17 -2.47 0.00 0.00 174.74 172.06 1pd9 s LEU 131 N -0.82 -0.12 -0.02 8.88 2.96 -0.79 -4.52 118.68 124.25 1pd9 s LEU 131 Ca 0.41 1.05 0.06 0.00 -0.22 0.00 0.00 54.13 55.42 1pd9 s LEU 131 Cb -0.24 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.36 1pd9 s LEU 131 CO 0.29 -0.23 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.36 1pd9 s LYS 132 N 0.12 1.62 -0.20 1.98 1.02 -1.24 -0.05 119.74 122.99 1pd9 s LYS 132 Ca -0.01 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 1pd9 s LYS 132 Cb -0.04 -1.54 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1pd9 s LYS 132 CO 0.02 0.39 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.27 1pd9 s LEU 133 N -0.38 2.91 -0.51 3.17 1.02 -0.13 -1.95 118.68 122.81 1pd9 s LEU 133 Ca 0.06 -0.35 -0.16 0.00 0.02 0.00 0.00 54.13 53.70 1pd9 s LEU 133 Cb -0.08 -1.73 0.11 0.00 0.02 0.00 0.00 46.19 44.51 1pd9 s LEU 133 CO -0.00 0.02 0.46 -0.36 0.02 0.00 0.00 176.35 176.49 1pd9 s PHE 134 N 1.22 3.25 -0.17 0.29 0.40 -0.03 -1.26 117.98 121.68 1pd9 s PHE 134 Ca 0.03 -1.17 -0.09 0.00 -0.60 0.00 0.00 56.93 55.10 1pd9 s PHE 134 Cb -0.14 -3.55 -0.05 0.00 0.51 0.00 0.00 43.02 39.79 1pd9 s PHE 134 CO -0.01 -0.93 0.13 0.08 0.70 0.00 0.00 175.22 175.18 1pd9 s VAL 135 N 1.61 5.42 -0.30 -0.44 1.01 0.75 -2.62 120.40 125.83 1pd9 s VAL 135 Ca 0.03 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1pd9 s VAL 135 Cb -0.28 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1pd9 s VAL 135 CO 0.04 0.50 0.12 -0.89 0.00 0.00 0.00 175.10 174.88 1pd9 s THR 136 N -0.11 4.42 -0.29 3.92 2.01 0.08 0.06 115.64 125.73 1pd9 s THR 136 Ca 0.10 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 1pd9 s THR 136 Cb -0.11 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1pd9 s THR 136 CO 0.00 0.11 0.21 -0.13 -0.69 0.00 0.00 174.62 174.12 1pd9 s ARG 137 N 1.59 3.85 -0.27 4.92 1.81 0.07 -1.62 118.95 129.30 1pd9 s ARG 137 Ca 0.04 -0.39 -0.24 0.00 -1.72 0.00 0.00 55.73 53.43 1pd9 s ARG 137 Cb -0.17 -3.69 -0.00 0.00 -0.45 0.00 0.00 34.95 30.64 1pd9 s ARG 137 CO 0.05 -0.24 0.82 0.42 -0.68 0.00 0.00 175.30 175.66 1pd9 s ILE 138 N 1.76 4.81 -1.48 1.52 -1.09 0.60 -1.67 121.20 125.65 1pd9 s ILE 138 Ca 0.07 1.41 -0.08 0.00 -2.23 0.00 0.00 60.65 59.83 1pd9 s ILE 138 Cb -0.16 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1pd9 s ILE 138 CO 0.11 -0.15 2.68 0.23 -1.23 0.00 0.00 174.94 176.58 1pd9 n MET 139 N 6.11 4.14 -3.58 2.79 2.81 0.45 -2.33 117.12 127.52 1pd9 n MET 139 Ca 0.05 -2.82 -0.05 0.00 -1.81 0.00 0.00 57.70 53.07 1pd9 n MET 139 Cb 0.48 -2.72 -0.02 0.00 -0.71 0.00 0.00 33.22 30.25 1pd9 n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1pd9 s GLN 140 N 0.56 0.42 0.16 0.03 -2.07 -1.26 -4.71 119.66 112.78 1pd9 s GLN 140 Ca 0.62 -0.14 -0.27 0.00 -1.82 0.00 0.00 55.36 53.75 1pd9 s GLN 140 Cb 0.18 0.19 -0.08 0.00 -1.09 0.00 0.00 33.01 32.22 1pd9 s GLN 140 CO -0.08 -0.18 0.84 -0.51 -1.32 0.00 0.00 175.29 174.04 1pd9 s ASP 141 N -2.18 7.43 -0.08 12.60 1.01 -1.26 -1.37 116.67 132.82 1pd9 s ASP 141 Ca 0.08 1.70 -0.07 0.00 0.71 0.00 0.00 52.55 54.98 1pd9 s ASP 141 Cb -0.01 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1pd9 s ASP 141 CO -0.05 0.13 0.20 -0.36 0.21 0.00 0.00 175.17 175.29 1pd9 s PHE 142 N -0.83 -0.22 0.08 4.23 0.08 -1.26 -4.98 117.98 115.08 1pd9 s PHE 142 Ca 0.39 0.54 -0.31 0.00 0.12 0.00 0.00 56.93 57.67 1pd9 s PHE 142 Cb -0.23 0.07 -0.10 0.00 -0.57 0.00 0.00 43.02 42.19 1pd9 s PHE 142 CO 0.27 -0.11 1.89 -2.00 -0.10 0.00 0.00 175.22 175.17 1pd9 s GLU 143 N 0.18 4.14 0.28 0.44 2.12 -1.26 -4.80 118.70 119.80 1pd9 s GLU 143 Ca -0.01 2.59 0.02 0.00 0.36 0.00 0.00 54.97 57.94 1pd9 s GLU 143 Cb -0.02 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1pd9 s GLU 143 CO -0.00 -0.89 0.09 -1.12 -0.54 0.00 0.00 175.26 172.79 1pd9 s SER 144 N 3.52 1.56 0.00 -1.70 0.01 -1.26 -4.70 113.70 111.13 1pd9 s SER 144 Ca 0.84 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1pd9 s SER 144 Cb -0.44 0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1pd9 s SER 144 CO 0.39 -0.71 0.00 -0.90 0.41 0.00 0.00 173.24 172.43 1pd9 n ASP 145 N -0.56 0.00 -3.79 2.44 5.68 -0.59 -4.96 116.55 114.77 1pd9 n ASP 145 Ca -0.01 -0.81 -0.13 0.00 -0.50 0.00 0.00 54.79 53.35 1pd9 n ASP 145 Cb 0.66 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.52 1pd9 n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1pd9 s THR 146 N -0.00 -0.01 0.27 2.12 -1.32 -1.19 -5.00 115.64 110.50 1pd9 s THR 146 Ca 0.00 0.05 0.12 0.00 -1.21 0.00 0.00 61.69 60.65 1pd9 s THR 146 Cb 0.00 -0.28 -0.05 0.00 -1.51 0.00 0.00 72.50 70.66 1pd9 s THR 146 CO 0.00 0.02 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.89 1pd9 s PHE 147 N 0.46 2.33 0.15 9.09 0.40 -1.26 -0.62 117.98 128.53 1pd9 s PHE 147 Ca -0.03 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 55.76 1pd9 s PHE 147 Cb -0.04 -1.02 -0.08 0.00 0.51 0.00 0.00 43.02 42.39 1pd9 s PHE 147 CO -0.02 0.70 0.69 0.12 0.70 0.00 0.00 175.22 177.41 1pd9 s PHE 148 N -2.45 3.81 0.80 0.36 5.36 -0.71 -4.61 117.98 120.55 1pd9 s PHE 148 Ca 0.30 1.45 -0.11 0.00 -0.96 0.00 0.00 56.93 57.61 1pd9 s PHE 148 Cb -0.05 -2.64 0.07 0.00 -0.34 0.00 0.00 43.02 40.07 1pd9 s PHE 148 CO 0.15 0.50 1.10 -1.25 -1.46 0.00 0.00 175.22 174.26 1pd9 s PRO 149 N -1.33 2.00 0.33 10.12 0.04 -1.26 -4.97 135.00 139.93 1pd9 s PRO 149 Ca 0.35 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.27 1pd9 s PRO 149 Cb -0.20 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1pd9 s PRO 149 CO 0.23 -1.82 1.11 -2.00 0.04 0.00 0.00 177.00 174.56 1pd9 s GLU 150 N -4.88 4.44 -0.07 4.56 2.12 -1.26 -5.01 118.70 118.60 1pd9 s GLU 150 Ca 0.62 1.77 -0.23 0.00 0.36 0.00 0.00 54.97 57.49 1pd9 s GLU 150 Cb -0.18 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1pd9 s GLU 150 CO 0.56 0.04 0.69 0.42 -0.54 0.00 0.00 175.26 176.44 1pd9 s ILE 151 N -1.30 5.05 -0.59 -3.70 1.01 -1.26 -5.02 121.20 115.39 1pd9 s ILE 151 Ca 0.49 1.43 -0.24 0.00 0.00 0.00 0.00 60.65 62.34 1pd9 s ILE 151 Cb -0.30 -4.03 0.05 0.00 0.01 0.00 0.00 42.46 38.18 1pd9 s ILE 151 CO 0.39 0.25 0.96 -0.62 0.00 0.00 0.00 174.94 175.92 1pd9 s ASP 152 N 0.78 6.27 0.00 3.58 3.68 -1.26 -4.89 116.67 124.84 1pd9 s ASP 152 Ca 0.37 -0.57 0.09 0.00 2.13 0.00 0.00 52.55 54.57 1pd9 s ASP 152 Cb -0.18 -2.43 0.41 0.00 -1.45 0.00 0.00 42.92 39.27 1pd9 s ASP 152 CO 0.18 -1.32 1.26 0.18 0.13 0.00 0.00 175.17 175.60 1pd9 n LEU 153 N 7.61 0.00 0.11 -1.34 4.77 -1.26 -0.38 117.00 126.51 1pd9 n LEU 153 Ca -0.00 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 1pd9 n LEU 153 Cb 0.47 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 41.25 1pd9 n LEU 153 CO 0.64 -0.30 0.38 -0.33 -1.33 0.00 0.00 177.39 176.44 1pd9 h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.37 114.58 116.80 1pd9 h GLU 154 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1pd9 h GLU 154 Cb 0.14 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1pd9 h GLU 154 CO 0.00 0.00 -1.94 1.63 -1.16 0.00 0.00 179.01 177.54 1pd9 n LYS 155 N -2.53 0.80 -4.44 2.33 5.02 0.49 -5.00 118.16 114.83 1pd9 n LYS 155 Ca 0.02 0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 1pd9 n LYS 155 Cb 0.50 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 34.05 1pd9 n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1pd9 s TYR 156 N -2.33 3.02 -0.12 2.13 1.51 0.12 -4.54 117.35 117.15 1pd9 s TYR 156 Ca -0.18 -0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1pd9 s TYR 156 Cb 0.05 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1pd9 s TYR 156 CO 0.43 0.09 0.02 0.15 -1.11 0.00 0.00 175.55 175.13 1pd9 s LYS 157 N -0.00 3.38 -0.16 -0.62 -0.14 -0.47 -4.34 119.74 117.39 1pd9 s LYS 157 Ca 0.01 -0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 53.94 1pd9 s LYS 157 Cb -0.13 -2.95 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1pd9 s LYS 157 CO 0.03 0.53 1.29 -1.17 -0.76 0.00 0.00 175.35 175.27 1pd9 s LEU 158 N -0.40 4.19 0.34 3.17 2.96 -1.26 -0.53 118.68 127.15 1pd9 s LEU 158 Ca 0.08 1.73 -0.26 0.00 -0.22 0.00 0.00 54.13 55.46 1pd9 s LEU 158 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1pd9 s LEU 158 CO 0.02 -0.77 1.05 -0.76 -1.32 0.00 0.00 176.35 174.57 1pd9 s LEU 159 N 3.51 4.33 0.43 -0.68 1.43 0.06 -4.95 118.68 122.82 1pd9 s LEU 159 Ca 0.56 2.10 0.18 0.00 -1.03 0.00 0.00 54.13 55.94 1pd9 s LEU 159 Cb -0.22 -3.94 1.00 0.00 0.03 0.00 0.00 46.19 43.05 1pd9 s LEU 159 CO 0.16 -0.30 1.94 -0.65 0.23 0.00 0.00 176.35 177.72 1pd9 h PRO 160 N 3.11 0.00 -2.14 1.29 0.11 -1.96 -3.44 132.00 128.97 1pd9 h PRO 160 Ca -0.47 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1pd9 h PRO 160 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1pd9 h PRO 160 CO 0.64 0.25 0.55 -1.83 -0.21 0.00 0.00 178.00 177.40 1pd9 s GLU 161 N -4.28 0.85 -0.15 1.05 -1.05 -1.26 -5.06 118.70 108.79 1pd9 s GLU 161 Ca -0.03 -0.39 -0.07 0.00 -0.15 0.00 0.00 54.97 54.33 1pd9 s GLU 161 Cb 0.14 0.34 0.06 0.00 -0.44 0.00 0.00 34.13 34.23 1pd9 s GLU 161 CO 0.68 -0.38 0.34 -0.47 0.95 0.00 0.00 175.26 176.38 1pd9 s TYR 162 N -3.04 -0.52 0.22 4.83 5.04 -1.26 -5.07 117.35 117.54 1pd9 s TYR 162 Ca 0.09 1.13 -0.32 0.00 -2.44 0.00 0.00 57.07 55.52 1pd9 s TYR 162 Cb -0.01 0.17 -0.13 0.00 0.35 0.00 0.00 41.96 42.35 1pd9 s TYR 162 CO -0.05 -0.33 1.60 -0.35 -1.34 0.00 0.00 175.55 175.09 1pd9 n PRO 163 N 4.51 2.44 -0.92 4.97 -0.04 -1.26 -2.24 135.00 142.47 1pd9 n PRO 163 Ca -0.20 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1pd9 n PRO 163 Cb 0.53 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1pd9 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pd9 n GLY 164 N 3.14 0.69 3.23 0.55 0.00 -1.26 -5.04 105.19 106.51 1pd9 n GLY 164 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1pd9 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pd9 s VAL 165 N -2.68 2.47 0.14 1.61 1.01 -0.95 -5.10 120.40 116.90 1pd9 s VAL 165 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1pd9 s VAL 165 Cb 0.00 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1pd9 s VAL 165 CO 0.00 0.52 1.54 -0.76 0.00 0.00 0.00 175.10 176.40 1pd9 s LEU 166 N 0.84 4.37 0.14 3.92 1.02 -1.26 -4.65 118.68 123.06 1pd9 s LEU 166 Ca -0.05 2.53 0.24 0.00 0.02 0.00 0.00 54.13 56.87 1pd9 s LEU 166 Cb -0.15 -3.59 0.25 0.00 0.02 0.00 0.00 46.19 42.71 1pd9 s LEU 166 CO -0.01 -0.80 1.24 0.28 0.02 0.00 0.00 176.35 177.09 1pd9 h SER 167 N 7.00 0.00 -2.00 2.29 0.02 -1.95 -3.38 113.55 115.53 1pd9 h SER 167 Ca -0.42 -0.17 -0.48 0.00 -0.84 0.00 0.00 61.79 59.87 1pd9 h SER 167 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1pd9 h SER 167 CO 0.91 0.09 -0.44 1.51 -1.14 0.00 0.00 176.83 177.75 1pd9 s ASP 168 N -4.50 5.72 0.20 3.07 3.84 -1.26 -4.88 116.67 118.87 1pd9 s ASP 168 Ca 0.05 -0.24 -0.32 0.00 -0.00 0.00 0.00 52.55 52.03 1pd9 s ASP 168 Cb 0.12 -1.33 -0.13 0.00 -1.38 0.00 0.00 42.92 40.20 1pd9 s ASP 168 CO 0.74 -0.23 1.57 0.52 -0.00 0.00 0.00 175.17 177.77 1pd9 n VAL 169 N -1.39 0.33 -3.69 2.11 0.31 -1.26 -4.76 118.33 109.97 1pd9 n VAL 169 Ca -0.05 -0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 63.99 1pd9 n VAL 169 Cb 0.58 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 1pd9 n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1pd9 s GLN 170 N 0.50 2.58 -0.23 5.55 -1.52 0.25 -4.94 119.66 121.85 1pd9 s GLN 170 Ca 0.74 -1.46 -0.13 0.00 -1.95 0.00 0.00 55.36 52.56 1pd9 s GLN 170 Cb -0.62 -2.39 0.07 0.00 -0.22 0.00 0.00 33.01 29.86 1pd9 s GLN 170 CO 0.41 -0.08 0.57 -2.00 -0.25 0.00 0.00 175.29 173.93 1pd9 s GLU 171 N -4.06 0.56 -0.08 2.91 2.12 -1.26 -2.09 118.70 116.80 1pd9 s GLU 171 Ca 0.45 1.05 -0.07 0.00 0.36 0.00 0.00 54.97 56.76 1pd9 s GLU 171 Cb -0.04 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.47 1pd9 s GLU 171 CO 0.27 -0.16 0.21 -2.00 -0.54 0.00 0.00 175.26 173.04 1pd9 s GLU 172 N 1.60 0.24 -1.63 4.30 2.12 0.05 -4.89 118.70 120.49 1pd9 s GLU 172 Ca -0.10 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.37 1pd9 s GLU 172 Cb -0.07 0.09 0.17 0.00 0.26 0.00 0.00 34.13 34.58 1pd9 s GLU 172 CO -0.17 -0.05 0.64 1.63 -0.54 0.00 0.00 175.26 176.78 1pd9 n LYS 173 N 3.12 -2.25 -0.85 4.30 5.02 -1.26 0.15 118.16 126.39 1pd9 n LYS 173 Ca -0.14 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1pd9 n LYS 173 Cb 0.58 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 1pd9 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd9 n GLY 174 N -1.18 0.75 3.51 0.72 0.00 -1.26 -5.02 105.19 102.72 1pd9 n GLY 174 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1pd9 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pd9 s ILE 175 N -2.86 4.31 -0.11 -0.61 1.01 0.40 -5.10 121.20 118.23 1pd9 s ILE 175 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1pd9 s ILE 175 Cb 0.00 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 1pd9 s ILE 175 CO 0.00 0.42 0.23 -0.54 0.00 0.00 0.00 174.94 175.05 1pd9 s LYS 176 N 0.89 3.78 0.05 2.79 1.02 -1.26 -0.77 119.74 126.23 1pd9 s LYS 176 Ca 0.02 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.90 1pd9 s LYS 176 Cb -0.14 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1pd9 s LYS 176 CO 0.02 0.61 0.29 1.52 -0.92 0.00 0.00 175.35 176.88 1pd9 s TYR 177 N -0.63 -0.08 0.08 3.18 -0.85 -0.89 -0.41 117.35 117.76 1pd9 s TYR 177 Ca 0.16 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.63 1pd9 s TYR 177 Cb -0.13 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1pd9 s TYR 177 CO 0.05 -0.51 -0.06 -1.59 -1.52 0.00 0.00 175.55 171.92 1pd9 s LYS 178 N -2.75 0.74 -0.07 -3.49 -2.85 -0.67 0.87 119.74 111.53 1pd9 s LYS 178 Ca -0.04 -1.20 -0.04 0.00 -1.00 0.00 0.00 55.97 53.70 1pd9 s LYS 178 Cb -0.00 -0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.56 1pd9 s LYS 178 CO -0.05 -0.01 0.13 -0.06 0.10 0.00 0.00 175.35 175.46 1pd9 s PHE 179 N -3.17 3.50 0.03 1.78 0.40 -1.26 -0.75 117.98 118.51 1pd9 s PHE 179 Ca 0.06 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.80 1pd9 s PHE 179 Cb 0.02 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1pd9 s PHE 179 CO -0.04 0.66 -0.05 -1.21 0.70 0.00 0.00 175.22 175.28 1pd9 s GLU 180 N -1.40 0.43 -0.06 0.44 2.02 0.11 -4.85 118.70 115.38 1pd9 s GLU 180 Ca 0.20 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.46 1pd9 s GLU 180 Cb -0.12 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.11 1pd9 s GLU 180 CO 0.10 -0.03 -0.10 0.08 0.02 0.00 0.00 175.26 175.33 1pd9 s VAL 181 N -1.78 0.99 0.10 2.63 1.01 -1.26 -0.18 120.40 121.92 1pd9 s VAL 181 Ca -0.11 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1pd9 s VAL 181 Cb -0.08 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1pd9 s VAL 181 CO -0.02 0.32 -0.26 -0.31 0.00 0.00 0.00 175.10 174.83 1pd9 s TYR 182 N 0.69 2.28 -0.01 5.22 1.51 -0.39 -0.76 117.35 125.89 1pd9 s TYR 182 Ca -0.13 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1pd9 s TYR 182 Cb -0.15 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1pd9 s TYR 182 CO 0.03 0.27 -0.03 -2.00 -1.11 0.00 0.00 175.55 172.71 1pd9 s GLU 183 N -1.80 0.26 0.17 -0.62 2.12 0.31 -0.96 118.70 118.19 1pd9 s GLU 183 Ca 0.13 -0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.42 1pd9 s GLU 183 Cb -0.10 -0.28 -0.05 0.00 0.26 0.00 0.00 34.13 33.97 1pd9 s GLU 183 CO 0.05 0.04 -0.09 0.21 -0.54 0.00 0.00 175.26 174.93 1pd9 s LYS 184 N 0.07 1.16 -0.34 4.30 2.20 0.92 -1.36 119.74 126.69 1pd9 s LYS 184 Ca -0.00 -1.52 -0.05 0.00 -0.36 0.00 0.00 55.97 54.04 1pd9 s LYS 184 Cb -0.03 -0.70 0.19 0.00 -1.51 0.00 0.00 37.83 35.77 1pd9 s LYS 184 CO -0.00 0.06 0.94 1.21 -0.36 0.00 0.00 175.35 177.20 1pd9 s ASN 185 N -3.22 -0.65 0.00 1.43 3.04 -1.26 -1.88 114.94 112.40 1pd9 s ASN 185 Ca 0.20 -0.25 0.00 0.00 0.04 0.00 0.00 52.86 52.85 1pd9 s ASN 185 Cb 0.03 0.95 0.00 0.00 -1.54 0.00 0.00 41.25 40.69 1pd9 s ASN 185 CO 0.03 -0.08 0.10 -0.90 -3.04 0.00 0.00 177.10 173.21