#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq0 s GLY 2 N 0.00 2.22 -0.00 4.50 0.00 0.31 -2.92 107.32 111.43 1aq0 s GLY 2 Ca 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 44.72 42.70 1aq0 s GLY 2 CO 0.00 -1.87 -0.03 0.14 0.00 0.00 0.00 173.10 171.35 1aq0 s VAL 3 N -2.55 0.23 -0.10 1.40 1.01 -0.29 -1.07 120.40 119.03 1aq0 s VAL 3 Ca 0.40 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.00 1aq0 s VAL 3 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1aq0 s VAL 3 CO 0.23 0.07 0.92 0.00 0.00 0.00 0.00 175.10 176.32 1aq0 s TYR 5 N 1.71 4.08 0.33 0.00 5.04 -0.18 -1.09 117.35 127.25 1aq0 s TYR 5 Ca 0.45 -2.56 -0.27 0.00 -2.44 0.00 0.00 57.07 52.26 1aq0 s TYR 5 Cb -0.18 -3.96 -0.09 0.00 0.35 0.00 0.00 41.96 38.07 1aq0 s TYR 5 CO 0.18 -1.07 1.04 0.20 -1.34 0.00 0.00 175.55 174.57 1aq0 s GLY 6 N 1.70 2.89 -0.12 8.97 0.00 -1.26 -4.59 107.32 114.91 1aq0 s GLY 6 Ca 0.34 0.73 0.15 0.00 0.00 0.00 0.00 44.72 45.93 1aq0 s GLY 6 CO -0.06 1.23 1.15 1.03 0.00 0.00 0.00 173.10 176.45 1aq0 n MET 7 N 0.59 1.08 -1.95 2.90 0.00 -1.26 -4.80 117.12 113.69 1aq0 n MET 7 Ca 0.02 -2.51 -0.42 0.00 0.00 0.00 0.00 57.70 54.79 1aq0 n MET 7 Cb 0.48 -1.28 -0.00 0.00 0.00 0.00 0.00 33.22 32.42 1aq0 n MET 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1aq0 n SER 8 N -1.00 5.20 -3.55 7.83 7.64 -1.26 -4.83 113.62 123.65 1aq0 n SER 8 Ca 0.14 -2.95 -0.11 0.00 1.01 0.00 0.00 58.87 56.96 1aq0 n SER 8 Cb 0.70 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 1aq0 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aq0 s ALA 9 N 1.60 -1.42 -0.49 -0.43 0.00 -1.26 -1.62 121.76 118.13 1aq0 s ALA 9 Ca 0.47 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.72 1aq0 s ALA 9 Cb 0.13 0.87 0.16 0.00 0.00 0.00 0.00 23.12 24.27 1aq0 s ALA 9 CO -0.05 -0.81 1.12 0.27 0.00 0.00 0.00 175.76 176.29 1aq0 n ASN 10 N -0.38 2.46 -0.95 0.00 0.23 -1.26 -4.67 115.26 110.69 1aq0 n ASN 10 Ca -0.14 -1.98 0.04 0.00 -0.53 0.00 0.00 54.58 51.97 1aq0 n ASN 10 Cb 0.64 -0.12 0.06 0.00 -2.08 0.00 0.00 39.78 38.27 1aq0 n ASN 10 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1aq0 n ASN 11 N 0.04 0.97 -4.87 0.53 6.94 -1.26 -5.10 115.26 112.51 1aq0 n ASN 11 Ca 0.06 -2.41 -0.31 0.00 -0.02 0.00 0.00 54.58 51.91 1aq0 n ASN 11 Cb 0.34 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 1aq0 n ASN 11 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1aq0 s LEU 12 N -0.79 3.59 0.89 -4.53 1.43 -1.26 -4.79 118.68 113.22 1aq0 s LEU 12 Ca 0.25 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1aq0 s LEU 12 Cb 0.27 -4.26 0.13 0.00 0.03 0.00 0.00 46.19 42.36 1aq0 s LEU 12 CO -0.09 -0.60 1.10 -2.84 0.23 0.00 0.00 176.35 174.15 1aq0 s PRO 13 N -4.37 1.25 0.69 1.29 0.02 -1.26 -4.99 135.00 127.63 1aq0 s PRO 13 Ca 0.54 1.13 -0.15 0.00 0.02 0.00 0.00 61.00 62.54 1aq0 s PRO 13 Cb -0.10 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.65 1aq0 s PRO 13 CO 0.39 -2.34 1.14 0.00 -0.33 0.00 0.00 177.00 175.86 1aq0 s ALA 14 N -2.79 2.33 0.24 -1.55 0.00 -1.26 -4.80 121.76 113.93 1aq0 s ALA 14 Ca 0.64 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 1aq0 s ALA 14 Cb -0.20 -3.36 0.46 0.00 0.00 0.00 0.00 23.12 20.01 1aq0 s ALA 14 CO 0.58 -1.52 1.68 0.00 0.00 0.00 0.00 175.76 176.50 1aq0 h ALA 15 N -0.17 0.92 0.00 0.00 0.00 -1.94 -0.95 119.26 117.12 1aq0 h ALA 15 Ca -0.47 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1aq0 h ALA 15 Cb 1.26 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1aq0 h ALA 15 CO 0.52 -0.36 -0.23 0.66 0.00 0.00 0.00 179.25 179.85 1aq0 h SER 16 N 0.24 0.00 -0.17 0.00 4.64 -1.92 -0.04 113.55 116.31 1aq0 h SER 16 Ca 0.41 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.61 1aq0 h SER 16 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1aq0 h SER 16 CO -0.53 0.23 -0.37 0.74 -0.87 0.00 0.00 176.83 176.03 1aq0 h THR 17 N 0.00 1.35 -0.47 2.95 2.02 -1.55 -2.27 112.91 114.94 1aq0 h THR 17 Ca -0.00 -1.62 -0.03 0.00 0.77 0.00 0.00 66.41 65.53 1aq0 h THR 17 Cb 0.48 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1aq0 h THR 17 CO 0.03 0.49 0.19 0.58 0.37 0.00 0.00 175.52 177.18 1aq0 h VAL 18 N 0.19 1.21 -0.76 3.16 2.07 -0.86 -0.52 116.25 120.74 1aq0 h VAL 18 Ca 0.00 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1aq0 h VAL 18 Cb 0.97 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1aq0 h VAL 18 CO 0.08 0.24 0.50 0.58 0.02 0.00 0.00 177.57 178.99 1aq0 h VAL 19 N 0.61 1.13 -0.32 2.57 2.07 -1.02 -0.94 116.25 120.35 1aq0 h VAL 19 Ca 0.16 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 1aq0 h VAL 19 Cb 0.19 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1aq0 h VAL 19 CO -0.01 0.17 -0.36 -1.28 0.02 0.00 0.00 177.57 176.11 1aq0 h SER 20 N 0.95 0.77 -0.58 0.57 0.87 -0.78 -2.27 113.55 113.08 1aq0 h SER 20 Ca 0.30 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1aq0 h SER 20 Cb 0.01 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1aq0 h SER 20 CO -0.08 1.06 0.16 0.24 -0.53 0.00 0.00 176.83 177.67 1aq0 h MET 21 N 0.61 0.96 0.06 2.24 2.07 0.10 -0.21 114.93 120.76 1aq0 h MET 21 Ca 0.06 -0.21 -0.00 0.00 -2.07 0.00 0.00 59.70 57.48 1aq0 h MET 21 Cb 0.90 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.49 1aq0 h MET 21 CO 0.08 0.85 -0.04 0.74 1.07 0.00 0.00 176.91 179.61 1aq0 h PHE 22 N 0.92 -0.11 -0.42 -0.22 -1.00 -0.93 -1.28 116.94 113.91 1aq0 h PHE 22 Ca 0.20 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 1aq0 h PHE 22 Cb 0.32 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1aq0 h PHE 22 CO 0.02 -0.07 0.25 0.87 -1.61 0.00 0.00 178.31 177.77 1aq0 h LYS 23 N -0.10 0.57 0.00 1.51 1.79 -1.07 -1.15 116.57 118.11 1aq0 h LYS 23 Ca -0.00 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1aq0 h LYS 23 Cb 0.09 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1aq0 h LYS 23 CO -0.00 0.43 -0.36 0.66 -1.08 0.00 0.00 179.45 179.09 1aq0 h SER 24 N 0.55 0.00 0.33 0.86 4.64 -0.93 -2.99 113.55 116.02 1aq0 h SER 24 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1aq0 h SER 24 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1aq0 h SER 24 CO -0.03 0.36 -0.31 0.59 -0.87 0.00 0.00 176.83 176.57 1aq0 n ASN 25 N -3.80 0.82 0.00 4.97 3.02 -0.49 -4.96 115.26 114.82 1aq0 n ASN 25 Ca -0.01 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1aq0 n ASN 25 Cb 0.44 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1aq0 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aq0 n GLY 26 N 1.38 0.38 3.63 7.41 0.00 -0.69 -4.47 105.19 112.83 1aq0 n GLY 26 Ca 0.10 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1aq0 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aq0 s ILE 27 N -2.00 4.75 0.09 -0.61 1.01 -0.52 -4.85 121.20 119.07 1aq0 s ILE 27 Ca 0.00 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.24 1aq0 s ILE 27 Cb 0.00 -4.20 -0.19 0.00 0.01 0.00 0.00 42.46 38.08 1aq0 s ILE 27 CO 0.00 -0.22 1.24 0.11 0.00 0.00 0.00 174.94 176.08 1aq0 h LYS 28 N 7.88 0.00 -5.21 2.79 1.57 -1.84 -3.41 116.57 118.35 1aq0 h LYS 28 Ca -0.23 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.18 1aq0 h LYS 28 Cb 1.08 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.20 1aq0 h LYS 28 CO 0.92 0.92 -0.75 -1.12 -0.57 0.00 0.00 179.45 178.84 1aq0 s SER 29 N -6.64 1.68 -0.03 0.86 0.01 -1.22 -1.29 113.70 107.07 1aq0 s SER 29 Ca 0.01 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.54 1aq0 s SER 29 Cb 0.10 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1aq0 s SER 29 CO 0.82 -0.17 -0.08 -0.32 0.41 0.00 0.00 173.24 173.89 1aq0 s MET 30 N -2.41 0.92 -0.20 12.44 1.75 0.23 -1.14 119.30 130.90 1aq0 s MET 30 Ca 0.04 -0.28 -0.04 0.00 -1.25 0.00 0.00 55.69 54.16 1aq0 s MET 30 Cb -0.06 -0.86 -0.02 0.00 2.84 0.00 0.00 34.83 36.73 1aq0 s MET 30 CO 0.02 0.10 -0.04 0.50 -0.65 0.00 0.00 175.02 174.95 1aq0 s ARG 31 N 0.23 3.48 -0.06 4.11 3.52 -0.56 -1.08 118.95 128.59 1aq0 s ARG 31 Ca -0.03 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1aq0 s ARG 31 Cb -0.09 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 1aq0 s ARG 31 CO 0.00 -0.05 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.92 1aq0 s LEU 32 N 1.10 3.43 0.00 -0.88 1.43 0.33 -1.01 118.68 123.09 1aq0 s LEU 32 Ca 0.02 0.06 0.26 0.00 -1.03 0.00 0.00 54.13 53.43 1aq0 s LEU 32 Cb -0.15 -1.81 0.62 0.00 0.03 0.00 0.00 46.19 44.88 1aq0 s LEU 32 CO 0.00 0.35 1.48 -1.22 0.23 0.00 0.00 176.35 177.20 1aq0 n TYR 33 N 2.01 0.00 -3.52 0.29 4.02 -1.26 -1.40 117.16 117.29 1aq0 n TYR 33 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.58 1aq0 n TYR 33 Cb 0.53 -0.17 -0.04 0.00 -0.02 0.00 0.00 39.34 39.63 1aq0 n TYR 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1aq0 s ALA 34 N -2.73 -1.44 -1.38 -0.72 0.00 -1.25 -3.91 121.76 110.33 1aq0 s ALA 34 Ca 0.18 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 1aq0 s ALA 34 Cb 0.18 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1aq0 s ALA 34 CO 0.61 -0.58 2.45 -0.35 0.00 0.00 0.00 175.76 177.89 1aq0 n PRO 35 N 0.17 2.92 -1.70 0.00 -0.04 -1.25 -4.64 135.00 130.47 1aq0 n PRO 35 Ca -0.18 -2.23 -0.42 0.00 -0.04 0.00 0.00 63.50 60.63 1aq0 n PRO 35 Cb 0.62 -2.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1aq0 n PRO 35 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1aq0 s ASN 36 N 3.05 6.37 0.21 3.54 3.84 -1.26 -4.89 114.94 125.80 1aq0 s ASN 36 Ca 0.56 2.56 -0.09 0.00 0.21 0.00 0.00 52.86 56.10 1aq0 s ASN 36 Cb 0.15 -2.53 0.24 0.00 -0.55 0.00 0.00 41.25 38.56 1aq0 s ASN 36 CO -0.05 -1.13 1.83 -0.61 -2.79 0.00 0.00 177.10 174.34 1aq0 h GLN 37 N 10.95 0.77 0.01 0.43 4.15 -1.99 -1.07 115.11 128.36 1aq0 h GLN 37 Ca -0.48 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 1aq0 h GLN 37 Cb 1.23 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1aq0 h GLN 37 CO 0.94 0.51 -0.00 0.00 -1.93 0.00 0.00 178.83 178.35 1aq0 h ALA 38 N 1.34 -0.01 -0.56 3.38 0.00 -1.99 -0.23 119.26 121.20 1aq0 h ALA 38 Ca 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1aq0 h ALA 38 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1aq0 h ALA 38 CO -0.16 -0.50 0.27 0.00 0.00 0.00 0.00 179.25 178.86 1aq0 h ALA 39 N 0.97 0.72 -0.54 0.00 0.00 -1.88 -1.80 119.26 116.73 1aq0 h ALA 39 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1aq0 h ALA 39 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1aq0 h ALA 39 CO 0.00 0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1aq0 h LEU 40 N 0.75 0.95 -0.85 0.00 3.38 -1.02 -0.36 115.31 118.16 1aq0 h LEU 40 Ca 0.19 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1aq0 h LEU 40 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1aq0 h LEU 40 CO -0.02 1.04 -0.26 1.56 0.09 0.00 0.00 178.44 180.84 1aq0 h GLN 41 N 0.88 0.55 0.02 1.13 4.20 -0.90 -3.10 115.11 117.88 1aq0 h GLN 41 Ca 0.15 -0.22 -0.22 0.00 0.06 0.00 0.00 58.65 58.42 1aq0 h GLN 41 Cb 0.59 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1aq0 h GLN 41 CO 0.04 0.77 -1.02 0.00 -0.67 0.00 0.00 178.83 177.95 1aq0 h ALA 42 N 1.23 0.34 0.00 3.87 0.00 -1.04 -3.32 119.26 120.35 1aq0 h ALA 42 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1aq0 h ALA 42 Cb 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1aq0 h ALA 42 CO 0.05 1.18 -0.25 1.55 0.00 0.00 0.00 179.25 181.78 1aq0 n VAL 43 N -3.41 0.36 -1.88 0.00 3.14 -0.17 -4.87 118.33 111.50 1aq0 n VAL 43 Ca -0.01 -0.21 -0.42 0.00 -2.96 0.00 0.00 64.34 60.74 1aq0 n VAL 43 Cb 0.93 -0.34 -0.02 0.00 -1.06 0.00 0.00 33.84 33.35 1aq0 n VAL 43 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1aq0 s GLY 44 N -3.45 1.84 -0.12 7.55 0.00 -1.17 -2.77 107.32 109.19 1aq0 s GLY 44 Ca 0.10 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.26 1aq0 s GLY 44 CO 0.64 2.56 0.00 0.61 0.00 0.00 0.00 173.10 176.91 1aq0 n GLY 45 N 2.99 0.50 0.00 0.20 0.00 -0.34 -4.90 105.19 103.63 1aq0 n GLY 45 Ca 0.11 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1aq0 n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aq0 n THR 46 N -2.93 0.00 -0.46 2.61 -2.24 -1.12 -4.99 114.28 105.15 1aq0 n THR 46 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1aq0 n THR 46 Cb 0.06 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1aq0 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aq0 n GLY 47 N 1.42 1.14 3.70 3.38 0.00 -1.26 -5.02 105.19 108.54 1aq0 n GLY 47 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1aq0 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aq0 s ILE 48 N -3.11 4.78 0.28 -0.61 1.01 -1.26 -4.99 121.20 117.29 1aq0 s ILE 48 Ca 0.00 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.37 1aq0 s ILE 48 Cb 0.00 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1aq0 s ILE 48 CO 0.00 0.09 1.14 0.20 0.00 0.00 0.00 174.94 176.38 1aq0 s ASN 49 N 1.06 7.17 -0.07 3.58 0.01 -0.41 -4.28 114.94 121.99 1aq0 s ASN 49 Ca 0.51 2.33 0.05 0.00 -0.71 0.00 0.00 52.86 55.04 1aq0 s ASN 49 Cb -0.20 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 38.82 1aq0 s ASN 49 CO 0.24 -0.23 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.68 1aq0 s VAL 50 N -1.01 1.93 -0.27 1.60 1.01 0.10 -0.60 120.40 123.16 1aq0 s VAL 50 Ca 0.46 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1aq0 s VAL 50 Cb -0.33 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 1aq0 s VAL 50 CO 0.42 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.42 1aq0 s VAL 51 N 0.11 3.91 -0.11 2.92 1.01 -0.24 -0.41 120.40 127.58 1aq0 s VAL 51 Ca -0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1aq0 s VAL 51 Cb -0.15 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1aq0 s VAL 51 CO 0.06 0.22 -0.06 0.54 0.00 0.00 0.00 175.10 175.86 1aq0 s VAL 52 N 1.52 3.73 0.13 2.92 0.11 -0.66 -0.51 120.40 127.64 1aq0 s VAL 52 Ca 0.04 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1aq0 s VAL 52 Cb -0.16 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 1aq0 s VAL 52 CO 0.01 0.54 0.20 -0.83 -3.33 0.00 0.00 175.10 171.69 1aq0 s GLY 53 N -0.16 1.85 -0.36 6.54 0.00 -0.49 -0.43 107.32 114.26 1aq0 s GLY 53 Ca 0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.59 1aq0 s GLY 53 CO 0.03 -1.04 0.19 0.00 0.00 0.00 0.00 173.10 172.28 1aq0 s ALA 54 N -1.65 3.27 0.78 3.20 0.00 -0.07 -3.75 121.76 123.55 1aq0 s ALA 54 Ca 0.33 -1.66 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 1aq0 s ALA 54 Cb -0.11 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.51 1aq0 s ALA 54 CO 0.26 -1.30 1.06 -0.35 0.00 0.00 0.00 175.76 175.43 1aq0 n PRO 55 N 4.99 0.29 0.01 0.00 -0.04 -1.25 -1.45 135.00 137.55 1aq0 n PRO 55 Ca -0.12 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1aq0 n PRO 55 Cb 0.47 -2.32 0.61 0.00 -0.04 0.00 0.00 33.50 32.22 1aq0 n PRO 55 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1aq0 h ASN 56 N -0.68 0.13 0.82 3.54 2.35 -1.92 -1.80 115.58 118.03 1aq0 h ASN 56 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1aq0 h ASN 56 Cb 1.31 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1aq0 h ASN 56 CO 0.46 0.08 0.00 -0.90 -1.65 0.00 0.00 177.43 175.42 1aq0 n ASP 57 N -4.44 0.72 -0.53 5.81 5.75 -1.26 -2.71 116.55 119.89 1aq0 n ASP 57 Ca 0.08 0.67 0.10 0.00 -0.01 0.00 0.00 54.79 55.62 1aq0 n ASP 57 Cb 0.43 -0.82 0.01 0.00 -1.03 0.00 0.00 41.12 39.71 1aq0 n ASP 57 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1aq0 n VAL 58 N -2.29 0.00 -0.15 2.12 0.24 -0.68 -4.59 118.33 112.99 1aq0 n VAL 58 Ca 0.02 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.34 61.96 1aq0 n VAL 58 Cb 0.25 1.28 0.06 0.00 -1.47 0.00 0.00 33.84 33.96 1aq0 n VAL 58 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1aq0 h LEU 59 N 2.60 0.05 -0.76 1.34 4.07 -1.54 -1.67 115.31 119.39 1aq0 h LEU 59 Ca 0.00 0.08 0.08 0.00 0.08 0.00 0.00 57.88 58.12 1aq0 h LEU 59 Cb 0.72 0.09 -0.07 0.00 1.08 0.00 0.00 40.66 42.49 1aq0 h LEU 59 CO 0.00 0.06 0.43 0.28 -1.08 0.00 0.00 178.44 178.13 1aq0 h SER 60 N 0.26 0.62 -0.32 -0.43 0.02 -1.81 -0.33 113.55 111.57 1aq0 h SER 60 Ca 0.23 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1aq0 h SER 60 Cb 0.29 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1aq0 h SER 60 CO -0.29 0.37 -0.09 -1.13 -1.14 0.00 0.00 176.83 174.55 1aq0 h ASN 61 N 0.75 0.63 0.03 3.07 -1.24 -1.69 -0.30 115.58 116.83 1aq0 h ASN 61 Ca 0.36 -0.37 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 1aq0 h ASN 61 Cb 0.29 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1aq0 h ASN 61 CO -0.22 0.86 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.50 1aq0 h LEU 62 N 0.39 0.30 0.10 0.34 3.38 -0.87 -1.51 115.31 117.44 1aq0 h LEU 62 Ca 0.08 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1aq0 h LEU 62 Cb 0.59 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1aq0 h LEU 62 CO 0.03 0.52 -1.05 0.00 0.09 0.00 0.00 178.44 178.04 1aq0 h ALA 63 N 1.51 -0.00 -0.18 1.53 0.00 -0.97 -3.36 119.26 117.78 1aq0 h ALA 63 Ca 0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 1aq0 h ALA 63 Cb 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aq0 h ALA 63 CO 0.03 0.57 -0.54 0.00 0.00 0.00 0.00 179.25 179.32 1aq0 h ALA 64 N 0.26 0.73 -3.33 0.00 0.00 -0.91 -3.43 119.26 112.58 1aq0 h ALA 64 Ca -0.16 -0.51 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 1aq0 h ALA 64 Cb 1.75 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 19.06 1aq0 h ALA 64 CO 0.20 0.69 -0.77 0.45 0.00 0.00 0.00 179.25 179.81 1aq0 s SER 65 N -6.91 2.87 0.55 0.00 0.15 -0.58 -4.99 113.70 104.79 1aq0 s SER 65 Ca -0.07 -0.75 0.25 0.00 0.70 0.00 0.00 55.95 56.08 1aq0 s SER 65 Cb 0.11 -0.73 1.58 0.00 -1.71 0.00 0.00 66.02 65.28 1aq0 s SER 65 CO 0.84 -0.26 2.18 1.55 1.20 0.00 0.00 173.24 178.75 1aq0 h PRO 66 N 8.19 0.00 -0.50 5.44 0.13 -1.84 -0.36 132.00 143.06 1aq0 h PRO 66 Ca -0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.83 1aq0 h PRO 66 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1aq0 h PRO 66 CO 0.35 0.03 -0.12 0.00 -0.23 0.00 0.00 178.00 178.04 1aq0 h ALA 67 N 1.97 0.68 -0.39 -0.56 0.00 -1.94 -1.12 119.26 117.90 1aq0 h ALA 67 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1aq0 h ALA 67 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1aq0 h ALA 67 CO 0.00 0.60 0.12 0.00 0.00 0.00 0.00 179.25 179.97 1aq0 h ALA 68 N 0.90 1.48 -0.46 0.00 0.00 -1.39 -0.43 119.26 119.36 1aq0 h ALA 68 Ca 0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1aq0 h ALA 68 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1aq0 h ALA 68 CO 0.05 0.39 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 1aq0 h ALA 69 N 1.58 0.65 -0.26 0.00 0.00 -0.84 0.25 119.26 120.63 1aq0 h ALA 69 Ca 0.13 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1aq0 h ALA 69 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1aq0 h ALA 69 CO -0.01 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 1aq0 h ALA 70 N 0.85 1.11 -0.32 0.00 0.00 -0.54 -1.18 119.26 119.17 1aq0 h ALA 70 Ca 0.10 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1aq0 h ALA 70 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1aq0 h ALA 70 CO 0.07 0.55 -0.45 1.03 0.00 0.00 0.00 179.25 180.46 1aq0 h SER 71 N 0.44 0.94 -0.42 0.00 0.87 -0.85 -0.90 113.55 113.63 1aq0 h SER 71 Ca 0.07 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1aq0 h SER 71 Cb 0.65 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1aq0 h SER 71 CO 0.05 1.26 0.23 -0.25 -0.53 0.00 0.00 176.83 177.58 1aq0 h TRP 72 N 0.64 0.57 -0.73 2.24 7.01 -0.62 -0.62 115.95 124.44 1aq0 h TRP 72 Ca 0.03 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 1aq0 h TRP 72 Cb 1.05 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1aq0 h TRP 72 CO 0.07 0.44 0.22 0.28 -2.79 0.00 0.00 178.44 176.66 1aq0 h VAL 73 N 0.54 1.26 -0.22 2.65 2.07 -1.14 -0.50 116.25 120.91 1aq0 h VAL 73 Ca 0.15 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1aq0 h VAL 73 Cb 0.06 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1aq0 h VAL 73 CO -0.02 0.36 0.00 0.50 0.02 0.00 0.00 177.57 178.43 1aq0 h LYS 74 N 1.10 0.38 0.00 1.57 3.64 -0.73 0.11 116.57 122.63 1aq0 h LYS 74 Ca 0.24 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1aq0 h LYS 74 Cb 0.32 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1aq0 h LYS 74 CO -0.01 0.57 -0.77 0.77 -2.27 0.00 0.00 179.45 177.74 1aq0 h SER 75 N 0.15 0.00 0.00 4.20 0.02 -1.07 -2.44 113.55 114.41 1aq0 h SER 75 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1aq0 h SER 75 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1aq0 h SER 75 CO 0.01 0.77 -0.86 0.59 -1.14 0.00 0.00 176.83 176.20 1aq0 n ASN 76 N -3.63 1.33 0.03 3.07 3.02 -0.20 -4.52 115.26 114.35 1aq0 n ASN 76 Ca -0.01 -0.45 -0.01 0.00 -0.03 0.00 0.00 54.58 54.09 1aq0 n ASN 76 Cb 0.74 1.18 -0.00 0.00 -0.61 0.00 0.00 39.78 41.09 1aq0 n ASN 76 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1aq0 n ILE 77 N -1.48 1.15 0.26 2.41 2.08 0.23 -4.74 119.36 119.27 1aq0 n ILE 77 Ca 0.00 0.34 0.12 0.00 0.56 0.00 0.00 62.75 63.78 1aq0 n ILE 77 Cb 0.20 -1.63 0.78 0.00 -0.75 0.00 0.00 39.64 38.24 1aq0 n ILE 77 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1aq0 h GLN 78 N -0.12 0.00 0.00 0.38 4.20 -1.20 -1.58 115.11 116.79 1aq0 h GLN 78 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aq0 h GLN 78 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1aq0 h GLN 78 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1aq0 n ALA 79 N -2.43 1.69 -3.35 3.87 0.00 -0.92 -3.84 120.51 115.53 1aq0 n ALA 79 Ca -0.02 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 1aq0 n ALA 79 Cb 0.12 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1aq0 n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1aq0 n TYR 80 N -1.49 2.10 0.31 0.00 4.01 -0.59 -4.94 117.16 116.56 1aq0 n TYR 80 Ca 0.04 -3.93 0.18 0.00 -0.16 0.00 0.00 57.90 54.02 1aq0 n TYR 80 Cb 0.17 -0.47 1.02 0.00 -0.31 0.00 0.00 39.34 39.75 1aq0 n TYR 80 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1aq0 h PRO 81 N 4.18 0.00 0.00 -0.72 0.13 -1.75 -2.20 132.00 131.63 1aq0 h PRO 81 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1aq0 h PRO 81 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1aq0 h PRO 81 CO 0.69 0.00 -0.14 1.63 -0.23 0.00 0.00 178.00 179.95 1aq0 n LYS 82 N -3.58 0.13 -2.84 0.86 5.02 -1.26 -4.87 118.16 111.62 1aq0 n LYS 82 Ca -0.03 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1aq0 n LYS 82 Cb 0.09 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 1aq0 n LYS 82 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aq0 s VAL 83 N -3.06 4.64 -1.28 -0.18 1.01 -0.83 -1.20 120.40 119.50 1aq0 s VAL 83 Ca 0.11 1.87 -0.14 0.00 0.00 0.00 0.00 61.98 63.82 1aq0 s VAL 83 Cb 0.16 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.43 1aq0 s VAL 83 CO 0.60 0.32 1.71 -1.20 0.00 0.00 0.00 175.10 176.53 1aq0 n SER 84 N 2.91 4.95 -4.75 3.32 7.64 -1.26 -4.98 113.62 121.44 1aq0 n SER 84 Ca 0.00 -2.97 -0.41 0.00 1.01 0.00 0.00 58.87 56.50 1aq0 n SER 84 Cb 0.50 -1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 1aq0 n SER 84 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1aq0 s PHE 85 N 2.30 3.25 -0.10 1.43 0.08 -1.26 -0.72 117.98 122.96 1aq0 s PHE 85 Ca 0.46 1.31 -0.06 0.00 0.12 0.00 0.00 56.93 58.76 1aq0 s PHE 85 Cb 0.04 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 1aq0 s PHE 85 CO 0.01 -1.74 -0.15 -2.13 -0.10 0.00 0.00 175.22 171.11 1aq0 n ARG 86 N 2.11 0.24 -4.06 0.44 0.63 0.45 -4.82 116.66 111.65 1aq0 n ARG 86 Ca 0.04 0.10 -0.09 0.00 -0.92 0.00 0.00 57.85 56.99 1aq0 n ARG 86 Cb 0.43 -0.91 -0.11 0.00 0.45 0.00 0.00 32.46 32.32 1aq0 n ARG 86 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1aq0 s TYR 87 N -2.25 0.51 -0.28 -0.14 2.02 -1.21 -2.76 117.35 113.23 1aq0 s TYR 87 Ca -0.15 -0.80 -0.02 0.00 -0.37 0.00 0.00 57.07 55.73 1aq0 s TYR 87 Cb 0.05 -0.34 0.04 0.00 -0.40 0.00 0.00 41.96 41.30 1aq0 s TYR 87 CO 0.20 -0.25 -0.02 0.08 -1.57 0.00 0.00 175.55 173.99 1aq0 s VAL 88 N -2.75 3.03 -0.49 0.71 1.01 -0.18 -1.65 120.40 120.09 1aq0 s VAL 88 Ca -0.02 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.61 1aq0 s VAL 88 Cb -0.01 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.79 1aq0 s VAL 88 CO -0.05 0.04 0.57 0.00 0.00 0.00 0.00 175.10 175.66 1aq0 s VAL 90 N 2.45 4.14 0.00 0.00 1.01 0.11 -0.89 120.40 127.21 1aq0 s VAL 90 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1aq0 s VAL 90 Cb -0.19 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1aq0 s VAL 90 CO 0.12 -1.49 0.00 0.61 0.00 0.00 0.00 175.10 174.34 1aq0 n GLY 91 N 5.28 -1.19 2.67 4.51 0.00 -0.53 -4.47 105.19 111.46 1aq0 n GLY 91 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 1aq0 n GLY 91 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aq0 s ASN 92 N -2.36 2.27 -1.40 1.61 2.47 -1.26 -3.12 114.94 113.15 1aq0 s ASN 92 Ca 0.00 -0.53 -0.06 0.00 0.42 0.00 0.00 52.86 52.70 1aq0 s ASN 92 Cb 0.00 -0.35 0.03 0.00 -1.45 0.00 0.00 41.25 39.48 1aq0 s ASN 92 CO 0.00 -0.31 0.80 -0.62 -3.72 0.00 0.00 177.10 173.26 1aq0 n GLU 93 N 5.20 -5.12 -1.81 0.43 1.02 0.28 -4.89 120.64 115.75 1aq0 n GLU 93 Ca -0.07 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.26 1aq0 n GLU 93 Cb 0.49 -5.28 -0.01 0.00 -0.02 0.00 0.00 31.44 26.62 1aq0 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1aq0 s VAL 94 N -3.54 2.13 0.16 2.62 1.01 -1.26 -4.97 120.40 116.55 1aq0 s VAL 94 Ca 0.27 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 1aq0 s VAL 94 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1aq0 s VAL 94 CO 0.82 0.02 0.06 0.00 0.00 0.00 0.00 175.10 176.01 1aq0 s ALA 95 N -0.23 1.07 0.00 5.51 0.00 -1.26 -4.82 121.76 122.02 1aq0 s ALA 95 Ca 0.61 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1aq0 s ALA 95 Cb -0.47 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1aq0 s ALA 95 CO 0.50 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1aq0 n GLY 96 N -0.18 0.83 0.27 0.00 0.00 -1.26 -3.31 105.19 101.54 1aq0 n GLY 96 Ca -0.04 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.35 1aq0 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aq0 h GLY 97 N 0.00 0.00 2.00 -0.02 0.00 -2.04 -2.86 103.07 100.14 1aq0 h GLY 97 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aq0 h GLY 97 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1aq0 h ALA 98 N 1.92 1.38 0.00 3.60 0.00 -1.97 -2.21 119.26 121.98 1aq0 h ALA 98 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1aq0 h ALA 98 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1aq0 h ALA 98 CO 0.01 0.02 0.00 1.79 0.00 0.00 0.00 179.25 181.07 1aq0 h THR 99 N 0.00 0.00 0.00 0.00 1.35 -1.66 -0.50 112.91 112.10 1aq0 h THR 99 Ca -0.00 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 65.79 1aq0 h THR 99 Cb 0.05 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1aq0 h THR 99 CO 0.00 0.00 -0.13 0.03 -0.25 0.00 0.00 175.52 175.17 1aq0 h ARG 100 N 0.00 0.00 0.00 4.72 3.08 -1.64 -2.75 114.38 117.79 1aq0 h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1aq0 h ARG 100 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1aq0 h ARG 100 CO 0.00 0.13 -0.45 0.09 -1.07 0.00 0.00 179.97 178.67 1aq0 n ASN 101 N -3.30 0.69 0.02 7.04 5.03 -0.20 -4.52 115.26 120.02 1aq0 n ASN 101 Ca 0.00 0.22 -0.04 0.00 0.87 0.00 0.00 54.58 55.63 1aq0 n ASN 101 Cb 0.36 -0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 39.01 1aq0 n ASN 101 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1aq0 h LEU 102 N 0.00 -0.42 -0.45 3.41 3.38 -1.55 -1.11 115.31 118.58 1aq0 h LEU 102 Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1aq0 h LEU 102 Cb 0.72 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1aq0 h LEU 102 CO 0.00 -0.13 0.26 0.58 0.09 0.00 0.00 178.44 179.24 1aq0 h VAL 103 N -0.17 1.04 -0.64 1.22 2.07 -1.79 -1.20 116.25 116.78 1aq0 h VAL 103 Ca 0.00 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1aq0 h VAL 103 Cb 0.18 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1aq0 h VAL 103 CO -0.09 0.10 0.36 -0.65 0.02 0.00 0.00 177.57 177.31 1aq0 h PRO 104 N 0.53 0.66 -0.52 1.57 0.11 -1.79 0.89 132.00 133.45 1aq0 h PRO 104 Ca 0.18 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1aq0 h PRO 104 Cb 0.02 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1aq0 h PRO 104 CO -0.09 0.44 0.18 0.00 -0.21 0.00 0.00 178.00 178.32 1aq0 h ALA 105 N 1.32 0.67 -0.71 -0.75 0.00 -0.90 -1.34 119.26 117.55 1aq0 h ALA 105 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1aq0 h ALA 105 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1aq0 h ALA 105 CO -0.16 0.31 0.21 0.52 0.00 0.00 0.00 179.25 180.13 1aq0 h MET 106 N 0.70 1.11 -0.24 0.00 2.86 -0.70 -1.00 114.93 117.66 1aq0 h MET 106 Ca 0.17 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1aq0 h MET 106 Cb 0.24 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1aq0 h MET 106 CO -0.01 0.96 0.14 0.87 1.06 0.00 0.00 176.91 179.94 1aq0 h LYS 107 N 1.05 0.33 -0.64 1.72 1.57 -0.62 -0.03 116.57 119.96 1aq0 h LYS 107 Ca 0.23 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1aq0 h LYS 107 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1aq0 h LYS 107 CO -0.00 0.27 0.05 -0.91 -0.57 0.00 0.00 179.45 178.29 1aq0 h ASN 108 N 0.30 1.06 -0.40 0.86 2.35 -1.04 0.26 115.58 118.97 1aq0 h ASN 108 Ca 0.09 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 1aq0 h ASN 108 Cb 0.03 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1aq0 h ASN 108 CO -0.02 1.08 -0.18 0.58 -1.65 0.00 0.00 177.43 177.24 1aq0 h VAL 109 N 1.01 1.28 -0.60 2.81 2.07 -1.08 -2.14 116.25 119.60 1aq0 h VAL 109 Ca 0.19 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1aq0 h VAL 109 Cb 0.51 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1aq0 h VAL 109 CO 0.02 0.44 0.36 -0.74 0.02 0.00 0.00 177.57 177.67 1aq0 h HIS 110 N 0.63 0.80 -0.80 1.57 -0.00 -0.75 -1.06 115.15 115.54 1aq0 h HIS 110 Ca 0.09 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 1aq0 h HIS 110 Cb 0.74 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 1aq0 h HIS 110 CO 0.06 0.55 0.33 0.78 -0.00 0.00 0.00 177.93 179.64 1aq0 h GLY 111 N 0.82 1.29 1.13 5.26 0.00 -0.84 -2.07 103.07 108.65 1aq0 h GLY 111 Ca 0.22 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1aq0 h GLY 111 CO -0.04 0.65 0.09 0.00 0.00 0.00 0.00 176.54 177.25 1aq0 h ALA 112 N 1.18 0.95 -0.02 3.60 0.00 -0.91 -2.37 119.26 121.68 1aq0 h ALA 112 Ca 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aq0 h ALA 112 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1aq0 h ALA 112 CO -0.02 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 1aq0 h LEU 113 N 1.00 0.03 -1.02 0.00 3.38 -0.99 -2.88 115.31 114.83 1aq0 h LEU 113 Ca 0.20 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1aq0 h LEU 113 Cb 0.44 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1aq0 h LEU 113 CO 0.01 0.33 0.66 0.58 0.09 0.00 0.00 178.44 180.11 1aq0 h VAL 114 N -0.27 1.18 0.00 1.22 2.07 -1.35 -0.34 116.25 118.76 1aq0 h VAL 114 Ca 0.01 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1aq0 h VAL 114 Cb 0.32 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1aq0 h VAL 114 CO 0.00 0.23 -0.15 0.00 0.02 0.00 0.00 177.57 177.67 1aq0 h ALA 115 N 1.41 1.56 -0.13 1.67 0.00 -1.37 -1.87 119.26 120.53 1aq0 h ALA 115 Ca 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1aq0 h ALA 115 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1aq0 h ALA 115 CO -0.12 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1aq0 n ALA 116 N -2.43 2.52 -0.99 0.00 0.00 -0.74 -4.90 120.51 113.97 1aq0 n ALA 116 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1aq0 n ALA 116 Cb 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1aq0 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aq0 n GLY 117 N 1.22 0.48 1.85 0.00 0.00 -0.70 -4.90 105.19 103.14 1aq0 n GLY 117 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1aq0 n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aq0 n LEU 118 N 0.00 5.81 0.02 0.99 4.77 -0.21 -4.61 117.00 123.77 1aq0 n LEU 118 Ca 0.00 -3.38 0.03 0.00 -0.03 0.00 0.00 56.01 52.63 1aq0 n LEU 118 Cb 0.00 -0.74 0.15 0.00 -2.33 0.00 0.00 43.42 40.50 1aq0 n LEU 118 CO 0.00 0.92 0.60 0.61 -1.33 0.00 0.00 177.39 178.19 1aq0 n GLY 119 N -0.56 -0.69 0.19 -0.72 0.00 -1.19 -1.43 105.19 100.79 1aq0 n GLY 119 Ca 0.43 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.59 1aq0 n GLY 119 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1aq0 h HIS 120 N 0.00 0.00 -3.59 1.61 2.07 -1.92 -3.41 115.15 109.91 1aq0 h HIS 120 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 1aq0 h HIS 120 Cb 0.08 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 29.96 1aq0 h HIS 120 CO 0.00 0.00 0.62 0.42 -3.07 0.00 0.00 177.93 175.90 1aq0 s ILE 121 N -3.34 4.50 0.29 6.12 1.01 -0.52 -4.97 121.20 124.29 1aq0 s ILE 121 Ca 0.06 1.00 -0.28 0.00 0.00 0.00 0.00 60.65 61.43 1aq0 s ILE 121 Cb 0.09 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1aq0 s ILE 121 CO 0.56 -0.71 0.97 -0.54 0.00 0.00 0.00 174.94 175.22 1aq0 s LYS 122 N 3.68 4.68 -0.19 2.79 -0.14 -1.11 -4.83 119.74 124.62 1aq0 s LYS 122 Ca 0.39 1.49 -0.09 0.00 -1.36 0.00 0.00 55.97 56.39 1aq0 s LYS 122 Cb -0.11 -3.04 -0.05 0.00 -1.68 0.00 0.00 37.83 32.95 1aq0 s LYS 122 CO 0.23 0.34 0.12 0.08 -0.76 0.00 0.00 175.35 175.36 1aq0 s VAL 123 N -1.36 5.33 0.09 3.17 1.01 -1.26 -1.01 120.40 126.37 1aq0 s VAL 123 Ca 0.46 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 1aq0 s VAL 123 Cb -0.24 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1aq0 s VAL 123 CO 0.30 0.46 0.13 1.07 0.00 0.00 0.00 175.10 177.06 1aq0 n THR 124 N 3.34 0.00 -3.98 3.92 5.66 -0.45 -4.82 114.28 117.94 1aq0 n THR 124 Ca -0.17 -0.49 -0.08 0.00 -3.05 0.00 0.00 64.05 60.26 1aq0 n THR 124 Cb 0.52 0.30 -0.09 0.00 -1.55 0.00 0.00 70.33 69.51 1aq0 n THR 124 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1aq0 s THR 125 N -2.52 0.17 -0.17 1.09 -1.32 -1.26 0.06 115.64 111.68 1aq0 s THR 125 Ca 0.08 -1.41 -0.03 0.00 -1.21 0.00 0.00 61.69 59.12 1aq0 s THR 125 Cb -0.00 -1.22 -0.02 0.00 -1.51 0.00 0.00 72.50 69.75 1aq0 s THR 125 CO 0.06 -0.78 -0.06 -0.55 -2.21 0.00 0.00 174.62 171.08 1aq0 s SER 126 N -2.59 4.43 0.19 8.08 0.15 -1.18 -2.17 113.70 120.61 1aq0 s SER 126 Ca 0.02 -0.28 0.10 0.00 0.70 0.00 0.00 55.95 56.49 1aq0 s SER 126 Cb 0.04 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1aq0 s SER 126 CO -0.08 0.09 -0.18 0.68 1.20 0.00 0.00 173.24 174.95 1aq0 s VAL 127 N 0.79 2.71 0.44 4.45 -7.23 -0.15 -0.56 120.40 120.86 1aq0 s VAL 127 Ca -0.02 -1.87 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 1aq0 s VAL 127 Cb -0.15 -2.32 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 1aq0 s VAL 127 CO 0.02 -0.11 0.87 -0.55 -0.31 0.00 0.00 175.10 175.02 1aq0 s SER 128 N -2.72 6.63 0.36 4.85 0.15 -1.26 -0.88 113.70 120.83 1aq0 s SER 128 Ca 0.22 1.39 0.27 0.00 0.70 0.00 0.00 55.95 58.52 1aq0 s SER 128 Cb -0.08 -2.43 1.24 0.00 -1.71 0.00 0.00 66.02 63.04 1aq0 s SER 128 CO 0.12 -0.45 1.80 0.06 1.20 0.00 0.00 173.24 175.97 1aq0 h GLN 129 N 1.29 0.00 0.00 5.44 3.07 -1.91 -2.57 115.11 120.43 1aq0 h GLN 129 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1aq0 h GLN 129 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1aq0 h GLN 129 CO 0.63 0.00 0.00 0.00 0.09 0.00 0.00 178.83 179.55 1aq0 h ALA 130 N 2.12 1.00 0.00 0.06 0.00 -1.92 -2.27 119.26 118.25 1aq0 h ALA 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aq0 h ALA 130 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1aq0 h ALA 130 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 1aq0 n ILE 131 N -2.31 0.09 -2.80 0.00 -5.35 -0.97 -4.73 119.36 103.29 1aq0 n ILE 131 Ca 0.00 0.02 -0.42 0.00 -0.27 0.00 0.00 62.75 62.09 1aq0 n ILE 131 Cb 0.15 -0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 37.46 1aq0 n ILE 131 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1aq0 s LEU 132 N -2.67 4.17 0.08 7.28 1.43 -0.86 -1.26 118.68 126.85 1aq0 s LEU 132 Ca 0.23 1.27 0.04 0.00 -1.03 0.00 0.00 54.13 54.65 1aq0 s LEU 132 Cb 0.19 -3.35 -0.23 0.00 0.03 0.00 0.00 46.19 42.82 1aq0 s LEU 132 CO 0.45 -0.47 1.14 1.23 0.23 0.00 0.00 176.35 178.92 1aq0 h GLY 133 N 8.56 0.09 -6.43 -3.19 0.00 -0.72 -3.44 103.07 97.94 1aq0 h GLY 133 Ca -0.27 -0.24 -0.38 0.00 0.00 0.00 0.00 47.33 46.44 1aq0 h GLY 133 CO 0.87 0.21 -0.76 0.14 0.00 0.00 0.00 176.54 177.00 1aq0 s VAL 134 N -2.68 0.32 0.00 4.60 1.01 -1.09 -4.98 120.40 117.59 1aq0 s VAL 134 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1aq0 s VAL 134 Cb 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1aq0 s VAL 134 CO 0.84 0.19 0.00 2.22 0.00 0.00 0.00 175.10 178.35 1aq0 n PHE 135 N 4.25 0.00 -4.19 5.22 1.16 -1.26 -2.90 117.46 119.74 1aq0 n PHE 135 Ca -0.23 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.07 1aq0 n PHE 135 Cb 0.50 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.21 1aq0 n PHE 135 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1aq0 s SER 136 N -2.04 2.36 0.55 5.98 0.15 -1.26 -2.97 113.70 116.46 1aq0 s SER 136 Ca 0.00 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 56.12 1aq0 s SER 136 Cb 0.00 -1.01 -0.06 0.00 -1.71 0.00 0.00 66.02 63.23 1aq0 s SER 136 CO 0.00 -0.04 0.98 -2.16 1.20 0.00 0.00 173.24 173.22 1aq0 s PRO 137 N 1.29 3.79 0.40 5.44 0.04 -1.26 -4.98 135.00 139.73 1aq0 s PRO 137 Ca -0.01 0.81 0.16 0.00 0.04 0.00 0.00 61.00 62.00 1aq0 s PRO 137 Cb -0.14 -2.14 1.03 0.00 0.04 0.00 0.00 34.50 33.29 1aq0 s PRO 137 CO -0.05 -0.37 1.85 -1.35 0.04 0.00 0.00 177.00 177.12 1aq0 h PRO 138 N 0.44 0.45 0.00 0.56 0.11 -1.80 -1.00 132.00 130.76 1aq0 h PRO 138 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1aq0 h PRO 138 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1aq0 h PRO 138 CO 0.62 0.30 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 1aq0 h SER 139 N 0.46 0.00 -0.40 -2.05 4.64 -1.89 -1.00 113.55 113.31 1aq0 h SER 139 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1aq0 h SER 139 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1aq0 h SER 139 CO -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 1aq0 n ALA 140 N -1.84 2.24 -1.59 5.18 0.00 -0.38 -5.04 120.51 119.09 1aq0 n ALA 140 Ca -0.01 -1.13 -0.54 0.00 0.00 0.00 0.00 53.44 51.76 1aq0 n ALA 140 Cb 0.08 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1aq0 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aq0 n GLY 141 N 0.77 0.37 3.29 0.00 0.00 -0.38 -4.79 105.19 104.45 1aq0 n GLY 141 Ca 0.14 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 46.76 1aq0 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aq0 s SER 142 N 0.71 -0.28 0.52 1.61 0.01 -1.14 -2.97 113.70 112.16 1aq0 s SER 142 Ca 0.87 0.21 -0.12 0.00 1.31 0.00 0.00 55.95 58.22 1aq0 s SER 142 Cb -1.03 0.36 -0.06 0.00 0.21 0.00 0.00 66.02 65.50 1aq0 s SER 142 CO 0.51 -0.48 0.93 -0.36 0.41 0.00 0.00 173.24 174.26 1aq0 s PHE 143 N -1.29 3.52 1.16 2.43 0.08 -1.26 -0.12 117.98 122.50 1aq0 s PHE 143 Ca -0.13 1.26 -0.17 0.00 0.12 0.00 0.00 56.93 58.01 1aq0 s PHE 143 Cb -0.04 -2.65 0.26 0.00 -0.57 0.00 0.00 43.02 40.02 1aq0 s PHE 143 CO 0.05 -0.40 1.08 0.95 -0.10 0.00 0.00 175.22 176.80 1aq0 s THR 144 N -2.75 1.74 0.07 0.64 -4.23 -0.39 -4.36 115.64 106.35 1aq0 s THR 144 Ca 0.55 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.85 1aq0 s THR 144 Cb -0.10 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 1aq0 s THR 144 CO 0.39 0.00 1.55 1.23 -0.54 0.00 0.00 174.62 177.26 1aq0 h GLY 145 N -2.46 0.25 0.99 3.99 0.00 -1.97 0.98 103.07 104.86 1aq0 h GLY 145 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1aq0 h GLY 145 CO 0.43 0.15 0.00 -2.09 0.00 0.00 0.00 176.54 175.03 1aq0 h GLU 146 N 0.04 0.00 -0.68 4.80 4.81 -1.97 -2.90 114.58 118.67 1aq0 h GLU 146 Ca 0.05 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1aq0 h GLU 146 Cb 0.26 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1aq0 h GLU 146 CO 0.00 0.01 0.36 0.00 -0.73 0.00 0.00 179.01 178.64 1aq0 h ALA 147 N 0.99 0.88 -0.66 2.92 0.00 -1.87 -2.55 119.26 118.97 1aq0 h ALA 147 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1aq0 h ALA 147 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1aq0 h ALA 147 CO -0.00 0.41 0.45 0.00 0.00 0.00 0.00 179.25 180.11 1aq0 h ALA 148 N 1.17 2.12 -0.66 0.00 0.00 -0.62 0.17 119.26 121.44 1aq0 h ALA 148 Ca 0.24 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1aq0 h ALA 148 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1aq0 h ALA 148 CO -0.03 -0.29 0.35 0.00 0.00 0.00 0.00 179.25 179.28 1aq0 h ALA 149 N 1.68 0.88 0.00 0.00 0.00 -1.26 -2.25 119.26 118.30 1aq0 h ALA 149 Ca 0.32 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1aq0 h ALA 149 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1aq0 h ALA 149 CO -0.09 0.01 -2.12 1.97 0.00 0.00 0.00 179.25 179.03 1aq0 n PHE 150 N -4.82 0.07 0.17 0.00 -1.74 -0.83 -4.41 117.46 105.92 1aq0 n PHE 150 Ca 0.08 0.02 0.02 0.00 -0.56 0.00 0.00 57.45 57.01 1aq0 n PHE 150 Cb 0.19 -0.76 0.31 0.00 1.52 0.00 0.00 39.48 40.75 1aq0 n PHE 150 CO 0.00 0.00 0.00 0.52 -0.56 0.00 0.00 176.76 176.72 1aq0 h MET 151 N 0.00 0.00 0.50 3.97 2.86 -0.61 -2.69 114.93 118.96 1aq0 h MET 151 Ca -0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1aq0 h MET 151 Cb 1.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 1aq0 h MET 151 CO 0.02 0.43 -0.46 0.78 1.06 0.00 0.00 176.91 178.74 1aq0 h GLY 152 N 1.32 -1.15 1.33 8.32 0.00 -1.61 0.42 103.07 111.69 1aq0 h GLY 152 Ca -0.00 0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 1aq0 h GLY 152 CO 0.06 -0.36 0.40 -2.55 0.00 0.00 0.00 176.54 174.09 1aq0 h PRO 153 N -0.96 0.90 0.25 4.80 0.11 -1.80 -1.99 132.00 133.31 1aq0 h PRO 153 Ca -0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1aq0 h PRO 153 Cb 0.83 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1aq0 h PRO 153 CO -0.04 0.63 -0.12 0.28 -0.21 0.00 0.00 178.00 178.53 1aq0 h VAL 154 N 0.91 0.79 -0.94 3.15 2.07 -1.18 -1.69 116.25 119.36 1aq0 h VAL 154 Ca 0.24 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1aq0 h VAL 154 Cb -0.04 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1aq0 h VAL 154 CO -0.05 0.06 0.62 0.58 0.02 0.00 0.00 177.57 178.80 1aq0 h VAL 155 N -0.49 1.20 -0.27 2.57 2.07 -0.77 -1.53 116.25 119.03 1aq0 h VAL 155 Ca -0.03 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1aq0 h VAL 155 Cb 0.36 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1aq0 h VAL 155 CO 0.06 0.22 -0.26 1.56 0.02 0.00 0.00 177.57 179.17 1aq0 h GLN 156 N 1.22 0.53 -0.35 1.57 4.20 -1.26 -1.00 115.11 120.01 1aq0 h GLN 156 Ca 0.36 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1aq0 h GLN 156 Cb -0.07 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1aq0 h GLN 156 CO -0.09 0.75 -0.03 0.35 -0.67 0.00 0.00 178.83 179.13 1aq0 h PHE 157 N 0.46 0.70 -0.49 2.96 3.57 -0.61 -2.09 116.94 121.45 1aq0 h PHE 157 Ca 0.06 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1aq0 h PHE 157 Cb 0.70 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1aq0 h PHE 157 CO 0.03 0.76 0.11 -0.07 -2.23 0.00 0.00 178.31 176.91 1aq0 h LEU 158 N 0.44 0.69 -0.42 0.59 3.38 -1.03 -1.63 115.31 117.33 1aq0 h LEU 158 Ca 0.10 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1aq0 h LEU 158 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1aq0 h LEU 158 CO 0.02 0.69 -0.21 0.00 0.09 0.00 0.00 178.44 179.03 1aq0 h ALA 159 N 1.41 0.59 0.00 1.53 0.00 -1.05 0.58 119.26 122.32 1aq0 h ALA 159 Ca 0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1aq0 h ALA 159 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1aq0 h ALA 159 CO -0.00 0.56 -0.24 0.07 0.00 0.00 0.00 179.25 179.64 1aq0 h ARG 160 N 0.70 0.00 -0.29 0.00 0.11 -1.13 -3.04 114.38 110.73 1aq0 h ARG 160 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1aq0 h ARG 160 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 1aq0 h ARG 160 CO 0.06 0.24 0.00 0.25 0.10 0.00 0.00 179.97 180.62 1aq0 n THR 161 N -3.23 0.40 -3.71 0.08 -2.24 -0.63 -4.97 114.28 99.97 1aq0 n THR 161 Ca 0.02 -0.70 -0.24 0.00 -2.27 0.00 0.00 64.05 60.86 1aq0 n THR 161 Cb 0.54 1.08 0.05 0.00 -2.10 0.00 0.00 70.33 69.91 1aq0 n THR 161 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aq0 n ASN 162 N 1.37 -3.40 -4.55 3.42 4.05 -0.42 -5.00 115.26 110.74 1aq0 n ASN 162 Ca 0.17 -0.72 -0.30 0.00 0.45 0.00 0.00 54.58 54.18 1aq0 n ASN 162 Cb 0.58 -4.36 -0.11 0.00 1.23 0.00 0.00 39.78 37.13 1aq0 n ASN 162 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aq0 s ALA 163 N -3.44 2.86 0.61 5.20 0.00 0.06 -5.04 121.76 122.01 1aq0 s ALA 163 Ca 0.32 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1aq0 s ALA 163 Cb -0.15 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1aq0 s ALA 163 CO 0.79 0.62 0.92 -1.25 0.00 0.00 0.00 175.76 176.84 1aq0 s PRO 164 N -1.98 2.76 -0.11 0.00 0.04 -1.26 -4.49 135.00 129.96 1aq0 s PRO 164 Ca 0.19 -0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.09 1aq0 s PRO 164 Cb -0.11 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1aq0 s PRO 164 CO 0.11 -0.81 0.12 -1.17 0.04 0.00 0.00 177.00 175.29 1aq0 s LEU 165 N -5.04 4.24 -0.14 -3.56 2.96 -0.24 -4.68 118.68 112.23 1aq0 s LEU 165 Ca 0.55 0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 1aq0 s LEU 165 Cb -0.11 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1aq0 s LEU 165 CO 0.45 0.40 0.08 -0.04 -1.32 0.00 0.00 176.35 175.91 1aq0 s MET 166 N -1.05 3.55 -0.02 1.98 -1.94 -0.92 -1.05 119.30 119.85 1aq0 s MET 166 Ca 0.15 -0.28 0.03 0.00 -1.71 0.00 0.00 55.69 53.88 1aq0 s MET 166 Cb -0.12 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.61 1aq0 s MET 166 CO 0.04 0.56 -0.09 0.00 -0.01 0.00 0.00 175.02 175.52 1aq0 s ALA 167 N -0.42 0.86 -0.44 3.03 0.00 -0.14 -0.97 121.76 123.67 1aq0 s ALA 167 Ca 0.10 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1aq0 s ALA 167 Cb -0.12 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1aq0 s ALA 167 CO 0.02 0.15 0.55 -0.80 0.00 0.00 0.00 175.76 175.68 1aq0 s ASN 168 N 0.14 6.26 -0.21 0.00 0.01 -0.06 -1.02 114.94 120.05 1aq0 s ASN 168 Ca -0.02 -0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.59 1aq0 s ASN 168 Cb -0.08 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.31 1aq0 s ASN 168 CO 0.00 -0.70 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.16 1aq0 s ILE 169 N 2.51 2.81 -0.41 0.60 1.01 -0.39 -2.65 121.20 124.68 1aq0 s ILE 169 Ca 0.18 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1aq0 s ILE 169 Cb -0.16 -2.29 0.12 0.00 0.01 0.00 0.00 42.46 40.14 1aq0 s ILE 169 CO 0.16 0.40 0.19 -0.31 0.00 0.00 0.00 174.94 175.38 1aq0 s TYR 170 N 1.38 2.38 0.45 3.97 1.51 -1.26 -4.16 117.35 121.61 1aq0 s TYR 170 Ca 0.04 -2.49 0.18 0.00 -1.01 0.00 0.00 57.07 53.79 1aq0 s TYR 170 Cb -0.14 -2.16 1.14 0.00 -0.11 0.00 0.00 41.96 40.68 1aq0 s TYR 170 CO -0.07 -0.82 1.94 -1.35 -1.11 0.00 0.00 175.55 174.14 1aq0 h PRO 171 N 7.10 0.31 -0.34 -1.71 0.11 -1.86 -1.66 132.00 133.94 1aq0 h PRO 171 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1aq0 h PRO 171 Cb 0.95 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1aq0 h PRO 171 CO 0.52 0.20 0.22 -0.92 -0.21 0.00 0.00 178.00 177.82 1aq0 h TYR 172 N 0.31 0.42 -0.36 0.65 3.20 -1.83 -1.38 116.97 117.99 1aq0 h TYR 172 Ca 0.34 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 1aq0 h TYR 172 Cb 0.88 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1aq0 h TYR 172 CO -0.00 0.27 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.56 1aq0 h LEU 173 N 0.46 0.65 -0.58 2.82 3.38 -1.68 0.15 115.31 120.51 1aq0 h LEU 173 Ca 0.12 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1aq0 h LEU 173 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1aq0 h LEU 173 CO -0.03 0.82 0.03 0.00 0.09 0.00 0.00 178.44 179.35 1aq0 h ALA 174 N 1.24 0.77 -0.08 1.53 0.00 -1.21 -2.44 119.26 119.07 1aq0 h ALA 174 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1aq0 h ALA 174 Cb 0.60 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aq0 h ALA 174 CO 0.04 0.58 -0.14 2.35 0.00 0.00 0.00 179.25 182.08 1aq0 h TRP 175 N 0.89 0.31 -0.00 0.00 7.01 -1.04 -3.24 115.95 119.87 1aq0 h TRP 175 Ca 0.17 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1aq0 h TRP 175 Cb 0.51 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1aq0 h TRP 175 CO 0.04 0.74 0.00 0.00 -2.79 0.00 0.00 178.44 176.43 1aq0 h ALA 176 N 0.52 1.71 -0.98 2.65 0.00 -0.67 -2.13 119.26 120.36 1aq0 h ALA 176 Ca 0.01 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1aq0 h ALA 176 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1aq0 h ALA 176 CO 0.03 -0.01 0.62 -0.92 0.00 0.00 0.00 179.25 178.97 1aq0 h TYR 177 N 0.00 1.07 -1.29 0.00 3.20 -1.46 -3.36 116.97 115.12 1aq0 h TYR 177 Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 1aq0 h TYR 177 Cb 0.01 -0.34 -0.23 0.00 1.54 0.00 0.00 36.73 37.72 1aq0 h TYR 177 CO 0.00 0.40 -0.52 1.21 -1.64 0.00 0.00 178.16 177.61 1aq0 s ASN 178 N -5.70 -0.71 0.64 -2.11 3.84 -0.84 -5.03 114.94 105.03 1aq0 s ASN 178 Ca -0.11 -1.01 0.35 0.00 0.21 0.00 0.00 52.86 52.29 1aq0 s ASN 178 Cb 0.22 1.54 1.93 0.00 -0.55 0.00 0.00 41.25 44.39 1aq0 s ASN 178 CO 0.80 -0.20 2.15 -0.65 -2.79 0.00 0.00 177.10 176.41 1aq0 h PRO 179 N 7.04 0.00 0.00 0.43 0.11 -1.61 -1.16 132.00 136.81 1aq0 h PRO 179 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1aq0 h PRO 179 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1aq0 h PRO 179 CO 0.13 0.00 -0.28 0.66 -0.21 0.00 0.00 178.00 178.30 1aq0 h SER 180 N 0.00 0.00 0.97 -2.05 4.64 -1.96 -3.34 113.55 111.81 1aq0 h SER 180 Ca 0.03 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1aq0 h SER 180 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1aq0 h SER 180 CO -0.00 0.02 -0.31 0.00 -0.87 0.00 0.00 176.83 175.67 1aq0 h ALA 181 N 2.24 0.97 -2.59 5.18 0.00 -1.55 -3.46 119.26 120.05 1aq0 h ALA 181 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1aq0 h ALA 181 Cb 0.88 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.47 1aq0 h ALA 181 CO 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.58 1aq0 s MET 182 N -3.56 1.00 0.22 0.00 0.23 -1.25 -5.13 119.30 110.80 1aq0 s MET 182 Ca 0.01 -0.42 -0.30 0.00 -1.03 0.00 0.00 55.69 53.94 1aq0 s MET 182 Cb 0.10 0.45 -0.10 0.00 -1.53 0.00 0.00 34.83 33.75 1aq0 s MET 182 CO 0.67 -0.36 1.46 0.34 -2.03 0.00 0.00 175.02 175.09 1aq0 s ASP 183 N -2.22 6.66 0.33 -1.18 2.15 -1.26 -4.89 116.67 116.25 1aq0 s ASP 183 Ca -0.03 2.63 0.03 0.00 0.43 0.00 0.00 52.55 55.61 1aq0 s ASP 183 Cb -0.00 -2.61 0.57 0.00 -0.30 0.00 0.00 42.92 40.57 1aq0 s ASP 183 CO -0.05 -0.72 1.89 -0.03 -0.17 0.00 0.00 175.17 176.09 1aq0 h MET 184 N 5.51 0.64 -0.35 4.34 1.85 -1.98 -2.13 114.93 122.81 1aq0 h MET 184 Ca -0.45 -0.12 0.09 0.00 -0.61 0.00 0.00 59.70 58.61 1aq0 h MET 184 Cb 1.21 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.12 1aq0 h MET 184 CO 0.81 0.59 0.25 0.78 -0.40 0.00 0.00 176.91 178.94 1aq0 h GLY 185 N 0.85 0.09 1.35 1.39 0.00 -1.91 -0.83 103.07 104.02 1aq0 h GLY 185 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 1aq0 h GLY 185 CO -0.00 0.02 -0.08 -1.82 0.00 0.00 0.00 176.54 174.65 1aq0 h TYR 186 N 0.07 0.84 0.00 5.60 3.20 -1.63 0.22 116.97 125.27 1aq0 h TYR 186 Ca 0.16 -0.14 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1aq0 h TYR 186 Cb 0.57 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1aq0 h TYR 186 CO -0.00 0.83 -0.69 0.00 -1.64 0.00 0.00 178.16 176.66 1aq0 h ALA 187 N 1.20 0.62 -0.10 1.82 0.00 -1.28 -0.15 119.26 121.36 1aq0 h ALA 187 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1aq0 h ALA 187 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1aq0 h ALA 187 CO 0.03 0.77 0.00 -0.11 0.00 0.00 0.00 179.25 179.94 1aq0 n LEU 188 N -3.21 2.01 -0.81 0.00 7.94 -0.45 -4.65 117.00 117.83 1aq0 n LEU 188 Ca 0.00 -0.75 -0.08 0.00 -1.11 0.00 0.00 56.01 54.08 1aq0 n LEU 188 Cb 0.78 -0.06 -0.01 0.00 0.53 0.00 0.00 43.42 44.66 1aq0 n LEU 188 CO 0.42 0.37 -0.09 0.49 -1.11 0.00 0.00 177.39 177.47 1aq0 n PHE 189 N 0.56 -0.25 -2.53 1.96 3.72 -0.92 -4.50 117.46 115.51 1aq0 n PHE 189 Ca 0.17 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.41 1aq0 n PHE 189 Cb 0.42 -1.97 0.02 0.00 -0.94 0.00 0.00 39.48 37.01 1aq0 n PHE 189 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1aq0 n ASN 190 N 0.55 3.12 -3.20 4.37 5.15 0.72 -4.92 115.26 121.05 1aq0 n ASN 190 Ca -0.09 -3.12 -0.36 0.00 -0.60 0.00 0.00 54.58 50.40 1aq0 n ASN 190 Cb 0.46 -0.47 0.01 0.00 -0.53 0.00 0.00 39.78 39.25 1aq0 n ASN 190 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aq0 n ALA 191 N -0.38 5.81 -1.73 5.20 0.00 -1.06 -4.53 120.51 123.83 1aq0 n ALA 191 Ca 0.24 -4.48 -0.42 0.00 0.00 0.00 0.00 53.44 48.78 1aq0 n ALA 191 Cb 0.78 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1aq0 n ALA 191 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aq0 n SER 192 N -0.26 3.89 0.00 0.00 7.64 -1.26 -1.56 113.62 122.07 1aq0 n SER 192 Ca 0.45 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1aq0 n SER 192 Cb 0.32 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1aq0 n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aq0 n GLY 193 N 3.21 2.20 3.62 0.23 0.00 -1.26 -5.01 105.19 108.18 1aq0 n GLY 193 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1aq0 n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aq0 s THR 194 N -2.37 5.24 -0.20 2.61 2.01 -0.60 -5.04 115.64 117.29 1aq0 s THR 194 Ca 0.00 0.41 -0.02 0.00 0.31 0.00 0.00 61.69 62.39 1aq0 s THR 194 Cb 0.00 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.95 1aq0 s THR 194 CO 0.00 0.22 0.03 -0.69 -0.69 0.00 0.00 174.62 173.49 1aq0 s VAL 195 N 1.75 0.62 -0.43 3.82 1.01 -1.26 -4.52 120.40 121.40 1aq0 s VAL 195 Ca 0.12 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1aq0 s VAL 195 Cb -0.15 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1aq0 s VAL 195 CO 0.09 -0.21 0.61 -0.69 0.00 0.00 0.00 175.10 174.90 1aq0 s VAL 196 N 1.81 4.87 0.19 2.92 1.01 0.40 -4.84 120.40 126.77 1aq0 s VAL 196 Ca -0.01 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1aq0 s VAL 196 Cb -0.17 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 1aq0 s VAL 196 CO -0.08 -0.54 1.09 -0.13 0.00 0.00 0.00 175.10 175.44 1aq0 s ARG 197 N 2.71 4.61 -0.39 2.72 1.81 -1.26 -0.65 118.95 128.50 1aq0 s ARG 197 Ca 0.21 1.72 0.02 0.00 -1.72 0.00 0.00 55.73 55.97 1aq0 s ARG 197 Cb -0.15 -3.27 0.15 0.00 -0.45 0.00 0.00 34.95 31.24 1aq0 s ARG 197 CO 0.18 0.11 0.28 0.34 -0.68 0.00 0.00 175.30 175.53 1aq0 s ASP 198 N -0.25 2.29 1.39 0.23 2.15 0.70 -4.97 116.67 118.21 1aq0 s ASP 198 Ca 0.48 -2.66 0.00 0.00 0.43 0.00 0.00 52.55 50.80 1aq0 s ASP 198 Cb -0.30 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 1aq0 s ASP 198 CO 0.36 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 1aq0 n GLY 199 N 3.41 2.42 0.09 2.66 0.00 -1.26 -2.33 105.19 110.17 1aq0 n GLY 199 Ca 0.21 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1aq0 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq0 n ALA 200 N 10.65 2.83 -2.66 4.61 0.00 -1.26 -4.87 120.51 129.81 1aq0 n ALA 200 Ca 0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 1aq0 n ALA 200 Cb 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.05 1aq0 n ALA 200 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aq0 s TYR 201 N -2.64 3.05 -0.14 0.00 2.02 -0.99 -5.11 117.35 113.55 1aq0 s TYR 201 Ca 0.24 0.08 -0.00 0.00 -0.37 0.00 0.00 57.07 57.01 1aq0 s TYR 201 Cb 0.19 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1aq0 s TYR 201 CO 0.52 0.44 -0.13 0.20 -1.57 0.00 0.00 175.55 175.00 1aq0 s GLY 202 N -1.38 1.52 -0.08 0.71 0.00 -1.26 -0.21 107.32 106.62 1aq0 s GLY 202 Ca 0.18 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 1aq0 s GLY 202 CO 0.08 -0.12 0.05 -0.19 0.00 0.00 0.00 173.10 172.92 1aq0 s TYR 203 N 0.50 3.29 -0.10 1.90 1.51 0.17 -4.87 117.35 119.76 1aq0 s TYR 203 Ca -0.09 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 1aq0 s TYR 203 Cb -0.16 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1aq0 s TYR 203 CO 0.04 0.55 0.19 1.04 -1.11 0.00 0.00 175.55 176.26 1aq0 n GLN 204 N 1.89 4.64 -3.71 -0.62 6.02 -1.26 -0.45 117.38 123.89 1aq0 n GLN 204 Ca -0.18 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 56.55 1aq0 n GLN 204 Cb 0.54 -0.69 -0.06 0.00 1.02 0.00 0.00 30.24 31.05 1aq0 n GLN 204 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1aq0 s ASN 205 N -0.87 -0.17 0.37 1.08 2.20 -1.26 -4.43 114.94 111.86 1aq0 s ASN 205 Ca 0.01 -0.22 0.16 0.00 -0.94 0.00 0.00 52.86 51.87 1aq0 s ASN 205 Cb 0.01 0.40 0.74 0.00 -2.00 0.00 0.00 41.25 40.40 1aq0 s ASN 205 CO 0.05 -0.70 1.79 0.25 -2.94 0.00 0.00 177.10 175.55 1aq0 h LEU 206 N 2.91 0.00 0.14 3.54 5.85 -1.31 -3.08 115.31 123.36 1aq0 h LEU 206 Ca -0.32 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1aq0 h LEU 206 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1aq0 h LEU 206 CO 0.47 0.38 -0.10 0.15 -0.34 0.00 0.00 178.44 179.00 1aq0 h PHE 207 N 0.00 -0.27 -0.68 1.25 3.57 -1.87 -0.75 116.94 118.19 1aq0 h PHE 207 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1aq0 h PHE 207 Cb 0.76 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1aq0 h PHE 207 CO 0.00 -0.16 0.40 -0.44 -2.23 0.00 0.00 178.31 175.87 1aq0 h ASP 208 N -0.25 0.83 -0.30 0.41 3.32 -1.96 -1.32 116.42 117.15 1aq0 h ASP 208 Ca -0.01 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1aq0 h ASP 208 Cb 0.22 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1aq0 h ASP 208 CO -0.00 0.66 0.14 0.74 -1.72 0.00 0.00 179.24 179.05 1aq0 h THR 209 N 0.93 0.97 -0.50 0.35 2.02 -1.43 -0.81 112.91 114.44 1aq0 h THR 209 Ca 0.24 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1aq0 h THR 209 Cb -0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1aq0 h THR 209 CO -0.04 0.05 -0.01 0.74 0.37 0.00 0.00 175.52 176.63 1aq0 h THR 210 N 0.29 1.26 -0.22 3.16 2.02 -0.86 -0.01 112.91 118.55 1aq0 h THR 210 Ca 0.13 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1aq0 h THR 210 Cb 0.06 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1aq0 h THR 210 CO -0.10 0.38 0.10 0.58 0.37 0.00 0.00 175.52 176.86 1aq0 h VAL 211 N 0.75 1.15 0.00 3.16 2.07 -1.10 -1.58 116.25 120.70 1aq0 h VAL 211 Ca 0.14 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1aq0 h VAL 211 Cb 0.53 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1aq0 h VAL 211 CO 0.03 0.14 -0.37 0.44 0.02 0.00 0.00 177.57 177.84 1aq0 h ASP 212 N 0.22 0.00 -0.50 0.57 3.32 -1.00 -2.05 116.42 116.98 1aq0 h ASP 212 Ca 0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1aq0 h ASP 212 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1aq0 h ASP 212 CO -0.01 0.37 -0.10 0.00 -1.72 0.00 0.00 179.24 177.78 1aq0 h ALA 213 N 1.63 0.68 -0.52 3.45 0.00 -0.73 -1.68 119.26 122.09 1aq0 h ALA 213 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1aq0 h ALA 213 Cb 0.65 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1aq0 h ALA 213 CO 0.05 0.58 0.31 0.74 0.00 0.00 0.00 179.25 180.92 1aq0 h PHE 214 N 0.80 0.70 -0.79 0.00 0.04 -0.78 -1.16 116.94 115.75 1aq0 h PHE 214 Ca 0.13 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.90 1aq0 h PHE 214 Cb 0.65 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 1aq0 h PHE 214 CO 0.05 0.49 0.53 1.88 -0.60 0.00 0.00 178.31 180.65 1aq0 h TYR 215 N 0.70 1.00 -0.31 -0.55 0.05 -1.13 -0.27 116.97 116.46 1aq0 h TYR 215 Ca 0.19 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 1aq0 h TYR 215 Cb 0.00 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 1aq0 h TYR 215 CO -0.02 0.63 0.10 1.15 -1.05 0.00 0.00 178.16 178.96 1aq0 h THR 216 N 1.07 1.20 -0.65 -2.88 2.02 -0.95 -1.60 112.91 111.12 1aq0 h THR 216 Ca 0.29 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1aq0 h THR 216 Cb -0.12 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1aq0 h THR 216 CO -0.06 0.22 0.40 0.00 0.37 0.00 0.00 175.52 176.45 1aq0 h ALA 217 N 0.94 0.85 -0.67 6.16 0.00 -0.82 -2.35 119.26 123.36 1aq0 h ALA 217 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1aq0 h ALA 217 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1aq0 h ALA 217 CO -0.00 0.16 0.14 0.52 0.00 0.00 0.00 179.25 180.06 1aq0 h MET 218 N 0.79 1.08 -0.12 0.00 2.07 -0.92 -2.82 114.93 115.01 1aq0 h MET 218 Ca 0.26 -0.26 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 1aq0 h MET 218 Cb 0.02 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 29.61 1aq0 h MET 218 CO -0.11 0.97 0.09 0.78 1.07 0.00 0.00 176.91 179.71 1aq0 h GLY 219 N 1.06 0.00 2.00 8.32 0.00 -0.75 -0.72 103.07 112.99 1aq0 h GLY 219 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1aq0 h GLY 219 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1aq0 n LYS 220 N -4.45 0.05 -0.28 4.80 5.02 -1.06 -3.02 118.16 119.21 1aq0 n LYS 220 Ca -0.00 0.18 0.08 0.00 -2.02 0.00 0.00 58.31 56.55 1aq0 n LYS 220 Cb 0.21 -1.57 0.19 0.00 -0.02 0.00 0.00 35.03 33.83 1aq0 n LYS 220 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1aq0 n HIS 221 N -1.66 0.34 -1.13 2.13 8.25 -0.65 -4.94 115.22 117.55 1aq0 n HIS 221 Ca 0.05 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 1aq0 n HIS 221 Cb 0.26 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1aq0 n HIS 221 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aq0 n GLY 222 N -1.13 0.53 1.53 -1.41 0.00 -1.17 -4.49 105.19 99.06 1aq0 n GLY 222 Ca 0.19 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1aq0 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq0 n GLY 223 N -2.19 5.49 0.22 -0.02 0.00 -0.37 -4.72 105.19 103.60 1aq0 n GLY 223 Ca 0.00 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.38 1aq0 n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aq0 h SER 224 N 1.47 0.00 -0.04 1.61 4.64 -1.79 -1.91 113.55 117.53 1aq0 h SER 224 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1aq0 h SER 224 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1aq0 h SER 224 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1aq0 n SER 225 N -2.61 2.97 -4.71 4.97 3.41 -1.26 -4.94 113.62 111.45 1aq0 n SER 225 Ca -0.00 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 1aq0 n SER 225 Cb 0.16 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1aq0 n SER 225 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1aq0 s VAL 226 N -1.95 4.99 0.40 -3.33 1.01 -0.72 -5.02 120.40 115.78 1aq0 s VAL 226 Ca 0.28 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 1aq0 s VAL 226 Cb 0.20 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1aq0 s VAL 226 CO 0.29 0.20 0.77 -0.54 0.00 0.00 0.00 175.10 175.83 1aq0 s LYS 227 N 1.05 3.82 -0.11 2.72 1.02 -1.26 -4.91 119.74 122.06 1aq0 s LYS 227 Ca 0.41 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 56.90 1aq0 s LYS 227 Cb -0.18 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1aq0 s LYS 227 CO 0.19 -0.02 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.40 1aq0 s LEU 228 N -3.73 3.29 -0.11 3.17 2.96 -1.26 -1.08 118.68 121.92 1aq0 s LEU 228 Ca 0.52 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1aq0 s LEU 228 Cb -0.10 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1aq0 s LEU 228 CO 0.29 0.29 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.72 1aq0 s VAL 229 N -0.36 2.43 -0.65 1.68 1.01 -0.21 -4.54 120.40 119.75 1aq0 s VAL 229 Ca 0.06 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1aq0 s VAL 229 Cb -0.12 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1aq0 s VAL 229 CO 0.02 0.55 1.00 -0.69 0.00 0.00 0.00 175.10 175.98 1aq0 s VAL 230 N 0.34 4.25 -0.90 2.92 1.01 -0.18 -0.97 120.40 126.87 1aq0 s VAL 230 Ca -0.16 -0.16 0.26 0.00 0.00 0.00 0.00 61.98 61.93 1aq0 s VAL 230 Cb -0.17 -4.70 0.24 0.00 0.00 0.00 0.00 36.38 31.75 1aq0 s VAL 230 CO 0.08 -1.46 1.82 -1.54 0.00 0.00 0.00 175.10 173.99 1aq0 n SER 231 N 7.91 0.25 -3.62 3.32 3.41 -0.19 -0.94 113.62 123.76 1aq0 n SER 231 Ca -0.02 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 58.98 1aq0 n SER 231 Cb 0.46 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 1aq0 n SER 231 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aq0 s GLU 232 N -3.05 0.84 -0.27 4.33 2.02 -1.21 -4.61 118.70 116.76 1aq0 s GLU 232 Ca 0.12 0.86 -0.26 0.00 0.02 0.00 0.00 54.97 55.70 1aq0 s GLU 232 Cb 0.15 0.41 0.16 0.00 0.10 0.00 0.00 34.13 34.95 1aq0 s GLU 232 CO 0.50 -0.13 1.24 0.45 0.02 0.00 0.00 175.26 177.35 1aq0 s SER 233 N 0.14 -0.22 0.00 -0.19 0.15 -1.07 -1.26 113.70 111.24 1aq0 s SER 233 Ca -0.01 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1aq0 s SER 233 Cb -0.04 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1aq0 s SER 233 CO 0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1aq0 n GLY 234 N 1.51 -1.29 2.99 9.45 0.00 -1.26 -0.44 105.19 116.16 1aq0 n GLY 234 Ca -0.09 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1aq0 n GLY 234 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1aq0 s TRP 235 N -2.50 -0.26 0.53 1.61 -0.11 -1.26 -4.66 118.94 112.29 1aq0 s TRP 235 Ca 0.00 0.66 -0.20 0.00 1.22 0.00 0.00 56.10 57.78 1aq0 s TRP 235 Cb 0.00 -0.02 -0.06 0.00 -1.50 0.00 0.00 33.47 31.89 1aq0 s TRP 235 CO 0.00 -0.21 1.15 -1.25 -4.62 0.00 0.00 176.95 172.02 1aq0 s PRO 236 N 1.32 3.40 0.00 5.86 0.04 -1.26 -4.63 135.00 139.73 1aq0 s PRO 236 Ca -0.08 1.69 0.25 0.00 0.04 0.00 0.00 61.00 62.90 1aq0 s PRO 236 Cb -0.11 -2.10 0.41 0.00 0.04 0.00 0.00 34.50 32.74 1aq0 s PRO 236 CO -0.07 -0.83 1.38 -1.13 0.04 0.00 0.00 177.00 176.39 1aq0 n SER 237 N -1.13 2.35 -3.60 6.66 3.41 -0.06 -3.31 113.62 117.93 1aq0 n SER 237 Ca 0.11 -1.73 0.02 0.00 -0.26 0.00 0.00 58.87 57.01 1aq0 n SER 237 Cb 0.50 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1aq0 n SER 237 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1aq0 s GLY 238 N -2.11 -0.42 0.00 5.00 0.00 -1.16 -3.15 107.32 105.48 1aq0 s GLY 238 Ca 0.29 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1aq0 s GLY 238 CO 0.36 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.26 1aq0 n GLY 239 N -0.45 0.78 3.83 0.20 0.00 -1.26 -3.95 105.19 104.34 1aq0 n GLY 239 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1aq0 n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aq0 s GLY 240 N -1.50 0.30 0.22 -0.02 0.00 -1.26 -3.37 107.32 101.68 1aq0 s GLY 240 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.78 1aq0 s GLY 240 CO 0.00 0.47 1.61 -1.59 0.00 0.00 0.00 173.10 173.59 1aq0 s THR 241 N -2.27 2.29 0.00 0.90 2.01 -1.26 -2.14 115.64 115.18 1aq0 s THR 241 Ca 0.17 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1aq0 s THR 241 Cb -0.04 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1aq0 s THR 241 CO 0.10 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.05 1aq0 n ALA 242 N 3.32 0.00 -2.88 7.40 0.00 -1.26 -4.91 120.51 122.18 1aq0 n ALA 242 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1aq0 n ALA 242 Cb 0.37 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1aq0 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aq0 s ALA 243 N -1.22 3.21 0.06 0.00 0.00 -0.91 -4.75 121.76 118.15 1aq0 s ALA 243 Ca 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 51.96 49.69 1aq0 s ALA 243 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 1aq0 s ALA 243 CO 0.00 -2.90 -0.04 0.95 0.00 0.00 0.00 175.76 173.77 1aq0 s THR 244 N 3.50 0.32 0.37 0.00 -4.23 -1.21 -2.99 115.64 111.40 1aq0 s THR 244 Ca 0.28 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1aq0 s THR 244 Cb -0.11 -1.52 0.28 0.00 1.34 0.00 0.00 72.50 72.48 1aq0 s THR 244 CO 0.01 -0.96 2.00 -0.65 -0.54 0.00 0.00 174.62 174.48 1aq0 h PRO 245 N 3.15 0.74 -0.54 3.99 0.11 -1.85 -0.98 132.00 136.62 1aq0 h PRO 245 Ca -0.34 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1aq0 h PRO 245 Cb 1.15 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1aq0 h PRO 245 CO 0.65 0.49 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 1aq0 h ALA 246 N 1.63 0.72 -0.16 -0.75 0.00 -1.96 -1.00 119.26 117.75 1aq0 h ALA 246 Ca 0.24 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1aq0 h ALA 246 Cb 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1aq0 h ALA 246 CO -0.06 0.54 -0.75 -0.91 0.00 0.00 0.00 179.25 178.06 1aq0 h ASN 247 N 0.82 0.89 -0.51 0.00 2.35 -1.75 -1.90 115.58 115.48 1aq0 h ASN 247 Ca 0.15 -0.57 -0.04 0.00 -0.55 0.00 0.00 56.30 55.28 1aq0 h ASN 247 Cb 0.53 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1aq0 h ASN 247 CO 0.03 1.37 0.14 0.00 -1.65 0.00 0.00 177.43 177.32 1aq0 h ALA 248 N 0.62 0.67 -0.27 -0.83 0.00 -1.14 -0.23 119.26 118.07 1aq0 h ALA 248 Ca -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1aq0 h ALA 248 Cb 1.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1aq0 h ALA 248 CO 0.15 0.34 0.06 -0.09 0.00 0.00 0.00 179.25 179.71 1aq0 h ARG 249 N 0.69 0.44 -0.38 0.00 2.43 -1.20 -0.95 114.38 115.42 1aq0 h ARG 249 Ca 0.16 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1aq0 h ARG 249 Cb 0.30 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1aq0 h ARG 249 CO -0.00 0.53 0.15 0.35 -1.51 0.00 0.00 179.97 179.49 1aq0 h PHE 250 N 0.27 0.26 0.71 2.20 3.04 -1.11 -0.10 116.94 122.21 1aq0 h PHE 250 Ca 0.09 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1aq0 h PHE 250 Cb 0.29 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 38.75 1aq0 h PHE 250 CO 0.01 0.11 -0.34 -0.92 -2.02 0.00 0.00 178.31 175.16 1aq0 h TYR 251 N 0.31 -0.88 -0.87 0.41 3.20 -0.89 -2.16 116.97 116.10 1aq0 h TYR 251 Ca 0.17 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1aq0 h TYR 251 Cb 0.14 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1aq0 h TYR 251 CO -0.14 -0.52 0.57 -0.91 -1.64 0.00 0.00 178.16 175.52 1aq0 h ASN 252 N -1.14 0.95 -0.06 -2.11 2.35 -1.11 0.15 115.58 114.62 1aq0 h ASN 252 Ca -0.10 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 1aq0 h ASN 252 Cb 0.76 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1aq0 h ASN 252 CO 0.16 0.66 -0.46 -0.61 -1.65 0.00 0.00 177.43 175.53 1aq0 h GLN 253 N 1.11 0.61 -0.26 0.81 5.75 -1.06 -1.31 115.11 120.76 1aq0 h GLN 253 Ca 0.34 -0.34 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 1aq0 h GLN 253 Cb -0.02 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1aq0 h GLN 253 CO -0.09 0.94 -0.42 0.45 -2.65 0.00 0.00 178.83 177.06 1aq0 h HIS 254 N 0.49 0.75 0.14 3.99 3.86 -0.80 -2.38 115.15 121.20 1aq0 h HIS 254 Ca 0.03 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1aq0 h HIS 254 Cb 0.99 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1aq0 h HIS 254 CO 0.04 0.94 -0.07 1.25 0.86 0.00 0.00 177.93 180.95 1aq0 h LEU 255 N 0.51 -0.16 -0.75 2.43 5.85 -0.46 -0.02 115.31 122.70 1aq0 h LEU 255 Ca 0.04 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1aq0 h LEU 255 Cb 0.94 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1aq0 h LEU 255 CO 0.08 -0.07 0.41 0.40 -0.34 0.00 0.00 178.44 178.92 1aq0 h ILE 256 N -0.24 0.90 0.00 4.05 2.04 -1.19 -0.75 117.51 122.33 1aq0 h ILE 256 Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1aq0 h ILE 256 Cb 0.19 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1aq0 h ILE 256 CO 0.03 0.13 0.00 0.78 0.00 0.00 0.00 178.15 179.09 1aq0 h ASN 257 N 0.70 0.00 0.09 1.72 2.35 -1.19 -3.35 115.58 115.91 1aq0 h ASN 257 Ca 0.36 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.74 1aq0 h ASN 257 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1aq0 h ASN 257 CO -0.24 0.00 -2.09 1.57 -1.65 0.00 0.00 177.43 175.02 1aq0 n HIS 258 N -2.46 0.96 0.34 1.19 -0.00 -0.04 -4.48 115.22 110.73 1aq0 n HIS 258 Ca 0.04 0.21 0.19 0.00 0.46 0.00 0.00 57.72 58.62 1aq0 n HIS 258 Cb 0.39 -1.12 1.00 0.00 -0.12 0.00 0.00 29.99 30.14 1aq0 n HIS 258 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 1aq0 h VAL 259 N 0.01 0.00 0.00 3.57 -1.51 -1.40 -1.25 116.25 115.66 1aq0 h VAL 259 Ca -0.46 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.92 1aq0 h VAL 259 Cb 1.98 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.94 1aq0 h VAL 259 CO 0.03 0.00 -0.44 1.23 -1.23 0.00 0.00 177.57 177.17 1aq0 h GLY 260 N 0.00 0.00 1.57 5.19 0.00 -1.79 0.92 103.07 108.96 1aq0 h GLY 260 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1aq0 h GLY 260 CO 0.00 0.00 -0.99 -0.09 0.00 0.00 0.00 176.54 175.46 1aq0 h ARG 261 N 0.00 0.00 0.00 4.80 2.43 -1.45 -2.77 114.38 117.39 1aq0 h ARG 261 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aq0 h ARG 261 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1aq0 h ARG 261 CO 0.06 0.50 0.00 0.41 -1.51 0.00 0.00 179.97 179.43 1aq0 n GLY 262 N 1.33 -1.67 3.83 2.80 0.00 -1.07 -1.74 105.19 108.67 1aq0 n GLY 262 Ca -0.04 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 1aq0 n GLY 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aq0 s THR 263 N 0.00 2.39 0.23 2.61 -4.23 -0.59 -4.87 115.64 111.18 1aq0 s THR 263 Ca 0.00 -1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1aq0 s THR 263 Cb 0.00 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.14 1aq0 s THR 263 CO 0.00 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.23 1aq0 h PRO 264 N 1.12 0.68 0.00 3.99 0.11 -1.90 -2.50 132.00 133.50 1aq0 h PRO 264 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1aq0 h PRO 264 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1aq0 h PRO 264 CO 0.62 0.45 -0.85 0.54 -0.21 0.00 0.00 178.00 178.55 1aq0 n ARG 265 N -4.80 0.38 -3.46 1.05 1.74 -1.26 -4.57 116.66 105.75 1aq0 n ARG 265 Ca 0.11 0.07 -0.27 0.00 -0.77 0.00 0.00 57.85 57.00 1aq0 n ARG 265 Cb 0.25 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 1aq0 n ARG 265 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1aq0 n HIS 266 N -2.23 0.51 -1.90 -1.55 8.25 -0.96 -5.12 115.22 112.21 1aq0 n HIS 266 Ca 0.02 -3.65 -0.35 0.00 -0.26 0.00 0.00 57.72 53.48 1aq0 n HIS 266 Cb 0.47 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.49 1aq0 n HIS 266 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1aq0 s PRO 267 N -0.78 2.85 0.00 -0.41 0.04 -1.08 -1.53 135.00 134.09 1aq0 s PRO 267 Ca 0.32 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1aq0 s PRO 267 Cb 0.06 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1aq0 s PRO 267 CO -0.16 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1aq0 n GLY 268 N 0.26 2.92 3.74 0.56 0.00 -0.71 -4.87 105.19 107.08 1aq0 n GLY 268 Ca 0.13 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1aq0 n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq0 n ALA 269 N 0.01 2.22 -3.22 4.61 0.00 -1.05 -2.58 120.51 120.50 1aq0 n ALA 269 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1aq0 n ALA 269 Cb 0.00 -2.41 -0.13 0.00 0.00 0.00 0.00 19.45 16.91 1aq0 n ALA 269 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aq0 s ILE 270 N -0.34 3.73 -0.01 0.00 1.01 0.31 -4.93 121.20 120.98 1aq0 s ILE 270 Ca 0.62 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 1aq0 s ILE 270 Cb -0.52 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 1aq0 s ILE 270 CO 0.53 0.43 1.59 -0.70 0.00 0.00 0.00 174.94 176.79 1aq0 s GLU 271 N 1.15 4.21 0.01 2.79 2.12 -1.26 -4.78 118.70 122.94 1aq0 s GLU 271 Ca 0.02 2.18 0.03 0.00 0.36 0.00 0.00 54.97 57.57 1aq0 s GLU 271 Cb -0.14 -3.78 -0.01 0.00 0.26 0.00 0.00 34.13 30.46 1aq0 s GLU 271 CO 0.01 -0.75 -0.11 0.99 -0.54 0.00 0.00 175.26 174.86 1aq0 s THR 272 N 3.25 0.82 -0.14 -1.70 2.01 -1.26 -1.01 115.64 117.61 1aq0 s THR 272 Ca 0.71 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1aq0 s THR 272 Cb -0.35 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1aq0 s THR 272 CO 0.29 0.11 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.85 1aq0 s TYR 273 N -0.49 2.29 0.04 4.92 1.51 -0.11 -0.53 117.35 124.98 1aq0 s TYR 273 Ca 0.02 -1.20 -0.26 0.00 -1.01 0.00 0.00 57.07 54.62 1aq0 s TYR 273 Cb -0.05 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 1aq0 s TYR 273 CO 0.00 -0.61 0.80 0.42 -1.11 0.00 0.00 175.55 175.06 1aq0 s ILE 274 N 1.13 4.73 -0.32 2.71 1.01 -0.23 -2.60 121.20 127.62 1aq0 s ILE 274 Ca -0.02 1.71 -0.09 0.00 0.00 0.00 0.00 60.65 62.26 1aq0 s ILE 274 Cb -0.14 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.18 1aq0 s ILE 274 CO -0.06 0.34 0.14 0.12 0.00 0.00 0.00 174.94 175.48 1aq0 s PHE 275 N 0.08 3.19 0.33 3.97 5.36 0.42 -0.44 117.98 130.89 1aq0 s PHE 275 Ca 0.41 -0.86 -0.09 0.00 -0.96 0.00 0.00 56.93 55.43 1aq0 s PHE 275 Cb -0.21 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.15 1aq0 s PHE 275 CO 0.24 -0.56 0.56 0.00 -1.46 0.00 0.00 175.22 174.00 1aq0 s ALA 276 N 1.55 0.12 0.07 11.12 0.00 -0.36 -4.27 121.76 129.98 1aq0 s ALA 276 Ca 0.03 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 1aq0 s ALA 276 Cb -0.18 1.01 -0.16 0.00 0.00 0.00 0.00 23.12 23.78 1aq0 s ALA 276 CO 0.05 -0.86 1.64 1.98 0.00 0.00 0.00 175.76 178.57 1aq0 h MET 277 N 2.11 -0.23 -5.77 0.00 4.05 -1.34 -1.03 114.93 112.71 1aq0 h MET 277 Ca -0.29 0.02 -0.50 0.00 -0.28 0.00 0.00 59.70 58.65 1aq0 h MET 277 Cb 1.24 0.05 -0.14 0.00 -0.80 0.00 0.00 31.60 31.95 1aq0 h MET 277 CO 0.38 -0.10 -0.74 -0.06 0.23 0.00 0.00 176.91 176.62 1aq0 s PHE 278 N -5.91 1.90 0.22 1.39 0.08 -1.26 -0.81 117.98 113.58 1aq0 s PHE 278 Ca -0.14 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.11 1aq0 s PHE 278 Cb 0.05 -0.86 -0.08 0.00 -0.57 0.00 0.00 43.02 41.56 1aq0 s PHE 278 CO 0.64 0.47 1.15 -0.80 -0.10 0.00 0.00 175.22 176.59 1aq0 s ASN 279 N -3.37 7.17 -0.31 1.36 0.01 -1.08 -3.70 114.94 115.02 1aq0 s ASN 279 Ca 0.25 2.22 -0.04 0.00 -0.71 0.00 0.00 52.86 54.58 1aq0 s ASN 279 Cb -0.02 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.07 1aq0 s ASN 279 CO 0.09 -0.27 0.04 -1.61 -1.51 0.00 0.00 177.10 173.84 1aq0 s GLU 280 N -0.68 2.59 0.01 -0.60 2.02 -1.25 -4.74 118.70 116.05 1aq0 s GLU 280 Ca 0.49 -1.18 0.15 0.00 0.02 0.00 0.00 54.97 54.46 1aq0 s GLU 280 Cb -0.32 -3.28 0.63 0.00 0.10 0.00 0.00 34.13 31.26 1aq0 s GLU 280 CO 0.38 -0.60 1.47 0.27 0.02 0.00 0.00 175.26 176.80 1aq0 n ASN 281 N 4.72 0.04 -1.49 -0.19 6.94 -1.24 -3.04 115.26 120.98 1aq0 n ASN 281 Ca -0.13 0.51 0.10 0.00 -0.02 0.00 0.00 54.58 55.04 1aq0 n ASN 281 Cb 0.44 -0.52 0.34 0.00 -2.36 0.00 0.00 39.78 37.69 1aq0 n ASN 281 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aq0 n GLN 282 N -1.54 3.30 -2.70 -3.83 6.02 -0.64 -4.93 117.38 113.06 1aq0 n GLN 282 Ca 0.03 -2.75 -0.23 0.00 -0.01 0.00 0.00 57.00 54.05 1aq0 n GLN 282 Cb 0.17 -1.76 0.10 0.00 1.02 0.00 0.00 30.24 29.77 1aq0 n GLN 282 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1aq0 s LYS 283 N -1.52 1.76 0.56 -1.09 1.02 -1.17 -4.93 119.74 114.38 1aq0 s LYS 283 Ca 0.50 -1.27 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 1aq0 s LYS 283 Cb 0.30 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 1aq0 s LYS 283 CO 0.28 -1.36 1.36 -0.51 -0.92 0.00 0.00 175.35 174.20 1aq0 s ASP 284 N -4.74 5.18 0.33 2.83 1.01 -1.26 -4.82 116.67 115.19 1aq0 s ASP 284 Ca 0.66 2.76 -0.29 0.00 0.71 0.00 0.00 52.55 56.39 1aq0 s ASP 284 Cb -0.05 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1aq0 s ASP 284 CO 0.43 -1.63 1.34 -0.94 0.21 0.00 0.00 175.17 174.58 1aq0 s SER 285 N -0.99 6.72 0.00 0.27 1.04 -1.26 -3.48 113.70 116.00 1aq0 s SER 285 Ca 0.73 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.88 1aq0 s SER 285 Cb -0.40 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.07 1aq0 s SER 285 CO 0.47 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1aq0 n GLY 286 N 0.92 0.16 0.33 7.32 0.00 -1.26 -4.70 105.19 107.96 1aq0 n GLY 286 Ca 0.01 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.16 1aq0 n GLY 286 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1aq0 h VAL 287 N 0.00 0.97 -0.19 1.61 -1.51 -1.68 -2.70 116.25 112.75 1aq0 h VAL 287 Ca 0.00 -0.14 0.06 0.00 -1.23 0.00 0.00 66.70 65.39 1aq0 h VAL 287 Cb 0.00 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 29.69 1aq0 h VAL 287 CO 0.00 0.07 0.23 -0.33 -1.23 0.00 0.00 177.57 176.31 1aq0 h GLU 288 N 0.40 0.00 -0.40 5.19 4.39 -1.84 0.11 114.58 122.43 1aq0 h GLU 288 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1aq0 h GLU 288 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1aq0 h GLU 288 CO -0.05 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.84 1aq0 n GLN 289 N -3.71 2.29 -2.44 2.33 6.02 -1.02 -4.43 117.38 116.43 1aq0 n GLN 289 Ca 0.02 -1.97 -0.13 0.00 -0.01 0.00 0.00 57.00 54.91 1aq0 n GLN 289 Cb 0.35 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 30.17 1aq0 n GLN 289 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1aq0 n ASN 290 N 1.15 3.29 -0.44 1.08 3.02 0.39 -3.91 115.26 119.84 1aq0 n ASN 290 Ca 0.19 -2.97 0.11 0.00 -0.03 0.00 0.00 54.58 51.88 1aq0 n ASN 290 Cb 0.51 -0.42 0.07 0.00 -0.61 0.00 0.00 39.78 39.33 1aq0 n ASN 290 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1aq0 n TRP 291 N -0.60 0.00 -2.37 3.10 7.02 -1.25 -0.88 117.44 122.47 1aq0 n TRP 291 Ca 0.26 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.40 1aq0 n TRP 291 Cb 0.86 -0.02 -0.01 0.00 -2.42 0.00 0.00 31.31 29.72 1aq0 n TRP 291 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1aq0 s GLY 292 N -2.49 2.54 0.15 6.99 0.00 -1.24 -1.23 107.32 112.04 1aq0 s GLY 292 Ca 0.19 0.70 0.17 0.00 0.00 0.00 0.00 44.72 45.78 1aq0 s GLY 292 CO 0.57 1.03 1.06 1.41 0.00 0.00 0.00 173.10 177.17 1aq0 h LEU 293 N 1.30 0.00 -8.55 0.66 3.38 -0.38 -3.45 115.31 108.27 1aq0 h LEU 293 Ca -0.50 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.07 1aq0 h LEU 293 Cb 1.24 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.80 1aq0 h LEU 293 CO 0.58 0.49 -0.76 -0.36 0.09 0.00 0.00 178.44 178.48 1aq0 s PHE 294 N -2.98 1.34 0.49 1.13 0.40 0.01 -1.59 117.98 116.77 1aq0 s PHE 294 Ca -0.00 -0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 55.71 1aq0 s PHE 294 Cb 0.08 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.86 1aq0 s PHE 294 CO 0.79 0.11 0.83 0.71 0.70 0.00 0.00 175.22 178.36 1aq0 s TYR 295 N -1.96 3.55 0.64 0.36 2.02 0.31 -2.64 117.35 119.63 1aq0 s TYR 295 Ca 0.06 0.98 0.34 0.00 -0.37 0.00 0.00 57.07 58.08 1aq0 s TYR 295 Cb -0.06 -2.43 1.86 0.00 -0.40 0.00 0.00 41.96 40.93 1aq0 s TYR 295 CO 0.03 -0.31 2.10 -1.35 -1.57 0.00 0.00 175.55 174.44 1aq0 h PRO 296 N 0.40 0.00 -0.07 -1.71 0.11 -1.87 0.30 132.00 129.16 1aq0 h PRO 296 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1aq0 h PRO 296 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1aq0 h PRO 296 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1aq0 n ASN 297 N -3.23 0.56 0.00 -2.05 6.94 -1.26 -4.31 115.26 111.91 1aq0 n ASN 297 Ca -0.01 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 1aq0 n ASN 297 Cb 0.29 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1aq0 n ASN 297 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1aq0 n MET 298 N -0.34 0.00 -3.03 -3.83 2.81 0.10 -5.04 117.12 107.79 1aq0 n MET 298 Ca 0.11 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.64 1aq0 n MET 298 Cb 0.13 -2.32 -0.06 0.00 -0.71 0.00 0.00 33.22 30.26 1aq0 n MET 298 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1aq0 s GLN 299 N -0.12 4.29 0.29 0.03 -1.52 -1.25 -4.81 119.66 116.56 1aq0 s GLN 299 Ca 0.00 0.95 -0.29 0.00 -1.95 0.00 0.00 55.36 54.07 1aq0 s GLN 299 Cb 0.00 -2.77 -0.10 0.00 -0.22 0.00 0.00 33.01 29.92 1aq0 s GLN 299 CO 0.00 0.32 1.31 -1.01 -0.25 0.00 0.00 175.29 175.66 1aq0 s HIS 300 N -1.63 3.14 0.19 0.91 3.76 -1.26 -0.53 115.29 119.86 1aq0 s HIS 300 Ca 0.47 1.34 0.07 0.00 -0.15 0.00 0.00 55.06 56.79 1aq0 s HIS 300 Cb -0.16 -3.65 0.05 0.00 1.11 0.00 0.00 32.58 29.93 1aq0 s HIS 300 CO 0.21 -1.86 1.42 0.28 -0.85 0.00 0.00 174.74 173.94 1aq0 h VAL 301 N 3.26 1.55 -2.45 -0.90 2.07 -1.61 -3.45 116.25 114.73 1aq0 h VAL 301 Ca -0.47 -2.72 -0.02 0.00 0.82 0.00 0.00 66.70 64.31 1aq0 h VAL 301 Cb 1.22 2.48 -0.16 0.00 -1.52 0.00 0.00 31.29 33.32 1aq0 h VAL 301 CO 0.70 0.78 0.24 -0.72 0.02 0.00 0.00 177.57 178.59 1aq0 s TYR 302 N -3.18 -0.57 0.35 1.57 -0.85 -1.26 -4.98 117.35 108.44 1aq0 s TYR 302 Ca -0.01 0.68 -0.27 0.00 -0.52 0.00 0.00 57.07 56.94 1aq0 s TYR 302 Cb 0.11 0.49 -0.09 0.00 0.38 0.00 0.00 41.96 42.85 1aq0 s TYR 302 CO 0.80 -0.70 1.22 -2.14 -1.52 0.00 0.00 175.55 173.22 1aq0 s PRO 303 N -2.48 4.26 -0.10 -3.49 0.02 -1.26 -4.99 135.00 126.96 1aq0 s PRO 303 Ca -0.04 2.01 -0.07 0.00 0.02 0.00 0.00 61.00 62.92 1aq0 s PRO 303 Cb -0.01 -2.92 0.04 0.00 0.02 0.00 0.00 34.50 31.63 1aq0 s PRO 303 CO -0.02 -0.19 0.25 0.42 -0.33 0.00 0.00 177.00 177.12 1aq0 s ILE 304 N -1.25 -0.02 -0.33 2.83 -1.09 -1.26 -4.95 121.20 115.13 1aq0 s ILE 304 Ca 0.52 0.07 -0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1aq0 s ILE 304 Cb -0.35 -0.37 0.04 0.00 -1.58 0.00 0.00 42.46 40.20 1aq0 s ILE 304 CO 0.45 0.03 0.09 0.20 -1.23 0.00 0.00 174.94 174.49 1aq0 s ASN 305 N 0.71 5.26 0.00 3.58 0.01 -1.26 -5.16 114.94 118.07 1aq0 s ASN 305 Ca -0.05 -1.12 0.31 0.00 -0.71 0.00 0.00 52.86 51.30 1aq0 s ASN 305 Cb -0.06 -1.85 1.78 0.00 0.41 0.00 0.00 41.25 41.52 1aq0 s ASN 305 CO -0.04 -0.31 2.15 0.49 -1.51 0.00 0.00 177.10 177.88