#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 2.29 0.00 4.50 0.00 0.20 -3.03 107.32 111.28 1aq0 s GLY 2 Ca 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 44.72 42.65 1aq0 s GLY 2 CO 0.00 -1.90 -0.04 0.14 0.00 0.00 0.00 173.10 171.30 1aq0 s VAL 3 N -2.58 0.32 -0.09 1.40 1.01 -0.32 -0.84 120.40 119.31 1aq0 s VAL 3 Ca 0.40 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 1aq0 s VAL 3 Cb 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1aq0 s VAL 3 CO 0.22 0.04 0.84 0.00 0.00 0.00 0.00 175.10 176.20 1aq0 n TYR 5 N 4.48 4.63 -2.41 0.00 4.19 -0.11 -1.18 117.16 126.75 1aq0 n TYR 5 Ca 0.04 -3.55 -0.39 0.00 3.31 0.00 0.00 57.90 57.30 1aq0 n TYR 5 Cb 0.50 -1.72 -0.03 0.00 0.49 0.00 0.00 39.34 38.57 1aq0 n TYR 5 CO 0.00 0.00 0.00 0.20 0.91 0.00 0.00 176.86 177.97 1aq0 s GLY 6 N 1.01 2.92 -0.12 2.98 0.00 -1.26 -4.62 107.32 108.23 1aq0 s GLY 6 Ca 0.33 0.89 0.15 0.00 0.00 0.00 0.00 44.72 46.10 1aq0 s GLY 6 CO -0.03 1.43 1.14 1.03 0.00 0.00 0.00 173.10 176.67 1aq0 n MET 7 N 0.51 1.09 -1.94 2.90 0.00 -1.26 -4.79 117.12 113.63 1aq0 n MET 7 Ca 0.02 -2.47 -0.42 0.00 0.00 0.00 0.00 57.70 54.84 1aq0 n MET 7 Cb 0.46 -1.31 -0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 -1.08 4.89 -3.50 7.83 7.64 -1.26 -4.82 113.62 123.32 1aq0 n SER 8 Ca 0.14 -2.94 -0.11 0.00 1.01 0.00 0.00 58.87 56.97 1aq0 n SER 8 Cb 0.68 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.29 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 1.83 -1.55 -0.49 -0.43 0.00 -1.26 -1.40 121.76 118.47 1aq0 s ALA 9 Ca 0.46 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1aq0 s ALA 9 Cb 0.13 0.86 0.18 0.00 0.00 0.00 0.00 23.12 24.29 1aq0 s ALA 9 CO -0.05 -0.82 1.15 0.27 0.00 0.00 0.00 175.76 176.31 1aq0 n ASN 10 N -0.39 2.54 -0.91 0.00 0.23 -1.26 -4.66 115.26 110.81 1aq0 n ASN 10 Ca -0.14 -2.05 0.04 0.00 -0.53 0.00 0.00 54.58 51.89 1aq0 n ASN 10 Cb 0.64 -0.14 0.06 0.00 -2.08 0.00 0.00 39.78 38.25 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 0.00 0.95 -4.87 0.53 6.94 -1.26 -5.10 115.26 112.46 1aq0 n ASN 11 Ca 0.07 -2.41 -0.31 0.00 -0.02 0.00 0.00 54.58 51.91 1aq0 n ASN 11 Cb 0.37 -0.32 -0.01 0.00 -2.36 0.00 0.00 39.78 37.46 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 -0.81 3.52 0.85 -4.53 1.43 -1.26 -4.78 118.68 113.09 1aq0 s LEU 12 Ca 0.24 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 1aq0 s LEU 12 Cb 0.26 -4.30 0.10 0.00 0.03 0.00 0.00 46.19 42.28 1aq0 s LEU 12 CO -0.08 -0.65 1.10 -2.84 0.23 0.00 0.00 176.35 174.11 1aq0 s PRO 13 N -4.53 1.64 0.71 1.29 0.02 -1.26 -4.98 135.00 127.89 1aq0 s PRO 13 Ca 0.54 1.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.60 1aq0 s PRO 13 Cb -0.10 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.62 1aq0 s PRO 13 CO 0.42 -2.08 1.24 0.00 -0.33 0.00 0.00 177.00 176.24 1aq0 s ALA 14 N -2.82 2.18 0.31 -1.55 0.00 -1.26 -4.77 121.76 113.85 1aq0 s ALA 14 Ca 0.63 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1aq0 s ALA 14 Cb -0.19 -3.51 0.65 0.00 0.00 0.00 0.00 23.12 20.07 1aq0 s ALA 14 CO 0.57 -1.82 1.86 0.00 0.00 0.00 0.00 175.76 176.36 1aq0 h ALA 15 N -0.03 1.64 -0.12 0.00 0.00 -1.93 -1.16 119.26 117.66 1aq0 h ALA 15 Ca -0.49 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1aq0 h ALA 15 Cb 1.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1aq0 h ALA 15 CO 0.51 0.13 -0.19 0.66 0.00 0.00 0.00 179.25 180.35 1aq0 h SER 16 N 0.88 0.19 -0.11 0.00 4.64 -1.90 -0.93 113.55 116.32 1aq0 h SER 16 Ca 0.46 -0.05 -0.23 0.00 -0.47 0.00 0.00 61.79 61.51 1aq0 h SER 16 Cb 0.54 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1aq0 h SER 16 CO -0.23 0.40 -0.80 0.74 -0.87 0.00 0.00 176.83 176.07 1aq0 h THR 17 N 0.18 1.28 -0.52 2.95 2.02 -1.59 -2.53 112.91 114.71 1aq0 h THR 17 Ca 0.03 -2.01 -0.02 0.00 0.77 0.00 0.00 66.41 65.18 1aq0 h THR 17 Cb 0.46 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1aq0 h THR 17 CO 0.03 0.63 0.24 0.58 0.37 0.00 0.00 175.52 177.38 1aq0 h VAL 18 N 0.51 1.20 -0.60 3.16 2.07 -0.86 -1.12 116.25 120.62 1aq0 h VAL 18 Ca -0.06 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1aq0 h VAL 18 Cb 1.43 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1aq0 h VAL 18 CO 0.16 0.23 0.33 0.58 0.02 0.00 0.00 177.57 178.89 1aq0 h VAL 19 N 0.70 1.18 -0.78 2.57 2.07 -1.18 -0.79 116.25 120.02 1aq0 h VAL 19 Ca 0.18 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1aq0 h VAL 19 Cb 0.13 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1aq0 h VAL 19 CO -0.02 0.20 0.31 0.28 0.02 0.00 0.00 177.57 178.36 1aq0 h SER 20 N 0.83 1.07 -0.30 0.57 0.02 -0.86 -2.03 113.55 112.86 1aq0 h SER 20 Ca 0.21 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1aq0 h SER 20 Cb 0.02 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1aq0 h SER 20 CO -0.04 0.95 -0.01 0.24 -1.14 0.00 0.00 176.83 176.84 1aq0 h MET 21 N 1.13 0.64 -0.16 3.45 2.07 0.01 -0.58 114.93 121.48 1aq0 h MET 21 Ca 0.26 -0.16 -0.01 0.00 -2.07 0.00 0.00 59.70 57.73 1aq0 h MET 21 Cb 0.22 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 1aq0 h MET 21 CO -0.02 0.67 0.07 0.74 1.07 0.00 0.00 176.91 179.44 1aq0 h PHE 22 N 0.60 0.24 0.25 -0.22 -1.00 -0.61 -2.05 116.94 114.14 1aq0 h PHE 22 Ca 0.12 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 1aq0 h PHE 22 Cb 0.39 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.88 1aq0 h PHE 22 CO 0.02 0.28 -0.12 0.87 -1.61 0.00 0.00 178.31 177.75 1aq0 h LYS 23 N 0.12 -0.32 0.00 1.51 1.57 -1.11 -1.00 116.57 117.33 1aq0 h LYS 23 Ca 0.05 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1aq0 h LYS 23 Cb 0.14 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1aq0 h LYS 23 CO -0.01 -0.14 -0.06 0.66 -0.57 0.00 0.00 179.45 179.34 1aq0 h SER 24 N -0.43 0.00 0.06 0.86 4.64 -1.13 -2.55 113.55 115.00 1aq0 h SER 24 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1aq0 h SER 24 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1aq0 h SER 24 CO 0.06 0.06 -0.42 0.59 -0.87 0.00 0.00 176.83 176.24 1aq0 n ASN 25 N -3.39 1.70 0.00 4.97 3.02 -0.77 -4.98 115.26 115.81 1aq0 n ASN 25 Ca -0.02 -1.31 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1aq0 n ASN 25 Cb 0.20 0.39 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 1.40 0.39 3.64 7.41 0.00 -0.79 -4.43 105.19 112.81 1aq0 n GLY 26 Ca 0.10 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 4.66 -0.01 -0.61 1.01 -0.45 -4.86 121.20 118.95 1aq0 s ILE 27 Ca 0.00 1.66 0.11 0.00 0.00 0.00 0.00 60.65 62.42 1aq0 s ILE 27 Cb 0.00 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 1aq0 s ILE 27 CO 0.00 -0.30 1.27 0.11 0.00 0.00 0.00 174.94 176.02 1aq0 h LYS 28 N 7.88 0.00 -5.00 2.79 1.57 -1.84 -3.42 116.57 118.55 1aq0 h LYS 28 Ca -0.21 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.23 1aq0 h LYS 28 Cb 1.07 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.19 1aq0 h LYS 28 CO 0.97 0.74 -0.74 -1.12 -0.57 0.00 0.00 179.45 178.73 1aq0 s SER 29 N -6.52 1.44 -0.03 0.86 0.01 -1.23 -1.14 113.70 107.10 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 0.09 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1aq0 s SER 29 CO 0.79 -0.22 -0.06 -0.32 0.41 0.00 0.00 173.24 173.84 1aq0 s MET 30 N -2.46 0.79 -0.21 12.44 1.75 0.36 -1.17 119.30 130.81 1aq0 s MET 30 Ca 0.02 -0.20 -0.05 0.00 -1.25 0.00 0.00 55.69 54.22 1aq0 s MET 30 Cb -0.05 -0.77 -0.02 0.00 2.84 0.00 0.00 34.83 36.83 1aq0 s MET 30 CO 0.01 0.03 -0.01 0.50 -0.65 0.00 0.00 175.02 174.90 1aq0 s ARG 31 N 0.42 3.54 -0.07 4.11 3.52 -0.58 -0.95 118.95 128.94 1aq0 s ARG 31 Ca -0.06 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1aq0 s ARG 31 Cb -0.10 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1aq0 s ARG 31 CO 0.00 -0.07 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.88 1aq0 s LEU 32 N 1.20 3.37 0.00 -0.88 1.43 0.34 -0.94 118.68 123.20 1aq0 s LEU 32 Ca 0.03 0.06 0.26 0.00 -1.03 0.00 0.00 54.13 53.44 1aq0 s LEU 32 Cb -0.15 -1.76 0.66 0.00 0.03 0.00 0.00 46.19 44.97 1aq0 s LEU 32 CO 0.01 0.37 1.51 -1.22 0.23 0.00 0.00 176.35 177.24 1aq0 n TYR 33 N 2.15 0.00 -3.58 0.29 4.02 -1.26 -1.35 117.16 117.43 1aq0 n TYR 33 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.56 1aq0 n TYR 33 Cb 0.53 -0.20 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 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 -2.77 -1.38 -1.14 -0.72 0.00 -1.25 -3.90 121.76 110.59 1aq0 s ALA 34 Ca 0.17 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1aq0 s ALA 34 Cb 0.18 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1aq0 s ALA 34 CO 0.61 -0.46 2.12 -0.35 0.00 0.00 0.00 175.76 177.68 1aq0 n PRO 35 N 0.57 2.26 -1.83 0.00 -0.04 -1.24 -4.63 135.00 130.10 1aq0 n PRO 35 Ca -0.19 -2.21 -0.42 0.00 -0.04 0.00 0.00 63.50 60.64 1aq0 n PRO 35 Cb 0.59 -3.08 -0.03 0.00 -0.04 0.00 0.00 33.50 30.94 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 3.96 6.54 0.17 3.54 3.84 -1.26 -4.91 114.94 126.82 1aq0 s ASN 36 Ca 0.52 2.52 -0.13 0.00 0.21 0.00 0.00 52.86 55.98 1aq0 s ASN 36 Cb 0.14 -2.54 0.07 0.00 -0.55 0.00 0.00 41.25 38.37 1aq0 s ASN 36 CO 0.00 -0.97 1.80 1.56 -2.79 0.00 0.00 177.10 176.70 1aq0 h GLN 37 N 9.54 0.77 -0.53 0.43 4.20 -1.99 -0.43 115.11 127.11 1aq0 h GLN 37 Ca -0.45 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 1aq0 h GLN 37 Cb 1.21 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1aq0 h GLN 37 CO 0.94 0.56 0.26 0.00 -0.67 0.00 0.00 178.83 179.93 1aq0 h ALA 38 N 1.16 0.68 -0.24 3.87 0.00 -1.99 -1.32 119.26 121.42 1aq0 h ALA 38 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1aq0 h ALA 38 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1aq0 h ALA 38 CO -0.04 0.24 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1aq0 h ALA 39 N 1.10 0.32 -0.24 0.00 0.00 -1.87 -1.83 119.26 116.74 1aq0 h ALA 39 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1aq0 h ALA 39 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1aq0 h ALA 39 CO -0.02 0.07 -0.09 -0.07 0.00 0.00 0.00 179.25 179.14 1aq0 h LEU 40 N 0.19 0.35 -0.31 0.00 3.38 -0.98 -0.19 115.31 117.76 1aq0 h LEU 40 Ca 0.07 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1aq0 h LEU 40 Cb 0.44 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1aq0 h LEU 40 CO 0.02 0.48 -0.39 1.56 0.09 0.00 0.00 178.44 180.20 1aq0 h GLN 41 N 0.36 0.80 0.00 1.13 4.20 -1.15 -3.16 115.11 117.30 1aq0 h GLN 41 Ca 0.07 -0.46 -0.15 0.00 0.06 0.00 0.00 58.65 58.18 1aq0 h GLN 41 Cb 0.38 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1aq0 h GLN 41 CO 0.02 1.09 -0.72 0.00 -0.67 0.00 0.00 178.83 178.55 1aq0 h ALA 42 N 0.70 0.81 0.00 3.87 0.00 -0.89 -3.25 119.26 120.50 1aq0 h ALA 42 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1aq0 h ALA 42 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1aq0 h ALA 42 CO 0.09 0.89 -0.23 1.55 0.00 0.00 0.00 179.25 181.55 1aq0 n VAL 43 N -3.67 0.36 -1.88 0.00 3.14 -0.12 -4.87 118.33 111.28 1aq0 n VAL 43 Ca -0.01 -0.20 -0.41 0.00 -2.96 0.00 0.00 64.34 60.76 1aq0 n VAL 43 Cb 0.70 -0.35 -0.01 0.00 -1.06 0.00 0.00 33.84 33.12 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 -3.44 2.70 -0.22 7.55 0.00 -1.19 -2.83 107.32 109.88 1aq0 s GLY 44 Ca 0.10 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1aq0 s GLY 44 CO 0.63 2.26 0.00 0.61 0.00 0.00 0.00 173.10 176.61 1aq0 n GLY 45 N 1.10 0.49 0.00 0.20 0.00 0.86 -4.89 105.19 102.97 1aq0 n GLY 45 Ca 0.03 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.67 0.00 -0.12 2.61 -2.24 -1.13 -4.98 114.28 105.76 1aq0 n THR 46 Ca -0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1aq0 n THR 46 Cb 0.21 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.41 1.77 3.70 3.38 0.00 -1.26 -5.01 105.19 109.17 1aq0 n GLY 47 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.77 3.69 0.27 -0.61 1.01 -1.26 -4.97 121.20 116.56 1aq0 s ILE 48 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 1aq0 s ILE 48 Cb 0.00 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1aq0 s ILE 48 CO 0.00 0.05 1.12 0.20 0.00 0.00 0.00 174.94 176.31 1aq0 s ASN 49 N 1.42 7.22 -0.08 3.58 0.01 -0.29 -4.25 114.94 122.55 1aq0 s ASN 49 Ca 0.62 2.28 0.04 0.00 -0.71 0.00 0.00 52.86 55.10 1aq0 s ASN 49 Cb -0.32 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 38.71 1aq0 s ASN 49 CO 0.28 -0.19 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.76 1aq0 s VAL 50 N -1.00 1.91 -0.29 1.60 1.01 -0.08 -0.49 120.40 123.06 1aq0 s VAL 50 Ca 0.46 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1aq0 s VAL 50 Cb -0.32 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1aq0 s VAL 50 CO 0.41 0.53 0.09 -0.69 0.00 0.00 0.00 175.10 175.44 1aq0 s VAL 51 N 0.22 4.08 -0.13 2.92 1.01 -0.12 -0.50 120.40 127.88 1aq0 s VAL 51 Ca -0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1aq0 s VAL 51 Cb -0.16 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1aq0 s VAL 51 CO 0.07 0.11 -0.03 0.54 0.00 0.00 0.00 175.10 175.79 1aq0 s VAL 52 N 1.53 4.00 0.14 2.92 0.11 -0.66 -0.51 120.40 127.92 1aq0 s VAL 52 Ca 0.03 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1aq0 s VAL 52 Cb -0.17 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1aq0 s VAL 52 CO 0.03 0.53 0.24 -0.83 -3.33 0.00 0.00 175.10 171.74 1aq0 s GLY 53 N -0.07 1.79 -0.37 6.54 0.00 -0.46 -0.38 107.32 114.37 1aq0 s GLY 53 Ca 0.02 -1.04 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 1aq0 s GLY 53 CO 0.02 -1.03 0.19 0.00 0.00 0.00 0.00 173.10 172.28 1aq0 s ALA 54 N -1.69 3.21 0.73 3.20 0.00 0.06 -3.60 121.76 123.66 1aq0 s ALA 54 Ca 0.34 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1aq0 s ALA 54 Cb -0.11 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1aq0 s ALA 54 CO 0.27 -1.44 0.91 -0.35 0.00 0.00 0.00 175.76 175.16 1aq0 n PRO 55 N 4.92 0.44 -0.09 0.00 -0.04 -1.25 -1.41 135.00 137.58 1aq0 n PRO 55 Ca -0.12 0.21 0.18 0.00 -0.04 0.00 0.00 63.50 63.73 1aq0 n PRO 55 Cb 0.45 -2.18 0.59 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.34 0.21 0.82 3.54 2.35 -1.91 -1.82 115.58 118.43 1aq0 h ASN 56 Ca -0.47 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1aq0 h ASN 56 Cb 1.33 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1aq0 h ASN 56 CO 0.46 0.11 0.00 -2.24 -1.65 0.00 0.00 177.43 174.11 1aq0 h ASP 57 N 0.23 0.00 -0.02 5.81 2.03 -2.02 -2.88 116.42 119.57 1aq0 h ASP 57 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 1aq0 h ASP 57 Cb 0.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1aq0 h ASP 57 CO -0.06 0.00 -0.23 1.33 -1.03 0.00 0.00 179.24 179.25 1aq0 n VAL 58 N -2.41 0.00 0.01 4.15 0.24 -0.69 -4.63 118.33 115.00 1aq0 n VAL 58 Ca 0.02 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 1aq0 n VAL 58 Cb 0.25 1.35 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 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 3.27 -0.44 -1.60 1.34 4.07 -1.55 -2.48 115.31 117.92 1aq0 h LEU 59 Ca 0.00 0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.10 1aq0 h LEU 59 Cb 0.81 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 1aq0 h LEU 59 CO 0.00 -0.19 0.36 0.77 -1.08 0.00 0.00 178.44 178.30 1aq0 h SER 60 N -0.19 0.43 -0.23 -0.43 4.64 -1.82 -1.01 113.55 114.94 1aq0 h SER 60 Ca 0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1aq0 h SER 60 Cb 0.31 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1aq0 h SER 60 CO -0.21 0.28 -0.31 0.78 -0.87 0.00 0.00 176.83 176.50 1aq0 h ASN 61 N 0.49 0.67 -0.22 4.97 4.21 -1.81 -1.73 115.58 122.15 1aq0 h ASN 61 Ca 0.23 -0.51 -0.07 0.00 1.21 0.00 0.00 56.30 57.16 1aq0 h ASN 61 Cb 0.29 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 1aq0 h ASN 61 CO -0.06 1.05 -0.10 -0.07 -1.29 0.00 0.00 177.43 176.96 1aq0 h LEU 62 N 0.30 0.57 -0.28 1.61 3.38 -0.97 -2.10 115.31 117.83 1aq0 h LEU 62 Ca 0.02 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 1aq0 h LEU 62 Cb 0.89 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1aq0 h LEU 62 CO 0.07 0.71 -0.76 0.00 0.09 0.00 0.00 178.44 178.55 1aq0 h ALA 63 N 1.35 0.45 0.00 1.53 0.00 -1.16 -3.30 119.26 118.14 1aq0 h ALA 63 Ca 0.10 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1aq0 h ALA 63 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1aq0 h ALA 63 CO 0.03 0.73 -0.64 0.00 0.00 0.00 0.00 179.25 179.36 1aq0 h ALA 64 N 0.75 0.59 -3.25 0.00 0.00 -1.20 -3.42 119.26 112.73 1aq0 h ALA 64 Ca -0.04 -0.58 -0.44 0.00 0.00 0.00 0.00 54.91 53.85 1aq0 h ALA 64 Cb 1.36 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.67 1aq0 h ALA 64 CO 0.14 0.79 -0.76 0.45 0.00 0.00 0.00 179.25 179.88 1aq0 s SER 65 N -6.52 1.78 0.41 0.00 0.15 -0.80 -4.99 113.70 103.73 1aq0 s SER 65 Ca 0.03 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.53 1aq0 s SER 65 Cb 0.08 -0.39 0.86 0.00 -1.71 0.00 0.00 66.02 64.87 1aq0 s SER 65 CO 0.77 -0.24 2.06 -0.65 1.20 0.00 0.00 173.24 176.38 1aq0 h PRO 66 N 8.35 0.53 -0.48 5.44 0.11 -1.88 -1.48 132.00 142.59 1aq0 h PRO 66 Ca -0.17 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.82 1aq0 h PRO 66 Cb 1.13 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1aq0 h PRO 66 CO 0.25 0.35 -0.05 0.00 -0.21 0.00 0.00 178.00 178.35 1aq0 h ALA 67 N 1.74 1.01 -0.44 -0.75 0.00 -1.94 0.06 119.26 118.94 1aq0 h ALA 67 Ca 0.15 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1aq0 h ALA 67 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1aq0 h ALA 67 CO -0.03 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.66 1aq0 h ALA 68 N 1.18 0.89 -0.49 0.00 0.00 -1.60 -0.61 119.26 118.63 1aq0 h ALA 68 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1aq0 h ALA 68 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1aq0 h ALA 68 CO 0.03 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 1aq0 h ALA 69 N 1.08 0.67 -0.24 0.00 0.00 -0.96 0.88 119.26 120.68 1aq0 h ALA 69 Ca 0.11 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1aq0 h ALA 69 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1aq0 h ALA 69 CO 0.05 0.53 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1aq0 h ALA 70 N 0.91 1.20 -0.29 0.00 0.00 -0.78 -1.03 119.26 119.27 1aq0 h ALA 70 Ca 0.13 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1aq0 h ALA 70 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1aq0 h ALA 70 CO 0.04 0.51 -0.51 1.03 0.00 0.00 0.00 179.25 180.32 1aq0 h SER 71 N 0.40 0.95 -0.39 0.00 0.87 -0.73 -1.08 113.55 113.57 1aq0 h SER 71 Ca 0.07 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1aq0 h SER 71 Cb 0.58 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1aq0 h SER 71 CO 0.04 1.29 0.22 -0.25 -0.53 0.00 0.00 176.83 177.61 1aq0 h TRP 72 N 0.63 0.53 -0.68 2.24 7.01 -0.40 -0.64 115.95 124.65 1aq0 h TRP 72 Ca 0.02 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1aq0 h TRP 72 Cb 1.11 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.97 1aq0 h TRP 72 CO 0.07 0.40 0.23 0.28 -2.79 0.00 0.00 178.44 176.64 1aq0 h VAL 73 N 0.51 1.25 -0.47 2.65 2.07 -1.15 -0.16 116.25 120.95 1aq0 h VAL 73 Ca 0.14 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1aq0 h VAL 73 Cb 0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1aq0 h VAL 73 CO -0.02 0.33 0.11 0.50 0.02 0.00 0.00 177.57 178.50 1aq0 h LYS 74 N 0.98 0.75 0.00 1.57 3.64 -0.75 0.87 116.57 123.63 1aq0 h LYS 74 Ca 0.22 -0.18 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 1aq0 h LYS 74 Cb 0.27 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1aq0 h LYS 74 CO -0.01 0.74 -0.94 0.77 -2.27 0.00 0.00 179.45 177.74 1aq0 h SER 75 N 0.63 0.00 0.00 4.20 0.02 -1.04 -2.70 113.55 114.66 1aq0 h SER 75 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1aq0 h SER 75 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1aq0 h SER 75 CO 0.00 0.94 -0.93 0.59 -1.14 0.00 0.00 176.83 176.29 1aq0 n ASN 76 N -3.39 1.47 0.02 3.07 3.02 -0.08 -4.50 115.26 114.87 1aq0 n ASN 76 Ca -0.00 -0.40 -0.02 0.00 -0.03 0.00 0.00 54.58 54.14 1aq0 n ASN 76 Cb 0.90 1.22 -0.01 0.00 -0.61 0.00 0.00 39.78 41.28 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 -1.52 1.24 0.27 2.41 2.08 0.17 -4.74 119.36 119.26 1aq0 n ILE 77 Ca 0.00 0.35 0.11 0.00 0.56 0.00 0.00 62.75 63.77 1aq0 n ILE 77 Cb 0.21 -1.70 0.75 0.00 -0.75 0.00 0.00 39.64 38.14 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 -0.17 0.00 0.00 0.38 4.20 -1.27 -1.55 115.11 116.69 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 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1aq0 h GLN 78 CO 0.00 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 1aq0 n ALA 79 N -2.43 1.67 -3.46 3.87 0.00 -1.02 -3.91 120.51 115.23 1aq0 n ALA 79 Ca -0.03 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1aq0 n ALA 79 Cb 0.12 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 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 1.78 0.31 0.00 4.01 -0.58 -4.95 117.16 116.25 1aq0 n TYR 80 Ca 0.04 -3.90 0.21 0.00 -0.16 0.00 0.00 57.90 54.08 1aq0 n TYR 80 Cb 0.16 -0.39 1.00 0.00 -0.31 0.00 0.00 39.34 39.80 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 4.61 0.00 -0.01 -0.72 0.13 -1.76 -2.49 132.00 131.76 1aq0 h PRO 81 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1aq0 h PRO 81 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1aq0 h PRO 81 CO 0.64 0.00 -0.17 1.63 -0.23 0.00 0.00 178.00 179.87 1aq0 n LYS 82 N -3.09 0.89 -3.17 0.86 5.02 -1.26 -4.88 118.16 112.53 1aq0 n LYS 82 Ca -0.01 -0.45 -0.39 0.00 -2.02 0.00 0.00 58.31 55.44 1aq0 n LYS 82 Cb 0.17 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.42 4.95 -1.29 -0.18 1.01 -0.94 -0.10 120.40 121.43 1aq0 s VAL 83 Ca 0.28 1.28 -0.14 0.00 0.00 0.00 0.00 61.98 63.39 1aq0 s VAL 83 Cb 0.20 -3.95 0.12 0.00 0.00 0.00 0.00 36.38 32.75 1aq0 s VAL 83 CO 0.48 0.38 1.72 -1.20 0.00 0.00 0.00 175.10 176.47 1aq0 n SER 84 N 3.01 4.93 -4.75 3.32 7.64 -1.26 -4.98 113.62 121.53 1aq0 n SER 84 Ca -0.06 -2.96 -0.41 0.00 1.01 0.00 0.00 58.87 56.45 1aq0 n SER 84 Cb 0.51 -1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 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 2.44 3.22 -0.07 1.43 0.08 -1.26 -0.90 117.98 122.92 1aq0 s PHE 85 Ca 0.46 1.30 -0.07 0.00 0.12 0.00 0.00 56.93 58.75 1aq0 s PHE 85 Cb 0.04 -3.61 -0.04 0.00 -0.57 0.00 0.00 43.02 38.84 1aq0 s PHE 85 CO 0.02 -1.81 -0.15 -2.13 -0.10 0.00 0.00 175.22 171.05 1aq0 n ARG 86 N 2.04 0.23 -4.12 0.44 0.63 0.34 -4.83 116.66 111.40 1aq0 n ARG 86 Ca 0.04 0.10 -0.11 0.00 -0.92 0.00 0.00 57.85 56.96 1aq0 n ARG 86 Cb 0.43 -0.90 -0.11 0.00 0.45 0.00 0.00 32.46 32.33 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 -2.29 0.78 -0.28 -0.14 2.02 -1.22 -2.78 117.35 113.44 1aq0 s TYR 87 Ca -0.14 -0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 55.77 1aq0 s TYR 87 Cb 0.04 -0.46 0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1aq0 s TYR 87 CO 0.19 -0.14 -0.02 0.08 -1.57 0.00 0.00 175.55 174.10 1aq0 s VAL 88 N -2.79 3.05 -0.48 0.71 1.01 -0.12 -1.66 120.40 120.12 1aq0 s VAL 88 Ca 0.03 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 1aq0 s VAL 88 Cb -0.00 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1aq0 s VAL 88 CO -0.03 0.03 0.56 0.00 0.00 0.00 0.00 175.10 175.66 1aq0 s VAL 90 N 2.39 4.22 0.00 0.00 1.01 0.28 -0.76 120.40 127.54 1aq0 s VAL 90 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1aq0 s VAL 90 Cb -0.19 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1aq0 s VAL 90 CO 0.12 -1.37 0.00 0.61 0.00 0.00 0.00 175.10 174.45 1aq0 n GLY 91 N 5.23 -1.53 2.68 4.51 0.00 -0.50 -4.48 105.19 111.10 1aq0 n GLY 91 Ca 0.01 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.54 2.18 -1.42 1.61 2.47 -1.26 -3.11 114.94 112.87 1aq0 s ASN 92 Ca 0.00 -0.47 -0.07 0.00 0.42 0.00 0.00 52.86 52.74 1aq0 s ASN 92 Cb 0.00 -0.36 0.04 0.00 -1.45 0.00 0.00 41.25 39.48 1aq0 s ASN 92 CO 0.00 -0.29 0.84 -0.62 -3.72 0.00 0.00 177.10 173.30 1aq0 n GLU 93 N 5.19 -5.22 -1.79 0.43 1.02 0.36 -4.89 120.64 115.75 1aq0 n GLU 93 Ca -0.07 0.61 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 1aq0 n GLU 93 Cb 0.49 -5.32 -0.02 0.00 -0.02 0.00 0.00 31.44 26.57 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 -3.50 2.12 0.19 2.62 1.01 -1.26 -4.97 120.40 116.61 1aq0 s VAL 94 Ca 0.33 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1aq0 s VAL 94 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1aq0 s VAL 94 CO 0.82 0.01 0.06 0.00 0.00 0.00 0.00 175.10 175.99 1aq0 s ALA 95 N 0.21 1.31 0.00 5.51 0.00 -1.26 -4.82 121.76 122.72 1aq0 s ALA 95 Ca 0.65 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1aq0 s ALA 95 Cb -0.47 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1aq0 s ALA 95 CO 0.45 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1aq0 n GLY 96 N -0.27 0.97 0.29 0.00 0.00 -1.26 -3.24 105.19 101.67 1aq0 n GLY 96 Ca -0.03 -0.74 0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.05 -2.84 103.07 100.16 1aq0 h GLY 97 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1aq0 h GLY 97 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 1aq0 h ALA 98 N 1.98 1.27 0.00 3.60 0.00 -1.96 -2.50 119.26 121.65 1aq0 h ALA 98 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aq0 h ALA 98 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1aq0 h ALA 98 CO 0.00 0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.09 1aq0 h THR 99 N 0.00 0.00 0.00 0.00 1.35 -1.65 -1.51 112.91 111.10 1aq0 h THR 99 Ca -0.00 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 1aq0 h THR 99 Cb 0.15 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1aq0 h THR 99 CO 0.01 0.00 -0.15 0.03 -0.25 0.00 0.00 175.52 175.15 1aq0 h ARG 100 N 0.00 0.00 -0.00 4.72 3.08 -1.69 -2.87 114.38 117.62 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1aq0 h ARG 100 CO 0.00 0.15 -0.39 0.09 -1.07 0.00 0.00 179.97 178.75 1aq0 n ASN 101 N -3.33 0.56 0.18 7.04 3.02 -0.57 -4.51 115.26 117.65 1aq0 n ASN 101 Ca 0.00 -0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 54.12 1aq0 n ASN 101 Cb 0.38 0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 1aq0 n ASN 101 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1aq0 h LEU 102 N 0.26 -0.72 -0.44 3.41 5.85 -1.59 -1.09 115.31 120.99 1aq0 h LEU 102 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1aq0 h LEU 102 Cb 0.49 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1aq0 h LEU 102 CO 0.00 -0.37 0.28 0.58 -0.34 0.00 0.00 178.44 178.59 1aq0 h VAL 103 N -0.57 1.12 -0.62 1.05 2.07 -1.79 -1.13 116.25 116.38 1aq0 h VAL 103 Ca -0.04 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1aq0 h VAL 103 Cb 0.48 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1aq0 h VAL 103 CO -0.01 0.12 0.34 -0.65 0.02 0.00 0.00 177.57 177.39 1aq0 h PRO 104 N 0.59 0.62 -0.56 1.57 0.11 -1.79 0.46 132.00 133.00 1aq0 h PRO 104 Ca 0.16 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 1aq0 h PRO 104 Cb -0.05 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 1aq0 h PRO 104 CO -0.03 0.41 0.21 0.00 -0.21 0.00 0.00 178.00 178.37 1aq0 h ALA 105 N 1.33 0.73 -0.60 -0.75 0.00 -0.91 -1.26 119.26 117.78 1aq0 h ALA 105 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1aq0 h ALA 105 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1aq0 h ALA 105 CO -0.17 0.36 0.15 0.52 0.00 0.00 0.00 179.25 180.11 1aq0 h MET 106 N 0.77 0.96 -0.29 0.00 2.86 -0.65 -1.18 114.93 117.41 1aq0 h MET 106 Ca 0.18 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1aq0 h MET 106 Cb 0.23 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1aq0 h MET 106 CO -0.01 0.88 0.17 0.87 1.06 0.00 0.00 176.91 179.88 1aq0 h LYS 107 N 0.88 0.39 -0.67 1.72 1.57 -0.69 0.70 116.57 120.46 1aq0 h LYS 107 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1aq0 h LYS 107 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1aq0 h LYS 107 CO 0.00 0.30 0.21 -0.91 -0.57 0.00 0.00 179.45 178.49 1aq0 h ASN 108 N 0.36 0.97 -0.44 0.86 2.35 -1.06 0.63 115.58 119.25 1aq0 h ASN 108 Ca 0.10 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 1aq0 h ASN 108 Cb 0.01 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1aq0 h ASN 108 CO -0.02 0.91 -0.12 0.58 -1.65 0.00 0.00 177.43 177.14 1aq0 h VAL 109 N 0.97 1.27 -0.18 2.81 2.07 -1.04 -2.03 116.25 120.12 1aq0 h VAL 109 Ca 0.22 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1aq0 h VAL 109 Cb 0.29 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1aq0 h VAL 109 CO -0.01 0.42 0.10 -0.74 0.02 0.00 0.00 177.57 177.36 1aq0 h HIS 110 N 0.68 0.19 -0.92 1.57 -0.00 -0.57 -0.98 115.15 115.11 1aq0 h HIS 110 Ca 0.11 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1aq0 h HIS 110 Cb 0.66 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.96 1aq0 h HIS 110 CO 0.05 0.11 0.60 0.78 -0.00 0.00 0.00 177.93 179.47 1aq0 h GLY 111 N 0.21 1.35 1.08 5.26 0.00 -0.75 -1.86 103.07 108.35 1aq0 h GLY 111 Ca 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1aq0 h GLY 111 CO -0.04 0.38 0.05 0.00 0.00 0.00 0.00 176.54 176.93 1aq0 h ALA 112 N 1.38 0.85 -0.43 3.60 0.00 -0.94 -2.42 119.26 121.31 1aq0 h ALA 112 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1aq0 h ALA 112 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1aq0 h ALA 112 CO -0.13 0.66 0.19 -0.07 0.00 0.00 0.00 179.25 179.91 1aq0 h LEU 113 N 1.00 0.58 0.25 0.00 3.38 -0.58 -2.65 115.31 117.30 1aq0 h LEU 113 Ca 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1aq0 h LEU 113 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1aq0 h LEU 113 CO 0.02 0.57 -0.13 0.58 0.09 0.00 0.00 178.44 179.57 1aq0 h VAL 114 N 0.56 0.73 -0.34 1.22 2.07 -1.25 -0.09 116.25 119.14 1aq0 h VAL 114 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.77 1aq0 h VAL 114 Cb 0.15 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1aq0 h VAL 114 CO -0.02 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.85 1aq0 h ALA 115 N 0.39 2.22 -0.01 1.67 0.00 -1.39 0.38 119.26 122.53 1aq0 h ALA 115 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aq0 h ALA 115 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1aq0 h ALA 115 CO 0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 179.25 178.69 1aq0 n ALA 116 N -2.53 2.86 -1.04 0.00 0.00 -1.00 -4.91 120.51 113.88 1aq0 n ALA 116 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1aq0 n ALA 116 Cb 0.45 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.29 0.56 0.80 0.00 0.00 0.12 -4.96 105.19 103.01 1aq0 n GLY 117 Ca 0.14 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 3.17 0.00 0.99 4.77 -0.08 -4.80 117.00 121.06 1aq0 n LEU 118 Ca 0.00 -3.91 0.00 0.00 -0.03 0.00 0.00 56.01 52.08 1aq0 n LEU 118 Cb 0.12 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1aq0 n LEU 118 CO 0.00 1.40 0.47 0.61 -1.33 0.00 0.00 177.39 178.54 1aq0 n GLY 119 N -1.11 -0.45 0.18 -0.72 0.00 -1.20 -1.63 105.19 100.25 1aq0 n GLY 119 Ca 0.24 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.53 1.61 2.07 -1.91 -3.43 115.15 109.96 1aq0 h HIS 120 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 1aq0 h HIS 120 Cb 0.01 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 29.89 1aq0 h HIS 120 CO 0.00 0.00 0.56 0.42 -3.07 0.00 0.00 177.93 175.84 1aq0 s ILE 121 N -3.21 4.59 0.31 6.12 1.01 -0.65 -4.99 121.20 124.39 1aq0 s ILE 121 Ca 0.08 1.06 -0.27 0.00 0.00 0.00 0.00 60.65 61.52 1aq0 s ILE 121 Cb 0.08 -4.33 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 1aq0 s ILE 121 CO 0.62 -0.57 0.94 -0.54 0.00 0.00 0.00 174.94 175.40 1aq0 s LYS 122 N 3.45 4.62 -0.19 2.79 -0.14 -1.12 -4.84 119.74 124.31 1aq0 s LYS 122 Ca 0.37 1.35 -0.08 0.00 -1.36 0.00 0.00 55.97 56.24 1aq0 s LYS 122 Cb -0.12 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1aq0 s LYS 122 CO 0.20 0.31 0.09 0.08 -0.76 0.00 0.00 175.35 175.26 1aq0 s VAL 123 N -1.56 5.00 0.00 3.17 1.01 -1.26 -0.94 120.40 125.82 1aq0 s VAL 123 Ca 0.49 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1aq0 s VAL 123 Cb -0.19 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1aq0 s VAL 123 CO 0.25 0.45 0.00 1.07 0.00 0.00 0.00 175.10 176.87 1aq0 n THR 124 N 3.55 0.00 -3.91 3.92 5.66 -0.53 -4.82 114.28 118.15 1aq0 n THR 124 Ca -0.16 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 1aq0 n THR 124 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.23 0.15 -0.17 1.09 -1.32 -1.26 -0.56 115.64 111.34 1aq0 s THR 125 Ca 0.00 -1.22 -0.02 0.00 -1.21 0.00 0.00 61.69 59.24 1aq0 s THR 125 Cb 0.00 -1.18 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1aq0 s THR 125 CO 0.00 -0.67 -0.07 -0.55 -2.21 0.00 0.00 174.62 171.12 1aq0 s SER 126 N -2.54 4.35 0.19 8.08 0.15 -1.18 -2.13 113.70 120.61 1aq0 s SER 126 Ca 0.01 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.47 1aq0 s SER 126 Cb 0.03 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1aq0 s SER 126 CO -0.08 0.10 -0.16 0.68 1.20 0.00 0.00 173.24 174.98 1aq0 s VAL 127 N 0.74 2.82 0.43 4.45 -7.23 -0.14 -0.49 120.40 120.99 1aq0 s VAL 127 Ca -0.03 -1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 1aq0 s VAL 127 Cb -0.15 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 1aq0 s VAL 127 CO 0.02 -0.11 0.85 -0.55 -0.31 0.00 0.00 175.10 175.00 1aq0 s SER 128 N -2.76 6.64 0.37 4.85 0.15 -1.26 -0.92 113.70 120.76 1aq0 s SER 128 Ca 0.23 1.36 0.27 0.00 0.70 0.00 0.00 55.95 58.51 1aq0 s SER 128 Cb -0.08 -2.41 1.27 0.00 -1.71 0.00 0.00 66.02 63.08 1aq0 s SER 128 CO 0.13 -0.43 1.81 0.06 1.20 0.00 0.00 173.24 176.01 1aq0 h GLN 129 N 1.38 0.00 0.00 5.44 3.07 -1.90 -2.58 115.11 120.52 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 n ALA 130 N -1.86 1.36 1.40 0.06 0.00 -1.26 -2.01 120.51 118.21 1aq0 n ALA 130 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1aq0 n ALA 130 Cb 0.15 -1.35 0.74 0.00 0.00 0.00 0.00 19.45 19.00 1aq0 n ALA 130 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1aq0 n ILE 131 N -2.25 0.03 -2.86 0.00 -5.35 -0.97 -4.72 119.36 103.24 1aq0 n ILE 131 Ca 0.00 0.01 -0.42 0.00 -0.27 0.00 0.00 62.75 62.07 1aq0 n ILE 131 Cb 0.14 -0.52 -0.04 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.56 4.13 0.10 7.28 1.43 -0.85 -0.86 118.68 127.34 1aq0 s LEU 132 Ca 0.28 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1aq0 s LEU 132 Cb 0.20 -3.25 -0.21 0.00 0.03 0.00 0.00 46.19 42.96 1aq0 s LEU 132 CO 0.45 -0.48 1.22 1.23 0.23 0.00 0.00 176.35 178.99 1aq0 h GLY 133 N 8.82 0.28 -6.21 -3.19 0.00 0.82 -3.44 103.07 100.15 1aq0 h GLY 133 Ca -0.25 -0.64 -0.37 0.00 0.00 0.00 0.00 47.33 46.06 1aq0 h GLY 133 CO 0.87 0.56 -0.76 0.14 0.00 0.00 0.00 176.54 177.35 1aq0 s VAL 134 N -2.83 0.38 0.00 4.60 1.01 -1.00 -4.96 120.40 117.59 1aq0 s VAL 134 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1aq0 s VAL 134 Cb 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1aq0 s VAL 134 CO 0.87 0.18 0.00 2.22 0.00 0.00 0.00 175.10 178.37 1aq0 n PHE 135 N 3.98 0.00 -3.98 5.22 1.16 -1.26 -2.35 117.46 120.23 1aq0 n PHE 135 Ca -0.25 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.13 1aq0 n PHE 135 Cb 0.51 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.22 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 -1.56 0.89 0.61 5.98 0.15 -1.26 -3.25 113.70 115.26 1aq0 s SER 136 Ca 0.00 -0.08 -0.14 0.00 0.70 0.00 0.00 55.95 56.43 1aq0 s SER 136 Cb 0.00 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1aq0 s SER 136 CO 0.00 -0.11 1.04 -2.16 1.20 0.00 0.00 173.24 173.21 1aq0 s PRO 137 N 1.21 3.38 0.49 5.44 0.04 -1.26 -4.93 135.00 139.38 1aq0 s PRO 137 Ca -0.07 1.04 0.27 0.00 0.04 0.00 0.00 61.00 62.28 1aq0 s PRO 137 Cb -0.14 -2.05 1.35 0.00 0.04 0.00 0.00 34.50 33.70 1aq0 s PRO 137 CO -0.02 -0.75 1.87 -1.35 0.04 0.00 0.00 177.00 176.80 1aq0 h PRO 138 N 0.17 0.14 0.00 0.56 0.11 -1.82 0.14 132.00 131.30 1aq0 h PRO 138 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aq0 h PRO 138 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aq0 h PRO 138 CO 0.59 0.09 0.00 0.66 -0.21 0.00 0.00 178.00 179.13 1aq0 h SER 139 N 0.14 0.00 -0.46 -2.05 4.64 -1.89 -2.14 113.55 111.79 1aq0 h SER 139 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1aq0 h SER 139 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1aq0 h SER 139 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 1aq0 n ALA 140 N -1.99 2.40 -1.66 5.18 0.00 0.49 -5.01 120.51 119.92 1aq0 n ALA 140 Ca 0.00 -1.07 -0.45 0.00 0.00 0.00 0.00 53.44 51.93 1aq0 n ALA 140 Cb 0.24 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 1.47 0.57 3.49 0.00 0.00 -0.80 -4.71 105.19 105.21 1aq0 n GLY 141 Ca 0.20 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 1aq0 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aq0 s SER 142 N 0.09 -0.53 0.68 1.61 1.04 -0.99 -3.48 113.70 112.12 1aq0 s SER 142 Ca 0.66 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.28 1aq0 s SER 142 Cb -0.67 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1aq0 s SER 142 CO 0.53 -0.69 1.07 -0.36 0.98 0.00 0.00 173.24 174.77 1aq0 s PHE 143 N -2.36 3.39 0.88 5.02 0.08 -1.26 0.12 117.98 123.85 1aq0 s PHE 143 Ca -0.03 1.19 -0.11 0.00 0.12 0.00 0.00 56.93 58.10 1aq0 s PHE 143 Cb -0.01 -2.91 0.12 0.00 -0.57 0.00 0.00 43.02 39.65 1aq0 s PHE 143 CO -0.02 -1.03 1.09 0.95 -0.10 0.00 0.00 175.22 176.11 1aq0 s THR 144 N -3.24 2.75 0.20 0.64 -4.23 -0.04 -4.13 115.64 107.59 1aq0 s THR 144 Ca 0.57 0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 61.22 1aq0 s THR 144 Cb -0.12 -2.71 0.14 0.00 1.34 0.00 0.00 72.50 71.15 1aq0 s THR 144 CO 0.53 -0.32 1.84 1.23 -0.54 0.00 0.00 174.62 177.36 1aq0 h GLY 145 N -1.50 0.98 0.82 3.99 0.00 -1.97 0.11 103.07 105.50 1aq0 h GLY 145 Ca -0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1aq0 h GLY 145 CO 0.54 0.25 0.02 -2.09 0.00 0.00 0.00 176.54 175.26 1aq0 h GLU 146 N 0.80 0.13 -0.70 4.80 4.81 -1.97 -3.09 114.58 119.36 1aq0 h GLU 146 Ca 0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1aq0 h GLU 146 Cb 0.05 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1aq0 h GLU 146 CO -0.12 0.30 0.37 0.00 -0.73 0.00 0.00 179.01 178.83 1aq0 h ALA 147 N 0.82 0.89 -0.90 2.92 0.00 -1.80 -2.80 119.26 118.40 1aq0 h ALA 147 Ca 0.03 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1aq0 h ALA 147 Cb 0.23 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1aq0 h ALA 147 CO -0.00 0.43 0.58 0.00 0.00 0.00 0.00 179.25 180.26 1aq0 h ALA 148 N 1.18 1.99 -0.71 0.00 0.00 -0.72 0.15 119.26 121.14 1aq0 h ALA 148 Ca 0.24 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1aq0 h ALA 148 Cb 0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1aq0 h ALA 148 CO -0.04 -0.26 0.37 0.00 0.00 0.00 0.00 179.25 179.32 1aq0 h ALA 149 N 1.61 0.97 0.00 0.00 0.00 -1.44 -2.23 119.26 118.18 1aq0 h ALA 149 Ca 0.47 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 1aq0 h ALA 149 Cb 0.93 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1aq0 h ALA 149 CO -0.21 -0.01 -2.08 1.97 0.00 0.00 0.00 179.25 178.92 1aq0 n PHE 150 N -4.83 0.09 0.18 0.00 -1.74 -0.76 -4.40 117.46 105.99 1aq0 n PHE 150 Ca 0.11 0.03 0.02 0.00 -0.56 0.00 0.00 57.45 57.05 1aq0 n PHE 150 Cb 0.25 -0.73 0.33 0.00 1.52 0.00 0.00 39.48 40.85 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 -0.63 -2.70 114.93 118.94 1aq0 h MET 151 Ca -0.21 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1aq0 h MET 151 Cb 1.50 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.14 1aq0 h MET 151 CO 0.01 0.41 -0.48 0.78 1.06 0.00 0.00 176.91 178.69 1aq0 h GLY 152 N 1.26 -1.25 1.30 8.32 0.00 -1.61 0.18 103.07 111.27 1aq0 h GLY 152 Ca -0.00 0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.91 1aq0 h GLY 152 CO 0.05 -0.37 0.46 -2.55 0.00 0.00 0.00 176.54 174.13 1aq0 h PRO 153 N -0.97 0.90 0.32 4.80 0.11 -1.81 -1.50 132.00 133.85 1aq0 h PRO 153 Ca -0.06 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1aq0 h PRO 153 Cb 0.84 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1aq0 h PRO 153 CO -0.05 0.60 -0.15 0.28 -0.21 0.00 0.00 178.00 178.47 1aq0 h VAL 154 N 0.93 0.71 -1.01 3.15 2.07 -1.23 -0.78 116.25 120.09 1aq0 h VAL 154 Ca 0.26 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1aq0 h VAL 154 Cb -0.09 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1aq0 h VAL 154 CO -0.06 0.06 0.66 0.58 0.02 0.00 0.00 177.57 178.84 1aq0 h VAL 155 N -0.59 1.21 -0.51 2.57 2.07 -0.83 -1.03 116.25 119.14 1aq0 h VAL 155 Ca -0.04 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1aq0 h VAL 155 Cb 0.43 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1aq0 h VAL 155 CO 0.07 0.24 0.01 1.56 0.02 0.00 0.00 177.57 179.47 1aq0 h GLN 156 N 1.31 0.84 -0.40 1.57 4.20 -1.18 0.47 115.11 121.93 1aq0 h GLN 156 Ca 0.39 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1aq0 h GLN 156 Cb -0.07 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1aq0 h GLN 156 CO -0.11 0.84 -0.03 0.35 -0.67 0.00 0.00 178.83 179.21 1aq0 h PHE 157 N 0.79 0.80 -0.66 2.96 3.57 -0.39 -2.24 116.94 121.77 1aq0 h PHE 157 Ca 0.15 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1aq0 h PHE 157 Cb 0.46 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1aq0 h PHE 157 CO 0.03 0.82 0.17 -0.07 -2.23 0.00 0.00 178.31 177.03 1aq0 h LEU 158 N 0.55 1.00 -0.40 0.59 3.38 -0.85 -1.96 115.31 117.63 1aq0 h LEU 158 Ca 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1aq0 h LEU 158 Cb 0.52 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1aq0 h LEU 158 CO 0.03 0.97 0.23 0.00 0.09 0.00 0.00 178.44 179.75 1aq0 h ALA 159 N 1.07 0.51 0.00 1.53 0.00 -0.79 -0.61 119.26 120.97 1aq0 h ALA 159 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1aq0 h ALA 159 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1aq0 h ALA 159 CO 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 179.25 178.95 1aq0 h ARG 160 N 0.52 0.00 -0.18 0.00 3.08 -1.18 -2.99 114.38 113.62 1aq0 h ARG 160 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1aq0 h ARG 160 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1aq0 h ARG 160 CO -0.02 0.32 0.00 0.25 -1.07 0.00 0.00 179.97 179.45 1aq0 n THR 161 N -4.09 0.21 -3.59 2.04 -2.24 -0.76 -4.97 114.28 100.89 1aq0 n THR 161 Ca -0.02 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1aq0 n THR 161 Cb 0.37 1.27 0.08 0.00 -2.10 0.00 0.00 70.33 69.95 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 1.40 -5.49 -4.56 3.42 4.05 -0.32 -5.00 115.26 108.76 1aq0 n ASN 162 Ca 0.16 -0.57 -0.30 0.00 0.45 0.00 0.00 54.58 54.32 1aq0 n ASN 162 Cb 0.60 -4.97 -0.10 0.00 1.23 0.00 0.00 39.78 36.54 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 -3.33 2.91 0.69 5.20 0.00 -0.66 -5.05 121.76 121.52 1aq0 s ALA 163 Ca 0.49 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 1aq0 s ALA 163 Cb -0.22 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.05 1aq0 s ALA 163 CO 0.74 0.63 1.01 -1.25 0.00 0.00 0.00 175.76 176.88 1aq0 s PRO 164 N -1.98 2.33 -0.11 0.00 0.04 -1.26 -4.55 135.00 129.47 1aq0 s PRO 164 Ca 0.20 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.04 1aq0 s PRO 164 Cb -0.11 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1aq0 s PRO 164 CO 0.12 -1.16 0.06 -1.17 0.04 0.00 0.00 177.00 174.88 1aq0 s LEU 165 N -5.23 3.91 -0.14 -3.56 2.96 -0.40 -4.66 118.68 111.56 1aq0 s LEU 165 Ca 0.59 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.69 1aq0 s LEU 165 Cb -0.11 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1aq0 s LEU 165 CO 0.45 0.37 0.09 -0.04 -1.32 0.00 0.00 176.35 175.90 1aq0 s MET 166 N -0.81 3.63 -0.02 1.98 -1.94 -0.90 -0.96 119.30 120.27 1aq0 s MET 166 Ca 0.13 -0.25 0.03 0.00 -1.71 0.00 0.00 55.69 53.88 1aq0 s MET 166 Cb -0.12 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.56 1aq0 s MET 166 CO 0.03 0.55 -0.10 0.00 -0.01 0.00 0.00 175.02 175.48 1aq0 s ALA 167 N -0.39 0.92 -0.43 3.03 0.00 -0.09 -0.96 121.76 123.85 1aq0 s ALA 167 Ca 0.10 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 1aq0 s ALA 167 Cb -0.12 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1aq0 s ALA 167 CO 0.02 0.17 0.53 -0.80 0.00 0.00 0.00 175.76 175.67 1aq0 s ASN 168 N 0.10 6.26 -0.21 0.00 0.01 -0.10 -1.00 114.94 120.00 1aq0 s ASN 168 Ca -0.02 -0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 51.61 1aq0 s ASN 168 Cb -0.08 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.32 1aq0 s ASN 168 CO 0.00 -0.67 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.19 1aq0 s ILE 169 N 2.45 2.76 -0.44 0.60 1.01 -0.45 -2.56 121.20 124.58 1aq0 s ILE 169 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1aq0 s ILE 169 Cb -0.16 -2.27 0.13 0.00 0.01 0.00 0.00 42.46 40.18 1aq0 s ILE 169 CO 0.16 0.41 0.22 -0.31 0.00 0.00 0.00 174.94 175.42 1aq0 s TYR 170 N 1.37 2.22 0.45 3.97 2.02 -1.26 -4.14 117.35 121.98 1aq0 s TYR 170 Ca 0.04 -2.51 0.20 0.00 -0.37 0.00 0.00 57.07 54.43 1aq0 s TYR 170 Cb -0.14 -2.06 1.18 0.00 -0.40 0.00 0.00 41.96 40.53 1aq0 s TYR 170 CO -0.07 -0.79 1.89 -1.35 -1.57 0.00 0.00 175.55 173.66 1aq0 h PRO 171 N 6.84 0.29 -0.20 -1.71 0.11 -1.87 -1.15 132.00 134.30 1aq0 h PRO 171 Ca -0.03 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1aq0 h PRO 171 Cb 0.93 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1aq0 h PRO 171 CO 0.52 0.19 0.05 -0.92 -0.21 0.00 0.00 178.00 177.63 1aq0 h TYR 172 N 0.30 0.09 -0.39 0.65 3.20 -1.85 -1.09 116.97 117.88 1aq0 h TYR 172 Ca 0.42 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.21 1aq0 h TYR 172 Cb 1.17 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1aq0 h TYR 172 CO -0.00 0.04 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.39 1aq0 h LEU 173 N 0.14 0.67 -0.54 2.82 3.38 -1.59 0.20 115.31 120.39 1aq0 h LEU 173 Ca 0.09 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1aq0 h LEU 173 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1aq0 h LEU 173 CO -0.10 0.80 -0.07 0.00 0.09 0.00 0.00 178.44 179.16 1aq0 h ALA 174 N 1.26 0.74 -0.00 1.53 0.00 -1.16 -2.59 119.26 119.04 1aq0 h ALA 174 Ca 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1aq0 h ALA 174 Cb 0.54 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1aq0 h ALA 174 CO 0.03 0.62 -0.01 2.35 0.00 0.00 0.00 179.25 182.25 1aq0 h TRP 175 N 0.88 0.01 -0.20 0.00 7.01 -0.97 -3.21 115.95 119.47 1aq0 h TRP 175 Ca 0.15 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.20 1aq0 h TRP 175 Cb 0.63 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1aq0 h TRP 175 CO 0.04 0.54 0.22 0.00 -2.79 0.00 0.00 178.44 176.46 1aq0 h ALA 176 N 0.47 1.81 -0.78 2.65 0.00 -0.61 -1.24 119.26 121.56 1aq0 h ALA 176 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1aq0 h ALA 176 Cb 0.54 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1aq0 h ALA 176 CO 0.00 -0.32 0.39 -0.92 0.00 0.00 0.00 179.25 178.39 1aq0 h TYR 177 N 0.00 1.10 -1.43 0.00 3.20 -1.46 -3.39 116.97 115.00 1aq0 h TYR 177 Ca 0.09 -0.05 -0.21 0.00 3.14 0.00 0.00 58.73 61.70 1aq0 h TYR 177 Cb 0.54 -0.34 -0.24 0.00 1.54 0.00 0.00 36.73 38.22 1aq0 h TYR 177 CO 0.00 0.80 -0.57 1.21 -1.64 0.00 0.00 178.16 177.96 1aq0 s ASN 178 N -6.17 -0.34 0.58 -2.11 3.84 -0.51 -5.03 114.94 105.19 1aq0 s ASN 178 Ca -0.13 -1.30 0.28 0.00 0.21 0.00 0.00 52.86 51.92 1aq0 s ASN 178 Cb 0.15 1.31 1.70 0.00 -0.55 0.00 0.00 41.25 43.86 1aq0 s ASN 178 CO 0.82 -0.19 2.19 -0.65 -2.79 0.00 0.00 177.10 176.47 1aq0 h PRO 179 N 6.76 0.00 0.00 0.43 0.11 -1.65 -1.68 132.00 135.96 1aq0 h PRO 179 Ca 0.06 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.06 1aq0 h PRO 179 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1aq0 h PRO 179 CO 0.14 0.00 -0.53 0.66 -0.21 0.00 0.00 178.00 178.06 1aq0 h SER 180 N 0.00 0.00 0.43 -2.05 4.64 -1.96 -3.26 113.55 111.35 1aq0 h SER 180 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1aq0 h SER 180 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1aq0 h SER 180 CO -0.00 0.53 -0.12 0.00 -0.87 0.00 0.00 176.83 176.37 1aq0 h ALA 181 N 1.47 1.24 -2.26 5.18 0.00 -1.67 -3.45 119.26 119.77 1aq0 h ALA 181 Ca -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1aq0 h ALA 181 Cb 1.33 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.93 1aq0 h ALA 181 CO 0.07 0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.64 1aq0 s MET 182 N -4.12 1.10 0.24 0.00 0.23 -1.23 -5.14 119.30 110.37 1aq0 s MET 182 Ca -0.02 0.06 -0.30 0.00 -1.03 0.00 0.00 55.69 54.40 1aq0 s MET 182 Cb 0.13 0.51 -0.09 0.00 -1.53 0.00 0.00 34.83 33.85 1aq0 s MET 182 CO 0.58 -0.38 1.32 -0.51 -2.03 0.00 0.00 175.02 174.01 1aq0 s ASP 183 N -1.58 6.84 0.41 -1.18 1.01 -1.26 -4.80 116.67 116.10 1aq0 s ASP 183 Ca -0.08 2.51 0.11 0.00 0.71 0.00 0.00 52.55 55.80 1aq0 s ASP 183 Cb -0.00 -2.62 0.88 0.00 1.01 0.00 0.00 42.92 42.18 1aq0 s ASP 183 CO 0.04 -0.54 1.95 -0.03 0.21 0.00 0.00 175.17 176.80 1aq0 h MET 184 N 4.81 0.15 -0.45 8.23 4.05 -1.99 -2.28 114.93 127.46 1aq0 h MET 184 Ca -0.46 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1aq0 h MET 184 Cb 1.22 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 1aq0 h MET 184 CO 0.74 0.29 0.28 0.78 0.23 0.00 0.00 176.91 179.24 1aq0 h GLY 185 N 0.65 0.63 1.27 1.39 0.00 -1.91 -0.20 103.07 104.90 1aq0 h GLY 185 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1aq0 h GLY 185 CO 0.02 0.24 0.26 -1.82 0.00 0.00 0.00 176.54 175.23 1aq0 h TYR 186 N 0.61 0.94 0.00 5.60 3.20 -1.70 0.96 116.97 126.57 1aq0 h TYR 186 Ca 0.16 -0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.76 1aq0 h TYR 186 Cb -0.05 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.90 1aq0 h TYR 186 CO 0.00 0.72 -1.09 0.00 -1.64 0.00 0.00 178.16 176.14 1aq0 h ALA 187 N 1.37 0.42 -0.00 1.82 0.00 -1.32 -1.33 119.26 120.22 1aq0 h ALA 187 Ca 0.22 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1aq0 h ALA 187 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1aq0 h ALA 187 CO -0.02 1.29 -0.16 -0.11 0.00 0.00 0.00 179.25 180.25 1aq0 n LEU 188 N -3.30 0.57 0.00 0.00 7.94 -0.19 -4.71 117.00 117.31 1aq0 n LEU 188 Ca -0.02 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1aq0 n LEU 188 Cb 0.95 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.71 1aq0 n LEU 188 CO 0.47 0.11 0.00 0.49 -1.11 0.00 0.00 177.39 177.34 1aq0 n PHE 189 N -0.95 0.00 -1.20 1.96 3.72 -0.91 -4.34 117.46 115.74 1aq0 n PHE 189 Ca 0.13 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.61 1aq0 n PHE 189 Cb 0.30 -0.74 0.18 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.94 2.42 -4.78 4.37 5.15 0.28 -5.02 115.26 119.63 1aq0 n ASN 190 Ca 0.00 -3.31 -0.38 0.00 -0.60 0.00 0.00 54.58 50.29 1aq0 n ASN 190 Cb 0.26 -0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.96 1aq0 n ASN 190 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aq0 s ALA 191 N -2.98 3.34 -0.02 5.20 0.00 -1.09 -4.81 121.76 121.40 1aq0 s ALA 191 Ca 0.36 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 1aq0 s ALA 191 Cb 0.32 -3.06 -0.18 0.00 0.00 0.00 0.00 23.12 20.20 1aq0 s ALA 191 CO 0.01 0.24 1.18 0.77 0.00 0.00 0.00 175.76 177.97 1aq0 h SER 192 N 3.72 -0.15 -0.21 0.00 0.02 -1.94 -3.49 113.55 111.51 1aq0 h SER 192 Ca -0.47 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1aq0 h SER 192 Cb 1.20 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1aq0 h SER 192 CO 0.66 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1aq0 n GLY 193 N 0.12 5.79 3.67 -3.77 0.00 -1.26 -5.10 105.19 104.64 1aq0 n GLY 193 Ca -0.09 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 0.51 2.97 -0.24 2.61 2.01 -1.26 -4.52 115.64 117.72 1aq0 s THR 194 Ca 0.00 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 1aq0 s THR 194 Cb 0.00 -3.14 -0.18 0.00 0.01 0.00 0.00 72.50 69.19 1aq0 s THR 194 CO 0.00 -0.01 -0.15 0.52 -0.69 0.00 0.00 174.62 174.29 1aq0 n VAL 195 N 5.16 1.54 -4.13 3.82 0.31 0.45 -4.90 118.33 120.58 1aq0 n VAL 195 Ca 0.18 -0.53 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 1aq0 n VAL 195 Cb 0.40 -1.57 -0.16 0.00 -0.91 0.00 0.00 33.84 31.61 1aq0 n VAL 195 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1aq0 s VAL 196 N -2.52 1.89 -0.30 2.52 1.01 -0.68 -4.99 120.40 117.32 1aq0 s VAL 196 Ca -0.34 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 1aq0 s VAL 196 Cb 0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1aq0 s VAL 196 CO 0.61 0.51 0.21 -0.60 0.00 0.00 0.00 175.10 175.82 1aq0 s ARG 197 N 1.32 3.79 -0.52 2.72 6.06 -1.26 -0.61 118.95 130.45 1aq0 s ARG 197 Ca 0.04 -0.43 0.04 0.00 -2.50 0.00 0.00 55.73 52.88 1aq0 s ARG 197 Cb -0.13 -3.71 0.13 0.00 0.06 0.00 0.00 34.95 31.30 1aq0 s ARG 197 CO -0.11 -0.27 0.26 0.34 -2.50 0.00 0.00 175.30 173.02 1aq0 s ASP 198 N 1.75 4.29 1.45 -2.12 2.15 0.62 -4.98 116.67 119.82 1aq0 s ASP 198 Ca 0.07 -3.02 0.00 0.00 0.43 0.00 0.00 52.55 50.03 1aq0 s ASP 198 Cb -0.16 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1aq0 s ASP 198 CO 0.11 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1aq0 n GLY 199 N 3.10 2.44 0.38 2.66 0.00 -1.26 -1.60 105.19 110.91 1aq0 n GLY 199 Ca 0.05 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 9.67 3.72 -2.47 4.61 0.00 -1.26 -4.96 120.51 129.83 1aq0 n ALA 200 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.45 1aq0 n ALA 200 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.58 3.72 -0.12 0.00 1.51 -0.63 -5.09 117.35 114.17 1aq0 s TYR 201 Ca 0.17 1.02 0.02 0.00 -1.01 0.00 0.00 57.07 57.27 1aq0 s TYR 201 Cb 0.18 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1aq0 s TYR 201 CO 0.62 0.62 -0.18 0.20 -1.11 0.00 0.00 175.55 175.70 1aq0 s GLY 202 N -1.17 1.45 -0.14 0.71 0.00 -1.26 -0.28 107.32 106.63 1aq0 s GLY 202 Ca 0.26 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 1aq0 s GLY 202 CO 0.15 -0.22 -0.13 -0.19 0.00 0.00 0.00 173.10 172.70 1aq0 s TYR 203 N 0.39 2.81 -1.25 1.90 1.51 0.22 -4.84 117.35 118.08 1aq0 s TYR 203 Ca -0.14 -0.78 0.10 0.00 -1.01 0.00 0.00 57.07 55.24 1aq0 s TYR 203 Cb -0.17 -1.87 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 1aq0 s TYR 203 CO 0.06 -0.32 0.88 0.00 -1.11 0.00 0.00 175.55 175.07 1aq0 n GLN 204 N 3.77 0.74 -3.75 -0.62 10.64 -1.26 -0.41 117.38 126.50 1aq0 n GLN 204 Ca -0.18 -1.23 -0.13 0.00 -1.83 0.00 0.00 57.00 53.62 1aq0 n GLN 204 Cb 0.52 -1.21 -0.09 0.00 -0.86 0.00 0.00 30.24 28.61 1aq0 n GLN 204 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1aq0 s ASN 205 N -0.89 -0.23 0.44 2.61 2.20 -1.26 -4.39 114.94 113.42 1aq0 s ASN 205 Ca 0.13 0.19 0.17 0.00 -0.94 0.00 0.00 52.86 52.41 1aq0 s ASN 205 Cb 0.09 0.37 1.00 0.00 -2.00 0.00 0.00 41.25 40.72 1aq0 s ASN 205 CO 0.13 -0.42 1.95 0.25 -2.94 0.00 0.00 177.10 176.08 1aq0 h LEU 206 N 4.03 0.00 0.14 3.54 5.85 -1.52 -3.00 115.31 124.35 1aq0 h LEU 206 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1aq0 h LEU 206 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1aq0 h LEU 206 CO 0.39 0.23 -0.12 0.15 -0.34 0.00 0.00 178.44 178.74 1aq0 h PHE 207 N 0.00 -0.31 -0.68 1.25 3.57 -1.86 -0.76 116.94 118.15 1aq0 h PHE 207 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1aq0 h PHE 207 Cb 0.44 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1aq0 h PHE 207 CO 0.00 -0.19 0.43 -0.44 -2.23 0.00 0.00 178.31 175.88 1aq0 h ASP 208 N -0.28 0.80 -0.34 0.41 3.32 -1.94 -1.43 116.42 116.97 1aq0 h ASP 208 Ca -0.00 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1aq0 h ASP 208 Cb 0.26 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1aq0 h ASP 208 CO -0.02 0.60 0.19 0.74 -1.72 0.00 0.00 179.24 179.03 1aq0 h THR 209 N 0.92 1.03 -0.45 0.35 2.02 -1.38 -1.21 112.91 114.19 1aq0 h THR 209 Ca 0.24 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1aq0 h THR 209 Cb -0.06 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1aq0 h THR 209 CO -0.05 0.07 0.03 0.74 0.37 0.00 0.00 175.52 176.68 1aq0 h THR 210 N 0.39 1.26 -0.25 3.16 2.02 -0.90 -0.32 112.91 118.27 1aq0 h THR 210 Ca 0.13 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1aq0 h THR 210 Cb 0.01 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1aq0 h THR 210 CO -0.07 0.34 0.14 0.58 0.37 0.00 0.00 175.52 176.88 1aq0 h VAL 211 N 0.62 1.11 -0.03 3.16 2.07 -1.14 -1.21 116.25 120.84 1aq0 h VAL 211 Ca 0.13 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1aq0 h VAL 211 Cb 0.45 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1aq0 h VAL 211 CO 0.02 0.11 -0.39 0.44 0.02 0.00 0.00 177.57 177.77 1aq0 h ASP 212 N 0.30 0.07 -0.58 0.57 3.32 -1.11 -1.91 116.42 117.08 1aq0 h ASP 212 Ca 0.09 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1aq0 h ASP 212 Cb 0.05 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1aq0 h ASP 212 CO -0.01 0.45 -0.05 0.00 -1.72 0.00 0.00 179.24 177.91 1aq0 h ALA 213 N 1.55 0.81 -0.51 3.45 0.00 -0.71 -1.67 119.26 122.17 1aq0 h ALA 213 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1aq0 h ALA 213 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1aq0 h ALA 213 CO 0.05 0.67 0.25 0.74 0.00 0.00 0.00 179.25 180.96 1aq0 h PHE 214 N 0.95 0.74 -0.98 0.00 0.04 -0.74 -1.44 116.94 115.51 1aq0 h PHE 214 Ca 0.16 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.90 1aq0 h PHE 214 Cb 0.62 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 1aq0 h PHE 214 CO 0.04 0.59 0.65 1.88 -0.60 0.00 0.00 178.31 180.86 1aq0 h TYR 215 N 0.69 1.24 -0.31 -0.55 0.05 -1.04 -0.76 116.97 116.30 1aq0 h TYR 215 Ca 0.18 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 1aq0 h TYR 215 Cb 0.12 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 1aq0 h TYR 215 CO -0.00 0.79 0.03 1.15 -1.05 0.00 0.00 178.16 179.08 1aq0 h THR 216 N 1.34 1.24 -0.71 -2.88 2.02 -1.01 -1.64 112.91 111.27 1aq0 h THR 216 Ca 0.36 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1aq0 h THR 216 Cb -0.14 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1aq0 h THR 216 CO -0.08 0.28 0.47 0.00 0.37 0.00 0.00 175.52 176.56 1aq0 h ALA 217 N 0.86 0.90 -0.67 6.16 0.00 -0.92 -2.21 119.26 123.39 1aq0 h ALA 217 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1aq0 h ALA 217 Cb 0.38 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1aq0 h ALA 217 CO 0.01 0.31 0.17 0.52 0.00 0.00 0.00 179.25 180.26 1aq0 h MET 218 N 0.95 1.06 -0.51 0.00 2.07 -1.03 -2.87 114.93 114.60 1aq0 h MET 218 Ca 0.26 -0.25 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1aq0 h MET 218 Cb -0.09 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.47 1aq0 h MET 218 CO -0.06 0.95 0.31 0.78 1.07 0.00 0.00 176.91 179.96 1aq0 h GLY 219 N 0.99 0.73 1.70 8.32 0.00 -0.73 0.02 103.07 114.10 1aq0 h GLY 219 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1aq0 h GLY 219 CO 0.00 0.28 0.00 0.28 0.00 0.00 0.00 176.54 177.10 1aq0 n LYS 220 N -4.44 0.17 -0.09 4.80 5.02 -0.88 -2.77 118.16 119.97 1aq0 n LYS 220 Ca 0.04 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.58 1aq0 n LYS 220 Cb 0.07 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.35 0.00 -1.19 2.13 8.25 -0.46 -4.97 115.22 117.62 1aq0 n HIS 221 Ca 0.07 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 1aq0 n HIS 221 Cb 0.15 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.36 0.60 1.73 -1.41 0.00 -1.11 -4.51 105.19 99.12 1aq0 n GLY 222 Ca 0.15 -0.80 -0.15 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 -1.92 5.69 0.27 -0.02 0.00 -0.13 -4.77 105.19 104.30 1aq0 n GLY 223 Ca 0.00 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.99 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 1.91 0.00 -0.15 1.61 4.64 -1.80 -1.85 113.55 117.91 1aq0 h SER 224 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1aq0 h SER 224 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1aq0 h SER 224 CO 0.53 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.95 1aq0 n SER 225 N -2.85 3.04 -4.70 4.97 3.41 -1.26 -4.93 113.62 111.30 1aq0 n SER 225 Ca -0.01 -1.97 -0.40 0.00 -0.26 0.00 0.00 58.87 56.23 1aq0 n SER 225 Cb 0.16 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.84 4.99 0.44 -3.33 1.01 -0.70 -5.02 120.40 115.96 1aq0 s VAL 226 Ca 0.32 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.65 1aq0 s VAL 226 Cb 0.21 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1aq0 s VAL 226 CO 0.31 0.17 0.85 -0.54 0.00 0.00 0.00 175.10 175.89 1aq0 s LYS 227 N 1.32 3.88 -0.10 2.72 1.02 -1.26 -4.91 119.74 122.41 1aq0 s LYS 227 Ca 0.37 0.68 -0.01 0.00 0.02 0.00 0.00 55.97 57.03 1aq0 s LYS 227 Cb -0.17 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1aq0 s LYS 227 CO 0.16 -0.10 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.28 1aq0 s LEU 228 N -3.82 3.34 -0.10 3.17 2.96 -1.26 -1.27 118.68 121.69 1aq0 s LEU 228 Ca 0.55 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1aq0 s LEU 228 Cb -0.10 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1aq0 s LEU 228 CO 0.29 0.31 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.73 1aq0 s VAL 229 N -0.50 2.31 -0.64 1.68 1.01 -0.14 -4.54 120.40 119.58 1aq0 s VAL 229 Ca 0.08 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1aq0 s VAL 229 Cb -0.12 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.43 1aq0 s VAL 229 CO 0.02 0.55 0.95 -0.69 0.00 0.00 0.00 175.10 175.94 1aq0 s VAL 230 N 0.23 4.34 -0.87 2.92 1.01 -0.30 -0.91 120.40 126.82 1aq0 s VAL 230 Ca -0.14 -0.24 0.26 0.00 0.00 0.00 0.00 61.98 61.86 1aq0 s VAL 230 Cb -0.17 -4.65 0.25 0.00 0.00 0.00 0.00 36.38 31.81 1aq0 s VAL 230 CO 0.07 -1.39 1.82 -1.54 0.00 0.00 0.00 175.10 174.07 1aq0 n SER 231 N 7.65 0.32 -3.62 3.32 3.41 -0.17 -0.95 113.62 123.58 1aq0 n SER 231 Ca -0.03 0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 1aq0 n SER 231 Cb 0.46 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 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 -3.06 0.85 -0.26 4.33 2.02 -1.22 -4.59 118.70 116.77 1aq0 s GLU 232 Ca 0.12 0.83 -0.26 0.00 0.02 0.00 0.00 54.97 55.67 1aq0 s GLU 232 Cb 0.15 0.41 0.15 0.00 0.10 0.00 0.00 34.13 34.95 1aq0 s GLU 232 CO 0.52 -0.14 1.19 0.45 0.02 0.00 0.00 175.26 177.30 1aq0 s SER 233 N 0.08 -0.26 0.00 -0.19 0.15 -1.06 -1.34 113.70 111.08 1aq0 s SER 233 Ca -0.02 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1aq0 s SER 233 Cb -0.04 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1aq0 s SER 233 CO 0.03 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1aq0 n GLY 234 N 1.53 -1.26 3.01 9.45 0.00 -1.26 -0.43 105.19 116.22 1aq0 n GLY 234 Ca -0.10 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.42 -0.28 0.45 1.61 -0.11 -1.26 -4.65 118.94 112.27 1aq0 s TRP 235 Ca 0.00 0.71 -0.23 0.00 1.22 0.00 0.00 56.10 57.79 1aq0 s TRP 235 Cb 0.00 -0.00 -0.08 0.00 -1.50 0.00 0.00 33.47 31.89 1aq0 s TRP 235 CO 0.00 -0.22 1.15 -1.25 -4.62 0.00 0.00 176.95 172.01 1aq0 s PRO 236 N 1.32 3.83 0.00 5.86 0.04 -1.26 -4.65 135.00 140.13 1aq0 s PRO 236 Ca -0.09 1.75 0.26 0.00 0.04 0.00 0.00 61.00 62.97 1aq0 s PRO 236 Cb -0.11 -2.44 0.67 0.00 0.04 0.00 0.00 34.50 32.66 1aq0 s PRO 236 CO -0.08 -0.49 1.53 -1.13 0.04 0.00 0.00 177.00 176.88 1aq0 n SER 237 N -0.40 2.15 -3.65 6.66 3.41 -0.10 -3.21 113.62 118.49 1aq0 n SER 237 Ca 0.07 -1.72 0.03 0.00 -0.26 0.00 0.00 58.87 56.99 1aq0 n SER 237 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.00 -0.38 0.00 5.00 0.00 -1.18 -3.17 107.32 105.59 1aq0 s GLY 238 Ca 0.34 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1aq0 s GLY 238 CO 0.32 1.39 0.00 0.61 0.00 0.00 0.00 173.10 175.42 1aq0 n GLY 239 N -0.59 0.75 3.88 0.20 0.00 -1.26 -3.96 105.19 104.20 1aq0 n GLY 239 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.53 0.18 0.28 -0.02 0.00 -1.26 -3.54 107.32 101.42 1aq0 s GLY 240 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 1aq0 s GLY 240 CO 0.00 2.15 1.61 -1.59 0.00 0.00 0.00 173.10 175.27 1aq0 s THR 241 N -2.13 2.08 0.00 0.90 2.01 -1.26 -2.09 115.64 115.15 1aq0 s THR 241 Ca 0.21 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1aq0 s THR 241 Cb -0.03 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1aq0 s THR 241 CO 0.06 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.00 1aq0 n ALA 242 N 2.49 0.00 -2.96 7.40 0.00 -1.26 -4.92 120.51 121.27 1aq0 n ALA 242 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 1aq0 n ALA 242 Cb 0.37 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.15 3.26 0.06 0.00 0.00 -0.89 -4.78 121.76 118.27 1aq0 s ALA 243 Ca 0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 51.96 49.85 1aq0 s ALA 243 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1aq0 s ALA 243 CO 0.00 -2.64 -0.00 0.95 0.00 0.00 0.00 175.76 174.07 1aq0 s THR 244 N 3.40 0.20 0.40 0.00 -4.23 -1.20 -3.09 115.64 111.12 1aq0 s THR 244 Ca 0.19 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1aq0 s THR 244 Cb -0.18 -1.57 0.26 0.00 1.34 0.00 0.00 72.50 72.36 1aq0 s THR 244 CO 0.07 -0.91 2.05 -0.65 -0.54 0.00 0.00 174.62 174.64 1aq0 h PRO 245 N 3.08 0.60 -0.43 3.99 0.11 -1.85 -0.81 132.00 136.70 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 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1aq0 h PRO 245 CO 0.64 0.40 -0.09 0.00 -0.21 0.00 0.00 178.00 178.74 1aq0 h ALA 246 N 1.71 0.59 -0.17 -0.75 0.00 -1.96 -1.27 119.26 117.42 1aq0 h ALA 246 Ca 0.17 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1aq0 h ALA 246 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1aq0 h ALA 246 CO -0.04 0.46 -0.69 -0.91 0.00 0.00 0.00 179.25 178.07 1aq0 h ASN 247 N 0.65 0.82 -0.49 0.00 2.35 -1.76 -1.86 115.58 115.28 1aq0 h ASN 247 Ca 0.11 -0.50 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 1aq0 h ASN 247 Cb 0.62 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1aq0 h ASN 247 CO 0.04 1.28 0.14 0.00 -1.65 0.00 0.00 177.43 177.24 1aq0 h ALA 248 N 0.71 0.64 -0.42 -0.83 0.00 -1.11 -1.00 119.26 117.26 1aq0 h ALA 248 Ca -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1aq0 h ALA 248 Cb 1.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1aq0 h ALA 248 CO 0.14 0.30 0.11 -0.09 0.00 0.00 0.00 179.25 179.71 1aq0 h ARG 249 N 0.66 0.67 -0.02 0.00 2.43 -1.23 -1.06 114.38 115.83 1aq0 h ARG 249 Ca 0.16 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1aq0 h ARG 249 Cb 0.29 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1aq0 h ARG 249 CO -0.00 0.68 -0.07 0.35 -1.51 0.00 0.00 179.97 179.41 1aq0 h PHE 250 N 0.54 -0.19 0.49 2.20 3.04 -1.06 0.11 116.94 122.07 1aq0 h PHE 250 Ca 0.13 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 1aq0 h PHE 250 Cb 0.31 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1aq0 h PHE 250 CO 0.02 -0.12 -0.24 -0.92 -2.02 0.00 0.00 178.31 175.03 1aq0 h TYR 251 N -0.12 -0.61 -0.70 0.41 3.20 -1.10 -1.57 116.97 116.47 1aq0 h TYR 251 Ca 0.04 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1aq0 h TYR 251 Cb 0.17 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1aq0 h TYR 251 CO -0.15 -0.35 0.26 -0.91 -1.64 0.00 0.00 178.16 175.36 1aq0 h ASN 252 N -0.72 0.97 -0.19 -2.11 -0.26 -1.10 0.37 115.58 112.54 1aq0 h ASN 252 Ca -0.07 -0.15 -0.15 0.00 -0.56 0.00 0.00 56.30 55.37 1aq0 h ASN 252 Cb 0.54 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1aq0 h ASN 252 CO 0.11 0.88 -0.41 -0.61 -1.06 0.00 0.00 177.43 176.34 1aq0 h GLN 253 N 1.02 0.73 -0.30 0.81 5.75 -0.79 -1.81 115.11 120.52 1aq0 h GLN 253 Ca 0.23 -0.38 -0.12 0.00 -0.15 0.00 0.00 58.65 58.23 1aq0 h GLN 253 Cb 0.23 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1aq0 h GLN 253 CO -0.02 1.00 -0.32 0.45 -2.65 0.00 0.00 178.83 177.30 1aq0 h HIS 254 N 0.60 0.75 -0.02 3.99 3.86 -0.94 -2.26 115.15 121.11 1aq0 h HIS 254 Ca 0.05 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1aq0 h HIS 254 Cb 0.95 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 1aq0 h HIS 254 CO 0.05 0.88 0.01 1.25 0.86 0.00 0.00 177.93 180.98 1aq0 h LEU 255 N 0.55 0.03 -0.71 2.43 5.85 -0.74 0.69 115.31 123.40 1aq0 h LEU 255 Ca 0.06 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1aq0 h LEU 255 Cb 0.81 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1aq0 h LEU 255 CO 0.07 0.07 0.38 0.40 -0.34 0.00 0.00 178.44 179.02 1aq0 h ILE 256 N -0.02 0.90 0.00 4.05 2.04 -1.24 -1.18 117.51 122.06 1aq0 h ILE 256 Ca 0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1aq0 h ILE 256 Cb 0.05 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1aq0 h ILE 256 CO -0.00 0.12 0.00 0.78 0.00 0.00 0.00 178.15 179.05 1aq0 h ASN 257 N 0.67 0.00 0.04 1.72 2.35 -1.06 -3.37 115.58 115.93 1aq0 h ASN 257 Ca 0.34 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.77 1aq0 h ASN 257 Cb 0.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 1aq0 h ASN 257 CO -0.23 0.00 -1.76 1.57 -1.65 0.00 0.00 177.43 175.36 1aq0 n HIS 258 N -2.74 0.90 0.15 1.19 -0.00 0.21 -4.59 115.22 110.34 1aq0 n HIS 258 Ca 0.03 0.30 0.19 0.00 0.46 0.00 0.00 57.72 58.70 1aq0 n HIS 258 Cb 0.41 -1.10 0.71 0.00 -0.12 0.00 0.00 29.99 29.89 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 -0.56 0.22 0.00 3.57 -1.51 -1.44 -2.21 116.25 114.33 1aq0 h VAL 259 Ca -0.44 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.00 1aq0 h VAL 259 Cb 1.64 0.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 1aq0 h VAL 259 CO -0.13 0.00 -0.17 1.23 -1.23 0.00 0.00 177.57 177.27 1aq0 h GLY 260 N 0.00 0.00 0.30 5.19 0.00 -1.81 -0.68 103.07 106.07 1aq0 h GLY 260 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1aq0 h GLY 260 CO -0.00 0.00 -1.45 -2.13 0.00 0.00 0.00 176.54 172.96 1aq0 n ARG 261 N -3.44 0.45 0.00 4.80 3.00 -0.83 -1.97 116.66 118.67 1aq0 n ARG 261 Ca -0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1aq0 n ARG 261 Cb 0.35 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1aq0 n ARG 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aq0 n GLY 262 N 1.31 -1.27 3.77 5.14 0.00 -0.92 -1.52 105.19 111.71 1aq0 n GLY 262 Ca -0.01 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 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 2.23 0.22 2.61 -4.23 -0.78 -4.87 115.64 110.83 1aq0 s THR 263 Ca 0.00 -1.66 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1aq0 s THR 263 Cb 0.00 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 71.13 1aq0 s THR 263 CO 0.00 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.16 1aq0 h PRO 264 N 1.33 0.40 0.00 3.99 0.11 -1.90 -2.42 132.00 133.51 1aq0 h PRO 264 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1aq0 h PRO 264 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1aq0 h PRO 264 CO 0.68 0.27 -0.83 0.54 -0.21 0.00 0.00 178.00 178.45 1aq0 n ARG 265 N -5.01 0.16 -3.35 1.05 1.74 -1.26 -4.57 116.66 105.42 1aq0 n ARG 265 Ca 0.11 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.94 1aq0 n ARG 265 Cb 0.34 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.76 0.54 -1.86 -1.55 8.25 -0.94 -5.12 115.22 112.78 1aq0 n HIS 266 Ca 0.03 -3.67 -0.35 0.00 -0.26 0.00 0.00 57.72 53.47 1aq0 n HIS 266 Cb 0.39 -0.25 0.05 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.11 2.77 0.00 -0.41 0.04 -1.05 -1.86 135.00 133.37 1aq0 s PRO 267 Ca 0.34 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1aq0 s PRO 267 Cb 0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1aq0 s PRO 267 CO -0.12 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1aq0 n GLY 268 N 0.39 2.92 3.75 0.56 0.00 -0.57 -4.87 105.19 107.36 1aq0 n GLY 268 Ca 0.13 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.14 2.39 -3.25 4.61 0.00 -0.83 -2.16 120.51 121.13 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 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 16.88 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 -0.32 3.64 0.02 0.00 1.01 -0.27 -4.92 121.20 120.36 1aq0 s ILE 270 Ca 0.61 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1aq0 s ILE 270 Cb -0.50 -2.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 1aq0 s ILE 270 CO 0.53 0.44 1.54 -0.70 0.00 0.00 0.00 174.94 176.74 1aq0 s GLU 271 N 1.12 4.23 0.02 2.79 2.12 -1.26 -4.78 118.70 122.94 1aq0 s GLU 271 Ca 0.02 2.14 0.03 0.00 0.36 0.00 0.00 54.97 57.52 1aq0 s GLU 271 Cb -0.15 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 1aq0 s GLU 271 CO 0.00 -0.68 -0.10 0.99 -0.54 0.00 0.00 175.26 174.93 1aq0 s THR 272 N 2.74 0.76 -0.12 -1.70 2.01 -1.26 -1.15 115.64 116.92 1aq0 s THR 272 Ca 0.69 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1aq0 s THR 272 Cb -0.35 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1aq0 s THR 272 CO 0.29 0.02 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.76 1aq0 s TYR 273 N -0.62 2.15 -0.00 4.92 1.51 -0.13 -0.62 117.35 124.56 1aq0 s TYR 273 Ca 0.00 -1.07 -0.25 0.00 -1.01 0.00 0.00 57.07 54.75 1aq0 s TYR 273 Cb -0.06 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1aq0 s TYR 273 CO 0.00 -0.54 0.77 0.42 -1.11 0.00 0.00 175.55 175.10 1aq0 s ILE 274 N 1.03 4.87 -0.32 2.71 1.01 -0.02 -2.56 121.20 127.93 1aq0 s ILE 274 Ca -0.05 1.62 -0.10 0.00 0.00 0.00 0.00 60.65 62.13 1aq0 s ILE 274 Cb -0.15 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 1aq0 s ILE 274 CO -0.03 0.30 0.15 0.12 0.00 0.00 0.00 174.94 175.48 1aq0 s PHE 275 N 0.40 3.18 0.31 3.97 5.36 0.43 -0.41 117.98 131.22 1aq0 s PHE 275 Ca 0.40 -0.64 -0.07 0.00 -0.96 0.00 0.00 56.93 55.66 1aq0 s PHE 275 Cb -0.20 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 1aq0 s PHE 275 CO 0.22 -0.49 0.48 0.00 -1.46 0.00 0.00 175.22 173.98 1aq0 s ALA 276 N 1.60 0.33 0.08 11.12 0.00 -0.49 -4.28 121.76 130.12 1aq0 s ALA 276 Ca 0.04 -1.25 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 1aq0 s ALA 276 Cb -0.17 1.10 -0.15 0.00 0.00 0.00 0.00 23.12 23.89 1aq0 s ALA 276 CO 0.06 -0.82 1.72 1.98 0.00 0.00 0.00 175.76 178.70 1aq0 h MET 277 N 2.18 -0.00 -5.59 0.00 4.05 -1.38 -1.24 114.93 112.94 1aq0 h MET 277 Ca -0.28 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 58.68 1aq0 h MET 277 Cb 1.24 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.90 1aq0 h MET 277 CO 0.39 0.02 -0.73 -0.06 0.23 0.00 0.00 176.91 176.76 1aq0 s PHE 278 N -6.09 1.75 0.28 1.39 0.08 -1.26 -1.04 117.98 113.09 1aq0 s PHE 278 Ca -0.13 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.06 1aq0 s PHE 278 Cb 0.06 -0.82 -0.10 0.00 -0.57 0.00 0.00 43.02 41.60 1aq0 s PHE 278 CO 0.66 0.37 1.17 -0.80 -0.10 0.00 0.00 175.22 176.53 1aq0 s ASN 279 N -3.33 7.10 -0.30 1.36 0.01 -1.09 -3.72 114.94 114.98 1aq0 s ASN 279 Ca 0.23 2.38 -0.01 0.00 -0.71 0.00 0.00 52.86 54.75 1aq0 s ASN 279 Cb -0.01 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 39.08 1aq0 s ASN 279 CO 0.07 -0.29 -0.01 -1.61 -1.51 0.00 0.00 177.10 173.76 1aq0 s GLU 280 N -1.33 2.37 0.00 -0.60 2.02 -1.25 -4.77 118.70 115.14 1aq0 s GLU 280 Ca 0.47 -1.31 0.15 0.00 0.02 0.00 0.00 54.97 54.30 1aq0 s GLU 280 Cb -0.34 -3.15 0.68 0.00 0.10 0.00 0.00 34.13 31.41 1aq0 s GLU 280 CO 0.43 -0.63 1.48 0.27 0.02 0.00 0.00 175.26 176.83 1aq0 n ASN 281 N 4.59 0.00 -1.70 -0.19 6.94 -1.24 -2.95 115.26 120.70 1aq0 n ASN 281 Ca -0.13 0.43 0.06 0.00 -0.02 0.00 0.00 54.58 54.92 1aq0 n ASN 281 Cb 0.43 -0.46 0.37 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.46 4.36 -3.10 -3.83 6.02 -0.49 -4.93 117.38 113.95 1aq0 n GLN 282 Ca 0.04 -3.10 -0.20 0.00 -0.01 0.00 0.00 57.00 53.73 1aq0 n GLN 282 Cb 0.17 -2.18 0.05 0.00 1.02 0.00 0.00 30.24 29.30 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 -2.82 2.38 0.56 -1.09 1.02 -1.15 -4.90 119.74 113.74 1aq0 s LYS 283 Ca 0.52 -1.61 -0.21 0.00 0.02 0.00 0.00 55.97 54.70 1aq0 s LYS 283 Cb 0.41 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1aq0 s LYS 283 CO 0.14 -0.75 1.32 -0.51 -0.92 0.00 0.00 175.35 174.63 1aq0 s ASP 284 N -4.58 5.21 0.34 2.83 1.01 -1.26 -4.82 116.67 115.39 1aq0 s ASP 284 Ca 0.59 2.67 -0.29 0.00 0.71 0.00 0.00 52.55 56.23 1aq0 s ASP 284 Cb -0.06 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1aq0 s ASP 284 CO 0.37 -1.60 1.32 -0.94 0.21 0.00 0.00 175.17 174.52 1aq0 s SER 285 N -1.12 6.74 0.00 0.27 1.04 -1.26 -3.45 113.70 115.92 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 -0.38 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.09 1aq0 s SER 285 CO 0.44 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1aq0 n GLY 286 N 0.77 0.14 0.32 7.32 0.00 -1.26 -4.70 105.19 107.78 1aq0 n GLY 286 Ca 0.00 -1.92 0.06 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 1.04 -0.22 1.61 -1.51 -1.68 -2.72 116.25 112.77 1aq0 h VAL 287 Ca 0.00 -0.19 0.06 0.00 -1.23 0.00 0.00 66.70 65.35 1aq0 h VAL 287 Cb 0.00 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.61 1aq0 h VAL 287 CO 0.00 0.10 0.26 -0.33 -1.23 0.00 0.00 177.57 176.37 1aq0 h GLU 288 N 0.54 0.00 -0.38 5.19 4.39 -1.84 0.16 114.58 122.64 1aq0 h GLU 288 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1aq0 h GLU 288 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 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 -3.69 2.23 -2.43 2.33 6.02 -1.03 -4.42 117.38 116.39 1aq0 n GLN 289 Ca 0.03 -1.88 -0.13 0.00 -0.01 0.00 0.00 57.00 55.01 1aq0 n GLN 289 Cb 0.39 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.23 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 1.07 3.27 -0.42 1.08 3.02 0.57 -3.86 115.26 119.99 1aq0 n ASN 290 Ca 0.18 -2.93 0.12 0.00 -0.03 0.00 0.00 54.58 51.92 1aq0 n ASN 290 Cb 0.49 -0.42 0.14 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.62 0.00 -2.42 3.10 7.02 -1.25 -0.92 117.44 122.36 1aq0 n TRP 291 Ca 0.26 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.39 1aq0 n TRP 291 Cb 0.87 -0.04 -0.02 0.00 -2.42 0.00 0.00 31.31 29.70 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 -2.47 2.57 0.09 6.99 0.00 -1.24 -1.40 107.32 111.86 1aq0 s GLY 292 Ca 0.21 0.71 0.12 0.00 0.00 0.00 0.00 44.72 45.76 1aq0 s GLY 292 CO 0.54 1.05 1.04 1.41 0.00 0.00 0.00 173.10 177.14 1aq0 h LEU 293 N 1.41 0.00 -8.64 0.66 3.38 -0.65 -3.45 115.31 108.03 1aq0 h LEU 293 Ca -0.50 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 1aq0 h LEU 293 Cb 1.24 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.78 1aq0 h LEU 293 CO 0.58 0.82 -0.80 -0.36 0.09 0.00 0.00 178.44 178.77 1aq0 s PHE 294 N -2.77 1.64 0.63 1.13 0.40 -0.20 -0.92 117.98 117.90 1aq0 s PHE 294 Ca -0.01 -0.45 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 1aq0 s PHE 294 Cb 0.09 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.72 1aq0 s PHE 294 CO 0.81 0.19 1.01 0.71 0.70 0.00 0.00 175.22 178.63 1aq0 s TYR 295 N -1.41 3.45 0.56 0.36 2.02 0.69 -2.65 117.35 120.36 1aq0 s TYR 295 Ca 0.06 1.05 0.25 0.00 -0.37 0.00 0.00 57.07 58.06 1aq0 s TYR 295 Cb -0.09 -2.81 1.56 0.00 -0.40 0.00 0.00 41.96 40.21 1aq0 s TYR 295 CO 0.04 -0.86 2.15 -1.35 -1.57 0.00 0.00 175.55 173.97 1aq0 h PRO 296 N -0.37 0.00 0.00 -1.71 0.11 -1.88 -0.09 132.00 128.06 1aq0 h PRO 296 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1aq0 h PRO 296 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 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 -4.12 0.00 0.00 -2.05 6.94 -1.26 -4.36 115.26 110.42 1aq0 n ASN 297 Ca -0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 1aq0 n ASN 297 Cb 0.21 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.72 0.00 -3.10 -3.83 2.81 -0.05 -5.05 117.12 107.18 1aq0 n MET 298 Ca 0.11 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.64 1aq0 n MET 298 Cb 0.05 -2.58 -0.06 0.00 -0.71 0.00 0.00 33.22 29.92 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 -0.11 4.21 0.35 0.03 -0.21 -1.25 -4.82 119.66 117.86 1aq0 s GLN 299 Ca 0.00 0.85 -0.28 0.00 0.02 0.00 0.00 55.36 55.95 1aq0 s GLN 299 Cb 0.00 -2.79 -0.10 0.00 1.00 0.00 0.00 33.01 31.12 1aq0 s GLN 299 CO 0.00 0.34 1.31 -1.01 -2.12 0.00 0.00 175.29 173.81 1aq0 s HIS 300 N -1.62 2.98 0.17 0.91 3.76 -1.26 -0.23 115.29 120.01 1aq0 s HIS 300 Ca 0.45 1.41 0.08 0.00 -0.15 0.00 0.00 55.06 56.85 1aq0 s HIS 300 Cb -0.15 -3.69 -0.01 0.00 1.11 0.00 0.00 32.58 29.84 1aq0 s HIS 300 CO 0.20 -1.95 1.40 0.28 -0.85 0.00 0.00 174.74 173.82 1aq0 h VAL 301 N 2.91 1.61 -2.36 -0.90 2.07 -1.33 -3.44 116.25 114.80 1aq0 h VAL 301 Ca -0.49 -2.94 -0.07 0.00 0.82 0.00 0.00 66.70 64.02 1aq0 h VAL 301 Cb 1.23 2.59 -0.18 0.00 -1.52 0.00 0.00 31.29 33.41 1aq0 h VAL 301 CO 0.65 0.84 0.09 -0.72 0.02 0.00 0.00 177.57 178.45 1aq0 s TYR 302 N -3.04 -0.53 0.25 1.57 -0.85 -1.26 -4.97 117.35 108.51 1aq0 s TYR 302 Ca -0.00 0.82 -0.30 0.00 -0.52 0.00 0.00 57.07 57.07 1aq0 s TYR 302 Cb 0.11 0.36 -0.10 0.00 0.38 0.00 0.00 41.96 42.70 1aq0 s TYR 302 CO 0.80 -0.60 1.51 -1.25 -1.52 0.00 0.00 175.55 174.49 1aq0 s PRO 303 N -1.60 4.22 -0.06 -3.49 0.04 -1.26 -5.01 135.00 127.83 1aq0 s PRO 303 Ca -0.10 2.39 -0.06 0.00 0.04 0.00 0.00 61.00 63.28 1aq0 s PRO 303 Cb -0.01 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1aq0 s PRO 303 CO 0.06 -0.52 0.16 0.42 0.04 0.00 0.00 177.00 177.16 1aq0 s ILE 304 N 0.21 -0.00 -0.18 0.56 -1.09 -1.26 -4.97 121.20 114.47 1aq0 s ILE 304 Ca 0.62 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1aq0 s ILE 304 Cb -0.44 -0.23 0.02 0.00 -1.58 0.00 0.00 42.46 40.23 1aq0 s ILE 304 CO 0.42 0.00 -0.18 0.21 -1.23 0.00 0.00 174.94 174.17 1aq0 s ASN 305 N 0.11 3.07 0.00 3.58 2.47 -1.26 -5.17 114.94 117.74 1aq0 s ASN 305 Ca -0.00 -0.64 0.28 0.00 0.42 0.00 0.00 52.86 52.92 1aq0 s ASN 305 Cb -0.01 -1.39 1.15 0.00 -1.45 0.00 0.00 41.25 39.55 1aq0 s ASN 305 CO 0.00 -0.03 1.80 0.49 -3.72 0.00 0.00 177.10 175.65