#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia0 s ALA 4 N 0.00 3.56 0.45 4.61 0.00 -0.99 -4.84 121.76 124.55 1ia0 s ALA 4 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 1ia0 s ALA 4 Cb 0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 1ia0 s ALA 4 CO 0.00 -0.21 1.25 -1.12 0.00 0.00 0.00 175.76 175.68 1ia0 s SER 5 N 0.92 6.06 -0.11 0.00 0.01 -1.26 -1.50 113.70 117.81 1ia0 s SER 5 Ca 0.19 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.67 1ia0 s SER 5 Cb -0.14 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1ia0 s SER 5 CO 0.07 -1.01 1.33 -0.69 0.41 0.00 0.00 173.24 173.35 1ia0 s VAL 6 N -1.39 4.10 0.27 3.43 1.01 -0.59 -4.78 120.40 122.44 1ia0 s VAL 6 Ca 0.62 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 1ia0 s VAL 6 Cb -0.34 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1ia0 s VAL 6 CO 0.42 -0.09 0.99 -0.54 0.00 0.00 0.00 175.10 175.88 1ia0 s LYS 7 N 3.25 4.74 -0.05 2.72 1.02 -0.74 -4.42 119.74 126.26 1ia0 s LYS 7 Ca 0.59 1.56 0.03 0.00 0.02 0.00 0.00 55.97 58.17 1ia0 s LYS 7 Cb -0.25 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1ia0 s LYS 7 CO 0.20 0.38 -0.13 0.08 -0.92 0.00 0.00 175.35 174.96 1ia0 s VAL 8 N -1.24 1.12 0.06 3.17 1.01 -1.26 -0.68 120.40 122.57 1ia0 s VAL 8 Ca 0.44 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.96 1ia0 s VAL 8 Cb -0.27 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1ia0 s VAL 8 CO 0.33 0.34 -0.16 0.00 0.00 0.00 0.00 175.10 175.62 1ia0 s ALA 9 N 0.38 1.31 0.11 5.51 0.00 -0.43 -1.09 121.76 127.55 1ia0 s ALA 9 Ca -0.09 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1ia0 s ALA 9 Cb -0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ia0 s ALA 9 CO 0.02 0.24 -0.21 0.14 0.00 0.00 0.00 175.76 175.95 1ia0 s VAL 10 N -1.01 1.79 -0.09 0.00 -7.23 -0.86 0.13 120.40 113.13 1ia0 s VAL 10 Ca 0.02 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1ia0 s VAL 10 Cb -0.09 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 35.26 1ia0 s VAL 10 CO 0.02 -0.07 0.19 -0.60 -0.31 0.00 0.00 175.10 174.33 1ia0 s ARG 11 N -2.03 0.14 -0.15 4.82 3.52 0.39 -0.90 118.95 124.74 1ia0 s ARG 11 Ca 0.08 0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 56.09 1ia0 s ARG 11 Cb -0.10 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.10 1ia0 s ARG 11 CO 0.05 -0.17 0.04 0.54 -0.81 0.00 0.00 175.30 174.94 1ia0 s VAL 12 N 1.30 4.62 0.55 7.11 0.11 -0.89 0.04 120.40 133.24 1ia0 s VAL 12 Ca -0.08 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 1ia0 s VAL 12 Cb -0.11 -3.03 0.06 0.00 -1.53 0.00 0.00 36.38 31.77 1ia0 s VAL 12 CO -0.07 0.52 0.77 0.00 -3.33 0.00 0.00 175.10 172.98 1ia0 s ARG 13 N -0.07 2.38 0.84 1.54 1.70 -1.07 -1.49 118.95 122.78 1ia0 s ARG 13 Ca 0.05 -1.26 -0.12 0.00 -0.47 0.00 0.00 55.73 53.94 1ia0 s ARG 13 Cb -0.12 -2.59 0.10 0.00 -0.57 0.00 0.00 34.95 31.77 1ia0 s ARG 13 CO 0.01 -0.78 1.11 -2.14 -1.08 0.00 0.00 175.30 172.42 1ia0 s PRO 14 N -4.69 1.69 0.69 3.89 0.02 -1.17 -4.35 135.00 131.08 1ia0 s PRO 14 Ca 0.60 0.55 -0.17 0.00 0.02 0.00 0.00 61.00 62.00 1ia0 s PRO 14 Cb -0.08 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1ia0 s PRO 14 CO 0.38 -1.87 1.25 1.19 -0.33 0.00 0.00 177.00 177.62 1ia0 n PHE 15 N -3.59 1.69 -3.80 6.54 3.72 -1.26 -4.85 117.46 115.91 1ia0 n PHE 15 Ca 0.07 0.42 -0.26 0.00 -0.05 0.00 0.00 57.45 57.63 1ia0 n PHE 15 Cb 0.57 -2.22 0.01 0.00 -0.94 0.00 0.00 39.48 36.90 1ia0 n PHE 15 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ia0 n ASN 16 N -2.18 2.73 -0.20 4.37 0.23 -1.26 -4.94 115.26 114.02 1ia0 n ASN 16 Ca 0.15 -2.90 -0.01 0.00 -0.53 0.00 0.00 54.58 51.30 1ia0 n ASN 16 Cb 0.49 -0.09 0.10 0.00 -2.08 0.00 0.00 39.78 38.20 1ia0 n ASN 16 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1ia0 h SER 17 N 0.61 0.26 0.52 0.53 0.87 -1.99 -1.53 113.55 112.83 1ia0 h SER 17 Ca -0.35 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1ia0 h SER 17 Cb 1.30 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1ia0 h SER 17 CO 0.54 0.16 -0.44 -0.09 -0.53 0.00 0.00 176.83 176.48 1ia0 h ARG 18 N 0.43 -0.91 -0.87 2.24 2.43 -1.99 -0.57 114.38 115.14 1ia0 h ARG 18 Ca 0.29 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.62 1ia0 h ARG 18 Cb 0.32 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1ia0 h ARG 18 CO -0.27 -0.61 0.52 0.93 -1.51 0.00 0.00 179.97 179.03 1ia0 h GLU 19 N -0.95 0.84 -0.64 0.20 5.08 -1.92 -1.56 114.58 115.64 1ia0 h GLU 19 Ca -0.06 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1ia0 h GLU 19 Cb 0.81 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1ia0 h GLU 19 CO -0.01 0.55 0.13 0.52 -1.00 0.00 0.00 179.01 179.20 1ia0 h MET 20 N 0.86 1.02 0.00 2.33 2.86 -1.01 -1.46 114.93 119.53 1ia0 h MET 20 Ca 0.42 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1ia0 h MET 20 Cb 0.37 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1ia0 h MET 20 CO -0.24 0.92 0.00 0.66 1.06 0.00 0.00 176.91 179.30 1ia0 h SER 21 N 0.96 0.00 -0.40 1.22 4.64 -0.07 -2.16 113.55 117.74 1ia0 h SER 21 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ia0 h SER 21 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ia0 h SER 21 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1ia0 n ARG 22 N -2.99 2.94 -3.55 4.77 1.74 -0.94 -4.98 116.66 113.65 1ia0 n ARG 22 Ca -0.01 -2.30 -0.20 0.00 -0.77 0.00 0.00 57.85 54.57 1ia0 n ARG 22 Cb 0.18 -1.44 0.07 0.00 -1.02 0.00 0.00 32.46 30.26 1ia0 n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ia0 n ASP 23 N 0.53 -3.20 -4.76 0.55 8.00 -0.81 -4.93 116.55 111.93 1ia0 n ASP 23 Ca 0.16 -0.64 -0.41 0.00 0.71 0.00 0.00 54.79 54.61 1ia0 n ASP 23 Cb 0.55 -4.84 -0.03 0.00 -0.02 0.00 0.00 41.12 36.78 1ia0 n ASP 23 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ia0 s SER 24 N -4.02 7.02 0.25 -2.24 0.01 -0.59 -5.04 113.70 109.08 1ia0 s SER 24 Ca 0.20 2.46 0.05 0.00 1.31 0.00 0.00 55.95 59.97 1ia0 s SER 24 Cb -0.09 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1ia0 s SER 24 CO 0.75 -0.35 0.36 -0.54 0.41 0.00 0.00 173.24 173.87 1ia0 s LYS 25 N -1.42 3.39 -0.06 12.44 1.02 -1.26 -4.91 119.74 128.94 1ia0 s LYS 25 Ca 0.48 -0.79 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 1ia0 s LYS 25 Cb -0.36 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1ia0 s LYS 25 CO 0.46 0.40 0.80 0.00 -0.92 0.00 0.00 175.35 176.09 1ia0 n ILE 27 N 3.95 1.47 -5.09 0.00 -5.35 -0.22 -4.92 119.36 109.20 1ia0 n ILE 27 Ca 0.02 -1.42 -0.32 0.00 -0.27 0.00 0.00 62.75 60.76 1ia0 n ILE 27 Cb 0.51 0.19 -0.15 0.00 -1.74 0.00 0.00 39.64 38.45 1ia0 n ILE 27 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ia0 s ILE 28 N -1.76 2.50 0.04 7.28 -1.09 -1.26 -0.99 121.20 125.93 1ia0 s ILE 28 Ca 0.24 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1ia0 s ILE 28 Cb 0.17 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 39.08 1ia0 s ILE 28 CO 0.08 0.57 -0.10 -1.10 -1.23 0.00 0.00 174.94 173.16 1ia0 s GLN 29 N -0.28 0.67 0.03 2.79 -0.21 -0.32 -5.00 119.66 117.35 1ia0 s GLN 29 Ca 0.01 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.69 1ia0 s GLN 29 Cb -0.13 -0.58 -0.02 0.00 1.00 0.00 0.00 33.01 33.28 1ia0 s GLN 29 CO 0.03 0.13 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.62 1ia0 s MET 30 N -1.30 0.50 -0.30 2.91 -1.94 -1.26 -0.59 119.30 117.32 1ia0 s MET 30 Ca -0.04 -0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 53.16 1ia0 s MET 30 Cb -0.08 -0.29 0.13 0.00 2.01 0.00 0.00 34.83 36.60 1ia0 s MET 30 CO 0.01 0.05 0.72 0.45 -0.01 0.00 0.00 175.02 176.24 1ia0 s SER 31 N -1.37 -1.02 1.77 3.03 0.15 -0.65 -5.03 113.70 110.58 1ia0 s SER 31 Ca -0.09 1.42 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1ia0 s SER 31 Cb -0.09 2.12 0.00 0.00 -1.71 0.00 0.00 66.02 66.34 1ia0 s SER 31 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1ia0 n GLY 32 N 5.27 2.87 1.23 9.45 0.00 -1.26 -1.38 105.19 121.37 1ia0 n GLY 32 Ca -0.12 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1ia0 n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ia0 n SER 33 N 5.55 3.66 -4.82 1.61 3.41 -1.26 -4.24 113.62 117.54 1ia0 n SER 33 Ca 0.00 -1.99 -0.37 0.00 -0.26 0.00 0.00 58.87 56.24 1ia0 n SER 33 Cb 0.00 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1ia0 n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ia0 s THR 34 N -1.28 5.27 -0.09 6.66 2.01 -0.48 -1.31 115.64 126.42 1ia0 s THR 34 Ca 0.43 0.55 0.04 0.00 0.31 0.00 0.00 61.69 63.02 1ia0 s THR 34 Cb 0.24 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 1ia0 s THR 34 CO 0.32 0.53 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.66 1ia0 s THR 35 N -0.59 2.08 -0.04 -0.82 2.01 0.36 -1.63 115.64 117.02 1ia0 s THR 35 Ca 0.19 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.23 1ia0 s THR 35 Cb -0.14 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1ia0 s THR 35 CO 0.07 0.56 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.44 1ia0 s THR 36 N 0.20 2.24 -0.08 -0.82 2.01 0.24 -0.52 115.64 118.91 1ia0 s THR 36 Ca -0.15 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 60.86 1ia0 s THR 36 Cb -0.17 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1ia0 s THR 36 CO 0.07 0.58 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.87 1ia0 s ILE 37 N -0.49 1.71 -0.06 1.82 2.07 0.21 -1.17 121.20 125.29 1ia0 s ILE 37 Ca 0.06 -0.83 -0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1ia0 s ILE 37 Cb -0.11 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 40.94 1ia0 s ILE 37 CO 0.01 0.48 0.20 -0.69 -1.91 0.00 0.00 174.94 173.02 1ia0 s VAL 38 N 0.34 5.42 -0.44 4.00 1.01 -0.16 -1.94 120.40 128.63 1ia0 s VAL 38 Ca -0.14 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1ia0 s VAL 38 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1ia0 s VAL 38 CO 0.06 0.48 0.65 0.21 0.00 0.00 0.00 175.10 176.50 1ia0 s ASN 39 N -1.42 6.32 0.40 3.32 3.84 -1.26 -4.87 114.94 121.27 1ia0 s ASN 39 Ca 0.21 -0.34 0.09 0.00 0.21 0.00 0.00 52.86 53.04 1ia0 s ASN 39 Cb -0.13 -2.32 0.84 0.00 -0.55 0.00 0.00 41.25 39.09 1ia0 s ASN 39 CO 0.11 -0.78 1.96 1.55 -2.79 0.00 0.00 177.10 177.15 1ia0 h PRO 40 N 8.88 0.28 0.16 0.43 0.13 -1.97 -2.83 132.00 137.08 1ia0 h PRO 40 Ca -0.25 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 64.54 1ia0 h PRO 40 Cb 1.10 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ia0 h PRO 40 CO 0.89 0.34 -1.30 0.87 -0.23 0.00 0.00 178.00 178.58 1ia0 h LYS 41 N 0.28 0.34 -2.35 0.86 1.57 -1.93 -3.38 116.57 111.96 1ia0 h LYS 41 Ca 0.06 -0.58 -0.60 0.00 -1.87 0.00 0.00 60.65 57.66 1ia0 h LYS 41 Cb 0.25 0.22 -0.42 0.00 0.08 0.00 0.00 32.23 32.36 1ia0 h LYS 41 CO 0.01 1.28 -0.61 1.04 -0.57 0.00 0.00 179.45 180.60 1ia0 n GLN 42 N -3.58 2.32 0.00 3.15 1.13 -1.17 -4.91 117.38 114.31 1ia0 n GLN 42 Ca -0.10 -4.58 0.03 0.00 -1.94 0.00 0.00 57.00 50.41 1ia0 n GLN 42 Cb 1.04 -2.22 0.15 0.00 0.11 0.00 0.00 30.24 29.32 1ia0 n GLN 42 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1ia0 n PRO 43 N 1.09 0.03 0.00 -1.09 -0.02 -1.08 -2.18 135.00 131.75 1ia0 n PRO 43 Ca 0.28 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 1ia0 n PRO 43 Cb 0.40 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.01 1ia0 n PRO 43 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ia0 n LYS 44 N -1.44 0.05 -2.53 -0.52 2.85 -1.26 -4.84 118.16 110.47 1ia0 n LYS 44 Ca 0.02 0.01 -0.23 0.00 -1.05 0.00 0.00 58.31 57.07 1ia0 n LYS 44 Cb 0.07 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.01 1ia0 n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ia0 s GLU 45 N -2.95 2.28 0.06 -1.58 2.02 -0.93 -5.06 118.70 112.55 1ia0 s GLU 45 Ca 0.15 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 54.19 1ia0 s GLU 45 Cb 0.19 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.97 1ia0 s GLU 45 CO 0.51 -0.98 0.66 -0.08 0.02 0.00 0.00 175.26 175.38 1ia0 s THR 46 N -2.95 4.73 0.43 3.63 -1.32 -1.26 -4.95 115.64 113.95 1ia0 s THR 46 Ca 0.60 1.40 -0.25 0.00 -1.21 0.00 0.00 61.69 62.23 1ia0 s THR 46 Cb -0.09 -4.00 -0.08 0.00 -1.51 0.00 0.00 72.50 66.82 1ia0 s THR 46 CO 0.41 0.46 1.31 -2.84 -2.21 0.00 0.00 174.62 171.75 1ia0 s PRO 47 N -0.55 3.82 -0.02 7.08 0.02 -1.26 -4.95 135.00 139.14 1ia0 s PRO 47 Ca 0.33 2.16 -0.24 0.00 0.02 0.00 0.00 61.00 63.26 1ia0 s PRO 47 Cb -0.20 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 1ia0 s PRO 47 CO 0.20 -0.61 0.74 0.15 -0.33 0.00 0.00 177.00 177.15 1ia0 s LYS 48 N -2.38 4.46 0.07 5.54 1.02 -0.82 -4.86 119.74 122.76 1ia0 s LYS 48 Ca 0.60 0.97 0.06 0.00 0.02 0.00 0.00 55.97 57.62 1ia0 s LYS 48 Cb -0.38 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1ia0 s LYS 48 CO 0.48 0.14 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.82 1ia0 s SER 49 N 0.49 4.28 0.00 2.83 0.01 -1.26 -0.62 113.70 119.43 1ia0 s SER 49 Ca 0.39 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1ia0 s SER 49 Cb -0.19 -0.82 -0.00 0.00 0.21 0.00 0.00 66.02 65.22 1ia0 s SER 49 CO 0.20 0.21 -0.03 -0.36 0.41 0.00 0.00 173.24 173.68 1ia0 s PHE 50 N -1.11 0.25 -0.08 2.43 0.08 0.32 -4.99 117.98 114.89 1ia0 s PHE 50 Ca 0.19 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.14 1ia0 s PHE 50 Cb -0.11 -0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.15 1ia0 s PHE 50 CO 0.11 -0.03 -0.10 0.45 -0.10 0.00 0.00 175.22 175.55 1ia0 s SER 51 N -0.28 4.33 0.34 1.36 0.15 -1.26 -0.48 113.70 117.86 1ia0 s SER 51 Ca -0.01 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.55 1ia0 s SER 51 Cb -0.02 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 1ia0 s SER 51 CO -0.00 0.31 0.21 -0.36 1.20 0.00 0.00 173.24 174.60 1ia0 s PHE 52 N -0.51 1.71 0.31 3.44 0.08 -0.42 -4.98 117.98 117.61 1ia0 s PHE 52 Ca 0.07 -1.51 0.03 0.00 0.12 0.00 0.00 56.93 55.64 1ia0 s PHE 52 Cb -0.12 -0.85 0.53 0.00 -0.57 0.00 0.00 43.02 42.01 1ia0 s PHE 52 CO 0.02 -0.66 1.82 -0.44 -0.10 0.00 0.00 175.22 175.86 1ia0 h ASP 53 N 2.07 0.51 -3.62 1.36 5.19 -1.40 -3.44 116.42 117.10 1ia0 h ASP 53 Ca -0.29 -0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 55.86 1ia0 h ASP 53 Cb 1.25 -0.14 -0.26 0.00 0.18 0.00 0.00 39.33 40.36 1ia0 h ASP 53 CO 0.45 0.63 -0.32 -0.31 -3.12 0.00 0.00 179.24 176.56 1ia0 s TYR 54 N -4.85 -0.44 -0.37 4.55 2.02 -1.15 -4.93 117.35 112.19 1ia0 s TYR 54 Ca -0.08 1.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.69 1ia0 s TYR 54 Cb 0.15 0.16 0.11 0.00 -0.40 0.00 0.00 41.96 41.97 1ia0 s TYR 54 CO 0.78 -0.24 0.09 -1.12 -1.57 0.00 0.00 175.55 173.49 1ia0 s SER 55 N 0.67 4.65 -0.31 2.29 0.01 -1.26 -2.03 113.70 117.72 1ia0 s SER 55 Ca -0.04 -2.30 -0.26 0.00 1.31 0.00 0.00 55.95 54.66 1ia0 s SER 55 Cb -0.05 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.59 1ia0 s SER 55 CO -0.04 -0.35 0.93 -0.31 0.41 0.00 0.00 173.24 173.87 1ia0 s TYR 56 N 0.70 3.18 -0.61 2.43 2.02 -0.08 -4.88 117.35 120.11 1ia0 s TYR 56 Ca 0.12 0.99 -0.21 0.00 -0.37 0.00 0.00 57.07 57.60 1ia0 s TYR 56 Cb -0.20 -3.45 0.08 0.00 -0.40 0.00 0.00 41.96 37.99 1ia0 s TYR 56 CO -0.07 -0.67 0.82 -0.46 -1.57 0.00 0.00 175.55 173.61 1ia0 s TRP 57 N 3.29 2.85 -0.25 2.71 -0.11 -1.26 -2.10 118.94 124.07 1ia0 s TRP 57 Ca 0.39 -0.65 0.13 0.00 1.22 0.00 0.00 56.10 57.18 1ia0 s TRP 57 Cb -0.13 -4.08 0.46 0.00 -1.50 0.00 0.00 33.47 28.22 1ia0 s TRP 57 CO 0.14 -1.42 1.18 0.43 -4.62 0.00 0.00 176.95 172.66 1ia0 n SER 58 N 6.99 3.39 0.12 5.86 7.64 -0.56 -1.01 113.62 136.06 1ia0 n SER 58 Ca -0.06 -3.27 0.03 0.00 1.01 0.00 0.00 58.87 56.58 1ia0 n SER 58 Cb 0.44 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1ia0 n SER 58 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ia0 h HIS 59 N 2.00 0.00 0.00 1.43 6.17 -1.72 -3.09 115.15 119.94 1ia0 h HIS 59 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.24 1ia0 h HIS 59 Cb 1.42 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.35 1ia0 h HIS 59 CO 0.71 0.45 0.00 0.25 0.71 0.00 0.00 177.93 180.05 1ia0 n THR 60 N -3.13 0.00 -3.62 6.26 -2.24 -1.26 -3.73 114.28 106.57 1ia0 n THR 60 Ca -0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1ia0 n THR 60 Cb 0.73 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 1ia0 n THR 60 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ia0 s SER 61 N -1.00 -0.32 0.65 3.42 1.04 -1.26 -4.78 113.70 111.45 1ia0 s SER 61 Ca 0.00 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.46 1ia0 s SER 61 Cb 0.00 0.47 0.42 0.00 0.10 0.00 0.00 66.02 67.01 1ia0 s SER 61 CO 0.00 -0.76 1.21 -0.65 0.98 0.00 0.00 173.24 174.02 1ia0 h PRO 62 N 2.67 0.00 0.00 4.02 0.11 -1.98 0.47 132.00 137.30 1ia0 h PRO 62 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ia0 h PRO 62 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ia0 h PRO 62 CO 0.44 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.62 1ia0 n GLU 63 N -2.69 0.10 -2.80 1.05 -0.58 -1.26 -4.69 120.64 109.76 1ia0 n GLU 63 Ca 0.03 0.28 -0.40 0.00 -0.42 0.00 0.00 57.16 56.64 1ia0 n GLU 63 Cb 0.95 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 1ia0 n GLU 63 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ia0 s ASP 64 N -3.60 7.53 0.37 1.62 -1.08 0.16 -4.95 116.67 116.72 1ia0 s ASP 64 Ca 0.07 1.81 0.10 0.00 -0.52 0.00 0.00 52.55 54.02 1ia0 s ASP 64 Cb 0.11 -2.57 0.70 0.00 -1.46 0.00 0.00 42.92 39.70 1ia0 s ASP 64 CO 0.38 0.09 1.84 0.40 0.52 0.00 0.00 175.17 178.40 1ia0 h ILE 65 N 3.51 1.24 -0.20 4.11 2.04 -1.87 -3.07 117.51 123.27 1ia0 h ILE 65 Ca -0.45 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1ia0 h ILE 65 Cb 1.20 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1ia0 h ILE 65 CO 0.69 0.33 0.00 0.59 0.00 0.00 0.00 178.15 179.76 1ia0 n ASN 66 N -4.16 1.55 -4.73 1.72 3.02 -1.26 -4.92 115.26 106.48 1ia0 n ASN 66 Ca -0.01 -1.77 -0.41 0.00 -0.03 0.00 0.00 54.58 52.35 1ia0 n ASN 66 Cb 0.36 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1ia0 n ASN 66 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ia0 s TYR 67 N -1.74 3.47 -0.48 3.10 6.14 -1.16 -4.65 117.35 122.01 1ia0 s TYR 67 Ca 0.29 1.40 -0.23 0.00 0.64 0.00 0.00 57.07 59.18 1ia0 s TYR 67 Cb 0.15 -3.40 0.03 0.00 0.42 0.00 0.00 41.96 39.17 1ia0 s TYR 67 CO 0.23 -1.12 0.78 0.00 0.64 0.00 0.00 175.55 176.08 1ia0 s ALA 68 N 0.40 3.28 0.73 3.97 0.00 -0.18 -4.98 121.76 124.97 1ia0 s ALA 68 Ca 0.55 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 1ia0 s ALA 68 Cb -0.31 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.37 1ia0 s ALA 68 CO 0.33 -2.03 1.08 -1.54 0.00 0.00 0.00 175.76 173.59 1ia0 s SER 69 N 2.36 4.91 0.28 0.00 1.04 -1.26 -4.69 113.70 116.34 1ia0 s SER 69 Ca 0.27 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.40 1ia0 s SER 69 Cb -0.13 -1.39 0.38 0.00 0.10 0.00 0.00 66.02 64.98 1ia0 s SER 69 CO 0.20 -1.60 1.93 1.56 0.98 0.00 0.00 173.24 176.31 1ia0 h GLN 70 N -0.73 1.18 -0.64 4.02 1.08 -1.89 -1.39 115.11 116.75 1ia0 h GLN 70 Ca -0.45 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 56.64 1ia0 h GLN 70 Cb 1.30 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 28.44 1ia0 h GLN 70 CO 0.63 0.78 0.23 -0.22 -0.95 0.00 0.00 178.83 179.31 1ia0 h LYS 71 N 1.22 0.95 -0.12 1.46 1.63 -1.87 -1.03 116.57 118.81 1ia0 h LYS 71 Ca 0.36 -0.17 -0.21 0.00 -0.85 0.00 0.00 60.65 59.79 1ia0 h LYS 71 Cb -0.05 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.43 1ia0 h LYS 71 CO -0.10 0.79 -0.74 0.37 -3.45 0.00 0.00 179.45 176.33 1ia0 h GLN 72 N 0.93 0.71 -0.95 1.90 5.75 -1.67 -0.22 115.11 121.56 1ia0 h GLN 72 Ca 0.21 -0.60 0.03 0.00 -0.15 0.00 0.00 58.65 58.14 1ia0 h GLN 72 Cb 0.21 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 1ia0 h GLN 72 CO -0.02 1.21 0.62 0.28 -2.65 0.00 0.00 178.83 178.28 1ia0 h VAL 73 N 0.40 1.17 -0.04 2.39 2.07 -1.14 -0.78 116.25 120.33 1ia0 h VAL 73 Ca -0.06 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 66.80 1ia0 h VAL 73 Cb 1.38 -0.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1ia0 h VAL 73 CO 0.15 0.22 -0.93 0.22 0.02 0.00 0.00 177.57 177.26 1ia0 h TYR 74 N 1.21 1.00 0.00 1.57 3.20 -1.14 -3.08 116.97 119.74 1ia0 h TYR 74 Ca 0.37 -0.52 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 1ia0 h TYR 74 Cb -0.02 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1ia0 h TYR 74 CO -0.01 1.35 -0.16 0.00 -1.64 0.00 0.00 178.16 177.71 1ia0 h ARG 75 N 0.37 0.00 0.00 1.82 3.08 -0.69 0.40 114.38 119.36 1ia0 h ARG 75 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1ia0 h ARG 75 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1ia0 h ARG 75 CO 0.18 0.16 0.00 -0.25 -1.07 0.00 0.00 179.97 178.99 1ia0 n ASP 76 N -3.58 0.00 0.05 7.04 8.00 -0.33 -4.37 116.55 123.35 1ia0 n ASP 76 Ca -0.01 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.61 1ia0 n ASP 76 Cb 0.29 -0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.90 1ia0 n ASP 76 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ia0 h ILE 77 N 0.00 1.10 -0.06 0.53 5.03 -1.63 -3.24 117.51 119.24 1ia0 h ILE 77 Ca 0.00 -2.49 0.00 0.00 -0.12 0.00 0.00 64.86 62.25 1ia0 h ILE 77 Cb 0.00 2.84 -0.00 0.00 -3.03 0.00 0.00 36.82 36.63 1ia0 h ILE 77 CO 0.00 0.77 0.04 1.23 -0.68 0.00 0.00 178.15 179.50 1ia0 h GLY 78 N 0.20 0.08 1.02 5.37 0.00 -1.18 -1.94 103.07 106.61 1ia0 h GLY 78 Ca -0.29 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ia0 h GLY 78 CO 0.13 0.03 0.59 -2.09 0.00 0.00 0.00 176.54 175.20 1ia0 h GLU 79 N 0.07 1.28 -0.52 4.80 4.81 -0.48 -1.71 114.58 122.82 1ia0 h GLU 79 Ca 0.02 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1ia0 h GLU 79 Cb 0.00 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1ia0 h GLU 79 CO -0.00 0.88 0.21 1.49 -0.73 0.00 0.00 179.01 180.85 1ia0 h GLU 80 N 1.30 0.78 -0.42 1.92 4.81 -1.53 -1.78 114.58 119.66 1ia0 h GLU 80 Ca 0.34 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1ia0 h GLU 80 Cb -0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1ia0 h GLU 80 CO -0.07 0.69 -0.19 0.52 -0.73 0.00 0.00 179.01 179.23 1ia0 h MET 81 N 0.70 0.82 -0.66 1.92 2.86 -1.01 -2.47 114.93 117.09 1ia0 h MET 81 Ca 0.17 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1ia0 h MET 81 Cb 0.20 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1ia0 h MET 81 CO -0.01 0.95 0.10 1.25 1.06 0.00 0.00 176.91 180.25 1ia0 h LEU 82 N 0.72 1.06 -1.15 1.22 5.85 -1.13 -0.55 115.31 121.34 1ia0 h LEU 82 Ca 0.11 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1ia0 h LEU 82 Cb 0.71 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1ia0 h LEU 82 CO 0.05 1.05 0.12 -0.61 -0.34 0.00 0.00 178.44 178.71 1ia0 h GLN 83 N 1.03 0.72 -0.36 1.25 5.75 -1.21 -1.50 115.11 120.79 1ia0 h GLN 83 Ca 0.20 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1ia0 h GLN 83 Cb 0.45 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1ia0 h GLN 83 CO 0.01 0.65 -0.21 0.45 -2.65 0.00 0.00 178.83 177.09 1ia0 h HIS 84 N 0.70 0.78 -0.81 3.99 3.86 -0.89 -1.91 115.15 120.86 1ia0 h HIS 84 Ca 0.16 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1ia0 h HIS 84 Cb 0.26 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1ia0 h HIS 84 CO 0.01 0.84 0.53 0.00 0.86 0.00 0.00 177.93 180.18 1ia0 h ALA 85 N 1.16 1.04 0.00 2.45 0.00 -0.17 -0.77 119.26 122.97 1ia0 h ALA 85 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ia0 h ALA 85 Cb 0.69 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ia0 h ALA 85 CO 0.05 0.40 -0.21 0.74 0.00 0.00 0.00 179.25 180.22 1ia0 h PHE 86 N 1.06 0.00 0.00 0.00 -1.00 -0.77 -0.49 116.94 115.73 1ia0 h PHE 86 Ca 0.31 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.09 1ia0 h PHE 86 Cb -0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.49 1ia0 h PHE 86 CO -0.02 0.21 0.00 0.39 -1.61 0.00 0.00 178.31 177.28 1ia0 n GLU 87 N -4.05 0.15 0.00 1.51 1.02 -0.42 -4.89 120.64 113.97 1ia0 n GLU 87 Ca -0.02 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1ia0 n GLU 87 Cb 0.29 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1ia0 n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ia0 n GLY 88 N 0.96 1.14 3.87 0.62 0.00 -0.19 -5.09 105.19 106.49 1ia0 n GLY 88 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1ia0 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ia0 s TYR 89 N -2.00 3.57 0.31 1.61 2.02 -0.46 -4.67 117.35 117.73 1ia0 s TYR 89 Ca 0.00 0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 57.19 1ia0 s TYR 89 Cb 0.00 -2.14 -0.09 0.00 -0.40 0.00 0.00 41.96 39.33 1ia0 s TYR 89 CO 0.00 0.51 1.00 -0.80 -1.57 0.00 0.00 175.55 174.69 1ia0 s ASN 90 N -1.83 7.25 0.09 2.29 0.01 -1.26 -3.88 114.94 117.61 1ia0 s ASN 90 Ca 0.34 2.01 0.02 0.00 -0.71 0.00 0.00 52.86 54.52 1ia0 s ASN 90 Cb -0.14 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1ia0 s ASN 90 CO 0.19 -0.14 -0.07 0.68 -1.51 0.00 0.00 177.10 176.25 1ia0 s VAL 91 N -1.43 0.69 -0.14 1.60 -7.23 -0.00 -1.13 120.40 112.76 1ia0 s VAL 91 Ca 0.49 -1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 58.76 1ia0 s VAL 91 Cb -0.24 -1.48 0.04 0.00 0.56 0.00 0.00 36.38 35.26 1ia0 s VAL 91 CO 0.30 -0.76 0.38 0.00 -0.31 0.00 0.00 175.10 174.71 1ia0 s ILE 93 N 0.18 0.48 0.02 0.00 1.01 -0.16 -0.67 121.20 122.07 1ia0 s ILE 93 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.69 1ia0 s ILE 93 Cb -0.03 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1ia0 s ILE 93 CO 0.01 0.25 -0.16 0.72 0.00 0.00 0.00 174.94 175.75 1ia0 s PHE 94 N 1.45 1.39 -0.18 3.97 -0.12 -0.67 -0.10 117.98 123.72 1ia0 s PHE 94 Ca -0.03 -0.33 -0.09 0.00 -0.05 0.00 0.00 56.93 56.44 1ia0 s PHE 94 Cb -0.13 -0.85 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 1ia0 s PHE 94 CO -0.03 0.03 0.11 0.00 -0.05 0.00 0.00 175.22 175.28 1ia0 s ALA 95 N -0.68 3.62 0.04 1.99 0.00 0.06 -1.13 121.76 125.66 1ia0 s ALA 95 Ca 0.04 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1ia0 s ALA 95 Cb -0.07 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1ia0 s ALA 95 CO 0.01 0.24 -0.10 -0.47 0.00 0.00 0.00 175.76 175.44 1ia0 s TYR 96 N 0.13 0.89 0.00 0.00 6.14 -0.17 -2.74 117.35 121.59 1ia0 s TYR 96 Ca 0.08 -0.37 0.00 0.00 0.64 0.00 0.00 57.07 57.42 1ia0 s TYR 96 Cb -0.12 -0.53 0.00 0.00 0.42 0.00 0.00 41.96 41.73 1ia0 s TYR 96 CO -0.00 -0.01 0.00 0.41 0.64 0.00 0.00 175.55 176.58 1ia0 n GLY 97 N 1.88 2.35 3.71 8.97 0.00 -1.26 -0.16 105.19 120.68 1ia0 n GLY 97 Ca -0.19 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1ia0 n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ia0 s GLN 98 N -2.01 2.04 0.12 1.61 0.74 -1.26 -1.52 119.66 119.38 1ia0 s GLN 98 Ca 0.00 1.87 -0.35 0.00 0.05 0.00 0.00 55.36 56.93 1ia0 s GLN 98 Cb 0.00 -1.81 -0.15 0.00 1.10 0.00 0.00 33.01 32.15 1ia0 s GLN 98 CO 0.00 -1.94 1.51 2.41 -0.55 0.00 0.00 175.29 176.73 1ia0 n THR 99 N -2.71 0.03 -1.00 -0.34 -1.04 0.24 -1.19 114.28 108.27 1ia0 n THR 99 Ca 0.14 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1ia0 n THR 99 Cb 0.50 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1ia0 n THR 99 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ia0 n GLY 100 N 3.17 0.74 0.24 3.41 0.00 -1.26 -4.91 105.19 106.58 1ia0 n GLY 100 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1ia0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia0 h ALA 101 N 0.00 1.00 0.00 4.61 0.00 -1.48 -3.47 119.26 119.91 1ia0 h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ia0 h ALA 101 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ia0 h ALA 101 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1ia0 n GLY 102 N 0.67 1.78 0.08 0.00 0.00 -1.26 -4.05 105.19 102.41 1ia0 n GLY 102 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ia0 n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ia0 h LYS 103 N 0.00 -0.07 -0.55 1.61 1.57 -1.90 -2.79 116.57 114.45 1ia0 h LYS 103 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1ia0 h LYS 103 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ia0 h LYS 103 CO 0.00 0.36 -0.03 0.77 -0.57 0.00 0.00 179.45 179.98 1ia0 h SER 104 N -0.51 0.94 -0.50 0.86 0.02 -1.97 -1.58 113.55 110.81 1ia0 h SER 104 Ca -0.01 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1ia0 h SER 104 Cb 0.45 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1ia0 h SER 104 CO 0.01 1.01 0.31 0.22 -1.14 0.00 0.00 176.83 177.24 1ia0 h TYR 105 N 0.88 0.58 -0.42 3.45 3.20 -1.87 0.82 116.97 123.61 1ia0 h TYR 105 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1ia0 h TYR 105 Cb 0.55 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1ia0 h TYR 105 CO 0.04 0.34 0.07 1.15 -1.64 0.00 0.00 178.16 178.11 1ia0 h THR 106 N 0.62 1.24 0.23 1.81 2.02 -1.29 -0.24 112.91 117.29 1ia0 h THR 106 Ca 0.20 -0.88 -0.33 0.00 0.77 0.00 0.00 66.41 66.16 1ia0 h THR 106 Cb -0.01 1.01 0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1ia0 h THR 106 CO -0.08 0.30 -1.54 0.24 0.37 0.00 0.00 175.52 174.82 1ia0 h MET 107 N 0.55 0.48 0.00 6.66 2.86 -1.06 -1.26 114.93 123.15 1ia0 h MET 107 Ca 0.13 -0.81 -0.24 0.00 -2.06 0.00 0.00 59.70 56.71 1ia0 h MET 107 Cb 0.38 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1ia0 h MET 107 CO 0.01 1.39 -1.83 -0.12 1.06 0.00 0.00 176.91 177.42 1ia0 n MET 108 N -3.71 0.33 0.00 1.72 0.00 0.27 -0.93 117.12 114.81 1ia0 n MET 108 Ca -0.20 0.12 0.00 0.00 -0.00 0.00 0.00 57.70 57.62 1ia0 n MET 108 Cb 1.08 -1.13 0.00 0.00 0.00 0.00 0.00 33.22 33.16 1ia0 n MET 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ia0 n GLY 109 N 2.36 0.08 3.48 -5.12 0.00 -0.10 -0.02 105.19 105.87 1ia0 n GLY 109 Ca -0.28 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1ia0 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ia0 s LYS 110 N 0.00 1.70 -0.93 1.61 1.02 0.12 -4.77 119.74 118.48 1ia0 s LYS 110 Ca 0.00 -1.93 -0.00 0.00 0.02 0.00 0.00 55.97 54.05 1ia0 s LYS 110 Cb 0.00 -1.07 0.30 0.00 -0.52 0.00 0.00 37.83 36.54 1ia0 s LYS 110 CO 0.00 -0.12 1.35 0.94 -0.92 0.00 0.00 175.35 176.60 1ia0 n GLN 111 N -0.73 4.16 -3.62 1.68 7.27 -1.26 -2.28 117.38 122.60 1ia0 n GLN 111 Ca -0.03 -4.64 -0.06 0.00 0.07 0.00 0.00 57.00 52.34 1ia0 n GLN 111 Cb 0.66 -2.42 0.02 0.00 2.41 0.00 0.00 30.24 30.91 1ia0 n GLN 111 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1ia0 n GLU 112 N 0.77 0.89 -2.06 3.69 0.28 -1.26 -5.03 120.64 117.92 1ia0 n GLU 112 Ca 0.32 -1.82 -0.01 0.00 -0.16 0.00 0.00 57.16 55.49 1ia0 n GLU 112 Cb 0.34 2.32 -0.00 0.00 1.43 0.00 0.00 31.44 35.53 1ia0 n GLU 112 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ia0 n LYS 113 N -0.56 -2.42 -3.76 3.44 5.02 -1.26 -0.32 118.16 118.29 1ia0 n LYS 113 Ca -0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.95 1ia0 n LYS 113 Cb 0.55 -3.36 0.03 0.00 -0.02 0.00 0.00 35.03 32.23 1ia0 n LYS 113 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ia0 n ASP 114 N -1.14 -5.08 -0.84 4.39 -0.08 -1.26 -4.85 116.55 107.70 1ia0 n ASP 114 Ca 0.00 -0.67 0.07 0.00 -1.51 0.00 0.00 54.79 52.68 1ia0 n ASP 114 Cb 0.37 -4.05 0.20 0.00 2.34 0.00 0.00 41.12 39.98 1ia0 n ASP 114 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ia0 n GLN 115 N -4.60 2.93 -2.41 -0.67 -0.06 0.56 -4.74 117.38 108.39 1ia0 n GLN 115 Ca 0.02 -2.29 -0.41 0.00 -2.00 0.00 0.00 57.00 52.32 1ia0 n GLN 115 Cb 0.54 -1.43 -0.04 0.00 -4.06 0.00 0.00 30.24 25.25 1ia0 n GLN 115 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1ia0 s GLN 116 N -1.29 4.54 0.00 3.69 1.11 -0.97 0.11 119.66 126.86 1ia0 s GLN 116 Ca 0.31 1.86 0.00 0.00 0.01 0.00 0.00 55.36 57.54 1ia0 s GLN 116 Cb 0.18 -3.22 0.00 0.00 -1.01 0.00 0.00 33.01 28.96 1ia0 s GLN 116 CO 0.18 0.02 0.00 0.41 0.01 0.00 0.00 175.29 175.91 1ia0 n GLY 117 N 1.78 -0.63 0.16 3.09 0.00 0.98 -4.77 105.19 105.79 1ia0 n GLY 117 Ca 0.02 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 1ia0 n GLY 117 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ia0 h ILE 118 N -0.30 0.95 0.12 -0.61 2.04 -0.96 -2.34 117.51 116.40 1ia0 h ILE 118 Ca 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1ia0 h ILE 118 Cb 0.00 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ia0 h ILE 118 CO 0.00 0.06 -0.06 0.40 0.00 0.00 0.00 178.15 178.56 1ia0 h ILE 119 N 0.35 0.94 -0.58 -0.67 2.04 -1.31 0.13 117.51 118.40 1ia0 h ILE 119 Ca 0.16 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1ia0 h ILE 119 Cb 0.10 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1ia0 h ILE 119 CO -0.14 0.05 0.30 -0.65 0.00 0.00 0.00 178.15 177.71 1ia0 h PRO 120 N -0.24 0.83 -0.78 2.37 0.11 -1.75 -1.69 132.00 130.86 1ia0 h PRO 120 Ca -0.02 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1ia0 h PRO 120 Cb 0.19 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1ia0 h PRO 120 CO 0.03 0.66 0.30 1.96 -0.21 0.00 0.00 178.00 180.74 1ia0 h GLN 121 N 0.79 1.16 -0.43 1.05 4.20 -1.34 -1.51 115.11 119.04 1ia0 h GLN 121 Ca 0.20 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1ia0 h GLN 121 Cb 0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1ia0 h GLN 121 CO -0.03 0.95 -0.06 1.25 -0.67 0.00 0.00 178.83 180.27 1ia0 h LEU 122 N 1.13 0.80 -0.47 1.46 6.46 -0.78 -0.05 115.31 123.85 1ia0 h LEU 122 Ca 0.26 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1ia0 h LEU 122 Cb 0.22 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1ia0 h LEU 122 CO -0.02 0.95 0.26 0.00 -0.62 0.00 0.00 178.44 179.01 1ia0 h GLU 124 N 0.62 0.19 -1.01 0.00 4.81 -1.17 -1.96 114.58 116.06 1ia0 h GLU 124 Ca 0.17 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1ia0 h GLU 124 Cb 0.04 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1ia0 h GLU 124 CO -0.03 0.22 0.66 0.22 -0.73 0.00 0.00 179.01 179.35 1ia0 h ASP 125 N 0.11 1.09 -0.11 1.04 1.82 -0.78 -0.90 116.42 118.68 1ia0 h ASP 125 Ca 0.05 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1ia0 h ASP 125 Cb 0.09 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1ia0 h ASP 125 CO -0.01 0.73 0.06 0.25 -1.61 0.00 0.00 179.24 178.66 1ia0 h LEU 126 N 1.25 0.14 -0.87 2.28 5.85 -0.40 -1.34 115.31 122.22 1ia0 h LEU 126 Ca 0.41 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 1ia0 h LEU 126 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ia0 h LEU 126 CO -0.14 0.20 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.37 1ia0 h PHE 127 N 0.07 0.12 -0.30 1.25 0.04 -1.08 -2.08 116.94 114.96 1ia0 h PHE 127 Ca 0.04 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1ia0 h PHE 127 Cb 0.09 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1ia0 h PHE 127 CO -0.04 0.61 0.09 0.77 -0.60 0.00 0.00 178.31 179.14 1ia0 h SER 128 N 0.08 0.44 -0.62 2.17 0.02 -0.97 -0.52 113.55 114.15 1ia0 h SER 128 Ca -0.00 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 1ia0 h SER 128 Cb 0.96 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1ia0 h SER 128 CO 0.07 0.53 0.15 0.03 -1.14 0.00 0.00 176.83 176.47 1ia0 h ARG 129 N 0.32 1.02 -0.42 3.45 3.08 -1.14 -1.80 114.38 118.90 1ia0 h ARG 129 Ca 0.10 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1ia0 h ARG 129 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ia0 h ARG 129 CO -0.00 0.91 0.03 0.82 -1.07 0.00 0.00 179.97 180.66 1ia0 h ILE 130 N 0.97 1.25 0.00 2.04 2.04 -1.16 -2.76 117.51 119.89 1ia0 h ILE 130 Ca 0.21 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1ia0 h ILE 130 Cb 0.35 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1ia0 h ILE 130 CO 0.00 0.33 0.00 0.59 0.00 0.00 0.00 178.15 179.07 1ia0 n ASN 131 N -4.46 0.00 -0.33 1.72 3.02 -0.22 -2.46 115.26 112.53 1ia0 n ASN 131 Ca -0.00 0.35 0.13 0.00 -0.03 0.00 0.00 54.58 55.03 1ia0 n ASN 131 Cb 0.27 -0.44 0.35 0.00 -0.61 0.00 0.00 39.78 39.34 1ia0 n ASN 131 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ia0 n ASP 132 N -1.44 1.27 -4.74 6.41 8.00 -0.69 -4.93 116.55 120.42 1ia0 n ASP 132 Ca 0.07 -1.08 -0.41 0.00 0.71 0.00 0.00 54.79 54.08 1ia0 n ASP 132 Cb 0.25 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1ia0 n ASP 132 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ia0 n THR 133 N -0.40 2.25 -0.15 -3.53 -1.04 -1.03 -4.92 114.28 105.45 1ia0 n THR 133 Ca 0.13 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1ia0 n THR 133 Cb 0.37 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1ia0 n THR 133 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ia0 n THR 134 N 0.18 0.00 -3.05 12.58 -2.24 -1.26 -4.96 114.28 115.52 1ia0 n THR 134 Ca 0.04 -0.30 -0.44 0.00 -2.27 0.00 0.00 64.05 61.08 1ia0 n THR 134 Cb 0.39 1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1ia0 n THR 134 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ia0 s ASN 135 N -0.37 6.20 0.00 3.42 2.47 -1.26 -4.91 114.94 120.49 1ia0 s ASN 135 Ca 0.00 -1.15 0.00 0.00 0.42 0.00 0.00 52.86 52.13 1ia0 s ASN 135 Cb 0.00 -2.33 0.01 0.00 -1.45 0.00 0.00 41.25 37.48 1ia0 s ASN 135 CO 0.00 -1.14 0.84 0.47 -3.72 0.00 0.00 177.10 173.55 1ia0 n ASP 136 N 6.66 0.00 -0.01 -4.21 10.43 -1.26 -1.06 116.55 127.10 1ia0 n ASP 136 Ca -0.07 0.33 0.14 0.00 2.57 0.00 0.00 54.79 57.76 1ia0 n ASP 136 Cb 0.44 -0.33 0.65 0.00 1.84 0.00 0.00 41.12 43.72 1ia0 n ASP 136 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1ia0 n ASN 137 N -1.33 0.06 -4.55 -2.24 3.02 -1.26 -4.75 115.26 104.20 1ia0 n ASN 137 Ca 0.00 0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.39 1ia0 n ASN 137 Cb 0.00 -0.36 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1ia0 n ASN 137 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ia0 s MET 138 N -2.82 3.48 0.07 3.52 -1.94 -0.22 0.13 119.30 121.50 1ia0 s MET 138 Ca 0.20 -0.49 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 1ia0 s MET 138 Cb 0.19 -2.88 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 1ia0 s MET 138 CO 0.51 0.37 -0.09 -1.54 -0.01 0.00 0.00 175.02 174.27 1ia0 s SER 139 N 0.01 1.10 0.18 3.03 1.04 -0.36 -4.94 113.70 113.76 1ia0 s SER 139 Ca 0.01 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.81 1ia0 s SER 139 Cb -0.13 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 1ia0 s SER 139 CO 0.02 -0.25 -0.11 -0.31 0.98 0.00 0.00 173.24 173.57 1ia0 s TYR 140 N -1.98 1.49 -0.04 5.02 2.02 -1.26 -1.18 117.35 121.41 1ia0 s TYR 140 Ca -0.02 -0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1ia0 s TYR 140 Cb -0.06 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1ia0 s TYR 140 CO -0.00 0.19 0.10 0.45 -1.57 0.00 0.00 175.55 174.71 1ia0 s SER 141 N -3.25 -0.06 -0.10 2.29 0.15 -0.64 -5.02 113.70 107.08 1ia0 s SER 141 Ca 0.20 0.19 0.01 0.00 0.70 0.00 0.00 55.95 57.05 1ia0 s SER 141 Cb 0.01 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1ia0 s SER 141 CO 0.04 -0.10 -0.10 -0.69 1.20 0.00 0.00 173.24 173.58 1ia0 s VAL 142 N 0.76 1.15 0.02 4.45 1.01 -1.26 -1.07 120.40 125.46 1ia0 s VAL 142 Ca -0.06 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1ia0 s VAL 142 Cb -0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1ia0 s VAL 142 CO -0.03 0.38 -0.23 -1.61 0.00 0.00 0.00 175.10 173.61 1ia0 s GLU 143 N 1.29 1.68 0.11 2.72 2.02 -0.78 -1.33 118.70 124.40 1ia0 s GLU 143 Ca -0.02 -0.93 0.07 0.00 0.02 0.00 0.00 54.97 54.10 1ia0 s GLU 143 Cb -0.14 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1ia0 s GLU 143 CO -0.04 0.46 -0.17 0.54 0.02 0.00 0.00 175.26 176.07 1ia0 s VAL 144 N -0.69 1.43 -0.01 2.63 0.11 0.30 -0.17 120.40 124.00 1ia0 s VAL 144 Ca 0.09 -1.57 -0.07 0.00 -2.93 0.00 0.00 61.98 57.51 1ia0 s VAL 144 Cb -0.09 -1.44 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1ia0 s VAL 144 CO 0.01 -0.25 0.14 -0.44 -3.33 0.00 0.00 175.10 171.23 1ia0 s SER 145 N -2.11 -0.00 -0.11 3.54 0.01 -0.32 -0.96 113.70 113.75 1ia0 s SER 145 Ca 0.06 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 1ia0 s SER 145 Cb -0.08 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.43 1ia0 s SER 145 CO 0.04 -0.31 0.22 -0.47 0.41 0.00 0.00 173.24 173.12 1ia0 s TYR 146 N -1.13 -0.32 0.14 2.43 5.04 -1.26 -0.95 117.35 121.30 1ia0 s TYR 146 Ca -0.12 0.80 0.03 0.00 -2.44 0.00 0.00 57.07 55.33 1ia0 s TYR 146 Cb -0.07 -0.08 -0.04 0.00 0.35 0.00 0.00 41.96 42.12 1ia0 s TYR 146 CO 0.01 -0.29 -0.05 0.00 -1.34 0.00 0.00 175.55 173.88 1ia0 s MET 147 N 2.01 1.01 0.03 4.97 0.23 -0.67 -0.97 119.30 125.91 1ia0 s MET 147 Ca -0.02 -1.45 0.08 0.00 -1.03 0.00 0.00 55.69 53.28 1ia0 s MET 147 Cb -0.12 -0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 32.79 1ia0 s MET 147 CO -0.08 -0.03 -0.23 -2.00 -2.03 0.00 0.00 175.02 170.66 1ia0 s GLU 148 N -3.83 1.61 -0.21 3.16 2.12 -0.38 -0.89 118.70 120.26 1ia0 s GLU 148 Ca 0.18 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.57 1ia0 s GLU 148 Cb 0.05 -1.70 0.04 0.00 0.26 0.00 0.00 34.13 32.78 1ia0 s GLU 148 CO 0.00 0.44 -0.14 0.42 -0.54 0.00 0.00 175.26 175.45 1ia0 s ILE 149 N -0.73 1.95 -0.11 -3.70 1.01 0.24 -0.99 121.20 118.87 1ia0 s ILE 149 Ca 0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 1ia0 s ILE 149 Cb -0.09 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.46 1ia0 s ILE 149 CO 0.01 0.22 -0.02 -0.47 0.00 0.00 0.00 174.94 174.68 1ia0 s TYR 150 N 1.26 1.06 -1.40 3.97 5.04 0.04 0.16 117.35 127.48 1ia0 s TYR 150 Ca -0.02 -0.50 -0.05 0.00 -2.44 0.00 0.00 57.07 54.06 1ia0 s TYR 150 Cb -0.16 -1.01 0.03 0.00 0.35 0.00 0.00 41.96 41.17 1ia0 s TYR 150 CO -0.09 -0.44 0.80 0.00 -1.34 0.00 0.00 175.55 174.49 1ia0 n GLU 152 N -4.45 0.00 -3.22 0.00 -0.58 -1.26 -4.23 120.64 106.91 1ia0 n GLU 152 Ca -0.17 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.19 1ia0 n GLU 152 Cb 0.62 -3.16 -0.06 0.00 -0.57 0.00 0.00 31.44 28.28 1ia0 n GLU 152 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ia0 s ARG 153 N -0.26 4.33 -0.21 3.49 0.52 0.05 -4.89 118.95 121.98 1ia0 s ARG 153 Ca 0.00 0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 55.79 1ia0 s ARG 153 Cb 0.00 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1ia0 s ARG 153 CO 0.00 0.25 0.09 0.08 0.02 0.00 0.00 175.30 175.74 1ia0 s VAL 154 N 0.25 4.89 -0.03 3.52 1.01 -1.26 -0.78 120.40 128.00 1ia0 s VAL 154 Ca 0.31 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1ia0 s VAL 154 Cb -0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ia0 s VAL 154 CO 0.15 0.40 -0.24 -0.13 0.00 0.00 0.00 175.10 175.28 1ia0 s ARG 155 N 0.78 2.13 -0.46 2.72 0.52 -0.17 -2.02 118.95 122.46 1ia0 s ARG 155 Ca 0.05 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.10 1ia0 s ARG 155 Cb -0.13 -1.98 0.03 0.00 0.52 0.00 0.00 34.95 33.39 1ia0 s ARG 155 CO 0.02 0.48 1.09 0.34 0.02 0.00 0.00 175.30 177.25 1ia0 s ASP 156 N -0.45 6.62 0.06 0.23 3.68 -1.26 -1.25 116.67 124.29 1ia0 s ASP 156 Ca 0.06 0.43 0.24 0.00 2.13 0.00 0.00 52.55 55.40 1ia0 s ASP 156 Cb -0.11 -2.53 0.97 0.00 -1.45 0.00 0.00 42.92 39.80 1ia0 s ASP 156 CO 0.00 -1.18 1.75 0.18 0.13 0.00 0.00 175.17 176.05 1ia0 n LEU 157 N 7.63 0.19 -0.92 -1.34 4.77 -0.14 -2.51 117.00 124.68 1ia0 n LEU 157 Ca 0.11 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1ia0 n LEU 157 Cb 0.49 -0.48 0.22 0.00 -2.33 0.00 0.00 43.42 41.32 1ia0 n LEU 157 CO 0.69 -0.16 0.70 0.18 -1.33 0.00 0.00 177.39 177.47 1ia0 n LEU 158 N -1.69 2.82 -2.92 2.23 4.77 -1.25 -4.14 117.00 116.82 1ia0 n LEU 158 Ca 0.05 -1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 54.85 1ia0 n LEU 158 Cb 0.29 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1ia0 n LEU 158 CO 0.23 0.53 0.10 -3.20 -1.33 0.00 0.00 177.39 173.71 1ia0 n ASN 159 N 1.14 -1.09 0.00 -1.43 4.05 -1.04 -4.93 115.26 111.95 1ia0 n ASN 159 Ca 0.17 -3.40 0.02 0.00 0.45 0.00 0.00 54.58 51.82 1ia0 n ASN 159 Cb 0.54 0.89 0.13 0.00 1.23 0.00 0.00 39.78 42.58 1ia0 n ASN 159 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1ia0 n PRO 160 N 0.41 0.39 -0.15 1.20 -0.04 -1.17 -2.22 135.00 133.42 1ia0 n PRO 160 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1ia0 n PRO 160 Cb 0.68 -1.17 0.21 0.00 -0.04 0.00 0.00 33.50 33.17 1ia0 n PRO 160 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ia0 n LYS 161 N -0.67 1.77 -3.79 0.54 2.85 -1.26 -4.75 118.16 112.85 1ia0 n LYS 161 Ca 0.03 -1.20 -0.15 0.00 -1.05 0.00 0.00 58.31 55.95 1ia0 n LYS 161 Cb 0.01 -1.30 -0.16 0.00 -0.65 0.00 0.00 35.03 32.94 1ia0 n LYS 161 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1ia0 s ASN 162 N -1.13 0.06 0.00 -5.58 2.47 -0.94 -5.05 114.94 104.77 1ia0 s ASN 162 Ca 0.25 0.03 0.25 0.00 0.42 0.00 0.00 52.86 53.82 1ia0 s ASN 162 Cb 0.13 -0.06 0.47 0.00 -1.45 0.00 0.00 41.25 40.34 1ia0 s ASN 162 CO 0.18 -0.11 1.40 0.29 -3.72 0.00 0.00 177.10 175.14 1ia0 n LYS 163 N 4.02 1.39 -1.71 0.43 4.76 -1.26 -4.84 118.16 120.96 1ia0 n LYS 163 Ca -0.26 -1.01 -0.41 0.00 -2.87 0.00 0.00 58.31 53.77 1ia0 n LYS 163 Cb 0.51 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1ia0 n LYS 163 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ia0 n GLY 164 N 1.34 0.60 3.39 0.72 0.00 -1.26 -4.87 105.19 105.10 1ia0 n GLY 164 Ca 0.13 0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.93 1ia0 n GLY 164 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ia0 s ASN 165 N -0.47 6.19 0.29 1.61 0.01 -1.26 -4.79 114.94 116.52 1ia0 s ASN 165 Ca 0.59 -1.28 -0.29 0.00 -0.71 0.00 0.00 52.86 51.17 1ia0 s ASN 165 Cb -0.52 -2.25 -0.13 0.00 0.41 0.00 0.00 41.25 38.76 1ia0 s ASN 165 CO 0.59 -0.87 1.19 0.18 -1.51 0.00 0.00 177.10 176.68 1ia0 n LEU 166 N 5.81 2.63 -4.70 0.60 4.77 -0.85 -4.86 117.00 120.40 1ia0 n LEU 166 Ca -0.10 1.18 -0.39 0.00 -0.03 0.00 0.00 56.01 56.67 1ia0 n LEU 166 Cb 0.43 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.09 1ia0 n LEU 166 CO 0.53 -0.91 0.35 -0.60 -1.33 0.00 0.00 177.39 175.44 1ia0 s ARG 167 N -1.38 4.35 -0.10 3.23 3.52 -1.26 -4.22 118.95 123.09 1ia0 s ARG 167 Ca 0.60 0.72 -0.24 0.00 -0.13 0.00 0.00 55.73 56.68 1ia0 s ARG 167 Cb -0.66 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.22 1ia0 s ARG 167 CO 0.58 -0.02 0.74 0.08 -0.81 0.00 0.00 175.30 175.88 1ia0 s VAL 168 N 1.13 5.00 0.37 7.11 1.01 -1.26 -0.78 120.40 132.98 1ia0 s VAL 168 Ca 0.33 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1ia0 s VAL 168 Cb -0.17 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1ia0 s VAL 168 CO 0.14 0.18 0.05 -0.13 0.00 0.00 0.00 175.10 175.34 1ia0 s ARG 169 N 1.24 1.81 -0.25 2.72 0.52 0.13 -4.96 118.95 120.17 1ia0 s ARG 169 Ca 0.38 -2.04 0.02 0.00 -0.52 0.00 0.00 55.73 53.56 1ia0 s ARG 169 Cb -0.17 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 34.24 1ia0 s ARG 169 CO 0.17 -0.20 -0.12 -2.00 0.02 0.00 0.00 175.30 173.17 1ia0 s GLU 170 N -3.82 2.45 0.30 3.54 2.56 -1.26 -1.33 118.70 121.13 1ia0 s GLU 170 Ca 0.32 -1.21 -0.29 0.00 0.00 0.00 0.00 54.97 53.79 1ia0 s GLU 170 Cb 0.08 -2.85 -0.10 0.00 2.00 0.00 0.00 34.13 33.25 1ia0 s GLU 170 CO 0.15 -0.49 1.28 -1.58 -0.56 0.00 0.00 175.26 174.06 1ia0 s HIS 171 N 1.17 3.17 0.57 5.30 5.65 0.12 -4.89 115.29 126.37 1ia0 s HIS 171 Ca -0.05 1.41 0.27 0.00 0.25 0.00 0.00 55.06 56.94 1ia0 s HIS 171 Cb -0.18 -3.61 1.51 0.00 -1.18 0.00 0.00 32.58 29.12 1ia0 s HIS 171 CO -0.06 -1.69 2.02 -1.00 -0.65 0.00 0.00 174.74 173.35 1ia0 h PRO 172 N 3.87 0.00 0.00 2.88 0.13 -1.99 -3.18 132.00 133.72 1ia0 h PRO 172 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ia0 h PRO 172 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ia0 h PRO 172 CO 0.68 0.00 -0.86 1.28 -0.23 0.00 0.00 178.00 178.87 1ia0 n LEU 173 N -4.00 1.27 -1.04 1.56 4.77 -1.26 -4.87 117.00 113.43 1ia0 n LEU 173 Ca 0.06 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1ia0 n LEU 173 Cb 0.50 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.85 1ia0 n LEU 173 CO 0.31 0.21 0.73 0.18 -1.33 0.00 0.00 177.39 177.49 1ia0 n LEU 174 N -2.07 3.04 0.00 2.23 4.77 -1.24 -5.08 117.00 118.65 1ia0 n LEU 174 Ca 0.00 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1ia0 n LEU 174 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ia0 n LEU 174 CO 0.00 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1ia0 n GLY 175 N 1.42 -2.37 3.77 -0.72 0.00 -1.20 -4.87 105.19 101.23 1ia0 n GLY 175 Ca 0.19 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1ia0 n GLY 175 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ia0 s PRO 176 N -0.31 3.86 0.14 1.61 0.04 -1.26 0.13 135.00 139.21 1ia0 s PRO 176 Ca 0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1ia0 s PRO 176 Cb 0.00 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 32.17 1ia0 s PRO 176 CO 0.00 -0.44 0.51 1.52 0.04 0.00 0.00 177.00 178.62 1ia0 s TYR 177 N -1.60 -0.38 -0.32 0.56 1.13 -0.45 -4.89 117.35 111.40 1ia0 s TYR 177 Ca 0.62 0.13 -0.15 0.00 -1.41 0.00 0.00 57.07 56.27 1ia0 s TYR 177 Cb -0.26 0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1ia0 s TYR 177 CO 0.32 -0.78 0.34 0.08 -2.51 0.00 0.00 175.55 173.00 1ia0 s VAL 178 N -3.73 5.19 0.15 -3.49 1.01 -1.26 -0.69 120.40 117.58 1ia0 s VAL 178 Ca 0.02 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1ia0 s VAL 178 Cb 0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1ia0 s VAL 178 CO -0.12 -0.00 1.59 -0.70 0.00 0.00 0.00 175.10 175.86 1ia0 s GLU 179 N 1.99 4.21 -1.15 2.72 2.12 0.04 -2.70 118.70 125.93 1ia0 s GLU 179 Ca 0.12 2.36 0.00 0.00 0.36 0.00 0.00 54.97 57.81 1ia0 s GLU 179 Cb -0.16 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1ia0 s GLU 179 CO 0.11 -0.63 0.00 -0.25 -0.54 0.00 0.00 175.26 173.95 1ia0 n ASP 180 N 4.22 -5.06 -4.72 -1.70 8.00 -1.26 -4.40 116.55 111.63 1ia0 n ASP 180 Ca 0.14 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 1ia0 n ASP 180 Cb 0.39 -3.51 -0.03 0.00 -0.02 0.00 0.00 41.12 37.94 1ia0 n ASP 180 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ia0 s LEU 181 N -2.47 4.38 0.36 0.64 2.96 -1.10 -4.95 118.68 118.50 1ia0 s LEU 181 Ca 0.00 2.32 -0.28 0.00 -0.22 0.00 0.00 54.13 55.96 1ia0 s LEU 181 Cb 0.00 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.00 1ia0 s LEU 181 CO 0.00 -0.60 1.27 -0.94 -1.32 0.00 0.00 176.35 174.76 1ia0 s SER 182 N 0.86 6.67 -0.24 3.68 1.04 -1.26 -5.01 113.70 119.43 1ia0 s SER 182 Ca 0.62 2.59 -0.01 0.00 0.48 0.00 0.00 55.95 59.63 1ia0 s SER 182 Cb -0.36 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.19 1ia0 s SER 182 CO 0.33 -0.60 0.02 -0.75 0.98 0.00 0.00 173.24 173.22 1ia0 s LYS 183 N -1.95 1.08 -0.15 4.02 2.20 -1.26 -4.48 119.74 119.20 1ia0 s LYS 183 Ca 0.52 -0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1ia0 s LYS 183 Cb -0.37 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 1ia0 s LYS 183 CO 0.49 -0.72 0.06 -0.51 -0.36 0.00 0.00 175.35 174.30 1ia0 s LEU 184 N 1.58 3.82 0.13 5.43 1.43 -0.14 -4.84 118.68 126.09 1ia0 s LEU 184 Ca 0.00 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1ia0 s LEU 184 Cb -0.18 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 1ia0 s LEU 184 CO -0.11 0.25 1.09 0.00 0.23 0.00 0.00 176.35 177.81 1ia0 s ALA 185 N -0.09 3.34 -0.02 4.21 0.00 -1.26 -0.54 121.76 127.40 1ia0 s ALA 185 Ca 0.06 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1ia0 s ALA 185 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1ia0 s ALA 185 CO 0.01 -0.24 -0.09 0.14 0.00 0.00 0.00 175.76 175.58 1ia0 s VAL 186 N 0.20 0.77 -0.37 0.00 -7.23 -0.44 -4.96 120.40 108.38 1ia0 s VAL 186 Ca 0.51 -0.36 0.08 0.00 -1.81 0.00 0.00 61.98 60.40 1ia0 s VAL 186 Cb -0.28 -0.69 0.19 0.00 0.56 0.00 0.00 36.38 36.17 1ia0 s VAL 186 CO 0.32 0.24 1.15 0.35 -0.31 0.00 0.00 175.10 176.85 1ia0 n THR 187 N 3.25 1.22 -3.51 5.32 -2.24 -1.26 -4.28 114.28 112.78 1ia0 n THR 187 Ca -0.18 -1.23 -0.12 0.00 -2.27 0.00 0.00 64.05 60.26 1ia0 n THR 187 Cb 0.55 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1ia0 n THR 187 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ia0 s SER 188 N -1.30 -0.46 0.20 3.42 1.04 -1.26 -5.04 113.70 110.30 1ia0 s SER 188 Ca 0.16 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 1ia0 s SER 188 Cb 0.11 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.90 1ia0 s SER 188 CO 0.07 -0.87 1.63 0.22 0.98 0.00 0.00 173.24 175.27 1ia0 h TYR 189 N 2.31 1.02 -0.67 5.02 3.20 -1.95 -2.50 116.97 123.40 1ia0 h TYR 189 Ca -0.33 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 61.39 1ia0 h TYR 189 Cb 1.27 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 1ia0 h TYR 189 CO 0.29 0.98 0.38 -0.91 -1.64 0.00 0.00 178.16 177.26 1ia0 h ASN 190 N 0.81 0.58 -0.52 -2.11 2.35 -1.98 0.13 115.58 114.83 1ia0 h ASN 190 Ca 0.13 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1ia0 h ASN 190 Cb 0.67 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1ia0 h ASN 190 CO 0.05 0.38 0.08 0.44 -1.65 0.00 0.00 177.43 176.72 1ia0 h ASP 191 N 0.71 0.84 -0.41 5.81 3.32 -1.93 -1.34 116.42 123.42 1ia0 h ASP 191 Ca 0.29 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1ia0 h ASP 191 Cb 0.16 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1ia0 h ASP 191 CO -0.17 0.89 -0.11 -0.29 -1.72 0.00 0.00 179.24 177.84 1ia0 h ILE 192 N 0.75 1.26 -0.75 0.35 2.10 -0.99 -2.31 117.51 117.93 1ia0 h ILE 192 Ca 0.16 -1.22 -0.05 0.00 1.08 0.00 0.00 64.86 64.84 1ia0 h ILE 192 Cb 0.42 1.02 -0.03 0.00 -1.09 0.00 0.00 36.82 37.13 1ia0 h ILE 192 CO 0.01 0.42 0.28 -0.61 -1.08 0.00 0.00 178.15 177.18 1ia0 h GLN 193 N 0.78 1.12 -0.89 2.19 5.75 -0.52 -0.82 115.11 122.72 1ia0 h GLN 193 Ca 0.13 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1ia0 h GLN 193 Cb 0.63 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1ia0 h GLN 193 CO 0.04 0.92 0.49 -0.44 -2.65 0.00 0.00 178.83 177.19 1ia0 h ASP 194 N 1.09 1.11 -0.25 -0.69 3.32 -0.84 0.71 116.42 120.87 1ia0 h ASP 194 Ca 0.25 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1ia0 h ASP 194 Cb 0.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ia0 h ASP 194 CO -0.02 0.88 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.99 1ia0 h LEU 195 N 1.24 0.80 -0.38 1.55 3.38 -0.93 -2.16 115.31 118.81 1ia0 h LEU 195 Ca 0.31 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ia0 h LEU 195 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1ia0 h LEU 195 CO -0.05 1.06 0.19 -0.03 0.09 0.00 0.00 178.44 179.69 1ia0 h MET 196 N 0.64 0.54 -0.03 1.13 4.05 -0.54 -0.44 114.93 120.30 1ia0 h MET 196 Ca 0.07 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1ia0 h MET 196 Cb 0.86 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1ia0 h MET 196 CO 0.08 0.48 0.02 -0.44 0.23 0.00 0.00 176.91 177.27 1ia0 h ASP 197 N 0.48 0.03 -0.08 1.39 3.45 -0.74 0.81 116.42 121.77 1ia0 h ASP 197 Ca 0.13 -0.08 -0.08 0.00 0.43 0.00 0.00 57.03 57.43 1ia0 h ASP 197 Cb 0.11 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1ia0 h ASP 197 CO -0.02 0.10 -0.18 0.77 -1.57 0.00 0.00 179.24 178.35 1ia0 h SER 198 N -0.04 0.44 -0.08 6.45 4.64 -1.34 -2.06 113.55 121.56 1ia0 h SER 198 Ca 0.01 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1ia0 h SER 198 Cb 0.08 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1ia0 h SER 198 CO -0.00 0.64 0.03 1.23 -0.87 0.00 0.00 176.83 177.86 1ia0 h GLY 199 N 0.95 0.13 1.82 -0.77 0.00 -0.75 -1.74 103.07 102.72 1ia0 h GLY 199 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1ia0 h GLY 199 CO 0.04 0.07 0.07 3.43 0.00 0.00 0.00 176.54 180.15 1ia0 h ASN 200 N -0.03 0.00 1.40 0.19 2.35 -0.57 0.95 115.58 119.87 1ia0 h ASN 200 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1ia0 h ASN 200 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ia0 h ASN 200 CO -0.00 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.89 1ia0 h LYS 201 N 0.00 0.00 -0.18 0.81 1.57 -0.62 -3.27 116.57 114.88 1ia0 h LYS 201 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ia0 h LYS 201 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ia0 h LYS 201 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1ia0 n ALA 202 N -1.83 2.46 -1.79 3.86 0.00 0.32 -4.99 120.51 118.54 1ia0 n ALA 202 Ca 0.05 -0.78 -0.35 0.00 0.00 0.00 0.00 53.44 52.36 1ia0 n ALA 202 Cb 0.40 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1ia0 n ALA 202 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ia0 s ARG 203 N -1.78 3.81 0.29 0.00 0.52 -1.22 -4.99 118.95 115.58 1ia0 s ARG 203 Ca 0.33 1.42 -0.30 0.00 -0.52 0.00 0.00 55.73 56.67 1ia0 s ARG 203 Cb 0.21 -2.16 -0.11 0.00 0.52 0.00 0.00 34.95 33.42 1ia0 s ARG 203 CO 0.31 -0.43 1.48 0.99 0.02 0.00 0.00 175.30 177.66 1ia0 s THR 204 N -1.90 2.42 0.30 0.02 2.01 -1.26 -4.90 115.64 112.33 1ia0 s THR 204 Ca 0.66 0.37 0.09 0.00 0.31 0.00 0.00 61.69 63.12 1ia0 s THR 204 Cb -0.18 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1ia0 s THR 204 CO 0.22 0.07 0.05 0.68 -0.69 0.00 0.00 174.62 174.94 1ia0 s VAL 205 N -0.26 3.16 -0.07 3.82 -7.23 -1.26 0.03 120.40 118.59 1ia0 s VAL 205 Ca 0.59 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1ia0 s VAL 205 Cb -0.44 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.64 1ia0 s VAL 205 CO 0.48 -0.28 -0.07 0.00 -0.31 0.00 0.00 175.10 174.92 1ia0 s ALA 206 N -2.39 1.04 0.29 1.32 0.00 -0.05 -4.54 121.76 117.43 1ia0 s ALA 206 Ca 0.34 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1ia0 s ALA 206 Cb -0.04 -0.66 0.67 0.00 0.00 0.00 0.00 23.12 23.09 1ia0 s ALA 206 CO 0.21 -0.16 1.77 0.00 0.00 0.00 0.00 175.76 177.57 1ia0 h ALA 207 N 7.58 1.53 -0.04 0.00 0.00 -1.90 0.54 119.26 126.97 1ia0 h ALA 207 Ca -0.31 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ia0 h ALA 207 Cb 1.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ia0 h ALA 207 CO 0.42 -0.07 0.08 1.15 0.00 0.00 0.00 179.25 180.83 1ia0 h THR 208 N 0.71 0.31 -0.64 0.00 2.02 -1.94 0.73 112.91 114.09 1ia0 h THR 208 Ca 0.54 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 67.41 1ia0 h THR 208 Cb 0.82 0.93 -0.18 0.00 -1.74 0.00 0.00 68.15 67.98 1ia0 h THR 208 CO -0.38 0.00 0.25 -3.20 0.37 0.00 0.00 175.52 172.55 1ia0 n ASN 209 N -3.52 3.26 -3.29 4.18 5.15 0.15 -4.87 115.26 116.32 1ia0 n ASN 209 Ca -0.02 -3.63 -0.20 0.00 -0.60 0.00 0.00 54.58 50.13 1ia0 n ASN 209 Cb 0.16 -0.72 0.07 0.00 -0.53 0.00 0.00 39.78 38.76 1ia0 n ASN 209 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1ia0 n MET 210 N -1.02 -7.01 -1.86 1.20 2.81 0.24 -2.06 117.12 109.42 1ia0 n MET 210 Ca 0.44 0.76 -0.16 0.00 -1.81 0.00 0.00 57.70 56.92 1ia0 n MET 210 Cb 1.32 -5.57 -0.04 0.00 -0.71 0.00 0.00 33.22 28.22 1ia0 n MET 210 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ia0 n ASN 211 N -2.66 -4.50 -4.94 7.83 3.02 0.92 -4.95 115.26 109.99 1ia0 n ASN 211 Ca -0.04 0.28 -0.24 0.00 -0.03 0.00 0.00 54.58 54.54 1ia0 n ASN 211 Cb 0.57 -3.95 0.04 0.00 -0.61 0.00 0.00 39.78 35.83 1ia0 n ASN 211 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ia0 s GLU 212 N -4.06 2.69 0.10 3.52 0.41 -0.88 -4.46 118.70 116.03 1ia0 s GLU 212 Ca 0.00 -0.34 -0.36 0.00 -0.41 0.00 0.00 54.97 53.87 1ia0 s GLU 212 Cb 0.00 -2.36 -0.18 0.00 -1.78 0.00 0.00 34.13 29.82 1ia0 s GLU 212 CO 0.00 -0.74 1.07 2.41 -0.49 0.00 0.00 175.26 177.51 1ia0 n THR 213 N -2.51 0.55 -1.70 3.63 -1.04 -1.26 -0.87 114.28 111.08 1ia0 n THR 213 Ca 0.05 -0.14 -0.44 0.00 -2.04 0.00 0.00 64.05 61.49 1ia0 n THR 213 Cb 0.59 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.66 1ia0 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ia0 n SER 214 N 1.92 3.32 0.00 8.00 2.88 0.10 -4.60 113.62 125.25 1ia0 n SER 214 Ca 0.18 1.11 0.07 0.00 -1.33 0.00 0.00 58.87 58.90 1ia0 n SER 214 Cb 0.17 -1.49 0.31 0.00 -0.75 0.00 0.00 64.21 62.45 1ia0 n SER 214 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ia0 n SER 215 N 2.86 0.00 -1.07 -3.46 3.41 -1.26 -3.02 113.62 111.08 1ia0 n SER 215 Ca 0.13 0.38 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 1ia0 n SER 215 Cb 0.32 -0.44 0.23 0.00 -0.26 0.00 0.00 64.21 64.06 1ia0 n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ia0 n ARG 216 N -1.44 2.53 -4.04 4.33 5.12 -1.26 -0.52 116.66 121.38 1ia0 n ARG 216 Ca 0.04 -2.30 -0.32 0.00 -1.93 0.00 0.00 57.85 53.34 1ia0 n ARG 216 Cb 0.15 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 29.92 1ia0 n ARG 216 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ia0 s SER 217 N -1.17 5.86 -0.10 0.55 1.04 -1.17 -4.48 113.70 114.23 1ia0 s SER 217 Ca 0.37 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 1ia0 s SER 217 Cb 0.21 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1ia0 s SER 217 CO 0.28 0.25 -0.01 -1.00 0.98 0.00 0.00 173.24 173.74 1ia0 s HIS 218 N -1.28 3.13 -0.16 5.02 3.76 0.12 -3.39 115.29 122.49 1ia0 s HIS 218 Ca 0.26 0.09 -0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1ia0 s HIS 218 Cb -0.12 -1.83 -0.00 0.00 1.11 0.00 0.00 32.58 31.73 1ia0 s HIS 218 CO 0.17 0.36 -0.14 0.00 -0.85 0.00 0.00 174.74 174.28 1ia0 s ALA 219 N -0.58 2.55 -0.22 -1.40 0.00 -0.42 0.80 121.76 122.48 1ia0 s ALA 219 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ia0 s ALA 219 Cb -0.12 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1ia0 s ALA 219 CO 0.02 -0.04 -0.13 0.08 0.00 0.00 0.00 175.76 175.69 1ia0 s VAL 220 N 0.83 2.45 -0.32 0.00 1.01 -0.07 -1.30 120.40 123.01 1ia0 s VAL 220 Ca -0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1ia0 s VAL 220 Cb -0.15 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1ia0 s VAL 220 CO -0.00 0.34 0.14 0.12 0.00 0.00 0.00 175.10 175.70 1ia0 s PHE 221 N 1.29 3.19 -0.06 5.22 5.36 0.27 -1.67 117.98 131.58 1ia0 s PHE 221 Ca 0.02 -0.76 0.03 0.00 -0.96 0.00 0.00 56.93 55.25 1ia0 s PHE 221 Cb -0.15 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1ia0 s PHE 221 CO -0.08 -0.53 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.23 1ia0 s ASN 222 N 1.57 4.16 -0.07 6.13 0.02 -0.12 -0.51 114.94 126.12 1ia0 s ASN 222 Ca 0.03 -0.18 0.04 0.00 -1.02 0.00 0.00 52.86 51.74 1ia0 s ASN 222 Cb -0.18 -1.01 -0.00 0.00 0.02 0.00 0.00 41.25 40.08 1ia0 s ASN 222 CO 0.05 0.33 -0.21 -0.63 0.02 0.00 0.00 177.10 176.66 1ia0 s ILE 223 N -0.61 1.76 -0.41 0.60 1.01 0.08 -1.17 121.20 122.45 1ia0 s ILE 223 Ca 0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1ia0 s ILE 223 Cb -0.11 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 40.91 1ia0 s ILE 223 CO 0.01 0.50 0.25 -0.63 0.00 0.00 0.00 174.94 175.06 1ia0 s ILE 224 N 0.21 4.17 -0.40 2.92 -1.09 0.76 -0.44 121.20 127.33 1ia0 s ILE 224 Ca -0.11 -1.40 -0.15 0.00 -2.23 0.00 0.00 60.65 56.76 1ia0 s ILE 224 Cb -0.15 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1ia0 s ILE 224 CO 0.05 -0.49 0.33 0.12 -1.23 0.00 0.00 174.94 173.73 1ia0 s PHE 225 N 1.41 3.22 -0.19 3.97 5.36 0.07 -1.86 117.98 129.96 1ia0 s PHE 225 Ca 0.03 -0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 55.51 1ia0 s PHE 225 Cb -0.23 -2.66 -0.03 0.00 -0.34 0.00 0.00 43.02 39.76 1ia0 s PHE 225 CO 0.02 -0.58 0.02 0.99 -1.46 0.00 0.00 175.22 174.21 1ia0 s THR 226 N 1.84 4.25 -0.16 0.12 2.01 -0.23 -1.08 115.64 122.39 1ia0 s THR 226 Ca 0.08 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1ia0 s THR 226 Cb -0.18 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1ia0 s THR 226 CO 0.11 0.44 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.32 1ia0 s GLN 227 N 0.71 3.53 -0.19 4.92 -0.21 0.56 -1.62 119.66 127.36 1ia0 s GLN 227 Ca 0.01 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1ia0 s GLN 227 Cb -0.14 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.06 1ia0 s GLN 227 CO 0.02 0.17 -0.17 0.15 -2.12 0.00 0.00 175.29 173.34 1ia0 s LYS 228 N 0.52 2.95 -0.30 2.91 1.02 -0.33 -1.33 119.74 125.18 1ia0 s LYS 228 Ca -0.05 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1ia0 s LYS 228 Cb -0.15 -2.66 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1ia0 s LYS 228 CO 0.03 -0.25 0.03 0.50 -0.92 0.00 0.00 175.35 174.74 1ia0 s ARG 229 N 1.29 2.66 0.63 1.68 3.52 -0.64 -1.23 118.95 126.87 1ia0 s ARG 229 Ca 0.04 -1.13 -0.03 0.00 -0.13 0.00 0.00 55.73 54.47 1ia0 s ARG 229 Cb -0.14 -3.26 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1ia0 s ARG 229 CO -0.11 -0.57 0.91 -1.58 -0.81 0.00 0.00 175.30 173.14 1ia0 s HIS 230 N 1.35 2.92 -0.30 5.12 5.65 0.34 -2.23 115.29 128.14 1ia0 s HIS 230 Ca -0.02 0.28 -0.14 0.00 0.25 0.00 0.00 55.06 55.43 1ia0 s HIS 230 Cb -0.19 -2.99 0.15 0.00 -1.18 0.00 0.00 32.58 28.38 1ia0 s HIS 230 CO 0.00 -1.15 0.89 0.34 -0.65 0.00 0.00 174.74 174.16 1ia0 s ASP 231 N -4.47 -0.74 -0.34 9.88 -1.08 -1.26 -4.81 116.67 113.85 1ia0 s ASP 231 Ca 0.58 1.03 -0.29 0.00 -0.52 0.00 0.00 52.55 53.36 1ia0 s ASP 231 Cb -0.11 1.78 -0.01 0.00 -1.46 0.00 0.00 42.92 43.12 1ia0 s ASP 231 CO 0.42 -0.15 1.65 0.00 0.52 0.00 0.00 175.17 177.62 1ia0 s ALA 232 N 2.44 2.98 0.00 3.66 0.00 -1.26 -3.71 121.76 125.87 1ia0 s ALA 232 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1ia0 s ALA 232 Cb -0.07 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1ia0 s ALA 232 CO -0.18 -2.46 0.00 -0.85 0.00 0.00 0.00 175.76 172.27 1ia0 n GLU 233 N 8.22 0.00 0.01 0.00 0.28 -1.26 -4.92 120.64 122.97 1ia0 n GLU 233 Ca 0.20 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.30 1ia0 n GLU 233 Cb 0.47 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.21 1ia0 n GLU 233 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1ia0 n THR 234 N -0.11 0.27 -1.05 3.84 -1.04 -1.26 -5.00 114.28 109.93 1ia0 n THR 234 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1ia0 n THR 234 Cb 0.00 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1ia0 n THR 234 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ia0 n ASN 235 N -2.41 -2.36 -4.73 8.00 2.85 -1.24 -5.05 115.26 110.31 1ia0 n ASN 235 Ca -0.05 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.05 1ia0 n ASN 235 Cb 0.61 -0.45 -0.07 0.00 1.24 0.00 0.00 39.78 41.12 1ia0 n ASN 235 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1ia0 s ILE 236 N -2.00 5.26 -0.07 -1.44 -0.00 -1.26 -4.98 121.20 116.72 1ia0 s ILE 236 Ca 0.00 0.66 -0.15 0.00 -0.00 0.00 0.00 60.65 61.16 1ia0 s ILE 236 Cb 0.00 -3.68 -0.05 0.00 -0.00 0.00 0.00 42.46 38.73 1ia0 s ILE 236 CO 0.00 0.39 0.40 -0.89 -0.00 0.00 0.00 174.94 174.83 1ia0 s THR 237 N 0.40 5.15 0.18 8.37 2.01 -1.26 -4.35 115.64 126.13 1ia0 s THR 237 Ca 0.19 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 62.96 1ia0 s THR 237 Cb -0.14 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1ia0 s THR 237 CO 0.06 0.47 0.38 0.42 -0.69 0.00 0.00 174.62 175.26 1ia0 s THR 238 N -0.26 5.20 -0.03 -0.82 -4.23 -0.95 -4.91 115.64 109.64 1ia0 s THR 238 Ca 0.23 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1ia0 s THR 238 Cb -0.15 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1ia0 s THR 238 CO 0.10 -0.09 -0.18 -0.70 -0.54 0.00 0.00 174.62 173.21 1ia0 s GLU 239 N -3.07 1.61 -0.14 3.99 2.12 -1.26 -1.62 118.70 120.34 1ia0 s GLU 239 Ca 0.39 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1ia0 s GLU 239 Cb -0.11 -1.47 0.02 0.00 0.26 0.00 0.00 34.13 32.82 1ia0 s GLU 239 CO 0.28 0.32 -0.13 0.15 -0.54 0.00 0.00 175.26 175.34 1ia0 s LYS 240 N -0.20 2.12 -0.17 4.30 1.02 -0.44 -4.99 119.74 121.39 1ia0 s LYS 240 Ca 0.02 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.52 1ia0 s LYS 240 Cb -0.09 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1ia0 s LYS 240 CO 0.01 -0.23 -0.18 0.08 -0.92 0.00 0.00 175.35 174.11 1ia0 s VAL 241 N 1.51 2.35 -0.05 3.17 1.01 -1.26 -0.33 120.40 126.80 1ia0 s VAL 241 Ca 0.04 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1ia0 s VAL 241 Cb -0.13 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1ia0 s VAL 241 CO -0.10 0.52 -0.23 -0.44 0.00 0.00 0.00 175.10 174.85 1ia0 s SER 242 N 1.08 3.25 -0.21 3.32 0.01 -0.24 -4.85 113.70 116.07 1ia0 s SER 242 Ca -0.00 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.75 1ia0 s SER 242 Cb -0.14 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.33 1ia0 s SER 242 CO -0.06 0.28 0.05 -0.75 0.41 0.00 0.00 173.24 173.16 1ia0 s LYS 243 N -0.36 3.76 -0.23 12.44 2.20 -1.26 -0.75 119.74 135.54 1ia0 s LYS 243 Ca 0.02 -0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1ia0 s LYS 243 Cb -0.12 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1ia0 s LYS 243 CO 0.02 0.04 0.01 0.42 -0.36 0.00 0.00 175.35 175.48 1ia0 s ILE 244 N 0.97 3.81 -0.24 5.43 1.01 0.41 -0.82 121.20 131.76 1ia0 s ILE 244 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1ia0 s ILE 244 Cb -0.14 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1ia0 s ILE 244 CO 0.03 0.38 -0.08 -0.44 0.00 0.00 0.00 174.94 174.83 1ia0 s SER 245 N 1.54 4.18 -0.29 3.58 0.01 -0.20 -0.74 113.70 121.78 1ia0 s SER 245 Ca 0.06 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.41 1ia0 s SER 245 Cb -0.15 -1.63 0.03 0.00 0.21 0.00 0.00 66.02 64.48 1ia0 s SER 245 CO -0.00 -0.11 0.01 -0.76 0.41 0.00 0.00 173.24 172.79 1ia0 s LEU 246 N 1.31 3.70 -0.12 2.44 1.43 0.33 -0.98 118.68 126.78 1ia0 s LEU 246 Ca 0.00 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 1ia0 s LEU 246 Cb -0.16 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1ia0 s LEU 246 CO -0.05 -0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 175.53 1ia0 s VAL 247 N 1.36 3.32 -0.35 -1.59 1.01 0.86 -0.57 120.40 124.45 1ia0 s VAL 247 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1ia0 s VAL 247 Cb -0.18 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 33.90 1ia0 s VAL 247 CO -0.01 0.53 0.06 -0.62 0.00 0.00 0.00 175.10 175.07 1ia0 s ASP 248 N 0.13 4.77 0.67 3.32 2.15 -0.42 -0.76 116.67 126.53 1ia0 s ASP 248 Ca -0.05 -2.19 -0.11 0.00 0.43 0.00 0.00 52.55 50.63 1ia0 s ASP 248 Cb -0.14 -1.64 -0.01 0.00 -0.30 0.00 0.00 42.92 40.83 1ia0 s ASP 248 CO 0.04 -0.38 1.05 -0.76 -0.17 0.00 0.00 175.17 174.95 1ia0 s LEU 249 N 0.86 3.18 0.86 -1.34 1.43 -1.11 -1.30 118.68 121.25 1ia0 s LEU 249 Ca 0.11 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 1ia0 s LEU 249 Cb -0.19 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.64 1ia0 s LEU 249 CO -0.08 -1.27 1.09 0.00 0.23 0.00 0.00 176.35 176.32 1ia0 s ALA 250 N -3.06 1.81 0.11 4.21 0.00 -1.22 -4.89 121.76 118.72 1ia0 s ALA 250 Ca 0.57 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1ia0 s ALA 250 Cb -0.13 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1ia0 s ALA 250 CO 0.54 -2.12 1.71 0.20 0.00 0.00 0.00 175.76 176.08 1ia0 s GLY 251 N -3.58 1.47 0.00 0.00 0.00 0.32 -4.70 107.32 100.83 1ia0 s GLY 251 Ca 0.62 1.33 0.10 0.00 0.00 0.00 0.00 44.72 46.77 1ia0 s GLY 251 CO 0.56 2.95 1.21 -1.14 0.00 0.00 0.00 173.10 176.67 1ia0 n SER 252 N 5.36 0.00 0.00 1.64 3.41 -0.57 -4.72 113.62 118.73 1ia0 n SER 252 Ca 0.16 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1ia0 n SER 252 Cb 0.39 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1ia0 n SER 252 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ia0 n GLU 253 N -1.32 0.00 -0.67 4.33 -0.58 -1.26 -4.94 120.64 116.20 1ia0 n GLU 253 Ca 0.04 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.73 1ia0 n GLU 253 Cb 0.08 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.94 1ia0 n GLU 253 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ia0 n ALA 269 N 0.00 0.18 -3.13 0.62 0.00 -1.26 -0.60 120.51 116.33 1ia0 n ALA 269 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1ia0 n ALA 269 Cb 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 1ia0 n ALA 269 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ia0 s ASN 270 N 2.88 -0.12 0.13 0.00 2.47 -1.26 -5.01 114.94 114.03 1ia0 s ASN 270 Ca 0.07 -0.07 -0.19 0.00 0.42 0.00 0.00 52.86 53.10 1ia0 s ASN 270 Cb 0.02 0.30 -0.04 0.00 -1.45 0.00 0.00 41.25 40.07 1ia0 s ASN 270 CO 0.04 -0.48 1.77 0.40 -3.72 0.00 0.00 177.10 175.11 1ia0 h ILE 271 N 3.76 1.02 -0.36 -5.21 1.08 -1.98 -3.29 117.51 112.53 1ia0 h ILE 271 Ca -0.30 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1ia0 h ILE 271 Cb 1.18 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1ia0 h ILE 271 CO 0.42 0.05 0.00 0.59 -0.69 0.00 0.00 178.15 178.52 1ia0 n ASN 272 N -4.96 4.29 0.32 1.72 3.02 -1.26 -4.49 115.26 113.90 1ia0 n ASN 272 Ca -0.02 -2.88 -0.18 0.00 -0.03 0.00 0.00 54.58 51.47 1ia0 n ASN 272 Cb 0.04 -0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.57 1ia0 n ASN 272 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ia0 h LYS 273 N 2.47 -0.91 -0.73 3.52 3.64 -1.97 -1.55 116.57 121.03 1ia0 h LYS 273 Ca 0.00 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1ia0 h LYS 273 Cb 1.51 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 33.45 1ia0 h LYS 273 CO 0.27 -0.61 0.28 0.77 -2.27 0.00 0.00 179.45 177.89 1ia0 h SER 274 N -0.95 0.26 -0.32 4.20 0.02 -1.85 0.28 113.55 115.19 1ia0 h SER 274 Ca -0.07 0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 1ia0 h SER 274 Cb 0.80 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1ia0 h SER 274 CO 0.02 0.11 -0.33 0.25 -1.14 0.00 0.00 176.83 175.74 1ia0 h LEU 275 N 0.44 0.84 -0.40 5.07 7.12 -1.88 0.94 115.31 127.43 1ia0 h LEU 275 Ca 0.39 -0.47 -0.16 0.00 0.13 0.00 0.00 57.88 57.76 1ia0 h LEU 275 Cb 0.57 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1ia0 h LEU 275 CO -0.39 1.15 -0.44 0.74 -0.13 0.00 0.00 178.44 179.37 1ia0 h THR 276 N 0.56 1.28 -0.41 1.05 2.02 -0.87 -2.34 112.91 114.18 1ia0 h THR 276 Ca 0.05 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.53 1ia0 h THR 276 Cb 0.91 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1ia0 h THR 276 CO 0.08 0.53 -0.09 0.74 0.37 0.00 0.00 175.52 177.16 1ia0 h THR 277 N 0.70 1.25 -0.77 3.16 2.02 -0.38 -2.16 112.91 116.73 1ia0 h THR 277 Ca 0.05 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1ia0 h THR 277 Cb 1.02 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1ia0 h THR 277 CO 0.10 0.38 0.46 0.25 0.37 0.00 0.00 175.52 177.08 1ia0 h LEU 278 N 0.66 0.93 -0.53 2.58 5.85 -0.64 0.14 115.31 124.31 1ia0 h LEU 278 Ca 0.12 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ia0 h LEU 278 Cb 0.54 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1ia0 h LEU 278 CO 0.03 0.73 0.33 1.23 -0.34 0.00 0.00 178.44 180.42 1ia0 h GLY 279 N 1.06 0.74 1.08 3.75 0.00 -0.90 -0.98 103.07 107.81 1ia0 h GLY 279 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1ia0 h GLY 279 CO -0.05 0.22 0.22 0.50 0.00 0.00 0.00 176.54 177.43 1ia0 h LYS 280 N 0.65 1.15 -0.48 4.80 1.57 -0.78 -0.82 116.57 122.66 1ia0 h LYS 280 Ca 0.21 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1ia0 h LYS 280 Cb -0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1ia0 h LYS 280 CO -0.08 0.98 0.02 0.28 -0.57 0.00 0.00 179.45 180.09 1ia0 h VAL 281 N 1.10 1.26 -0.27 0.50 2.07 -0.60 -0.01 116.25 120.30 1ia0 h VAL 281 Ca 0.24 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1ia0 h VAL 281 Cb 0.32 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ia0 h VAL 281 CO -0.01 0.36 0.05 0.40 0.02 0.00 0.00 177.57 178.39 1ia0 h ILE 282 N 0.70 1.23 -0.32 4.57 2.04 -1.01 -0.77 117.51 123.94 1ia0 h ILE 282 Ca 0.14 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1ia0 h ILE 282 Cb 0.48 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1ia0 h ILE 282 CO 0.02 0.25 0.20 0.28 0.00 0.00 0.00 178.15 178.90 1ia0 h SER 283 N 0.27 0.38 -0.69 1.72 0.02 -1.05 -0.67 113.55 113.53 1ia0 h SER 283 Ca 0.08 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1ia0 h SER 283 Cb 0.32 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1ia0 h SER 283 CO 0.00 0.30 0.33 0.00 -1.14 0.00 0.00 176.83 176.33 1ia0 h ALA 284 N 1.09 0.88 -0.44 3.77 0.00 -0.88 -1.65 119.26 122.03 1ia0 h ALA 284 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ia0 h ALA 284 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ia0 h ALA 284 CO -0.02 0.44 -0.11 -0.07 0.00 0.00 0.00 179.25 179.49 1ia0 h LEU 285 N 0.95 0.86 -1.37 0.00 3.38 -0.93 -0.10 115.31 118.10 1ia0 h LEU 285 Ca 0.24 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1ia0 h LEU 285 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ia0 h LEU 285 CO -0.03 1.03 0.01 0.00 0.09 0.00 0.00 178.44 179.53 1ia0 h ALA 286 N 0.86 1.49 0.12 1.53 0.00 -0.91 -3.03 119.26 119.32 1ia0 h ALA 286 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ia0 h ALA 286 Cb 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ia0 h ALA 286 CO 0.04 0.37 -0.06 0.93 0.00 0.00 0.00 179.25 180.53 1ia0 h GLU 287 N 0.41 -0.16 0.00 0.00 5.08 -1.06 -3.31 114.58 115.54 1ia0 h GLU 287 Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ia0 h GLU 287 Cb 0.26 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ia0 h GLU 287 CO 0.01 0.32 0.28 1.98 -1.00 0.00 0.00 179.01 180.60 1ia0 h MET 288 N -0.83 0.00 0.00 2.33 4.05 -0.94 -3.51 114.93 116.03 1ia0 h MET 288 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1ia0 h MET 288 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1ia0 h MET 288 CO 0.03 0.00 -0.00 -3.47 0.23 0.00 0.00 176.91 173.69 1ia0 n ASP 289 N -2.56 2.23 -4.77 1.39 2.03 -1.15 -5.09 116.55 108.62 1ia0 n ASP 289 Ca -0.02 -2.79 -0.31 0.00 0.52 0.00 0.00 54.79 52.20 1ia0 n ASP 289 Cb 0.32 -0.32 0.09 0.00 -0.72 0.00 0.00 41.12 40.50 1ia0 n ASP 289 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1ia0 s PHE 303 N -2.36 2.65 -0.23 -0.67 -0.00 -1.26 -4.96 117.98 111.15 1ia0 s PHE 303 Ca 0.23 1.40 -0.05 0.00 -0.00 0.00 0.00 56.93 58.51 1ia0 s PHE 303 Cb 0.20 -3.05 -0.02 0.00 -0.00 0.00 0.00 43.02 40.16 1ia0 s PHE 303 CO 0.02 -1.83 -0.00 0.42 -0.00 0.00 0.00 175.22 173.83 1ia0 s ILE 304 N -2.97 3.72 -0.90 -4.49 -1.09 -1.26 -5.03 121.20 109.18 1ia0 s ILE 304 Ca 0.61 -0.38 -0.08 0.00 -2.23 0.00 0.00 60.65 58.58 1ia0 s ILE 304 Cb -0.16 -2.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.94 1ia0 s ILE 304 CO 0.56 0.40 2.08 -0.81 -1.23 0.00 0.00 174.94 175.93 1ia0 n PRO 305 N 4.80 2.00 -0.09 2.79 -0.05 -1.26 -4.62 135.00 138.57 1ia0 n PRO 305 Ca -0.17 -1.52 -0.11 0.00 -0.05 0.00 0.00 63.50 61.65 1ia0 n PRO 305 Cb 0.51 -2.52 -0.04 0.00 -0.05 0.00 0.00 33.50 31.40 1ia0 n PRO 305 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 1ia0 h TYR 306 N 6.54 0.52 0.00 0.54 0.05 -1.95 -3.17 116.97 119.50 1ia0 h TYR 306 Ca 0.48 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1ia0 h TYR 306 Cb 0.23 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1ia0 h TYR 306 CO 1.86 0.62 0.00 0.54 -1.05 0.00 0.00 178.16 180.13 1ia0 n ARG 307 N -4.61 0.06 0.00 4.88 5.12 -1.26 -2.17 116.66 118.67 1ia0 n ARG 307 Ca -0.03 0.22 0.08 0.00 -1.93 0.00 0.00 57.85 56.19 1ia0 n ARG 307 Cb 0.24 -1.50 0.40 0.00 -1.16 0.00 0.00 32.46 30.44 1ia0 n ARG 307 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ia0 n ASP 308 N -1.44 0.00 -3.68 0.55 9.92 -1.20 -4.75 116.55 115.95 1ia0 n ASP 308 Ca 0.05 0.20 -0.13 0.00 -0.53 0.00 0.00 54.79 54.37 1ia0 n ASP 308 Cb 0.16 -0.36 -0.07 0.00 -0.64 0.00 0.00 41.12 40.21 1ia0 n ASP 308 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1ia0 s SER 309 N -2.71 -0.28 0.30 -2.24 1.04 -1.22 -4.87 113.70 103.71 1ia0 s SER 309 Ca 0.13 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.66 1ia0 s SER 309 Cb 0.11 0.40 0.47 0.00 0.10 0.00 0.00 66.02 67.10 1ia0 s SER 309 CO 0.27 -0.60 1.79 0.58 0.98 0.00 0.00 173.24 176.26 1ia0 h VAL 310 N 3.24 1.23 0.52 5.02 2.07 -1.86 -1.71 116.25 124.76 1ia0 h VAL 310 Ca -0.30 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 1ia0 h VAL 310 Cb 1.19 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ia0 h VAL 310 CO 0.42 0.34 -0.25 0.25 0.02 0.00 0.00 177.57 178.36 1ia0 h LEU 311 N 0.51 -0.59 -2.12 2.57 5.85 -1.91 -1.70 115.31 117.93 1ia0 h LEU 311 Ca 0.09 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ia0 h LEU 311 Cb 0.50 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ia0 h LEU 311 CO 0.03 -0.24 -0.07 0.71 -0.34 0.00 0.00 178.44 178.53 1ia0 h THR 312 N -0.98 0.43 0.12 1.05 1.35 -1.77 -0.72 112.91 112.40 1ia0 h THR 312 Ca -0.07 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1ia0 h THR 312 Cb 0.62 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1ia0 h THR 312 CO 0.12 0.07 -0.06 -0.25 -0.25 0.00 0.00 175.52 175.15 1ia0 h TRP 313 N 0.00 -0.15 -0.24 4.73 7.01 -0.80 -2.12 115.95 124.37 1ia0 h TRP 313 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 1ia0 h TRP 313 Cb 0.25 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1ia0 h TRP 313 CO 0.00 0.32 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.88 1ia0 h LEU 314 N -0.76 0.34 -2.68 0.65 3.38 -0.99 -2.58 115.31 112.67 1ia0 h LEU 314 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ia0 h LEU 314 Cb 0.54 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ia0 h LEU 314 CO 0.03 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1ia0 n LEU 315 N -4.32 4.10 -0.12 1.67 4.77 -0.30 -4.64 117.00 118.15 1ia0 n LEU 315 Ca 0.00 -2.07 -0.07 0.00 -0.03 0.00 0.00 56.01 53.84 1ia0 n LEU 315 Cb 0.22 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1ia0 n LEU 315 CO 0.38 0.66 0.64 -0.09 -1.33 0.00 0.00 177.39 177.66 1ia0 h ARG 316 N 3.35 -0.23 0.00 3.23 2.43 -0.95 -0.75 114.38 121.45 1ia0 h ARG 316 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ia0 h ARG 316 Cb 1.29 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1ia0 h ARG 316 CO 0.22 -0.15 0.00 0.93 -1.51 0.00 0.00 179.97 179.46 1ia0 h GLU 317 N -0.24 0.00 0.00 0.20 4.39 -1.85 -2.24 114.58 114.83 1ia0 h GLU 317 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1ia0 h GLU 317 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1ia0 h GLU 317 CO -0.54 0.00 -0.64 -0.91 -1.16 0.00 0.00 179.01 175.76 1ia0 h ASN 318 N 0.00 0.00 -2.79 1.42 4.21 -1.47 -2.20 115.58 114.74 1ia0 h ASN 318 Ca 0.00 -0.04 -0.68 0.00 1.21 0.00 0.00 56.30 56.79 1ia0 h ASN 318 Cb 0.30 0.00 -0.37 0.00 -1.12 0.00 0.00 38.32 37.13 1ia0 h ASN 318 CO 0.00 0.02 -0.12 0.18 -1.29 0.00 0.00 177.43 176.22 1ia0 n LEU 319 N -2.66 4.44 0.00 1.61 4.77 -0.84 -4.62 117.00 119.69 1ia0 n LEU 319 Ca 0.02 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.72 1ia0 n LEU 319 Cb 0.52 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1ia0 n LEU 319 CO 0.37 1.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.84 1ia0 n GLY 320 N 1.51 2.51 0.00 -0.72 0.00 -1.26 -4.93 105.19 102.29 1ia0 n GLY 320 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ia0 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia0 n GLY 321 N -0.52 0.56 3.58 -0.02 0.00 -0.85 -3.11 105.19 104.83 1ia0 n GLY 321 Ca 0.00 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1ia0 n GLY 321 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ia0 s ASN 322 N -1.00 5.88 -0.18 1.61 2.47 -1.10 -2.42 114.94 120.21 1ia0 s ASN 322 Ca 0.00 -1.87 -0.30 0.00 0.42 0.00 0.00 52.86 51.10 1ia0 s ASN 322 Cb 0.00 -2.58 0.14 0.00 -1.45 0.00 0.00 41.25 37.36 1ia0 s ASN 322 CO 0.00 -2.16 1.10 -0.55 -3.72 0.00 0.00 177.10 171.77 1ia0 s SER 323 N 5.60 -0.26 -0.30 -4.21 0.15 -1.25 -4.57 113.70 108.86 1ia0 s SER 323 Ca 0.61 0.24 -0.14 0.00 0.70 0.00 0.00 55.95 57.36 1ia0 s SER 323 Cb 0.01 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1ia0 s SER 323 CO 0.08 -0.28 0.31 -0.13 1.20 0.00 0.00 173.24 174.41 1ia0 s ARG 324 N -1.41 3.85 0.14 5.44 1.81 -0.28 -4.78 118.95 123.71 1ia0 s ARG 324 Ca 0.03 -0.22 0.10 0.00 -1.72 0.00 0.00 55.73 53.91 1ia0 s ARG 324 Cb -0.01 -3.70 -0.04 0.00 -0.45 0.00 0.00 34.95 30.75 1ia0 s ARG 324 CO -0.02 -0.32 -0.24 0.99 -0.68 0.00 0.00 175.30 175.03 1ia0 s THR 325 N 1.94 2.06 -0.02 0.02 2.01 -1.26 -1.11 115.64 119.28 1ia0 s THR 325 Ca 0.11 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.32 1ia0 s THR 325 Cb -0.16 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1ia0 s THR 325 CO 0.11 -0.03 0.09 0.00 -0.69 0.00 0.00 174.62 174.09 1ia0 s ALA 326 N -1.30 -0.21 -0.04 7.40 0.00 0.16 -1.79 121.76 125.97 1ia0 s ALA 326 Ca 0.13 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.26 1ia0 s ALA 326 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1ia0 s ALA 326 CO 0.06 -0.08 -0.18 1.41 0.00 0.00 0.00 175.76 176.96 1ia0 s MET 327 N -0.33 2.39 -0.21 0.00 1.75 0.14 -1.67 119.30 121.36 1ia0 s MET 327 Ca -0.04 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.63 1ia0 s MET 327 Cb -0.03 -2.27 0.04 0.00 2.84 0.00 0.00 34.83 35.42 1ia0 s MET 327 CO 0.00 0.59 -0.11 0.08 -0.65 0.00 0.00 175.02 174.93 1ia0 s VAL 328 N -0.65 1.76 -0.26 10.11 1.01 -0.28 -1.31 120.40 130.77 1ia0 s VAL 328 Ca 0.10 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1ia0 s VAL 328 Cb -0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1ia0 s VAL 328 CO 0.00 0.15 0.27 0.00 0.00 0.00 0.00 175.10 175.52 1ia0 s ALA 329 N 1.34 3.56 0.03 5.51 0.00 0.12 -1.00 121.76 131.32 1ia0 s ALA 329 Ca -0.02 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 1ia0 s ALA 329 Cb -0.17 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1ia0 s ALA 329 CO -0.08 -0.49 0.74 0.00 0.00 0.00 0.00 175.76 175.93 1ia0 s ALA 330 N 1.68 3.38 -0.05 0.00 0.00 0.77 -0.46 121.76 127.08 1ia0 s ALA 330 Ca 0.11 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1ia0 s ALA 330 Cb -0.15 -2.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1ia0 s ALA 330 CO 0.09 0.07 -0.19 -0.51 0.00 0.00 0.00 175.76 175.22 1ia0 s LEU 331 N -0.04 1.95 0.31 0.00 1.43 0.11 -4.27 118.68 118.17 1ia0 s LEU 331 Ca 0.37 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 1ia0 s LEU 331 Cb -0.20 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 1ia0 s LEU 331 CO 0.22 0.17 0.93 -0.55 0.23 0.00 0.00 176.35 177.35 1ia0 s SER 332 N 0.00 7.33 0.00 2.29 0.15 -1.26 -2.60 113.70 119.61 1ia0 s SER 332 Ca -0.04 1.81 0.25 0.00 0.70 0.00 0.00 55.95 58.67 1ia0 s SER 332 Cb -0.12 -2.57 0.52 0.00 -1.71 0.00 0.00 66.02 62.14 1ia0 s SER 332 CO 0.03 -0.05 1.42 -0.81 1.20 0.00 0.00 173.24 175.03 1ia0 n PRO 333 N 0.62 0.05 -2.54 5.44 -0.04 -1.26 -4.93 135.00 132.33 1ia0 n PRO 333 Ca 0.01 -0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.06 1ia0 n PRO 333 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1ia0 n PRO 333 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ia0 s ALA 334 N -2.97 3.24 0.31 0.55 0.00 -1.26 -1.05 121.76 120.58 1ia0 s ALA 334 Ca 0.12 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1ia0 s ALA 334 Cb 0.18 -3.29 0.58 0.00 0.00 0.00 0.00 23.12 20.59 1ia0 s ALA 334 CO 0.69 -0.14 1.91 0.38 0.00 0.00 0.00 175.76 178.60 1ia0 h ASP 335 N 3.19 0.86 0.38 0.00 3.04 -1.70 -2.05 116.42 120.12 1ia0 h ASP 335 Ca -0.47 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1ia0 h ASP 335 Cb 1.21 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 1ia0 h ASP 335 CO 0.65 0.54 0.00 0.16 -2.04 0.00 0.00 179.24 178.54 1ia0 h ILE 336 N 0.96 0.00 -0.46 4.15 3.07 -1.93 -2.69 117.51 120.61 1ia0 h ILE 336 Ca 0.39 -0.18 -0.07 0.00 1.55 0.00 0.00 64.86 66.55 1ia0 h ILE 336 Cb 0.27 1.12 -0.04 0.00 -0.27 0.00 0.00 36.82 37.89 1ia0 h ILE 336 CO -0.15 0.00 0.06 0.59 -1.05 0.00 0.00 178.15 177.60 1ia0 n ASN 337 N -2.96 4.42 -0.12 2.16 3.02 -0.77 -4.78 115.26 116.24 1ia0 n ASN 337 Ca -0.01 -3.13 -0.13 0.00 -0.03 0.00 0.00 54.58 51.28 1ia0 n ASN 337 Cb 0.15 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 1ia0 n ASN 337 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ia0 h TYR 338 N 2.45 -1.56 -0.53 3.10 5.03 -1.57 0.04 116.97 123.92 1ia0 h TYR 338 Ca 0.09 0.08 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1ia0 h TYR 338 Cb 1.81 0.73 -0.06 0.00 1.55 0.00 0.00 36.73 40.77 1ia0 h TYR 338 CO 0.88 -0.49 0.22 -0.44 -1.32 0.00 0.00 178.16 177.01 1ia0 h ASP 339 N -0.41 0.26 -0.46 -2.11 3.32 -1.88 0.11 116.42 115.25 1ia0 h ASP 339 Ca 0.09 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1ia0 h ASP 339 Cb 0.61 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1ia0 h ASP 339 CO -0.57 0.17 -0.13 -0.33 -1.72 0.00 0.00 179.24 176.66 1ia0 h GLU 340 N 0.42 0.95 -0.47 3.56 4.39 -1.84 -1.83 114.58 119.75 1ia0 h GLU 340 Ca 0.25 -0.35 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1ia0 h GLU 340 Cb 0.25 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1ia0 h GLU 340 CO -0.23 1.02 -0.23 1.15 -1.16 0.00 0.00 179.01 179.55 1ia0 h THR 341 N 0.84 1.27 -0.63 1.13 2.02 -0.50 -1.74 112.91 115.30 1ia0 h THR 341 Ca 0.13 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1ia0 h THR 341 Cb 0.68 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1ia0 h THR 341 CO 0.05 0.48 0.36 0.25 0.37 0.00 0.00 175.52 177.03 1ia0 h LEU 342 N 0.84 0.77 -0.88 2.58 5.85 -0.68 -0.95 115.31 122.85 1ia0 h LEU 342 Ca 0.11 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1ia0 h LEU 342 Cb 0.81 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1ia0 h LEU 342 CO 0.07 0.63 0.49 -1.28 -0.34 0.00 0.00 178.44 178.01 1ia0 h SER 343 N 0.86 1.09 -0.33 1.25 0.87 -1.14 -0.44 113.55 115.71 1ia0 h SER 343 Ca 0.22 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1ia0 h SER 343 Cb 0.02 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1ia0 h SER 343 CO -0.04 0.87 0.05 0.74 -0.53 0.00 0.00 176.83 177.93 1ia0 h THR 344 N 1.23 1.23 -0.93 2.23 2.02 -0.87 -0.50 112.91 117.32 1ia0 h THR 344 Ca 0.31 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1ia0 h THR 344 Cb 0.01 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1ia0 h THR 344 CO -0.05 0.27 0.62 -0.07 0.37 0.00 0.00 175.52 176.66 1ia0 h LEU 345 N 0.37 1.07 -0.60 2.58 3.38 -0.79 0.11 115.31 121.43 1ia0 h LEU 345 Ca 0.10 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1ia0 h LEU 345 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ia0 h LEU 345 CO 0.01 0.77 -0.42 0.03 0.09 0.00 0.00 178.44 178.92 1ia0 h ARG 346 N 1.26 0.63 0.00 1.13 3.08 -0.83 -0.77 114.38 118.89 1ia0 h ARG 346 Ca 0.34 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1ia0 h ARG 346 Cb -0.14 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ia0 h ARG 346 CO -0.08 0.93 -0.65 1.88 -1.07 0.00 0.00 179.97 180.99 1ia0 h TYR 347 N 0.52 0.00 -0.02 3.04 -1.99 -0.58 -2.42 116.97 115.51 1ia0 h TYR 347 Ca 0.04 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.62 1ia0 h TYR 347 Cb 0.94 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.65 1ia0 h TYR 347 CO 0.04 0.65 -0.70 0.00 -0.00 0.00 0.00 178.16 178.16 1ia0 h ALA 348 N 1.35 0.79 -0.49 3.88 0.00 -0.78 -2.01 119.26 122.00 1ia0 h ALA 348 Ca -0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1ia0 h ALA 348 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ia0 h ALA 348 CO 0.08 0.83 -0.11 0.22 0.00 0.00 0.00 179.25 180.27 1ia0 h ASP 349 N 0.08 0.91 -0.35 0.00 3.58 -0.95 -2.65 116.42 117.04 1ia0 h ASP 349 Ca -0.01 -0.29 -0.14 0.00 0.42 0.00 0.00 57.03 57.01 1ia0 h ASP 349 Cb 1.24 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1ia0 h ASP 349 CO 0.10 1.03 -0.34 0.03 -2.88 0.00 0.00 179.24 177.18 1ia0 h ARG 350 N 0.82 0.84 -0.47 0.28 3.08 -1.25 -3.11 114.38 114.57 1ia0 h ARG 350 Ca 0.13 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1ia0 h ARG 350 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1ia0 h ARG 350 CO 0.04 1.08 0.29 0.00 -1.07 0.00 0.00 179.97 180.31 1ia0 h ALA 351 N 0.75 1.62 -0.26 0.04 0.00 -1.29 -0.21 119.26 119.92 1ia0 h ALA 351 Ca 0.06 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ia0 h ALA 351 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ia0 h ALA 351 CO 0.08 0.33 0.27 -0.22 0.00 0.00 0.00 179.25 179.71 1ia0 h LYS 352 N 0.64 0.00 -0.00 0.00 3.64 -1.39 -0.19 116.57 119.26 1ia0 h LYS 352 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ia0 h LYS 352 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1ia0 h LYS 352 CO -0.03 0.00 -0.34 1.04 -2.27 0.00 0.00 179.45 177.84 1ia0 n GLN 353 N -3.87 0.17 -2.51 1.90 6.02 -0.09 -4.57 117.38 114.43 1ia0 n GLN 353 Ca 0.03 -0.08 -0.39 0.00 -0.01 0.00 0.00 57.00 56.55 1ia0 n GLN 353 Cb 0.41 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.13 1ia0 n GLN 353 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ia0 s ILE 354 N -2.89 3.59 -0.07 5.09 1.01 -0.08 -4.75 121.20 123.09 1ia0 s ILE 354 Ca 0.15 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1ia0 s ILE 354 Cb 0.18 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1ia0 s ILE 354 CO 0.63 0.25 -0.07 -0.13 0.00 0.00 0.00 174.94 175.62 1ia0 s ARG 355 N -1.80 1.22 0.46 2.79 0.52 -1.26 -1.55 118.95 119.35 1ia0 s ARG 355 Ca 0.49 -0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1ia0 s ARG 355 Cb -0.28 -1.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 1ia0 s ARG 355 CO 0.36 -0.14 0.74 -0.80 0.02 0.00 0.00 175.30 175.48 1ia0 s ASN 356 N 1.26 6.18 -0.64 0.23 0.01 -0.56 -4.73 114.94 116.69 1ia0 s ASN 356 Ca -0.05 0.78 -0.07 0.00 -0.71 0.00 0.00 52.86 52.81 1ia0 s ASN 356 Cb -0.14 -2.11 0.17 0.00 0.41 0.00 0.00 41.25 39.58 1ia0 s ASN 356 CO -0.02 -0.58 0.49 0.42 -1.51 0.00 0.00 177.10 175.90 1ia0 s THR 357 N -2.67 4.23 -2.17 1.60 -4.23 -1.01 -2.35 115.64 109.04 1ia0 s THR 357 Ca 0.47 -2.60 0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1ia0 s THR 357 Cb -0.10 -3.73 0.14 0.00 1.34 0.00 0.00 72.50 70.15 1ia0 s THR 357 CO 0.43 -0.89 1.05 0.52 -0.54 0.00 0.00 174.62 175.19