#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it9 s ILE 2 N 0.00 5.05 -0.22 3.84 1.01 -1.26 -5.02 121.20 124.59 1it9 s ILE 2 Ca 0.00 1.30 -0.08 0.00 0.00 0.00 0.00 60.65 61.87 1it9 s ILE 2 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1it9 s ILE 2 CO 0.00 0.20 0.07 -0.69 0.00 0.00 0.00 174.94 174.52 1it9 s VAL 3 N 1.25 4.58 -0.19 2.92 1.01 -1.26 -4.66 120.40 124.04 1it9 s VAL 3 Ca 0.33 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 1it9 s VAL 3 Cb -0.17 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1it9 s VAL 3 CO 0.14 0.38 0.20 -0.76 0.00 0.00 0.00 175.10 175.06 1it9 s LEU 4 N 1.08 4.20 -0.19 3.92 1.43 -1.26 -1.59 118.68 126.27 1it9 s LEU 4 Ca 0.04 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1it9 s LEU 4 Cb -0.14 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1it9 s LEU 4 CO 0.03 0.12 -0.18 -0.89 0.23 0.00 0.00 176.35 175.66 1it9 s THR 5 N 0.55 2.12 0.09 5.49 2.01 0.29 -4.27 115.64 121.92 1it9 s THR 5 Ca 0.11 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1it9 s THR 5 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1it9 s THR 5 CO 0.01 0.48 0.09 -1.10 -0.69 0.00 0.00 174.62 173.41 1it9 s GLN 6 N 1.28 2.88 -0.09 4.92 -0.21 -1.26 -0.81 119.66 126.38 1it9 s GLN 6 Ca 0.04 -0.72 -0.27 0.00 0.02 0.00 0.00 55.36 54.43 1it9 s GLN 6 Cb -0.14 -2.72 0.06 0.00 1.00 0.00 0.00 33.01 31.22 1it9 s GLN 6 CO -0.12 0.55 0.63 -1.54 -2.12 0.00 0.00 175.29 172.69 1it9 s SER 7 N -2.49 -0.60 0.60 5.90 1.04 -1.09 -4.57 113.70 112.49 1it9 s SER 7 Ca 0.29 0.77 -0.14 0.00 0.48 0.00 0.00 55.95 57.35 1it9 s SER 7 Cb -0.12 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1it9 s SER 7 CO 0.22 -0.51 1.04 -2.16 0.98 0.00 0.00 173.24 172.82 1it9 s PRO 8 N -0.88 3.38 0.19 4.02 0.04 -1.26 -3.10 135.00 137.40 1it9 s PRO 8 Ca -0.09 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 1it9 s PRO 8 Cb -0.02 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.69 1it9 s PRO 8 CO 0.07 -0.75 1.68 0.78 0.04 0.00 0.00 177.00 178.82 1it9 h GLY 9 N 0.22 0.55 -3.71 0.56 0.00 -1.86 -3.42 103.07 95.41 1it9 h GLY 9 Ca -0.46 0.07 -0.47 0.00 0.00 0.00 0.00 47.33 46.47 1it9 h GLY 9 CO 0.58 -0.15 -0.78 -1.59 0.00 0.00 0.00 176.54 174.60 1it9 s THR 10 N -6.16 1.50 -0.20 4.70 2.01 -1.26 -2.11 115.64 114.12 1it9 s THR 10 Ca -0.13 -1.70 -0.04 0.00 0.31 0.00 0.00 61.69 60.13 1it9 s THR 10 Cb 0.17 -1.57 0.09 0.00 0.01 0.00 0.00 72.50 71.20 1it9 s THR 10 CO 0.73 -0.31 0.24 -0.22 -0.69 0.00 0.00 174.62 174.37 1it9 s LEU 11 N -2.35 -0.19 -0.40 4.42 2.96 0.72 -4.90 118.68 118.95 1it9 s LEU 11 Ca 0.09 -0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.78 1it9 s LEU 11 Cb -0.06 0.50 0.02 0.00 0.50 0.00 0.00 46.19 47.14 1it9 s LEU 11 CO 0.04 -0.31 0.27 -0.44 -1.32 0.00 0.00 176.35 174.59 1it9 s SER 12 N 2.36 6.02 0.32 3.68 0.01 -1.26 0.20 113.70 125.03 1it9 s SER 12 Ca 0.07 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 56.50 1it9 s SER 12 Cb -0.15 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 1it9 s SER 12 CO -0.12 -0.42 0.02 -0.76 0.41 0.00 0.00 173.24 172.37 1it9 s LEU 13 N 1.66 2.34 0.17 2.44 1.43 -0.59 -4.54 118.68 121.59 1it9 s LEU 13 Ca 0.04 -1.32 0.05 0.00 -1.03 0.00 0.00 54.13 51.87 1it9 s LEU 13 Cb -0.19 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1it9 s LEU 13 CO 0.09 -0.52 0.18 -0.44 0.23 0.00 0.00 176.35 175.89 1it9 s SER 14 N -3.49 5.71 0.40 2.29 0.01 -1.26 -0.12 113.70 117.23 1it9 s SER 14 Ca 0.34 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.29 1it9 s SER 14 Cb 0.08 -1.55 -0.11 0.00 0.21 0.00 0.00 66.02 64.65 1it9 s SER 14 CO 0.15 0.06 0.94 -2.65 0.41 0.00 0.00 173.24 172.14 1it9 n PRO 15 N -0.46 1.23 0.00 12.44 -0.02 -1.26 -1.12 135.00 145.80 1it9 n PRO 15 Ca -0.08 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1it9 n PRO 15 Cb 0.55 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1it9 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it9 n GLY 16 N 1.28 2.94 3.84 -1.23 0.00 0.29 -4.90 105.19 107.41 1it9 n GLY 16 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1it9 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1it9 s GLU 17 N -0.52 2.57 -0.23 1.61 2.02 -0.28 -4.19 118.70 119.68 1it9 s GLU 17 Ca 0.00 0.61 -0.10 0.00 0.02 0.00 0.00 54.97 55.50 1it9 s GLU 17 Cb 0.00 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 1it9 s GLU 17 CO 0.00 -1.27 0.14 0.50 0.02 0.00 0.00 175.26 174.65 1it9 s ARG 18 N -5.23 4.06 0.14 1.61 3.52 -1.21 0.30 118.95 122.14 1it9 s ARG 18 Ca 0.59 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.96 1it9 s ARG 18 Cb -0.13 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1it9 s ARG 18 CO 0.53 0.11 0.06 0.00 -0.81 0.00 0.00 175.30 175.19 1it9 s ALA 19 N 0.90 3.41 -0.27 6.12 0.00 -0.10 -4.96 121.76 126.85 1it9 s ALA 19 Ca 0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1it9 s ALA 19 Cb -0.13 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 21.89 1it9 s ALA 19 CO 0.03 0.57 0.33 0.99 0.00 0.00 0.00 175.76 177.69 1it9 s THR 20 N -1.60 -0.50 -0.09 0.00 2.01 -1.26 -1.14 115.64 113.06 1it9 s THR 20 Ca 0.29 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1it9 s THR 20 Cb -0.10 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1it9 s THR 20 CO 0.21 -0.31 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.32 1it9 s LEU 21 N 2.45 3.37 0.10 4.42 2.34 -0.53 -4.91 118.68 125.92 1it9 s LEU 21 Ca 0.10 0.03 0.07 0.00 0.06 0.00 0.00 54.13 54.39 1it9 s LEU 21 Cb -0.14 -1.76 -0.04 0.00 -0.56 0.00 0.00 46.19 43.69 1it9 s LEU 21 CO -0.26 0.33 -0.12 -0.94 -1.06 0.00 0.00 176.35 174.30 1it9 s SER 22 N -0.61 4.24 -0.12 1.48 1.04 -1.18 -0.77 113.70 117.78 1it9 s SER 22 Ca 0.10 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1it9 s SER 22 Cb -0.12 -0.76 0.02 0.00 0.10 0.00 0.00 66.02 65.26 1it9 s SER 22 CO 0.02 0.19 -0.12 0.00 0.98 0.00 0.00 173.24 174.30 1it9 s LYS 24 N 1.39 2.96 -0.08 0.00 1.02 0.01 -1.58 119.74 123.47 1it9 s LYS 24 Ca 0.01 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 1it9 s LYS 24 Cb -0.13 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1it9 s LYS 24 CO -0.07 0.53 0.02 0.00 -0.92 0.00 0.00 175.35 174.91 1it9 s ALA 25 N -0.45 3.36 -1.61 5.17 0.00 0.53 -0.55 121.76 128.21 1it9 s ALA 25 Ca 0.06 -0.80 0.15 0.00 0.00 0.00 0.00 51.96 51.37 1it9 s ALA 25 Cb -0.12 -1.52 0.79 0.00 0.00 0.00 0.00 23.12 22.27 1it9 s ALA 25 CO 0.02 0.60 1.38 -1.13 0.00 0.00 0.00 175.76 176.63 1it9 n SER 26 N 2.03 0.00 -3.49 0.00 3.41 -0.62 -4.74 113.62 110.21 1it9 n SER 26 Ca -0.18 -0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.22 1it9 n SER 26 Cb 0.54 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1it9 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1it9 s GLN 27 N -2.39 0.99 0.30 4.33 0.74 -1.26 -4.96 119.66 117.40 1it9 s GLN 27 Ca 0.17 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 1it9 s GLN 27 Cb 0.10 0.46 -0.11 0.00 1.10 0.00 0.00 33.01 34.56 1it9 s GLN 27 CO 0.21 -0.40 1.58 0.45 -0.55 0.00 0.00 175.29 176.58 1it9 s SER 28 N -2.14 6.37 -0.33 6.67 0.15 -1.26 -4.67 113.70 118.49 1it9 s SER 28 Ca -0.00 2.96 0.08 0.00 0.70 0.00 0.00 55.95 59.68 1it9 s SER 28 Cb -0.01 -2.64 0.45 0.00 -1.71 0.00 0.00 66.02 62.12 1it9 s SER 28 CO -0.05 -0.91 1.16 1.33 1.20 0.00 0.00 173.24 175.97 1it9 n VAL 29 N 2.01 2.39 -3.81 4.45 0.24 -0.27 -4.99 118.33 118.34 1it9 n VAL 29 Ca 0.07 -4.31 0.00 0.00 -2.04 0.00 0.00 64.34 58.06 1it9 n VAL 29 Cb 0.38 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 1it9 n VAL 29 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1it9 n ASP 30 N -0.63 1.29 0.00 -1.34 9.92 -1.26 -2.21 116.55 122.32 1it9 n ASP 30 Ca 0.40 -0.81 0.00 0.00 -0.53 0.00 0.00 54.79 53.85 1it9 n ASP 30 Cb 0.88 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.36 1it9 n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1it9 n TYR 31 N 0.00 0.00 -3.91 1.24 9.36 -0.63 -4.95 117.16 118.28 1it9 n TYR 31 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 1it9 n TYR 31 Cb 0.00 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 1it9 n TYR 31 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1it9 n ASP 32 N 0.00 -4.67 0.00 2.98 5.75 -1.26 0.00 116.55 119.35 1it9 n ASP 32 Ca 0.00 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 1it9 n ASP 32 Cb 0.00 -2.29 0.00 0.00 -1.03 0.00 0.00 41.12 37.80 1it9 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1it9 n GLY 33 N -1.92 0.15 3.57 6.12 0.00 -1.26 -4.94 105.19 106.91 1it9 n GLY 33 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1it9 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1it9 s ASP 34 N -2.09 6.09 0.15 1.61 1.11 0.10 -5.08 116.67 118.55 1it9 s ASP 34 Ca 0.00 -0.09 0.06 0.00 0.18 0.00 0.00 52.55 52.69 1it9 s ASP 34 Cb 0.00 -2.15 -0.04 0.00 1.07 0.00 0.00 42.92 41.80 1it9 s ASP 34 CO 0.00 -0.16 0.05 -0.55 1.18 0.00 0.00 175.17 175.68 1it9 s SER 35 N 1.73 5.10 -0.29 0.27 0.15 -1.26 -1.60 113.70 117.79 1it9 s SER 35 Ca 0.09 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 56.60 1it9 s SER 35 Cb -0.16 -1.21 0.47 0.00 -1.71 0.00 0.00 66.02 63.40 1it9 s SER 35 CO 0.11 0.11 1.17 -1.22 1.20 0.00 0.00 173.24 174.60 1it9 n TYR 36 N 0.00 2.44 -4.82 3.44 4.01 -0.94 -4.49 117.16 116.80 1it9 n TYR 36 Ca -0.09 -2.24 -0.32 0.00 -0.16 0.00 0.00 57.90 55.08 1it9 n TYR 36 Cb 0.54 -0.31 -0.16 0.00 -0.31 0.00 0.00 39.34 39.10 1it9 n TYR 36 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1it9 s MET 37 N -3.64 3.07 0.24 -0.72 1.75 -1.26 -1.46 119.30 117.29 1it9 s MET 37 Ca 0.46 -0.84 0.10 0.00 -1.25 0.00 0.00 55.69 54.15 1it9 s MET 37 Cb 0.39 -2.43 -0.05 0.00 2.84 0.00 0.00 34.83 35.59 1it9 s MET 37 CO 0.02 0.06 -0.17 -0.80 -0.65 0.00 0.00 175.02 173.47 1it9 s ASN 38 N 0.66 3.08 0.04 1.11 0.01 0.97 0.65 114.94 121.46 1it9 s ASN 38 Ca -0.11 -1.03 0.07 0.00 -0.71 0.00 0.00 52.86 51.09 1it9 s ASN 38 Cb -0.16 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.25 1it9 s ASN 38 CO 0.02 -0.07 -0.21 0.26 -1.51 0.00 0.00 177.10 175.59 1it9 s TRP 39 N -2.74 1.80 0.12 2.20 0.52 -0.19 0.14 118.94 120.79 1it9 s TRP 39 Ca 0.26 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1it9 s TRP 39 Cb -0.03 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1it9 s TRP 39 CO 0.11 0.09 -0.10 0.71 0.02 0.00 0.00 176.95 177.77 1it9 s TYR 40 N -0.79 1.17 -0.03 -1.98 1.51 0.22 -1.20 117.35 116.24 1it9 s TYR 40 Ca 0.07 -0.71 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 1it9 s TYR 40 Cb -0.09 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1it9 s TYR 40 CO 0.02 0.04 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.16 1it9 s GLN 41 N -3.30 1.88 -0.05 -0.62 0.74 0.35 -0.26 119.66 118.39 1it9 s GLN 41 Ca 0.11 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 1it9 s GLN 41 Cb 0.00 -1.69 0.03 0.00 1.10 0.00 0.00 33.01 32.45 1it9 s GLN 41 CO 0.00 0.35 0.02 -1.14 -0.55 0.00 0.00 175.29 173.97 1it9 s GLN 42 N -0.21 0.31 0.31 1.67 0.74 0.81 0.15 119.66 123.44 1it9 s GLN 42 Ca 0.01 0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.58 1it9 s GLN 42 Cb -0.10 -0.71 -0.04 0.00 1.10 0.00 0.00 33.01 33.25 1it9 s GLN 42 CO 0.01 -0.27 0.55 0.15 -0.55 0.00 0.00 175.29 175.18 1it9 s LYS 43 N 1.82 3.57 0.09 1.67 3.01 -1.26 -1.96 119.74 126.68 1it9 s LYS 43 Ca 0.02 -0.12 -0.36 0.00 -1.01 0.00 0.00 55.97 54.49 1it9 s LYS 43 Cb -0.12 -2.65 -0.17 0.00 -1.01 0.00 0.00 37.83 33.87 1it9 s LYS 43 CO -0.04 0.18 1.30 -2.30 0.51 0.00 0.00 175.35 175.01 1it9 n PRO 44 N -1.26 1.09 -3.84 -1.68 -0.02 -1.26 -1.66 135.00 126.37 1it9 n PRO 44 Ca -0.03 0.39 -0.27 0.00 -2.02 0.00 0.00 63.50 61.57 1it9 n PRO 44 Cb 0.55 -2.01 0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1it9 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it9 n GLY 45 N 2.41 -0.42 3.17 -1.23 0.00 -1.26 -4.98 105.19 102.88 1it9 n GLY 45 Ca 0.18 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 1it9 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1it9 s GLN 46 N -6.41 0.68 0.39 1.61 -0.21 -0.66 -5.15 119.66 109.91 1it9 s GLN 46 Ca 0.43 -0.64 -0.25 0.00 0.02 0.00 0.00 55.36 54.93 1it9 s GLN 46 Cb -0.22 0.28 -0.09 0.00 1.00 0.00 0.00 33.01 33.99 1it9 s GLN 46 CO 0.82 -0.19 1.08 0.00 -2.12 0.00 0.00 175.29 174.88 1it9 s ALA 47 N -2.56 3.12 0.95 6.09 0.00 -1.26 -4.49 121.76 123.61 1it9 s ALA 47 Ca -0.05 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1it9 s ALA 47 Cb -0.01 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1it9 s ALA 47 CO -0.04 -0.29 0.54 -2.30 0.00 0.00 0.00 175.76 173.68 1it9 n PRO 48 N 0.05 -0.39 -4.20 0.00 -0.02 -1.26 -4.70 135.00 124.48 1it9 n PRO 48 Ca 0.04 -0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.23 1it9 n PRO 48 Cb 0.49 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.84 1it9 n PRO 48 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1it9 s ARG 49 N -3.84 1.09 0.16 -0.52 3.52 0.12 -4.92 118.95 114.57 1it9 s ARG 49 Ca 0.59 -0.17 -0.31 0.00 -0.13 0.00 0.00 55.73 55.71 1it9 s ARG 49 Cb -0.21 -1.07 -0.09 0.00 -1.56 0.00 0.00 34.95 32.02 1it9 s ARG 49 CO 0.66 -0.10 1.44 -1.17 -0.81 0.00 0.00 175.30 175.32 1it9 s LEU 50 N 1.05 4.38 -0.04 -0.88 2.96 -1.26 -0.50 118.68 124.39 1it9 s LEU 50 Ca -0.09 2.48 -0.06 0.00 -0.22 0.00 0.00 54.13 56.24 1it9 s LEU 50 Cb -0.14 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1it9 s LEU 50 CO -0.00 -0.70 -0.12 0.18 -1.32 0.00 0.00 176.35 174.38 1it9 n LEU 51 N 3.56 0.99 -4.16 -0.68 4.77 -0.34 -4.84 117.00 116.29 1it9 n LEU 51 Ca 0.11 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 56.04 1it9 n LEU 51 Cb 0.41 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1it9 n LEU 51 CO 0.60 -0.49 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.06 1it9 s ILE 52 N -1.95 1.21 0.10 -0.08 1.01 -1.16 -1.83 121.20 118.50 1it9 s ILE 52 Ca -0.10 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.53 1it9 s ILE 52 Cb 0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 1it9 s ILE 52 CO 0.15 0.02 -0.10 -0.72 0.00 0.00 0.00 174.94 174.29 1it9 s TYR 53 N -0.87 1.09 -1.44 3.97 1.13 -0.53 -1.02 117.35 119.68 1it9 s TYR 53 Ca 0.02 -0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 54.93 1it9 s TYR 53 Cb -0.08 -0.59 0.05 0.00 -1.10 0.00 0.00 41.96 40.23 1it9 s TYR 53 CO 0.01 0.01 1.05 0.00 -2.51 0.00 0.00 175.55 174.11 1it9 n ALA 54 N 0.57 -1.38 0.00 9.51 0.00 -1.15 -1.07 120.51 126.99 1it9 n ALA 54 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1it9 n ALA 54 Cb 0.58 -4.64 0.00 0.00 0.00 0.00 0.00 19.45 15.38 1it9 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1it9 n ALA 55 N -4.77 0.00 -1.73 0.00 0.00 0.21 -4.25 120.51 109.97 1it9 n ALA 55 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1it9 n ALA 55 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1it9 n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1it9 n SER 56 N 0.19 0.00 -4.55 0.00 3.41 -1.16 -3.65 113.62 107.87 1it9 n SER 56 Ca 0.00 -1.21 -0.40 0.00 -0.26 0.00 0.00 58.87 57.01 1it9 n SER 56 Cb 0.00 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 1it9 n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1it9 s ASN 57 N -0.21 6.04 0.43 4.04 0.01 -0.23 -4.72 114.94 120.30 1it9 s ASN 57 Ca 0.00 -0.29 -0.25 0.00 -0.71 0.00 0.00 52.86 51.61 1it9 s ASN 57 Cb 0.00 -2.13 -0.08 0.00 0.41 0.00 0.00 41.25 39.45 1it9 s ASN 57 CO 0.00 -0.17 1.30 -0.76 -1.51 0.00 0.00 177.10 175.96 1it9 s LEU 58 N 1.73 4.14 0.30 0.60 1.02 -1.26 -1.46 118.68 123.76 1it9 s LEU 58 Ca 0.06 2.64 -0.02 0.00 0.02 0.00 0.00 54.13 56.83 1it9 s LEU 58 Cb -0.17 -3.99 -0.04 0.00 0.02 0.00 0.00 46.19 42.01 1it9 s LEU 58 CO 0.11 -0.96 0.53 -0.70 0.02 0.00 0.00 176.35 175.35 1it9 s GLU 59 N -2.39 3.56 0.27 1.70 2.56 -0.76 -4.90 118.70 118.75 1it9 s GLU 59 Ca 0.60 -0.17 -0.31 0.00 0.00 0.00 0.00 54.97 55.09 1it9 s GLU 59 Cb -0.37 -2.68 -0.12 0.00 2.00 0.00 0.00 34.13 32.96 1it9 s GLU 59 CO 0.47 0.21 1.56 0.43 -0.56 0.00 0.00 175.26 177.38 1it9 n SER 60 N -1.23 3.60 0.00 -1.70 7.64 -1.26 -2.01 113.62 118.66 1it9 n SER 60 Ca -0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1it9 n SER 60 Cb 0.55 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1it9 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1it9 n GLY 61 N 2.33 0.93 3.59 0.23 0.00 -1.26 -5.03 105.19 105.98 1it9 n GLY 61 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1it9 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1it9 s ILE 62 N -2.94 5.03 1.06 -0.61 -1.09 -0.85 -5.05 121.20 116.74 1it9 s ILE 62 Ca 0.00 0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 58.84 1it9 s ILE 62 Cb 0.00 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1it9 s ILE 62 CO 0.00 -0.09 -0.21 -2.65 -1.23 0.00 0.00 174.94 170.76 1it9 n PRO 63 N 5.69 -0.97 0.00 2.79 -0.02 -1.26 -4.84 135.00 136.39 1it9 n PRO 63 Ca -0.04 -0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.31 1it9 n PRO 63 Cb 0.49 -1.58 0.57 0.00 -0.02 0.00 0.00 33.50 32.96 1it9 n PRO 63 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1it9 n ASP 64 N -0.45 0.08 0.20 2.55 8.00 -1.26 -3.42 116.55 122.25 1it9 n ASP 64 Ca 0.01 0.41 0.14 0.00 0.71 0.00 0.00 54.79 56.07 1it9 n ASP 64 Cb 0.62 -0.42 0.54 0.00 -0.02 0.00 0.00 41.12 41.84 1it9 n ASP 64 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1it9 h ARG 65 N 0.00 0.00 -6.41 -1.24 0.11 -1.94 -3.43 114.38 101.46 1it9 h ARG 65 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1it9 h ARG 65 Cb 0.51 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.55 1it9 h ARG 65 CO 0.00 0.00 -0.02 -0.06 0.10 0.00 0.00 179.97 179.99 1it9 s PHE 66 N -3.44 3.61 -0.27 4.08 0.08 -1.22 -1.94 117.98 118.87 1it9 s PHE 66 Ca 0.04 1.17 -0.24 0.00 0.12 0.00 0.00 56.93 58.02 1it9 s PHE 66 Cb 0.09 -2.45 0.09 0.00 -0.57 0.00 0.00 43.02 40.18 1it9 s PHE 66 CO 0.50 0.39 0.80 -1.54 -0.10 0.00 0.00 175.22 175.27 1it9 s SER 67 N -1.72 -0.69 -0.05 1.36 1.04 -0.85 -5.00 113.70 107.78 1it9 s SER 67 Ca 0.40 1.30 0.07 0.00 0.48 0.00 0.00 55.95 58.20 1it9 s SER 67 Cb -0.15 1.31 -0.01 0.00 0.10 0.00 0.00 66.02 67.27 1it9 s SER 67 CO 0.20 -0.22 -0.25 -0.83 0.98 0.00 0.00 173.24 173.11 1it9 s GLY 68 N 0.52 1.29 0.11 7.32 0.00 -1.26 -0.71 107.32 114.59 1it9 s GLY 68 Ca -0.01 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1it9 s GLY 68 CO -0.04 -0.72 0.03 -1.14 0.00 0.00 0.00 173.10 171.23 1it9 n SER 69 N 2.81 1.38 0.00 1.64 3.41 0.13 -4.23 113.62 118.75 1it9 n SER 69 Ca -0.17 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1it9 n SER 69 Cb 0.52 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1it9 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1it9 n GLY 70 N 2.08 3.50 3.56 5.00 0.00 -1.26 -2.32 105.19 115.73 1it9 n GLY 70 Ca -0.02 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 1it9 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1it9 s SER 71 N 0.00 -0.65 0.00 1.61 0.01 0.64 -4.93 113.70 110.38 1it9 s SER 71 Ca 0.00 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1it9 s SER 71 Cb 0.00 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1it9 s SER 71 CO 0.00 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1it9 n GLY 72 N 1.37 0.24 0.00 3.44 0.00 -1.26 -1.74 105.19 107.24 1it9 n GLY 72 Ca -0.17 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1it9 n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1it9 n THR 73 N 0.00 0.00 -4.11 2.61 -2.24 -1.26 -1.12 114.28 108.16 1it9 n THR 73 Ca 0.00 -0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 1it9 n THR 73 Cb 0.00 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.05 1it9 n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1it9 s ASP 74 N -0.66 4.34 0.07 3.42 -0.00 -0.71 -0.35 116.67 122.77 1it9 s ASP 74 Ca 0.00 -0.34 0.03 0.00 -0.00 0.00 0.00 52.55 52.24 1it9 s ASP 74 Cb 0.00 -1.73 -0.03 0.00 -0.00 0.00 0.00 42.92 41.16 1it9 s ASP 74 CO 0.00 0.03 -0.09 -0.36 -0.00 0.00 0.00 175.17 174.75 1it9 s PHE 75 N 1.15 0.87 -0.07 4.23 0.40 -0.61 -0.26 117.98 123.69 1it9 s PHE 75 Ca 0.02 -0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 55.68 1it9 s PHE 75 Cb -0.14 -0.50 0.02 0.00 0.51 0.00 0.00 43.02 42.91 1it9 s PHE 75 CO -0.01 -0.05 0.22 0.95 0.70 0.00 0.00 175.22 177.03 1it9 s THR 76 N -1.93 0.01 -0.08 0.64 -4.23 -0.98 -0.27 115.64 108.80 1it9 s THR 76 Ca -0.02 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1it9 s THR 76 Cb -0.06 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 1it9 s THR 76 CO -0.00 -0.06 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.76 1it9 s LEU 77 N -0.15 3.36 0.03 4.79 2.96 0.05 -0.69 118.68 129.04 1it9 s LEU 77 Ca -0.03 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1it9 s LEU 77 Cb -0.03 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1it9 s LEU 77 CO 0.01 0.35 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.38 1it9 s THR 78 N -0.74 0.96 -0.29 3.68 2.01 0.12 -1.45 115.64 119.93 1it9 s THR 78 Ca 0.11 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1it9 s THR 78 Cb -0.11 -0.88 0.09 0.00 0.01 0.00 0.00 72.50 71.61 1it9 s THR 78 CO 0.02 -0.02 0.04 -0.63 -0.69 0.00 0.00 174.62 173.34 1it9 s ILE 79 N -0.81 1.49 0.23 1.82 1.01 -0.29 -2.01 121.20 122.65 1it9 s ILE 79 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 58.94 1it9 s ILE 79 Cb -0.07 -2.00 0.28 0.00 0.01 0.00 0.00 42.46 40.67 1it9 s ILE 79 CO 0.01 -0.47 1.62 0.77 0.00 0.00 0.00 174.94 176.88 1it9 h SER 80 N 7.91 -0.50 -3.55 3.58 4.64 -1.65 -0.25 113.55 123.73 1it9 h SER 80 Ca -0.12 0.20 -0.31 0.00 -0.47 0.00 0.00 61.79 61.09 1it9 h SER 80 Cb 1.04 0.39 -0.33 0.00 -0.31 0.00 0.00 62.40 63.19 1it9 h SER 80 CO 0.46 -0.21 -0.74 -0.60 -0.87 0.00 0.00 176.83 174.88 1it9 s ARG 81 N -6.18 0.11 -0.37 4.77 3.52 -1.25 -3.29 118.95 116.27 1it9 s ARG 81 Ca -0.14 0.11 -0.24 0.00 -0.13 0.00 0.00 55.73 55.33 1it9 s ARG 81 Cb 0.22 -0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.30 1it9 s ARG 81 CO 0.75 -0.13 0.85 -0.51 -0.81 0.00 0.00 175.30 175.45 1it9 s LEU 82 N 0.89 4.07 0.21 -0.88 1.43 0.15 -4.86 118.68 119.70 1it9 s LEU 82 Ca -0.08 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1it9 s LEU 82 Cb -0.11 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1it9 s LEU 82 CO -0.02 -0.80 0.42 -1.61 0.23 0.00 0.00 176.35 174.57 1it9 s GLU 83 N 3.28 3.57 0.43 1.70 0.41 -1.26 -0.55 118.70 126.28 1it9 s GLU 83 Ca 0.34 -0.20 0.28 0.00 -0.41 0.00 0.00 54.97 54.99 1it9 s GLU 83 Cb -0.13 -2.80 1.39 0.00 -1.78 0.00 0.00 34.13 30.82 1it9 s GLU 83 CO 0.18 0.38 1.62 -1.00 -0.49 0.00 0.00 175.26 175.95 1it9 h PRO 84 N 2.14 0.10 0.00 0.39 0.13 -2.00 0.68 132.00 133.43 1it9 h PRO 84 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1it9 h PRO 84 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1it9 h PRO 84 CO 0.69 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 1it9 n GLU 85 N -4.76 0.15 0.15 0.86 0.00 -1.26 -3.45 120.64 112.33 1it9 n GLU 85 Ca 0.37 0.02 0.12 0.00 0.00 0.00 0.00 57.16 57.67 1it9 n GLU 85 Cb 1.38 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 31.49 1it9 n GLU 85 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1it9 h ASP 86 N 0.00 0.00 -3.01 -1.84 3.32 0.00 -3.44 116.42 111.44 1it9 h ASP 86 Ca 0.00 -0.03 -0.57 0.00 0.02 0.00 0.00 57.03 56.46 1it9 h ASP 86 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1it9 h ASP 86 CO 0.00 0.01 1.05 -0.36 -1.72 0.00 0.00 179.24 178.23 1it9 s PHE 87 N -3.22 2.41 0.00 4.55 0.40 -1.22 -4.84 117.98 116.05 1it9 s PHE 87 Ca 0.06 0.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 1it9 s PHE 87 Cb 0.08 -4.00 0.00 0.00 0.51 0.00 0.00 43.02 39.61 1it9 s PHE 87 CO 0.69 -2.23 0.00 0.00 0.70 0.00 0.00 175.22 174.39 1it9 n ALA 88 N 8.20 0.00 -2.64 5.36 0.00 -1.24 -4.98 120.51 125.21 1it9 n ALA 88 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1it9 n ALA 88 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 1it9 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1it9 s VAL 89 N -1.81 3.52 -0.05 0.00 1.01 -0.83 -1.53 120.40 120.70 1it9 s VAL 89 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1it9 s VAL 89 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1it9 s VAL 89 CO 0.00 0.58 -0.18 -0.31 0.00 0.00 0.00 175.10 175.20 1it9 s TYR 90 N -0.58 2.62 -0.06 5.22 1.51 -0.98 -0.13 117.35 124.94 1it9 s TYR 90 Ca 0.08 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1it9 s TYR 90 Cb -0.12 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1it9 s TYR 90 CO 0.02 0.06 -0.16 0.71 -1.11 0.00 0.00 175.55 175.07 1it9 s TYR 91 N -0.53 1.68 0.08 2.71 1.51 0.64 -2.00 117.35 121.44 1it9 s TYR 91 Ca 0.07 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1it9 s TYR 91 Cb -0.11 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1it9 s TYR 91 CO 0.01 -0.24 0.22 0.00 -1.11 0.00 0.00 175.55 174.43 1it9 s GLN 93 N -2.67 0.32 0.09 0.00 -0.44 0.38 -1.66 119.66 115.68 1it9 s GLN 93 Ca 0.34 0.13 0.03 0.00 -2.50 0.00 0.00 55.36 53.37 1it9 s GLN 93 Cb -0.12 0.15 -0.04 0.00 -1.64 0.00 0.00 33.01 31.36 1it9 s GLN 93 CO 0.28 -0.06 0.12 -1.14 0.50 0.00 0.00 175.29 174.99 1it9 s GLN 94 N -0.27 3.00 0.00 1.67 -0.44 -0.90 -0.02 119.66 122.70 1it9 s GLN 94 Ca -0.04 -0.68 0.23 0.00 -2.50 0.00 0.00 55.36 52.37 1it9 s GLN 94 Cb -0.03 -2.77 0.37 0.00 -1.64 0.00 0.00 33.01 28.94 1it9 s GLN 94 CO 0.01 0.56 1.15 0.43 0.50 0.00 0.00 175.29 177.93 1it9 n SER 95 N 0.25 0.77 0.01 6.67 7.64 -0.53 -3.82 113.62 124.61 1it9 n SER 95 Ca -0.08 -2.00 -0.15 0.00 1.01 0.00 0.00 58.87 57.65 1it9 n SER 95 Cb 0.52 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 1it9 n SER 95 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1it9 h ASN 96 N 0.87 0.25 -4.71 6.43 -0.73 -1.91 -3.48 115.58 112.30 1it9 h ASN 96 Ca -0.26 -0.49 -0.26 0.00 1.87 0.00 0.00 56.30 57.17 1it9 h ASN 96 Cb 1.83 -0.08 -0.22 0.00 0.27 0.00 0.00 38.32 40.12 1it9 h ASN 96 CO 0.06 1.43 -0.73 -1.61 -0.37 0.00 0.00 177.43 176.21 1it9 s GLU 97 N -2.59 0.48 0.04 6.67 2.02 -1.26 -5.12 118.70 118.93 1it9 s GLU 97 Ca -0.12 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.03 1it9 s GLU 97 Cb 0.07 -0.23 -0.06 0.00 0.10 0.00 0.00 34.13 34.01 1it9 s GLU 97 CO 0.81 0.04 0.48 -0.51 0.02 0.00 0.00 175.26 176.10 1it9 s ASP 98 N -1.41 6.91 0.56 -0.19 -0.00 -1.26 -3.38 116.67 117.89 1it9 s ASP 98 Ca -0.10 1.08 -0.16 0.00 -0.00 0.00 0.00 52.55 53.37 1it9 s ASP 98 Cb -0.09 -2.29 -0.06 0.00 -0.00 0.00 0.00 42.92 40.48 1it9 s ASP 98 CO 0.00 0.28 1.03 -2.16 -0.00 0.00 0.00 175.17 174.32 1it9 s PRO 99 N -1.19 3.61 0.20 8.23 0.04 -1.26 -4.85 135.00 139.78 1it9 s PRO 99 Ca 0.27 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1it9 s PRO 99 Cb -0.18 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1it9 s PRO 99 CO 0.16 -0.56 1.11 1.03 0.04 0.00 0.00 177.00 178.78 1it9 s ARG 100 N -4.04 4.59 0.13 4.56 0.52 -1.22 -4.65 118.95 118.84 1it9 s ARG 100 Ca 0.62 1.76 0.09 0.00 -0.52 0.00 0.00 55.73 57.68 1it9 s ARG 100 Cb -0.13 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 1it9 s ARG 100 CO 0.34 0.09 -0.22 0.95 0.02 0.00 0.00 175.30 176.48 1it9 s THR 101 N -0.45 1.89 0.57 0.02 -4.23 -1.25 -5.02 115.64 107.17 1it9 s THR 101 Ca 0.49 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1it9 s THR 101 Cb -0.30 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 71.86 1it9 s THR 101 CO 0.37 -0.09 0.58 0.49 -0.54 0.00 0.00 174.62 175.42 1it9 n PHE 102 N 0.82 -1.25 -3.42 3.99 3.01 -1.26 -2.11 117.46 117.23 1it9 n PHE 102 Ca -0.17 -2.28 -0.19 0.00 1.01 0.00 0.00 57.45 55.81 1it9 n PHE 102 Cb 0.54 -0.50 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 1it9 n PHE 102 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1it9 s GLY 103 N -4.44 1.87 0.49 1.37 0.00 -0.67 -4.38 107.32 101.56 1it9 s GLY 103 Ca 0.44 -1.66 0.26 0.00 0.00 0.00 0.00 44.72 43.76 1it9 s GLY 103 CO 0.28 -1.53 1.98 0.06 0.00 0.00 0.00 173.10 173.89 1it9 h GLN 104 N 0.92 0.00 0.00 2.90 3.07 -1.91 -3.45 115.11 116.64 1it9 h GLN 104 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1it9 h GLN 104 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1it9 h GLN 104 CO 0.53 0.16 0.00 0.41 0.09 0.00 0.00 178.83 180.02 1it9 n GLY 105 N -0.38 2.38 2.68 0.06 0.00 -1.26 -5.05 105.19 103.63 1it9 n GLY 105 Ca -0.01 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.92 1it9 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it9 s THR 106 N -2.56 0.15 -0.33 2.61 2.01 -0.85 -4.76 115.64 111.92 1it9 s THR 106 Ca 0.00 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 1it9 s THR 106 Cb 0.00 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1it9 s THR 106 CO 0.00 -0.08 0.81 -0.75 -0.69 0.00 0.00 174.62 173.90 1it9 s LYS 107 N 2.04 3.89 -0.34 4.92 2.20 -0.90 -2.32 119.74 129.23 1it9 s LYS 107 Ca 0.02 0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 55.93 1it9 s LYS 107 Cb -0.15 -3.76 -0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1it9 s LYS 107 CO -0.07 -0.77 0.67 -0.51 -0.36 0.00 0.00 175.35 174.32 1it9 s LEU 108 N 3.07 4.18 0.20 5.43 1.43 -0.58 -0.20 118.68 132.21 1it9 s LEU 108 Ca 0.33 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1it9 s LEU 108 Cb -0.14 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1it9 s LEU 108 CO 0.15 -0.58 0.07 -0.70 0.23 0.00 0.00 176.35 175.51 1it9 s GLU 109 N 2.77 2.63 -0.63 1.70 2.12 0.13 -3.59 118.70 123.82 1it9 s GLU 109 Ca 0.27 -1.07 -0.25 0.00 0.36 0.00 0.00 54.97 54.28 1it9 s GLU 109 Cb -0.14 -2.45 0.05 0.00 0.26 0.00 0.00 34.13 31.84 1it9 s GLU 109 CO 0.14 0.44 1.06 0.42 -0.54 0.00 0.00 175.26 176.78 1it9 s ILE 110 N -1.88 4.17 0.09 -3.70 1.01 -1.26 -1.54 121.20 118.08 1it9 s ILE 110 Ca 0.30 0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.81 1it9 s ILE 110 Cb -0.09 -4.70 -0.07 0.00 0.01 0.00 0.00 42.46 37.61 1it9 s ILE 110 CO 0.21 -1.43 1.31 -0.75 0.00 0.00 0.00 174.94 174.28 1it9 s LYS 111 N 4.52 4.36 0.00 2.79 2.20 0.83 -4.87 119.74 129.57 1it9 s LYS 111 Ca 0.30 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1it9 s LYS 111 Cb -0.12 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1it9 s LYS 111 CO 0.16 -0.37 0.00 2.89 -0.36 0.00 0.00 175.35 177.67 1it9 n ARG 112 N 4.00 1.04 -3.55 4.03 1.85 -1.26 -4.41 116.66 118.35 1it9 n ARG 112 Ca 0.10 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.59 1it9 n ARG 112 Cb 0.44 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.78 1it9 n ARG 112 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1it9 s THR 113 N 0.12 5.31 0.16 8.89 -4.23 -1.26 -5.04 115.64 119.59 1it9 s THR 113 Ca 0.00 0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 60.74 1it9 s THR 113 Cb 0.00 -3.62 -0.16 0.00 1.34 0.00 0.00 72.50 70.06 1it9 s THR 113 CO 0.00 0.37 0.54 0.52 -0.54 0.00 0.00 174.62 175.51 1it9 n VAL 114 N 3.71 1.64 -3.70 2.29 0.31 -1.26 -4.81 118.33 116.51 1it9 n VAL 114 Ca -0.12 -0.41 -0.17 0.00 -0.01 0.00 0.00 64.34 63.62 1it9 n VAL 114 Cb 0.52 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.28 1it9 n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1it9 s ALA 115 N -0.82 0.05 0.13 3.52 0.00 -0.95 -4.92 121.76 118.76 1it9 s ALA 115 Ca 0.62 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1it9 s ALA 115 Cb -0.89 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1it9 s ALA 115 CO 0.52 -0.38 1.38 0.00 0.00 0.00 0.00 175.76 177.28 1it9 s ALA 116 N 1.84 3.58 0.26 0.00 0.00 -1.26 -2.47 121.76 123.70 1it9 s ALA 116 Ca -0.00 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 1it9 s ALA 116 Cb -0.12 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1it9 s ALA 116 CO -0.04 -0.60 1.16 -1.25 0.00 0.00 0.00 175.76 175.02 1it9 s PRO 117 N 0.92 4.56 -0.35 0.00 0.04 -1.26 -4.76 135.00 134.14 1it9 s PRO 117 Ca 0.63 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 63.30 1it9 s PRO 117 Cb -0.37 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1it9 s PRO 117 CO 0.31 0.07 0.94 -1.12 0.04 0.00 0.00 177.00 177.24 1it9 s SER 118 N -0.53 6.72 0.06 6.66 0.01 -1.06 -4.83 113.70 120.72 1it9 s SER 118 Ca 0.47 0.67 -0.12 0.00 1.31 0.00 0.00 55.95 58.29 1it9 s SER 118 Cb -0.33 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.37 1it9 s SER 118 CO 0.42 -0.84 0.41 -0.69 0.41 0.00 0.00 173.24 172.95 1it9 s VAL 119 N 3.45 5.06 0.01 3.43 1.01 -1.26 -0.51 120.40 131.59 1it9 s VAL 119 Ca 0.39 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1it9 s VAL 119 Cb -0.12 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1it9 s VAL 119 CO 0.17 0.38 0.20 -0.36 0.00 0.00 0.00 175.10 175.50 1it9 s PHE 120 N -1.30 -0.01 0.09 5.22 0.40 -0.77 -4.95 117.98 116.66 1it9 s PHE 120 Ca 0.30 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.60 1it9 s PHE 120 Cb -0.15 -0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 1it9 s PHE 120 CO 0.16 -0.36 -0.12 -1.50 0.70 0.00 0.00 175.22 174.10 1it9 s ILE 121 N -1.77 1.06 -0.03 0.64 2.07 -1.26 0.12 121.20 122.03 1it9 s ILE 121 Ca -0.11 -1.55 -0.01 0.00 -1.41 0.00 0.00 60.65 57.57 1it9 s ILE 121 Cb -0.05 -1.29 0.03 0.00 0.13 0.00 0.00 42.46 41.28 1it9 s ILE 121 CO 0.00 -0.43 0.06 -0.36 -1.91 0.00 0.00 174.94 172.30 1it9 s PHE 122 N -2.02 0.03 0.55 3.50 0.08 0.16 -4.95 117.98 115.32 1it9 s PHE 122 Ca 0.04 0.23 -0.16 0.00 0.12 0.00 0.00 56.93 57.15 1it9 s PHE 122 Cb -0.06 -0.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.98 1it9 s PHE 122 CO 0.01 -0.15 1.02 -1.25 -0.10 0.00 0.00 175.22 174.75 1it9 s PRO 123 N 1.69 3.68 0.11 0.24 0.04 -1.26 -2.93 135.00 136.57 1it9 s PRO 123 Ca -0.01 1.08 -0.34 0.00 0.04 0.00 0.00 61.00 61.77 1it9 s PRO 123 Cb -0.12 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 1it9 s PRO 123 CO -0.03 -0.50 1.66 -2.30 0.04 0.00 0.00 177.00 175.86 1it9 n PRO 124 N -1.73 2.20 -0.33 0.56 -0.02 -1.26 -4.95 135.00 129.47 1it9 n PRO 124 Ca 0.08 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 1it9 n PRO 124 Cb 0.53 -2.59 0.28 0.00 -0.02 0.00 0.00 33.50 31.71 1it9 n PRO 124 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1it9 n SER 125 N 4.21 -3.25 -0.04 2.55 2.88 -1.26 -4.85 113.62 113.86 1it9 n SER 125 Ca 0.18 -0.59 -0.16 0.00 -1.33 0.00 0.00 58.87 56.96 1it9 n SER 125 Cb 0.29 -1.10 -0.13 0.00 -0.75 0.00 0.00 64.21 62.52 1it9 n SER 125 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1it9 h ASP 126 N -3.28 0.14 -0.97 -3.46 5.19 -1.98 -3.06 116.42 109.00 1it9 h ASP 126 Ca -0.50 -0.95 0.17 0.00 -0.62 0.00 0.00 57.03 55.14 1it9 h ASP 126 Cb 1.33 -0.04 -0.09 0.00 0.18 0.00 0.00 39.33 40.71 1it9 h ASP 126 CO 0.35 1.16 0.61 -0.33 -3.12 0.00 0.00 179.24 177.91 1it9 h GLU 127 N -0.81 0.71 -0.55 3.56 5.08 -2.00 0.13 114.58 120.71 1it9 h GLU 127 Ca -0.07 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1it9 h GLU 127 Cb 1.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1it9 h GLU 127 CO 0.03 0.47 -0.09 0.37 -1.00 0.00 0.00 179.01 178.79 1it9 h GLN 128 N 0.74 1.02 0.00 2.33 4.15 -1.87 -1.60 115.11 119.88 1it9 h GLN 128 Ca 0.52 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1it9 h GLN 128 Cb 0.84 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1it9 h GLN 128 CO -0.29 1.06 0.00 1.28 -1.93 0.00 0.00 178.83 178.94 1it9 n LEU 129 N -4.15 0.00 -0.10 -2.39 4.77 0.39 -1.92 117.00 113.61 1it9 n LEU 129 Ca 0.02 0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1it9 n LEU 129 Cb 0.39 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1it9 n LEU 129 CO 0.45 -0.08 -1.00 0.29 -1.33 0.00 0.00 177.39 175.72 1it9 n LYS 130 N -1.14 0.63 0.05 3.23 4.01 -0.64 -4.08 118.16 120.22 1it9 n LYS 130 Ca 0.09 0.35 0.04 0.00 -0.51 0.00 0.00 58.31 58.28 1it9 n LYS 130 Cb 0.08 -1.62 0.21 0.00 -0.51 0.00 0.00 35.03 33.18 1it9 n LYS 130 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1it9 n SER 131 N -3.98 0.18 0.00 4.39 3.41 -0.81 -4.82 113.62 111.99 1it9 n SER 131 Ca -0.41 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1it9 n SER 131 Cb 0.87 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1it9 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1it9 n GLY 132 N -1.21 0.54 3.48 5.00 0.00 -1.12 -5.06 105.19 106.82 1it9 n GLY 132 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1it9 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1it9 s THR 133 N -2.13 2.06 -0.04 2.61 -4.23 -1.16 -0.58 115.64 112.17 1it9 s THR 133 Ca 0.00 -2.22 -0.01 0.00 -1.18 0.00 0.00 61.69 58.27 1it9 s THR 133 Cb 0.00 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1it9 s THR 133 CO 0.00 -0.30 0.07 0.00 -0.54 0.00 0.00 174.62 173.85 1it9 s ALA 134 N -2.74 0.08 -0.22 3.99 0.00 -0.18 -3.66 121.76 119.02 1it9 s ALA 134 Ca 0.30 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1it9 s ALA 134 Cb 0.01 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1it9 s ALA 134 CO 0.14 -0.32 -0.11 -1.54 0.00 0.00 0.00 175.76 173.93 1it9 s SER 135 N 1.67 3.73 -0.34 0.00 1.04 -1.26 -0.52 113.70 118.02 1it9 s SER 135 Ca -0.02 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.23 1it9 s SER 135 Cb -0.12 -1.35 -0.02 0.00 0.10 0.00 0.00 66.02 64.63 1it9 s SER 135 CO -0.04 -0.15 0.29 -0.69 0.98 0.00 0.00 173.24 173.63 1it9 s VAL 136 N 1.30 5.24 -0.13 5.02 1.01 -0.15 -4.30 120.40 128.38 1it9 s VAL 136 Ca -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1it9 s VAL 136 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1it9 s VAL 136 CO -0.08 -0.03 0.17 -0.69 0.00 0.00 0.00 175.10 174.48 1it9 s VAL 137 N 1.86 5.43 -0.27 2.92 1.01 -1.15 -1.85 120.40 128.35 1it9 s VAL 137 Ca 0.09 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1it9 s VAL 137 Cb -0.17 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1it9 s VAL 137 CO 0.11 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.76 1it9 s LEU 139 N 1.27 3.32 -0.41 0.00 2.96 0.33 -3.17 118.68 122.98 1it9 s LEU 139 Ca -0.00 1.66 0.04 0.00 -0.22 0.00 0.00 54.13 55.61 1it9 s LEU 139 Cb -0.19 -4.51 0.16 0.00 0.50 0.00 0.00 46.19 42.16 1it9 s LEU 139 CO -0.09 -1.20 0.40 -0.76 -1.32 0.00 0.00 176.35 173.38 1it9 s LEU 140 N -4.98 0.40 0.66 -0.68 1.02 -0.11 -1.84 118.68 113.16 1it9 s LEU 140 Ca 0.60 -2.25 -0.14 0.00 0.02 0.00 0.00 54.13 52.36 1it9 s LEU 140 Cb -0.14 0.27 -0.00 0.00 0.02 0.00 0.00 46.19 46.34 1it9 s LEU 140 CO 0.46 -0.20 1.08 0.21 0.02 0.00 0.00 176.35 177.92 1it9 s ASN 141 N 0.78 5.26 0.00 2.29 2.47 0.33 -1.68 114.94 124.39 1it9 s ASN 141 Ca 0.25 1.86 0.00 0.00 0.42 0.00 0.00 52.86 55.39 1it9 s ASN 141 Cb -0.07 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1it9 s ASN 141 CO -0.09 -1.52 0.00 0.59 -3.72 0.00 0.00 177.10 172.36 1it9 n ASN 142 N -2.57 0.00 -4.15 -4.21 4.13 -0.98 -2.57 115.26 104.91 1it9 n ASN 142 Ca 0.09 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.24 1it9 n ASN 142 Cb 0.53 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.66 1it9 n ASN 142 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1it9 s PHE 143 N 0.00 0.83 -0.14 3.10 -0.12 -0.25 -4.48 117.98 116.93 1it9 s PHE 143 Ca 0.00 -0.85 -0.12 0.00 -0.05 0.00 0.00 56.93 55.91 1it9 s PHE 143 Cb 0.00 -0.49 0.04 0.00 -0.63 0.00 0.00 43.02 41.94 1it9 s PHE 143 CO 0.00 -0.15 0.37 -0.47 -0.05 0.00 0.00 175.22 174.92 1it9 s TYR 144 N -3.27 -0.43 0.00 3.49 5.04 -1.03 -1.54 117.35 119.61 1it9 s TYR 144 Ca 0.08 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1it9 s TYR 144 Cb 0.03 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1it9 s TYR 144 CO -0.04 -0.22 0.00 -2.30 -1.34 0.00 0.00 175.55 171.65 1it9 n PRO 145 N 3.14 1.43 0.07 4.97 -0.02 -1.26 -2.24 135.00 141.10 1it9 n PRO 145 Ca -0.15 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.41 1it9 n PRO 145 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.01 1it9 n PRO 145 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1it9 n ARG 146 N 0.00 0.62 -2.09 -0.52 0.63 -1.26 -4.84 116.66 109.20 1it9 n ARG 146 Ca 0.00 0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.62 1it9 n ARG 146 Cb 0.00 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 31.10 1it9 n ARG 146 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1it9 s GLU 147 N -3.23 3.77 0.29 -0.14 8.01 -1.26 -4.95 118.70 121.19 1it9 s GLU 147 Ca -0.02 1.67 -0.03 0.00 0.01 0.00 0.00 54.97 56.60 1it9 s GLU 147 Cb 0.10 -4.05 0.01 0.00 -4.31 0.00 0.00 34.13 25.88 1it9 s GLU 147 CO 0.81 -1.32 0.43 0.00 0.01 0.00 0.00 175.26 175.18 1it9 n ALA 148 N 8.56 -0.42 -3.38 5.21 0.00 -1.26 -4.68 120.51 124.54 1it9 n ALA 148 Ca 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1it9 n ALA 148 Cb 0.45 1.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.90 1it9 n ALA 148 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1it9 s LYS 149 N -2.58 0.54 -0.12 0.00 2.20 -0.98 -4.95 119.74 113.85 1it9 s LYS 149 Ca 0.22 1.14 -0.11 0.00 -0.36 0.00 0.00 55.97 56.86 1it9 s LYS 149 Cb -0.01 0.58 -0.05 0.00 -1.51 0.00 0.00 37.83 36.84 1it9 s LYS 149 CO 0.16 -0.45 0.25 0.08 -0.36 0.00 0.00 175.35 175.03 1it9 s VAL 150 N 2.84 5.32 -0.16 4.02 1.01 -1.26 -1.15 120.40 131.02 1it9 s VAL 150 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1it9 s VAL 150 Cb -0.14 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1it9 s VAL 150 CO -0.19 0.51 -0.13 -1.58 0.00 0.00 0.00 175.10 173.71 1it9 s GLN 151 N -0.38 2.22 -0.13 2.72 0.74 0.33 -4.92 119.66 120.24 1it9 s GLN 151 Ca 0.16 -0.65 -0.22 0.00 0.05 0.00 0.00 55.36 54.70 1it9 s GLN 151 Cb -0.13 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.74 1it9 s GLN 151 CO 0.05 -0.30 0.68 -1.58 -0.55 0.00 0.00 175.29 173.60 1it9 s TRP 152 N 1.46 3.48 -0.28 1.67 0.52 -1.26 0.70 118.94 125.22 1it9 s TRP 152 Ca 0.03 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.27 1it9 s TRP 152 Cb -0.14 -2.82 0.08 0.00 -1.15 0.00 0.00 33.47 29.45 1it9 s TRP 152 CO -0.10 -0.05 0.03 0.15 0.02 0.00 0.00 176.95 177.00 1it9 s LYS 153 N 1.37 1.21 -0.14 4.98 -0.14 -0.08 -2.28 119.74 124.65 1it9 s LYS 153 Ca 0.34 -1.17 -0.18 0.00 -1.36 0.00 0.00 55.97 53.59 1it9 s LYS 153 Cb -0.17 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1it9 s LYS 153 CO 0.14 -0.81 0.49 0.08 -0.76 0.00 0.00 175.35 174.49 1it9 s VAL 154 N 1.40 5.17 -1.23 3.17 1.01 0.74 -2.13 120.40 128.53 1it9 s VAL 154 Ca 0.04 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 1it9 s VAL 154 Cb -0.18 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1it9 s VAL 154 CO -0.13 0.29 0.68 0.47 0.00 0.00 0.00 175.10 176.41 1it9 n ASP 155 N 3.97 -3.57 0.00 3.32 8.00 0.66 -3.50 116.55 125.44 1it9 n ASP 155 Ca -0.06 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1it9 n ASP 155 Cb 0.51 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 1it9 n ASP 155 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1it9 n ASN 156 N -2.79 0.00 -0.22 -2.24 5.15 -1.26 -3.70 115.26 110.20 1it9 n ASN 156 Ca -0.17 0.00 0.17 0.00 -0.60 0.00 0.00 54.58 53.98 1it9 n ASN 156 Cb 0.62 0.00 0.27 0.00 -0.53 0.00 0.00 39.78 40.15 1it9 n ASN 156 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1it9 n ALA 157 N 7.55 0.60 -1.62 5.20 0.00 -1.26 -3.78 120.51 127.20 1it9 n ALA 157 Ca 0.00 0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 1it9 n ALA 157 Cb 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 1it9 n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1it9 n LEU 158 N -2.90 2.37 -4.63 0.00 4.77 -1.23 -4.88 117.00 110.50 1it9 n LEU 158 Ca 0.15 -2.73 -0.40 0.00 -0.03 0.00 0.00 56.01 53.00 1it9 n LEU 158 Cb 0.66 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.15 1it9 n LEU 158 CO 0.12 -2.32 0.33 0.00 -1.33 0.00 0.00 177.39 174.20 1it9 s GLN 159 N 7.07 4.13 0.00 3.23 1.03 -1.25 -0.19 119.66 133.68 1it9 s GLN 159 Ca 0.72 0.49 0.00 0.00 0.04 0.00 0.00 55.36 56.61 1it9 s GLN 159 Cb 0.01 -3.63 0.00 0.00 0.03 0.00 0.00 33.01 29.43 1it9 s GLN 159 CO 0.18 -0.33 0.00 0.43 -2.54 0.00 0.00 175.29 173.02 1it9 n SER 160 N 5.43 0.00 -2.70 12.60 7.64 -0.97 -4.97 113.62 130.66 1it9 n SER 160 Ca -0.02 -0.53 -0.07 0.00 1.01 0.00 0.00 58.87 59.26 1it9 n SER 160 Cb 0.49 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.81 1it9 n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1it9 n GLY 161 N 5.00 1.38 2.40 0.23 0.00 -1.26 -4.77 105.19 108.17 1it9 n GLY 161 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1it9 n GLY 161 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1it9 n ASN 162 N -0.59 1.88 -4.42 1.61 6.94 -1.26 -5.09 115.26 114.33 1it9 n ASN 162 Ca -0.02 -3.18 -0.21 0.00 -0.02 0.00 0.00 54.58 51.15 1it9 n ASN 162 Cb 0.85 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.55 1it9 n ASN 162 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1it9 s SER 163 N -2.57 2.18 -0.08 0.53 1.04 -1.26 -3.27 113.70 110.27 1it9 s SER 163 Ca 0.42 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1it9 s SER 163 Cb 0.30 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1it9 s SER 163 CO -0.10 -0.62 -0.03 -1.10 0.98 0.00 0.00 173.24 172.38 1it9 s GLN 164 N -3.91 0.90 0.26 4.02 -0.21 -0.51 -4.88 119.66 115.33 1it9 s GLN 164 Ca 0.36 -0.02 -0.09 0.00 0.02 0.00 0.00 55.36 55.63 1it9 s GLN 164 Cb 0.08 -1.13 -0.07 0.00 1.00 0.00 0.00 33.01 32.90 1it9 s GLN 164 CO 0.15 -0.26 0.58 -1.21 -2.12 0.00 0.00 175.29 172.43 1it9 s GLU 165 N 1.75 3.79 -0.25 2.91 8.01 -1.26 -2.03 118.70 131.62 1it9 s GLU 165 Ca 0.03 0.28 -0.02 0.00 0.01 0.00 0.00 54.97 55.27 1it9 s GLU 165 Cb -0.13 -2.61 0.14 0.00 -4.31 0.00 0.00 34.13 27.22 1it9 s GLU 165 CO -0.05 0.26 0.37 0.45 0.01 0.00 0.00 175.26 176.29 1it9 s SER 166 N -2.54 0.45 0.01 -0.19 0.15 -1.01 -4.99 113.70 105.58 1it9 s SER 166 Ca 0.48 0.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.09 1it9 s SER 166 Cb -0.11 1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 65.18 1it9 s SER 166 CO 0.23 -0.32 0.25 -0.69 1.20 0.00 0.00 173.24 173.91 1it9 s VAL 167 N 2.52 5.34 0.39 4.45 1.01 -1.26 -2.13 120.40 130.72 1it9 s VAL 167 Ca 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1it9 s VAL 167 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1it9 s VAL 167 CO -0.19 0.35 0.65 0.28 0.00 0.00 0.00 175.10 176.18 1it9 s THR 168 N -1.32 5.00 0.97 3.92 -1.32 0.90 -4.98 115.64 118.82 1it9 s THR 168 Ca 0.28 -0.08 -0.13 0.00 -1.21 0.00 0.00 61.69 60.55 1it9 s THR 168 Cb -0.13 -3.84 0.17 0.00 -1.51 0.00 0.00 72.50 67.19 1it9 s THR 168 CO 0.17 -0.63 1.12 -1.61 -2.21 0.00 0.00 174.62 171.46 1it9 s GLU 169 N -4.34 0.69 0.28 7.08 0.41 -1.26 -4.44 118.70 117.12 1it9 s GLU 169 Ca 0.44 0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 55.03 1it9 s GLU 169 Cb -0.10 -1.78 -0.10 0.00 -1.78 0.00 0.00 34.13 30.36 1it9 s GLU 169 CO 0.38 -2.51 1.46 -1.14 -0.49 0.00 0.00 175.26 172.96 1it9 s GLN 170 N -5.18 4.24 0.49 1.61 0.74 -1.26 -4.69 119.66 115.60 1it9 s GLN 170 Ca 0.65 2.37 -0.23 0.00 0.05 0.00 0.00 55.36 58.20 1it9 s GLN 170 Cb -0.16 -3.08 -0.06 0.00 1.10 0.00 0.00 33.01 30.81 1it9 s GLN 170 CO 0.55 -0.44 1.27 0.34 -0.55 0.00 0.00 175.29 176.46 1it9 s ASP 171 N 0.25 5.78 0.00 6.67 2.15 -0.85 -4.87 116.67 125.80 1it9 s ASP 171 Ca 0.58 2.57 0.00 0.00 0.43 0.00 0.00 52.55 56.13 1it9 s ASP 171 Cb -0.43 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.57 1it9 s ASP 171 CO 0.47 -1.21 0.49 -1.54 -0.17 0.00 0.00 175.17 173.21 1it9 n SER 172 N -0.65 0.95 0.00 -0.34 3.41 -1.26 -2.73 113.62 113.01 1it9 n SER 172 Ca 0.08 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1it9 n SER 172 Cb 0.46 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1it9 n SER 172 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1it9 n LYS 173 N 0.01 0.00 -0.10 4.33 3.00 -1.26 -4.94 118.16 119.21 1it9 n LYS 173 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1it9 n LYS 173 Cb 0.24 -0.16 0.11 0.00 0.00 0.00 0.00 35.03 35.22 1it9 n LYS 173 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1it9 n ASP 174 N -1.58 2.45 -4.11 3.14 5.68 -1.26 -5.00 116.55 115.87 1it9 n ASP 174 Ca 0.00 -2.67 -0.36 0.00 -0.50 0.00 0.00 54.79 51.26 1it9 n ASP 174 Cb 0.00 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 39.61 1it9 n ASP 174 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1it9 n SER 175 N -0.92 -1.40 -5.00 -1.12 7.64 -1.10 -4.86 113.62 106.86 1it9 n SER 175 Ca 0.11 -1.07 -0.20 0.00 1.01 0.00 0.00 58.87 58.72 1it9 n SER 175 Cb 0.53 -1.37 0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1it9 n SER 175 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1it9 s THR 176 N -3.02 2.19 0.19 0.44 -4.23 -1.26 -4.57 115.64 105.38 1it9 s THR 176 Ca 0.67 -1.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1it9 s THR 176 Cb -0.39 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1it9 s THR 176 CO 0.88 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.53 1it9 s TYR 177 N -2.64 1.58 -0.02 3.99 2.02 -0.59 -2.00 117.35 119.70 1it9 s TYR 177 Ca 0.55 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1it9 s TYR 177 Cb -0.05 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1it9 s TYR 177 CO 0.35 0.26 0.00 -1.12 -1.57 0.00 0.00 175.55 173.47 1it9 s SER 178 N -3.28 0.22 0.02 2.29 0.01 -1.26 -1.09 113.70 110.62 1it9 s SER 178 Ca 0.21 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.51 1it9 s SER 178 Cb 0.01 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 1it9 s SER 178 CO 0.05 -0.06 -0.13 -0.22 0.41 0.00 0.00 173.24 173.29 1it9 s LEU 179 N 0.60 2.11 -0.10 2.44 0.20 -0.68 -0.07 118.68 123.19 1it9 s LEU 179 Ca -0.05 -0.36 -0.03 0.00 0.69 0.00 0.00 54.13 54.37 1it9 s LEU 179 Cb -0.08 -0.62 0.04 0.00 -0.43 0.00 0.00 46.19 45.11 1it9 s LEU 179 CO -0.01 0.08 0.07 -0.94 -0.29 0.00 0.00 176.35 175.25 1it9 s SER 180 N -0.80 1.69 0.03 3.68 1.04 -0.91 -0.93 113.70 117.51 1it9 s SER 180 Ca 0.03 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 1it9 s SER 180 Cb -0.07 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 1it9 s SER 180 CO 0.01 -0.28 0.26 -0.55 0.98 0.00 0.00 173.24 173.65 1it9 s SER 181 N 2.13 6.45 -0.08 7.02 0.15 -1.19 -2.39 113.70 125.79 1it9 s SER 181 Ca 0.04 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1it9 s SER 181 Cb -0.14 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1it9 s SER 181 CO -0.06 0.22 -0.07 -0.89 1.20 0.00 0.00 173.24 173.65 1it9 s THR 182 N -1.38 0.82 -0.35 6.45 2.01 -0.86 -2.33 115.64 120.00 1it9 s THR 182 Ca 0.30 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1it9 s THR 182 Cb -0.13 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1it9 s THR 182 CO 0.19 0.31 0.24 -0.22 -0.69 0.00 0.00 174.62 174.45 1it9 s LEU 183 N 1.33 4.59 -0.18 4.42 2.96 -0.77 -1.42 118.68 129.61 1it9 s LEU 183 Ca -0.03 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1it9 s LEU 183 Cb -0.14 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1it9 s LEU 183 CO -0.03 -0.28 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.83 1it9 s THR 184 N 1.69 4.06 -0.09 3.68 2.01 -1.20 -0.98 115.64 124.81 1it9 s THR 184 Ca 0.05 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1it9 s THR 184 Cb -0.18 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1it9 s THR 184 CO 0.10 0.45 0.30 -1.48 -0.69 0.00 0.00 174.62 173.30 1it9 s LEU 185 N 0.71 0.88 0.46 4.42 2.34 0.32 -4.97 118.68 122.84 1it9 s LEU 185 Ca -0.00 0.47 -0.22 0.00 0.06 0.00 0.00 54.13 54.44 1it9 s LEU 185 Cb -0.14 1.07 -0.10 0.00 -0.56 0.00 0.00 46.19 46.45 1it9 s LEU 185 CO 0.02 -0.19 0.79 -1.54 -1.06 0.00 0.00 176.35 174.37 1it9 n SER 186 N 2.52 0.18 -0.26 1.48 3.41 -1.26 -1.01 113.62 118.67 1it9 n SER 186 Ca -0.15 0.92 0.04 0.00 -0.26 0.00 0.00 58.87 59.42 1it9 n SER 186 Cb 0.57 -1.25 0.13 0.00 -0.26 0.00 0.00 64.21 63.40 1it9 n SER 186 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1it9 h LYS 187 N 0.99 0.04 -0.22 4.33 3.64 -1.09 0.27 116.57 124.53 1it9 h LYS 187 Ca -0.44 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1it9 h LYS 187 Cb 1.37 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 1it9 h LYS 187 CO 0.53 0.03 0.05 0.00 -2.27 0.00 0.00 179.45 177.79 1it9 h ALA 188 N 1.75 0.23 0.00 5.00 0.00 -1.88 0.48 119.26 124.84 1it9 h ALA 188 Ca 0.40 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1it9 h ALA 188 Cb 0.67 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1it9 h ALA 188 CO -0.74 -0.37 -0.07 -0.44 0.00 0.00 0.00 179.25 177.63 1it9 h ASP 189 N 0.14 0.00 0.19 0.00 5.19 -1.14 -2.39 116.42 118.41 1it9 h ASP 189 Ca 0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1it9 h ASP 189 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1it9 h ASP 189 CO -0.13 0.07 -0.09 0.22 -3.12 0.00 0.00 179.24 176.19 1it9 h TYR 190 N 0.00 -0.24 -0.07 4.55 3.20 0.96 -3.33 116.97 122.05 1it9 h TYR 190 Ca -0.00 -0.01 -0.70 0.00 3.14 0.00 0.00 58.73 61.17 1it9 h TYR 190 Cb 0.14 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1it9 h TYR 190 CO 0.00 0.17 2.96 0.39 -1.64 0.00 0.00 178.16 180.04 1it9 n GLU 191 N -4.95 2.72 0.00 1.82 1.02 0.15 -2.64 120.64 118.76 1it9 n GLU 191 Ca -0.08 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1it9 n GLU 191 Cb 0.26 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.41 1it9 n GLU 191 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1it9 n LYS 192 N 6.39 0.00 -4.46 3.49 4.81 -1.23 -4.83 118.16 122.34 1it9 n LYS 192 Ca 0.51 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.73 1it9 n LYS 192 Cb 0.40 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.35 1it9 n LYS 192 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1it9 s HIS 193 N 0.00 1.92 0.00 5.64 3.76 -1.08 -5.10 115.29 120.43 1it9 s HIS 193 Ca 0.00 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1it9 s HIS 193 Cb 0.00 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.43 1it9 s HIS 193 CO 0.00 -0.04 0.00 1.17 -0.85 0.00 0.00 174.74 175.02 1it9 n LYS 194 N -0.73 0.00 -3.43 1.40 4.81 -1.26 -5.02 118.16 113.93 1it9 n LYS 194 Ca -0.03 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.02 1it9 n LYS 194 Cb 0.66 -0.66 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1it9 n LYS 194 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1it9 s VAL 195 N -1.82 5.20 -0.27 3.15 1.01 -1.26 -4.09 120.40 122.30 1it9 s VAL 195 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1it9 s VAL 195 Cb 0.00 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1it9 s VAL 195 CO 0.00 0.11 -0.05 -0.31 0.00 0.00 0.00 175.10 174.85 1it9 s TYR 196 N 2.01 3.06 0.16 5.22 2.02 -1.13 -0.24 117.35 128.44 1it9 s TYR 196 Ca 0.13 -2.29 0.11 0.00 -0.37 0.00 0.00 57.07 54.64 1it9 s TYR 196 Cb -0.16 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1it9 s TYR 196 CO 0.11 -0.87 -0.24 0.00 -1.57 0.00 0.00 175.55 172.98 1it9 s ALA 197 N 1.16 2.52 -0.29 3.71 0.00 -0.91 -2.60 121.76 125.36 1it9 s ALA 197 Ca -0.03 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.42 1it9 s ALA 197 Cb -0.19 -0.40 0.08 0.00 0.00 0.00 0.00 23.12 22.60 1it9 s ALA 197 CO -0.07 0.49 -0.03 0.00 0.00 0.00 0.00 175.76 176.15 1it9 s GLU 199 N 1.12 4.15 0.07 0.00 2.12 0.22 -2.71 118.70 123.67 1it9 s GLU 199 Ca -0.00 0.74 0.01 0.00 0.36 0.00 0.00 54.97 56.09 1it9 s GLU 199 Cb -0.19 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1it9 s GLU 199 CO -0.08 -0.46 0.16 0.08 -0.54 0.00 0.00 175.26 174.42 1it9 s VAL 200 N 2.64 5.04 -0.19 3.70 1.01 -0.02 0.12 120.40 132.69 1it9 s VAL 200 Ca 0.30 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1it9 s VAL 200 Cb -0.15 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.84 1it9 s VAL 200 CO 0.08 0.14 0.02 -0.89 0.00 0.00 0.00 175.10 174.45 1it9 s THR 201 N -1.46 0.65 0.01 3.92 2.01 -0.30 -1.97 115.64 118.51 1it9 s THR 201 Ca 0.33 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1it9 s THR 201 Cb -0.13 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1it9 s THR 201 CO 0.25 -0.18 -0.02 -2.28 -0.69 0.00 0.00 174.62 171.71 1it9 s HIS 202 N 1.80 0.17 0.26 4.92 2.46 -1.26 -2.32 115.29 121.32 1it9 s HIS 202 Ca -0.01 -0.34 -0.03 0.00 0.47 0.00 0.00 55.06 55.15 1it9 s HIS 202 Cb -0.17 -0.12 0.42 0.00 -0.13 0.00 0.00 32.58 32.58 1it9 s HIS 202 CO -0.08 -0.12 1.84 1.96 -2.47 0.00 0.00 174.74 175.87 1it9 h GLN 203 N 5.18 0.95 0.00 2.88 4.20 -1.92 0.18 115.11 126.57 1it9 h GLN 203 Ca -0.29 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1it9 h GLN 203 Cb 1.21 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1it9 h GLN 203 CO 0.45 0.63 0.00 0.78 -0.67 0.00 0.00 178.83 180.01 1it9 h GLY 204 N 0.97 0.00 -5.96 3.46 0.00 -1.84 -3.41 103.07 96.29 1it9 h GLY 204 Ca 0.43 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.17 1it9 h GLY 204 CO -0.22 0.00 -0.07 1.08 0.00 0.00 0.00 176.54 177.33 1it9 s LEU 205 N -4.98 4.19 0.19 3.11 1.43 0.61 -4.48 118.68 118.76 1it9 s LEU 205 Ca 0.01 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 1it9 s LEU 205 Cb 0.09 -2.71 0.16 0.00 0.03 0.00 0.00 46.19 43.75 1it9 s LEU 205 CO 0.36 -0.12 1.82 0.77 0.23 0.00 0.00 176.35 179.41 1it9 h SER 206 N 7.21 0.54 -4.40 2.29 4.64 -1.82 -3.44 113.55 118.58 1it9 h SER 206 Ca -0.36 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.80 1it9 h SER 206 Cb 1.16 -0.10 -0.24 0.00 -0.31 0.00 0.00 62.40 62.92 1it9 h SER 206 CO 0.75 0.37 -0.55 -0.55 -0.87 0.00 0.00 176.83 175.99 1it9 s SER 207 N -5.61 -0.03 -0.19 4.97 0.15 -1.26 -5.12 113.70 106.61 1it9 s SER 207 Ca -0.13 -0.01 -0.42 0.00 0.70 0.00 0.00 55.95 56.10 1it9 s SER 207 Cb 0.14 0.23 -0.19 0.00 -1.71 0.00 0.00 66.02 64.50 1it9 s SER 207 CO 0.75 -0.21 1.41 -2.65 1.20 0.00 0.00 173.24 173.74 1it9 n PRO 208 N 2.21 0.43 -2.49 5.44 -0.02 -1.26 -4.94 135.00 134.37 1it9 n PRO 208 Ca -0.18 0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 61.20 1it9 n PRO 208 Cb 0.57 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.36 1it9 n PRO 208 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1it9 s VAL 209 N 1.66 3.52 -0.10 -1.45 1.01 -0.83 -4.88 120.40 119.33 1it9 s VAL 209 Ca 0.95 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 1it9 s VAL 209 Cb -1.24 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 31.78 1it9 s VAL 209 CO 0.64 -0.37 0.34 -0.89 0.00 0.00 0.00 175.10 174.83 1it9 s THR 210 N -2.92 0.02 -0.21 3.92 2.01 -1.26 -0.84 115.64 116.35 1it9 s THR 210 Ca 0.54 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 1it9 s THR 210 Cb -0.10 -0.53 0.07 0.00 0.01 0.00 0.00 72.50 71.94 1it9 s THR 210 CO 0.43 -0.08 0.07 -0.54 -0.69 0.00 0.00 174.62 173.82 1it9 s LYS 211 N -0.27 0.44 0.27 4.92 -0.14 -1.10 -4.94 119.74 118.91 1it9 s LYS 211 Ca -0.04 -0.41 0.10 0.00 -1.36 0.00 0.00 55.97 54.26 1it9 s LYS 211 Cb -0.03 -1.90 -0.05 0.00 -1.68 0.00 0.00 37.83 34.16 1it9 s LYS 211 CO 0.02 -0.73 -0.15 -1.54 -0.76 0.00 0.00 175.35 172.19 1it9 s SER 212 N 1.94 3.18 0.29 2.83 1.04 -1.26 -1.91 113.70 119.81 1it9 s SER 212 Ca 0.02 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.42 1it9 s SER 212 Cb -0.17 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 1it9 s SER 212 CO -0.14 -0.11 0.24 0.72 0.98 0.00 0.00 173.24 174.93 1it9 s PHE 213 N -2.74 1.54 0.00 5.02 -0.71 -1.07 -4.98 117.98 115.05 1it9 s PHE 213 Ca 0.28 -1.56 0.00 0.00 -1.04 0.00 0.00 56.93 54.61 1it9 s PHE 213 Cb -0.01 -0.65 0.00 0.00 -1.21 0.00 0.00 43.02 41.15 1it9 s PHE 213 CO 0.12 -0.80 0.32 0.09 -1.34 0.00 0.00 175.22 173.61