#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5m s LYS 2 N 0.00 3.80 -0.07 2.12 1.02 -1.26 -5.11 119.74 120.24 2d5m s LYS 2 Ca 0.00 0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2d5m s LYS 2 Cb 0.00 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2d5m s LYS 2 CO 0.00 0.36 -0.08 0.21 -0.92 0.00 0.00 175.35 174.91 2d5m s LYS 3 N -2.68 2.76 -0.16 1.68 2.20 -1.26 -5.11 119.74 117.18 2d5m s LYS 3 Ca 0.45 -0.58 -0.28 0.00 -0.36 0.00 0.00 55.97 55.20 2d5m s LYS 3 Cb -0.12 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 2d5m s LYS 3 CO 0.21 0.62 0.94 -1.12 -0.36 0.00 0.00 175.35 175.65 2d5m s SER 4 N -0.70 7.10 0.00 1.43 0.01 -1.26 -4.93 113.70 115.35 2d5m s SER 4 Ca 0.11 1.36 0.25 0.00 1.31 0.00 0.00 55.95 58.98 2d5m s SER 4 Cb -0.11 -2.51 0.47 0.00 0.21 0.00 0.00 66.02 64.08 2d5m s SER 4 CO 0.01 -0.47 1.40 0.18 0.41 0.00 0.00 173.24 174.77 2d5m n LEU 5 N 5.37 1.79 0.00 2.44 4.32 -1.26 -5.09 117.00 124.57 2d5m n LEU 5 Ca 0.08 -0.60 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 2d5m n LEU 5 Cb 0.48 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 2d5m n LEU 5 CO 0.50 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.60 2d5m n GLY 6 N 1.34 -1.87 3.47 -0.72 0.00 -1.26 -4.68 105.19 101.46 2d5m n GLY 6 Ca 0.13 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 2d5m n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d5m s ALA 7 N -1.20 3.24 0.12 4.61 0.00 -1.26 -4.97 121.76 122.30 2d5m s ALA 7 Ca 0.00 -2.64 0.07 0.00 0.00 0.00 0.00 51.96 49.39 2d5m s ALA 7 Cb 0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 2d5m s ALA 7 CO 0.00 -3.09 -0.16 1.03 0.00 0.00 0.00 175.76 173.54 2d5m s ARG 8 N 3.16 1.07 -1.28 0.00 0.52 -1.26 -5.05 118.95 116.10 2d5m s ARG 8 Ca 0.35 -1.23 -0.17 0.00 -0.52 0.00 0.00 55.73 54.16 2d5m s ARG 8 Cb -0.04 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.36 2d5m s ARG 8 CO -0.09 0.22 1.98 0.25 0.02 0.00 0.00 175.30 177.68 2d5m n THR 9 N 0.67 3.26 -3.84 0.02 -2.24 -1.26 -4.87 114.28 106.02 2d5m n THR 9 Ca -0.16 -3.12 -0.28 0.00 -2.27 0.00 0.00 64.05 58.21 2d5m n THR 9 Cb 0.56 -2.43 -0.16 0.00 -2.10 0.00 0.00 70.33 66.20 2d5m n THR 9 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2d5m s LEU 10 N 3.76 1.72 0.11 3.22 2.96 -1.26 -4.51 118.68 124.67 2d5m s LEU 10 Ca 0.53 -0.87 -0.25 0.00 -0.22 0.00 0.00 54.13 53.33 2d5m s LEU 10 Cb 0.09 -0.86 0.07 0.00 0.50 0.00 0.00 46.19 45.99 2d5m s LEU 10 CO 0.02 -0.25 0.61 0.00 -1.32 0.00 0.00 176.35 175.42 2d5m s ALA 11 N 1.66 -1.61 0.02 5.97 0.00 -1.26 -5.12 121.76 121.41 2d5m s ALA 11 Ca -0.02 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 2d5m s ALA 11 Cb -0.17 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2d5m s ALA 11 CO -0.07 -0.66 -0.02 0.71 0.00 0.00 0.00 175.76 175.72 2d5m s TYR 12 N -3.10 0.23 0.82 0.00 2.02 -1.26 -4.38 117.35 111.69 2d5m s TYR 12 Ca -0.02 -0.48 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 2d5m s TYR 12 Cb -0.01 -0.17 0.08 0.00 -0.40 0.00 0.00 41.96 41.46 2d5m s TYR 12 CO -0.07 -0.18 1.09 -1.25 -1.57 0.00 0.00 175.55 173.56 2d5m s PRO 13 N -1.37 1.90 0.12 -1.71 0.04 -1.26 -5.18 135.00 127.53 2d5m s PRO 13 Ca -0.15 0.89 0.09 0.00 0.04 0.00 0.00 61.00 61.88 2d5m s PRO 13 Cb -0.09 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2d5m s PRO 13 CO -0.01 -1.82 -0.23 0.95 0.04 0.00 0.00 177.00 175.93 2d5m s THR 14 N -2.99 1.94 0.77 1.26 -4.23 -1.16 -5.03 115.64 106.21 2d5m s THR 14 Ca 0.62 -1.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.38 2d5m s THR 14 Cb -0.16 -1.75 0.09 0.00 1.34 0.00 0.00 72.50 72.01 2d5m s THR 14 CO 0.56 -0.01 1.11 -2.16 -0.54 0.00 0.00 174.62 173.57 2d5m s PRO 15 N -2.02 1.87 -0.53 3.99 0.04 -1.26 -1.09 135.00 136.00 2d5m s PRO 15 Ca 0.10 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 60.96 2d5m s PRO 15 Cb -0.10 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.54 2d5m s PRO 15 CO 0.05 -1.53 0.38 -1.17 0.04 0.00 0.00 177.00 174.77 2d5m s LEU 16 N -5.43 3.03 -0.01 -3.56 2.96 -1.24 -4.06 118.68 110.37 2d5m s LEU 16 Ca 0.63 -3.29 -0.21 0.00 -0.22 0.00 0.00 54.13 51.04 2d5m s LEU 16 Cb -0.09 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 2d5m s LEU 16 CO 0.47 -0.16 0.62 -0.36 -1.32 0.00 0.00 176.35 175.61 2d5m s PHE 17 N -0.48 3.67 -0.40 5.38 2.99 -0.53 -4.37 117.98 124.24 2d5m s PHE 17 Ca 0.27 1.23 -0.16 0.00 0.00 0.00 0.00 56.93 58.26 2d5m s PHE 17 Cb -0.05 -2.65 0.01 0.00 0.00 0.00 0.00 43.02 40.33 2d5m s PHE 17 CO -0.14 0.31 0.37 -0.51 -0.00 0.00 0.00 175.22 175.25 2d5m s LEU 18 N -0.06 4.85 -0.29 -0.37 1.43 -0.45 -0.68 118.68 123.11 2d5m s LEU 18 Ca 0.32 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 2d5m s LEU 18 Cb -0.18 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 2d5m s LEU 18 CO 0.18 -0.48 0.76 -0.69 0.23 0.00 0.00 176.35 176.35 2d5m s VAL 19 N 1.96 4.84 -0.10 -1.59 1.01 0.32 -0.79 120.40 126.04 2d5m s VAL 19 Ca 0.10 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 2d5m s VAL 19 Cb -0.18 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2d5m s VAL 19 CO 0.12 -0.17 0.03 -0.83 0.00 0.00 0.00 175.10 174.25 2d5m s GLY 20 N 1.55 1.90 0.16 4.51 0.00 0.10 -1.72 107.32 113.82 2d5m s GLY 20 Ca 0.31 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 2d5m s GLY 20 CO 0.11 -0.46 0.32 -0.51 0.00 0.00 0.00 173.10 172.56 2d5m s THR 21 N -0.73 0.07 -0.10 0.90 -4.23 -0.73 -1.24 115.64 109.56 2d5m s THR 21 Ca 0.12 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2d5m s THR 21 Cb -0.12 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 2d5m s THR 21 CO 0.02 -0.30 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.45 2d5m s TYR 22 N -3.94 3.01 0.54 3.99 2.02 -1.26 -0.74 117.35 120.97 2d5m s TYR 22 Ca 0.14 -0.07 -0.09 0.00 -0.37 0.00 0.00 57.07 56.69 2d5m s TYR 22 Cb 0.03 -1.82 0.12 0.00 -0.40 0.00 0.00 41.96 39.89 2d5m s TYR 22 CO -0.02 0.22 0.73 -0.40 -1.57 0.00 0.00 175.55 174.52 2d5m n ASP 23 N 2.69 0.07 0.30 2.29 5.75 -0.55 -4.79 116.55 122.31 2d5m n ASP 23 Ca -0.18 -1.27 0.18 0.00 -0.01 0.00 0.00 54.79 53.51 2d5m n ASP 23 Cb 0.53 -0.56 0.91 0.00 -1.03 0.00 0.00 41.12 40.97 2d5m n ASP 23 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2d5m h ARG 24 N 0.00 0.00 -0.60 0.11 0.11 -1.95 -0.68 114.38 111.37 2d5m h ARG 24 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2d5m h ARG 24 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2d5m h ARG 24 CO 0.17 0.03 0.00 -0.25 0.10 0.00 0.00 179.97 180.02 2d5m n ASP 25 N -3.23 4.66 -0.99 0.08 8.00 -1.26 -4.94 116.55 118.87 2d5m n ASP 25 Ca -0.01 -2.49 -0.12 0.00 0.71 0.00 0.00 54.79 52.87 2d5m n ASP 25 Cb 0.19 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2d5m n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2d5m n SER 26 N 0.95 -4.43 -4.70 -2.24 7.64 -0.26 -4.99 113.62 105.59 2d5m n SER 26 Ca 0.25 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 2d5m n SER 26 Cb 0.88 -3.08 -0.03 0.00 -1.01 0.00 0.00 64.21 60.98 2d5m n SER 26 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d5m s ARG 27 N -3.20 4.39 0.37 1.43 0.52 -1.26 -4.76 118.95 116.44 2d5m s ARG 27 Ca 0.00 1.69 -0.24 0.00 -0.52 0.00 0.00 55.73 56.66 2d5m s ARG 27 Cb 0.00 -3.48 -0.10 0.00 0.52 0.00 0.00 34.95 31.89 2d5m s ARG 27 CO 0.00 -0.35 0.95 -1.25 0.02 0.00 0.00 175.30 174.67 2d5m s PRO 28 N 1.74 4.42 0.06 3.54 0.04 -1.26 -1.48 135.00 142.06 2d5m s PRO 28 Ca 0.56 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2d5m s PRO 28 Cb -0.26 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2d5m s PRO 28 CO 0.25 0.13 0.06 1.21 0.04 0.00 0.00 177.00 178.68 2d5m s ASN 29 N -1.83 0.31 -0.01 6.66 2.47 0.08 -4.56 114.94 118.06 2d5m s ASN 29 Ca 0.55 -0.78 -0.01 0.00 0.42 0.00 0.00 52.86 53.04 2d5m s ASN 29 Cb -0.15 0.24 -0.00 0.00 -1.45 0.00 0.00 41.25 39.89 2d5m s ASN 29 CO 0.20 -0.60 0.03 0.27 -3.72 0.00 0.00 177.10 173.28 2d5m s ILE 30 N -3.52 0.03 0.11 -5.21 -4.36 -1.26 -1.78 121.20 105.22 2d5m s ILE 30 Ca 0.03 -0.24 0.03 0.00 -0.26 0.00 0.00 60.65 60.21 2d5m s ILE 30 Cb 0.04 -0.13 -0.04 0.00 1.25 0.00 0.00 42.46 43.58 2d5m s ILE 30 CO -0.09 -0.13 -0.09 0.00 0.24 0.00 0.00 174.94 174.87 2d5m s MET 31 N -0.40 0.90 0.02 0.37 0.23 -0.70 -4.83 119.30 114.89 2d5m s MET 31 Ca -0.04 -1.28 -0.19 0.00 -1.03 0.00 0.00 55.69 53.14 2d5m s MET 31 Cb -0.03 -0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 32.75 2d5m s MET 31 CO -0.00 0.05 0.55 0.00 -2.03 0.00 0.00 175.02 173.60 2d5m s ALA 32 N -2.99 3.55 -0.05 3.16 0.00 -1.23 -0.52 121.76 123.69 2d5m s ALA 32 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 2d5m s ALA 32 Cb 0.01 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.50 2d5m s ALA 32 CO -0.01 0.29 -0.00 0.00 0.00 0.00 0.00 175.76 176.04 2d5m s ALA 33 N -0.61 0.51 -0.14 0.00 0.00 0.14 -4.85 121.76 116.81 2d5m s ALA 33 Ca 0.29 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.37 2d5m s ALA 33 Cb -0.18 -0.53 -0.14 0.00 0.00 0.00 0.00 23.12 22.27 2d5m s ALA 33 CO 0.17 -0.25 0.28 0.00 0.00 0.00 0.00 175.76 175.96 2d5m n ALA 34 N 4.62 2.64 -2.57 0.00 0.00 -1.26 -1.45 120.51 122.49 2d5m n ALA 34 Ca -0.16 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2d5m n ALA 34 Cb 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2d5m n ALA 34 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2d5m n TRP 35 N -1.66 4.20 -3.47 0.00 5.03 -1.26 -4.22 117.44 116.06 2d5m n TRP 35 Ca -0.01 -3.06 -0.11 0.00 3.03 0.00 0.00 57.50 57.36 2d5m n TRP 35 Cb 0.23 -2.26 -0.02 0.00 -1.03 0.00 0.00 31.31 28.23 2d5m n TRP 35 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2d5m s ALA 36 N 1.97 -1.72 0.00 6.99 0.00 -1.26 -1.11 121.76 126.63 2d5m s ALA 36 Ca 0.45 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2d5m s ALA 36 Cb 0.04 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2d5m s ALA 36 CO 0.01 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2d5m n GLY 37 N -0.24 0.41 3.76 0.00 0.00 -0.72 -4.71 105.19 103.69 2d5m n GLY 37 Ca -0.13 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2d5m n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d5m s ILE 38 N -2.00 2.58 -0.04 -0.61 1.01 -1.26 -1.10 121.20 119.77 2d5m s ILE 38 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.23 2d5m s ILE 38 Cb 0.00 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 2d5m s ILE 38 CO 0.00 0.10 0.05 0.00 0.00 0.00 0.00 174.94 175.09 2d5m n SER 41 N 1.05 0.51 -3.65 0.00 7.64 -1.26 -1.59 113.62 116.32 2d5m n SER 41 Ca -0.21 -0.20 -0.27 0.00 1.01 0.00 0.00 58.87 59.20 2d5m n SER 41 Cb 0.57 1.15 -0.16 0.00 -1.01 0.00 0.00 64.21 64.76 2d5m n SER 41 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2d5m s GLN 42 N -3.28 0.31 0.67 1.43 2.00 -1.26 -2.74 119.66 116.79 2d5m s GLN 42 Ca 0.00 -0.34 -0.15 0.00 -2.00 0.00 0.00 55.36 52.87 2d5m s GLN 42 Cb 0.14 -1.81 0.01 0.00 0.80 0.00 0.00 33.01 32.15 2d5m s GLN 42 CO 0.84 -0.75 1.15 -1.25 -0.50 0.00 0.00 175.29 174.78 2d5m s PRO 43 N 2.01 2.62 -0.04 1.67 0.04 -1.26 -5.01 135.00 135.02 2d5m s PRO 43 Ca 0.03 1.54 -0.37 0.00 0.04 0.00 0.00 61.00 62.24 2d5m s PRO 43 Cb -0.16 -1.91 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 2d5m s PRO 43 CO -0.15 -1.42 1.55 -2.30 0.04 0.00 0.00 177.00 174.72 2d5m n PRO 44 N -2.42 1.35 -3.83 0.56 -0.02 -1.11 -4.64 135.00 124.90 2d5m n PRO 44 Ca 0.12 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2d5m n PRO 44 Cb 0.51 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 2d5m n PRO 44 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2d5m s SER 45 N 1.84 -0.05 -0.04 2.55 0.01 -0.62 -0.60 113.70 116.78 2d5m s SER 45 Ca 0.89 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 58.09 2d5m s SER 45 Cb -0.94 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 2d5m s SER 45 CO 0.52 -0.43 -0.23 -0.63 0.41 0.00 0.00 173.24 172.89 2d5m s ILE 46 N -1.53 1.85 -0.14 1.44 1.01 -0.35 -1.22 121.20 122.26 2d5m s ILE 46 Ca -0.13 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 2d5m s ILE 46 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 2d5m s ILE 46 CO 0.02 0.52 0.11 0.00 0.00 0.00 0.00 174.94 175.59 2d5m s ALA 47 N -0.27 3.69 -0.05 9.38 0.00 -0.26 -0.76 121.76 133.49 2d5m s ALA 47 Ca 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2d5m s ALA 47 Cb -0.12 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.09 2d5m s ALA 47 CO 0.02 0.46 -0.03 0.14 0.00 0.00 0.00 175.76 176.34 2d5m s VAL 48 N -0.51 0.46 -0.53 0.00 -7.23 -0.27 -1.75 120.40 110.57 2d5m s VAL 48 Ca 0.12 -0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 60.03 2d5m s VAL 48 Cb -0.12 -0.52 0.06 0.00 0.56 0.00 0.00 36.38 36.37 2d5m s VAL 48 CO 0.02 0.22 0.70 -0.44 -0.31 0.00 0.00 175.10 175.28 2d5m s SER 49 N 1.09 6.23 -0.13 4.85 0.01 -0.27 -0.88 113.70 124.60 2d5m s SER 49 Ca -0.08 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.25 2d5m s SER 49 Cb -0.14 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 2d5m s SER 49 CO -0.01 -1.00 -0.15 -0.76 0.41 0.00 0.00 173.24 171.73 2d5m s LEU 50 N 2.88 2.57 0.50 2.44 1.43 -1.26 -4.77 118.68 122.47 2d5m s LEU 50 Ca 0.17 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 2d5m s LEU 50 Cb -0.19 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.39 2d5m s LEU 50 CO 0.12 0.15 1.11 -0.13 0.23 0.00 0.00 176.35 177.83 2d5m s ARG 51 N 0.41 3.63 0.55 1.70 0.52 -1.26 -4.87 118.95 119.63 2d5m s ARG 51 Ca -0.12 1.58 0.25 0.00 -0.52 0.00 0.00 55.73 56.93 2d5m s ARG 51 Cb -0.16 -2.17 1.58 0.00 0.52 0.00 0.00 34.95 34.71 2d5m s ARG 51 CO 0.06 -0.62 2.18 0.87 0.02 0.00 0.00 175.30 177.81 2d5m h LYS 52 N 1.60 0.00 0.00 3.54 1.57 -1.99 -1.65 116.57 119.64 2d5m h LYS 52 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2d5m h LYS 52 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2d5m h LYS 52 CO 0.59 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 2d5m h ALA 53 N 1.96 1.00 -2.62 3.86 0.00 -2.02 -3.45 119.26 117.99 2d5m h ALA 53 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2d5m h ALA 53 Cb 0.09 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.91 2d5m h ALA 53 CO 0.00 0.00 0.45 0.95 0.00 0.00 0.00 179.25 180.66 2d5m s THR 54 N -3.58 3.43 0.29 0.00 -4.23 -0.62 -4.92 115.64 106.00 2d5m s THR 54 Ca 0.02 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 2d5m s THR 54 Cb 0.09 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.47 2d5m s THR 54 CO 0.55 0.04 1.82 0.22 -0.54 0.00 0.00 174.62 176.71 2d5m h TYR 55 N 2.49 0.77 -0.89 3.99 3.20 -1.88 -2.93 116.97 121.71 2d5m h TYR 55 Ca -0.49 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.38 2d5m h TYR 55 Cb 1.23 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 2d5m h TYR 55 CO 0.56 0.68 0.58 1.15 -1.64 0.00 0.00 178.16 179.49 2d5m h THR 56 N 0.71 1.02 -0.13 1.81 2.02 -1.93 -2.07 112.91 114.35 2d5m h THR 56 Ca 0.15 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.05 2d5m h THR 56 Cb 0.33 -0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 2d5m h THR 56 CO 0.01 0.17 -0.28 0.22 0.37 0.00 0.00 175.52 176.01 2d5m h TYR 57 N 0.95 -0.76 -0.29 3.16 3.20 -1.77 -0.25 116.97 121.21 2d5m h TYR 57 Ca 0.40 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.33 2d5m h TYR 57 Cb 0.30 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 2d5m h TYR 57 CO -0.00 -0.36 0.11 -0.09 -1.64 0.00 0.00 178.16 176.18 2d5m h ARG 58 N -0.35 0.25 -0.80 1.82 2.43 -1.46 -1.59 114.38 114.68 2d5m h ARG 58 Ca 0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2d5m h ARG 58 Cb 0.50 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2d5m h ARG 58 CO -0.33 0.16 0.40 0.77 -1.51 0.00 0.00 179.97 179.46 2d5m h SER 59 N 0.25 1.02 -0.51 -3.80 0.02 -0.83 -1.79 113.55 107.92 2d5m h SER 59 Ca 0.13 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 2d5m h SER 59 Cb 0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2d5m h SER 59 CO -0.12 0.85 -0.17 0.40 -1.14 0.00 0.00 176.83 176.65 2d5m h ILE 60 N 1.13 1.27 -0.06 3.27 2.04 -0.79 -0.10 117.51 124.27 2d5m h ILE 60 Ca 0.28 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2d5m h ILE 60 Cb 0.09 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2d5m h ILE 60 CO -0.04 0.47 -0.07 0.71 0.00 0.00 0.00 178.15 179.22 2d5m h THR 61 N 0.89 1.09 0.17 -0.27 1.35 -0.78 0.86 112.91 116.22 2d5m h THR 61 Ca 0.12 -0.40 -0.30 0.00 -0.55 0.00 0.00 66.41 65.29 2d5m h THR 61 Cb 0.75 1.12 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2d5m h THR 61 CO 0.06 0.12 -1.43 -0.33 -0.25 0.00 0.00 175.52 173.70 2d5m h GLU 62 N 0.09 0.36 0.00 4.72 5.08 -0.89 -3.39 114.58 120.55 2d5m h GLU 62 Ca 0.02 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2d5m h GLU 62 Cb 0.19 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2d5m h GLU 62 CO 0.01 1.29 -1.62 0.54 -1.00 0.00 0.00 179.01 178.24 2d5m n ARG 63 N -3.82 0.56 -2.17 2.33 1.74 -0.09 -5.00 116.66 110.21 2d5m n ARG 63 Ca -0.21 -0.13 -0.15 0.00 -0.77 0.00 0.00 57.85 56.59 2d5m n ARG 63 Cb 0.98 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.94 2d5m n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d5m n GLY 64 N 1.38 -0.01 3.48 -0.13 0.00 0.29 -4.90 105.19 105.29 2d5m n GLY 64 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 2d5m n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d5m s ALA 65 N -2.71 -1.55 0.19 4.61 0.00 -1.26 -0.95 121.76 120.10 2d5m s ALA 65 Ca 0.00 1.27 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 2d5m s ALA 65 Cb 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.92 2d5m s ALA 65 CO 0.00 -0.33 0.63 -0.59 0.00 0.00 0.00 175.76 175.47 2d5m s PHE 66 N -0.81 -0.42 0.32 0.00 -0.12 -0.73 -4.70 117.98 111.52 2d5m s PHE 66 Ca -0.09 0.14 0.09 0.00 -0.05 0.00 0.00 56.93 57.03 2d5m s PHE 66 Cb -0.02 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 2d5m s PHE 66 CO 0.07 -0.96 -0.02 0.95 -0.05 0.00 0.00 175.22 175.20 2d5m s THR 67 N -3.80 2.71 -0.15 -4.49 -4.23 -0.38 -0.68 115.64 104.63 2d5m s THR 67 Ca 0.04 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2d5m s THR 67 Cb -0.02 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.10 2d5m s THR 67 CO -0.07 -0.25 -0.16 -0.63 -0.54 0.00 0.00 174.62 172.96 2d5m s ILE 68 N -2.49 1.71 -0.10 2.99 1.01 -0.06 -0.72 121.20 123.53 2d5m s ILE 68 Ca 0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2d5m s ILE 68 Cb -0.02 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2d5m s ILE 68 CO 0.19 0.48 -0.07 -0.44 0.00 0.00 0.00 174.94 175.10 2d5m s SER 69 N 1.27 4.58 -0.31 3.58 0.01 0.03 -0.07 113.70 122.79 2d5m s SER 69 Ca 0.01 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 2d5m s SER 69 Cb -0.14 -1.42 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 2d5m s SER 69 CO -0.08 0.27 0.14 -0.63 0.41 0.00 0.00 173.24 173.35 2d5m s ILE 70 N -0.26 4.48 0.47 1.44 1.01 -0.20 -1.35 121.20 126.80 2d5m s ILE 70 Ca 0.04 -0.51 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2d5m s ILE 70 Cb -0.13 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.95 2d5m s ILE 70 CO 0.03 0.04 1.05 -2.16 0.00 0.00 0.00 174.94 173.90 2d5m s PRO 71 N 1.59 3.84 0.63 2.79 0.04 -1.26 -3.83 135.00 138.79 2d5m s PRO 71 Ca 0.04 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 2d5m s PRO 71 Cb -0.17 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2d5m s PRO 71 CO 0.06 -0.40 0.90 -1.54 0.04 0.00 0.00 177.00 176.05 2d5m s SER 72 N -1.87 5.10 0.53 6.66 1.04 -1.26 -2.65 113.70 121.25 2d5m s SER 72 Ca 0.66 0.29 0.22 0.00 0.48 0.00 0.00 55.95 57.60 2d5m s SER 72 Cb -0.18 -1.08 1.41 0.00 0.10 0.00 0.00 66.02 66.27 2d5m s SER 72 CO 0.22 -1.34 2.13 0.08 0.98 0.00 0.00 173.24 175.31 2d5m h ARG 73 N -0.27 0.00 0.00 4.02 0.11 -1.80 -0.74 114.38 115.71 2d5m h ARG 73 Ca -0.44 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 2d5m h ARG 73 Cb 1.30 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 2d5m h ARG 73 CO 0.57 0.06 -0.00 0.00 0.10 0.00 0.00 179.97 180.70 2d5m h ALA 74 N 1.94 1.06 -0.27 0.08 0.00 -1.94 -2.61 119.26 117.53 2d5m h ALA 74 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d5m h ALA 74 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2d5m h ALA 74 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92 2d5m n TYR 75 N -3.18 0.89 -0.26 0.00 4.01 -0.29 -4.66 117.16 113.67 2d5m n TYR 75 Ca -0.03 -0.84 -0.03 0.00 -0.16 0.00 0.00 57.90 56.84 2d5m n TYR 75 Cb 0.09 -0.28 0.14 0.00 -0.31 0.00 0.00 39.34 38.98 2d5m n TYR 75 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2d5m h VAL 76 N 1.81 1.24 -0.36 -0.72 3.04 -1.48 -0.76 116.25 119.02 2d5m h VAL 76 Ca 0.00 -0.67 -0.12 0.00 -1.01 0.00 0.00 66.70 64.90 2d5m h VAL 76 Cb 1.36 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2d5m h VAL 76 CO 0.20 0.29 -0.27 0.03 -1.01 0.00 0.00 177.57 176.81 2d5m h ARG 77 N 1.10 0.75 -0.32 4.17 3.08 -1.84 -1.28 114.38 120.03 2d5m h ARG 77 Ca 0.27 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2d5m h ARG 77 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2d5m h ARG 77 CO -0.04 0.93 0.13 0.45 -1.07 0.00 0.00 179.97 180.38 2d5m h HIS 78 N 0.64 0.49 -0.49 3.04 3.86 -1.80 -0.23 115.15 120.66 2d5m h HIS 78 Ca 0.08 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2d5m h HIS 78 Cb 0.78 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2d5m h HIS 78 CO 0.04 0.47 0.27 0.00 0.86 0.00 0.00 177.93 179.56 2d5m h ALA 79 N 0.98 0.63 -0.59 2.45 0.00 -0.99 -1.84 119.26 119.90 2d5m h ALA 79 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2d5m h ALA 79 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2d5m h ALA 79 CO -0.01 0.16 0.39 0.22 0.00 0.00 0.00 179.25 180.01 2d5m h ASP 80 N 0.66 0.68 -0.50 0.00 3.58 -0.94 -2.28 116.42 117.61 2d5m h ASP 80 Ca 0.17 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.69 2d5m h ASP 80 Cb 0.06 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 40.87 2d5m h ASP 80 CO -0.03 0.50 0.09 0.22 -2.88 0.00 0.00 179.24 177.14 2d5m h TYR 81 N 0.80 0.14 0.00 0.28 3.20 -0.72 -0.35 116.97 120.31 2d5m h TYR 81 Ca 0.21 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2d5m h TYR 81 Cb -0.09 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2d5m h TYR 81 CO -0.03 -0.02 -0.05 0.00 -1.64 0.00 0.00 178.16 176.41 2d5m h ALA 82 N 1.40 1.31 -0.01 1.82 0.00 -0.85 -1.30 119.26 121.63 2d5m h ALA 82 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2d5m h ALA 82 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2d5m h ALA 82 CO -0.34 0.07 -0.14 0.41 0.00 0.00 0.00 179.25 179.24 2d5m n GLY 83 N -0.94 -0.29 0.20 0.00 0.00 -0.21 -3.49 105.19 100.47 2d5m n GLY 83 Ca -0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 2d5m n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d5m n ILE 84 N -0.22 1.10 -4.05 -0.61 5.41 -0.56 -4.89 119.36 115.53 2d5m n ILE 84 Ca 0.15 -0.37 -0.29 0.00 1.00 0.00 0.00 62.75 63.24 2d5m n ILE 84 Cb 0.36 -1.40 -0.06 0.00 -0.71 0.00 0.00 39.64 37.83 2d5m n ILE 84 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2d5m s TYR 85 N -2.38 3.19 0.09 1.39 2.02 -0.78 -5.11 117.35 115.77 2d5m s TYR 85 Ca -0.27 0.06 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 2d5m s TYR 85 Cb 0.08 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.99 2d5m s TYR 85 CO 0.41 0.52 0.32 0.45 -1.57 0.00 0.00 175.55 175.68 2d5m s SER 86 N -2.56 6.49 0.00 2.29 0.15 -1.26 -4.78 113.70 114.03 2d5m s SER 86 Ca 0.30 0.55 0.22 0.00 0.70 0.00 0.00 55.95 57.73 2d5m s SER 86 Cb -0.12 -2.08 0.96 0.00 -1.71 0.00 0.00 66.02 63.07 2d5m s SER 86 CO 0.22 0.14 1.66 0.61 1.20 0.00 0.00 173.24 177.08 2d5m n GLY 87 N 0.48 -0.11 0.28 9.45 0.00 -1.26 -4.17 105.19 109.85 2d5m n GLY 87 Ca -0.06 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.65 2d5m n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2d5m h GLU 88 N 1.65 0.55 -0.11 1.61 4.81 -1.96 -3.10 114.58 118.03 2d5m h GLU 88 Ca 0.00 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2d5m h GLU 88 Cb 0.36 -0.12 -0.25 0.00 0.63 0.00 0.00 28.75 29.37 2d5m h GLU 88 CO 0.00 0.36 -0.83 0.09 -0.73 0.00 0.00 179.01 177.91 2d5m n ASN 89 N -4.90 1.66 -3.72 1.04 3.02 -1.26 -5.04 115.26 106.06 2d5m n ASN 89 Ca 0.13 -2.87 -0.12 0.00 -0.03 0.00 0.00 54.58 51.69 2d5m n ASN 89 Cb 0.34 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 2d5m n ASN 89 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2d5m s GLU 90 N -1.90 0.42 -0.56 3.52 2.12 -1.17 -5.10 118.70 116.03 2d5m s GLU 90 Ca 0.36 0.64 -0.21 0.00 0.36 0.00 0.00 54.97 56.12 2d5m s GLU 90 Cb 0.38 0.11 0.06 0.00 0.26 0.00 0.00 34.13 34.94 2d5m s GLU 90 CO -0.10 -0.10 0.78 0.34 -0.54 0.00 0.00 175.26 175.64 2d5m s ASP 91 N 0.70 6.24 0.38 -1.70 -1.08 -1.26 -4.35 116.67 115.60 2d5m s ASP 91 Ca -0.04 -0.86 0.17 0.00 -0.52 0.00 0.00 52.55 51.30 2d5m s ASP 91 Cb -0.05 -2.35 0.74 0.00 -1.46 0.00 0.00 42.92 39.80 2d5m s ASP 91 CO -0.05 -1.11 1.79 0.11 0.52 0.00 0.00 175.17 176.43 2d5m h LYS 92 N 9.21 0.00 -0.62 4.34 1.57 -1.93 -1.60 116.57 127.53 2d5m h LYS 92 Ca -0.28 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 2d5m h LYS 92 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2d5m h LYS 92 CO 1.06 0.38 0.23 0.74 -0.57 0.00 0.00 179.45 181.28 2d5m h PHE 93 N 0.00 0.97 -0.32 -1.35 0.04 -1.86 -0.20 116.94 114.23 2d5m h PHE 93 Ca -0.00 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2d5m h PHE 93 Cb 0.78 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2d5m h PHE 93 CO 0.00 0.78 0.12 0.00 -0.60 0.00 0.00 178.31 178.61 2d5m h ALA 94 N 1.09 0.42 -0.83 2.45 0.00 -1.71 -0.30 119.26 120.37 2d5m h ALA 94 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2d5m h ALA 94 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2d5m h ALA 94 CO -0.01 0.03 0.47 0.77 0.00 0.00 0.00 179.25 180.51 2d5m h SER 95 N 0.36 1.02 0.43 0.00 0.02 -1.08 -3.02 113.55 111.28 2d5m h SER 95 Ca 0.10 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2d5m h SER 95 Cb 0.21 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2d5m h SER 95 CO -0.01 0.81 -0.52 0.18 -1.14 0.00 0.00 176.83 176.15 2d5m n LEU 96 N -4.35 0.60 -2.46 5.07 4.77 -0.10 -4.96 117.00 115.56 2d5m n LEU 96 Ca 0.09 -0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 2d5m n LEU 96 Cb 0.09 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 2d5m n LEU 96 CO 0.38 0.14 0.07 0.61 -1.33 0.00 0.00 177.39 177.27 2d5m n GLY 97 N 1.48 -0.18 3.76 -0.72 0.00 -0.21 -5.03 105.19 104.30 2d5m n GLY 97 Ca 0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2d5m n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d5m s LEU 98 N -5.25 3.34 -0.24 0.99 1.43 -0.67 -5.05 118.68 113.23 2d5m s LEU 98 Ca 0.30 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2d5m s LEU 98 Cb -0.13 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2d5m s LEU 98 CO 0.38 -0.30 0.03 -0.89 0.23 0.00 0.00 176.35 175.80 2d5m s THR 99 N -2.39 3.91 -0.67 5.49 2.01 -1.26 -4.57 115.64 118.16 2d5m s THR 99 Ca 0.38 -0.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 2d5m s THR 99 Cb -0.03 -2.83 0.06 0.00 0.01 0.00 0.00 72.50 69.70 2d5m s THR 99 CO 0.23 0.34 1.03 -2.16 -0.69 0.00 0.00 174.62 173.37 2d5m s PRO 100 N 1.55 3.15 -0.19 4.92 0.04 -1.26 -1.16 135.00 142.05 2d5m s PRO 100 Ca 0.06 -0.66 -0.20 0.00 0.04 0.00 0.00 61.00 60.24 2d5m s PRO 100 Cb -0.15 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.16 2d5m s PRO 100 CO 0.01 -1.85 0.59 0.08 0.04 0.00 0.00 177.00 175.86 2d5m s VAL 101 N 4.40 5.06 0.30 -0.36 1.01 0.09 -4.86 120.40 126.03 2d5m s VAL 101 Ca 0.26 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 2d5m s VAL 101 Cb -0.15 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 2d5m s VAL 101 CO 0.12 0.15 1.52 -2.84 0.00 0.00 0.00 175.10 174.04 2d5m s PRO 102 N 1.73 4.18 0.53 2.72 0.02 -1.26 -0.64 135.00 142.27 2d5m s PRO 102 Ca 0.27 2.48 -0.21 0.00 0.02 0.00 0.00 61.00 63.56 2d5m s PRO 102 Cb -0.16 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 2d5m s PRO 102 CO 0.10 -0.53 1.07 0.41 -0.33 0.00 0.00 177.00 177.73 2d5m n GLY 103 N 1.82 -0.02 0.11 0.52 0.00 0.26 -4.85 105.19 103.05 2d5m n GLY 103 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2d5m n GLY 103 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2d5m h GLU 104 N 1.07 0.00 0.00 1.61 5.08 -1.92 -3.40 114.58 117.02 2d5m h GLU 104 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2d5m h GLU 104 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2d5m h GLU 104 CO 0.54 0.44 -1.20 0.72 -1.00 0.00 0.00 179.01 178.52 2d5m n HIS 105 N -3.08 0.00 -4.13 4.33 8.25 -1.26 -5.07 115.22 114.26 2d5m n HIS 105 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 2d5m n HIS 105 Cb 0.79 -0.11 -0.10 0.00 1.12 0.00 0.00 29.99 31.69 2d5m n HIS 105 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2d5m s VAL 106 N -2.26 0.58 -1.41 1.59 -7.23 -1.26 -5.04 120.40 105.37 2d5m s VAL 106 Ca -0.02 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 2d5m s VAL 106 Cb 0.02 -1.38 0.08 0.00 0.56 0.00 0.00 36.38 35.66 2d5m s VAL 106 CO 0.17 -0.77 2.19 -0.67 -0.31 0.00 0.00 175.10 175.70 2d5m n ASP 107 N 0.36 4.98 -3.54 4.85 2.03 -1.26 -4.00 116.55 119.98 2d5m n ASP 107 Ca -0.15 -2.93 -0.15 0.00 0.52 0.00 0.00 54.79 52.08 2d5m n ASP 107 Cb 0.59 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.37 2d5m n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d5m s ALA 108 N 1.87 -1.83 0.34 -1.67 0.00 -1.26 -4.52 121.76 114.70 2d5m s ALA 108 Ca 0.47 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.76 2d5m s ALA 108 Cb 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 2d5m s ALA 108 CO -0.05 -0.35 0.65 -1.25 0.00 0.00 0.00 175.76 174.76 2d5m s PRO 109 N -1.17 3.70 0.43 0.00 0.04 -1.26 -0.57 135.00 136.17 2d5m s PRO 109 Ca -0.08 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.24 2d5m s PRO 109 Cb -0.00 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 2d5m s PRO 109 CO 0.07 0.10 0.01 1.52 0.04 0.00 0.00 177.00 178.74 2d5m s TYR 110 N -2.22 2.31 -0.42 0.56 -0.85 0.18 -4.23 117.35 112.68 2d5m s TYR 110 Ca 0.47 -0.77 -0.22 0.00 -0.52 0.00 0.00 57.07 56.04 2d5m s TYR 110 Cb -0.10 -1.71 0.02 0.00 0.38 0.00 0.00 41.96 40.55 2d5m s TYR 110 CO 0.30 0.36 0.71 0.08 -1.52 0.00 0.00 175.55 175.48 2d5m s VAL 111 N -2.79 4.77 0.39 -3.49 1.01 -1.26 -0.73 120.40 118.29 2d5m s VAL 111 Ca 0.27 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.71 2d5m s VAL 111 Cb 0.08 -4.22 0.18 0.00 0.00 0.00 0.00 36.38 32.41 2d5m s VAL 111 CO 0.14 -0.58 1.94 1.23 0.00 0.00 0.00 175.10 177.83 2d5m h GLY 112 N 9.80 0.33 2.00 4.51 0.00 -1.51 -2.48 103.07 115.73 2d5m h GLY 112 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2d5m h GLY 112 CO 0.91 0.17 0.00 0.83 0.00 0.00 0.00 176.54 178.45 2d5m h GLU 113 N 0.30 0.00 -7.21 4.80 3.07 -1.92 -3.45 114.58 110.17 2d5m h GLU 113 Ca 0.07 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.45 2d5m h GLU 113 Cb 0.29 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.23 2d5m h GLU 113 CO 0.01 0.00 0.38 -0.06 -1.40 0.00 0.00 179.01 177.94 2d5m s PHE 114 N -3.50 3.40 -0.09 4.33 0.40 -0.93 -4.97 117.98 116.61 2d5m s PHE 114 Ca 0.03 1.46 0.27 0.00 -0.60 0.00 0.00 56.93 58.09 2d5m s PHE 114 Cb 0.08 -2.82 0.83 0.00 0.51 0.00 0.00 43.02 41.62 2d5m s PHE 114 CO 0.57 -0.50 1.78 -1.00 0.70 0.00 0.00 175.22 176.78 2d5m h PRO 115 N 0.75 0.00 -3.25 0.24 0.13 -1.88 -3.45 132.00 124.54 2d5m h PRO 115 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2d5m h PRO 115 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 2d5m h PRO 115 CO 0.61 0.08 -0.52 1.41 -0.23 0.00 0.00 178.00 179.36 2d5m s MET 116 N -3.45 0.19 -0.01 0.86 -2.45 -1.26 -1.05 119.30 112.12 2d5m s MET 116 Ca 0.03 0.31 -0.03 0.00 -1.25 0.00 0.00 55.69 54.76 2d5m s MET 116 Cb 0.08 0.03 0.00 0.00 1.25 0.00 0.00 34.83 36.18 2d5m s MET 116 CO 0.62 -0.07 0.06 0.00 1.05 0.00 0.00 175.02 176.68 2d5m s ALA 117 N 0.43 -0.14 -0.08 4.11 0.00 -0.13 -1.04 121.76 124.92 2d5m s ALA 117 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2d5m s ALA 117 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2d5m s ALA 117 CO -0.02 -0.08 -0.20 0.42 0.00 0.00 0.00 175.76 175.89 2d5m s ILE 118 N -0.43 1.69 -0.23 0.00 1.01 0.90 -0.27 121.20 123.87 2d5m s ILE 118 Ca -0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 2d5m s ILE 118 Cb -0.03 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2d5m s ILE 118 CO 0.00 0.48 0.14 -1.61 0.00 0.00 0.00 174.94 173.95 2d5m s GLU 119 N 0.38 4.04 0.00 2.79 2.02 -0.23 -0.88 118.70 126.83 2d5m s GLU 119 Ca -0.15 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 54.61 2d5m s GLU 119 Cb -0.16 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 2d5m s GLU 119 CO 0.06 0.09 -0.17 -0.51 0.02 0.00 0.00 175.26 174.75 2d5m s LEU 120 N 0.96 2.07 -0.20 1.80 1.02 0.15 -0.23 118.68 124.25 2d5m s LEU 120 Ca 0.07 -0.35 -0.09 0.00 0.02 0.00 0.00 54.13 53.78 2d5m s LEU 120 Cb -0.13 -0.84 -0.05 0.00 0.02 0.00 0.00 46.19 45.19 2d5m s LEU 120 CO 0.04 0.17 0.11 -0.75 0.02 0.00 0.00 176.35 175.94 2d5m s LYS 121 N -0.61 4.06 0.07 1.70 2.20 -0.41 -1.77 119.74 124.99 2d5m s LYS 121 Ca 0.06 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 2d5m s LYS 121 Cb -0.07 -3.35 -0.08 0.00 -1.51 0.00 0.00 37.83 32.82 2d5m s LYS 121 CO -0.00 0.23 1.57 -1.17 -0.36 0.00 0.00 175.35 175.62 2d5m s LEU 122 N 0.54 4.36 -0.00 5.43 2.96 -0.13 -0.30 118.68 131.54 2d5m s LEU 122 Ca 0.06 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 2d5m s LEU 122 Cb -0.12 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 2d5m s LEU 122 CO 0.00 -0.83 0.00 2.30 -1.32 0.00 0.00 176.35 176.51 2d5m n ILE 123 N 4.56 0.00 -3.81 6.68 -5.35 0.13 -4.90 119.36 116.68 2d5m n ILE 123 Ca 0.15 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.50 2d5m n ILE 123 Cb 0.41 0.05 -0.10 0.00 -1.74 0.00 0.00 39.64 38.25 2d5m n ILE 123 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2d5m s HIS 124 N -2.01 -0.14 -0.27 4.28 3.76 -1.07 -5.00 115.29 114.84 2d5m s HIS 124 Ca -0.00 0.28 0.02 0.00 -0.15 0.00 0.00 55.06 55.20 2d5m s HIS 124 Cb 0.00 0.04 0.07 0.00 1.11 0.00 0.00 32.58 33.81 2d5m s HIS 124 CO 0.01 -0.25 -0.03 -1.14 -0.85 0.00 0.00 174.74 172.47 2d5m s GLN 125 N -0.79 1.64 -0.21 1.40 0.74 -1.26 -0.98 119.66 120.21 2d5m s GLN 125 Ca -0.09 -1.26 -0.09 0.00 0.05 0.00 0.00 55.36 53.97 2d5m s GLN 125 Cb -0.05 -2.73 -0.05 0.00 1.10 0.00 0.00 33.01 31.29 2d5m s GLN 125 CO 0.02 -0.70 0.11 0.42 -0.55 0.00 0.00 175.29 174.59 2d5m s ILE 126 N 1.25 5.08 -0.14 -2.34 1.01 0.22 -4.97 121.20 121.32 2d5m s ILE 126 Ca -0.02 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 2d5m s ILE 126 Cb -0.19 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.01 2d5m s ILE 126 CO -0.08 0.41 0.32 -1.61 0.00 0.00 0.00 174.94 173.98 2d5m s GLU 127 N 0.67 0.26 0.00 2.79 2.02 -1.26 -1.13 118.70 122.05 2d5m s GLU 127 Ca 0.06 0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.76 2d5m s GLU 127 Cb -0.13 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2d5m s GLU 127 CO 0.01 -0.20 0.00 1.58 0.02 0.00 0.00 175.26 176.68 2d5m n HIS 131 N 4.59 0.00 -4.18 1.61 -0.00 -1.26 -5.02 115.22 110.96 2d5m n HIS 131 Ca -0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.29 2d5m n HIS 131 Cb 0.53 -0.42 -0.17 0.00 -0.00 0.00 0.00 29.99 29.93 2d5m n HIS 131 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2d5m s THR 132 N -0.75 0.85 -0.12 3.57 2.01 -1.26 -5.14 115.64 114.80 2d5m s THR 132 Ca 0.00 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 2d5m s THR 132 Cb 0.00 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.69 2d5m s THR 132 CO 0.00 0.31 0.32 -1.10 -0.69 0.00 0.00 174.62 173.47 2d5m s GLN 133 N 1.19 0.37 -0.13 4.92 -0.21 -0.28 -4.14 119.66 121.38 2d5m s GLN 133 Ca -0.06 0.47 -0.13 0.00 0.02 0.00 0.00 55.36 55.66 2d5m s GLN 133 Cb -0.14 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 2d5m s GLN 133 CO -0.02 -0.05 0.28 -0.06 -2.12 0.00 0.00 175.29 173.32 2d5m s PHE 134 N 0.25 3.52 -0.26 0.91 0.40 -0.06 -0.61 117.98 122.13 2d5m s PHE 134 Ca -0.01 0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.90 2d5m s PHE 134 Cb -0.03 -2.27 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 2d5m s PHE 134 CO -0.00 0.37 0.02 0.42 0.70 0.00 0.00 175.22 176.73 2d5m s ILE 135 N 0.02 3.72 -0.13 0.64 -1.09 -0.15 -1.11 121.20 123.10 2d5m s ILE 135 Ca 0.17 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 2d5m s ILE 135 Cb -0.13 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 2d5m s ILE 135 CO 0.05 0.25 0.02 -0.83 -1.23 0.00 0.00 174.94 173.20 2d5m s GLY 136 N 1.50 1.86 -0.05 6.18 0.00 0.06 -0.69 107.32 116.18 2d5m s GLY 136 Ca 0.04 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.69 2d5m s GLY 136 CO 0.00 -0.29 0.93 1.85 0.00 0.00 0.00 173.10 175.59 2d5m s GLU 137 N -0.31 4.48 -0.24 2.90 2.12 0.59 -1.21 118.70 127.03 2d5m s GLU 137 Ca 0.07 1.30 -0.29 0.00 0.36 0.00 0.00 54.97 56.41 2d5m s GLU 137 Cb -0.12 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 2d5m s GLU 137 CO 0.02 -0.12 1.36 0.42 -0.54 0.00 0.00 175.26 176.39 2d5m s ILE 138 N 1.33 4.08 -0.13 -3.70 1.01 0.23 -1.29 121.20 122.74 2d5m s ILE 138 Ca 0.48 1.25 0.16 0.00 0.00 0.00 0.00 60.65 62.54 2d5m s ILE 138 Cb -0.19 -4.02 -0.23 0.00 0.01 0.00 0.00 42.46 38.03 2d5m s ILE 138 CO 0.23 -0.34 0.39 0.23 0.00 0.00 0.00 174.94 175.44 2d5m n MET 139 N 7.19 0.66 -3.58 2.79 2.81 0.68 -4.80 117.12 122.86 2d5m n MET 139 Ca 0.15 0.12 -0.13 0.00 -1.81 0.00 0.00 57.70 56.03 2d5m n MET 139 Cb 0.46 -1.65 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 2d5m n MET 139 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2d5m s ASP 140 N -5.69 -0.54 -0.16 7.83 2.15 -1.20 -4.99 116.67 114.07 2d5m s ASP 140 Ca -0.07 0.78 0.02 0.00 0.43 0.00 0.00 52.55 53.71 2d5m s ASP 140 Cb 0.07 0.70 0.01 0.00 -0.30 0.00 0.00 42.92 43.41 2d5m s ASP 140 CO 0.83 -0.37 -0.21 -0.69 -0.17 0.00 0.00 175.17 174.57 2d5m s VAL 141 N -0.59 2.09 -0.12 1.11 1.01 -1.26 -1.06 120.40 121.58 2d5m s VAL 141 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2d5m s VAL 141 Cb -0.02 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2d5m s VAL 141 CO 0.02 0.54 -0.12 -0.54 0.00 0.00 0.00 175.10 175.01 2d5m s LYS 142 N 1.02 3.24 -0.01 2.72 1.02 0.62 -5.00 119.74 123.35 2d5m s LYS 142 Ca -0.02 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.33 2d5m s LYS 142 Cb -0.14 -2.62 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2d5m s LYS 142 CO -0.06 0.31 -0.07 0.08 -0.92 0.00 0.00 175.35 174.68 2d5m s VAL 143 N 0.11 0.58 0.19 3.17 1.01 -1.26 -0.95 120.40 123.25 2d5m s VAL 143 Ca -0.05 -0.30 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 2d5m s VAL 143 Cb -0.15 -0.50 -0.15 0.00 0.00 0.00 0.00 36.38 35.59 2d5m s VAL 143 CO 0.04 0.17 1.31 0.47 0.00 0.00 0.00 175.10 177.10 2d5m n ASP 144 N 3.02 2.10 -0.08 3.32 8.00 -0.22 -4.85 116.55 127.83 2d5m n ASP 144 Ca -0.14 1.14 0.10 0.00 0.71 0.00 0.00 54.79 56.59 2d5m n ASP 144 Cb 0.57 -1.32 0.47 0.00 -0.02 0.00 0.00 41.12 40.82 2d5m n ASP 144 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2d5m h GLU 145 N 4.02 0.46 0.00 -1.24 5.08 -1.98 -0.09 114.58 120.82 2d5m h GLU 145 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2d5m h GLU 145 Cb 1.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2d5m h GLU 145 CO 0.74 0.30 0.00 0.66 -1.00 0.00 0.00 179.01 179.72 2d5m h SER 146 N 0.47 0.00 -0.38 1.42 4.64 -1.99 -2.60 113.55 115.11 2d5m h SER 146 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2d5m h SER 146 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2d5m h SER 146 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 2d5m s LEU 148 N -1.49 4.36 0.78 0.00 1.43 -0.98 -0.77 118.68 122.01 2d5m s LEU 148 Ca 0.38 0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 2d5m s LEU 148 Cb 0.23 -2.77 0.08 0.00 0.03 0.00 0.00 46.19 43.75 2d5m s LEU 148 CO 0.31 0.22 1.13 -0.13 0.23 0.00 0.00 176.35 178.12 2d5m s ARG 149 N -2.11 1.94 0.56 1.70 0.52 0.33 -4.82 118.95 117.07 2d5m s ARG 149 Ca 0.30 -0.07 0.24 0.00 -0.52 0.00 0.00 55.73 55.69 2d5m s ARG 149 Cb -0.13 -2.02 1.60 0.00 0.52 0.00 0.00 34.95 34.92 2d5m s ARG 149 CO 0.21 -1.53 2.21 -0.44 0.02 0.00 0.00 175.30 175.77 2d5m h ASP 150 N -0.94 0.00 -0.02 0.23 5.19 -1.99 -0.26 116.42 118.62 2d5m h ASP 150 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2d5m h ASP 150 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2d5m h ASP 150 CO 0.62 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.84 2d5m n ASP 151 N -4.11 0.33 0.00 6.45 5.75 -1.26 -4.89 116.55 118.82 2d5m n ASP 151 Ca -0.03 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 2d5m n ASP 151 Cb 0.09 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2d5m n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2d5m n GLY 152 N 0.92 0.80 3.93 6.12 0.00 -0.11 -5.06 105.19 111.79 2d5m n GLY 152 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2d5m n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d5m s LEU 153 N 0.00 4.03 0.57 0.99 1.43 -1.26 -4.80 118.68 119.64 2d5m s LEU 153 Ca 0.00 0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 53.42 2d5m s LEU 153 Cb 0.00 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 2d5m s LEU 153 CO 0.00 -0.27 1.08 -2.84 0.23 0.00 0.00 176.35 174.55 2d5m s PRO 154 N -4.14 3.35 -0.47 1.29 0.02 -1.26 -0.51 135.00 133.28 2d5m s PRO 154 Ca 0.40 1.37 -0.19 0.00 0.02 0.00 0.00 61.00 62.60 2d5m s PRO 154 Cb -0.10 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.44 2d5m s PRO 154 CO 0.35 -0.81 0.57 0.34 -0.33 0.00 0.00 177.00 177.12 2d5m s ASP 155 N -2.33 6.24 0.48 2.53 3.68 0.05 -4.72 116.67 122.59 2d5m s ASP 155 Ca 0.67 -0.74 0.14 0.00 2.13 0.00 0.00 52.55 54.75 2d5m s ASP 155 Cb -0.19 -2.28 1.12 0.00 -1.45 0.00 0.00 42.92 40.13 2d5m s ASP 155 CO 0.31 -0.78 2.09 -0.29 0.13 0.00 0.00 175.17 176.63 2d5m h ILE 156 N 5.83 1.00 0.00 4.11 2.10 -1.95 -0.43 117.51 128.16 2d5m h ILE 156 Ca -0.27 -0.08 -0.08 0.00 1.08 0.00 0.00 64.86 65.52 2d5m h ILE 156 Cb 1.10 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 2d5m h ILE 156 CO 0.90 0.04 -0.37 0.78 -1.08 0.00 0.00 178.15 178.43 2d5m h ASN 157 N 0.23 0.00 0.06 2.19 -0.26 -1.93 0.11 115.58 115.98 2d5m h ASN 157 Ca 0.10 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.61 2d5m h ASN 157 Cb 0.13 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2d5m h ASN 157 CO -0.02 0.37 -0.93 0.11 -1.06 0.00 0.00 177.43 175.89 2d5m h LYS 158 N 0.00 0.52 -0.55 0.81 1.57 -1.47 -3.22 116.57 114.23 2d5m h LYS 158 Ca -0.00 -0.65 0.07 0.00 -1.87 0.00 0.00 60.65 58.20 2d5m h LYS 158 Cb 0.90 0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 2d5m h LYS 158 CO 0.05 1.26 0.21 0.28 -0.57 0.00 0.00 179.45 180.68 2d5m h VAL 159 N 0.08 0.82 -5.54 0.50 2.07 -1.09 -3.47 116.25 109.63 2d5m h VAL 159 Ca -0.13 -0.14 -0.30 0.00 0.82 0.00 0.00 66.70 66.95 2d5m h VAL 159 Cb 1.64 0.39 0.18 0.00 -1.52 0.00 0.00 31.29 31.98 2d5m h VAL 159 CO 0.18 0.07 -0.80 -0.67 0.02 0.00 0.00 177.57 176.38 2d5m n ASP 160 N -4.98 -3.80 -4.79 0.57 4.64 0.38 -4.37 116.55 104.20 2d5m n ASP 160 Ca 0.07 -0.65 -0.32 0.00 -1.38 0.00 0.00 54.79 52.51 2d5m n ASP 160 Cb 0.22 -5.11 0.04 0.00 -1.04 0.00 0.00 41.12 35.22 2d5m n ASP 160 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2d5m s PRO 161 N -4.97 2.98 0.07 -0.67 0.04 -1.26 -2.64 135.00 128.56 2d5m s PRO 161 Ca 0.17 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 2d5m s PRO 161 Cb -0.02 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2d5m s PRO 161 CO 0.73 -1.08 0.54 0.08 0.04 0.00 0.00 177.00 177.30 2d5m s VAL 162 N -2.59 4.81 -0.12 -0.36 1.01 -1.08 -3.87 120.40 118.20 2d5m s VAL 162 Ca 0.63 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 2d5m s VAL 162 Cb -0.17 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2d5m s VAL 162 CO 0.44 0.50 0.01 -0.63 0.00 0.00 0.00 175.10 175.42 2d5m s ILE 163 N -1.17 4.38 -0.19 2.22 1.01 0.08 -3.68 121.20 123.85 2d5m s ILE 163 Ca 0.30 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 2d5m s ILE 163 Cb -0.18 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2d5m s ILE 163 CO 0.18 0.56 0.10 0.12 0.00 0.00 0.00 174.94 175.90 2d5m s PHE 164 N -0.41 3.35 -0.49 3.97 5.36 -0.25 -1.13 117.98 128.39 2d5m s PHE 164 Ca 0.08 0.23 -0.15 0.00 -0.96 0.00 0.00 56.93 56.12 2d5m s PHE 164 Cb -0.12 -2.13 0.08 0.00 -0.34 0.00 0.00 43.02 40.51 2d5m s PHE 164 CO 0.02 0.23 0.42 0.00 -1.46 0.00 0.00 175.22 174.43 2d5m s ALA 165 N 0.37 3.58 0.72 11.12 0.00 0.30 -2.98 121.76 134.86 2d5m s ALA 165 Ca 0.06 -2.20 -0.12 0.00 0.00 0.00 0.00 51.96 49.70 2d5m s ALA 165 Cb -0.12 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 19.93 2d5m s ALA 165 CO -0.01 -1.79 1.09 -1.25 0.00 0.00 0.00 175.76 173.80 2d5m s PRO 166 N 1.63 2.59 0.00 0.00 0.04 -1.26 -1.18 135.00 136.81 2d5m s PRO 166 Ca 0.04 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2d5m s PRO 166 Cb -0.25 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2d5m s PRO 166 CO 0.06 -1.39 0.00 0.28 0.04 0.00 0.00 177.00 175.99 2d5m n VAL 167 N -3.11 0.00 0.26 -0.36 0.31 -1.26 -4.09 118.33 110.08 2d5m n VAL 167 Ca 0.09 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.56 2d5m n VAL 167 Cb 0.53 0.00 0.62 0.00 -0.91 0.00 0.00 33.84 34.08 2d5m n VAL 167 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2d5m h SER 168 N 0.00 0.00 -5.28 4.52 4.64 -1.97 -3.48 113.55 111.98 2d5m h SER 168 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2d5m h SER 168 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 2d5m h SER 168 CO 0.00 0.09 -0.35 0.54 -0.87 0.00 0.00 176.83 176.24 2d5m n ARG 169 N -3.24 -1.63 -4.10 4.77 1.74 -0.33 -5.03 116.66 108.84 2d5m n ARG 169 Ca 0.00 1.18 -0.09 0.00 -0.77 0.00 0.00 57.85 58.17 2d5m n ARG 169 Cb 0.34 -5.59 -0.10 0.00 -1.02 0.00 0.00 32.46 26.09 2d5m n ARG 169 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2d5m s GLU 170 N -3.57 0.64 -0.05 5.56 2.02 -1.00 -5.00 118.70 117.30 2d5m s GLU 170 Ca 0.19 -1.12 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2d5m s GLU 170 Cb -0.02 -0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.18 2d5m s GLU 170 CO 0.71 -0.05 -0.16 0.71 0.02 0.00 0.00 175.26 176.48 2d5m s TYR 171 N -3.19 2.64 0.10 1.61 4.12 -1.26 -0.54 117.35 120.83 2d5m s TYR 171 Ca 0.03 -0.24 0.05 0.00 0.02 0.00 0.00 57.07 56.93 2d5m s TYR 171 Cb 0.03 -1.62 -0.03 0.00 -1.52 0.00 0.00 41.96 38.81 2d5m s TYR 171 CO -0.06 0.12 -0.12 0.71 0.02 0.00 0.00 175.55 176.22 2d5m s TYR 172 N -0.64 1.20 0.56 2.71 2.02 -0.28 -4.97 117.35 117.94 2d5m s TYR 172 Ca 0.10 -0.57 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 2d5m s TYR 172 Cb -0.11 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.79 2d5m s TYR 172 CO 0.01 0.06 0.88 0.00 -1.57 0.00 0.00 175.55 174.93 2d5m s ALA 173 N -2.04 3.30 0.21 3.71 0.00 -1.26 -0.74 121.76 124.93 2d5m s ALA 173 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 2d5m s ALA 173 Cb -0.05 -2.65 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 2d5m s ALA 173 CO 0.02 -0.66 1.01 0.08 0.00 0.00 0.00 175.76 176.20 2d5m s VAL 174 N -2.94 4.01 0.00 0.00 1.01 -1.25 -4.86 120.40 116.37 2d5m s VAL 174 Ca 0.52 1.87 0.00 0.00 0.00 0.00 0.00 61.98 64.37 2d5m s VAL 174 Cb -0.11 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2d5m s VAL 174 CO 0.46 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.56 2d5m n GLY 175 N 1.73 1.83 3.86 4.51 0.00 -1.26 -5.00 105.19 110.85 2d5m n GLY 175 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2d5m n GLY 175 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2d5m s GLU 176 N 4.25 3.89 0.30 1.61 1.03 -1.26 -4.92 118.70 123.59 2d5m s GLU 176 Ca 0.00 0.72 -0.30 0.00 0.03 0.00 0.00 54.97 55.43 2d5m s GLU 176 Cb 0.00 -2.27 -0.12 0.00 -0.80 0.00 0.00 34.13 30.93 2d5m s GLU 176 CO 0.00 -0.12 1.41 0.34 -1.33 0.00 0.00 175.26 175.55 2d5m n PHE 177 N -1.33 2.40 -0.08 4.83 -0.00 -1.26 -4.95 117.46 117.07 2d5m n PHE 177 Ca 0.04 0.44 -0.17 0.00 -0.00 0.00 0.00 57.45 57.76 2d5m n PHE 177 Cb 0.54 -2.48 -0.06 0.00 -0.00 0.00 0.00 39.48 37.49 2d5m n PHE 177 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2d5m n LEU 178 N 1.56 1.30 -3.61 -2.13 4.77 -1.26 -5.13 117.00 112.50 2d5m n LEU 178 Ca 0.08 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 56.24 2d5m n LEU 178 Cb 0.35 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2d5m n LEU 178 CO 0.63 0.26 0.88 0.00 -1.33 0.00 0.00 177.39 177.83 2d5m s ALA 179 N -2.36 -1.97 -0.02 -1.18 0.00 -1.26 -5.15 121.76 109.82 2d5m s ALA 179 Ca -0.24 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 2d5m s ALA 179 Cb 0.09 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 2d5m s ALA 179 CO 0.31 -0.81 0.64 0.15 0.00 0.00 0.00 175.76 176.05 2d5m s LYS 180 N -2.76 4.38 0.52 0.00 1.02 -1.26 -5.02 119.74 116.62 2d5m s LYS 180 Ca 0.10 0.80 -0.17 0.00 0.02 0.00 0.00 55.97 56.72 2d5m s LYS 180 Cb 0.00 -3.38 -0.07 0.00 -0.52 0.00 0.00 37.83 33.86 2d5m s LYS 180 CO -0.04 0.25 1.00 0.00 -0.92 0.00 0.00 175.35 175.64 2d5m s ALA 181 N 0.17 2.99 -1.49 5.17 0.00 -1.26 -1.23 121.76 126.10 2d5m s ALA 181 Ca 0.34 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 2d5m s ALA 181 Cb -0.18 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 19.85 2d5m s ALA 181 CO 0.18 -0.34 1.02 1.19 0.00 0.00 0.00 175.76 177.81 2d5m n PHE 182 N -1.58 -2.43 0.14 0.00 3.01 -1.26 -4.66 117.46 110.68 2d5m n PHE 182 Ca 0.07 0.91 0.00 0.00 1.01 0.00 0.00 57.45 59.45 2d5m n PHE 182 Cb 0.54 -4.22 0.00 0.00 -0.01 0.00 0.00 39.48 35.79 2d5m n PHE 182 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2d5m n SER 183 N -2.85 -2.49 -0.24 4.37 2.88 -1.24 -4.95 113.62 109.09 2d5m n SER 183 Ca 0.03 0.57 0.08 0.00 -1.33 0.00 0.00 58.87 58.22 2d5m n SER 183 Cb 0.53 2.50 0.33 0.00 -0.75 0.00 0.00 64.21 66.83 2d5m n SER 183 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d5m h ALA 184 N 0.00 1.70 0.00 -1.46 0.00 -1.44 -1.55 119.26 116.52 2d5m h ALA 184 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2d5m h ALA 184 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2d5m h ALA 184 CO 0.00 0.13 -0.04 0.78 0.00 0.00 0.00 179.25 180.13 2d5m h GLY 185 N 0.80 0.00 1.00 0.00 0.00 -1.93 -3.51 103.07 99.43 2d5m h GLY 185 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2d5m h GLY 185 CO -0.15 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.67