#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 12e8 s VAL 2 N 0.00 4.66 -0.07 6.31 1.01 -1.26 -3.80 120.40 127.25 12e8 s VAL 2 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 12e8 s VAL 2 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.27 12e8 s VAL 2 CO 0.00 0.40 0.28 -1.58 0.00 0.00 0.00 175.10 174.20 12e8 s GLN 3 N 0.90 0.44 -0.27 2.72 0.74 -0.22 -5.02 119.66 118.95 12e8 s GLN 3 Ca 0.04 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.63 12e8 s GLN 3 Cb -0.14 0.20 0.05 0.00 1.10 0.00 0.00 33.01 34.22 12e8 s GLN 3 CO 0.03 -0.08 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.11 12e8 s LEU 4 N -0.37 3.47 -0.26 3.68 1.02 -1.26 -1.25 118.68 123.70 12e8 s LEU 4 Ca -0.05 -1.18 -0.08 0.00 0.02 0.00 0.00 54.13 52.83 12e8 s LEU 4 Cb -0.03 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 12e8 s LEU 4 CO 0.01 -0.19 0.10 -1.58 0.02 0.00 0.00 176.35 174.72 12e8 s GLN 5 N 1.22 3.65 0.21 1.70 2.00 0.06 -3.79 119.66 124.71 12e8 s GLN 5 Ca -0.05 -0.49 0.05 0.00 -2.00 0.00 0.00 55.36 52.86 12e8 s GLN 5 Cb -0.19 -3.42 -0.03 0.00 0.80 0.00 0.00 33.01 30.17 12e8 s GLN 5 CO -0.04 -0.23 0.31 -0.65 -0.50 0.00 0.00 175.29 174.19 12e8 s GLN 6 N 1.64 3.36 0.83 1.67 -0.21 -1.26 -0.09 119.66 125.60 12e8 s GLN 6 Ca 0.06 -0.76 -0.11 0.00 0.02 0.00 0.00 55.36 54.57 12e8 s GLN 6 Cb -0.16 -2.86 0.09 0.00 1.00 0.00 0.00 33.01 31.09 12e8 s GLN 6 CO 0.05 0.45 1.09 -1.54 -2.12 0.00 0.00 175.29 173.23 12e8 s SER 7 N -3.73 4.00 0.86 5.90 1.04 -0.86 -4.98 113.70 115.94 12e8 s SER 7 Ca 0.34 1.62 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 12e8 s SER 7 Cb -0.09 -2.31 0.11 0.00 0.10 0.00 0.00 66.02 63.82 12e8 s SER 7 CO 0.28 -2.32 1.09 -0.83 0.98 0.00 0.00 173.24 172.44 12e8 s GLY 8 N -3.45 1.64 0.45 7.32 0.00 -1.26 -4.61 107.32 107.41 12e8 s GLY 8 Ca 0.62 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 45.22 12e8 s GLY 8 CO 0.56 0.56 1.24 0.00 0.00 0.00 0.00 173.10 175.47 12e8 n ALA 9 N -3.84 1.17 -2.64 3.20 0.00 -1.26 -4.80 120.51 112.35 12e8 n ALA 9 Ca 0.08 0.23 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 12e8 n ALA 9 Cb 0.54 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.58 12e8 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 12e8 s GLU 10 N -2.32 1.71 -0.29 0.00 0.41 -0.24 -4.98 118.70 112.98 12e8 s GLU 10 Ca 0.63 -0.67 -0.02 0.00 -0.41 0.00 0.00 54.97 54.50 12e8 s GLU 10 Cb -0.49 -1.57 0.04 0.00 -1.78 0.00 0.00 34.13 30.33 12e8 s GLU 10 CO 0.56 0.35 0.00 0.08 -0.49 0.00 0.00 175.26 175.76 12e8 s VAL 11 N -0.25 3.10 0.23 2.63 1.01 -1.26 -0.78 120.40 125.08 12e8 s VAL 11 Ca 0.03 -1.26 0.11 0.00 0.00 0.00 0.00 61.98 60.85 12e8 s VAL 11 Cb -0.09 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 12e8 s VAL 11 CO 0.01 -0.05 -0.20 0.68 0.00 0.00 0.00 175.10 175.54 12e8 s VAL 12 N 1.29 2.23 0.21 2.92 -7.23 0.12 -4.97 120.40 114.97 12e8 s VAL 12 Ca -0.04 -2.22 -0.23 0.00 -1.81 0.00 0.00 61.98 57.69 12e8 s VAL 12 Cb -0.19 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 12e8 s VAL 12 CO -0.01 -0.35 0.78 -0.13 -0.31 0.00 0.00 175.10 175.07 12e8 s ARG 13 N -3.23 4.45 0.38 4.82 0.52 -1.26 -1.98 118.95 122.66 12e8 s ARG 13 Ca 0.24 1.07 -0.27 0.00 -0.52 0.00 0.00 55.73 56.25 12e8 s ARG 13 Cb -0.05 -3.05 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 12e8 s ARG 13 CO 0.11 0.47 1.31 0.43 0.02 0.00 0.00 175.30 177.64 12e8 n SER 14 N 1.12 2.84 0.00 0.23 7.64 -0.89 -2.04 113.62 122.52 12e8 n SER 14 Ca -0.03 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.01 12e8 n SER 14 Cb 0.50 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 12e8 n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 12e8 n GLY 15 N 0.73 3.21 0.02 0.23 0.00 0.68 -4.92 105.19 105.14 12e8 n GLY 15 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 12e8 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 12e8 n ALA 16 N -1.51 -0.00 -2.25 4.61 0.00 -0.86 -4.33 120.51 116.16 12e8 n ALA 16 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 12e8 n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 12e8 n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 12e8 s SER 17 N -1.02 1.54 -0.06 0.00 0.01 -1.26 -1.77 113.70 111.15 12e8 s SER 17 Ca 0.00 -0.99 -0.12 0.00 1.31 0.00 0.00 55.95 56.16 12e8 s SER 17 Cb -0.00 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.28 12e8 s SER 17 CO 0.00 -0.36 0.28 0.54 0.41 0.00 0.00 173.24 174.10 12e8 s VAL 18 N -3.31 0.03 -0.20 3.43 0.11 -0.41 -4.99 120.40 115.07 12e8 s VAL 18 Ca 0.14 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 12e8 s VAL 18 Cb 0.03 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 12e8 s VAL 18 CO -0.01 -0.16 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.72 12e8 s LYS 19 N -0.64 2.28 0.14 1.54 2.20 -1.26 -0.69 119.74 123.31 12e8 s LYS 19 Ca -0.07 -0.87 -0.10 0.00 -0.36 0.00 0.00 55.97 54.57 12e8 s LYS 19 Cb -0.04 -2.46 -0.06 0.00 -1.51 0.00 0.00 37.83 33.75 12e8 s LYS 19 CO 0.02 -0.38 0.46 -0.51 -0.36 0.00 0.00 175.35 174.59 12e8 s LEU 20 N 1.35 4.29 0.21 5.43 1.02 0.48 -4.91 118.68 126.54 12e8 s LEU 20 Ca -0.00 0.85 0.11 0.00 0.02 0.00 0.00 54.13 55.11 12e8 s LEU 20 Cb -0.16 -3.27 -0.05 0.00 0.02 0.00 0.00 46.19 42.73 12e8 s LEU 20 CO -0.09 0.08 -0.21 -0.94 0.02 0.00 0.00 176.35 175.20 12e8 s SER 21 N -2.01 3.57 -0.18 2.29 1.04 -1.26 -0.87 113.70 116.27 12e8 s SER 21 Ca 0.39 -0.87 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 12e8 s SER 21 Cb -0.13 -0.32 0.08 0.00 0.10 0.00 0.00 66.02 65.74 12e8 s SER 21 CO 0.20 0.10 0.17 0.00 0.98 0.00 0.00 173.24 174.69 12e8 s THR 23 N 2.26 4.13 0.06 0.00 2.01 0.87 -0.71 115.64 124.26 12e8 s THR 23 Ca 0.05 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 12e8 s THR 23 Cb -0.16 -2.88 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 12e8 s THR 23 CO -0.11 0.42 0.54 0.00 -0.69 0.00 0.00 174.62 174.78 12e8 s ALA 24 N 0.96 3.61 -0.03 7.40 0.00 0.02 -0.76 121.76 132.96 12e8 s ALA 24 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.97 12e8 s ALA 24 Cb -0.14 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.41 12e8 s ALA 24 CO 0.02 0.42 -0.04 -1.54 0.00 0.00 0.00 175.76 174.62 12e8 s SER 25 N -1.12 0.77 0.00 0.00 1.04 -0.38 -4.78 113.70 109.23 12e8 s SER 25 Ca 0.28 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.60 12e8 s SER 25 Cb -0.19 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.63 12e8 s SER 25 CO 0.18 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.99 12e8 n GLY 26 N 3.70 0.82 3.61 7.32 0.00 -1.25 -1.06 105.19 118.33 12e8 n GLY 26 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 12e8 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 12e8 s PHE 27 N -2.05 -0.08 -0.20 1.61 -0.12 -1.26 -4.58 117.98 111.30 12e8 s PHE 27 Ca 0.00 -0.01 -0.03 0.00 -0.05 0.00 0.00 56.93 56.84 12e8 s PHE 27 Cb 0.00 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 12e8 s PHE 27 CO 0.00 -0.25 -0.07 -0.80 -0.05 0.00 0.00 175.22 174.04 12e8 s ASN 28 N -2.67 4.14 0.63 1.98 0.01 -1.26 -4.89 114.94 112.87 12e8 s ASN 28 Ca 0.12 -0.41 0.27 0.00 -0.71 0.00 0.00 52.86 52.13 12e8 s ASN 28 Cb 0.03 -1.69 1.39 0.00 0.41 0.00 0.00 41.25 41.38 12e8 s ASN 28 CO -0.04 0.01 1.80 0.16 -1.51 0.00 0.00 177.10 177.52 12e8 h ILE 29 N 5.69 0.17 -0.91 0.60 3.07 -1.92 -1.29 117.51 122.91 12e8 h ILE 29 Ca -0.40 0.00 0.23 0.00 1.55 0.00 0.00 64.86 66.24 12e8 h ILE 29 Cb 1.16 0.55 -0.06 0.00 -0.27 0.00 0.00 36.82 38.21 12e8 h ILE 29 CO 0.60 0.00 0.62 0.50 -1.05 0.00 0.00 178.15 178.82 12e8 h LYS 30 N 0.00 0.25 -0.65 0.16 3.64 -1.93 0.13 116.57 118.16 12e8 h LYS 30 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 12e8 h LYS 30 Cb 1.16 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 12e8 h LYS 30 CO -0.00 0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 12e8 n ASP 31 N -4.43 4.53 -3.90 4.20 8.00 -0.49 -3.99 116.55 120.46 12e8 n ASP 31 Ca 0.20 -2.35 -0.22 0.00 0.71 0.00 0.00 54.79 53.13 12e8 n ASP 31 Cb 0.81 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 41.28 12e8 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 12e8 s TYR 32 N -1.65 1.71 -0.18 1.24 1.51 0.03 -4.30 117.35 115.71 12e8 s TYR 32 Ca 0.50 -1.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.13 12e8 s TYR 32 Cb 0.31 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 12e8 s TYR 32 CO 0.26 -0.50 -0.07 0.71 -1.11 0.00 0.00 175.55 174.84 12e8 s TYR 33 N -3.41 2.92 -0.25 2.71 1.51 -0.71 -4.01 117.35 116.12 12e8 s TYR 33 Ca 0.32 -0.74 -0.13 0.00 -1.01 0.00 0.00 57.07 55.51 12e8 s TYR 33 Cb 0.03 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 12e8 s TYR 33 CO 0.19 -0.36 0.26 0.42 -1.11 0.00 0.00 175.55 174.95 12e8 s ILE 34 N 0.94 5.28 0.29 2.71 -1.09 -0.58 -2.41 121.20 126.35 12e8 s ILE 34 Ca -0.01 0.37 0.09 0.00 -2.23 0.00 0.00 60.65 58.87 12e8 s ILE 34 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 12e8 s ILE 34 CO 0.00 0.26 0.07 -1.00 -1.23 0.00 0.00 174.94 173.05 12e8 s HIS 35 N 1.48 2.74 -0.01 3.97 3.76 -0.03 -1.06 115.29 126.14 12e8 s HIS 35 Ca 0.11 -0.27 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 12e8 s HIS 35 Cb -0.15 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.14 12e8 s HIS 35 CO 0.08 0.50 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.76 12e8 s TRP 36 N -2.34 1.17 -0.01 1.40 0.52 -0.75 -0.46 118.94 118.47 12e8 s TRP 36 Ca 0.34 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.24 12e8 s TRP 36 Cb -0.05 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.52 12e8 s TRP 36 CO 0.21 -0.02 -0.01 0.14 0.02 0.00 0.00 176.95 177.29 12e8 s VAL 37 N -0.30 0.14 -0.02 4.03 -7.23 -0.46 -1.01 120.40 115.56 12e8 s VAL 37 Ca 0.05 -0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 12e8 s VAL 37 Cb -0.05 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 12e8 s VAL 37 CO -0.00 0.06 0.20 -0.75 -0.31 0.00 0.00 175.10 174.30 12e8 s LYS 38 N 0.19 3.48 -0.21 4.82 2.20 0.67 -1.41 119.74 129.47 12e8 s LYS 38 Ca -0.02 -0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.34 12e8 s LYS 38 Cb -0.04 -3.11 0.07 0.00 -1.51 0.00 0.00 37.83 33.24 12e8 s LYS 38 CO -0.01 0.69 0.05 -1.14 -0.36 0.00 0.00 175.35 174.58 12e8 s GLN 39 N -1.74 0.61 0.35 4.03 0.74 -0.02 -0.05 119.66 123.58 12e8 s GLN 39 Ca 0.25 -0.49 -0.12 0.00 0.05 0.00 0.00 55.36 55.06 12e8 s GLN 39 Cb -0.13 -2.03 -0.07 0.00 1.10 0.00 0.00 33.01 31.88 12e8 s GLN 39 CO 0.16 -0.70 0.72 1.03 -0.55 0.00 0.00 175.29 175.95 12e8 s ARG 40 N 1.86 3.85 0.24 1.67 0.52 -1.17 -1.15 118.95 124.77 12e8 s ARG 40 Ca 0.01 0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.40 12e8 s ARG 40 Cb -0.17 -2.44 -0.13 0.00 0.52 0.00 0.00 34.95 32.73 12e8 s ARG 40 CO -0.12 0.08 1.47 -2.30 0.02 0.00 0.00 175.30 174.45 12e8 n PRO 41 N -0.85 2.19 -2.24 3.54 -0.02 -1.26 -2.02 135.00 134.35 12e8 n PRO 41 Ca 0.02 0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 62.09 12e8 n PRO 41 Cb 0.54 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 12e8 n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 12e8 n GLU 42 N 2.28 -1.56 -3.53 -0.52 -0.58 -1.26 -4.95 120.64 110.53 12e8 n GLU 42 Ca 0.12 1.01 -0.12 0.00 -0.42 0.00 0.00 57.16 57.75 12e8 n GLU 42 Cb 0.32 -5.57 -0.10 0.00 -0.57 0.00 0.00 31.44 25.52 12e8 n GLU 42 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 12e8 s LYS 43 N -4.77 0.26 1.09 3.49 2.36 -0.85 -5.15 119.74 116.17 12e8 s LYS 43 Ca 0.00 0.65 -0.20 0.00 -2.55 0.00 0.00 55.97 53.88 12e8 s LYS 43 Cb 0.00 -0.29 0.07 0.00 -1.05 0.00 0.00 37.83 36.56 12e8 s LYS 43 CO 0.00 -0.46 -0.20 0.41 1.55 0.00 0.00 175.35 176.65 12e8 n GLY 44 N 5.36 -2.58 3.75 5.54 0.00 -1.26 -3.02 105.19 112.97 12e8 n GLY 44 Ca -0.06 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 12e8 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 12e8 s LEU 45 N 0.30 4.37 -0.10 0.99 1.43 -1.26 -4.42 118.68 119.98 12e8 s LEU 45 Ca 0.50 2.78 0.02 0.00 -1.03 0.00 0.00 54.13 56.40 12e8 s LEU 45 Cb -0.07 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.53 12e8 s LEU 45 CO 0.62 -0.78 -0.16 -1.83 0.23 0.00 0.00 176.35 174.43 12e8 s GLU 46 N -0.45 2.24 0.25 1.70 -1.05 0.92 -4.96 118.70 117.36 12e8 s GLU 46 Ca 0.61 -0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 12e8 s GLU 46 Cb -0.44 -1.87 -0.09 0.00 -0.44 0.00 0.00 34.13 31.28 12e8 s GLU 46 CO 0.45 -0.03 1.31 -0.46 0.95 0.00 0.00 175.26 177.48 12e8 s TRP 47 N 0.90 3.19 -0.26 4.83 -0.00 -1.26 -0.24 118.94 126.10 12e8 s TRP 47 Ca -0.08 1.29 -0.01 0.00 -0.00 0.00 0.00 56.10 57.30 12e8 s TRP 47 Cb -0.15 -3.63 -0.16 0.00 -0.00 0.00 0.00 33.47 29.53 12e8 s TRP 47 CO -0.00 -1.87 -0.25 -0.89 -0.00 0.00 0.00 176.95 173.94 12e8 n ILE 48 N 1.90 1.47 -2.58 5.86 5.41 -0.18 -4.83 119.36 126.42 12e8 n ILE 48 Ca 0.04 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.26 12e8 n ILE 48 Cb 0.42 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 12e8 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 12e8 n GLY 49 N 2.10 -0.49 3.14 7.39 0.00 -1.22 -1.80 105.19 114.31 12e8 n GLY 49 Ca -0.47 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 12e8 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 12e8 s TRP 50 N -2.68 0.80 0.02 1.61 1.48 -0.75 -1.81 118.94 117.61 12e8 s TRP 50 Ca 0.00 -1.19 0.03 0.00 -1.06 0.00 0.00 56.10 53.89 12e8 s TRP 50 Cb 0.00 -0.47 -0.01 0.00 -1.16 0.00 0.00 33.47 31.83 12e8 s TRP 50 CO 0.00 -0.47 -0.10 -1.50 -4.06 0.00 0.00 176.95 170.81 12e8 s ILE 51 N -4.00 0.81 -0.57 0.66 2.07 -0.22 -0.85 121.20 119.10 12e8 s ILE 51 Ca 0.20 -0.68 -0.10 0.00 -1.41 0.00 0.00 60.65 58.66 12e8 s ILE 51 Cb 0.08 -0.73 0.14 0.00 0.13 0.00 0.00 42.46 42.08 12e8 s ILE 51 CO -0.01 0.05 0.46 -0.62 -1.91 0.00 0.00 174.94 172.91 12e8 s ASP 52 N -0.71 5.92 0.49 4.50 -1.08 0.96 -1.52 116.67 125.23 12e8 s ASP 52 Ca 0.01 -2.16 0.22 0.00 -0.52 0.00 0.00 52.55 50.10 12e8 s ASP 52 Cb -0.06 -2.06 1.29 0.00 -1.46 0.00 0.00 42.92 40.63 12e8 s ASP 52 CO 0.00 -0.66 2.05 -0.65 0.52 0.00 0.00 175.17 176.44 12e8 h PRO 52 N 8.22 0.00 -0.55 4.34 0.11 -1.78 0.33 132.00 142.67 12e8 h PRO 52 Ca -0.14 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 12e8 h PRO 52 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 12e8 h PRO 52 CO 0.85 0.14 0.09 1.49 -0.21 0.00 0.00 178.00 180.37 12e8 h GLU 53 N 0.00 0.87 -0.00 1.05 4.81 -1.81 -3.35 114.58 116.15 12e8 h GLU 53 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 12e8 h GLU 53 Cb 0.30 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.56 12e8 h GLU 53 CO 0.02 0.81 -0.00 0.44 -0.73 0.00 0.00 179.01 179.55 12e8 n ILE 54 N -4.25 0.00 0.00 2.32 -5.35 -0.84 -5.04 119.36 106.20 12e8 n ILE 54 Ca 0.04 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 12e8 n ILE 54 Cb 0.26 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 12e8 n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 12e8 n GLY 55 N 0.32 2.20 3.76 3.28 0.00 0.11 -5.03 105.19 109.83 12e8 n GLY 55 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 12e8 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 12e8 s ASP 56 N -2.85 6.36 0.12 1.61 1.11 -1.24 -4.72 116.67 117.05 12e8 s ASP 56 Ca 0.00 2.99 0.05 0.00 0.18 0.00 0.00 52.55 55.77 12e8 s ASP 56 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 12e8 s ASP 56 CO 0.00 -0.91 -0.12 0.42 1.18 0.00 0.00 175.17 175.74 12e8 s THR 57 N -0.31 1.18 -0.04 -1.27 -4.23 -1.26 -0.03 115.64 109.68 12e8 s THR 57 Ca 0.60 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 12e8 s THR 57 Cb -0.48 -1.53 0.03 0.00 1.34 0.00 0.00 72.50 71.86 12e8 s THR 57 CO 0.52 -0.52 0.04 -0.70 -0.54 0.00 0.00 174.62 173.42 12e8 s GLU 58 N -2.90 0.02 0.04 3.99 2.12 -0.03 -5.00 118.70 116.94 12e8 s GLU 58 Ca 0.09 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.76 12e8 s GLU 58 Cb -0.03 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 12e8 s GLU 58 CO 0.02 -0.28 -0.06 0.71 -0.54 0.00 0.00 175.26 175.10 12e8 s TYR 59 N 1.86 2.88 0.02 5.30 2.02 -1.26 -1.82 117.35 126.35 12e8 s TYR 59 Ca 0.01 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.35 12e8 s TYR 59 Cb -0.12 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 12e8 s TYR 59 CO -0.03 0.40 1.12 0.54 -1.57 0.00 0.00 175.55 176.02 12e8 s VAL 60 N -1.10 4.36 0.59 0.71 0.11 -0.74 -4.85 120.40 119.48 12e8 s VAL 60 Ca 0.19 1.69 0.31 0.00 -2.93 0.00 0.00 61.98 61.25 12e8 s VAL 60 Cb -0.11 -4.08 0.44 0.00 -1.53 0.00 0.00 36.38 31.10 12e8 s VAL 60 CO 0.11 0.10 1.60 -0.65 -3.33 0.00 0.00 175.10 172.93 12e8 h PRO 61 N 6.92 0.00 -0.75 1.54 0.11 -1.98 0.43 132.00 138.26 12e8 h PRO 61 Ca -0.40 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.74 12e8 h PRO 61 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 12e8 h PRO 61 CO 0.81 0.00 0.50 -0.22 -0.21 0.00 0.00 178.00 178.87 12e8 h LYS 62 N 0.00 0.92 -0.56 1.05 3.64 -1.96 -1.91 116.57 117.75 12e8 h LYS 62 Ca 0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 12e8 h LYS 62 Cb 2.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 12e8 h LYS 62 CO -0.00 0.61 0.00 1.19 -2.27 0.00 0.00 179.45 178.98 12e8 n PHE 63 N -4.44 0.79 -2.35 1.91 3.01 0.15 -4.88 117.46 111.65 12e8 n PHE 63 Ca 0.09 -0.38 -0.42 0.00 1.01 0.00 0.00 57.45 57.75 12e8 n PHE 63 Cb 0.09 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 12e8 n PHE 63 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 12e8 s GLN 64 N -1.32 4.28 0.00 -1.08 2.00 -0.72 -2.30 119.66 120.53 12e8 s GLN 64 Ca 0.37 1.79 0.00 0.00 -2.00 0.00 0.00 55.36 55.53 12e8 s GLN 64 Cb 0.20 -3.65 0.00 0.00 0.80 0.00 0.00 33.01 30.36 12e8 s GLN 64 CO 0.24 -0.59 0.00 0.41 -0.50 0.00 0.00 175.29 174.86 12e8 n GLY 65 N 3.58 0.73 0.91 2.59 0.00 -1.26 -4.86 105.19 106.87 12e8 n GLY 65 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 12e8 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 12e8 n LYS 66 N -2.11 0.05 -4.25 1.61 3.00 -0.98 -4.92 118.16 110.55 12e8 n LYS 66 Ca 0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 58.31 58.03 12e8 n LYS 66 Cb 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 35.03 34.34 12e8 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 12e8 s ALA 67 N -2.04 2.95 -0.09 3.14 0.00 -0.97 -4.19 121.76 120.55 12e8 s ALA 67 Ca -0.03 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 12e8 s ALA 67 Cb 0.01 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.28 12e8 s ALA 67 CO 0.04 0.64 0.09 0.99 0.00 0.00 0.00 175.76 177.52 12e8 s THR 68 N -1.20 -0.13 -0.12 0.00 2.01 -0.27 -4.86 115.64 111.08 12e8 s THR 68 Ca 0.21 0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 12e8 s THR 68 Cb -0.11 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 12e8 s THR 68 CO 0.13 0.02 0.10 -0.04 -0.69 0.00 0.00 174.62 174.14 12e8 s MET 69 N 2.18 3.42 0.16 4.92 -1.94 -1.26 -0.69 119.30 126.09 12e8 s MET 69 Ca 0.04 -0.21 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 12e8 s MET 69 Cb -0.13 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 12e8 s MET 69 CO -0.06 0.70 0.03 0.95 -0.01 0.00 0.00 175.02 176.64 12e8 s THR 70 N -0.82 0.42 0.19 2.05 -4.23 -0.84 -4.99 115.64 107.43 12e8 s THR 70 Ca 0.13 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 12e8 s THR 70 Cb -0.12 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.59 12e8 s THR 70 CO 0.03 -0.42 0.45 0.00 -0.54 0.00 0.00 174.62 174.13 12e8 s ALA 71 N -3.84 -0.58 -0.19 3.99 0.00 -1.26 -0.57 121.76 119.32 12e8 s ALA 71 Ca 0.25 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 12e8 s ALA 71 Cb 0.07 0.87 0.07 0.00 0.00 0.00 0.00 23.12 24.13 12e8 s ALA 71 CO 0.04 -0.76 0.43 0.34 0.00 0.00 0.00 175.76 175.81 12e8 s ASP 72 N -2.92 -0.42 0.17 0.00 2.15 -0.40 -4.99 116.67 110.27 12e8 s ASP 72 Ca 0.13 0.97 0.02 0.00 0.43 0.00 0.00 52.55 54.09 12e8 s ASP 72 Cb 0.00 1.06 0.01 0.00 -0.30 0.00 0.00 42.92 43.69 12e8 s ASP 72 CO -0.01 -0.21 1.39 0.74 -0.17 0.00 0.00 175.17 176.91 12e8 h THR 73 N 5.80 1.47 -1.00 1.71 2.02 -1.86 -1.81 112.91 119.24 12e8 h THR 73 Ca -0.27 -2.52 0.19 0.00 0.77 0.00 0.00 66.41 64.58 12e8 h THR 73 Cb 1.15 2.40 -0.10 0.00 -1.74 0.00 0.00 68.15 69.86 12e8 h THR 73 CO 0.21 0.74 0.61 -1.28 0.37 0.00 0.00 175.52 176.17 12e8 h SER 74 N 0.14 0.75 0.00 4.18 0.87 -1.96 -2.71 113.55 114.81 12e8 h SER 74 Ca -0.04 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 12e8 h SER 74 Cb 1.47 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 12e8 h SER 74 CO 0.13 0.26 -0.04 -1.54 -0.53 0.00 0.00 176.83 175.11 12e8 n SER 75 N -4.73 2.01 -4.23 6.23 3.41 -1.22 -5.01 113.62 110.07 12e8 n SER 75 Ca 0.23 -2.71 -0.32 0.00 -0.26 0.00 0.00 58.87 55.81 12e8 n SER 75 Cb 0.59 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 12e8 n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 12e8 n ASN 76 N -1.08 -0.50 -4.02 4.04 3.02 -0.72 -4.76 115.26 111.24 12e8 n ASN 76 Ca 0.11 -1.15 -0.21 0.00 -0.03 0.00 0.00 54.58 53.30 12e8 n ASN 76 Cb 0.56 -2.21 -0.16 0.00 -0.61 0.00 0.00 39.78 37.37 12e8 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 12e8 s THR 77 N -3.92 0.87 0.06 3.41 2.01 -0.98 -0.80 115.64 116.28 12e8 s THR 77 Ca 0.24 -0.41 0.07 0.00 0.31 0.00 0.00 61.69 61.90 12e8 s THR 77 Cb -0.14 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 12e8 s THR 77 CO 0.96 0.27 -0.14 0.00 -0.69 0.00 0.00 174.62 175.02 12e8 s ALA 78 N 0.18 2.76 0.08 7.40 0.00 0.11 -1.27 121.76 131.04 12e8 s ALA 78 Ca -0.03 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.81 12e8 s ALA 78 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 12e8 s ALA 78 CO 0.01 0.60 -0.20 0.71 0.00 0.00 0.00 175.76 176.87 12e8 s TYR 79 N -1.03 1.74 -0.20 0.00 2.02 0.27 -0.63 117.35 119.51 12e8 s TYR 79 Ca 0.17 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 12e8 s TYR 79 Cb -0.11 -0.97 0.05 0.00 -0.40 0.00 0.00 41.96 40.53 12e8 s TYR 79 CO 0.08 0.16 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.00 12e8 s LEU 80 N -1.70 2.09 -0.15 -1.29 2.96 -0.05 -1.98 118.68 118.56 12e8 s LEU 80 Ca 0.06 -0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 12e8 s LEU 80 Cb -0.10 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 12e8 s LEU 80 CO 0.03 -0.21 0.21 -1.10 -1.32 0.00 0.00 176.35 173.96 12e8 s GLN 81 N 1.51 3.98 0.18 1.98 -0.21 0.13 -0.39 119.66 126.84 12e8 s GLN 81 Ca -0.03 -0.04 0.08 0.00 0.02 0.00 0.00 55.36 55.40 12e8 s GLN 81 Cb -0.17 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 12e8 s GLN 81 CO -0.07 0.45 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.86 12e8 s LEU 82 N -0.12 2.47 0.00 2.90 1.43 0.14 -1.11 118.68 124.38 12e8 s LEU 82 Ca 0.14 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 12e8 s LEU 82 Cb -0.12 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.29 12e8 s LEU 82 CO 0.03 -0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.35 12e8 n SER 82 N 0.13 0.00 -4.77 2.29 7.64 -1.01 -1.29 113.62 116.62 12e8 n SER 82 Ca -0.12 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.36 12e8 n SER 82 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 12e8 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 12e8 s LEU 82 N -2.84 4.37 0.00 -3.43 1.43 -0.73 -4.71 118.68 112.77 12e8 s LEU 82 Ca 0.00 2.51 0.04 0.00 -1.03 0.00 0.00 54.13 55.65 12e8 s LEU 82 Cb 0.00 -3.76 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 12e8 s LEU 82 CO 0.00 -0.52 0.15 0.35 0.23 0.00 0.00 176.35 176.56 12e8 n THR 83 N 0.63 0.00 0.21 5.49 -2.24 -1.26 -0.23 114.28 116.88 12e8 n THR 83 Ca 0.01 -2.47 0.05 0.00 -2.27 0.00 0.00 64.05 59.37 12e8 n THR 83 Cb 0.44 0.88 0.45 0.00 -2.10 0.00 0.00 70.33 70.00 12e8 n THR 83 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 12e8 h SER 84 N 1.68 0.00 0.03 3.42 0.02 -1.98 -1.10 113.55 115.61 12e8 h SER 84 Ca -0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 12e8 h SER 84 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 12e8 h SER 84 CO 0.53 0.27 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.40 12e8 h GLU 85 N 0.00 0.00 -0.01 3.45 4.22 -1.96 -1.85 114.58 118.44 12e8 h GLU 85 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 12e8 h GLU 85 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 12e8 h GLU 85 CO 0.03 0.00 -0.07 -0.25 -2.18 0.00 0.00 179.01 176.54 12e8 n ASP 86 N -3.42 0.78 -4.66 1.04 8.00 -0.42 -4.85 116.55 113.03 12e8 n ASP 86 Ca -0.03 -0.99 -0.43 0.00 0.71 0.00 0.00 54.79 54.06 12e8 n ASP 86 Cb 0.08 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 12e8 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 12e8 s THR 87 N -2.24 3.96 -0.06 -3.53 2.01 -0.70 -4.82 115.64 110.27 12e8 s THR 87 Ca 0.35 1.16 -0.31 0.00 0.31 0.00 0.00 61.69 63.19 12e8 s THR 87 Cb 0.21 -3.77 0.12 0.00 0.01 0.00 0.00 72.50 69.06 12e8 s THR 87 CO 0.42 -0.13 1.36 0.00 -0.69 0.00 0.00 174.62 175.57 12e8 s ALA 88 N 3.87 -2.49 -0.20 7.40 0.00 -0.82 -4.72 121.76 124.79 12e8 s ALA 88 Ca 0.63 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 12e8 s ALA 88 Cb -0.26 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 12e8 s ALA 88 CO 0.22 -1.10 0.17 0.08 0.00 0.00 0.00 175.76 175.12 12e8 s VAL 89 N -2.12 5.38 -0.17 0.00 1.01 -0.30 -1.25 120.40 122.95 12e8 s VAL 89 Ca 0.21 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 12e8 s VAL 89 Cb 0.04 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 12e8 s VAL 89 CO -0.04 0.41 -0.03 -0.31 0.00 0.00 0.00 175.10 175.13 12e8 s TYR 90 N 0.54 3.02 -0.00 5.22 1.51 0.64 -0.84 117.35 127.44 12e8 s TYR 90 Ca 0.09 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 12e8 s TYR 90 Cb -0.12 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 12e8 s TYR 90 CO 0.00 -0.11 -0.14 0.71 -1.11 0.00 0.00 175.55 174.91 12e8 s TYR 91 N 0.56 2.70 0.10 2.71 2.02 -0.50 -0.15 117.35 124.78 12e8 s TYR 91 Ca -0.02 -0.16 0.07 0.00 -0.37 0.00 0.00 57.07 56.58 12e8 s TYR 91 Cb -0.14 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 12e8 s TYR 91 CO 0.02 0.26 -0.09 0.00 -1.57 0.00 0.00 175.55 174.18 12e8 s ASN 93 N -2.17 0.10 -0.00 0.00 2.20 0.39 -0.97 114.94 114.49 12e8 s ASN 93 Ca 0.22 -1.12 0.02 0.00 -0.94 0.00 0.00 52.86 51.03 12e8 s ASN 93 Cb -0.11 0.54 -0.00 0.00 -2.00 0.00 0.00 41.25 39.68 12e8 s ASN 93 CO 0.14 -1.09 -0.05 0.00 -2.94 0.00 0.00 177.10 173.16 12e8 s ALA 94 N -3.92 0.41 0.08 3.54 0.00 0.03 -0.85 121.76 121.05 12e8 s ALA 94 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.02 12e8 s ALA 94 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 12e8 s ALA 94 CO 0.11 0.10 -0.05 0.20 0.00 0.00 0.00 175.76 176.12 12e8 s GLY 95 N -0.15 0.64 0.59 0.00 0.00 -1.01 -3.51 107.32 103.88 12e8 s GLY 95 Ca 0.02 -1.25 -0.19 0.00 0.00 0.00 0.00 44.72 43.30 12e8 s GLY 95 CO -0.00 -1.35 1.23 0.30 0.00 0.00 0.00 173.10 173.28 12e8 s HIS 96 N -3.52 2.35 0.40 1.90 3.76 -1.26 -1.73 115.29 117.18 12e8 s HIS 96 Ca 0.08 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 56.57 12e8 s HIS 96 Cb 0.05 -3.53 0.82 0.00 1.11 0.00 0.00 32.58 31.03 12e8 s HIS 96 CO -0.06 -2.35 2.01 0.38 -0.85 0.00 0.00 174.74 173.87 12e8 h ASP 97 N 0.90 0.43 0.06 1.40 3.04 -1.87 -2.22 116.42 118.16 12e8 h ASP 97 Ca -0.51 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.25 12e8 h ASP 97 Cb 1.30 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 12e8 h ASP 97 CO 0.55 0.37 -0.04 0.00 -2.04 0.00 0.00 179.24 178.08 12e8 n TYR 98 N -4.42 0.00 -3.08 4.15 0.18 -1.26 -4.85 117.16 107.88 12e8 n TYR 98 Ca 0.02 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.41 12e8 n TYR 98 Cb 0.12 -0.04 -0.06 0.00 -0.38 0.00 0.00 39.34 38.98 12e8 n TYR 98 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 12e8 s ASP 99 N -2.11 7.21 0.51 9.48 -1.08 -0.83 -4.99 116.67 124.85 12e8 s ASP 99 Ca 0.38 1.43 0.27 0.00 -0.52 0.00 0.00 52.55 54.12 12e8 s ASP 99 Cb 0.21 -2.44 1.34 0.00 -1.46 0.00 0.00 42.92 40.57 12e8 s ASP 99 CO 0.38 0.16 2.01 0.03 0.52 0.00 0.00 175.17 178.27 12e8 h ARG 100 N 4.90 0.00 0.00 4.34 3.08 -1.88 -3.45 114.38 121.37 12e8 h ARG 100 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 12e8 h ARG 100 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 12e8 h ARG 100 CO 0.67 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 12e8 n GLY 100 N -0.45 0.00 2.81 0.04 0.00 -1.26 -5.16 105.19 101.17 12e8 n GLY 100 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 12e8 n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 12e8 n ARG 100 N 0.00 -1.57 -3.25 1.61 1.74 -1.26 -5.08 116.66 108.85 12e8 n ARG 100 Ca 0.00 -1.47 -0.12 0.00 -0.77 0.00 0.00 57.85 55.50 12e8 n ARG 100 Cb 0.00 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 12e8 n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 12e8 s PHE 100 N -2.94 -0.68 0.21 -1.55 0.08 -1.26 -4.69 117.98 107.14 12e8 s PHE 100 Ca 0.56 -0.68 0.11 0.00 0.12 0.00 0.00 56.93 57.03 12e8 s PHE 100 Cb -0.03 -0.19 0.25 0.00 -0.57 0.00 0.00 43.02 42.49 12e8 s PHE 100 CO 0.40 -1.05 1.54 -1.00 -0.10 0.00 0.00 175.22 175.02 12e8 h PRO 101 N 6.63 0.00 -5.07 0.24 0.13 -1.99 -3.44 132.00 128.50 12e8 h PRO 101 Ca 0.07 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.57 12e8 h PRO 101 Cb 1.08 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 12e8 h PRO 101 CO 0.16 0.67 -0.86 0.71 -0.23 0.00 0.00 178.00 178.46 12e8 s TYR 102 N -3.37 2.30 0.02 1.56 2.02 -1.23 -5.04 117.35 113.61 12e8 s TYR 102 Ca -0.00 -1.01 0.05 0.00 -0.37 0.00 0.00 57.07 55.73 12e8 s TYR 102 Cb 0.12 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 12e8 s TYR 102 CO 0.77 -0.45 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.58 12e8 s TRP 103 N 0.62 1.22 0.82 2.71 0.52 -1.26 -0.79 118.94 122.78 12e8 s TRP 103 Ca -0.13 -0.29 -0.12 0.00 0.02 0.00 0.00 56.10 55.57 12e8 s TRP 103 Cb -0.16 -0.75 0.09 0.00 -1.15 0.00 0.00 33.47 31.50 12e8 s TRP 103 CO 0.04 0.01 1.19 0.20 0.02 0.00 0.00 176.95 178.40 12e8 s GLY 104 N -0.76 1.61 0.00 0.98 0.00 -0.14 -4.51 107.32 104.49 12e8 s GLY 104 Ca 0.03 -0.71 0.29 0.00 0.00 0.00 0.00 44.72 44.33 12e8 s GLY 104 CO 0.00 -0.20 2.02 0.61 0.00 0.00 0.00 173.10 175.54 12e8 n GLN 105 N -3.35 0.55 0.00 2.90 0.00 -1.25 -4.76 117.38 111.47 12e8 n GLN 105 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.10 12e8 n GLN 105 Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.35 12e8 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 12e8 n GLY 106 N 1.05 -0.22 2.91 2.61 0.00 -1.26 -5.03 105.19 105.25 12e8 n GLY 106 Ca 0.16 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 12e8 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 12e8 s THR 107 N -3.00 0.80 -0.18 2.61 2.01 0.79 -4.85 115.64 113.82 12e8 s THR 107 Ca 0.00 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 12e8 s THR 107 Cb 0.00 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 12e8 s THR 107 CO 0.00 0.31 0.72 -0.22 -0.69 0.00 0.00 174.62 174.73 12e8 s LEU 108 N 1.28 4.16 -0.18 4.42 2.96 -1.26 -0.26 118.68 129.79 12e8 s LEU 108 Ca -0.04 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 54.83 12e8 s LEU 108 Cb -0.14 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 12e8 s LEU 108 CO -0.02 -0.33 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.90 12e8 s VAL 109 N 2.01 3.18 -0.24 1.68 1.01 -0.38 -1.08 120.40 126.58 12e8 s VAL 109 Ca 0.33 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 12e8 s VAL 109 Cb -0.16 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.85 12e8 s VAL 109 CO 0.11 0.48 -0.09 -0.89 0.00 0.00 0.00 175.10 174.71 12e8 s THR 110 N 0.94 2.67 -0.16 3.92 2.01 0.04 -1.94 115.64 123.12 12e8 s THR 110 Ca -0.02 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 60.85 12e8 s THR 110 Cb -0.15 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 12e8 s THR 110 CO -0.00 0.23 0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 12e8 s VAL 111 N 1.29 4.56 0.18 3.82 1.01 -1.26 -0.70 120.40 129.31 12e8 s VAL 111 Ca -0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 12e8 s VAL 111 Cb -0.16 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.25 12e8 s VAL 111 CO -0.06 0.50 0.74 -0.55 0.00 0.00 0.00 175.10 175.73 12e8 s SER 112 N 0.10 -0.36 0.00 3.32 0.15 -0.84 -4.42 113.70 111.66 12e8 s SER 112 Ca 0.04 -0.30 0.24 0.00 0.70 0.00 0.00 55.95 56.62 12e8 s SER 112 Cb -0.13 0.60 0.30 0.00 -1.71 0.00 0.00 66.02 65.09 12e8 s SER 112 CO 0.01 -1.06 1.27 0.00 1.20 0.00 0.00 173.24 174.66 12e8 n ALA 113 N -0.41 3.67 -1.67 5.45 0.00 -1.26 -2.10 120.51 124.18 12e8 n ALA 113 Ca -0.09 -0.49 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 12e8 n ALA 113 Cb 0.62 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 19.11 12e8 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 12e8 s ALA 114 N -2.72 2.75 0.25 0.00 0.00 -1.26 -4.99 121.76 115.79 12e8 s ALA 114 Ca 0.16 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.57 12e8 s ALA 114 Cb 0.18 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 12e8 s ALA 114 CO 0.65 -0.79 0.13 0.15 0.00 0.00 0.00 175.76 175.90 12e8 s LYS 115 N -4.11 2.74 -0.04 0.00 1.02 -1.26 -5.00 119.74 113.08 12e8 s LYS 115 Ca 0.63 -1.15 -0.32 0.00 0.02 0.00 0.00 55.97 55.15 12e8 s LYS 115 Cb -0.16 -2.45 -0.10 0.00 -0.52 0.00 0.00 37.83 34.60 12e8 s LYS 115 CO 0.37 0.40 1.94 2.41 -0.92 0.00 0.00 175.35 179.55 12e8 n THR 116 N -1.04 0.66 -4.26 2.17 -1.04 -1.26 -4.66 114.28 104.84 12e8 n THR 116 Ca -0.08 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.05 61.55 12e8 n THR 116 Cb 0.58 -2.08 -0.17 0.00 -1.82 0.00 0.00 70.33 66.84 12e8 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 12e8 s THR 117 N 4.43 1.04 0.64 12.58 2.01 -0.10 -4.95 115.64 131.30 12e8 s THR 117 Ca 0.92 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 12e8 s THR 117 Cb -0.58 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 12e8 s THR 117 CO 0.47 0.35 1.12 -2.16 -0.69 0.00 0.00 174.62 173.71 12e8 s PRO 118 N 1.14 2.85 0.46 4.92 0.04 -1.26 -1.61 135.00 141.53 12e8 s PRO 118 Ca -0.06 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 12e8 s PRO 118 Cb -0.14 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 12e8 s PRO 118 CO -0.02 -1.22 0.76 -1.25 0.04 0.00 0.00 177.00 175.31 12e8 s PRO 119 N -3.95 3.55 -0.18 0.56 0.04 -1.26 -4.43 135.00 129.33 12e8 s PRO 119 Ca 0.68 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.81 12e8 s PRO 119 Cb -0.22 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 12e8 s PRO 119 CO 0.39 -0.15 0.08 -1.12 0.04 0.00 0.00 177.00 176.25 12e8 s SER 120 N -4.01 5.84 -0.24 6.66 0.01 -0.05 -4.91 113.70 117.00 12e8 s SER 120 Ca 0.47 0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 12e8 s SER 120 Cb -0.10 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.15 12e8 s SER 120 CO 0.43 0.21 -0.03 -0.69 0.41 0.00 0.00 173.24 173.57 12e8 s VAL 121 N 0.16 3.33 -0.11 3.43 1.01 -1.26 -0.79 120.40 126.17 12e8 s VAL 121 Ca 0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 12e8 s VAL 121 Cb -0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 12e8 s VAL 121 CO -0.00 0.29 -0.06 -0.31 0.00 0.00 0.00 175.10 175.02 12e8 s TYR 122 N 1.44 2.96 0.19 5.22 2.02 0.33 -4.95 117.35 124.56 12e8 s TYR 122 Ca 0.03 -0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 12e8 s TYR 122 Cb -0.15 -1.83 -0.08 0.00 -0.40 0.00 0.00 41.96 39.50 12e8 s TYR 122 CO -0.03 0.12 0.98 -1.25 -1.57 0.00 0.00 175.55 173.80 12e8 s PRO 123 N -0.20 4.75 -0.51 -1.71 0.04 -1.26 -0.95 135.00 135.16 12e8 s PRO 123 Ca 0.03 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 12e8 s PRO 123 Cb -0.13 -3.31 0.13 0.00 0.04 0.00 0.00 34.50 31.24 12e8 s PRO 123 CO 0.03 0.33 0.33 -0.51 0.04 0.00 0.00 177.00 177.22 12e8 s LEU 124 N -0.66 5.33 -0.00 -3.56 1.02 0.54 -4.91 118.68 116.44 12e8 s LEU 124 Ca 0.44 -2.37 0.02 0.00 0.02 0.00 0.00 54.13 52.25 12e8 s LEU 124 Cb -0.26 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 12e8 s LEU 124 CO 0.32 -0.49 -0.04 0.00 0.02 0.00 0.00 176.35 176.16 12e8 s ALA 125 N 0.65 3.12 0.23 4.21 0.00 -1.26 -1.84 121.76 126.87 12e8 s ALA 125 Ca 0.12 -0.99 -0.32 0.00 0.00 0.00 0.00 51.96 50.77 12e8 s ALA 125 Cb -0.22 -1.22 -0.13 0.00 0.00 0.00 0.00 23.12 21.56 12e8 s ALA 125 CO -0.04 0.62 1.58 -2.30 0.00 0.00 0.00 175.76 175.63 12e8 n PRO 126 N 1.52 2.45 -0.15 0.00 -0.02 -1.26 -4.57 135.00 132.97 12e8 n PRO 126 Ca -0.15 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 12e8 n PRO 126 Cb 0.53 -2.64 0.12 0.00 -0.02 0.00 0.00 33.50 31.48 12e8 n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 12e8 n GLY 127 N 2.89 -3.62 0.00 -1.23 0.00 -1.26 -4.55 105.19 97.41 12e8 n GLY 127 Ca 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.86 12e8 n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 12e8 n SER 128 N -4.12 0.00 -4.70 1.61 7.64 -1.26 -4.40 113.62 108.39 12e8 n SER 128 Ca 0.06 0.02 -0.37 0.00 1.01 0.00 0.00 58.87 59.59 12e8 n SER 128 Cb 0.25 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.38 12e8 n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 12e8 s ALA 129 N -1.00 3.58 -0.47 -0.43 0.00 -1.26 -4.98 121.76 117.19 12e8 s ALA 129 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.47 12e8 s ALA 129 Cb 0.00 -2.47 0.21 0.00 0.00 0.00 0.00 23.12 20.86 12e8 s ALA 129 CO 0.00 -0.08 0.87 0.00 0.00 0.00 0.00 175.76 176.55 12e8 n ALA 130 N 3.96 -2.26 -2.44 0.00 0.00 -1.26 -5.16 120.51 113.35 12e8 n ALA 130 Ca -0.11 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 12e8 n ALA 130 Cb 0.52 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 12e8 n ALA 130 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 12e8 s GLN 131 N 0.80 2.26 -1.46 0.00 -2.07 -1.26 -4.74 119.66 113.20 12e8 s GLN 131 Ca 0.29 -1.94 -0.10 0.00 -1.82 0.00 0.00 55.36 51.79 12e8 s GLN 131 Cb 0.09 -2.00 0.05 0.00 -1.09 0.00 0.00 33.01 30.05 12e8 s GLN 131 CO -0.11 -0.32 0.86 0.25 -1.32 0.00 0.00 175.29 174.66 12e8 n THR 132 N -1.44 -2.07 -3.98 3.63 -2.24 -1.26 -4.97 114.28 101.94 12e8 n THR 132 Ca -0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 12e8 n THR 132 Cb 0.64 -3.10 -0.14 0.00 -2.10 0.00 0.00 70.33 65.63 12e8 n THR 132 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 12e8 s ASN 133 N -3.06 4.58 0.31 3.42 4.22 -1.26 -5.00 114.94 118.15 12e8 s ASN 133 Ca 0.52 -1.24 -0.01 0.00 -2.14 0.00 0.00 52.86 49.98 12e8 s ASN 133 Cb -0.25 -1.63 0.48 0.00 1.28 0.00 0.00 41.25 41.13 12e8 s ASN 133 CO 0.64 -0.20 1.97 -1.28 -2.04 0.00 0.00 177.10 176.19 12e8 h SER 134 N 7.91 0.90 -4.13 3.54 0.87 -1.98 -3.43 113.55 117.24 12e8 h SER 134 Ca -0.23 -0.03 -0.69 0.00 -1.23 0.00 0.00 61.79 59.61 12e8 h SER 134 Cb 1.06 -0.23 -0.24 0.00 -0.44 0.00 0.00 62.40 62.55 12e8 h SER 134 CO 0.51 0.66 -0.87 -0.04 -0.53 0.00 0.00 176.83 176.56 12e8 s MET 135 N -5.87 1.69 0.01 2.24 -1.94 -1.26 -1.84 119.30 112.33 12e8 s MET 135 Ca -0.11 -1.18 0.08 0.00 -1.71 0.00 0.00 55.69 52.77 12e8 s MET 135 Cb 0.18 -1.97 -0.02 0.00 2.01 0.00 0.00 34.83 35.02 12e8 s MET 135 CO 0.79 0.49 -0.26 0.54 -0.01 0.00 0.00 175.02 176.57 12e8 s VAL 136 N -0.91 2.06 -0.17 -6.03 0.11 0.16 -4.75 120.40 110.87 12e8 s VAL 136 Ca 0.13 -1.21 -0.03 0.00 -2.93 0.00 0.00 61.98 57.94 12e8 s VAL 136 Cb -0.10 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 12e8 s VAL 136 CO 0.04 0.49 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.36 12e8 s THR 137 N -0.68 3.67 0.36 5.04 2.01 -1.26 -1.08 115.64 123.69 12e8 s THR 137 Ca 0.11 -0.43 0.09 0.00 0.31 0.00 0.00 61.69 61.77 12e8 s THR 137 Cb -0.10 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 12e8 s THR 137 CO 0.00 0.47 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.64 12e8 s LEU 138 N 0.68 2.90 0.28 4.42 1.02 0.03 -4.66 118.68 123.36 12e8 s LEU 138 Ca -0.03 -1.11 -0.19 0.00 0.02 0.00 0.00 54.13 52.82 12e8 s LEU 138 Cb -0.15 -1.19 0.02 0.00 0.02 0.00 0.00 46.19 44.89 12e8 s LEU 138 CO 0.02 -0.28 0.68 -0.83 0.02 0.00 0.00 176.35 175.97 12e8 s GLY 139 N -3.70 0.06 -0.02 -3.19 0.00 -0.77 -0.45 107.32 99.25 12e8 s GLY 139 Ca 0.35 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.62 12e8 s GLY 139 CO 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 173.10 173.07 12e8 s LEU 141 N 0.73 3.85 -0.29 0.00 0.20 -0.13 -1.25 118.68 121.80 12e8 s LEU 141 Ca -0.08 -0.05 -0.07 0.00 0.69 0.00 0.00 54.13 54.62 12e8 s LEU 141 Cb -0.11 -2.05 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 12e8 s LEU 141 CO -0.01 -0.03 0.08 -0.69 -0.29 0.00 0.00 176.35 175.41 12e8 s VAL 142 N 1.60 4.05 0.07 1.68 1.01 0.34 -0.51 120.40 128.64 12e8 s VAL 142 Ca 0.07 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.51 12e8 s VAL 142 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 12e8 s VAL 142 CO 0.08 0.14 -0.11 -0.75 0.00 0.00 0.00 175.10 174.45 12e8 s LYS 143 N 1.53 0.74 -0.75 2.72 2.20 0.03 -1.06 119.74 125.14 12e8 s LYS 143 Ca 0.04 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.68 12e8 s LYS 143 Cb -0.17 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 12e8 s LYS 143 CO 0.03 0.12 0.27 0.41 -0.36 0.00 0.00 175.35 175.81 12e8 n GLY 144 N 1.16 0.09 3.86 5.54 0.00 0.29 -0.87 105.19 115.26 12e8 n GLY 144 Ca -0.20 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 12e8 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 12e8 s TYR 145 N -2.81 2.88 -0.28 1.61 1.13 -0.88 -4.59 117.35 114.41 12e8 s TYR 145 Ca 0.13 -0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 55.24 12e8 s TYR 145 Cb -0.06 -1.84 0.11 0.00 -1.10 0.00 0.00 41.96 39.08 12e8 s TYR 145 CO 0.16 0.15 0.92 0.12 -2.51 0.00 0.00 175.55 174.40 12e8 s PHE 146 N -2.32 -0.61 0.39 -3.49 5.36 -0.63 -0.24 117.98 116.43 12e8 s PHE 146 Ca 0.42 1.42 -0.03 0.00 -0.96 0.00 0.00 56.93 57.78 12e8 s PHE 146 Cb -0.06 0.36 0.08 0.00 -0.34 0.00 0.00 43.02 43.07 12e8 s PHE 146 CO 0.27 -0.30 0.53 -0.35 -1.46 0.00 0.00 175.22 173.91 12e8 n PRO 147 N 2.69 -0.03 -1.91 10.12 -0.04 -1.26 -0.92 135.00 143.66 12e8 n PRO 147 Ca -0.14 -1.20 -0.31 0.00 -0.04 0.00 0.00 63.50 61.80 12e8 n PRO 147 Cb 0.56 -0.43 0.01 0.00 -0.04 0.00 0.00 33.50 33.60 12e8 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 12e8 s GLU 148 N -3.92 3.43 0.21 0.54 2.02 -1.26 -4.76 118.70 114.96 12e8 s GLU 148 Ca 0.33 0.91 0.02 0.00 0.02 0.00 0.00 54.97 56.25 12e8 s GLU 148 Cb -0.02 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.18 12e8 s GLU 148 CO 0.23 -0.70 0.16 -0.35 0.02 0.00 0.00 175.26 174.61 12e8 n PRO 149 N -2.54 1.18 -4.26 0.39 -0.04 -1.26 -5.01 135.00 123.45 12e8 n PRO 149 Ca 0.07 -1.33 -0.20 0.00 -0.04 0.00 0.00 63.50 62.00 12e8 n PRO 149 Cb 0.54 0.14 -0.11 0.00 -0.04 0.00 0.00 33.50 34.03 12e8 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 12e8 s VAL 150 N -1.05 1.48 0.02 0.52 -7.23 -1.26 -4.47 120.40 108.42 12e8 s VAL 150 Ca 0.12 -1.72 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 12e8 s VAL 150 Cb -0.01 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 12e8 s VAL 150 CO 0.08 -0.34 -0.25 0.42 -0.31 0.00 0.00 175.10 174.70 12e8 s THR 151 N -1.94 2.00 -0.03 5.32 -4.23 -0.55 -4.96 115.64 111.25 12e8 s THR 151 Ca 0.10 -1.25 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 12e8 s THR 151 Cb -0.06 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.09 12e8 s THR 151 CO 0.04 0.40 -0.06 0.54 -0.54 0.00 0.00 174.62 175.00 12e8 s VAL 152 N -0.73 0.58 0.30 2.29 0.11 -1.26 -1.45 120.40 120.25 12e8 s VAL 152 Ca 0.10 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 12e8 s VAL 152 Cb -0.10 -0.55 -0.06 0.00 -1.53 0.00 0.00 36.38 34.15 12e8 s VAL 152 CO 0.01 0.20 0.05 0.42 -3.33 0.00 0.00 175.10 172.45 12e8 s THR 153 N 0.39 1.11 -0.10 5.04 -4.23 -0.29 -4.97 115.64 112.60 12e8 s THR 153 Ca -0.05 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 12e8 s THR 153 Cb -0.09 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.06 12e8 s THR 153 CO 0.00 -0.06 -0.14 0.26 -0.54 0.00 0.00 174.62 174.14 12e8 s TRP 154 N -3.36 1.83 -1.39 3.99 0.52 -1.26 -0.32 118.94 118.95 12e8 s TRP 154 Ca 0.35 -0.82 -0.06 0.00 0.02 0.00 0.00 56.10 55.60 12e8 s TRP 154 Cb 0.08 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 31.10 12e8 s TRP 154 CO 0.14 -0.43 0.85 0.09 0.02 0.00 0.00 176.95 177.63 12e8 n ASN 155 N 4.13 -2.89 -3.09 2.95 3.02 0.41 -1.07 115.26 118.73 12e8 n ASN 155 Ca -0.19 -0.77 -0.22 0.00 -0.03 0.00 0.00 54.58 53.36 12e8 n ASN 155 Cb 0.51 -4.12 0.02 0.00 -0.61 0.00 0.00 39.78 35.58 12e8 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 12e8 n SER 156 N -2.98 -5.36 0.00 6.41 7.64 -1.26 -2.03 113.62 116.04 12e8 n SER 156 Ca -0.15 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.43 12e8 n SER 156 Cb 0.61 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 12e8 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 12e8 n GLY 157 N -1.39 1.55 0.08 0.23 0.00 -0.23 -4.91 105.19 100.52 12e8 n GLY 157 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 12e8 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 12e8 n SER 158 N 0.00 0.44 -4.34 1.61 3.41 -0.86 -3.35 113.62 110.53 12e8 n SER 158 Ca 0.00 0.60 -0.45 0.00 -0.26 0.00 0.00 58.87 58.76 12e8 n SER 158 Cb 0.00 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.25 12e8 n SER 158 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 12e8 s LEU 159 N -3.96 6.37 -0.01 1.04 1.43 -1.08 -4.84 118.68 117.63 12e8 s LEU 159 Ca 0.06 -3.40 0.10 0.00 -1.03 0.00 0.00 54.13 49.87 12e8 s LEU 159 Cb 0.10 -2.22 0.32 0.00 0.03 0.00 0.00 46.19 44.42 12e8 s LEU 159 CO 0.37 -0.36 1.24 -1.54 0.23 0.00 0.00 176.35 176.29 12e8 n SER 160 N 3.08 2.01 -3.72 2.29 3.41 -1.21 -4.57 113.62 114.92 12e8 n SER 160 Ca 0.22 -2.04 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 12e8 n SER 160 Cb 0.41 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 12e8 n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 12e8 s SER 161 N -0.94 -0.11 -0.00 4.04 1.04 -1.26 -4.94 113.70 111.54 12e8 s SER 161 Ca 0.24 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.26 12e8 s SER 161 Cb 0.13 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.67 12e8 s SER 161 CO 0.15 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.20 12e8 n GLY 162 N -0.06 0.49 3.53 7.32 0.00 -1.26 -4.77 105.19 110.44 12e8 n GLY 162 Ca -0.16 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 12e8 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 12e8 s VAL 163 N -2.00 3.36 -0.16 1.61 0.11 -1.26 -1.15 120.40 120.91 12e8 s VAL 163 Ca 0.00 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.33 12e8 s VAL 163 Cb 0.00 -2.38 0.04 0.00 -1.53 0.00 0.00 36.38 32.51 12e8 s VAL 163 CO 0.00 0.52 -0.08 -1.00 -3.33 0.00 0.00 175.10 171.21 12e8 s HIS 164 N -0.84 1.81 -0.28 1.54 3.76 0.08 -4.98 115.29 116.38 12e8 s HIS 164 Ca 0.13 -1.09 -0.02 0.00 -0.15 0.00 0.00 55.06 53.93 12e8 s HIS 164 Cb -0.11 -1.37 0.04 0.00 1.11 0.00 0.00 32.58 32.24 12e8 s HIS 164 CO 0.03 -0.62 -0.02 0.99 -0.85 0.00 0.00 174.74 174.27 12e8 s THR 165 N 1.60 3.02 0.44 1.30 2.01 -1.26 -0.60 115.64 122.15 12e8 s THR 165 Ca 0.02 -1.19 -0.21 0.00 0.31 0.00 0.00 61.69 60.62 12e8 s THR 165 Cb -0.14 -2.64 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 12e8 s THR 165 CO -0.08 0.03 0.98 -0.36 -0.69 0.00 0.00 174.62 174.49 12e8 s PHE 166 N 1.30 3.24 0.30 4.92 0.08 -0.78 -5.02 117.98 122.02 12e8 s PHE 166 Ca -0.03 1.61 -0.28 0.00 0.12 0.00 0.00 56.93 58.36 12e8 s PHE 166 Cb -0.18 -2.92 -0.14 0.00 -0.57 0.00 0.00 43.02 39.21 12e8 s PHE 166 CO -0.02 -0.31 1.06 -2.30 -0.10 0.00 0.00 175.22 173.55 12e8 n PRO 167 N -0.64 1.50 -1.94 0.24 -0.02 -1.26 -4.54 135.00 128.34 12e8 n PRO 167 Ca 0.07 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 12e8 n PRO 167 Cb 0.53 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 32.09 12e8 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 12e8 s ALA 168 N -1.07 2.75 0.04 3.55 0.00 -1.26 -4.80 121.76 120.97 12e8 s ALA 168 Ca 0.58 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.84 12e8 s ALA 168 Cb -0.67 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 12e8 s ALA 168 CO 0.60 -0.88 -0.05 0.14 0.00 0.00 0.00 175.76 175.57 12e8 s VAL 169 N -2.63 0.34 0.17 0.00 -7.23 -0.59 -4.93 120.40 105.52 12e8 s VAL 169 Ca 0.62 -1.18 -0.24 0.00 -1.81 0.00 0.00 61.98 59.36 12e8 s VAL 169 Cb -0.15 -0.68 -0.08 0.00 0.56 0.00 0.00 36.38 36.03 12e8 s VAL 169 CO 0.42 -0.55 0.76 -0.76 -0.31 0.00 0.00 175.10 174.65 12e8 s LEU 170 N -1.84 4.55 -0.46 1.32 1.43 -1.26 -1.67 118.68 120.76 12e8 s LEU 170 Ca -0.08 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 12e8 s LEU 170 Cb -0.06 -3.32 0.16 0.00 0.03 0.00 0.00 46.19 42.99 12e8 s LEU 170 CO -0.02 0.19 0.32 -1.10 0.23 0.00 0.00 176.35 175.96 12e8 s GLN 171 N -1.28 1.19 -0.75 1.70 -0.21 0.43 -4.91 119.66 115.83 12e8 s GLN 171 Ca 0.37 -2.15 -0.01 0.00 0.02 0.00 0.00 55.36 53.59 12e8 s GLN 171 Cb -0.22 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.84 12e8 s GLN 171 CO 0.25 -1.29 0.70 0.43 -2.12 0.00 0.00 175.29 173.26 12e8 n SER 172 N 3.08 -7.30 0.00 5.90 7.64 -1.26 -2.91 113.62 118.78 12e8 n SER 172 Ca 0.20 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.91 12e8 n SER 172 Cb 0.41 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 12e8 n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 12e8 n ASP 173 N -1.98 0.00 -4.59 6.43 9.92 -1.26 -4.96 116.55 120.11 12e8 n ASP 173 Ca -0.01 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.93 12e8 n ASP 173 Cb 0.52 -0.36 -0.10 0.00 -0.64 0.00 0.00 41.12 40.54 12e8 n ASP 173 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 12e8 s LEU 174 N 0.00 3.12 0.29 0.64 1.43 -1.14 -4.83 118.68 118.19 12e8 s LEU 174 Ca 0.00 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 12e8 s LEU 174 Cb 0.00 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 12e8 s LEU 174 CO 0.00 0.26 0.63 -0.31 0.23 0.00 0.00 176.35 177.15 12e8 s TYR 175 N -1.05 3.43 -0.10 0.29 2.02 0.66 -0.43 117.35 122.18 12e8 s TYR 175 Ca 0.18 0.94 -0.10 0.00 -0.37 0.00 0.00 57.07 57.72 12e8 s TYR 175 Cb -0.11 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.15 12e8 s TYR 175 CO 0.09 0.15 0.28 0.99 -1.57 0.00 0.00 175.55 175.49 12e8 s THR 176 N -1.99 0.01 0.19 -0.71 2.01 -0.67 -0.55 115.64 113.93 12e8 s THR 176 Ca 0.49 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 12e8 s THR 176 Cb -0.11 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.01 12e8 s THR 176 CO 0.23 -0.03 0.48 -1.48 -0.69 0.00 0.00 174.62 173.14 12e8 s LEU 177 N 0.01 0.25 0.12 4.42 0.05 -0.22 -1.55 118.68 121.76 12e8 s LEU 177 Ca -0.01 -0.58 0.03 0.00 0.05 0.00 0.00 54.13 53.62 12e8 s LEU 177 Cb -0.02 1.96 -0.04 0.00 -2.05 0.00 0.00 46.19 46.03 12e8 s LEU 177 CO 0.01 -1.03 -0.09 -0.44 -0.55 0.00 0.00 176.35 174.24 12e8 s SER 178 N -2.90 1.51 -0.02 1.48 0.01 -1.26 -0.51 113.70 112.02 12e8 s SER 178 Ca 0.11 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.44 12e8 s SER 178 Cb -0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 12e8 s SER 178 CO -0.01 -0.35 -0.05 -0.55 0.41 0.00 0.00 173.24 172.69 12e8 s SER 179 N -2.92 0.72 0.14 2.44 0.15 -0.38 -1.87 113.70 111.98 12e8 s SER 179 Ca 0.12 -0.10 0.10 0.00 0.70 0.00 0.00 55.95 56.77 12e8 s SER 179 Cb 0.02 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 12e8 s SER 179 CO -0.01 0.03 -0.23 -0.94 1.20 0.00 0.00 173.24 173.29 12e8 s SER 180 N 0.20 3.57 -0.00 5.45 1.04 0.24 -1.11 113.70 123.09 12e8 s SER 180 Ca -0.02 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.72 12e8 s SER 180 Cb -0.06 -0.36 -0.00 0.00 0.10 0.00 0.00 66.02 65.70 12e8 s SER 180 CO -0.00 0.16 -0.04 0.54 0.98 0.00 0.00 173.24 174.88 12e8 s VAL 181 N -1.24 0.33 -0.13 5.02 0.11 0.40 -0.74 120.40 124.15 12e8 s VAL 181 Ca 0.17 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 12e8 s VAL 181 Cb -0.10 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 12e8 s VAL 181 CO 0.09 0.06 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.83 12e8 s THR 182 N -0.17 1.92 0.18 5.04 2.01 -0.30 -0.79 115.64 123.53 12e8 s THR 182 Ca 0.01 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.17 12e8 s THR 182 Cb -0.02 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 12e8 s THR 182 CO -0.00 0.52 -0.09 0.68 -0.69 0.00 0.00 174.62 175.04 12e8 s VAL 183 N 0.88 1.28 0.20 3.82 -7.23 -0.24 -4.70 120.40 114.40 12e8 s VAL 183 Ca -0.06 -2.09 -0.33 0.00 -1.81 0.00 0.00 61.98 57.69 12e8 s VAL 183 Cb -0.15 -2.02 -0.13 0.00 0.56 0.00 0.00 36.38 34.64 12e8 s VAL 183 CO -0.02 -0.61 1.53 -2.65 -0.31 0.00 0.00 175.10 173.04 12e8 n PRO 184 N -0.30 2.19 0.00 4.82 -0.02 -1.26 -0.67 135.00 139.77 12e8 n PRO 184 Ca -0.08 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 12e8 n PRO 184 Cb 0.61 -2.53 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 12e8 n PRO 184 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 12e8 n SER 185 N 2.96 0.00 -0.00 2.55 3.41 -0.77 -0.54 113.62 121.24 12e8 n SER 185 Ca 0.15 -0.34 0.10 0.00 -0.26 0.00 0.00 58.87 58.52 12e8 n SER 185 Cb 0.30 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 12e8 n SER 185 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 12e8 n SER 186 N -0.84 0.57 0.10 4.04 3.41 -1.26 -4.22 113.62 115.42 12e8 n SER 186 Ca 0.04 -0.56 0.01 0.00 -0.26 0.00 0.00 58.87 58.10 12e8 n SER 186 Cb 0.02 1.42 -0.02 0.00 -0.26 0.00 0.00 64.21 65.37 12e8 n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 12e8 h THR 187 N 0.00 0.86 -3.51 6.66 2.02 -1.17 -3.42 112.91 114.35 12e8 h THR 187 Ca 0.00 -2.29 -0.24 0.00 0.77 0.00 0.00 66.41 64.65 12e8 h THR 187 Cb 0.72 2.36 -0.29 0.00 -1.74 0.00 0.00 68.15 69.19 12e8 h THR 187 CO 0.00 0.49 -0.65 0.86 0.37 0.00 0.00 175.52 176.58 12e8 s TRP 188 N -2.92 -0.07 -1.65 3.16 -0.00 -1.23 0.33 118.94 116.55 12e8 s TRP 188 Ca 0.02 0.22 0.13 0.00 -0.00 0.00 0.00 56.10 56.47 12e8 s TRP 188 Cb 0.08 -0.05 0.44 0.00 -0.00 0.00 0.00 33.47 33.94 12e8 s TRP 188 CO 0.77 -0.07 1.33 -0.35 -0.00 0.00 0.00 176.95 178.63 12e8 n PRO 189 N 3.49 2.41 0.13 5.86 -0.04 -1.26 -4.77 135.00 140.82 12e8 n PRO 189 Ca -0.18 -1.75 -0.01 0.00 -0.04 0.00 0.00 63.50 61.53 12e8 n PRO 189 Cb 0.56 -1.51 0.24 0.00 -0.04 0.00 0.00 33.50 32.75 12e8 n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 12e8 h SER 190 N 2.67 0.11 -3.53 3.54 4.64 -1.80 -3.41 113.55 115.77 12e8 h SER 190 Ca 0.00 -0.05 -0.67 0.00 -0.47 0.00 0.00 61.79 60.60 12e8 h SER 190 Cb 0.82 -0.03 -0.27 0.00 -0.31 0.00 0.00 62.40 62.61 12e8 h SER 190 CO 0.07 0.57 -0.78 -1.61 -0.87 0.00 0.00 176.83 174.22 12e8 s GLU 191 N -3.97 3.11 0.43 4.77 2.02 0.15 -5.08 118.70 120.14 12e8 s GLU 191 Ca -0.03 -0.71 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 12e8 s GLU 191 Cb 0.13 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.75 12e8 s GLU 191 CO 0.76 0.32 1.42 0.99 0.02 0.00 0.00 175.26 178.77 12e8 s THR 192 N 0.06 2.14 -0.17 3.63 2.01 -1.26 -4.23 115.64 117.82 12e8 s THR 192 Ca -0.06 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 12e8 s THR 192 Cb -0.15 -3.08 0.05 0.00 0.01 0.00 0.00 72.50 69.34 12e8 s THR 192 CO 0.05 0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.30 12e8 s VAL 193 N -1.20 0.76 -0.03 3.82 1.01 -1.26 -4.99 120.40 118.51 12e8 s VAL 193 Ca 0.59 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.13 12e8 s VAL 193 Cb -0.43 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 12e8 s VAL 193 CO 0.56 -0.01 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 12e8 s THR 194 N 1.77 1.69 -0.18 3.92 2.01 -1.26 -0.80 115.64 122.80 12e8 s THR 194 Ca 0.00 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 12e8 s THR 194 Cb -0.16 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 12e8 s THR 194 CO -0.07 0.48 0.08 0.00 -0.69 0.00 0.00 174.62 174.42 12e8 s ASN 196 N 0.15 5.10 -0.12 0.00 -0.87 0.57 -1.72 114.94 118.05 12e8 s ASN 196 Ca 0.06 -0.62 -0.01 0.00 -1.57 0.00 0.00 52.86 50.72 12e8 s ASN 196 Cb -0.12 -1.88 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 12e8 s ASN 196 CO 0.00 -0.16 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.59 12e8 s VAL 197 N 1.52 3.47 -0.02 1.60 1.01 0.02 -1.13 120.40 126.87 12e8 s VAL 197 Ca 0.03 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.53 12e8 s VAL 197 Cb -0.17 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 12e8 s VAL 197 CO 0.02 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.51 12e8 s ALA 198 N 0.05 1.28 -0.40 5.51 0.00 -0.52 -0.34 121.76 127.34 12e8 s ALA 198 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.31 12e8 s ALA 198 Cb -0.14 -0.36 0.13 0.00 0.00 0.00 0.00 23.12 22.75 12e8 s ALA 198 CO 0.04 0.29 0.22 -1.58 0.00 0.00 0.00 175.76 174.72 12e8 s HIS 199 N -0.22 1.50 0.34 0.00 2.46 -0.35 -1.48 115.29 117.54 12e8 s HIS 199 Ca 0.03 -2.09 0.04 0.00 0.47 0.00 0.00 55.06 53.51 12e8 s HIS 199 Cb -0.07 -1.53 0.67 0.00 -0.13 0.00 0.00 32.58 31.52 12e8 s HIS 199 CO 0.00 -0.80 1.95 -1.35 -2.47 0.00 0.00 174.74 172.06 12e8 h PRO 200 N 6.92 0.82 -0.66 2.88 0.11 -1.80 -2.14 132.00 138.13 12e8 h PRO 200 Ca 0.01 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.20 12e8 h PRO 200 Cb 0.95 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 12e8 h PRO 200 CO 0.40 0.54 0.44 0.00 -0.21 0.00 0.00 178.00 179.18 12e8 h ALA 201 N 1.58 2.16 -0.32 -0.75 0.00 -1.90 -1.43 119.26 118.59 12e8 h ALA 201 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 12e8 h ALA 201 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 12e8 h ALA 201 CO -0.11 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 177.68 12e8 n SER 202 N -4.46 3.00 -4.04 0.00 3.41 -0.90 -4.98 113.62 105.66 12e8 n SER 202 Ca 0.12 -2.13 -0.32 0.00 -0.26 0.00 0.00 58.87 56.28 12e8 n SER 202 Cb 0.49 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 12e8 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 12e8 n SER 203 N 0.34 -3.83 -4.47 4.04 7.64 -0.54 -4.97 113.62 111.84 12e8 n SER 203 Ca 0.12 -0.89 -0.32 0.00 1.01 0.00 0.00 58.87 58.79 12e8 n SER 203 Cb 0.48 -3.38 -0.13 0.00 -1.01 0.00 0.00 64.21 60.17 12e8 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 12e8 s THR 204 N -3.35 2.97 -0.04 0.44 2.01 -0.99 -5.02 115.64 111.66 12e8 s THR 204 Ca 0.64 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.77 12e8 s THR 204 Cb -0.33 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.01 12e8 s THR 204 CO 0.87 0.50 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.72 12e8 s LYS 205 N -0.97 0.82 -0.05 4.92 1.02 -1.26 -1.21 119.74 123.00 12e8 s LYS 205 Ca 0.13 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.00 12e8 s LYS 205 Cb -0.11 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.41 12e8 s LYS 205 CO 0.02 -0.05 -0.07 0.08 -0.92 0.00 0.00 175.35 174.41 12e8 s VAL 206 N 0.77 0.74 -0.17 3.17 1.01 0.54 -5.00 120.40 121.46 12e8 s VAL 206 Ca -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 12e8 s VAL 206 Cb -0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 12e8 s VAL 206 CO 0.00 0.27 -0.11 -1.81 0.00 0.00 0.00 175.10 173.45 12e8 s ASP 207 N 0.86 3.97 -0.21 3.32 1.01 -1.26 -0.80 116.67 123.56 12e8 s ASP 207 Ca -0.12 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.75 12e8 s ASP 207 Cb -0.15 -1.63 0.02 0.00 1.01 0.00 0.00 42.92 42.17 12e8 s ASP 207 CO 0.01 0.08 -0.14 -0.54 0.21 0.00 0.00 175.17 174.79 12e8 s LYS 208 N 0.87 2.92 -0.11 8.23 -0.14 -0.70 -4.97 119.74 125.85 12e8 s LYS 208 Ca -0.03 -0.89 -0.23 0.00 -1.36 0.00 0.00 55.97 53.45 12e8 s LYS 208 Cb -0.15 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.22 12e8 s LYS 208 CO -0.00 -0.29 0.71 0.21 -0.76 0.00 0.00 175.35 175.22 12e8 s LYS 209 N 1.30 4.38 -0.30 1.68 2.20 -1.26 -1.49 119.74 126.24 12e8 s LYS 209 Ca 0.02 0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 56.23 12e8 s LYS 209 Cb -0.15 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 12e8 s LYS 209 CO -0.09 -0.05 0.95 0.42 -0.36 0.00 0.00 175.35 176.22 12e8 s ILE 210 N 1.21 4.65 0.13 5.43 -1.09 0.02 -4.99 121.20 126.56 12e8 s ILE 210 Ca 0.36 1.53 0.10 0.00 -2.23 0.00 0.00 60.65 60.41 12e8 s ILE 210 Cb -0.17 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 12e8 s ILE 210 CO 0.16 -0.35 -0.22 0.68 -1.23 0.00 0.00 174.94 173.97 12e8 s VAL 211 N 3.31 2.54 0.25 2.92 -7.23 -1.26 -4.61 120.40 116.31 12e8 s VAL 211 Ca 0.40 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 12e8 s VAL 211 Cb -0.13 -2.16 -0.12 0.00 0.56 0.00 0.00 36.38 34.52 12e8 s VAL 211 CO 0.13 0.06 1.55 -2.65 -0.31 0.00 0.00 175.10 173.88 12e8 n PRO 212 N 0.75 2.44 0.00 4.82 -0.02 -1.26 -4.79 135.00 136.94 12e8 n PRO 212 Ca -0.16 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 12e8 n PRO 212 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 12e8 n PRO 212 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 12e8 n ARG 213 N 2.50 0.00 0.00 -0.52 5.12 -1.26 -5.12 116.66 117.38 12e8 n ARG 213 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 12e8 n ARG 213 Cb 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 12e8 n ARG 213 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30