#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 2.63 -0.09 2.62 1.01 -1.26 -4.33 120.40 120.99 12e8 s VAL 2 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 12e8 s VAL 2 Cb 0.00 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.28 12e8 s VAL 2 CO 0.00 0.00 0.30 -1.58 0.00 0.00 0.00 175.10 173.82 12e8 s GLN 3 N 2.45 0.42 -0.25 2.72 0.74 -0.31 -5.02 119.66 120.42 12e8 s GLN 3 Ca 0.78 0.25 -0.02 0.00 0.05 0.00 0.00 55.36 56.42 12e8 s GLN 3 Cb -0.44 0.20 0.02 0.00 1.10 0.00 0.00 33.01 33.89 12e8 s GLN 3 CO 0.34 -0.07 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.45 12e8 s LEU 4 N -0.22 3.17 -0.25 3.68 1.02 -1.26 -1.03 118.68 123.78 12e8 s LEU 4 Ca -0.04 -0.79 -0.06 0.00 0.02 0.00 0.00 54.13 53.27 12e8 s LEU 4 Cb -0.03 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.49 12e8 s LEU 4 CO 0.01 -0.12 0.03 -1.58 0.02 0.00 0.00 176.35 174.71 12e8 s GLN 5 N 1.36 3.33 0.21 1.70 2.00 -0.01 -3.93 119.66 124.32 12e8 s GLN 5 Ca 0.01 -0.68 0.02 0.00 -2.00 0.00 0.00 55.36 52.72 12e8 s GLN 5 Cb -0.16 -3.21 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 12e8 s GLN 5 CO -0.04 -0.28 0.36 -0.65 -0.50 0.00 0.00 175.29 174.17 12e8 s GLN 6 N 1.51 3.46 0.84 1.67 -0.21 -1.26 -0.21 119.66 125.47 12e8 s GLN 6 Ca 0.05 -0.56 -0.11 0.00 0.02 0.00 0.00 55.36 54.76 12e8 s GLN 6 Cb -0.16 -2.88 0.10 0.00 1.00 0.00 0.00 33.01 31.07 12e8 s GLN 6 CO 0.00 0.43 1.09 -1.54 -2.12 0.00 0.00 175.29 173.16 12e8 s SER 7 N -3.51 3.93 0.95 5.90 1.04 -0.84 -4.98 113.70 116.19 12e8 s SER 7 Ca 0.36 1.68 -0.12 0.00 0.48 0.00 0.00 55.95 58.35 12e8 s SER 7 Cb -0.10 -2.36 0.16 0.00 0.10 0.00 0.00 66.02 63.82 12e8 s SER 7 CO 0.29 -2.38 1.09 -0.83 0.98 0.00 0.00 173.24 172.39 12e8 s GLY 8 N -3.37 1.60 0.50 7.32 0.00 -1.26 -4.63 107.32 107.48 12e8 s GLY 8 Ca 0.62 -0.09 -0.23 0.00 0.00 0.00 0.00 44.72 45.02 12e8 s GLY 8 CO 0.57 0.45 1.35 0.00 0.00 0.00 0.00 173.10 175.47 12e8 n ALA 9 N -4.10 1.63 -2.60 3.20 0.00 -1.26 -4.79 120.51 112.58 12e8 n ALA 9 Ca 0.06 0.19 -0.26 0.00 0.00 0.00 0.00 53.44 53.42 12e8 n ALA 9 Cb 0.55 -2.34 -0.16 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.62 1.69 -0.30 0.00 0.41 -0.30 -4.98 118.70 112.60 12e8 s GLU 10 Ca 0.67 -0.68 -0.03 0.00 -0.41 0.00 0.00 54.97 54.51 12e8 s GLU 10 Cb -0.44 -1.57 0.04 0.00 -1.78 0.00 0.00 34.13 30.38 12e8 s GLU 10 CO 0.53 0.36 0.03 0.08 -0.49 0.00 0.00 175.26 175.77 12e8 s VAL 11 N -0.29 3.25 0.22 2.63 1.01 -1.26 -0.73 120.40 125.24 12e8 s VAL 11 Ca 0.03 -1.23 0.11 0.00 0.00 0.00 0.00 61.98 60.89 12e8 s VAL 11 Cb -0.09 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 12e8 s VAL 11 CO 0.00 -0.08 -0.20 0.68 0.00 0.00 0.00 175.10 175.50 12e8 s VAL 12 N 1.32 2.21 0.22 2.92 -7.23 0.20 -4.97 120.40 115.07 12e8 s VAL 12 Ca -0.03 -2.17 -0.25 0.00 -1.81 0.00 0.00 61.98 57.72 12e8 s VAL 12 Cb -0.19 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.54 12e8 s VAL 12 CO -0.00 -0.32 0.82 -0.13 -0.31 0.00 0.00 175.10 175.16 12e8 s ARG 13 N -3.13 4.53 0.34 4.82 0.52 -1.26 -2.03 118.95 122.74 12e8 s ARG 13 Ca 0.23 1.16 -0.28 0.00 -0.52 0.00 0.00 55.73 56.33 12e8 s ARG 13 Cb -0.05 -3.07 -0.12 0.00 0.52 0.00 0.00 34.95 32.23 12e8 s ARG 13 CO 0.11 0.46 1.29 0.43 0.02 0.00 0.00 175.30 177.60 12e8 n SER 14 N 1.13 2.76 0.00 0.23 7.64 -0.89 -1.90 113.62 122.59 12e8 n SER 14 Ca -0.03 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.06 12e8 n SER 14 Cb 0.49 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 0.77 3.06 0.00 0.23 0.00 0.87 -4.92 105.19 105.20 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 -1.20 0.00 -2.28 4.61 0.00 -0.80 -4.14 120.51 116.71 12e8 n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 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 -1.00 1.50 -0.06 0.00 0.01 -1.26 -1.66 113.70 111.23 12e8 s SER 17 Ca 0.00 -0.96 -0.11 0.00 1.31 0.00 0.00 55.95 56.18 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 0.00 173.24 174.11 12e8 s VAL 18 N -3.22 0.03 -0.19 3.43 0.11 -0.42 -4.99 120.40 115.15 12e8 s VAL 18 Ca 0.12 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 12e8 s VAL 18 Cb 0.02 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 12e8 s VAL 18 CO -0.01 -0.13 -0.17 -0.75 -3.33 0.00 0.00 175.10 170.71 12e8 s LYS 19 N -0.52 2.66 0.08 1.54 2.20 -1.26 -0.64 119.74 123.80 12e8 s LYS 19 Ca -0.06 -0.90 -0.08 0.00 -0.36 0.00 0.00 55.97 54.57 12e8 s LYS 19 Cb -0.04 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.67 12e8 s LYS 19 CO 0.02 -0.31 0.37 -0.51 -0.36 0.00 0.00 175.35 174.56 12e8 s LEU 20 N 1.29 4.34 0.20 5.43 1.02 0.95 -4.91 118.68 126.99 12e8 s LEU 20 Ca 0.02 0.70 0.11 0.00 0.02 0.00 0.00 54.13 54.97 12e8 s LEU 20 Cb -0.15 -2.98 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 12e8 s LEU 20 CO -0.11 0.17 -0.19 -0.94 0.02 0.00 0.00 176.35 175.30 12e8 s SER 21 N -1.89 3.69 -0.20 2.29 1.04 -1.26 -0.88 113.70 116.49 12e8 s SER 21 Ca 0.33 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 12e8 s SER 21 Cb -0.13 -0.40 0.09 0.00 0.10 0.00 0.00 66.02 65.68 12e8 s SER 21 CO 0.19 0.10 0.20 0.00 0.98 0.00 0.00 173.24 174.72 12e8 s THR 23 N 2.30 4.49 0.02 0.00 2.01 0.71 -1.03 115.64 124.13 12e8 s THR 23 Ca 0.06 -0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 12e8 s THR 23 Cb -0.16 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 12e8 s THR 23 CO -0.13 0.43 0.53 0.00 -0.69 0.00 0.00 174.62 174.77 12e8 s ALA 24 N 0.73 3.58 0.05 7.40 0.00 0.03 -0.83 121.76 132.73 12e8 s ALA 24 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.97 12e8 s ALA 24 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 12e8 s ALA 24 CO 0.02 0.32 -0.08 -1.54 0.00 0.00 0.00 175.76 174.49 12e8 s SER 25 N -0.72 0.92 0.00 0.00 1.04 -0.20 -4.78 113.70 109.96 12e8 s SER 25 Ca 0.28 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.08 12e8 s SER 25 Cb -0.18 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.98 12e8 s SER 25 CO 0.17 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.75 12e8 n GLY 26 N 1.20 2.11 3.83 7.32 0.00 -1.26 -1.17 105.19 117.22 12e8 n GLY 26 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.40 -0.08 -0.10 1.61 -0.71 -1.26 -4.62 117.98 109.42 12e8 s PHE 27 Ca 0.00 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 55.49 12e8 s PHE 27 Cb 0.00 0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 42.52 12e8 s PHE 27 CO 0.00 -1.24 -0.13 -0.80 -1.34 0.00 0.00 175.22 171.71 12e8 s ASN 28 N -3.00 4.07 0.26 1.98 0.01 -1.26 -4.91 114.94 112.09 12e8 s ASN 28 Ca 0.13 -0.27 0.25 0.00 -0.71 0.00 0.00 52.86 52.27 12e8 s ASN 28 Cb -0.05 -1.36 0.87 0.00 0.41 0.00 0.00 41.25 41.12 12e8 s ASN 28 CO 0.07 0.23 1.75 0.16 -1.51 0.00 0.00 177.10 177.81 12e8 h ILE 29 N 5.01 0.00 -0.85 0.60 3.07 -1.92 -3.37 117.51 120.05 12e8 h ILE 29 Ca -0.33 -0.43 0.21 0.00 1.55 0.00 0.00 64.86 65.86 12e8 h ILE 29 Cb 1.19 1.33 -0.13 0.00 -0.27 0.00 0.00 36.82 38.95 12e8 h ILE 29 CO 0.54 0.00 0.28 0.50 -1.05 0.00 0.00 178.15 178.42 12e8 h LYS 30 N 0.00 0.29 -0.82 0.16 3.64 -1.92 -0.53 116.57 117.38 12e8 h LYS 30 Ca 0.00 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 12e8 h LYS 30 Cb 0.61 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.25 12e8 h LYS 30 CO 0.00 0.19 0.26 -0.25 -2.27 0.00 0.00 179.45 177.38 12e8 n ASP 31 N -5.14 4.27 -4.47 4.20 8.00 -1.26 -4.06 116.55 118.09 12e8 n ASP 31 Ca 0.20 -3.02 -0.23 0.00 0.71 0.00 0.00 54.79 52.45 12e8 n ASP 31 Cb 0.62 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.55 2.09 -0.14 1.24 1.51 -0.21 -1.57 117.35 117.72 12e8 s TYR 32 Ca 0.45 -0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 12e8 s TYR 32 Cb 0.36 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 12e8 s TYR 32 CO 0.11 0.30 -0.01 0.71 -1.11 0.00 0.00 175.55 175.55 12e8 s TYR 33 N -2.96 3.10 -0.27 2.71 1.51 0.51 -4.21 117.35 117.74 12e8 s TYR 33 Ca 0.32 -0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.19 12e8 s TYR 33 Cb 0.05 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 12e8 s TYR 33 CO 0.14 0.14 0.15 0.42 -1.11 0.00 0.00 175.55 175.29 12e8 s ILE 34 N 0.00 5.02 0.21 2.71 -1.09 -0.56 -2.37 121.20 125.13 12e8 s ILE 34 Ca 0.02 0.07 0.08 0.00 -2.23 0.00 0.00 60.65 58.59 12e8 s ILE 34 Cb -0.13 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 12e8 s ILE 34 CO 0.02 0.29 0.02 -1.00 -1.23 0.00 0.00 174.94 173.03 12e8 s HIS 35 N 1.64 2.82 -0.02 3.97 3.76 -0.25 -1.28 115.29 125.93 12e8 s HIS 35 Ca 0.07 -0.17 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 12e8 s HIS 35 Cb -0.15 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 12e8 s HIS 35 CO 0.08 0.55 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.75 12e8 s TRP 36 N -1.98 1.77 -0.01 1.40 0.52 -0.79 -0.45 118.94 119.40 12e8 s TRP 36 Ca 0.29 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.06 12e8 s TRP 36 Cb -0.08 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.09 12e8 s TRP 36 CO 0.20 -0.05 -0.03 0.14 0.02 0.00 0.00 176.95 177.23 12e8 s VAL 37 N -0.40 0.25 -0.03 4.03 -7.23 -0.35 -0.90 120.40 115.78 12e8 s VAL 37 Ca 0.06 -0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 12e8 s VAL 37 Cb -0.08 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 12e8 s VAL 37 CO -0.00 0.09 0.19 -0.75 -0.31 0.00 0.00 175.10 174.31 12e8 s LYS 38 N 0.13 3.46 -0.23 4.82 2.20 0.83 -1.34 119.74 129.60 12e8 s LYS 38 Ca -0.01 -0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.32 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 -0.00 0.69 0.06 -1.14 -0.36 0.00 0.00 175.35 174.60 12e8 s GLN 39 N -1.75 0.61 0.40 4.03 0.74 0.07 -0.22 119.66 123.54 12e8 s GLN 39 Ca 0.25 -0.58 -0.17 0.00 0.05 0.00 0.00 55.36 54.91 12e8 s GLN 39 Cb -0.13 -1.98 -0.09 0.00 1.10 0.00 0.00 33.01 31.92 12e8 s GLN 39 CO 0.16 -0.77 0.86 1.03 -0.55 0.00 0.00 175.29 176.02 12e8 s ARG 40 N 1.83 4.06 0.14 1.67 0.52 -1.26 -1.27 118.95 124.65 12e8 s ARG 40 Ca 0.03 0.87 -0.35 0.00 -0.52 0.00 0.00 55.73 55.76 12e8 s ARG 40 Cb -0.17 -2.29 -0.15 0.00 0.52 0.00 0.00 34.95 32.87 12e8 s ARG 40 CO -0.15 0.00 1.49 -2.30 0.02 0.00 0.00 175.30 174.37 12e8 n PRO 41 N -0.74 1.84 -2.01 3.54 -0.02 -1.26 -0.85 135.00 135.49 12e8 n PRO 41 Ca 0.05 0.66 -0.18 0.00 -2.02 0.00 0.00 63.50 62.01 12e8 n PRO 41 Cb 0.54 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.07 -1.37 -4.08 -0.52 -0.58 -1.26 -4.97 120.64 110.93 12e8 n GLU 42 Ca 0.17 0.98 -0.08 0.00 -0.42 0.00 0.00 57.16 57.82 12e8 n GLU 42 Cb 0.26 -5.39 -0.10 0.00 -0.57 0.00 0.00 31.44 25.64 12e8 n GLU 42 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 12e8 s LYS 43 N -4.35 0.69 0.70 3.49 1.02 -0.03 -5.16 119.74 116.10 12e8 s LYS 43 Ca 0.00 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.65 12e8 s LYS 43 Cb 0.00 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 12e8 s LYS 43 CO 0.00 -0.15 1.08 0.20 -0.92 0.00 0.00 175.35 175.56 12e8 s GLY 44 N -2.94 1.64 0.28 -3.33 0.00 -1.26 -4.34 107.32 97.38 12e8 s GLY 44 Ca 0.10 -0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 12e8 s GLY 44 CO -0.08 0.11 1.44 1.08 0.00 0.00 0.00 173.10 175.65 12e8 s LEU 45 N -5.41 4.38 -0.09 0.66 1.43 -1.26 -4.42 118.68 113.97 12e8 s LEU 45 Ca 0.58 2.75 0.02 0.00 -1.03 0.00 0.00 54.13 56.45 12e8 s LEU 45 Cb -0.12 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.48 12e8 s LEU 45 CO 0.53 -0.72 -0.13 -1.83 0.23 0.00 0.00 176.35 174.42 12e8 s GLU 46 N -0.85 1.95 0.26 1.70 -1.05 0.69 -4.96 118.70 116.45 12e8 s GLU 46 Ca 0.57 -0.47 -0.30 0.00 -0.15 0.00 0.00 54.97 54.63 12e8 s GLU 46 Cb -0.43 -1.68 -0.10 0.00 -0.44 0.00 0.00 34.13 31.48 12e8 s GLU 46 CO 0.48 -0.05 1.34 -0.46 0.95 0.00 0.00 175.26 177.51 12e8 s TRP 47 N 0.96 3.13 -0.26 4.83 -0.00 -1.26 -0.12 118.94 126.22 12e8 s TRP 47 Ca -0.08 1.25 -0.02 0.00 -0.00 0.00 0.00 56.10 57.24 12e8 s TRP 47 Cb -0.15 -3.68 -0.16 0.00 -0.00 0.00 0.00 33.47 29.49 12e8 s TRP 47 CO -0.00 -2.05 -0.26 -0.89 -0.00 0.00 0.00 176.95 173.74 12e8 n ILE 48 N 1.87 1.49 -2.89 5.86 5.41 -0.08 -4.85 119.36 126.17 12e8 n ILE 48 Ca 0.04 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.27 12e8 n ILE 48 Cb 0.42 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 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 2.00 -0.78 3.16 7.39 0.00 -1.22 -1.86 105.19 113.88 12e8 n GLY 49 Ca -0.48 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.72 0.95 0.02 1.61 1.48 -0.67 -1.88 118.94 117.74 12e8 s TRP 50 Ca 0.00 -1.28 0.03 0.00 -1.06 0.00 0.00 56.10 53.79 12e8 s TRP 50 Cb 0.00 -0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 31.79 12e8 s TRP 50 CO 0.00 -0.55 -0.08 -1.50 -4.06 0.00 0.00 176.95 170.76 12e8 s ILE 51 N -4.08 0.61 -0.50 0.66 2.07 -0.40 -1.01 121.20 118.55 12e8 s ILE 51 Ca 0.28 -0.73 -0.10 0.00 -1.41 0.00 0.00 60.65 58.69 12e8 s ILE 51 Cb 0.07 -0.59 0.13 0.00 0.13 0.00 0.00 42.46 42.20 12e8 s ILE 51 CO 0.05 -0.11 0.39 -0.62 -1.91 0.00 0.00 174.94 172.74 12e8 s ASP 52 N -0.92 5.80 0.30 4.50 -1.08 0.12 -1.49 116.67 123.90 12e8 s ASP 52 Ca -0.03 -1.97 0.22 0.00 -0.52 0.00 0.00 52.55 50.25 12e8 s ASP 52 Cb -0.06 -2.04 1.12 0.00 -1.46 0.00 0.00 42.92 40.47 12e8 s ASP 52 CO 0.00 -0.70 1.68 -2.65 0.52 0.00 0.00 175.17 174.03 12e8 n PRO 52 N 4.86 0.16 -0.03 4.34 -0.02 -1.26 0.15 135.00 143.21 12e8 n PRO 52 Ca -0.07 0.57 -0.16 0.00 -2.02 0.00 0.00 63.50 61.81 12e8 n PRO 52 Cb 0.41 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 12e8 n PRO 52 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 12e8 h GLU 53 N 0.00 0.78 -0.00 -0.52 4.81 -1.88 -3.36 114.58 114.41 12e8 h GLU 53 Ca 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 12e8 h GLU 53 Cb 0.13 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.63 12e8 h GLU 53 CO 0.00 1.23 -0.14 0.44 -0.73 0.00 0.00 179.01 179.81 12e8 n ILE 54 N -3.94 0.00 -0.29 2.32 -5.35 -0.58 -5.00 119.36 106.52 12e8 n ILE 54 Ca -0.07 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 12e8 n ILE 54 Cb 0.73 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 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 1.01 1.58 3.75 3.28 0.00 0.12 -5.02 105.19 109.91 12e8 n GLY 55 Ca 0.01 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 -3.23 6.40 0.14 1.61 1.11 -1.23 -4.71 116.67 116.75 12e8 s ASP 56 Ca 0.00 2.92 0.06 0.00 0.18 0.00 0.00 52.55 55.71 12e8 s ASP 56 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 12e8 s ASP 56 CO 0.00 -0.89 -0.14 0.42 1.18 0.00 0.00 175.17 175.74 12e8 s THR 57 N -0.04 1.38 -0.04 -1.27 -4.23 -1.26 0.12 115.64 110.31 12e8 s THR 57 Ca 0.62 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 12e8 s THR 57 Cb -0.47 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 71.76 12e8 s THR 57 CO 0.48 -0.47 0.06 -0.70 -0.54 0.00 0.00 174.62 173.45 12e8 s GLU 58 N -2.90 -0.07 0.07 3.99 2.12 -0.18 -4.99 118.70 116.73 12e8 s GLU 58 Ca 0.12 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.85 12e8 s GLU 58 Cb -0.04 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 12e8 s GLU 58 CO 0.03 -0.30 -0.06 0.71 -0.54 0.00 0.00 175.26 175.10 12e8 s TYR 59 N 1.99 2.86 0.40 5.30 2.02 -1.26 -1.66 117.35 126.99 12e8 s TYR 59 Ca 0.03 -0.08 -0.17 0.00 -0.37 0.00 0.00 57.07 56.48 12e8 s TYR 59 Cb -0.12 -1.52 -0.09 0.00 -0.40 0.00 0.00 41.96 39.83 12e8 s TYR 59 CO -0.03 0.42 0.85 0.54 -1.57 0.00 0.00 175.55 175.76 12e8 s VAL 60 N -1.17 4.57 0.55 0.71 0.11 -0.78 -4.95 120.40 119.45 12e8 s VAL 60 Ca 0.21 1.13 0.23 0.00 -2.93 0.00 0.00 61.98 60.62 12e8 s VAL 60 Cb -0.11 -3.64 0.33 0.00 -1.53 0.00 0.00 36.38 31.43 12e8 s VAL 60 CO 0.13 -0.34 2.12 -0.65 -3.33 0.00 0.00 175.10 173.03 12e8 h PRO 61 N 1.82 0.00 0.00 1.54 0.11 -1.98 -1.13 132.00 132.36 12e8 h PRO 61 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 12e8 h PRO 61 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 12e8 h PRO 61 CO 0.63 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 178.20 12e8 h LYS 62 N 0.00 0.00 -0.23 1.05 3.64 -1.96 -3.02 116.57 116.05 12e8 h LYS 62 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 12e8 h LYS 62 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 12e8 h LYS 62 CO -0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 12e8 n PHE 63 N -2.94 0.47 -2.17 1.91 3.72 -0.43 -4.89 117.46 113.13 12e8 n PHE 63 Ca 0.00 -0.65 -0.43 0.00 -0.05 0.00 0.00 57.45 56.33 12e8 n PHE 63 Cb 0.24 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 12e8 n PHE 63 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 12e8 s GLN 64 N -1.67 4.15 0.00 -1.08 1.11 -1.14 -1.83 119.66 119.20 12e8 s GLN 64 Ca 0.25 1.93 0.00 0.00 0.01 0.00 0.00 55.36 57.55 12e8 s GLN 64 Cb 0.17 -3.91 0.00 0.00 -1.01 0.00 0.00 33.01 28.26 12e8 s GLN 64 CO 0.10 -0.85 0.00 0.41 0.01 0.00 0.00 175.29 174.96 12e8 n GLY 65 N 4.00 0.89 0.30 3.09 0.00 -1.26 -4.83 105.19 107.39 12e8 n GLY 65 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 0.47 -4.46 1.61 3.00 -0.79 -4.90 118.16 111.09 12e8 n LYS 66 Ca 0.00 0.21 -0.32 0.00 -0.00 0.00 0.00 58.31 58.20 12e8 n LYS 66 Cb 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 35.03 33.62 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 -2.44 2.94 -0.13 3.14 0.00 -0.76 -4.16 121.76 120.35 12e8 s ALA 67 Ca -0.31 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.55 12e8 s ALA 67 Cb 0.11 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.24 12e8 s ALA 67 CO 0.39 0.61 0.03 0.99 0.00 0.00 0.00 175.76 177.78 12e8 s THR 68 N -1.02 0.36 -0.12 0.00 2.01 -0.08 -4.87 115.64 111.94 12e8 s THR 68 Ca 0.17 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 12e8 s THR 68 Cb -0.11 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 12e8 s THR 68 CO 0.08 0.03 0.11 -0.04 -0.69 0.00 0.00 174.62 174.11 12e8 s MET 69 N 1.96 3.39 0.15 4.92 -1.94 -1.26 -0.77 119.30 125.74 12e8 s MET 69 Ca 0.02 -0.19 -0.00 0.00 -1.71 0.00 0.00 55.69 53.82 12e8 s MET 69 Cb -0.14 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 12e8 s MET 69 CO -0.07 0.75 0.04 0.95 -0.01 0.00 0.00 175.02 176.68 12e8 s THR 70 N -0.94 0.31 0.19 2.05 -4.23 -0.76 -4.98 115.64 107.28 12e8 s THR 70 Ca 0.14 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 12e8 s THR 70 Cb -0.12 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.67 12e8 s THR 70 CO 0.03 -0.48 0.44 0.00 -0.54 0.00 0.00 174.62 174.08 12e8 s ALA 71 N -3.90 -0.55 -0.26 3.99 0.00 -1.26 -0.78 121.76 119.00 12e8 s ALA 71 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 12e8 s ALA 71 Cb 0.07 0.88 0.14 0.00 0.00 0.00 0.00 23.12 24.21 12e8 s ALA 71 CO 0.02 -0.76 0.38 0.34 0.00 0.00 0.00 175.76 175.74 12e8 s ASP 72 N -2.92 0.33 0.45 0.00 2.15 -0.35 -4.99 116.67 111.34 12e8 s ASP 72 Ca 0.13 0.05 0.23 0.00 0.43 0.00 0.00 52.55 53.39 12e8 s ASP 72 Cb 0.00 1.09 1.07 0.00 -0.30 0.00 0.00 42.92 44.79 12e8 s ASP 72 CO -0.00 -0.32 1.91 0.71 -0.17 0.00 0.00 175.17 177.30 12e8 h THR 73 N 6.18 0.70 -0.10 1.71 1.35 -1.85 -1.42 112.91 119.49 12e8 h THR 73 Ca -0.17 -0.97 -0.15 0.00 -0.55 0.00 0.00 66.41 64.57 12e8 h THR 73 Cb 1.14 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 12e8 h THR 73 CO 0.27 0.22 -0.58 0.28 -0.25 0.00 0.00 175.52 175.46 12e8 h SER 74 N 0.00 0.35 -0.02 5.36 0.02 -1.96 -3.04 113.55 114.26 12e8 h SER 74 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 12e8 h SER 74 Cb 0.59 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.03 12e8 h SER 74 CO 0.03 0.86 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.91 12e8 n SER 75 N -3.90 2.63 -3.73 3.07 3.41 -1.19 -4.97 113.62 108.93 12e8 n SER 75 Ca -0.03 -1.83 -0.23 0.00 -0.26 0.00 0.00 58.87 56.53 12e8 n SER 75 Cb 0.61 0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.90 -2.01 -4.00 4.04 3.02 -0.58 -4.77 115.26 111.86 12e8 n ASN 76 Ca 0.13 -0.80 -0.20 0.00 -0.03 0.00 0.00 54.58 53.68 12e8 n ASN 76 Cb 0.55 -4.08 -0.15 0.00 -0.61 0.00 0.00 39.78 35.49 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 -3.58 0.75 0.05 3.41 2.01 -0.90 -0.79 115.64 116.59 12e8 s THR 77 Ca 0.14 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.87 12e8 s THR 77 Cb -0.07 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 12e8 s THR 77 CO 0.81 0.23 -0.18 0.00 -0.69 0.00 0.00 174.62 174.80 12e8 s ALA 78 N 0.16 2.62 0.09 7.40 0.00 -0.20 -1.21 121.76 130.61 12e8 s ALA 78 Ca -0.02 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 50.81 12e8 s ALA 78 Cb -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 12e8 s ALA 78 CO 0.00 0.58 -0.21 0.71 0.00 0.00 0.00 175.76 176.84 12e8 s TYR 79 N -0.96 1.77 -0.18 0.00 2.02 0.04 -0.57 117.35 119.47 12e8 s TYR 79 Ca 0.15 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 12e8 s TYR 79 Cb -0.11 -0.98 0.04 0.00 -0.40 0.00 0.00 41.96 40.52 12e8 s TYR 79 CO 0.06 0.18 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.99 12e8 s LEU 80 N -1.78 1.83 -0.20 -1.29 2.96 -0.06 -1.83 118.68 118.30 12e8 s LEU 80 Ca 0.06 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 12e8 s LEU 80 Cb -0.10 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 12e8 s LEU 80 CO 0.04 -0.18 0.11 -1.10 -1.32 0.00 0.00 176.35 173.90 12e8 s GLN 81 N 1.56 4.11 0.25 1.98 -0.21 0.05 -0.03 119.66 127.38 12e8 s GLN 81 Ca -0.00 -0.26 0.12 0.00 0.02 0.00 0.00 55.36 55.23 12e8 s GLN 81 Cb -0.16 -3.38 -0.05 0.00 1.00 0.00 0.00 33.01 30.43 12e8 s GLN 81 CO -0.08 0.26 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.63 12e8 s LEU 82 N 0.46 2.54 0.00 2.90 1.43 0.18 -0.90 118.68 125.30 12e8 s LEU 82 Ca 0.07 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 12e8 s LEU 82 Cb -0.12 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.98 12e8 s LEU 82 CO -0.01 0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.44 12e8 n SER 82 N -0.36 0.00 -4.76 2.29 7.64 -0.99 -1.30 113.62 116.14 12e8 n SER 82 Ca -0.07 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.44 12e8 n SER 82 Cb 0.59 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.35 3.91 0.27 -3.43 1.43 -0.66 -4.67 118.68 113.18 12e8 s LEU 82 Ca 0.00 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 55.54 12e8 s LEU 82 Cb 0.00 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 12e8 s LEU 82 CO 0.00 -1.19 0.11 0.42 0.23 0.00 0.00 176.35 175.92 12e8 s THR 83 N -1.50 0.49 0.33 5.49 -4.23 -1.26 -0.09 115.64 114.86 12e8 s THR 83 Ca 0.68 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 12e8 s THR 83 Cb -0.31 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.25 12e8 s THR 83 CO 0.37 0.00 1.80 0.28 -0.54 0.00 0.00 174.62 176.54 12e8 h SER 84 N 2.33 0.72 0.37 3.99 0.02 -1.97 -0.45 113.55 118.55 12e8 h SER 84 Ca -0.37 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 12e8 h SER 84 Cb 1.25 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.73 12e8 h SER 84 CO 0.58 0.28 0.00 -0.33 -1.14 0.00 0.00 176.83 176.23 12e8 h GLU 85 N 0.72 0.00 -0.00 3.45 4.39 -1.96 -1.56 114.58 119.61 12e8 h GLU 85 Ca 0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.24 12e8 h GLU 85 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 12e8 h GLU 85 CO -0.31 0.00 -0.17 -0.25 -1.16 0.00 0.00 179.01 177.12 12e8 n ASP 86 N -2.34 0.45 -4.66 1.42 8.00 -0.18 -4.83 116.55 114.42 12e8 n ASP 86 Ca 0.00 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 12e8 n ASP 86 Cb 0.13 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.64 3.19 -0.08 -3.53 2.01 -0.59 -4.86 115.64 109.14 12e8 s THR 87 Ca 0.23 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 12e8 s THR 87 Cb 0.19 -3.19 0.12 0.00 0.01 0.00 0.00 72.50 69.64 12e8 s THR 87 CO 0.52 -0.02 1.38 0.00 -0.69 0.00 0.00 174.62 175.81 12e8 s ALA 88 N 4.12 -2.58 -0.20 7.40 0.00 -0.88 -4.65 121.76 124.98 12e8 s ALA 88 Ca 0.82 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 12e8 s ALA 88 Cb -0.39 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 12e8 s ALA 88 CO 0.37 -1.11 0.15 0.08 0.00 0.00 0.00 175.76 175.24 12e8 s VAL 89 N -2.06 5.40 -0.15 0.00 1.01 -0.39 -1.15 120.40 123.05 12e8 s VAL 89 Ca 0.22 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 12e8 s VAL 89 Cb 0.04 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 12e8 s VAL 89 CO -0.04 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.10 12e8 s TYR 90 N 0.38 2.92 0.03 5.22 1.51 0.63 -0.75 117.35 127.29 12e8 s TYR 90 Ca 0.09 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 12e8 s TYR 90 Cb -0.11 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 12e8 s TYR 90 CO -0.01 -0.19 -0.17 0.71 -1.11 0.00 0.00 175.55 174.77 12e8 s TYR 91 N 0.54 2.59 0.10 2.71 2.02 -0.45 -0.35 117.35 124.50 12e8 s TYR 91 Ca -0.06 -0.24 0.07 0.00 -0.37 0.00 0.00 57.07 56.48 12e8 s TYR 91 Cb -0.15 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 12e8 s TYR 91 CO 0.03 0.25 -0.10 0.00 -1.57 0.00 0.00 175.55 174.16 12e8 s ASN 93 N -2.19 0.15 0.03 0.00 2.20 0.40 -0.79 114.94 114.73 12e8 s ASN 93 Ca 0.21 -1.14 0.01 0.00 -0.94 0.00 0.00 52.86 51.00 12e8 s ASN 93 Cb -0.11 0.55 -0.02 0.00 -2.00 0.00 0.00 41.25 39.67 12e8 s ASN 93 CO 0.14 -1.09 -0.05 0.00 -2.94 0.00 0.00 177.10 173.15 12e8 s ALA 94 N -3.88 0.32 -0.03 3.54 0.00 0.51 -1.08 121.76 121.14 12e8 s ALA 94 Ca 0.28 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 12e8 s ALA 94 Cb 0.01 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.26 12e8 s ALA 94 CO 0.12 -0.09 0.39 0.20 0.00 0.00 0.00 175.76 176.38 12e8 s GLY 95 N -1.43 -0.24 0.17 0.00 0.00 -1.00 -3.41 107.32 101.40 12e8 s GLY 95 Ca -0.12 0.58 -0.33 0.00 0.00 0.00 0.00 44.72 44.84 12e8 s GLY 95 CO -0.00 0.35 1.22 1.42 0.00 0.00 0.00 173.10 176.09 12e8 n HIS 96 N 1.36 1.44 -0.04 1.90 8.25 -1.26 -0.36 115.22 126.50 12e8 n HIS 96 Ca -0.20 0.64 0.13 0.00 -0.26 0.00 0.00 57.72 58.03 12e8 n HIS 96 Cb 0.56 -2.31 0.55 0.00 1.12 0.00 0.00 29.99 29.91 12e8 n HIS 96 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 12e8 h ASP 97 N 3.67 0.26 0.06 0.41 3.04 -1.55 -0.53 116.42 121.79 12e8 h ASP 97 Ca -0.44 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 12e8 h ASP 97 Cb 1.33 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 12e8 h ASP 97 CO 0.72 0.16 -0.03 0.00 -2.04 0.00 0.00 179.24 178.05 12e8 n TYR 98 N -4.46 0.00 -3.42 4.15 4.11 -1.26 -4.87 117.16 111.41 12e8 n TYR 98 Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.61 12e8 n TYR 98 Cb 0.40 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.34 39.65 12e8 n TYR 98 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 12e8 s ASP 99 N -2.10 6.86 0.45 9.48 -1.08 -0.21 -5.01 116.67 125.07 12e8 s ASP 99 Ca 0.39 1.02 0.12 0.00 -0.52 0.00 0.00 52.55 53.56 12e8 s ASP 99 Cb 0.21 -2.28 1.04 0.00 -1.46 0.00 0.00 42.92 40.42 12e8 s ASP 99 CO 0.38 0.27 2.07 0.03 0.52 0.00 0.00 175.17 178.44 12e8 h ARG 100 N 4.94 0.33 0.00 4.34 3.08 -1.89 -3.44 114.38 121.73 12e8 h ARG 100 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 12e8 h ARG 100 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 12e8 h ARG 100 CO 0.64 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 180.17 12e8 n GLY 100 N -1.51 0.00 3.75 0.04 0.00 -1.26 -5.14 105.19 101.07 12e8 n GLY 100 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 12e8 n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 12e8 s ARG 100 N 0.00 4.53 -0.85 1.61 0.52 -1.26 -4.99 118.95 118.50 12e8 s ARG 100 Ca 0.00 1.93 -0.00 0.00 -0.52 0.00 0.00 55.73 57.14 12e8 s ARG 100 Cb 0.00 -3.18 0.21 0.00 0.52 0.00 0.00 34.95 32.50 12e8 s ARG 100 CO 0.00 0.02 0.72 -0.06 0.02 0.00 0.00 175.30 176.00 12e8 s PHE 100 N -0.80 3.83 -0.06 -0.53 0.08 -1.26 -4.44 117.98 114.80 12e8 s PHE 100 Ca 0.48 -3.10 0.23 0.00 0.12 0.00 0.00 56.93 54.66 12e8 s PHE 100 Cb -0.34 -3.13 0.65 0.00 -0.57 0.00 0.00 43.02 39.63 12e8 s PHE 100 CO 0.42 -0.70 1.71 -1.00 -0.10 0.00 0.00 175.22 175.56 12e8 h PRO 101 N 5.88 0.00 -4.57 0.24 0.13 -1.95 -3.44 132.00 128.30 12e8 h PRO 101 Ca 0.16 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.75 12e8 h PRO 101 Cb 0.80 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.59 12e8 h PRO 101 CO 0.83 0.21 -0.82 0.71 -0.23 0.00 0.00 178.00 178.70 12e8 s TYR 102 N -3.39 1.57 0.03 1.56 2.02 -1.22 -5.03 117.35 112.89 12e8 s TYR 102 Ca 0.03 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 12e8 s TYR 102 Cb 0.08 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.47 12e8 s TYR 102 CO 0.66 -0.33 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.60 12e8 s TRP 103 N 0.81 1.11 0.78 2.71 0.52 -1.26 -0.36 118.94 123.25 12e8 s TRP 103 Ca -0.12 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.56 12e8 s TRP 103 Cb -0.15 -0.66 0.07 0.00 -1.15 0.00 0.00 33.47 31.57 12e8 s TRP 103 CO 0.02 0.02 1.15 0.20 0.02 0.00 0.00 176.95 178.35 12e8 s GLY 104 N -1.03 1.61 0.00 0.98 0.00 0.03 -4.40 107.32 104.50 12e8 s GLY 104 Ca 0.01 -0.68 0.25 0.00 0.00 0.00 0.00 44.72 44.30 12e8 s GLY 104 CO 0.01 -0.21 1.84 0.61 0.00 0.00 0.00 173.10 175.35 12e8 n GLN 105 N -3.23 0.27 0.00 2.90 0.00 -1.25 -4.75 117.38 111.32 12e8 n GLN 105 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 57.00 57.13 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 0.91 0.05 2.94 2.61 0.00 -1.26 -5.03 105.19 105.42 12e8 n GLY 106 Ca 0.11 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.91 1.02 -0.19 2.61 2.01 0.52 -4.86 115.64 113.83 12e8 s THR 107 Ca 0.00 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 12e8 s THR 107 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 12e8 s THR 107 CO 0.00 0.35 0.73 -0.22 -0.69 0.00 0.00 174.62 174.79 12e8 s LEU 108 N 1.27 4.15 -0.19 4.42 2.96 -1.26 -0.27 118.68 129.76 12e8 s LEU 108 Ca -0.03 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 12e8 s LEU 108 Cb -0.14 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 12e8 s LEU 108 CO -0.03 -0.35 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.87 12e8 s VAL 109 N 2.11 3.12 -0.26 1.68 1.01 -0.30 -1.15 120.40 126.60 12e8 s VAL 109 Ca 0.33 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 12e8 s VAL 109 Cb -0.16 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.87 12e8 s VAL 109 CO 0.11 0.47 -0.04 -0.89 0.00 0.00 0.00 175.10 174.74 12e8 s THR 110 N 1.13 2.93 -0.18 3.92 2.01 0.10 -2.07 115.64 123.48 12e8 s THR 110 Ca 0.01 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 12e8 s THR 110 Cb -0.14 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 12e8 s THR 110 CO -0.02 0.13 0.06 -0.69 -0.69 0.00 0.00 174.62 173.41 12e8 s VAL 111 N 1.31 4.79 -0.11 3.82 1.01 -1.26 -0.63 120.40 129.34 12e8 s VAL 111 Ca -0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 12e8 s VAL 111 Cb -0.17 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.12 12e8 s VAL 111 CO -0.04 0.47 0.65 -0.55 0.00 0.00 0.00 175.10 175.63 12e8 s SER 112 N 0.32 -0.64 0.00 3.32 0.15 -0.86 -4.43 113.70 111.56 12e8 s SER 112 Ca 0.03 0.87 0.23 0.00 0.70 0.00 0.00 55.95 57.79 12e8 s SER 112 Cb -0.12 0.79 0.72 0.00 -1.71 0.00 0.00 66.02 65.69 12e8 s SER 112 CO 0.00 -0.48 1.54 0.00 1.20 0.00 0.00 173.24 175.50 12e8 n ALA 113 N 1.49 2.51 -1.38 5.45 0.00 -1.26 -2.10 120.51 125.23 12e8 n ALA 113 Ca -0.18 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.35 12e8 n ALA 113 Cb 0.56 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.80 2.32 0.24 0.00 0.00 -1.26 -4.94 121.76 116.31 12e8 s ALA 114 Ca 0.34 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.83 12e8 s ALA 114 Cb 0.19 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 12e8 s ALA 114 CO 0.29 -1.56 0.35 0.15 0.00 0.00 0.00 175.76 174.99 12e8 s LYS 115 N -4.38 3.42 0.13 0.00 -0.14 -1.26 -5.04 119.74 112.47 12e8 s LYS 115 Ca 0.66 -0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 54.19 12e8 s LYS 115 Cb -0.20 -2.88 -0.08 0.00 -1.68 0.00 0.00 37.83 32.99 12e8 s LYS 115 CO 0.47 0.43 1.34 0.95 -0.76 0.00 0.00 175.35 177.79 12e8 s THR 116 N -1.97 3.39 -0.04 2.17 -4.23 -1.26 -4.66 115.64 109.03 12e8 s THR 116 Ca 0.34 1.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.89 12e8 s THR 116 Cb -0.09 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.11 12e8 s THR 116 CO 0.29 0.10 -0.04 -0.89 -0.54 0.00 0.00 174.62 173.53 12e8 s THR 117 N 0.86 0.51 0.61 3.99 2.01 0.39 -4.93 115.64 119.08 12e8 s THR 117 Ca 0.62 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 12e8 s THR 117 Cb -0.36 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 12e8 s THR 117 CO 0.32 0.22 1.11 -2.16 -0.69 0.00 0.00 174.62 173.42 12e8 s PRO 118 N 0.89 3.03 0.44 4.92 0.04 -1.26 -1.68 135.00 141.37 12e8 s PRO 118 Ca -0.12 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 12e8 s PRO 118 Cb -0.14 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 12e8 s PRO 118 CO 0.00 -1.08 0.74 -1.25 0.04 0.00 0.00 177.00 175.45 12e8 s PRO 119 N -3.82 3.59 -0.18 0.56 0.04 -1.26 -4.44 135.00 129.49 12e8 s PRO 119 Ca 0.69 0.19 -0.09 0.00 0.04 0.00 0.00 61.00 61.83 12e8 s PRO 119 Cb -0.21 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 12e8 s PRO 119 CO 0.36 -0.10 0.11 -1.12 0.04 0.00 0.00 177.00 176.28 12e8 s SER 120 N -3.83 6.02 -0.25 6.66 0.01 -0.25 -4.92 113.70 117.14 12e8 s SER 120 Ca 0.47 0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.90 12e8 s SER 120 Cb -0.10 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.11 12e8 s SER 120 CO 0.40 0.21 -0.03 -0.69 0.41 0.00 0.00 173.24 173.54 12e8 s VAL 121 N 0.20 3.23 -0.12 3.43 1.01 -1.26 -0.87 120.40 126.02 12e8 s VAL 121 Ca 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 12e8 s VAL 121 Cb -0.12 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 12e8 s VAL 121 CO -0.01 0.25 -0.04 -0.31 0.00 0.00 0.00 175.10 174.99 12e8 s TYR 122 N 1.41 3.01 0.26 5.22 2.02 0.39 -4.95 117.35 124.71 12e8 s TYR 122 Ca 0.03 -0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 12e8 s TYR 122 Cb -0.16 -1.86 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 12e8 s TYR 122 CO -0.03 0.13 0.98 -1.25 -1.57 0.00 0.00 175.55 173.81 12e8 s PRO 123 N -0.14 4.79 -0.48 -1.71 0.04 -1.26 -0.97 135.00 135.27 12e8 s PRO 123 Ca 0.03 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 12e8 s PRO 123 Cb -0.13 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.32 12e8 s PRO 123 CO 0.03 0.43 0.26 -0.51 0.04 0.00 0.00 177.00 177.25 12e8 s LEU 124 N -1.31 5.09 0.06 -3.56 1.02 0.42 -4.90 118.68 115.50 12e8 s LEU 124 Ca 0.43 -2.40 0.05 0.00 0.02 0.00 0.00 54.13 52.22 12e8 s LEU 124 Cb -0.27 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 12e8 s LEU 124 CO 0.33 -0.44 -0.05 0.00 0.02 0.00 0.00 176.35 176.22 12e8 s ALA 125 N 0.59 3.10 0.17 4.21 0.00 -1.26 -1.71 121.76 126.87 12e8 s ALA 125 Ca 0.12 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 12e8 s ALA 125 Cb -0.22 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.72 12e8 s ALA 125 CO -0.04 0.65 0.88 -1.25 0.00 0.00 0.00 175.76 176.00 12e8 s PRO 126 N -1.91 4.71 0.96 0.00 0.04 -1.26 -4.87 135.00 132.67 12e8 s PRO 126 Ca 0.21 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 12e8 s PRO 126 Cb -0.11 -3.30 0.09 0.00 0.04 0.00 0.00 34.50 31.22 12e8 s PRO 126 CO 0.13 0.45 0.68 0.41 0.04 0.00 0.00 177.00 178.71 12e8 n GLY 127 N 1.76 -1.44 2.29 0.56 0.00 -1.26 -4.29 105.19 102.80 12e8 n GLY 127 Ca -0.02 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 12e8 n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 12e8 n SER 128 N -2.59 8.44 -4.50 1.61 3.41 -1.26 -4.89 113.62 113.84 12e8 n SER 128 Ca 0.08 -2.59 -0.43 0.00 -0.26 0.00 0.00 58.87 55.67 12e8 n SER 128 Cb 0.53 -1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 62.91 12e8 n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 12e8 s ALA 129 N 1.88 3.15 -0.94 7.33 0.00 -1.26 -4.97 121.76 126.95 12e8 s ALA 129 Ca 0.69 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 12e8 s ALA 129 Cb 0.19 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 12e8 s ALA 129 CO -0.06 -2.48 1.76 0.00 0.00 0.00 0.00 175.76 174.98 12e8 s ALA 130 N 3.93 2.06 0.00 0.00 0.00 -1.26 -4.55 121.76 121.93 12e8 s ALA 130 Ca 0.27 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.46 12e8 s ALA 130 Cb -0.14 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.44 12e8 s ALA 130 CO 0.16 -4.36 0.37 1.04 0.00 0.00 0.00 175.76 172.97 12e8 n GLN 131 N 8.87 0.23 -1.97 0.00 6.02 -1.26 -5.13 117.38 124.14 12e8 n GLN 131 Ca 0.37 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 12e8 n GLN 131 Cb 0.48 -0.62 0.00 0.00 1.02 0.00 0.00 30.24 31.13 12e8 n GLN 131 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 12e8 n THR 132 N -0.06 -8.89 -3.67 5.09 -2.24 -1.26 -5.08 114.28 98.16 12e8 n THR 132 Ca 0.00 2.23 -0.10 0.00 -2.27 0.00 0.00 64.05 63.91 12e8 n THR 132 Cb 0.31 -3.94 -0.03 0.00 -2.10 0.00 0.00 70.33 64.57 12e8 n THR 132 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 12e8 s ASN 133 N -0.35 -0.33 0.00 3.42 3.84 -1.26 -5.17 114.94 115.09 12e8 s ASN 133 Ca 0.00 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.70 12e8 s ASN 133 Cb 0.00 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 12e8 s ASN 133 CO 0.00 -1.06 0.00 -0.24 -2.79 0.00 0.00 177.10 173.01 12e8 n SER 134 N -0.36 0.00 -2.74 -4.21 2.88 -1.26 -4.91 113.62 103.02 12e8 n SER 134 Ca -0.11 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.14 12e8 n SER 134 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 12e8 n SER 134 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 12e8 n MET 135 N 0.00 0.00 -5.25 -1.46 2.81 -1.26 -4.06 117.12 107.90 12e8 n MET 135 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 12e8 n MET 135 Cb 0.00 -0.63 -0.16 0.00 -0.71 0.00 0.00 33.22 31.72 12e8 n MET 135 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 12e8 s VAL 136 N -0.85 1.98 -0.18 2.03 0.11 -0.24 -4.72 120.40 118.53 12e8 s VAL 136 Ca 0.39 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.34 12e8 s VAL 136 Cb -0.49 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 32.69 12e8 s VAL 136 CO 0.38 0.56 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.77 12e8 s THR 137 N -0.47 3.60 0.33 5.04 2.01 -1.26 -1.28 115.64 123.61 12e8 s THR 137 Ca 0.06 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.71 12e8 s THR 137 Cb -0.11 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 12e8 s THR 137 CO 0.00 0.46 0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 12e8 s LEU 138 N 0.82 3.02 0.30 4.42 1.02 0.49 -4.68 118.68 124.07 12e8 s LEU 138 Ca -0.01 -0.94 -0.17 0.00 0.02 0.00 0.00 54.13 53.03 12e8 s LEU 138 Cb -0.15 -1.42 0.02 0.00 0.02 0.00 0.00 46.19 44.67 12e8 s LEU 138 CO 0.02 -0.22 0.66 -0.83 0.02 0.00 0.00 176.35 176.00 12e8 s GLY 139 N -3.72 0.24 -0.02 -3.19 0.00 -0.69 -0.39 107.32 99.54 12e8 s GLY 139 Ca 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.47 12e8 s GLY 139 CO 0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 173.10 172.98 12e8 s LEU 141 N 0.85 3.99 -0.26 0.00 0.20 -0.15 -1.24 118.68 122.07 12e8 s LEU 141 Ca -0.09 0.04 -0.05 0.00 0.69 0.00 0.00 54.13 54.72 12e8 s LEU 141 Cb -0.12 -2.08 0.01 0.00 -0.43 0.00 0.00 46.19 43.57 12e8 s LEU 141 CO -0.01 0.03 0.01 -0.69 -0.29 0.00 0.00 176.35 175.39 12e8 s VAL 142 N 1.29 3.53 0.05 1.68 1.01 0.39 -0.46 120.40 127.89 12e8 s VAL 142 Ca 0.07 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.37 12e8 s VAL 142 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 12e8 s VAL 142 CO 0.06 0.21 -0.10 -0.75 0.00 0.00 0.00 175.10 174.52 12e8 s LYS 143 N 1.45 0.65 -0.60 2.72 2.20 -0.05 -0.99 119.74 125.12 12e8 s LYS 143 Ca 0.03 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.84 12e8 s LYS 143 Cb -0.16 -0.52 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 12e8 s LYS 143 CO -0.01 0.11 0.25 0.41 -0.36 0.00 0.00 175.35 175.75 12e8 n GLY 144 N 1.56 0.22 3.70 5.54 0.00 0.30 -1.09 105.19 115.41 12e8 n GLY 144 Ca -0.21 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.80 2.77 -0.27 1.61 1.13 -0.99 -4.60 117.35 114.20 12e8 s TYR 145 Ca 0.12 -0.24 -0.23 0.00 -1.41 0.00 0.00 57.07 55.32 12e8 s TYR 145 Cb -0.05 -1.33 0.08 0.00 -1.10 0.00 0.00 41.96 39.55 12e8 s TYR 145 CO 0.15 0.54 0.74 0.12 -2.51 0.00 0.00 175.55 174.60 12e8 s PHE 146 N -2.31 -0.82 0.12 -3.49 2.19 -0.68 -0.30 117.98 112.69 12e8 s PHE 146 Ca 0.33 1.89 -0.00 0.00 0.33 0.00 0.00 56.93 59.48 12e8 s PHE 146 Cb -0.06 0.35 0.02 0.00 -1.31 0.00 0.00 43.02 42.03 12e8 s PHE 146 CO 0.21 -0.40 0.16 -0.35 1.83 0.00 0.00 175.22 176.68 12e8 n PRO 147 N 3.01 0.44 -1.72 10.12 -0.04 -1.26 -0.46 135.00 145.08 12e8 n PRO 147 Ca -0.15 -0.42 -0.31 0.00 -0.04 0.00 0.00 63.50 62.58 12e8 n PRO 147 Cb 0.56 -0.11 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 -2.87 3.19 0.20 0.54 2.02 -1.26 -4.75 118.70 115.77 12e8 s GLU 148 Ca 0.11 0.91 0.02 0.00 0.02 0.00 0.00 54.97 56.03 12e8 s GLU 148 Cb -0.01 -2.02 0.02 0.00 0.10 0.00 0.00 34.13 32.22 12e8 s GLU 148 CO 0.07 -0.90 0.16 -0.35 0.02 0.00 0.00 175.26 174.27 12e8 n PRO 149 N -2.89 1.16 -4.26 0.39 -0.04 -1.26 -4.98 135.00 123.12 12e8 n PRO 149 Ca 0.07 -1.22 -0.19 0.00 -0.04 0.00 0.00 63.50 62.12 12e8 n PRO 149 Cb 0.54 0.11 -0.11 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.89 1.45 0.07 0.52 -7.23 -1.26 -4.45 120.40 108.60 12e8 s VAL 150 Ca 0.12 -1.70 0.10 0.00 -1.81 0.00 0.00 61.98 58.69 12e8 s VAL 150 Cb -0.01 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 12e8 s VAL 150 CO 0.08 -0.34 -0.26 0.42 -0.31 0.00 0.00 175.10 174.69 12e8 s THR 151 N -1.94 2.21 -0.02 5.32 -4.23 -0.44 -4.96 115.64 111.58 12e8 s THR 151 Ca 0.09 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 12e8 s THR 151 Cb -0.06 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.91 12e8 s THR 151 CO 0.04 0.30 -0.01 0.54 -0.54 0.00 0.00 174.62 174.95 12e8 s VAL 152 N -0.87 0.21 0.33 2.29 0.11 -1.26 -1.43 120.40 119.77 12e8 s VAL 152 Ca 0.12 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 12e8 s VAL 152 Cb -0.10 -0.27 -0.06 0.00 -1.53 0.00 0.00 36.38 34.42 12e8 s VAL 152 CO 0.03 0.13 0.05 0.42 -3.33 0.00 0.00 175.10 172.40 12e8 s THR 153 N 0.74 1.26 -0.10 5.04 -4.23 -0.44 -4.97 115.64 112.95 12e8 s THR 153 Ca -0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 12e8 s THR 153 Cb -0.11 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.95 12e8 s THR 153 CO -0.01 -0.01 -0.14 0.26 -0.54 0.00 0.00 174.62 174.17 12e8 s TRP 154 N -3.24 1.83 -1.47 3.99 0.52 -1.26 -0.42 118.94 118.89 12e8 s TRP 154 Ca 0.36 -0.83 -0.12 0.00 0.02 0.00 0.00 56.10 55.54 12e8 s TRP 154 Cb 0.09 -1.34 0.06 0.00 -1.15 0.00 0.00 33.47 31.13 12e8 s TRP 154 CO 0.16 -0.43 1.04 0.09 0.02 0.00 0.00 176.95 177.82 12e8 n ASN 155 N 4.15 -5.15 -2.37 2.95 4.13 0.47 -1.61 115.26 117.84 12e8 n ASN 155 Ca -0.19 -0.71 -0.19 0.00 1.68 0.00 0.00 54.58 55.17 12e8 n ASN 155 Cb 0.51 -4.25 0.01 0.00 -1.54 0.00 0.00 39.78 34.51 12e8 n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 12e8 n SER 156 N -2.90 -5.52 0.00 6.41 7.64 -1.26 -1.95 113.62 116.04 12e8 n SER 156 Ca 0.02 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.78 12e8 n SER 156 Cb 0.54 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 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 -1.19 0.93 0.22 0.23 0.00 -0.63 -4.92 105.19 99.83 12e8 n GLY 157 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 12e8 n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 12e8 h SER 158 N 0.00 0.47 -3.14 1.61 4.64 -1.27 -3.35 113.55 112.50 12e8 h SER 158 Ca 0.00 -0.19 -0.74 0.00 -0.47 0.00 0.00 61.79 60.39 12e8 h SER 158 Cb 0.00 -0.13 -0.23 0.00 -0.31 0.00 0.00 62.40 61.73 12e8 h SER 158 CO 0.00 0.79 -0.00 -0.76 -0.87 0.00 0.00 176.83 175.99 12e8 s LEU 159 N -8.49 6.00 -0.13 5.97 1.43 -0.96 -4.84 118.68 117.66 12e8 s LEU 159 Ca -0.06 -1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 51.15 12e8 s LEU 159 Cb 0.13 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.02 12e8 s LEU 159 CO 0.80 -0.89 -0.13 -1.54 0.23 0.00 0.00 176.35 174.82 12e8 n SER 160 N 5.39 2.52 -4.79 2.29 3.41 -1.26 -4.18 113.62 117.00 12e8 n SER 160 Ca -0.05 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.19 12e8 n SER 160 Cb 0.43 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 -5.50 6.71 0.00 4.04 1.04 -1.26 -3.54 113.70 115.19 12e8 s SER 161 Ca -0.18 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.22 12e8 s SER 161 Cb 0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.60 12e8 s SER 161 CO 0.29 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.60 12e8 n GLY 162 N 0.13 0.84 3.79 7.32 0.00 -1.26 -4.78 105.19 111.23 12e8 n GLY 162 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.32 4.89 -0.15 1.61 0.11 -1.23 -1.80 120.40 120.51 12e8 s VAL 163 Ca 0.00 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 12e8 s VAL 163 Cb 0.00 -3.15 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 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 -1.05 1.81 -0.26 1.54 3.76 -0.09 -4.98 115.29 116.03 12e8 s HIS 164 Ca 0.17 -1.08 -0.02 0.00 -0.15 0.00 0.00 55.06 53.98 12e8 s HIS 164 Cb -0.12 -1.38 0.03 0.00 1.11 0.00 0.00 32.58 32.22 12e8 s HIS 164 CO 0.07 -0.61 -0.05 0.99 -0.85 0.00 0.00 174.74 174.29 12e8 s THR 165 N 1.60 2.95 0.42 1.30 2.01 -1.26 -0.67 115.64 121.99 12e8 s THR 165 Ca 0.02 -1.04 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 12e8 s THR 165 Cb -0.14 -2.52 -0.11 0.00 0.01 0.00 0.00 72.50 69.74 12e8 s THR 165 CO -0.08 0.16 0.94 -0.36 -0.69 0.00 0.00 174.62 174.59 12e8 s PHE 166 N 1.33 3.33 0.35 4.92 0.08 -0.82 -5.02 117.98 122.14 12e8 s PHE 166 Ca -0.00 1.60 -0.26 0.00 0.12 0.00 0.00 56.93 58.38 12e8 s PHE 166 Cb -0.17 -2.84 -0.13 0.00 -0.57 0.00 0.00 43.02 39.32 12e8 s PHE 166 CO -0.04 -0.08 1.01 -2.30 -0.10 0.00 0.00 175.22 173.71 12e8 n PRO 167 N -0.57 1.39 -2.14 0.24 -0.02 -1.26 -4.53 135.00 128.10 12e8 n PRO 167 Ca 0.07 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 12e8 n PRO 167 Cb 0.54 -1.94 -0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.16 2.86 0.04 3.55 0.00 -1.26 -4.79 121.76 121.01 12e8 s ALA 168 Ca 0.60 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.86 12e8 s ALA 168 Cb -0.63 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 12e8 s ALA 168 CO 0.59 -0.62 -0.06 0.14 0.00 0.00 0.00 175.76 175.81 12e8 s VAL 169 N -2.56 0.40 0.19 0.00 -7.23 -0.64 -4.93 120.40 105.63 12e8 s VAL 169 Ca 0.61 -1.19 -0.24 0.00 -1.81 0.00 0.00 61.98 59.35 12e8 s VAL 169 Cb -0.14 -0.70 -0.08 0.00 0.56 0.00 0.00 36.38 36.02 12e8 s VAL 169 CO 0.36 -0.53 0.79 -0.76 -0.31 0.00 0.00 175.10 174.65 12e8 s LEU 170 N -1.82 4.53 -0.33 1.32 1.43 -1.26 -1.57 118.68 120.97 12e8 s LEU 170 Ca -0.08 1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 12e8 s LEU 170 Cb -0.07 -3.42 0.11 0.00 0.03 0.00 0.00 46.19 42.84 12e8 s LEU 170 CO -0.01 0.15 0.15 -1.10 0.23 0.00 0.00 176.35 175.76 12e8 s GLN 171 N -1.39 0.63 -0.39 1.70 -0.21 0.47 -4.91 119.66 115.57 12e8 s GLN 171 Ca 0.38 -1.12 -0.28 0.00 0.02 0.00 0.00 55.36 54.36 12e8 s GLN 171 Cb -0.22 -1.71 0.04 0.00 1.00 0.00 0.00 33.01 32.13 12e8 s GLN 171 CO 0.25 -1.06 0.55 0.43 -2.12 0.00 0.00 175.29 173.34 12e8 n SER 172 N 4.61 -6.23 0.00 5.90 7.64 -1.26 -2.47 113.62 121.81 12e8 n SER 172 Ca 0.01 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.01 12e8 n SER 172 Cb 0.40 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.04 12e8 n SER 172 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 12e8 n ASP 173 N 0.01 0.00 -4.53 6.43 5.75 -1.26 -4.91 116.55 118.03 12e8 n ASP 173 Ca -0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.45 12e8 n ASP 173 Cb 0.59 -1.14 -0.11 0.00 -1.03 0.00 0.00 41.12 39.43 12e8 n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 12e8 s LEU 174 N 0.00 2.89 0.33 -2.12 1.43 -1.03 -4.84 118.68 115.33 12e8 s LEU 174 Ca 0.00 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 12e8 s LEU 174 Cb 0.00 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 12e8 s LEU 174 CO 0.00 0.20 0.66 -0.31 0.23 0.00 0.00 176.35 177.13 12e8 s TYR 175 N -1.12 3.45 -0.11 0.29 2.02 0.59 -0.40 117.35 122.07 12e8 s TYR 175 Ca 0.19 0.92 -0.10 0.00 -0.37 0.00 0.00 57.07 57.70 12e8 s TYR 175 Cb -0.11 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.16 12e8 s TYR 175 CO 0.11 0.07 0.30 0.99 -1.57 0.00 0.00 175.55 175.45 12e8 s THR 176 N -2.13 -0.00 0.19 -0.71 2.01 -0.61 -0.54 115.64 113.85 12e8 s THR 176 Ca 0.49 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.36 12e8 s THR 176 Cb -0.11 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.99 12e8 s THR 176 CO 0.27 0.00 0.44 -1.48 -0.69 0.00 0.00 174.62 173.16 12e8 s LEU 177 N 0.23 0.41 0.12 4.42 0.05 -0.16 -1.62 118.68 122.13 12e8 s LEU 177 Ca -0.01 -0.69 0.04 0.00 0.05 0.00 0.00 54.13 53.53 12e8 s LEU 177 Cb -0.03 1.77 -0.04 0.00 -2.05 0.00 0.00 46.19 45.85 12e8 s LEU 177 CO -0.00 -1.02 -0.10 -0.44 -0.55 0.00 0.00 176.35 174.24 12e8 s SER 178 N -2.93 1.64 -0.02 1.48 0.01 -1.26 -0.46 113.70 112.15 12e8 s SER 178 Ca 0.14 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.49 12e8 s SER 178 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.24 12e8 s SER 178 CO 0.00 -0.30 -0.06 -0.55 0.41 0.00 0.00 173.24 172.74 12e8 s SER 179 N -2.84 0.83 0.12 2.44 0.15 -0.37 -1.95 113.70 112.08 12e8 s SER 179 Ca 0.12 -0.12 0.10 0.00 0.70 0.00 0.00 55.95 56.74 12e8 s SER 179 Cb 0.00 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 12e8 s SER 179 CO 0.00 0.03 -0.21 -0.94 1.20 0.00 0.00 173.24 173.31 12e8 s SER 180 N 0.29 3.68 0.00 5.45 1.04 0.16 -1.08 113.70 123.24 12e8 s SER 180 Ca -0.03 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.78 12e8 s SER 180 Cb -0.08 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 12e8 s SER 180 CO -0.00 0.18 -0.05 0.54 0.98 0.00 0.00 173.24 174.89 12e8 s VAL 181 N -1.12 0.39 -0.13 5.02 0.11 0.47 -0.91 120.40 124.24 12e8 s VAL 181 Ca 0.17 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 12e8 s VAL 181 Cb -0.10 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 12e8 s VAL 181 CO 0.09 0.01 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.79 12e8 s THR 182 N -0.34 1.80 0.21 5.04 2.01 -0.74 -0.38 115.64 123.24 12e8 s THR 182 Ca -0.00 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.21 12e8 s THR 182 Cb -0.03 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 12e8 s THR 182 CO -0.00 0.50 -0.03 0.68 -0.69 0.00 0.00 174.62 175.08 12e8 s VAL 183 N 0.91 1.08 0.31 3.82 -7.23 -0.40 -4.73 120.40 114.16 12e8 s VAL 183 Ca -0.06 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.77 12e8 s VAL 183 Cb -0.15 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.46 12e8 s VAL 183 CO -0.02 -0.43 1.44 -2.84 -0.31 0.00 0.00 175.10 172.94 12e8 s PRO 184 N -3.83 4.23 0.36 4.82 0.02 -1.26 -1.07 135.00 138.26 12e8 s PRO 184 Ca 0.26 2.39 0.14 0.00 0.02 0.00 0.00 61.00 63.81 12e8 s PRO 184 Cb 0.05 -3.05 1.00 0.00 0.02 0.00 0.00 34.50 32.52 12e8 s PRO 184 CO 0.07 -0.41 1.74 1.03 -0.33 0.00 0.00 177.00 179.09 12e8 h SER 185 N 3.96 0.56 0.82 2.53 0.87 -1.85 -0.30 113.55 120.15 12e8 h SER 185 Ca -0.48 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 12e8 h SER 185 Cb 1.23 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 12e8 h SER 185 CO 0.71 0.08 -0.20 0.77 -0.53 0.00 0.00 176.83 177.65 12e8 h SER 186 N 0.48 0.00 0.66 6.23 4.64 -1.90 -3.12 113.55 120.54 12e8 h SER 186 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 12e8 h SER 186 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 12e8 h SER 186 CO -0.40 0.20 -0.30 0.35 -0.87 0.00 0.00 176.83 175.81 12e8 n THR 187 N -3.42 0.00 -3.91 2.95 -2.24 -0.13 -4.57 114.28 102.96 12e8 n THR 187 Ca -0.00 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 12e8 n THR 187 Cb 0.39 -0.02 -0.17 0.00 -2.10 0.00 0.00 70.33 68.43 12e8 n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 12e8 s TRP 188 N -2.96 0.63 -1.66 4.78 -0.00 -1.18 -1.48 118.94 117.08 12e8 s TRP 188 Ca 0.13 -0.15 0.21 0.00 -0.00 0.00 0.00 56.10 56.29 12e8 s TRP 188 Cb 0.18 -0.70 0.69 0.00 -0.00 0.00 0.00 33.47 33.64 12e8 s TRP 188 CO 0.62 -0.26 1.59 -0.35 -0.00 0.00 0.00 176.95 178.55 12e8 n PRO 189 N 4.68 3.15 0.29 5.86 -0.04 -1.26 -4.83 135.00 142.84 12e8 n PRO 189 Ca -0.15 -2.78 0.14 0.00 -0.04 0.00 0.00 63.50 60.67 12e8 n PRO 189 Cb 0.50 -1.71 0.86 0.00 -0.04 0.00 0.00 33.50 33.11 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 4.29 0.00 -3.47 3.54 4.64 -1.81 -3.39 113.55 117.36 12e8 h SER 190 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 12e8 h SER 190 Cb 1.19 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.95 12e8 h SER 190 CO 0.09 0.03 -0.85 -1.61 -0.87 0.00 0.00 176.83 173.62 12e8 s GLU 191 N -4.56 2.32 0.42 4.77 2.02 -0.55 -5.10 118.70 118.02 12e8 s GLU 191 Ca -0.05 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 12e8 s GLU 191 Cb 0.15 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.45 12e8 s GLU 191 CO 0.56 0.13 1.43 2.41 0.02 0.00 0.00 175.26 179.82 12e8 n THR 192 N 3.57 2.49 -3.83 3.63 -1.04 -1.26 -4.52 114.28 113.32 12e8 n THR 192 Ca -0.20 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.04 12e8 n THR 192 Cb 0.52 -1.85 -0.17 0.00 -1.82 0.00 0.00 70.33 67.01 12e8 n THR 192 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 12e8 s VAL 193 N -1.16 0.81 -0.04 12.58 1.01 -1.26 -4.99 120.40 127.35 12e8 s VAL 193 Ca 0.58 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.19 12e8 s VAL 193 Cb -0.47 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 12e8 s VAL 193 CO 0.60 0.11 -0.18 -0.89 0.00 0.00 0.00 175.10 174.74 12e8 s THR 194 N 1.76 1.45 -0.16 3.92 2.01 -1.26 -0.89 115.64 122.48 12e8 s THR 194 Ca 0.02 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 12e8 s THR 194 Cb -0.15 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 12e8 s THR 194 CO -0.07 0.42 0.16 0.00 -0.69 0.00 0.00 174.62 174.43 12e8 s ASN 196 N -0.17 5.04 -0.12 0.00 -0.87 0.44 -1.59 114.94 117.67 12e8 s ASN 196 Ca 0.12 -0.76 -0.01 0.00 -1.57 0.00 0.00 52.86 50.64 12e8 s ASN 196 Cb -0.12 -1.85 -0.02 0.00 -0.02 0.00 0.00 41.25 39.24 12e8 s ASN 196 CO 0.01 -0.19 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.59 12e8 s VAL 197 N 1.47 3.60 0.00 1.60 1.01 0.13 -1.33 120.40 126.88 12e8 s VAL 197 Ca 0.02 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.57 12e8 s VAL 197 Cb -0.17 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 12e8 s VAL 197 CO 0.02 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 12e8 s ALA 198 N -0.02 1.26 -0.37 5.51 0.00 -0.51 -0.31 121.76 127.32 12e8 s ALA 198 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 12e8 s ALA 198 Cb -0.14 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.82 12e8 s ALA 198 CO 0.03 0.30 0.21 -1.58 0.00 0.00 0.00 175.76 174.71 12e8 s HIS 199 N -0.46 1.08 0.36 0.00 2.46 -0.27 -1.32 115.29 117.13 12e8 s HIS 199 Ca 0.05 -1.80 0.03 0.00 0.47 0.00 0.00 55.06 53.82 12e8 s HIS 199 Cb -0.06 -1.22 0.68 0.00 -0.13 0.00 0.00 32.58 31.85 12e8 s HIS 199 CO -0.00 -0.82 2.01 -1.35 -2.47 0.00 0.00 174.74 172.11 12e8 h PRO 200 N 7.09 0.79 -0.89 2.88 0.11 -1.80 -2.14 132.00 138.03 12e8 h PRO 200 Ca 0.01 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.16 12e8 h PRO 200 Cb 0.96 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.83 12e8 h PRO 200 CO 0.35 0.52 0.58 0.00 -0.21 0.00 0.00 178.00 179.24 12e8 h ALA 201 N 1.62 1.58 -0.51 -0.75 0.00 -1.92 -1.91 119.26 117.36 12e8 h ALA 201 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 12e8 h ALA 201 Cb -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.53 12e8 h ALA 201 CO -0.06 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 12e8 n SER 202 N -4.51 3.54 -3.83 0.00 3.41 -0.96 -4.98 113.62 106.29 12e8 n SER 202 Ca 0.14 -1.97 -0.25 0.00 -0.26 0.00 0.00 58.87 56.54 12e8 n SER 202 Cb 0.26 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.39 -1.65 -4.27 4.04 7.64 -0.72 -4.97 113.62 115.07 12e8 n SER 203 Ca 0.20 -0.87 -0.28 0.00 1.01 0.00 0.00 58.87 58.92 12e8 n SER 203 Cb 0.58 -3.70 -0.15 0.00 -1.01 0.00 0.00 64.21 59.92 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 -3.67 1.84 -0.04 0.44 2.01 -1.03 -5.03 115.64 110.16 12e8 s THR 204 Ca 0.15 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 61.06 12e8 s THR 204 Cb -0.08 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.90 12e8 s THR 204 CO 0.84 0.43 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.62 12e8 s LYS 205 N -0.79 0.77 -0.06 4.92 1.02 -1.26 -1.12 119.74 123.22 12e8 s LYS 205 Ca 0.09 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.01 12e8 s LYS 205 Cb -0.09 -0.80 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 12e8 s LYS 205 CO 0.00 -0.08 -0.08 0.08 -0.92 0.00 0.00 175.35 174.34 12e8 s VAL 206 N 0.92 0.88 -0.18 3.17 1.01 0.58 -5.00 120.40 121.77 12e8 s VAL 206 Ca -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 12e8 s VAL 206 Cb -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 12e8 s VAL 206 CO -0.00 0.31 -0.09 -1.81 0.00 0.00 0.00 175.10 173.51 12e8 s ASP 207 N 0.91 4.13 -0.22 3.32 1.01 -1.26 -0.69 116.67 123.87 12e8 s ASP 207 Ca -0.11 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 12e8 s ASP 207 Cb -0.15 -1.68 0.02 0.00 1.01 0.00 0.00 42.92 42.12 12e8 s ASP 207 CO 0.01 0.05 -0.11 -0.54 0.21 0.00 0.00 175.17 174.79 12e8 s LYS 208 N 1.03 2.97 -0.10 8.23 -0.14 -0.62 -4.97 119.74 126.14 12e8 s LYS 208 Ca -0.00 -0.87 -0.23 0.00 -1.36 0.00 0.00 55.97 53.50 12e8 s LYS 208 Cb -0.15 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 12e8 s LYS 208 CO -0.01 -0.30 0.70 0.21 -0.76 0.00 0.00 175.35 175.19 12e8 s LYS 209 N 1.33 4.38 -0.30 1.68 2.20 -1.26 -1.49 119.74 126.28 12e8 s LYS 209 Ca 0.03 0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 56.22 12e8 s LYS 209 Cb -0.15 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 12e8 s LYS 209 CO -0.07 -0.03 0.90 0.42 -0.36 0.00 0.00 175.35 176.20 12e8 s ILE 210 N 1.15 4.70 0.15 5.43 -1.09 -0.06 -4.99 121.20 126.49 12e8 s ILE 210 Ca 0.36 1.46 0.10 0.00 -2.23 0.00 0.00 60.65 60.34 12e8 s ILE 210 Cb -0.17 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 12e8 s ILE 210 CO 0.16 -0.29 -0.21 0.68 -1.23 0.00 0.00 174.94 174.04 12e8 s VAL 211 N 3.17 2.57 0.49 2.92 -7.23 -1.26 -4.62 120.40 116.43 12e8 s VAL 211 Ca 0.37 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 12e8 s VAL 211 Cb -0.14 -2.20 -0.07 0.00 0.56 0.00 0.00 36.38 34.53 12e8 s VAL 211 CO 0.12 0.01 1.27 -2.65 -0.31 0.00 0.00 175.10 173.54 12e8 n PRO 212 N 0.58 1.74 0.00 4.82 -0.02 -1.26 -4.71 135.00 136.15 12e8 n PRO 212 Ca -0.15 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 12e8 n PRO 212 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.44 0.00 0.00 -0.52 5.12 -1.26 -5.11 116.66 114.45 12e8 n ARG 213 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 12e8 n ARG 213 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 12e8 n ARG 213 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45