#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u20 s LYS 15 N 0.00 4.12 0.68 -1.24 3.01 -1.26 -5.06 119.74 120.00 1u20 s LYS 15 Ca 0.00 1.41 -0.11 0.00 -1.01 0.00 0.00 55.97 56.26 1u20 s LYS 15 Cb 0.00 -2.42 -0.00 0.00 -1.01 0.00 0.00 37.83 34.40 1u20 s LYS 15 CO 0.00 -0.16 1.05 -1.25 0.51 0.00 0.00 175.35 175.51 1u20 s PRO 16 N -2.71 3.07 0.35 -1.68 0.04 -1.26 -5.10 135.00 127.71 1u20 s PRO 16 Ca 0.60 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1u20 s PRO 16 Cb -0.19 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1u20 s PRO 16 CO 0.24 -0.99 0.04 1.03 0.04 0.00 0.00 177.00 177.36 1u20 s ARG 17 N -5.08 1.76 -0.15 4.56 0.52 -1.26 -4.77 118.95 114.52 1u20 s ARG 17 Ca 0.57 -1.98 -0.37 0.00 -0.52 0.00 0.00 55.73 53.43 1u20 s ARG 17 Cb -0.13 -1.12 -0.14 0.00 0.52 0.00 0.00 34.95 34.08 1u20 s ARG 17 CO 0.55 -0.14 1.78 -2.30 0.02 0.00 0.00 175.30 175.21 1u20 n PRO 18 N -0.78 1.68 -3.87 3.54 -0.03 -1.26 -4.83 135.00 129.44 1u20 n PRO 18 Ca -0.03 0.61 -0.11 0.00 -0.03 0.00 0.00 63.50 63.94 1u20 n PRO 18 Cb 0.67 -2.38 -0.09 0.00 -0.03 0.00 0.00 33.50 31.67 1u20 n PRO 18 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 175.50 174.49 1u20 s ARG 19 N 3.54 0.54 0.45 -0.52 1.70 -0.64 -4.99 118.95 119.03 1u20 s ARG 19 Ca 0.94 -0.48 -0.25 0.00 -0.47 0.00 0.00 55.73 55.48 1u20 s ARG 19 Cb -0.87 0.22 -0.08 0.00 -0.57 0.00 0.00 34.95 33.65 1u20 s ARG 19 CO 0.57 -0.13 1.37 1.21 -1.08 0.00 0.00 175.30 177.23 1u20 s ASN 20 N -1.59 5.92 -0.04 -2.89 3.84 -1.26 -0.49 114.94 118.43 1u20 s ASN 20 Ca -0.12 2.78 -0.08 0.00 0.21 0.00 0.00 52.86 55.66 1u20 s ASN 20 Cb -0.06 -2.64 0.01 0.00 -0.55 0.00 0.00 41.25 38.01 1u20 s ASN 20 CO 0.00 -1.13 0.19 -0.63 -2.79 0.00 0.00 177.10 172.74 1u20 s ILE 21 N -1.25 0.04 0.47 -5.21 -1.09 -0.48 -4.77 121.20 108.92 1u20 s ILE 21 Ca 0.62 -0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 58.49 1u20 s ILE 21 Cb -0.41 -0.38 -0.07 0.00 -1.58 0.00 0.00 42.46 40.03 1u20 s ILE 21 CO 0.52 -0.18 1.19 -0.94 -1.23 0.00 0.00 174.94 174.30 1u20 s SER 22 N -0.62 6.03 0.19 3.58 1.04 -1.26 -3.97 113.70 118.69 1u20 s SER 22 Ca -0.07 2.36 -0.12 0.00 0.48 0.00 0.00 55.95 58.60 1u20 s SER 22 Cb -0.04 -2.61 0.20 0.00 0.10 0.00 0.00 66.02 63.67 1u20 s SER 22 CO 0.01 -1.02 1.75 -0.09 0.98 0.00 0.00 173.24 174.88 1u20 h ARG 23 N 1.93 0.38 -0.54 4.02 2.43 -1.97 -1.07 114.38 119.57 1u20 h ARG 23 Ca -0.50 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1u20 h ARG 23 Cb 1.25 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1u20 h ARG 23 CO 0.60 0.25 0.29 1.49 -1.51 0.00 0.00 179.97 181.08 1u20 h GLU 24 N 0.39 0.76 -0.27 0.20 4.57 -1.99 -1.98 114.58 116.25 1u20 h GLU 24 Ca 0.26 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1u20 h GLU 24 Cb 0.27 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1u20 h GLU 24 CO -0.25 0.59 0.09 1.49 -1.18 0.00 0.00 179.01 179.76 1u20 h GLU 25 N 0.72 0.41 -0.81 1.92 4.81 -1.87 -1.65 114.58 118.12 1u20 h GLU 25 Ca 0.19 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1u20 h GLU 25 Cb 0.07 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1u20 h GLU 25 CO -0.03 0.47 0.53 0.66 -0.73 0.00 0.00 179.01 179.91 1u20 h SER 26 N 0.28 0.88 0.68 1.04 4.64 -0.99 -1.60 113.55 118.48 1u20 h SER 26 Ca 0.09 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 1u20 h SER 26 Cb 0.22 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1u20 h SER 26 CO -0.00 0.61 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.76 1u20 h LEU 27 N 1.02 0.06 -4.62 5.97 3.38 -1.23 -3.34 115.31 116.55 1u20 h LEU 27 Ca 0.31 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.77 1u20 h LEU 27 Cb -0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.61 1u20 h LEU 27 CO -0.09 0.78 0.84 0.00 0.09 0.00 0.00 178.44 180.06 1u20 n GLN 28 N -3.68 2.79 -3.66 1.13 6.02 -0.60 -4.87 117.38 114.50 1u20 n GLN 28 Ca -0.01 -2.16 -0.08 0.00 -0.01 0.00 0.00 57.00 54.74 1u20 n GLN 28 Cb 0.72 -2.25 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1u20 n GLN 28 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1u20 s LEU 29 N -1.36 -0.36 0.22 1.08 0.05 -1.25 -4.96 118.68 112.10 1u20 s LEU 29 Ca 0.61 -0.31 0.07 0.00 0.05 0.00 0.00 54.13 54.55 1u20 s LEU 29 Cb 0.31 2.52 -0.05 0.00 -2.05 0.00 0.00 46.19 46.92 1u20 s LEU 29 CO -0.13 -1.07 -0.11 -1.61 -0.55 0.00 0.00 176.35 172.88 1u20 s GLU 30 N -3.67 1.37 0.00 1.48 0.41 -1.26 -4.79 118.70 112.23 1u20 s GLU 30 Ca 0.07 -1.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 1u20 s GLU 30 Cb -0.03 -1.06 0.00 0.00 -1.78 0.00 0.00 34.13 31.26 1u20 s GLU 30 CO -0.02 0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.28 1u20 n GLY 31 N -0.42 1.63 3.63 -1.39 0.00 -1.26 -5.05 105.19 102.33 1u20 n GLY 31 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1u20 n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u20 s TYR 32 N -2.33 3.15 0.28 1.61 1.51 -1.26 -4.93 117.35 115.39 1u20 s TYR 32 Ca 0.00 0.06 -0.21 0.00 -1.01 0.00 0.00 57.07 55.92 1u20 s TYR 32 Cb 0.00 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 1u20 s TYR 32 CO 0.00 0.30 0.80 -1.59 -1.11 0.00 0.00 175.55 173.95 1u20 s LYS 33 N -0.36 4.29 -0.12 -0.62 0.00 -1.07 -4.86 119.74 117.01 1u20 s LYS 33 Ca 0.07 0.97 -0.02 0.00 0.00 0.00 0.00 55.97 57.00 1u20 s LYS 33 Cb -0.12 -2.72 -0.03 0.00 0.00 0.00 0.00 37.83 34.96 1u20 s LYS 33 CO 0.02 0.28 -0.05 -1.01 0.00 0.00 0.00 175.35 174.60 1u20 s HIS 34 N -1.69 3.01 0.03 1.78 3.76 -1.26 0.10 115.29 121.02 1u20 s HIS 34 Ca 0.48 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.30 1u20 s HIS 34 Cb -0.15 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 1u20 s HIS 34 CO 0.20 0.15 -0.13 0.00 -0.85 0.00 0.00 174.74 174.11 1u20 s ALA 35 N -0.19 1.09 -0.07 -1.40 0.00 0.06 0.44 121.76 121.70 1u20 s ALA 35 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1u20 s ALA 35 Cb -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1u20 s ALA 35 CO 0.02 0.21 -0.14 0.00 0.00 0.00 0.00 175.76 175.85 1u20 s HIS 37 N 0.62 0.95 0.01 0.00 3.76 -0.38 -0.76 115.29 119.50 1u20 s HIS 37 Ca -0.15 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 1u20 s HIS 37 Cb -0.16 -0.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.98 1u20 s HIS 37 CO 0.04 -0.04 -0.07 0.00 -0.85 0.00 0.00 174.74 173.82 1u20 s ALA 38 N -2.39 0.53 -0.34 -1.40 0.00 -0.47 -1.08 121.76 116.62 1u20 s ALA 38 Ca 0.03 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1u20 s ALA 38 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1u20 s ALA 38 CO -0.01 0.07 0.43 -1.17 0.00 0.00 0.00 175.76 175.08 1u20 s LEU 39 N -0.69 4.39 -0.15 0.00 2.96 -0.15 -3.90 118.68 121.13 1u20 s LEU 39 Ca -0.02 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1u20 s LEU 39 Cb -0.05 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1u20 s LEU 39 CO 0.00 -0.40 0.11 -0.76 -1.32 0.00 0.00 176.35 173.98 1u20 s LEU 40 N 2.18 4.15 0.16 -0.68 1.43 -1.26 -1.38 118.68 123.28 1u20 s LEU 40 Ca 0.15 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1u20 s LEU 40 Cb -0.16 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1u20 s LEU 40 CO 0.12 0.29 0.38 -1.38 0.23 0.00 0.00 176.35 175.99 1u20 s HIS 41 N -0.30 0.11 -0.09 0.29 -3.43 -1.02 -1.76 115.29 109.09 1u20 s HIS 41 Ca 0.10 -0.47 -0.24 0.00 -0.80 0.00 0.00 55.06 53.65 1u20 s HIS 41 Cb -0.12 0.15 0.06 0.00 -1.43 0.00 0.00 32.58 31.24 1u20 s HIS 41 CO 0.01 -0.78 0.57 0.00 -2.00 0.00 0.00 174.74 172.54 1u20 s ALA 42 N -3.90 -1.45 0.60 -1.38 0.00 -0.68 -0.57 121.76 114.37 1u20 s ALA 42 Ca 0.11 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 1u20 s ALA 42 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1u20 s ALA 42 CO -0.03 -0.32 1.11 -1.25 0.00 0.00 0.00 175.76 175.27 1u20 s PRO 43 N -0.80 3.11 -0.00 0.00 0.04 -1.26 -0.43 135.00 135.66 1u20 s PRO 43 Ca -0.09 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1u20 s PRO 43 Cb -0.02 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1u20 s PRO 43 CO 0.06 -1.01 0.06 0.45 0.04 0.00 0.00 177.00 176.60 1u20 s SER 44 N -2.26 0.06 0.00 6.66 0.15 -0.79 -4.55 113.70 112.96 1u20 s SER 44 Ca 0.69 -0.17 0.23 0.00 0.70 0.00 0.00 55.95 57.39 1u20 s SER 44 Cb -0.21 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1u20 s SER 44 CO 0.34 -0.22 1.09 0.00 1.20 0.00 0.00 173.24 175.65 1u20 n GLN 45 N 2.07 0.74 -1.06 5.44 1.13 -1.26 -3.81 117.38 120.63 1u20 n GLN 45 Ca -0.19 -0.59 -0.34 0.00 -1.94 0.00 0.00 57.00 53.94 1u20 n GLN 45 Cb 0.57 -1.49 0.12 0.00 0.11 0.00 0.00 30.24 29.55 1u20 n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u20 n ALA 46 N -0.62 -0.83 -3.70 -1.58 0.00 -1.26 -4.86 120.51 107.67 1u20 n ALA 46 Ca 0.08 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1u20 n ALA 46 Cb 0.41 -2.09 -0.17 0.00 0.00 0.00 0.00 19.45 17.61 1u20 n ALA 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1u20 s LYS 47 N -3.78 0.44 0.20 0.00 1.02 -1.26 -1.90 119.74 114.45 1u20 s LYS 47 Ca 0.68 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.45 1u20 s LYS 47 Cb -0.29 -0.66 -0.08 0.00 -0.52 0.00 0.00 37.83 36.29 1u20 s LYS 47 CO 0.56 -0.17 1.21 -1.17 -0.92 0.00 0.00 175.35 174.86 1u20 s LEU 48 N 1.29 4.45 -1.42 3.17 2.96 0.19 -2.92 118.68 126.40 1u20 s LEU 48 Ca -0.06 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1u20 s LEU 48 Cb -0.13 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1u20 s LEU 48 CO -0.02 -0.39 0.00 0.49 -1.32 0.00 0.00 176.35 175.11 1u20 n PHE 49 N 2.38 -0.74 -1.09 5.38 0.99 -1.26 -0.73 117.46 122.39 1u20 n PHE 49 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.46 1u20 n PHE 49 Cb 0.44 -2.90 -0.01 0.00 -1.00 0.00 0.00 39.48 36.01 1u20 n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1u20 n ASP 50 N -1.19 -5.45 0.00 4.37 10.43 -1.15 -4.71 116.55 118.85 1u20 n ASP 50 Ca -0.16 0.07 0.00 0.00 2.57 0.00 0.00 54.79 57.28 1u20 n ASP 50 Cb 0.55 -3.22 0.00 0.00 1.84 0.00 0.00 41.12 40.29 1u20 n ASP 50 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 1u20 n ARG 51 N -0.13 2.88 -3.28 -1.24 1.85 -0.37 -4.99 116.66 111.38 1u20 n ARG 51 Ca -0.03 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.38 1u20 n ARG 51 Cb 0.45 -0.53 -0.07 0.00 -1.05 0.00 0.00 32.46 31.26 1u20 n ARG 51 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1u20 s VAL 52 N -0.60 5.07 0.27 8.89 1.01 0.09 -4.89 120.40 130.24 1u20 s VAL 52 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1u20 s VAL 52 Cb 0.00 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 1u20 s VAL 52 CO 0.00 -0.69 1.61 -2.16 0.00 0.00 0.00 175.10 173.86 1u20 s PRO 53 N 2.08 4.13 0.18 2.72 0.04 -1.26 0.54 135.00 143.43 1u20 s PRO 53 Ca 0.09 2.57 -0.05 0.00 0.04 0.00 0.00 61.00 63.65 1u20 s PRO 53 Cb -0.22 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.35 1u20 s PRO 53 CO 0.09 -0.64 1.49 0.82 0.04 0.00 0.00 177.00 178.80 1u20 h ILE 54 N 3.47 1.31 0.00 0.56 1.08 -1.68 -3.44 117.51 118.82 1u20 h ILE 54 Ca -0.46 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1u20 h ILE 54 Cb 1.22 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1u20 h ILE 54 CO 0.82 0.55 0.00 0.54 -0.69 0.00 0.00 178.15 179.37 1u20 n ARG 55 N -3.98 0.00 -3.63 2.37 1.74 -1.25 -4.68 116.66 107.23 1u20 n ARG 55 Ca -0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.90 1u20 n ARG 55 Cb 0.60 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.96 1u20 n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1u20 s ARG 56 N 0.00 0.81 -0.33 5.56 3.52 -1.26 -1.89 118.95 125.36 1u20 s ARG 56 Ca 0.00 0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 56.06 1u20 s ARG 56 Cb 0.00 0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 1u20 s ARG 56 CO 0.00 -0.16 0.38 0.08 -0.81 0.00 0.00 175.30 174.79 1u20 s VAL 57 N -0.22 5.16 -0.18 7.11 1.01 0.42 -4.87 120.40 128.84 1u20 s VAL 57 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1u20 s VAL 57 Cb -0.03 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1u20 s VAL 57 CO 0.04 -0.05 -0.12 -0.76 0.00 0.00 0.00 175.10 174.21 1u20 s LEU 58 N 2.06 2.61 -0.06 3.92 1.02 -1.26 -1.69 118.68 125.29 1u20 s LEU 58 Ca 0.13 -0.44 -0.21 0.00 0.02 0.00 0.00 54.13 53.63 1u20 s LEU 58 Cb -0.16 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 1u20 s LEU 58 CO 0.11 0.05 0.59 -0.76 0.02 0.00 0.00 176.35 176.37 1u20 s LEU 59 N 1.02 4.35 0.00 1.79 1.43 -0.72 -1.58 118.68 124.96 1u20 s LEU 59 Ca -0.01 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 1u20 s LEU 59 Cb -0.15 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1u20 s LEU 59 CO -0.02 0.00 0.14 0.23 0.23 0.00 0.00 176.35 176.93 1u20 n MET 60 N 3.32 0.50 -3.75 1.70 2.81 -0.41 -4.50 117.12 116.80 1u20 n MET 60 Ca -0.05 -2.24 -0.10 0.00 -1.81 0.00 0.00 57.70 53.50 1u20 n MET 60 Cb 0.51 1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 34.46 1u20 n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u20 s MET 61 N -2.96 1.06 -0.12 0.03 0.23 -0.29 -0.85 119.30 116.40 1u20 s MET 61 Ca 0.19 -0.86 -0.20 0.00 -1.03 0.00 0.00 55.69 53.79 1u20 s MET 61 Cb 0.01 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 1u20 s MET 61 CO 0.14 -0.40 0.57 1.41 -2.03 0.00 0.00 175.02 174.70 1u20 s MET 62 N -3.85 4.34 0.51 3.16 -2.45 0.10 -1.40 119.30 119.71 1u20 s MET 62 Ca 0.06 0.60 -0.02 0.00 -1.25 0.00 0.00 55.69 55.09 1u20 s MET 62 Cb 0.02 -3.47 0.01 0.00 1.25 0.00 0.00 34.83 32.65 1u20 s MET 62 CO -0.09 0.06 0.76 1.03 1.05 0.00 0.00 175.02 177.83 1u20 s ARG 63 N 0.90 2.93 0.56 4.11 0.52 0.70 -0.70 118.95 127.96 1u20 s ARG 63 Ca 0.30 -0.38 0.27 0.00 -0.52 0.00 0.00 55.73 55.40 1u20 s ARG 63 Cb -0.16 -2.46 1.48 0.00 0.52 0.00 0.00 34.95 34.33 1u20 s ARG 63 CO 0.13 -0.48 1.99 0.27 0.02 0.00 0.00 175.30 177.23 1u20 h PHE 64 N 0.16 0.00 -0.40 -0.53 -0.00 -1.47 -0.50 116.94 114.20 1u20 h PHE 64 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1u20 h PHE 64 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 1u20 h PHE 64 CO 0.44 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 178.35 1u20 n ASP 65 N -4.06 2.27 0.00 -0.68 3.85 -1.26 -4.89 116.55 111.78 1u20 n ASP 65 Ca 0.08 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 1u20 n ASP 65 Cb 0.57 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 1u20 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u20 n GLY 66 N 1.09 0.58 3.63 6.12 0.00 -0.20 -5.03 105.19 111.38 1u20 n GLY 66 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1u20 n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u20 s ARG 67 N -0.03 2.27 0.31 1.61 0.52 -1.26 -4.87 118.95 117.51 1u20 s ARG 67 Ca 0.00 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 53.76 1u20 s ARG 67 Cb 0.00 -2.23 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 1u20 s ARG 67 CO 0.00 0.42 0.81 -0.51 0.02 0.00 0.00 175.30 176.03 1u20 s LEU 68 N -3.18 4.17 0.31 2.53 1.43 0.92 -0.22 118.68 124.64 1u20 s LEU 68 Ca 0.28 1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 1u20 s LEU 68 Cb -0.08 -4.01 0.06 0.00 0.03 0.00 0.00 46.19 42.19 1u20 s LEU 68 CO 0.18 -0.14 0.88 -0.83 0.23 0.00 0.00 176.35 176.67 1u20 s GLY 69 N -1.96 0.28 0.07 -3.19 0.00 -0.49 -1.09 107.32 100.94 1u20 s GLY 69 Ca 0.52 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 1u20 s GLY 69 CO 0.19 0.72 0.31 -1.36 0.00 0.00 0.00 173.10 172.95 1u20 s PHE 70 N -2.24 3.53 0.66 1.90 0.40 -1.26 -1.14 117.98 119.83 1u20 s PHE 70 Ca 0.18 0.53 -0.18 0.00 -0.60 0.00 0.00 56.93 56.87 1u20 s PHE 70 Cb -0.04 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 1u20 s PHE 70 CO 0.09 0.54 1.27 -1.25 0.70 0.00 0.00 175.22 176.57 1u20 s PRO 71 N -2.21 2.50 0.00 0.24 0.04 -1.25 -4.71 135.00 129.61 1u20 s PRO 71 Ca 0.34 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1u20 s PRO 71 Cb -0.13 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1u20 s PRO 71 CO 0.21 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1u20 n GLY 72 N 0.79 0.88 0.00 0.56 0.00 -1.26 -1.36 105.19 104.80 1u20 n GLY 72 Ca 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1u20 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u20 n GLY 73 N 0.00 -1.06 3.77 -0.02 0.00 0.06 -4.85 105.19 103.09 1u20 n GLY 73 Ca 0.00 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1u20 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u20 s PHE 74 N -3.00 2.87 -0.03 1.61 0.08 -1.26 -0.68 117.98 117.57 1u20 s PHE 74 Ca 0.00 1.37 0.02 0.00 0.12 0.00 0.00 56.93 58.44 1u20 s PHE 74 Cb 0.00 -3.74 0.01 0.00 -0.57 0.00 0.00 43.02 38.72 1u20 s PHE 74 CO 0.00 -2.15 -0.08 0.08 -0.10 0.00 0.00 175.22 172.97 1u20 s VAL 75 N -1.19 0.72 -0.36 -0.44 1.01 0.17 -4.86 120.40 115.45 1u20 s VAL 75 Ca 0.53 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 1u20 s VAL 75 Cb -0.40 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1u20 s VAL 75 CO 0.53 0.24 0.93 -0.62 0.00 0.00 0.00 175.10 176.18 1u20 s ASP 76 N 0.41 6.70 0.53 3.32 3.68 -1.26 -4.09 116.67 125.96 1u20 s ASP 76 Ca -0.06 0.62 0.30 0.00 2.13 0.00 0.00 52.55 55.53 1u20 s ASP 76 Cb -0.10 -2.47 1.46 0.00 -1.45 0.00 0.00 42.92 40.36 1u20 s ASP 76 CO 0.01 -0.85 2.05 0.74 0.13 0.00 0.00 175.17 177.24 1u20 h THR 77 N 5.81 0.39 0.25 1.71 2.02 -1.94 -3.10 112.91 118.06 1u20 h THR 77 Ca -0.23 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1u20 h THR 77 Cb 1.08 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1u20 h THR 77 CO 0.98 0.10 -0.12 0.03 0.37 0.00 0.00 175.52 176.88 1u20 h ARG 78 N 0.00 -0.33 0.00 6.66 3.08 -2.00 -3.42 114.38 118.38 1u20 h ARG 78 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1u20 h ARG 78 Cb 0.40 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1u20 h ARG 78 CO 0.01 0.02 0.00 -0.25 -1.07 0.00 0.00 179.97 178.68 1u20 n ASP 79 N -5.01 0.00 -4.28 7.04 9.92 -1.17 -4.92 116.55 118.13 1u20 n ASP 79 Ca -0.08 0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 54.69 1u20 n ASP 79 Cb 0.25 -0.30 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 1u20 n ASP 79 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1u20 n ILE 80 N -1.54 0.00 -1.34 0.53 -5.35 -1.22 -5.14 119.36 105.29 1u20 n ILE 80 Ca 0.00 -2.27 -0.30 0.00 -0.27 0.00 0.00 62.75 59.92 1u20 n ILE 80 Cb 0.00 0.57 0.12 0.00 -1.74 0.00 0.00 39.64 38.59 1u20 n ILE 80 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1u20 s SER 81 N -3.56 3.84 0.22 7.28 1.04 -1.26 -4.56 113.70 116.69 1u20 s SER 81 Ca 0.07 1.40 -0.09 0.00 0.48 0.00 0.00 55.95 57.81 1u20 s SER 81 Cb 0.00 -2.10 0.26 0.00 0.10 0.00 0.00 66.02 64.29 1u20 s SER 81 CO 0.05 -2.40 1.81 -0.07 0.98 0.00 0.00 173.24 173.61 1u20 h LEU 82 N -1.38 0.58 -0.39 2.42 3.38 -1.93 0.28 115.31 118.26 1u20 h LEU 82 Ca -0.49 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1u20 h LEU 82 Cb 1.28 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1u20 h LEU 82 CO 0.57 0.37 0.18 -0.33 0.09 0.00 0.00 178.44 179.31 1u20 h GLU 83 N 0.71 0.35 -0.18 1.13 3.07 -1.92 -1.66 114.58 116.08 1u20 h GLU 83 Ca 0.31 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 1u20 h GLU 83 Cb 0.20 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1u20 h GLU 83 CO -0.19 0.23 0.03 1.49 -1.40 0.00 0.00 179.01 179.18 1u20 h GLU 84 N 0.36 0.30 -0.67 2.33 4.57 -1.73 -2.20 114.58 117.53 1u20 h GLU 84 Ca 0.17 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1u20 h GLU 84 Cb 0.11 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1u20 h GLU 84 CO -0.14 0.46 0.42 0.78 -1.18 0.00 0.00 179.01 179.35 1u20 h GLY 85 N 0.09 0.96 0.74 1.92 0.00 -0.88 -2.24 103.07 103.65 1u20 h GLY 85 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1u20 h GLY 85 CO 0.00 0.28 -0.26 -2.00 0.00 0.00 0.00 176.54 174.57 1u20 h LEU 86 N 0.83 -0.68 -1.17 3.11 5.85 -1.18 -1.94 115.31 120.13 1u20 h LEU 86 Ca 0.26 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.15 1u20 h LEU 86 Cb -0.00 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1u20 h LEU 86 CO -0.10 -0.38 0.59 0.11 -0.34 0.00 0.00 178.44 178.32 1u20 h LYS 87 N -0.56 0.85 -0.08 1.25 1.79 -1.25 0.16 116.57 118.73 1u20 h LYS 87 Ca -0.01 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1u20 h LYS 87 Cb 0.51 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1u20 h LYS 87 CO -0.04 0.57 0.03 0.07 -1.08 0.00 0.00 179.45 179.00 1u20 h ARG 88 N 0.88 0.12 -0.57 3.15 -0.00 -1.21 -2.20 114.38 114.54 1u20 h ARG 88 Ca 0.44 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.98 60.32 1u20 h ARG 88 Cb 0.48 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.41 1u20 h ARG 88 CO -0.20 0.25 0.06 1.49 -0.00 0.00 0.00 179.97 181.56 1u20 h GLU 89 N -0.04 0.95 -0.61 0.08 4.57 -0.49 -1.96 114.58 117.08 1u20 h GLU 89 Ca 0.03 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 57.98 1u20 h GLU 89 Cb 0.18 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1u20 h GLU 89 CO -0.00 0.90 0.40 -0.07 -1.18 0.00 0.00 179.01 179.06 1u20 h LEU 90 N 0.89 0.64 -0.23 1.64 3.38 -0.68 -1.99 115.31 118.96 1u20 h LEU 90 Ca 0.17 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1u20 h LEU 90 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1u20 h LEU 90 CO 0.02 0.45 -0.27 -0.08 0.09 0.00 0.00 178.44 178.65 1u20 h GLU 91 N 0.75 0.59 -0.30 1.13 4.81 -0.71 0.18 114.58 121.03 1u20 h GLU 91 Ca 0.24 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1u20 h GLU 91 Cb 0.03 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1u20 h GLU 91 CO -0.06 0.93 0.05 0.93 -0.73 0.00 0.00 179.01 180.13 1u20 h GLU 92 N 0.29 0.43 0.13 1.92 5.08 -1.24 0.13 114.58 121.33 1u20 h GLU 92 Ca 0.03 -0.07 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 1u20 h GLU 92 Cb 0.83 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1u20 h GLU 92 CO 0.06 0.42 -1.63 0.93 -1.00 0.00 0.00 179.01 177.79 1u20 h GLU 93 N 0.43 0.28 0.00 2.33 5.08 -1.14 -1.71 114.58 119.85 1u20 h GLU 93 Ca 0.10 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1u20 h GLU 93 Cb 0.20 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1u20 h GLU 93 CO -0.00 1.15 -1.40 1.28 -1.00 0.00 0.00 179.01 179.04 1u20 n LEU 94 N -3.47 0.02 0.00 1.33 4.77 0.60 -4.69 117.00 115.55 1u20 n LEU 94 Ca -0.20 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1u20 n LEU 94 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1u20 n LEU 94 CO 0.50 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1u20 n GLY 95 N 1.93 1.38 0.27 -0.72 0.00 0.46 -3.14 105.19 105.37 1u20 n GLY 95 Ca -0.02 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.97 1u20 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u20 h PRO 96 N 0.00 0.00 -1.13 1.61 0.13 -1.90 -2.58 132.00 128.13 1u20 h PRO 96 Ca 0.00 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.46 1u20 h PRO 96 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1u20 h PRO 96 CO 0.00 0.04 0.81 0.00 -0.23 0.00 0.00 178.00 178.62 1u20 h ALA 97 N 1.96 3.03 0.00 -0.56 0.00 -1.94 -0.22 119.26 121.53 1u20 h ALA 97 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1u20 h ALA 97 Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u20 h ALA 97 CO 0.01 -1.36 -0.20 -0.07 0.00 0.00 0.00 179.25 177.63 1u20 h LEU 98 N 0.02 0.00 -1.30 0.00 -0.00 -1.81 -3.01 115.31 109.22 1u20 h LEU 98 Ca 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.58 1u20 h LEU 98 Cb 2.13 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.72 1u20 h LEU 98 CO -0.03 0.20 0.58 0.00 -0.00 0.00 0.00 178.44 179.19 1u20 h ALA 99 N 1.80 1.87 0.00 1.53 0.00 -1.25 -0.38 119.26 122.82 1u20 h ALA 99 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u20 h ALA 99 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1u20 h ALA 99 CO 0.03 -0.12 -0.13 0.25 0.00 0.00 0.00 179.25 179.28 1u20 n THR 100 N -4.57 0.14 -2.55 0.00 -2.24 -1.14 -4.85 114.28 99.09 1u20 n THR 100 Ca 0.18 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1u20 n THR 100 Cb 0.50 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1u20 n THR 100 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1u20 s VAL 101 N -3.03 4.40 0.00 2.28 1.01 -0.15 -5.01 120.40 119.90 1u20 s VAL 101 Ca 0.12 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1u20 s VAL 101 Cb 0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1u20 s VAL 101 CO 0.59 0.13 0.22 -1.84 0.00 0.00 0.00 175.10 174.19 1u20 n GLU 102 N 3.94 0.00 -2.25 2.72 -0.00 -1.26 -5.03 120.64 118.76 1u20 n GLU 102 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 57.16 57.25 1u20 n GLU 102 Cb 0.48 -0.72 -0.01 0.00 -0.00 0.00 0.00 31.44 31.20 1u20 n GLU 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1u20 n VAL 103 N -0.24 -8.68 -4.04 3.84 0.31 -1.26 -5.01 118.33 103.25 1u20 n VAL 103 Ca 0.00 1.36 -0.13 0.00 -0.01 0.00 0.00 64.34 65.56 1u20 n VAL 103 Cb 0.00 -5.75 -0.02 0.00 -0.91 0.00 0.00 33.84 27.16 1u20 n VAL 103 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1u20 n THR 104 N 0.63 0.00 0.29 2.52 -2.24 -1.26 -4.85 114.28 109.37 1u20 n THR 104 Ca -0.08 -0.99 0.15 0.00 -2.27 0.00 0.00 64.05 60.86 1u20 n THR 104 Cb 0.12 -0.01 0.87 0.00 -2.10 0.00 0.00 70.33 69.21 1u20 n THR 104 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1u20 h GLU 105 N 0.00 0.00 0.00 -0.78 9.09 -1.99 -1.33 114.58 119.58 1u20 h GLU 105 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1u20 h GLU 105 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1u20 h GLU 105 CO 0.27 0.04 0.00 -0.44 0.05 0.00 0.00 179.01 178.93 1u20 h ASP 106 N 0.00 0.00 0.55 3.06 3.32 -1.99 -1.71 116.42 119.65 1u20 h ASP 106 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u20 h ASP 106 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1u20 h ASP 106 CO 0.00 0.00 -0.67 0.47 -1.72 0.00 0.00 179.24 177.32 1u20 n ASP 107 N -2.92 0.60 -4.77 6.45 10.43 -0.50 -4.92 116.55 120.93 1u20 n ASP 107 Ca -0.00 -0.18 -0.38 0.00 2.57 0.00 0.00 54.79 56.79 1u20 n ASP 107 Cb 0.22 0.38 -0.00 0.00 1.84 0.00 0.00 41.12 43.56 1u20 n ASP 107 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1u20 s TYR 108 N -3.09 2.81 0.00 1.24 6.14 -0.65 -1.24 117.35 122.57 1u20 s TYR 108 Ca 0.08 1.46 0.00 0.00 0.64 0.00 0.00 57.07 59.25 1u20 s TYR 108 Cb 0.16 -3.56 0.00 0.00 0.42 0.00 0.00 41.96 38.97 1u20 s TYR 108 CO 0.74 -1.91 0.00 0.54 0.64 0.00 0.00 175.55 175.56 1u20 n ARG 109 N -0.18 0.00 -3.71 4.97 3.00 -0.36 -4.86 116.66 115.52 1u20 n ARG 109 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.84 1u20 n ARG 109 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 32.46 32.62 1u20 n ARG 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1u20 s SER 110 N -4.98 -0.25 0.00 0.55 1.04 -1.07 -5.01 113.70 103.99 1u20 s SER 110 Ca 0.00 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1u20 s SER 110 Cb 0.00 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1u20 s SER 110 CO 0.00 -0.95 -0.06 -0.44 0.98 0.00 0.00 173.24 172.78 1u20 s SER 111 N -2.86 0.65 -0.05 7.02 0.01 -1.25 -0.53 113.70 116.69 1u20 s SER 111 Ca 0.10 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.25 1u20 s SER 111 Cb -0.02 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.15 1u20 s SER 111 CO 0.00 0.03 -0.17 -1.58 0.41 0.00 0.00 173.24 171.93 1u20 s GLN 112 N -0.32 1.82 -0.02 12.44 0.74 -0.43 -1.38 119.66 132.51 1u20 s GLN 112 Ca 0.00 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 1u20 s GLN 112 Cb -0.03 -1.57 -0.04 0.00 1.10 0.00 0.00 33.01 32.47 1u20 s GLN 112 CO -0.00 0.23 0.07 0.14 -0.55 0.00 0.00 175.29 175.18 1u20 s VAL 113 N 0.07 4.69 0.04 1.34 -7.23 0.36 -1.02 120.40 118.64 1u20 s VAL 113 Ca -0.05 -0.38 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1u20 s VAL 113 Cb -0.12 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 33.69 1u20 s VAL 113 CO 0.02 0.39 0.10 -0.60 -0.31 0.00 0.00 175.10 174.71 1u20 s ARG 114 N -1.61 0.60 0.00 4.82 3.52 -0.36 -1.61 118.95 124.30 1u20 s ARG 114 Ca 0.21 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 1u20 s ARG 114 Cb -0.12 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1u20 s ARG 114 CO 0.12 -0.15 0.00 0.39 -0.81 0.00 0.00 175.30 174.85 1u20 n GLU 115 N 0.74 2.41 -1.53 5.12 4.71 -1.26 -1.21 120.64 129.61 1u20 n GLU 115 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.58 1u20 n GLU 115 Cb 0.59 -0.81 -0.08 0.00 -1.01 0.00 0.00 31.44 30.13 1u20 n GLU 115 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1u20 n HIS 116 N -1.26 1.07 -2.86 -0.32 -0.00 -1.26 -2.08 115.22 108.52 1u20 n HIS 116 Ca 0.00 0.23 -0.19 0.00 -0.00 0.00 0.00 57.72 57.77 1u20 n HIS 116 Cb 0.20 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.67 1u20 n HIS 116 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1u20 n PRO 117 N 8.78 -3.09 0.20 -0.41 -0.06 -1.26 -4.62 135.00 134.54 1u20 n PRO 117 Ca 0.49 0.65 0.00 0.00 -0.06 0.00 0.00 63.50 64.58 1u20 n PRO 117 Cb 0.32 -5.34 0.00 0.00 -0.06 0.00 0.00 33.50 28.42 1u20 n PRO 117 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 175.50 175.44 1u20 n GLN 118 N -3.37 0.00 -2.47 0.54 10.64 -0.88 -5.09 117.38 116.75 1u20 n GLN 118 Ca -0.10 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.04 1u20 n GLN 118 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.98 1u20 n GLN 118 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1u20 n LYS 119 N -3.33 -1.22 -4.01 2.61 4.76 -1.10 -4.89 118.16 110.98 1u20 n LYS 119 Ca 0.00 1.37 -0.11 0.00 -2.87 0.00 0.00 58.31 56.70 1u20 n LYS 119 Cb 0.00 -4.31 -0.12 0.00 -1.84 0.00 0.00 35.03 28.77 1u20 n LYS 119 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u20 s VAL 121 N -1.21 3.53 -0.20 0.00 1.01 0.12 -1.23 120.40 122.42 1u20 s VAL 121 Ca -0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1u20 s VAL 121 Cb -0.09 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1u20 s VAL 121 CO -0.00 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.62 1u20 s THR 122 N 0.82 3.40 -0.21 3.92 2.01 -0.19 -0.76 115.64 124.63 1u20 s THR 122 Ca -0.02 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1u20 s THR 122 Cb -0.15 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1u20 s THR 122 CO 0.01 0.45 0.08 -1.00 -0.69 0.00 0.00 174.62 173.47 1u20 s HIS 123 N 1.18 3.21 -0.16 4.92 3.76 0.82 -1.31 115.29 127.70 1u20 s HIS 123 Ca 0.02 -0.03 -0.05 0.00 -0.15 0.00 0.00 55.06 54.85 1u20 s HIS 123 Cb -0.14 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 1u20 s HIS 123 CO -0.01 0.01 0.01 0.12 -0.85 0.00 0.00 174.74 174.02 1u20 s PHE 124 N 0.77 3.12 0.16 1.40 5.99 0.31 -1.24 117.98 128.50 1u20 s PHE 124 Ca 0.04 -0.13 0.11 0.00 0.00 0.00 0.00 56.93 56.95 1u20 s PHE 124 Cb -0.13 -2.00 -0.04 0.00 0.00 0.00 0.00 43.02 40.84 1u20 s PHE 124 CO 0.02 0.06 -0.25 0.71 -0.00 0.00 0.00 175.22 175.76 1u20 s TYR 125 N 0.33 2.32 -0.05 10.12 1.51 -0.24 -1.22 117.35 130.12 1u20 s TYR 125 Ca -0.01 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1u20 s TYR 125 Cb -0.13 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1u20 s TYR 125 CO 0.02 0.43 -0.06 0.42 -1.11 0.00 0.00 175.55 175.25 1u20 s ILE 126 N -1.40 0.67 -0.07 2.71 1.01 -0.37 -0.98 121.20 122.76 1u20 s ILE 126 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1u20 s ILE 126 Cb -0.09 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.76 1u20 s ILE 126 CO 0.08 0.25 0.14 -0.75 0.00 0.00 0.00 174.94 174.67 1u20 s LYS 127 N 0.81 0.05 0.15 2.79 2.20 -0.48 -4.60 119.74 120.66 1u20 s LYS 127 Ca -0.12 0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 55.65 1u20 s LYS 127 Cb -0.15 -0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 35.86 1u20 s LYS 127 CO 0.01 -0.24 0.90 -2.00 -0.36 0.00 0.00 175.35 173.67 1u20 s GLU 128 N 1.70 4.70 0.37 4.03 2.12 -1.26 -2.44 118.70 127.93 1u20 s GLU 128 Ca -0.03 1.37 0.03 0.00 0.36 0.00 0.00 54.97 56.70 1u20 s GLU 128 Cb -0.12 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1u20 s GLU 128 CO -0.06 0.37 0.09 -0.51 -0.54 0.00 0.00 175.26 174.62 1u20 s LEU 129 N -0.55 2.08 0.47 2.70 1.43 0.26 -4.93 118.68 120.14 1u20 s LEU 129 Ca 0.42 -1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 51.79 1u20 s LEU 129 Cb -0.24 -0.26 -0.09 0.00 0.03 0.00 0.00 46.19 45.64 1u20 s LEU 129 CO 0.29 -0.77 1.04 -0.54 0.23 0.00 0.00 176.35 176.59 1u20 s LYS 130 N -3.82 3.87 0.23 1.70 1.02 -1.26 -4.27 119.74 117.21 1u20 s LYS 130 Ca 0.29 1.38 -0.07 0.00 0.02 0.00 0.00 55.97 57.59 1u20 s LYS 130 Cb 0.05 -2.16 0.37 0.00 -0.52 0.00 0.00 37.83 35.57 1u20 s LYS 130 CO 0.14 -0.38 1.71 1.25 -0.92 0.00 0.00 175.35 177.16 1u20 h LEU 131 N 1.71 0.12 -1.48 3.17 6.46 -1.91 -0.59 115.31 122.79 1u20 h LEU 131 Ca -0.49 0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1u20 h LEU 131 Cb 1.22 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1u20 h LEU 131 CO 0.60 0.05 -0.26 1.05 -0.62 0.00 0.00 178.44 179.26 1u20 h GLU 132 N 0.34 0.00 -0.31 1.25 9.09 -1.95 0.36 114.58 123.36 1u20 h GLU 132 Ca 0.36 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.71 1u20 h GLU 132 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1u20 h GLU 132 CO -0.41 0.26 -0.04 0.93 0.05 0.00 0.00 179.01 179.80 1u20 h GLU 133 N 0.00 0.57 -0.36 1.06 5.08 -1.51 0.39 114.58 119.80 1u20 h GLU 133 Ca -0.00 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1u20 h GLU 133 Cb 0.54 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1u20 h GLU 133 CO 0.03 0.74 0.20 0.82 -1.00 0.00 0.00 179.01 179.80 1u20 h ILE 134 N 0.35 1.02 -0.72 3.13 1.08 -0.60 -0.83 117.51 120.94 1u20 h ILE 134 Ca 0.08 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1u20 h ILE 134 Cb 0.51 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1u20 h ILE 134 CO 0.02 0.07 0.45 -0.33 -0.69 0.00 0.00 178.15 177.68 1u20 h GLU 135 N 0.41 0.96 -0.25 2.37 5.08 -0.81 -0.74 114.58 121.60 1u20 h GLU 135 Ca 0.15 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1u20 h GLU 135 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1u20 h GLU 135 CO -0.08 0.66 0.15 -0.09 -1.00 0.00 0.00 179.01 178.65 1u20 h ARG 136 N 0.98 0.29 -0.69 2.33 2.43 -0.59 -1.52 114.38 117.61 1u20 h ARG 136 Ca 0.26 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1u20 h ARG 136 Cb -0.07 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 1u20 h ARG 136 CO -0.05 0.19 0.41 0.82 -1.51 0.00 0.00 179.97 179.83 1u20 h ILE 137 N 0.30 1.04 -0.52 1.20 2.04 -0.58 -0.45 117.51 120.53 1u20 h ILE 137 Ca 0.10 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1u20 h ILE 137 Cb -0.01 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1u20 h ILE 137 CO -0.04 0.14 0.33 -0.33 0.00 0.00 0.00 178.15 178.26 1u20 h GLU 138 N 0.78 0.66 -0.62 2.37 5.08 -0.78 0.28 114.58 122.36 1u20 h GLU 138 Ca 0.29 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1u20 h GLU 138 Cb 0.10 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1u20 h GLU 138 CO -0.14 0.44 0.29 0.00 -1.00 0.00 0.00 179.01 178.59 1u20 h ALA 139 N 1.20 0.79 0.00 3.43 0.00 -0.70 -2.90 119.26 121.08 1u20 h ALA 139 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u20 h ALA 139 Cb -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1u20 h ALA 139 CO -0.05 0.37 -0.09 0.93 0.00 0.00 0.00 179.25 180.41 1u20 h GLU 140 N 0.85 0.00 -0.07 0.00 5.08 -0.65 -3.31 114.58 116.47 1u20 h GLU 140 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1u20 h GLU 140 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1u20 h GLU 140 CO -0.02 0.00 0.05 0.00 -1.00 0.00 0.00 179.01 178.03 1u20 h ALA 141 N 2.32 1.96 0.00 3.43 0.00 -0.23 -1.23 119.26 125.51 1u20 h ALA 141 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u20 h ALA 141 Cb 0.84 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1u20 h ALA 141 CO 0.00 0.04 -0.01 -0.39 0.00 0.00 0.00 179.25 178.89 1u20 h VAL 142 N 0.09 0.03 -0.39 0.00 -1.51 -1.70 -2.27 116.25 110.49 1u20 h VAL 142 Ca 0.03 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1u20 h VAL 142 Cb -0.00 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1u20 h VAL 142 CO -0.01 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1u20 n ASN 143 N -3.11 3.06 -4.75 4.19 3.02 -0.48 -4.86 115.26 112.34 1u20 n ASN 143 Ca -0.01 -2.01 -0.34 0.00 -0.03 0.00 0.00 54.58 52.19 1u20 n ASN 143 Cb 0.22 -0.27 0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1u20 n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u20 s ALA 144 N -1.02 2.34 0.25 5.41 0.00 -0.86 -4.94 121.76 122.94 1u20 s ALA 144 Ca 0.26 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 1u20 s ALA 144 Cb 0.14 -3.40 0.45 0.00 0.00 0.00 0.00 23.12 20.31 1u20 s ALA 144 CO 0.18 -1.49 1.78 -0.22 0.00 0.00 0.00 175.76 176.01 1u20 h LYS 145 N 0.05 0.64 -0.00 0.00 1.63 -1.83 -2.44 116.57 114.63 1u20 h LYS 145 Ca -0.48 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1u20 h LYS 145 Cb 1.27 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1u20 h LYS 145 CO 0.52 0.42 -0.03 -0.25 -3.45 0.00 0.00 179.45 176.67 1u20 n ASP 146 N -4.84 0.17 -4.71 4.20 8.00 -0.65 -4.84 116.55 113.88 1u20 n ASP 146 Ca 0.15 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 1u20 n ASP 146 Cb 0.35 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1u20 n ASP 146 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1u20 s HIS 147 N -2.37 2.73 0.00 1.24 2.46 -0.92 -1.17 115.29 117.26 1u20 s HIS 147 Ca 0.34 0.42 0.00 0.00 0.47 0.00 0.00 55.06 56.29 1u20 s HIS 147 Cb 0.21 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 1u20 s HIS 147 CO 0.43 -3.84 0.00 0.41 -2.47 0.00 0.00 174.74 169.28 1u20 n GLY 148 N 3.91 0.83 0.00 1.59 0.00 0.70 -4.88 105.19 107.35 1u20 n GLY 148 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1u20 n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u20 n LEU 149 N 0.00 0.00 0.25 0.99 4.77 -0.31 -4.91 117.00 117.78 1u20 n LEU 149 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1u20 n LEU 149 Cb 0.00 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.68 1u20 n LEU 149 CO 0.00 0.00 0.99 -0.33 -1.33 0.00 0.00 177.39 176.72 1u20 h GLU 150 N 0.00 0.00 -4.94 3.23 3.07 -1.80 -3.36 114.58 110.79 1u20 h GLU 150 Ca 0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 1u20 h GLU 150 Cb 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 27.60 1u20 h GLU 150 CO 0.00 0.08 -0.75 0.08 -1.40 0.00 0.00 179.01 177.02 1u20 s VAL 151 N -4.83 2.90 -2.77 3.13 1.01 -0.46 -1.72 120.40 117.66 1u20 s VAL 151 Ca -0.04 -0.91 0.24 0.00 0.00 0.00 0.00 61.98 61.26 1u20 s VAL 151 Cb 0.16 -2.42 0.31 0.00 0.00 0.00 0.00 36.38 34.43 1u20 s VAL 151 CO 0.67 0.27 1.37 0.23 0.00 0.00 0.00 175.10 177.65 1u20 n MET 152 N 4.69 2.27 0.00 2.72 2.81 0.12 -0.21 117.12 129.52 1u20 n MET 152 Ca -0.17 -1.87 0.00 0.00 -1.81 0.00 0.00 57.70 53.84 1u20 n MET 152 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1u20 n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u20 n GLY 153 N 1.36 4.43 3.86 3.03 0.00 -1.24 -4.86 105.19 111.78 1u20 n GLY 153 Ca 0.16 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1u20 n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u20 s LEU 154 N 0.00 4.14 0.06 0.99 1.43 -1.26 -0.73 118.68 123.31 1u20 s LEU 154 Ca 0.00 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1u20 s LEU 154 Cb 0.00 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 1u20 s LEU 154 CO 0.00 -0.11 -0.05 0.27 0.23 0.00 0.00 176.35 176.69 1u20 s ILE 155 N -1.86 0.36 -0.03 -0.59 -4.36 -0.03 -4.90 121.20 109.80 1u20 s ILE 155 Ca 0.49 -1.56 -0.02 0.00 -0.26 0.00 0.00 60.65 59.30 1u20 s ILE 155 Cb -0.11 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.38 1u20 s ILE 155 CO 0.20 -0.78 0.12 -0.13 0.24 0.00 0.00 174.94 174.59 1u20 s ARG 156 N -3.07 3.24 -0.24 0.37 0.52 -1.26 -1.29 118.95 117.21 1u20 s ARG 156 Ca 0.01 -0.38 -0.25 0.00 -0.52 0.00 0.00 55.73 54.59 1u20 s ARG 156 Cb 0.01 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 1u20 s ARG 156 CO -0.05 0.68 0.85 0.08 0.02 0.00 0.00 175.30 176.88 1u20 s VAL 157 N -1.20 4.82 -0.01 3.52 1.01 -0.62 -4.96 120.40 122.97 1u20 s VAL 157 Ca 0.23 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 1u20 s VAL 157 Cb -0.12 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1u20 s VAL 157 CO 0.14 -0.09 1.39 -2.16 0.00 0.00 0.00 175.10 174.37 1u20 s PRO 158 N 2.89 4.29 0.05 2.72 0.04 -1.26 -4.62 135.00 139.10 1u20 s PRO 158 Ca 0.36 1.95 0.21 0.00 0.04 0.00 0.00 61.00 63.56 1u20 s PRO 158 Cb -0.15 -3.58 -0.19 0.00 0.04 0.00 0.00 34.50 30.63 1u20 s PRO 158 CO 0.07 -0.57 0.69 1.28 0.04 0.00 0.00 177.00 178.51 1u20 n LEU 159 N 5.38 0.42 -4.91 -3.56 4.77 -1.26 -3.36 117.00 114.48 1u20 n LEU 159 Ca 0.13 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1u20 n LEU 159 Cb 0.44 0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1u20 n LEU 159 CO 0.58 -0.00 0.55 -0.72 -1.33 0.00 0.00 177.39 176.47 1u20 s TYR 160 N -3.29 3.34 -0.13 -1.77 -0.85 -1.26 -4.73 117.35 108.66 1u20 s TYR 160 Ca -0.05 0.75 0.02 0.00 -0.52 0.00 0.00 57.07 57.27 1u20 s TYR 160 Cb 0.11 -2.68 0.00 0.00 0.38 0.00 0.00 41.96 39.77 1u20 s TYR 160 CO 0.85 -0.74 -0.21 0.99 -1.52 0.00 0.00 175.55 174.92 1u20 s THR 161 N -2.99 2.21 1.02 -3.49 2.01 -1.26 -1.13 115.64 112.01 1u20 s THR 161 Ca 0.53 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 1u20 s THR 161 Cb -0.11 -1.89 0.20 0.00 0.01 0.00 0.00 72.50 70.72 1u20 s THR 161 CO 0.46 0.54 1.13 -0.76 -0.69 0.00 0.00 174.62 175.30 1u20 s LEU 162 N 0.71 1.57 0.38 4.42 1.43 0.94 -4.85 118.68 123.28 1u20 s LEU 162 Ca -0.09 0.90 0.10 0.00 -1.03 0.00 0.00 54.13 54.01 1u20 s LEU 162 Cb -0.16 -3.01 0.85 0.00 0.03 0.00 0.00 46.19 43.90 1u20 s LEU 162 CO 0.01 -3.18 1.91 -0.09 0.23 0.00 0.00 176.35 175.23 1u20 h ARG 163 N -1.93 0.63 0.00 1.70 2.43 -2.00 0.25 114.38 115.45 1u20 h ARG 163 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1u20 h ARG 163 Cb 1.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1u20 h ARG 163 CO 0.52 0.41 0.00 -0.40 -1.51 0.00 0.00 179.97 179.00 1u20 n ASP 164 N -4.51 0.00 -0.37 -3.80 3.85 -1.26 -4.86 116.55 105.59 1u20 n ASP 164 Ca 0.14 -0.60 -0.05 0.00 -0.71 0.00 0.00 54.79 53.57 1u20 n ASP 164 Cb 0.40 -0.04 -0.02 0.00 -1.35 0.00 0.00 41.12 40.11 1u20 n ASP 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1u20 n ARG 165 N -1.04 -0.78 0.00 0.11 1.74 0.86 -4.75 116.66 112.81 1u20 n ARG 165 Ca 0.16 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1u20 n ARG 165 Cb 0.09 -4.33 0.00 0.00 -1.02 0.00 0.00 32.46 27.20 1u20 n ARG 165 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1u20 n VAL 166 N -2.64 0.00 -1.76 1.55 0.24 -1.26 -4.87 118.33 109.60 1u20 n VAL 166 Ca -0.05 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 1u20 n VAL 166 Cb 0.27 -0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.41 1u20 n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u20 n GLY 167 N 2.22 0.94 0.00 7.63 0.00 -1.26 -0.60 105.19 114.12 1u20 n GLY 167 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1u20 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u20 n GLY 168 N 0.63 0.92 0.14 -0.02 0.00 -1.26 -0.04 105.19 105.56 1u20 n GLY 168 Ca 0.07 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1u20 n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u20 h LEU 169 N 0.00 0.21 -0.51 0.99 5.85 -1.13 0.97 115.31 121.69 1u20 h LEU 169 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1u20 h LEU 169 Cb 0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1u20 h LEU 169 CO 0.00 0.16 0.34 1.55 -0.34 0.00 0.00 178.44 180.15 1u20 h PRO 170 N 0.31 0.68 -0.60 5.25 0.13 -1.80 0.16 132.00 136.13 1u20 h PRO 170 Ca 0.13 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1u20 h PRO 170 Cb 0.05 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.00 1u20 h PRO 170 CO -0.09 0.45 0.07 0.00 -0.23 0.00 0.00 178.00 178.19 1u20 h ALA 171 N 1.19 1.00 -0.96 -0.56 0.00 -0.71 -2.71 119.26 116.50 1u20 h ALA 171 Ca 0.19 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1u20 h ALA 171 Cb -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.41 1u20 h ALA 171 CO -0.04 0.63 0.60 0.35 0.00 0.00 0.00 179.25 180.79 1u20 h PHE 172 N 0.92 1.10 0.00 0.00 3.04 -0.18 -0.85 116.94 120.98 1u20 h PHE 172 Ca 0.18 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1u20 h PHE 172 Cb 0.44 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1u20 h PHE 172 CO 0.03 0.50 0.00 1.28 -2.02 0.00 0.00 178.31 178.10 1u20 n LEU 173 N -4.60 0.00 -0.29 0.59 4.77 -0.01 -1.92 117.00 115.54 1u20 n LEU 173 Ca 0.16 0.48 0.14 0.00 -0.03 0.00 0.00 56.01 56.77 1u20 n LEU 173 Cb 0.27 -0.48 0.55 0.00 -2.33 0.00 0.00 43.42 41.43 1u20 n LEU 173 CO 0.29 -0.32 0.84 0.00 -1.33 0.00 0.00 177.39 176.87 1u20 s ASN 175 N -2.23 0.51 -0.43 0.00 0.01 -0.81 -4.98 114.94 107.02 1u20 s ASN 175 Ca 0.34 0.70 -0.18 0.00 -0.71 0.00 0.00 52.86 53.01 1u20 s ASN 175 Cb 0.20 -0.98 0.02 0.00 0.41 0.00 0.00 41.25 40.91 1u20 s ASN 175 CO 0.42 -4.38 0.46 0.21 -1.51 0.00 0.00 177.10 172.29 1u20 s ASN 176 N -3.71 6.20 -0.10 -1.22 3.84 -1.26 -5.03 114.94 113.67 1u20 s ASN 176 Ca 0.70 -0.67 -0.05 0.00 0.21 0.00 0.00 52.86 53.06 1u20 s ASN 176 Cb -0.11 -2.23 -0.04 0.00 -0.55 0.00 0.00 41.25 38.32 1u20 s ASN 176 CO 0.57 -0.60 0.10 -0.36 -2.79 0.00 0.00 177.10 174.01 1u20 s PHE 177 N 2.19 3.45 0.36 0.43 0.40 -1.26 -0.06 117.98 123.49 1u20 s PHE 177 Ca 0.13 0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 56.60 1u20 s PHE 177 Cb -0.17 -1.88 -0.09 0.00 0.51 0.00 0.00 43.02 41.39 1u20 s PHE 177 CO 0.14 0.64 1.09 -1.50 0.70 0.00 0.00 175.22 176.29 1u20 s ILE 178 N -1.01 3.52 0.00 0.64 1.10 -0.25 -4.87 121.20 120.34 1u20 s ILE 178 Ca 0.15 1.30 0.00 0.00 -0.51 0.00 0.00 60.65 61.59 1u20 s ILE 178 Cb -0.12 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 38.76 1u20 s ILE 178 CO 0.05 0.14 0.00 0.61 -2.11 0.00 0.00 174.94 173.62 1u20 n GLY 179 N 0.67 2.30 1.17 1.50 0.00 -1.26 -1.09 105.19 108.48 1u20 n GLY 179 Ca 0.03 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.44 1u20 n GLY 179 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u20 n ASN 180 N 2.60 4.28 -0.13 1.61 6.94 -1.26 -4.63 115.26 124.66 1u20 n ASN 180 Ca 0.00 -2.77 0.14 0.00 -0.02 0.00 0.00 54.58 51.92 1u20 n ASN 180 Cb 0.00 -0.54 0.50 0.00 -2.36 0.00 0.00 39.78 37.38 1u20 n ASN 180 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1u20 h SER 181 N 2.65 0.39 -0.40 0.53 4.64 -1.45 0.65 113.55 120.56 1u20 h SER 181 Ca 0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1u20 h SER 181 Cb 1.46 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 1u20 h SER 181 CO 0.25 0.22 0.04 0.50 -0.87 0.00 0.00 176.83 176.97 1u20 h LYS 182 N 0.43 0.68 -0.65 4.77 3.64 -1.82 0.50 116.57 124.12 1u20 h LYS 182 Ca 0.33 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1u20 h LYS 182 Cb 0.70 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1u20 h LYS 182 CO -0.10 0.74 0.39 0.77 -2.27 0.00 0.00 179.45 178.98 1u20 h SER 183 N 0.52 0.78 -0.98 4.20 0.02 -1.45 -2.06 113.55 114.59 1u20 h SER 183 Ca 0.12 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1u20 h SER 183 Cb 0.41 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1u20 h SER 183 CO 0.01 0.62 0.64 1.56 -1.14 0.00 0.00 176.83 178.52 1u20 h GLN 184 N 0.88 1.23 -0.36 3.45 4.20 -0.63 0.53 115.11 124.41 1u20 h GLN 184 Ca 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1u20 h GLN 184 Cb -0.02 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 1u20 h GLN 184 CO -0.04 0.81 0.09 1.25 -0.67 0.00 0.00 178.83 180.27 1u20 h LEU 185 N 1.27 0.53 -0.60 1.46 5.85 -0.57 -1.08 115.31 122.17 1u20 h LEU 185 Ca 0.38 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1u20 h LEU 185 Cb -0.06 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1u20 h LEU 185 CO -0.11 0.62 0.34 -0.07 -0.34 0.00 0.00 178.44 178.88 1u20 h LEU 186 N 0.42 0.74 -0.44 2.25 3.38 -0.97 -0.64 115.31 120.05 1u20 h LEU 186 Ca 0.11 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1u20 h LEU 186 Cb 0.29 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1u20 h LEU 186 CO -0.00 0.61 0.07 0.22 0.09 0.00 0.00 178.44 179.42 1u20 h TYR 187 N 0.81 0.10 -0.61 1.13 5.03 -0.63 -2.11 116.97 120.69 1u20 h TYR 187 Ca 0.21 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.53 1u20 h TYR 187 Cb 0.02 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 1u20 h TYR 187 CO -0.01 -0.02 0.32 0.00 -1.32 0.00 0.00 178.16 177.12 1u20 h ALA 188 N 1.35 0.78 -0.58 1.82 0.00 -0.47 -0.03 119.26 122.14 1u20 h ALA 188 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1u20 h ALA 188 Cb 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1u20 h ALA 188 CO -0.30 0.32 0.38 -0.07 0.00 0.00 0.00 179.25 179.58 1u20 h LEU 189 N 0.83 0.58 0.31 0.00 3.38 -0.64 -0.43 115.31 119.34 1u20 h LEU 189 Ca 0.21 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1u20 h LEU 189 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1u20 h LEU 189 CO -0.03 0.40 -0.15 0.03 0.09 0.00 0.00 178.44 178.79 1u20 h ARG 190 N 0.68 -0.40 0.00 1.13 2.47 -1.02 -0.71 114.38 116.53 1u20 h ARG 190 Ca 0.23 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.95 1u20 h ARG 190 Cb 0.08 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1u20 h ARG 190 CO -0.06 -0.08 -0.14 0.66 0.56 0.00 0.00 179.97 180.91 1u20 h SER 191 N -0.96 0.00 -0.03 7.04 4.64 -0.73 -0.17 113.55 123.33 1u20 h SER 191 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1u20 h SER 191 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1u20 h SER 191 CO 0.07 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 176.34 1u20 n LEU 192 N -3.74 1.52 -3.13 5.97 4.77 -0.19 -4.94 117.00 117.25 1u20 n LEU 192 Ca -0.02 -0.53 -0.23 0.00 -0.03 0.00 0.00 56.01 55.21 1u20 n LEU 192 Cb 0.24 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1u20 n LEU 192 CO 0.31 0.26 0.06 0.29 -1.33 0.00 0.00 177.39 176.99 1u20 n LYS 193 N 0.20 -5.66 0.09 3.23 4.01 -0.08 -4.90 118.16 115.05 1u20 n LYS 193 Ca 0.19 0.89 -0.20 0.00 -0.51 0.00 0.00 58.31 58.68 1u20 n LYS 193 Cb 0.35 -5.79 -0.15 0.00 -0.51 0.00 0.00 35.03 28.94 1u20 n LYS 193 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1u20 h LEU 194 N -1.72 0.54 -7.86 -0.35 3.38 -1.35 -3.47 115.31 104.49 1u20 h LEU 194 Ca -0.54 -0.70 -0.24 0.00 0.09 0.00 0.00 57.88 56.49 1u20 h LEU 194 Cb 1.37 -0.18 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 1u20 h LEU 194 CO 0.56 1.58 -0.73 -0.76 0.09 0.00 0.00 178.44 179.19 1u20 s LEU 195 N -7.20 2.07 0.88 1.67 1.02 -1.04 -5.06 118.68 111.02 1u20 s LEU 195 Ca -0.10 -0.17 -0.12 0.00 0.02 0.00 0.00 54.13 53.76 1u20 s LEU 195 Cb 0.06 -0.06 0.12 0.00 0.02 0.00 0.00 46.19 46.33 1u20 s LEU 195 CO 0.88 -0.06 1.11 -0.13 0.02 0.00 0.00 176.35 178.16 1u20 s ARG 196 N -0.46 1.43 0.23 1.70 0.52 -1.26 -4.30 118.95 116.80 1u20 s ARG 196 Ca -0.04 0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.65 1u20 s ARG 196 Cb -0.03 -1.85 0.30 0.00 0.52 0.00 0.00 34.95 33.89 1u20 s ARG 196 CO -0.00 -2.05 1.82 1.49 0.02 0.00 0.00 175.30 176.57 1u20 h GLU 197 N -1.40 0.77 -0.14 3.54 4.57 -1.98 0.09 114.58 120.03 1u20 h GLU 197 Ca -0.50 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1u20 h GLU 197 Cb 1.30 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1u20 h GLU 197 CO 0.59 0.51 -0.19 0.38 -1.18 0.00 0.00 179.01 179.12 1u20 h ASP 198 N 0.79 0.23 -0.22 1.04 2.03 -1.99 0.62 116.42 118.92 1u20 h ASP 198 Ca 0.34 -0.06 -0.17 0.00 -0.73 0.00 0.00 57.03 56.42 1u20 h ASP 198 Cb 0.22 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1u20 h ASP 198 CO -0.19 0.44 -0.51 1.56 -1.03 0.00 0.00 179.24 179.51 1u20 h GLN 199 N 0.23 0.74 -0.75 4.15 4.20 -1.76 -1.49 115.11 120.43 1u20 h GLN 199 Ca 0.04 -0.50 0.01 0.00 0.06 0.00 0.00 58.65 58.26 1u20 h GLN 199 Cb 0.48 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 1u20 h GLN 199 CO 0.03 1.12 0.50 0.82 -0.67 0.00 0.00 178.83 180.63 1u20 h ILE 200 N 0.46 1.19 -0.46 2.54 2.04 -0.58 -1.39 117.51 121.32 1u20 h ILE 200 Ca -0.00 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1u20 h ILE 200 Cb 1.12 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1u20 h ILE 200 CO 0.11 0.18 0.04 1.56 0.00 0.00 0.00 178.15 180.05 1u20 h GLN 201 N 1.01 0.72 -0.35 2.37 1.08 -0.79 -2.24 115.11 116.91 1u20 h GLN 201 Ca 0.28 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1u20 h GLN 201 Cb -0.11 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 1u20 h GLN 201 CO -0.06 0.71 0.08 1.49 -0.95 0.00 0.00 178.83 180.09 1u20 h GLU 202 N 0.69 0.56 -0.37 1.46 4.57 -0.82 -1.25 114.58 119.43 1u20 h GLU 202 Ca 0.14 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1u20 h GLU 202 Cb 0.36 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1u20 h GLU 202 CO 0.01 0.62 -0.05 -0.39 -1.18 0.00 0.00 179.01 178.02 1u20 h VAL 203 N 0.41 1.23 -0.58 0.32 -1.51 -0.99 0.35 116.25 115.46 1u20 h VAL 203 Ca 0.11 -0.96 -0.11 0.00 -1.23 0.00 0.00 66.70 64.52 1u20 h VAL 203 Cb 0.31 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 1u20 h VAL 203 CO 0.00 0.32 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.54 1u20 h LEU 204 N 0.56 1.06 -0.13 4.19 3.38 -1.32 -0.56 115.31 122.49 1u20 h LEU 204 Ca 0.11 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1u20 h LEU 204 Cb 0.44 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u20 h LEU 204 CO 0.02 1.13 -0.00 0.50 0.09 0.00 0.00 178.44 180.18 1u20 h LYS 205 N 0.96 0.24 -0.32 1.13 3.64 -0.70 -0.76 116.57 120.76 1u20 h LYS 205 Ca 0.16 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1u20 h LYS 205 Cb 0.62 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1u20 h LYS 205 CO 0.04 0.47 0.01 0.00 -2.27 0.00 0.00 179.45 177.71 1u20 h ALA 206 N 0.75 1.42 -0.13 5.00 0.00 -0.89 -1.63 119.26 123.79 1u20 h ALA 206 Ca 0.04 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1u20 h ALA 206 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u20 h ALA 206 CO 0.01 0.41 -0.70 0.66 0.00 0.00 0.00 179.25 179.63 1u20 h SER 207 N 0.47 0.65 0.98 0.00 4.64 -0.96 -2.97 113.55 116.37 1u20 h SER 207 Ca 0.10 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1u20 h SER 207 Cb 0.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1u20 h SER 207 CO 0.01 1.16 0.00 0.45 -0.87 0.00 0.00 176.83 177.58 1u20 h HIS 208 N 0.39 0.00 -0.01 4.77 -0.00 -0.78 -3.47 115.15 116.05 1u20 h HIS 208 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1u20 h HIS 208 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1u20 h HIS 208 CO 0.06 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 178.53