#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhy s GLU 3 N 0.00 3.86 -0.57 -1.46 2.02 -1.26 -4.97 118.70 116.32 1rhy s GLU 3 Ca 0.00 2.09 -0.20 0.00 0.02 0.00 0.00 54.97 56.88 1rhy s GLU 3 Cb 0.00 -2.65 0.08 0.00 0.10 0.00 0.00 34.13 31.66 1rhy s GLU 3 CO 0.00 -0.56 0.73 1.03 0.02 0.00 0.00 175.26 176.48 1rhy s ARG 4 N -2.38 3.10 0.08 1.61 0.52 -1.26 -5.02 118.95 115.60 1rhy s ARG 4 Ca 0.59 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.85 1rhy s ARG 4 Cb -0.36 -4.19 -0.03 0.00 0.52 0.00 0.00 34.95 30.89 1rhy s ARG 4 CO 0.46 -1.46 -0.19 0.42 0.02 0.00 0.00 175.30 174.55 1rhy s ILE 5 N 2.95 1.54 -0.14 1.52 1.01 -1.26 -0.79 121.20 126.03 1rhy s ILE 5 Ca 0.16 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1rhy s ILE 5 Cb -0.21 -1.39 0.07 0.00 0.01 0.00 0.00 42.46 40.95 1rhy s ILE 5 CO 0.10 -0.01 0.70 0.00 0.00 0.00 0.00 174.94 175.72 1rhy s ALA 6 N -1.05 -1.78 0.05 9.38 0.00 -0.86 -4.49 121.76 123.01 1rhy s ALA 6 Ca 0.05 1.59 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1rhy s ALA 6 Cb -0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1rhy s ALA 6 CO 0.03 -0.36 -0.18 -1.12 0.00 0.00 0.00 175.76 174.13 1rhy s SER 7 N -0.59 2.12 -0.04 0.00 0.01 -1.26 -0.83 113.70 113.11 1rhy s SER 7 Ca -0.07 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 1rhy s SER 7 Cb -0.02 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.08 1rhy s SER 7 CO 0.06 0.09 0.09 -0.69 0.41 0.00 0.00 173.24 173.20 1rhy s VAL 8 N -0.89 -0.03 -0.01 3.43 1.01 0.17 -4.97 120.40 119.10 1rhy s VAL 8 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1rhy s VAL 8 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1rhy s VAL 8 CO 0.02 0.05 -0.05 -0.70 0.00 0.00 0.00 175.10 174.41 1rhy s GLU 9 N 0.70 0.55 -0.01 2.72 2.12 -1.26 0.02 118.70 123.55 1rhy s GLU 9 Ca -0.06 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.11 1rhy s GLU 9 Cb -0.08 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.76 1rhy s GLU 9 CO -0.03 0.07 -0.05 1.03 -0.54 0.00 0.00 175.26 175.75 1rhy s ARG 10 N 0.14 0.42 -0.04 4.30 0.52 0.27 -4.98 118.95 119.58 1rhy s ARG 10 Ca -0.01 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1rhy s ARG 10 Cb -0.06 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.01 1rhy s ARG 10 CO -0.00 0.08 -0.05 0.99 0.02 0.00 0.00 175.30 176.34 1rhy s THR 11 N 0.03 0.54 0.32 0.02 2.01 -1.26 0.03 115.64 117.33 1rhy s THR 11 Ca 0.00 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1rhy s THR 11 Cb -0.04 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1rhy s THR 11 CO -0.00 0.22 0.03 0.35 -0.69 0.00 0.00 174.62 174.53 1rhy n THR 12 N 4.03 0.00 0.29 -0.82 -2.24 0.16 -5.00 114.28 110.70 1rhy n THR 12 Ca -0.25 -1.60 0.16 0.00 -2.27 0.00 0.00 64.05 60.08 1rhy n THR 12 Cb 0.51 0.40 0.57 0.00 -2.10 0.00 0.00 70.33 69.71 1rhy n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rhy h SER 13 N 0.91 0.00 0.00 3.42 0.02 -2.03 -3.29 113.55 112.57 1rhy h SER 13 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1rhy h SER 13 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1rhy h SER 13 CO 0.43 0.00 -0.60 -0.62 -1.14 0.00 0.00 176.83 174.89 1rhy n GLU 14 N -2.98 3.32 -3.80 3.45 -0.58 -1.26 -5.04 120.64 113.74 1rhy n GLU 14 Ca 0.01 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1rhy n GLU 14 Cb 0.34 -0.85 -0.10 0.00 -0.57 0.00 0.00 31.44 30.26 1rhy n GLU 14 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1rhy s THR 15 N -1.73 0.04 -0.13 2.62 2.01 -1.24 -3.67 115.64 113.54 1rhy s THR 15 Ca 0.00 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1rhy s THR 15 Cb 0.02 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.11 1rhy s THR 15 CO 0.14 -0.17 -0.17 -2.28 -0.69 0.00 0.00 174.62 171.45 1rhy s HIS 16 N -0.65 2.21 -0.07 4.92 2.46 -0.57 -0.67 115.29 122.92 1rhy s HIS 16 Ca -0.07 -1.12 0.04 0.00 0.47 0.00 0.00 55.06 54.37 1rhy s HIS 16 Cb -0.04 -1.57 0.00 0.00 -0.13 0.00 0.00 32.58 30.84 1rhy s HIS 16 CO 0.02 -0.57 -0.19 0.42 -2.47 0.00 0.00 174.74 171.95 1rhy s ILE 17 N 1.08 1.64 -0.04 0.89 1.01 0.10 -1.20 121.20 124.69 1rhy s ILE 17 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1rhy s ILE 17 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1rhy s ILE 17 CO -0.04 0.47 -0.12 -0.55 0.00 0.00 0.00 174.94 174.69 1rhy s SER 18 N 0.27 1.58 -0.13 3.58 0.15 -0.57 0.98 113.70 119.56 1rhy s SER 18 Ca -0.11 -0.25 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 1rhy s SER 18 Cb -0.15 -0.47 0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1rhy s SER 18 CO 0.05 0.09 0.29 0.00 1.20 0.00 0.00 173.24 174.87 1rhy s THR 20 N 1.42 1.19 0.03 0.00 2.01 0.58 0.43 115.64 121.31 1rhy s THR 20 Ca -0.08 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1rhy s THR 20 Cb -0.10 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1rhy s THR 20 CO -0.10 0.35 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.58 1rhy s ILE 21 N 0.08 0.69 -0.09 1.82 2.07 -0.01 -0.49 121.20 125.27 1rhy s ILE 21 Ca -0.03 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 1rhy s ILE 21 Cb -0.10 -0.68 0.02 0.00 0.13 0.00 0.00 42.46 41.83 1rhy s ILE 21 CO 0.01 -0.17 -0.08 -0.62 -1.91 0.00 0.00 174.94 172.18 1rhy s ASP 22 N -1.17 1.84 0.09 4.50 -1.08 -0.11 -2.04 116.67 118.70 1rhy s ASP 22 Ca -0.04 -0.25 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 1rhy s ASP 22 Cb -0.08 -0.74 0.64 0.00 -1.46 0.00 0.00 42.92 41.28 1rhy s ASP 22 CO 0.01 -0.08 1.55 0.18 0.52 0.00 0.00 175.17 177.35 1rhy n LEU 23 N 4.53 0.56 0.00 -1.34 4.32 0.03 -0.48 117.00 124.63 1rhy n LEU 23 Ca -0.16 0.30 -0.25 0.00 -0.02 0.00 0.00 56.01 55.88 1rhy n LEU 23 Cb 0.51 -0.28 -0.07 0.00 -1.62 0.00 0.00 43.42 41.96 1rhy n LEU 23 CO 0.19 -0.03 -0.16 0.47 -1.22 0.00 0.00 177.39 176.64 1rhy n ASP 24 N -1.91 1.40 -3.59 -1.43 8.00 -1.26 -4.70 116.55 113.07 1rhy n ASP 24 Ca 0.05 -3.09 -0.16 0.00 0.71 0.00 0.00 54.79 52.29 1rhy n ASP 24 Cb 0.40 0.94 -0.07 0.00 -0.02 0.00 0.00 41.12 42.37 1rhy n ASP 24 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1rhy s HIS 25 N -3.00 -0.60 -0.55 1.24 -3.43 -1.26 -4.77 115.29 102.92 1rhy s HIS 25 Ca 0.18 1.12 -0.28 0.00 -0.80 0.00 0.00 55.06 55.28 1rhy s HIS 25 Cb 0.01 0.33 0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1rhy s HIS 25 CO 0.13 -0.52 1.17 0.42 -2.00 0.00 0.00 174.74 173.94 1rhy s ILE 26 N -0.89 4.08 0.08 -5.38 1.01 -1.26 -4.93 121.20 113.92 1rhy s ILE 26 Ca -0.09 0.98 -0.36 0.00 0.00 0.00 0.00 60.65 61.18 1rhy s ILE 26 Cb -0.02 -4.69 -0.18 0.00 0.01 0.00 0.00 42.46 37.59 1rhy s ILE 26 CO 0.07 -1.24 1.09 -2.65 0.00 0.00 0.00 174.94 172.21 1rhy n PRO 27 N 8.23 0.52 0.00 2.79 -0.02 -1.26 0.48 135.00 145.73 1rhy n PRO 27 Ca 0.09 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1rhy n PRO 27 Cb 0.49 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1rhy n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rhy n GLY 28 N 1.91 1.91 0.00 -1.23 0.00 -1.26 -4.60 105.19 101.91 1rhy n GLY 28 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1rhy n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rhy n VAL 29 N 0.00 0.00 -2.82 1.61 0.31 -0.85 -4.79 118.33 111.79 1rhy n VAL 29 Ca 0.00 1.10 -0.22 0.00 -0.01 0.00 0.00 64.34 65.22 1rhy n VAL 29 Cb 0.00 -1.74 0.02 0.00 -0.91 0.00 0.00 33.84 31.22 1rhy n VAL 29 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1rhy s THR 30 N -1.42 3.29 0.06 2.52 -4.23 0.18 -4.97 115.64 111.07 1rhy s THR 30 Ca 0.00 -0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1rhy s THR 30 Cb 0.00 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1rhy s THR 30 CO 0.00 -0.15 -0.04 -0.70 -0.54 0.00 0.00 174.62 173.19 1rhy s GLU 31 N -4.65 0.65 0.36 3.99 2.12 -1.26 -4.29 118.70 115.62 1rhy s GLU 31 Ca 0.53 -1.24 -0.28 0.00 0.36 0.00 0.00 54.97 54.34 1rhy s GLU 31 Cb -0.10 0.12 -0.10 0.00 0.26 0.00 0.00 34.13 34.31 1rhy s GLU 31 CO 0.38 -0.09 1.36 -0.65 -0.54 0.00 0.00 175.26 175.72 1rhy s GLN 32 N -3.87 4.22 -0.07 4.30 -0.21 -1.26 -5.01 119.66 117.75 1rhy s GLN 32 Ca 0.08 2.31 0.00 0.00 0.02 0.00 0.00 55.36 57.77 1rhy s GLN 32 Cb 0.07 -2.99 0.02 0.00 1.00 0.00 0.00 33.01 31.11 1rhy s GLN 32 CO -0.09 -0.34 -0.06 0.21 -2.12 0.00 0.00 175.29 172.89 1rhy s LYS 33 N -1.95 1.15 -0.05 2.91 2.20 -1.26 -5.04 119.74 117.69 1rhy s LYS 33 Ca 0.51 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1rhy s LYS 33 Cb -0.41 -1.19 0.02 0.00 -1.51 0.00 0.00 37.83 34.74 1rhy s LYS 33 CO 0.55 -0.16 -0.03 0.42 -0.36 0.00 0.00 175.35 175.77 1rhy s ILE 34 N 1.33 0.48 -0.13 5.43 1.01 -1.26 -1.64 121.20 126.41 1rhy s ILE 34 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1rhy s ILE 34 Cb -0.14 -0.55 0.05 0.00 0.01 0.00 0.00 42.46 41.83 1rhy s ILE 34 CO -0.03 0.24 0.06 0.20 0.00 0.00 0.00 174.94 175.41 1rhy s ASN 35 N 1.29 2.10 -0.10 3.58 -0.87 -0.09 -4.99 114.94 115.86 1rhy s ASN 35 Ca -0.05 -0.43 0.01 0.00 -1.57 0.00 0.00 52.86 50.81 1rhy s ASN 35 Cb -0.14 -0.33 0.02 0.00 -0.02 0.00 0.00 41.25 40.79 1rhy s ASN 35 CO -0.02 -0.30 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.41 1rhy s VAL 36 N 2.06 1.25 -0.30 1.60 1.01 -1.26 -0.62 120.40 124.14 1rhy s VAL 36 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1rhy s VAL 36 Cb -0.15 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.16 1rhy s VAL 36 CO -0.07 0.40 0.16 -0.55 0.00 0.00 0.00 175.10 175.04 1rhy s SER 37 N 1.23 3.26 -0.04 3.32 0.15 0.10 -4.87 113.70 116.86 1rhy s SER 37 Ca -0.03 -1.44 0.21 0.00 0.70 0.00 0.00 55.95 55.39 1rhy s SER 37 Cb -0.14 -0.29 -0.32 0.00 -1.71 0.00 0.00 66.02 63.56 1rhy s SER 37 CO -0.04 -0.41 0.44 0.35 1.20 0.00 0.00 173.24 174.78 1rhy n THR 38 N 4.99 0.08 0.00 6.45 -2.24 -1.26 -0.39 114.28 121.91 1rhy n THR 38 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1rhy n THR 38 Cb 0.41 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1rhy n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rhy n GLY 39 N 1.34 0.43 2.99 3.38 0.00 -1.26 -4.72 105.19 107.35 1rhy n GLY 39 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1rhy n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rhy s ILE 40 N -2.00 1.88 0.19 -0.61 1.01 -1.26 -5.02 121.20 115.38 1rhy s ILE 40 Ca 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 60.65 58.89 1rhy s ILE 40 Cb 0.00 -2.14 0.18 0.00 0.01 0.00 0.00 42.46 40.51 1rhy s ILE 40 CO 0.00 -0.20 1.64 1.23 0.00 0.00 0.00 174.94 177.61 1rhy h GLY 41 N 7.83 0.34 1.00 6.18 0.00 -1.95 -1.24 103.07 115.22 1rhy h GLY 41 Ca -0.15 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1rhy h GLY 41 CO 0.45 -0.21 0.35 -2.75 0.00 0.00 0.00 176.54 174.39 1rhy h PHE 42 N -0.02 0.81 -0.83 5.60 3.57 -1.89 -1.71 116.94 122.47 1rhy h PHE 42 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1rhy h PHE 42 Cb 0.42 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1rhy h PHE 42 CO -0.47 0.56 0.47 1.25 -2.23 0.00 0.00 178.31 177.90 1rhy h LEU 43 N 0.82 1.02 -0.85 0.59 5.85 -1.76 -1.30 115.31 119.68 1rhy h LEU 43 Ca 0.22 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1rhy h LEU 43 Cb 0.00 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1rhy h LEU 43 CO -0.04 0.80 0.55 0.44 -0.34 0.00 0.00 178.44 179.85 1rhy h ASP 44 N 1.16 0.90 -0.36 1.25 5.19 -0.71 -0.43 116.42 123.43 1rhy h ASP 44 Ca 0.30 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1rhy h ASP 44 Cb -0.00 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1rhy h ASP 44 CO -0.05 0.62 0.15 -0.74 -3.12 0.00 0.00 179.24 176.09 1rhy h HIS 45 N 1.06 0.54 0.10 4.55 2.76 -0.39 -1.45 115.15 122.32 1rhy h HIS 45 Ca 0.34 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1rhy h HIS 45 Cb 0.02 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1rhy h HIS 45 CO -0.02 0.49 -0.05 0.52 -1.30 0.00 0.00 177.93 177.57 1rhy h MET 46 N 0.43 -0.13 -0.14 5.26 2.86 -0.66 -0.81 114.93 121.75 1rhy h MET 46 Ca 0.12 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1rhy h MET 46 Cb 0.17 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1rhy h MET 46 CO -0.01 0.08 -0.12 0.74 1.06 0.00 0.00 176.91 178.66 1rhy h PHE 47 N -0.32 0.23 -0.11 -0.22 0.05 -1.11 0.11 116.94 115.58 1rhy h PHE 47 Ca -0.01 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 1rhy h PHE 47 Cb 0.27 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 1rhy h PHE 47 CO -0.01 0.34 -0.05 1.15 -0.18 0.00 0.00 178.31 179.56 1rhy h THR 48 N 0.21 1.32 -0.59 -1.55 2.02 -1.15 -1.02 112.91 112.15 1rhy h THR 48 Ca 0.04 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1rhy h THR 48 Cb 0.35 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1rhy h THR 48 CO 0.02 0.30 0.35 0.00 0.37 0.00 0.00 175.52 176.57 1rhy h ALA 49 N 0.65 1.51 -0.41 6.16 0.00 -0.66 0.55 119.26 127.06 1rhy h ALA 49 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1rhy h ALA 49 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1rhy h ALA 49 CO 0.02 0.43 0.09 1.25 0.00 0.00 0.00 179.25 181.04 1rhy h LEU 50 N 0.81 0.62 -0.15 0.00 5.85 -0.54 -2.49 115.31 119.42 1rhy h LEU 50 Ca 0.21 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1rhy h LEU 50 Cb -0.03 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1rhy h LEU 50 CO -0.04 0.70 -0.25 0.00 -0.34 0.00 0.00 178.44 178.51 1rhy h ALA 51 N 0.95 0.23 0.37 1.25 0.00 -0.62 -2.30 119.26 119.15 1rhy h ALA 51 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1rhy h ALA 51 Cb 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rhy h ALA 51 CO 0.00 0.21 -0.26 -0.22 0.00 0.00 0.00 179.25 178.99 1rhy h LYS 52 N 0.05 -0.58 0.00 0.00 3.64 -0.89 -1.21 116.57 117.58 1rhy h LYS 52 Ca 0.01 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1rhy h LYS 52 Cb 0.83 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1rhy h LYS 52 CO 0.06 -0.39 0.00 0.72 -2.27 0.00 0.00 179.45 177.57 1rhy n HIS 53 N -3.92 0.00 1.37 1.91 8.25 -0.94 -1.58 115.22 120.31 1rhy n HIS 53 Ca -0.07 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.52 1rhy n HIS 53 Cb 0.26 -0.48 0.44 0.00 1.12 0.00 0.00 29.99 31.32 1rhy n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rhy n GLY 54 N -0.29 0.22 2.30 -1.41 0.00 -0.86 -4.11 105.19 101.05 1rhy n GLY 54 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1rhy n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhy n GLY 55 N 1.21 0.37 3.66 -0.02 0.00 -0.61 -4.27 105.19 105.52 1rhy n GLY 55 Ca 0.18 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1rhy n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rhy s MET 56 N -4.14 2.22 -0.06 1.61 -1.94 -0.50 -4.55 119.30 111.95 1rhy s MET 56 Ca 0.00 -1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 52.39 1rhy s MET 56 Cb 0.00 -2.07 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 1rhy s MET 56 CO 0.00 0.21 -0.01 -1.12 -0.01 0.00 0.00 175.02 174.08 1rhy s SER 57 N -3.73 5.07 -0.13 3.03 0.01 0.37 -4.42 113.70 113.90 1rhy s SER 57 Ca 0.34 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 1rhy s SER 57 Cb -0.03 -1.37 0.05 0.00 0.21 0.00 0.00 66.02 64.88 1rhy s SER 57 CO 0.20 0.35 0.31 -0.22 0.41 0.00 0.00 173.24 174.30 1rhy s LEU 58 N -1.06 0.31 -0.26 2.44 2.96 -0.65 -0.94 118.68 121.48 1rhy s LEU 58 Ca 0.15 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1rhy s LEU 58 Cb -0.11 1.01 0.05 0.00 0.50 0.00 0.00 46.19 47.63 1rhy s LEU 58 CO 0.04 -0.16 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.73 1rhy s GLN 59 N 1.11 2.48 -0.18 1.98 -1.52 0.36 -0.91 119.66 122.98 1rhy s GLN 59 Ca -0.08 -1.21 -0.04 0.00 -1.95 0.00 0.00 55.36 52.09 1rhy s GLN 59 Cb -0.08 -2.96 0.06 0.00 -0.22 0.00 0.00 33.01 29.81 1rhy s GLN 59 CO -0.08 -0.52 0.06 -1.17 -0.25 0.00 0.00 175.29 173.33 1rhy s LEU 60 N 1.20 0.75 -0.04 2.90 0.20 0.21 -0.31 118.68 123.60 1rhy s LEU 60 Ca -0.05 -0.70 0.03 0.00 0.69 0.00 0.00 54.13 54.10 1rhy s LEU 60 Cb -0.19 -0.42 0.00 0.00 -0.43 0.00 0.00 46.19 45.16 1rhy s LEU 60 CO -0.05 -0.33 -0.11 0.00 -0.29 0.00 0.00 176.35 175.58 1rhy s GLN 61 N 2.00 1.20 -0.23 1.98 0.00 -0.63 0.03 119.66 124.02 1rhy s GLN 61 Ca 0.01 -0.36 0.01 0.00 -0.00 0.00 0.00 55.36 55.02 1rhy s GLN 61 Cb -0.16 -1.08 0.06 0.00 0.00 0.00 0.00 33.01 31.82 1rhy s GLN 61 CO -0.08 0.11 -0.06 0.00 0.00 0.00 0.00 175.29 175.25 1rhy s LYS 63 N 1.39 2.75 0.00 0.00 1.02 -0.34 -4.58 119.74 119.98 1rhy s LYS 63 Ca -0.05 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1rhy s LYS 63 Cb -0.18 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1rhy s LYS 63 CO -0.07 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 1rhy n GLY 64 N -1.31 3.08 3.63 -3.33 0.00 -1.26 -1.52 105.19 104.48 1rhy n GLY 64 Ca -0.03 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1rhy n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rhy s ASP 65 N 0.00 6.15 -0.47 1.61 1.01 -1.24 -5.03 116.67 118.70 1rhy s ASP 65 Ca 0.00 1.96 -0.44 0.00 0.71 0.00 0.00 52.55 54.78 1rhy s ASP 65 Cb 0.00 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 41.22 1rhy s ASP 65 CO 0.00 -1.39 1.56 0.00 0.21 0.00 0.00 175.17 175.55 1rhy n LEU 66 N 9.07 1.09 0.00 1.23 -0.00 -1.26 -4.94 117.00 122.19 1rhy n LEU 66 Ca 0.22 1.07 0.00 0.00 -0.00 0.00 0.00 56.01 57.30 1rhy n LEU 66 Cb 0.44 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1rhy n LEU 66 CO 0.66 -0.78 0.00 0.41 -0.00 0.00 0.00 177.39 177.67 1rhy n THR 73 N 4.03 0.00 0.08 1.47 -1.04 -1.26 -5.17 114.28 112.40 1rhy n THR 73 Ca 0.32 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.31 1rhy n THR 73 Cb -0.05 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.41 1rhy n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rhy h ALA 74 N 0.73 0.60 -1.05 2.41 0.00 -2.01 -3.26 119.26 116.67 1rhy h ALA 74 Ca 0.00 -0.73 0.32 0.00 0.00 0.00 0.00 54.91 54.51 1rhy h ALA 74 Cb 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 1rhy h ALA 74 CO 0.00 0.92 0.62 0.93 0.00 0.00 0.00 179.25 181.72 1rhy h GLU 75 N 0.00 0.32 -0.43 0.00 5.08 -1.96 0.62 114.58 118.21 1rhy h GLU 75 Ca -0.06 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1rhy h GLU 75 Cb 1.57 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1rhy h GLU 75 CO 0.08 0.21 0.29 -0.44 -1.00 0.00 0.00 179.01 178.15 1rhy h ASP 76 N 0.33 0.24 0.71 1.42 3.45 -1.99 0.72 116.42 121.30 1rhy h ASP 76 Ca 0.72 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.97 1rhy h ASP 76 Cb 1.73 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 40.44 1rhy h ASP 76 CO -0.53 0.16 -0.96 0.00 -1.57 0.00 0.00 179.24 176.34 1rhy h ALA 78 N 0.94 0.91 -0.38 0.00 0.00 -0.95 -1.32 119.26 118.47 1rhy h ALA 78 Ca -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1rhy h ALA 78 Cb 1.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1rhy h ALA 78 CO 0.14 0.65 0.06 -0.07 0.00 0.00 0.00 179.25 180.03 1rhy h LEU 79 N 0.93 0.60 -0.49 0.00 3.38 -0.84 -0.46 115.31 118.42 1rhy h LEU 79 Ca 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1rhy h LEU 79 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1rhy h LEU 79 CO 0.03 0.71 0.18 0.00 0.09 0.00 0.00 178.44 179.45 1rhy h ALA 80 N 0.91 0.64 -0.10 1.53 0.00 -1.16 0.22 119.26 121.30 1rhy h ALA 80 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rhy h ALA 80 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1rhy h ALA 80 CO 0.01 0.26 -0.07 1.25 0.00 0.00 0.00 179.25 180.70 1rhy h LEU 81 N 0.66 -0.23 -1.29 0.00 5.85 -1.06 0.12 115.31 119.36 1rhy h LEU 81 Ca 0.16 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1rhy h LEU 81 Cb 0.22 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1rhy h LEU 81 CO -0.01 -0.10 0.29 1.23 -0.34 0.00 0.00 178.44 179.51 1rhy h GLY 82 N -0.08 0.83 0.92 3.75 0.00 -0.79 -0.34 103.07 107.36 1rhy h GLY 82 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1rhy h GLY 82 CO -0.15 0.35 0.09 0.83 0.00 0.00 0.00 176.54 177.66 1rhy h GLU 83 N 0.79 0.57 -0.38 4.80 5.08 0.33 -1.38 114.58 124.39 1rhy h GLU 83 Ca 0.20 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1rhy h GLU 83 Cb 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1rhy h GLU 83 CO -0.03 0.61 -0.04 0.00 -1.00 0.00 0.00 179.01 178.56 1rhy h ALA 84 N 0.93 0.52 -0.30 3.43 0.00 -0.22 -1.89 119.26 121.73 1rhy h ALA 84 Ca 0.11 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rhy h ALA 84 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1rhy h ALA 84 CO 0.00 0.33 0.02 0.35 0.00 0.00 0.00 179.25 179.95 1rhy h PHE 85 N 0.51 0.03 -0.31 0.00 3.57 -1.00 0.81 116.94 120.55 1rhy h PHE 85 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1rhy h PHE 85 Cb 0.53 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1rhy h PHE 85 CO 0.04 -0.03 0.18 -0.22 -2.23 0.00 0.00 178.31 176.06 1rhy h LYS 86 N 0.12 0.36 -0.40 1.11 3.64 -1.12 0.39 116.57 120.66 1rhy h LYS 86 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1rhy h LYS 86 Cb 0.18 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1rhy h LYS 86 CO -0.22 0.24 0.20 0.87 -2.27 0.00 0.00 179.45 178.27 1rhy h LYS 87 N 0.37 0.57 -0.55 1.90 1.57 -0.82 -2.40 116.57 117.22 1rhy h LYS 87 Ca 0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1rhy h LYS 87 Cb -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1rhy h LYS 87 CO -0.05 0.49 0.25 0.00 -0.57 0.00 0.00 179.45 179.57 1rhy h ALA 88 N 1.05 1.41 0.00 3.86 0.00 -0.56 -0.03 119.26 125.00 1rhy h ALA 88 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rhy h ALA 88 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rhy h ALA 88 CO -0.02 0.46 -0.08 1.25 0.00 0.00 0.00 179.25 180.86 1rhy h LEU 89 N 0.77 0.00 0.00 0.00 5.85 -0.49 -3.40 115.31 118.04 1rhy h LEU 89 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1rhy h LEU 89 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1rhy h LEU 89 CO -0.02 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 1rhy n GLY 90 N -1.14 2.60 0.25 3.75 0.00 -0.03 -1.07 105.19 109.56 1rhy n GLY 90 Ca -0.03 0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1rhy n GLY 90 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1rhy h GLU 91 N 0.00 0.00 -3.48 1.61 -0.00 -1.87 -3.47 114.58 107.37 1rhy h GLU 91 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 59.36 58.96 1rhy h GLU 91 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1rhy h GLU 91 CO 0.00 0.13 -0.54 0.54 -0.00 0.00 0.00 179.01 179.14 1rhy n ARG 92 N -3.35 -2.55 -3.14 1.06 1.74 -0.23 -4.95 116.66 105.24 1rhy n ARG 92 Ca -0.00 0.95 -0.39 0.00 -0.77 0.00 0.00 57.85 57.63 1rhy n ARG 92 Cb 0.34 -5.66 -0.05 0.00 -1.02 0.00 0.00 32.46 26.06 1rhy n ARG 92 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1rhy s LYS 93 N -5.23 4.37 -0.02 5.56 1.02 -1.26 -4.04 119.74 120.15 1rhy s LYS 93 Ca 0.08 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1rhy s LYS 93 Cb -0.04 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1rhy s LYS 93 CO 0.10 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1rhy n GLY 94 N 2.58 0.45 3.92 -3.33 0.00 -1.26 -5.03 105.19 102.52 1rhy n GLY 94 Ca -0.05 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1rhy n GLY 94 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rhy s ILE 95 N -1.91 4.98 0.33 -0.61 -4.36 -1.26 -4.30 121.20 114.07 1rhy s ILE 95 Ca 0.00 -0.02 0.26 0.00 -0.26 0.00 0.00 60.65 60.63 1rhy s ILE 95 Cb 0.00 -3.86 0.27 0.00 1.25 0.00 0.00 42.46 40.12 1rhy s ILE 95 CO 0.00 -0.74 1.99 0.50 0.24 0.00 0.00 174.94 176.93 1rhy h LYS 96 N 0.45 0.00 0.00 0.37 3.64 -1.01 -3.46 116.57 116.55 1rhy h LYS 96 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1rhy h LYS 96 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1rhy h LYS 96 CO 0.62 0.16 0.00 -2.13 -2.27 0.00 0.00 179.45 175.83 1rhy n ARG 97 N -3.57 0.00 -3.64 1.90 0.63 -0.21 -4.85 116.66 106.92 1rhy n ARG 97 Ca -0.01 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.55 1rhy n ARG 97 Cb 0.30 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.15 1rhy n ARG 97 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1rhy s TYR 98 N 0.00 3.56 0.01 -0.14 1.51 -1.26 -0.92 117.35 120.11 1rhy s TYR 98 Ca 0.00 0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 56.65 1rhy s TYR 98 Cb 0.00 -2.20 -0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1rhy s TYR 98 CO 0.00 0.48 0.10 0.20 -1.11 0.00 0.00 175.55 175.22 1rhy s GLY 99 N -0.34 0.10 -0.01 0.71 0.00 -0.15 -4.16 107.32 103.46 1rhy s GLY 99 Ca 0.17 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.39 1rhy s GLY 99 CO 0.06 -0.39 0.51 -2.52 0.00 0.00 0.00 173.10 170.75 1rhy s TYR 100 N -1.53 -0.43 0.08 1.90 -0.85 -1.26 -0.22 117.35 115.04 1rhy s TYR 100 Ca -0.14 0.65 -0.26 0.00 -0.52 0.00 0.00 57.07 56.80 1rhy s TYR 100 Cb -0.07 0.28 0.08 0.00 0.38 0.00 0.00 41.96 42.63 1rhy s TYR 100 CO 0.00 -0.54 0.77 0.00 -1.52 0.00 0.00 175.55 174.26 1rhy s ALA 101 N -1.58 -1.71 0.07 9.51 0.00 -0.53 -4.59 121.76 122.93 1rhy s ALA 101 Ca -0.10 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.66 1rhy s ALA 101 Cb -0.02 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1rhy s ALA 101 CO 0.05 -0.75 -0.22 0.71 0.00 0.00 0.00 175.76 175.55 1rhy s TYR 102 N -3.41 1.94 -0.05 0.00 1.51 -1.26 -1.49 117.35 114.58 1rhy s TYR 102 Ca 0.04 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1rhy s TYR 102 Cb -0.01 -1.12 0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1rhy s TYR 102 CO -0.10 0.15 0.09 0.00 -1.11 0.00 0.00 175.55 174.59 1rhy s ALA 103 N -0.91 -0.02 0.32 3.71 0.00 -0.26 -4.86 121.76 119.74 1rhy s ALA 103 Ca 0.09 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.54 1rhy s ALA 103 Cb -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1rhy s ALA 103 CO 0.03 -0.31 0.42 -1.25 0.00 0.00 0.00 175.76 174.65 1rhy s PRO 104 N 1.61 3.11 -0.31 0.00 0.04 -1.26 -1.88 135.00 136.31 1rhy s PRO 104 Ca -0.03 -1.01 0.03 0.00 0.04 0.00 0.00 61.00 60.02 1rhy s PRO 104 Cb -0.12 -2.77 0.17 0.00 0.04 0.00 0.00 34.50 31.81 1rhy s PRO 104 CO -0.04 0.14 0.44 -1.17 0.04 0.00 0.00 177.00 176.41 1rhy s LEU 105 N -4.10 -0.86 0.00 -3.56 2.96 -0.36 -4.90 118.68 107.86 1rhy s LEU 105 Ca 0.42 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1rhy s LEU 105 Cb -0.09 1.22 0.00 0.00 0.50 0.00 0.00 46.19 47.82 1rhy s LEU 105 CO 0.30 -0.33 0.00 0.47 -1.32 0.00 0.00 176.35 175.47 1rhy n ASP 106 N 5.19 0.00 0.13 3.68 8.00 -1.26 -0.50 116.55 131.79 1rhy n ASP 106 Ca 0.03 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.66 1rhy n ASP 106 Cb 0.50 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 42.01 1rhy n ASP 106 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1rhy h GLU 107 N 0.00 0.00 -6.66 -1.24 9.09 -1.97 -3.45 114.58 110.35 1rhy h GLU 107 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 1rhy h GLU 107 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1rhy h GLU 107 CO 0.00 0.00 0.01 -1.12 0.05 0.00 0.00 179.01 177.95 1rhy s SER 108 N -4.64 6.58 -0.10 3.06 0.01 0.34 -4.18 113.70 114.77 1rhy s SER 108 Ca 0.09 1.03 -0.04 0.00 1.31 0.00 0.00 55.95 58.34 1rhy s SER 108 Cb 0.11 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 64.11 1rhy s SER 108 CO 0.56 -0.25 0.21 -0.22 0.41 0.00 0.00 173.24 173.95 1rhy s LEU 109 N -3.38 0.10 0.13 2.44 2.96 -0.38 -1.22 118.68 119.34 1rhy s LEU 109 Ca 0.50 0.46 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 1rhy s LEU 109 Cb -0.11 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 1rhy s LEU 109 CO 0.26 -0.21 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.50 1rhy s SER 110 N 1.90 2.06 0.03 3.68 0.01 -0.79 0.65 113.70 121.24 1rhy s SER 110 Ca -0.03 -0.86 0.06 0.00 1.31 0.00 0.00 55.95 56.44 1rhy s SER 110 Cb -0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1rhy s SER 110 CO -0.07 -0.16 -0.18 -0.60 0.41 0.00 0.00 173.24 172.64 1rhy s ARG 111 N -2.90 1.20 -0.03 12.44 3.52 0.10 -1.11 118.95 132.18 1rhy s ARG 111 Ca 0.11 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 1rhy s ARG 111 Cb -0.04 -1.26 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1rhy s ARG 111 CO 0.03 0.32 -0.06 0.00 -0.81 0.00 0.00 175.30 174.78 1rhy s ALA 112 N -0.76 0.66 -0.08 6.12 0.00 -0.56 -0.90 121.76 126.25 1rhy s ALA 112 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1rhy s ALA 112 Cb -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1rhy s ALA 112 CO 0.01 0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.83 1rhy s VAL 113 N 0.38 1.03 0.01 0.00 1.01 -0.27 -1.46 120.40 121.09 1rhy s VAL 113 Ca -0.05 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1rhy s VAL 113 Cb -0.09 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1rhy s VAL 113 CO 0.00 0.34 -0.08 -0.51 0.00 0.00 0.00 175.10 174.85 1rhy s ILE 114 N 1.00 0.64 -0.28 2.22 2.07 0.69 -1.03 121.20 126.50 1rhy s ILE 114 Ca -0.09 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1rhy s ILE 114 Cb -0.15 -0.57 0.08 0.00 0.13 0.00 0.00 42.46 41.95 1rhy s ILE 114 CO -0.00 0.06 -0.03 -0.62 -1.91 0.00 0.00 174.94 172.44 1rhy s ASP 115 N -0.50 4.36 -1.29 4.50 -1.08 0.08 -0.98 116.67 121.76 1rhy s ASP 115 Ca 0.01 -1.60 -0.17 0.00 -0.52 0.00 0.00 52.55 50.28 1rhy s ASP 115 Cb -0.04 -1.42 0.10 0.00 -1.46 0.00 0.00 42.92 40.09 1rhy s ASP 115 CO 0.00 -0.28 1.70 -0.38 0.52 0.00 0.00 175.17 176.73 1rhy n ILE 116 N 4.47 4.00 -1.24 4.11 5.41 -0.10 -1.96 119.36 134.06 1rhy n ILE 116 Ca -0.07 -4.20 0.00 0.00 1.00 0.00 0.00 62.75 59.48 1rhy n ILE 116 Cb 0.43 -2.39 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1rhy n ILE 116 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1rhy n SER 117 N 7.49 0.00 -1.43 4.38 2.88 -1.26 -4.86 113.62 120.83 1rhy n SER 117 Ca 0.46 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.90 1rhy n SER 117 Cb 0.45 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.01 1rhy n SER 117 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1rhy n SER 118 N 0.00 3.44 -3.96 -3.46 7.64 -1.25 -4.52 113.62 111.51 1rhy n SER 118 Ca 0.00 -3.76 -0.31 0.00 1.01 0.00 0.00 58.87 55.81 1rhy n SER 118 Cb 0.00 -0.42 -0.15 0.00 -1.01 0.00 0.00 64.21 62.63 1rhy n SER 118 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1rhy s ARG 119 N -3.40 1.38 0.04 1.43 0.52 -1.15 -4.99 118.95 112.79 1rhy s ARG 119 Ca 0.45 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.72 1rhy s ARG 119 Cb 0.39 -2.90 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 1rhy s ARG 119 CO -0.01 -0.91 1.57 -2.14 0.02 0.00 0.00 175.30 173.83 1rhy s PRO 120 N 1.09 4.22 -0.17 3.54 0.02 -1.25 -2.88 135.00 139.58 1rhy s PRO 120 Ca 0.09 2.20 -0.23 0.00 0.02 0.00 0.00 61.00 63.08 1rhy s PRO 120 Cb -0.19 -3.61 0.06 0.00 0.02 0.00 0.00 34.50 30.78 1rhy s PRO 120 CO -0.11 -0.69 0.61 -0.47 -0.33 0.00 0.00 177.00 176.01 1rhy s TYR 121 N 2.64 -0.63 -0.11 6.54 5.04 -0.24 -4.91 117.35 125.67 1rhy s TYR 121 Ca 0.71 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 56.69 1rhy s TYR 121 Cb -0.37 0.27 0.05 0.00 0.35 0.00 0.00 41.96 42.26 1rhy s TYR 121 CO 0.30 -0.41 0.25 0.12 -1.34 0.00 0.00 175.55 174.47 1rhy s PHE 122 N -0.22 -0.36 0.01 4.97 5.36 -1.26 -0.37 117.98 126.12 1rhy s PHE 122 Ca -0.04 0.85 0.04 0.00 -0.96 0.00 0.00 56.93 56.82 1rhy s PHE 122 Cb -0.03 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1rhy s PHE 122 CO 0.04 -0.29 -0.14 -1.64 -1.46 0.00 0.00 175.22 171.73 1rhy s MET 123 N 1.80 1.03 0.13 10.12 -1.94 -0.42 -5.01 119.30 125.02 1rhy s MET 123 Ca -0.04 -0.60 -0.16 0.00 -1.71 0.00 0.00 55.69 53.18 1rhy s MET 123 Cb -0.11 -1.01 0.03 0.00 2.01 0.00 0.00 34.83 35.75 1rhy s MET 123 CO -0.08 0.27 0.41 0.00 -0.01 0.00 0.00 175.02 175.60 1rhy s HIS 125 N -3.82 0.35 -0.41 0.00 5.65 -0.34 -4.97 115.29 111.75 1rhy s HIS 125 Ca 0.04 -1.11 0.02 0.00 0.25 0.00 0.00 55.06 54.26 1rhy s HIS 125 Cb 0.02 -0.82 0.13 0.00 -1.18 0.00 0.00 32.58 30.73 1rhy s HIS 125 CO -0.10 -0.85 0.21 -0.51 -0.65 0.00 0.00 174.74 172.83 1rhy s LEU 126 N 1.65 2.67 -1.40 8.88 1.43 -1.26 -0.58 118.68 130.08 1rhy s LEU 126 Ca 0.13 -2.44 -0.15 0.00 -1.03 0.00 0.00 54.13 50.64 1rhy s LEU 126 Cb -0.19 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1rhy s LEU 126 CO -0.18 -0.30 2.05 -0.81 0.23 0.00 0.00 176.35 177.34 1rhy n PRO 127 N 3.79 2.98 -1.01 1.29 -0.05 -1.26 -4.99 135.00 135.76 1rhy n PRO 127 Ca 0.07 -2.86 -0.31 0.00 -0.05 0.00 0.00 63.50 60.35 1rhy n PRO 127 Cb 0.36 -3.36 0.13 0.00 -0.05 0.00 0.00 33.50 30.58 1rhy n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1rhy s PHE 128 N 3.52 2.15 0.00 0.54 0.08 -1.26 -5.00 117.98 118.02 1rhy s PHE 128 Ca 0.49 1.63 0.00 0.00 0.12 0.00 0.00 56.93 59.18 1rhy s PHE 128 Cb 0.10 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 1rhy s PHE 128 CO -0.03 -2.27 0.19 0.25 -0.10 0.00 0.00 175.22 173.26 1rhy n THR 129 N -3.86 0.00 -3.43 0.64 -2.24 -1.26 -5.06 114.28 99.07 1rhy n THR 129 Ca 0.10 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1rhy n THR 129 Cb 0.53 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1rhy n THR 129 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1rhy n ARG 130 N -0.25 2.31 -0.10 -0.78 0.63 -1.26 -5.07 116.66 112.13 1rhy n ARG 130 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1rhy n ARG 130 Cb 0.05 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.85 1rhy n ARG 130 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1rhy n GLU 131 N -0.20 0.75 -4.17 -0.14 2.13 -1.26 -4.84 120.64 112.91 1rhy n GLU 131 Ca 0.00 0.08 -0.14 0.00 0.66 0.00 0.00 57.16 57.76 1rhy n GLU 131 Cb 0.00 -1.45 -0.11 0.00 0.27 0.00 0.00 31.44 30.15 1rhy n GLU 131 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1rhy s LYS 132 N -2.44 0.84 -0.33 5.31 1.02 -1.26 -1.00 119.74 121.87 1rhy s LYS 132 Ca -0.23 -1.16 0.01 0.00 0.02 0.00 0.00 55.97 54.61 1rhy s LYS 132 Cb 0.07 -0.50 0.09 0.00 -0.52 0.00 0.00 37.83 36.96 1rhy s LYS 132 CO 0.59 0.07 0.04 0.54 -0.92 0.00 0.00 175.35 175.67 1rhy s VAL 133 N -2.51 2.61 0.00 3.17 0.11 0.96 -4.72 120.40 120.02 1rhy s VAL 133 Ca 0.06 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1rhy s VAL 133 Cb -0.02 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1rhy s VAL 133 CO -0.00 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 171.96 1rhy n GLY 134 N 4.43 3.78 0.22 6.54 0.00 -1.26 -0.85 105.19 118.05 1rhy n GLY 134 Ca -0.04 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1rhy n GLY 134 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rhy h ASP 135 N 0.00 0.00 -4.02 1.61 1.82 -1.94 -3.46 116.42 110.43 1rhy h ASP 135 Ca 0.00 0.00 -0.69 0.00 -0.39 0.00 0.00 57.03 55.95 1rhy h ASP 135 Cb 0.00 0.00 -0.23 0.00 0.68 0.00 0.00 39.33 39.78 1rhy h ASP 135 CO 0.00 0.22 -0.86 -0.22 -1.61 0.00 0.00 179.24 176.77 1rhy s LEU 136 N -6.74 2.34 0.21 2.28 1.98 -0.03 -4.84 118.68 113.89 1rhy s LEU 136 Ca 0.01 -0.65 -0.30 0.00 -2.89 0.00 0.00 54.13 50.30 1rhy s LEU 136 Cb 0.10 -1.31 -0.09 0.00 0.66 0.00 0.00 46.19 45.56 1rhy s LEU 136 CO 0.64 0.21 1.30 -0.55 -1.89 0.00 0.00 176.35 176.06 1rhy s SER 137 N -1.75 6.90 0.13 3.68 0.15 -1.26 0.32 113.70 121.87 1rhy s SER 137 Ca 0.14 2.41 -0.15 0.00 0.70 0.00 0.00 55.95 59.05 1rhy s SER 137 Cb -0.10 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1rhy s SER 137 CO 0.05 -0.51 1.62 0.71 1.20 0.00 0.00 173.24 176.31 1rhy h THR 138 N 3.68 1.23 -0.07 6.45 1.35 -1.35 -2.68 112.91 121.53 1rhy h THR 138 Ca -0.45 -0.82 0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1rhy h THR 138 Cb 1.22 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1rhy h THR 138 CO 0.76 0.28 0.13 -0.08 -0.25 0.00 0.00 175.52 176.36 1rhy h GLU 139 N 0.52 0.00 0.00 4.72 4.57 -1.91 0.77 114.58 123.24 1rhy h GLU 139 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1rhy h GLU 139 Cb 0.33 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1rhy h GLU 139 CO 0.00 0.00 -0.11 1.98 -1.18 0.00 0.00 179.01 179.71 1rhy h MET 140 N 0.00 0.00 0.34 1.92 4.05 -1.84 -3.33 114.93 116.07 1rhy h MET 140 Ca 0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1rhy h MET 140 Cb 0.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1rhy h MET 140 CO -0.00 0.11 -0.34 0.28 0.23 0.00 0.00 176.91 177.18 1rhy h VAL 141 N 0.00 0.29 -0.97 -5.77 2.07 -0.90 0.50 116.25 111.46 1rhy h VAL 141 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1rhy h VAL 141 Cb 0.87 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1rhy h VAL 141 CO 0.01 0.00 0.62 0.77 0.02 0.00 0.00 177.57 178.99 1rhy h SER 142 N -0.71 0.88 -0.64 0.57 4.64 -1.73 -1.46 113.55 115.10 1rhy h SER 142 Ca -0.02 0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1rhy h SER 142 Cb 0.64 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1rhy h SER 142 CO -0.07 0.48 0.11 0.45 -0.87 0.00 0.00 176.83 176.94 1rhy h HIS 143 N 0.95 1.13 -0.42 4.77 3.86 -1.53 -0.40 115.15 123.51 1rhy h HIS 143 Ca 0.47 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.48 1rhy h HIS 143 Cb 0.48 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1rhy h HIS 143 CO -0.00 0.95 0.08 -0.07 0.86 0.00 0.00 177.93 179.76 1rhy h LEU 144 N 0.98 0.66 -0.84 2.43 3.38 -0.13 0.64 115.31 122.44 1rhy h LEU 144 Ca 0.20 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1rhy h LEU 144 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1rhy h LEU 144 CO 0.01 0.74 0.25 -0.07 0.09 0.00 0.00 178.44 179.46 1rhy h LEU 145 N 0.55 1.03 -0.38 1.67 3.38 -1.13 0.21 115.31 120.64 1rhy h LEU 145 Ca 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1rhy h LEU 145 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1rhy h LEU 145 CO 0.01 0.95 0.05 -0.61 0.09 0.00 0.00 178.44 178.93 1rhy h GLN 146 N 1.07 0.63 -0.49 1.13 4.15 -0.79 -0.51 115.11 120.31 1rhy h GLN 146 Ca 0.24 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.50 1rhy h GLN 146 Cb 0.27 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1rhy h GLN 146 CO -0.01 0.69 0.31 0.77 -1.93 0.00 0.00 178.83 178.66 1rhy h SER 147 N 0.47 0.53 0.13 -0.69 0.02 -0.49 0.19 113.55 113.70 1rhy h SER 147 Ca 0.11 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1rhy h SER 147 Cb 0.37 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1rhy h SER 147 CO 0.01 0.38 -0.06 0.15 -1.14 0.00 0.00 176.83 176.16 1rhy h PHE 148 N 0.63 -0.16 -0.42 3.45 3.57 -0.34 -0.28 116.94 123.39 1rhy h PHE 148 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1rhy h PHE 148 Cb -0.04 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1rhy h PHE 148 CO -0.05 -0.09 0.26 0.00 -2.23 0.00 0.00 178.31 176.20 1rhy h ALA 149 N 0.68 0.53 0.02 2.41 0.00 -0.76 0.14 119.26 122.29 1rhy h ALA 149 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rhy h ALA 149 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rhy h ALA 149 CO 0.03 0.00 -0.01 0.74 0.00 0.00 0.00 179.25 180.01 1rhy h PHE 150 N 0.56 -0.03 -0.58 0.00 -1.00 -0.58 0.49 116.94 115.80 1rhy h PHE 150 Ca 0.15 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 1rhy h PHE 150 Cb -0.03 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 1rhy h PHE 150 CO -0.04 0.16 0.28 0.00 -1.61 0.00 0.00 178.31 177.09 1rhy h ALA 151 N 0.76 1.41 0.00 2.45 0.00 -0.89 -1.81 119.26 121.18 1rhy h ALA 151 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rhy h ALA 151 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rhy h ALA 151 CO 0.01 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1rhy h ALA 152 N 1.50 1.00 -0.81 0.00 0.00 -0.56 -3.36 119.26 117.03 1rhy h ALA 152 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1rhy h ALA 152 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rhy h ALA 152 CO -0.03 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.48 1rhy n GLY 153 N 0.87 0.21 3.76 0.00 0.00 0.07 -4.54 105.19 105.56 1rhy n GLY 153 Ca 0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1rhy n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rhy s VAL 154 N -2.30 3.27 -0.26 1.61 -7.23 -0.62 -2.91 120.40 111.95 1rhy s VAL 154 Ca 0.00 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1rhy s VAL 154 Cb 0.00 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1rhy s VAL 154 CO 0.00 -0.21 0.14 -0.89 -0.31 0.00 0.00 175.10 173.84 1rhy s THR 155 N -2.37 4.95 -0.02 5.32 2.01 -0.83 -1.08 115.64 123.61 1rhy s THR 155 Ca 0.38 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.44 1rhy s THR 155 Cb -0.04 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.14 1rhy s THR 155 CO 0.23 0.29 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.19 1rhy s LEU 156 N 1.63 1.59 -0.13 4.42 2.96 0.50 -0.74 118.68 128.91 1rhy s LEU 156 Ca 0.07 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1rhy s LEU 156 Cb -0.15 -0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.20 1rhy s LEU 156 CO 0.08 -0.01 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.93 1rhy s HIS 157 N 0.49 2.19 -0.11 5.38 3.76 -0.20 -1.30 115.29 125.51 1rhy s HIS 157 Ca -0.06 -1.11 0.04 0.00 -0.15 0.00 0.00 55.06 53.78 1rhy s HIS 157 Cb -0.09 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1rhy s HIS 157 CO -0.00 -0.56 -0.23 0.42 -0.85 0.00 0.00 174.74 173.51 1rhy s ILE 158 N 1.08 2.07 -0.06 0.60 -1.09 -0.44 -1.12 121.20 122.24 1rhy s ILE 158 Ca -0.04 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.37 1rhy s ILE 158 Cb -0.14 -1.79 0.03 0.00 -1.58 0.00 0.00 42.46 38.97 1rhy s ILE 158 CO -0.04 0.56 -0.00 -1.81 -1.23 0.00 0.00 174.94 172.42 1rhy s ASP 159 N 0.44 1.23 -0.14 3.58 1.01 -0.07 -1.19 116.67 121.52 1rhy s ASP 159 Ca -0.16 -0.06 -0.29 0.00 0.71 0.00 0.00 52.55 52.74 1rhy s ASP 159 Cb -0.17 -0.37 -0.01 0.00 1.01 0.00 0.00 42.92 43.38 1rhy s ASP 159 CO 0.07 -0.16 1.04 -0.55 0.21 0.00 0.00 175.17 175.78 1rhy s SER 160 N 1.65 7.18 -0.07 0.27 0.15 0.25 -0.72 113.70 122.41 1rhy s SER 160 Ca -0.00 1.52 -0.13 0.00 0.70 0.00 0.00 55.95 58.04 1rhy s SER 160 Cb -0.13 -2.55 -0.29 0.00 -1.71 0.00 0.00 66.02 61.34 1rhy s SER 160 CO -0.04 -0.53 0.62 0.40 1.20 0.00 0.00 173.24 174.89 1rhy h ILE 161 N 5.21 0.97 -2.79 6.45 1.08 -0.11 -3.47 117.51 124.83 1rhy h ILE 161 Ca -0.28 -2.47 -0.00 0.00 -0.39 0.00 0.00 64.86 61.72 1rhy h ILE 161 Cb 1.12 2.75 -0.13 0.00 -3.07 0.00 0.00 36.82 37.49 1rhy h ILE 161 CO 0.90 0.81 0.25 0.00 -0.69 0.00 0.00 178.15 179.42 1rhy s ARG 162 N -2.54 1.19 0.00 2.37 1.70 -1.11 -4.98 118.95 115.59 1rhy s ARG 162 Ca -0.18 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1rhy s ARG 162 Cb 0.05 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 1rhy s ARG 162 CO 0.82 -0.51 0.00 0.41 -1.08 0.00 0.00 175.30 174.94 1rhy n GLY 163 N -0.23 2.74 0.72 3.88 0.00 -1.26 -1.25 105.19 109.79 1rhy n GLY 163 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1rhy n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rhy n GLU 164 N -0.66 0.00 -2.74 1.61 1.02 -1.26 -5.00 120.64 113.61 1rhy n GLU 164 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1rhy n GLU 164 Cb 0.00 -0.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 1rhy n GLU 164 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1rhy s ASN 165 N -4.58 7.05 0.49 1.62 3.84 -1.26 -4.88 114.94 117.22 1rhy s ASN 165 Ca 0.00 1.30 0.14 0.00 0.21 0.00 0.00 52.86 54.51 1rhy s ASN 165 Cb 0.00 -2.51 1.17 0.00 -0.55 0.00 0.00 41.25 39.36 1rhy s ASN 165 CO 0.00 -0.57 2.12 0.78 -2.79 0.00 0.00 177.10 176.64 1rhy h ASN 166 N 7.43 0.12 -0.42 -4.21 2.35 -1.97 -0.19 115.58 118.70 1rhy h ASN 166 Ca -0.23 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.41 1rhy h ASN 166 Cb 1.09 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1rhy h ASN 166 CO 0.92 0.09 -0.17 0.45 -1.65 0.00 0.00 177.43 177.07 1rhy h HIS 167 N 0.14 0.97 -0.37 1.19 3.86 -1.96 -1.58 115.15 117.40 1rhy h HIS 167 Ca 0.04 -0.23 -0.13 0.00 -1.16 0.00 0.00 60.37 58.89 1rhy h HIS 167 Cb 0.00 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1rhy h HIS 167 CO -0.00 1.00 -0.29 0.45 0.86 0.00 0.00 177.93 179.94 1rhy h HIS 168 N 0.67 0.94 -0.03 2.45 3.86 -1.60 0.32 115.15 121.75 1rhy h HIS 168 Ca 0.10 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1rhy h HIS 168 Cb 0.73 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 1rhy h HIS 168 CO 0.05 1.00 0.01 0.82 0.86 0.00 0.00 177.93 180.67 1rhy h ILE 169 N 0.68 1.15 0.07 2.45 2.04 -1.03 0.81 117.51 123.69 1rhy h ILE 169 Ca 0.08 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1rhy h ILE 169 Cb 0.83 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1rhy h ILE 169 CO 0.07 0.12 -0.09 0.00 0.00 0.00 0.00 178.15 178.25 1rhy h ALA 170 N 0.82 -0.16 -0.40 1.87 0.00 -1.17 -1.58 119.26 118.64 1rhy h ALA 170 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1rhy h ALA 170 Cb 0.19 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rhy h ALA 170 CO -0.00 -0.61 -0.15 1.49 0.00 0.00 0.00 179.25 179.98 1rhy h GLU 171 N -0.20 0.74 -0.28 0.00 4.81 -0.86 -2.02 114.58 116.77 1rhy h GLU 171 Ca 0.01 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 1rhy h GLU 171 Cb 0.20 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1rhy h GLU 171 CO -0.04 0.85 -0.16 0.66 -0.73 0.00 0.00 179.01 179.59 1rhy h SER 172 N 0.66 0.47 -0.27 1.04 4.64 -0.69 -0.80 113.55 118.60 1rhy h SER 172 Ca 0.11 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1rhy h SER 172 Cb 0.63 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1rhy h SER 172 CO 0.04 0.65 -0.10 0.00 -0.87 0.00 0.00 176.83 176.56 1rhy h ALA 173 N 1.40 0.38 -0.53 5.18 0.00 -0.95 -1.00 119.26 123.73 1rhy h ALA 173 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1rhy h ALA 173 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1rhy h ALA 173 CO 0.03 0.22 0.00 0.74 0.00 0.00 0.00 179.25 180.24 1rhy h PHE 174 N 0.29 0.97 -0.55 0.00 -1.00 -1.16 -0.72 116.94 114.77 1rhy h PHE 174 Ca 0.06 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.63 1rhy h PHE 174 Cb 0.59 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 1rhy h PHE 174 CO 0.06 0.88 0.08 0.87 -1.61 0.00 0.00 178.31 178.58 1rhy h LYS 175 N 0.83 0.91 -0.67 1.51 1.57 -1.03 -0.34 116.57 119.35 1rhy h LYS 175 Ca 0.16 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1rhy h LYS 175 Cb 0.49 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1rhy h LYS 175 CO 0.02 0.89 0.27 0.00 -0.57 0.00 0.00 179.45 180.06 1rhy h ALA 176 N 0.99 0.87 -0.90 3.86 0.00 -0.94 -0.52 119.26 122.62 1rhy h ALA 176 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rhy h ALA 176 Cb 0.42 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1rhy h ALA 176 CO 0.01 0.49 0.48 1.25 0.00 0.00 0.00 179.25 181.49 1rhy h LEU 177 N 0.95 1.13 -0.13 0.00 5.85 -0.92 -1.28 115.31 120.91 1rhy h LEU 177 Ca 0.22 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1rhy h LEU 177 Cb 0.20 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1rhy h LEU 177 CO -0.02 0.92 0.07 0.00 -0.34 0.00 0.00 178.44 179.07 1rhy h ALA 178 N 1.26 0.17 -0.51 1.25 0.00 -0.20 -0.43 119.26 120.81 1rhy h ALA 178 Ca 0.32 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1rhy h ALA 178 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1rhy h ALA 178 CO -0.05 -0.29 0.01 -0.07 0.00 0.00 0.00 179.25 178.85 1rhy h LEU 179 N 0.12 0.81 -0.29 0.00 3.38 -0.92 0.07 115.31 118.47 1rhy h LEU 179 Ca 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1rhy h LEU 179 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1rhy h LEU 179 CO -0.01 0.86 0.03 0.00 0.09 0.00 0.00 178.44 179.41 1rhy h ALA 180 N 1.23 0.38 -0.47 1.53 0.00 -1.06 -0.99 119.26 119.88 1rhy h ALA 180 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rhy h ALA 180 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1rhy h ALA 180 CO 0.02 0.09 0.29 0.82 0.00 0.00 0.00 179.25 180.47 1rhy h ILE 181 N 0.29 1.14 -0.55 0.00 2.04 -0.80 0.74 117.51 120.37 1rhy h ILE 181 Ca 0.08 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1rhy h ILE 181 Cb 0.38 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1rhy h ILE 181 CO 0.01 0.14 0.23 -0.09 0.00 0.00 0.00 178.15 178.45 1rhy h ARG 182 N 0.63 0.43 0.20 2.37 2.43 -0.66 0.76 114.38 120.54 1rhy h ARG 182 Ca 0.17 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1rhy h ARG 182 Cb -0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1rhy h ARG 182 CO -0.03 0.29 -0.09 1.98 -1.51 0.00 0.00 179.97 180.60 1rhy h MET 183 N 0.44 -0.26 -0.80 0.20 4.05 -0.76 -3.00 114.93 114.82 1rhy h MET 183 Ca 0.26 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1rhy h MET 183 Cb 0.24 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1rhy h MET 183 CO -0.23 -0.10 0.50 0.00 0.23 0.00 0.00 176.91 177.31 1rhy h ALA 184 N 0.43 1.38 -0.00 0.39 0.00 -0.18 -2.99 119.26 118.28 1rhy h ALA 184 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rhy h ALA 184 Cb 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rhy h ALA 184 CO 0.04 0.55 -0.31 0.44 0.00 0.00 0.00 179.25 179.98 1rhy n ILE 185 N -4.39 0.00 -1.91 0.00 -5.35 0.20 -1.04 119.36 106.87 1rhy n ILE 185 Ca 0.09 -0.01 -0.37 0.00 -0.27 0.00 0.00 62.75 62.19 1rhy n ILE 185 Cb 0.05 0.02 0.04 0.00 -1.74 0.00 0.00 39.64 38.02 1rhy n ILE 185 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1rhy s SER 186 N -2.91 5.02 0.00 7.28 1.04 -1.13 -4.71 113.70 118.29 1rhy s SER 186 Ca 0.15 2.51 0.09 0.00 0.48 0.00 0.00 55.95 59.17 1rhy s SER 186 Cb 0.18 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.76 1rhy s SER 186 CO 0.62 -1.71 0.77 0.54 0.98 0.00 0.00 173.24 174.44