#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rne s THR 0 N 0.00 2.13 -0.04 -0.44 2.01 0.25 -4.60 115.64 114.95 1rne s THR 0 Ca 0.00 -1.74 -0.01 0.00 0.31 0.00 0.00 61.69 60.24 1rne s THR 0 Cb 0.00 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.63 1rne s THR 0 CO 0.00 0.02 0.06 -0.89 -0.69 0.00 0.00 174.62 173.12 1rne s THR 1 N -1.17 -0.10 0.08 -0.82 2.01 -1.26 0.46 115.64 114.83 1rne s THR 1 Ca 0.13 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.55 1rne s THR 1 Cb -0.10 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1rne s THR 1 CO 0.06 0.14 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.47 1rne s SER 2 N 1.77 2.63 0.04 3.53 0.01 -0.98 -4.97 113.70 115.73 1rne s SER 2 Ca -0.01 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.70 1rne s SER 2 Cb -0.12 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1rne s SER 2 CO -0.03 0.12 -0.18 -0.94 0.41 0.00 0.00 173.24 172.61 1rne s SER 3 N -1.61 3.78 -0.19 2.44 1.04 -1.26 0.85 113.70 118.75 1rne s SER 3 Ca 0.08 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1rne s SER 3 Cb -0.10 -0.61 0.04 0.00 0.10 0.00 0.00 66.02 65.46 1rne s SER 3 CO 0.03 0.26 -0.07 -0.69 0.98 0.00 0.00 173.24 173.75 1rne s VAL 4 N -0.92 1.36 -0.02 5.02 1.01 0.11 -4.76 120.40 122.20 1rne s VAL 4 Ca 0.14 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1rne s VAL 4 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1rne s VAL 4 CO 0.05 0.11 1.14 -0.63 0.00 0.00 0.00 175.10 175.77 1rne s ILE 5 N 1.51 4.35 0.25 2.22 1.01 -1.26 -0.30 121.20 128.98 1rne s ILE 5 Ca -0.01 1.68 0.08 0.00 0.00 0.00 0.00 60.65 62.40 1rne s ILE 5 Cb -0.16 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1rne s ILE 5 CO -0.08 0.06 0.13 -0.76 0.00 0.00 0.00 174.94 174.29 1rne s LEU 6 N 1.67 3.62 -0.15 2.97 1.43 -0.42 -4.52 118.68 123.28 1rne s LEU 6 Ca 0.55 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1rne s LEU 6 Cb -0.25 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1rne s LEU 6 CO 0.24 -0.01 -0.07 -0.89 0.23 0.00 0.00 176.35 175.85 1rne s THR 7 N -2.14 3.54 -0.26 5.49 2.01 0.38 -1.85 115.64 122.80 1rne s THR 7 Ca 0.32 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1rne s THR 7 Cb -0.08 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1rne s THR 7 CO 0.23 0.50 0.31 0.21 -0.69 0.00 0.00 174.62 175.19 1rne s ASN 8 N 0.43 6.20 -0.39 3.53 3.84 -1.26 -1.86 114.94 125.43 1rne s ASN 8 Ca -0.06 0.22 -0.06 0.00 0.21 0.00 0.00 52.86 53.17 1rne s ASN 8 Cb -0.15 -2.18 0.08 0.00 -0.55 0.00 0.00 41.25 38.45 1rne s ASN 8 CO 0.04 -0.12 0.18 -0.47 -2.79 0.00 0.00 177.10 173.94 1rne s TYR 9 N 1.86 3.40 -1.05 0.43 5.04 0.11 -4.72 117.35 122.41 1rne s TYR 9 Ca 0.13 -1.88 0.00 0.00 -2.44 0.00 0.00 57.07 52.88 1rne s TYR 9 Cb -0.16 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1rne s TYR 9 CO 0.10 -0.88 0.00 -1.33 -1.34 0.00 0.00 175.55 172.10 1rne n MET 10 N 4.75 -2.20 -1.08 4.97 2.81 -1.26 -1.29 117.12 123.82 1rne n MET 10 Ca -0.08 0.59 -0.03 0.00 -1.81 0.00 0.00 57.70 56.38 1rne n MET 10 Cb 0.43 -5.18 -0.01 0.00 -0.71 0.00 0.00 33.22 27.75 1rne n MET 10 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rne n ASP 11 N -1.74 -5.13 0.00 7.83 9.92 -1.26 -4.75 116.55 121.42 1rne n ASP 11 Ca -0.14 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1rne n ASP 11 Cb 0.60 -2.86 0.00 0.00 -0.64 0.00 0.00 41.12 38.22 1rne n ASP 11 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1rne n THR 12 N -2.32 0.00 -3.65 -3.53 -2.24 -0.41 -4.86 114.28 97.27 1rne n THR 12 Ca -0.03 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 1rne n THR 12 Cb 0.39 0.86 -0.17 0.00 -2.10 0.00 0.00 70.33 69.31 1rne n THR 12 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1rne s GLN 13 N -0.90 -0.02 -0.31 -0.78 -0.21 -0.79 -4.54 119.66 112.12 1rne s GLN 13 Ca 0.00 0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.66 1rne s GLN 13 Cb 0.00 -0.80 0.05 0.00 1.00 0.00 0.00 33.01 33.26 1rne s GLN 13 CO 0.00 -0.41 0.01 0.71 -2.12 0.00 0.00 175.29 173.48 1rne s TYR 14 N 2.19 3.28 0.12 0.91 1.51 -1.26 0.05 117.35 124.16 1rne s TYR 14 Ca 0.04 -1.87 0.05 0.00 -1.01 0.00 0.00 57.07 54.28 1rne s TYR 14 Cb -0.13 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1rne s TYR 14 CO -0.05 -0.81 -0.12 1.52 -1.11 0.00 0.00 175.55 174.99 1rne s TYR 15 N 1.25 1.26 0.22 2.71 1.13 -0.78 -4.47 117.35 118.68 1rne s TYR 15 Ca -0.05 -0.64 0.04 0.00 -1.41 0.00 0.00 57.07 55.00 1rne s TYR 15 Cb -0.20 -0.66 -0.01 0.00 -1.10 0.00 0.00 41.96 39.99 1rne s TYR 15 CO -0.01 0.09 0.13 0.41 -2.51 0.00 0.00 175.55 173.66 1rne n GLY 16 N 0.30 3.47 3.44 5.49 0.00 -0.49 -0.47 105.19 116.93 1rne n GLY 16 Ca -0.14 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 1rne n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rne s GLU 17 N -2.85 2.05 0.15 1.61 2.02 -1.26 -0.17 118.70 120.24 1rne s GLU 17 Ca 0.18 -0.99 0.04 0.00 0.02 0.00 0.00 54.97 54.22 1rne s GLU 17 Cb 0.01 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1rne s GLU 17 CO 0.13 0.54 -0.08 0.96 0.02 0.00 0.00 175.26 176.83 1rne s ILE 18 N -0.90 1.05 -0.05 -1.63 -4.36 -0.66 -4.63 121.20 110.03 1rne s ILE 18 Ca 0.14 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1rne s ILE 18 Cb -0.10 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.70 1rne s ILE 18 CO 0.05 -0.70 -0.22 -0.83 0.24 0.00 0.00 174.94 173.48 1rne s GLY 19 N -3.16 1.14 -0.03 6.27 0.00 -0.63 -1.63 107.32 109.28 1rne s GLY 19 Ca 0.18 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 44.05 1rne s GLY 19 CO 0.01 -0.50 -0.17 -0.42 0.00 0.00 0.00 173.10 172.02 1rne s ILE 20 N -0.04 1.39 0.00 0.90 1.01 0.69 -0.73 121.20 124.43 1rne s ILE 20 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1rne s ILE 20 Cb -0.13 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1rne s ILE 20 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1rne n GLY 21 N 2.95 -0.80 2.69 6.18 0.00 0.18 -0.29 105.19 116.11 1rne n GLY 21 Ca -0.17 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1rne n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rne s THR 22 N -1.10 0.15 0.72 2.61 2.01 -1.26 -2.78 115.64 115.98 1rne s THR 22 Ca 0.00 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1rne s THR 22 Cb 0.00 -0.57 0.04 0.00 0.01 0.00 0.00 72.50 71.97 1rne s THR 22 CO 0.00 -0.04 1.17 -2.16 -0.69 0.00 0.00 174.62 172.91 1rne s PRO 23 N 2.04 2.26 0.40 4.92 0.04 -1.26 -1.65 135.00 141.75 1rne s PRO 23 Ca 0.03 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 1rne s PRO 23 Cb -0.14 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1rne s PRO 23 CO -0.07 -1.72 1.48 -0.35 0.04 0.00 0.00 177.00 176.39 1rne n PRO 24 N -2.74 2.57 -4.07 0.56 -0.05 -1.12 -4.89 135.00 125.27 1rne n PRO 24 Ca 0.12 0.91 -0.35 0.00 -0.05 0.00 0.00 63.50 64.13 1rne n PRO 24 Cb 0.51 -2.67 -0.14 0.00 -0.05 0.00 0.00 33.50 31.15 1rne n PRO 24 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 1rne s GLN 25 N -2.21 3.42 -0.10 0.54 -0.21 0.61 -4.79 119.66 116.92 1rne s GLN 25 Ca 0.55 -0.61 -0.17 0.00 0.02 0.00 0.00 55.36 55.15 1rne s GLN 25 Cb -0.47 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 1rne s GLN 25 CO 0.62 -0.09 0.43 0.95 -2.12 0.00 0.00 175.29 175.08 1rne s THR 26 N 1.21 5.17 0.07 -0.19 -4.23 -1.26 -0.22 115.64 116.20 1rne s THR 26 Ca 0.03 0.87 0.04 0.00 -1.18 0.00 0.00 61.69 61.45 1rne s THR 26 Cb -0.14 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 1rne s THR 26 CO -0.01 0.38 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.97 1rne s PHE 27 N 0.28 1.06 -0.20 3.99 0.08 -0.65 -4.99 117.98 117.55 1rne s PHE 27 Ca 0.24 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.69 1rne s PHE 27 Cb -0.15 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1rne s PHE 27 CO 0.10 0.02 0.10 0.15 -0.10 0.00 0.00 175.22 175.48 1rne s LYS 28 N -1.91 4.04 0.05 0.44 1.02 -1.26 -1.65 119.74 120.47 1rne s LYS 28 Ca -0.02 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1rne s LYS 28 Cb -0.09 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1rne s LYS 28 CO 0.01 0.22 -0.04 0.14 -0.92 0.00 0.00 175.35 174.76 1rne s VAL 29 N 0.57 0.35 0.09 3.17 -7.23 0.76 -0.20 120.40 117.91 1rne s VAL 29 Ca 0.05 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1rne s VAL 29 Cb -0.12 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.62 1rne s VAL 29 CO 0.01 -0.77 0.41 -0.69 -0.31 0.00 0.00 175.10 173.75 1rne s VAL 30 N -2.92 5.08 -0.38 1.32 1.01 -0.58 -1.40 120.40 122.53 1rne s VAL 30 Ca 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 1rne s VAL 30 Cb 0.01 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1rne s VAL 30 CO -0.05 0.25 0.21 -0.36 0.00 0.00 0.00 175.10 175.15 1rne s PHE 31 N -1.44 3.26 -0.29 5.22 0.08 -1.26 -1.72 117.98 121.83 1rne s PHE 31 Ca 0.34 -1.08 -0.09 0.00 0.12 0.00 0.00 56.93 56.22 1rne s PHE 31 Cb -0.14 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 1rne s PHE 31 CO 0.19 -0.69 0.14 0.34 -0.10 0.00 0.00 175.22 175.10 1rne s ASP 32 N 1.64 5.54 0.00 1.36 2.15 -0.98 -4.22 116.67 122.16 1rne s ASP 32 Ca 0.02 -0.34 0.17 0.00 0.43 0.00 0.00 52.55 52.83 1rne s ASP 32 Cb -0.20 -2.01 1.01 0.00 -0.30 0.00 0.00 42.92 41.42 1rne s ASP 32 CO 0.06 -0.13 1.62 0.35 -0.17 0.00 0.00 175.17 176.90 1rne n THR 33 N 4.98 0.00 1.09 1.71 -2.24 -1.26 -0.54 114.28 118.02 1rne n THR 33 Ca -0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1rne n THR 33 Cb 0.50 -0.29 0.17 0.00 -2.10 0.00 0.00 70.33 68.61 1rne n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rne n GLY 34 N 0.72 0.73 3.51 3.38 0.00 -1.26 -4.43 105.19 107.84 1rne n GLY 34 Ca 0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1rne n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rne s SER 35 N -2.04 0.62 0.00 1.61 1.04 -1.18 -4.99 113.70 108.75 1rne s SER 35 Ca 0.29 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1rne s SER 35 Cb 0.20 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1rne s SER 35 CO 0.33 -1.26 0.26 -1.20 0.98 0.00 0.00 173.24 172.35 1rne n SER 36 N -1.13 0.46 -4.95 7.02 7.64 -1.26 -0.84 113.62 120.55 1rne n SER 36 Ca -0.00 -1.04 -0.23 0.00 1.01 0.00 0.00 58.87 58.60 1rne n SER 36 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1rne n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1rne s ASN 37 N -0.04 6.04 -0.10 6.43 -0.87 -1.26 -4.41 114.94 120.73 1rne s ASN 37 Ca 0.00 0.32 -0.01 0.00 -1.57 0.00 0.00 52.86 51.61 1rne s ASN 37 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.25 39.47 1rne s ASN 37 CO 0.00 -0.51 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.27 1rne s VAL 38 N -2.43 3.68 0.07 1.60 1.01 -1.26 -0.55 120.40 122.53 1rne s VAL 38 Ca 0.44 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1rne s VAL 38 Cb -0.10 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1rne s VAL 38 CO 0.37 0.56 0.42 -1.66 0.00 0.00 0.00 175.10 174.78 1rne s TRP 39 N -0.34 -0.26 0.17 5.22 1.48 -0.49 -0.05 118.94 124.67 1rne s TRP 39 Ca 0.05 0.15 -0.14 0.00 -1.06 0.00 0.00 56.10 55.10 1rne s TRP 39 Cb -0.12 0.24 0.01 0.00 -1.16 0.00 0.00 33.47 32.44 1rne s TRP 39 CO 0.02 -0.62 0.39 0.14 -4.06 0.00 0.00 176.95 172.83 1rne s VAL 40 N -2.87 0.06 0.40 -0.66 -7.23 -1.01 -2.73 120.40 106.35 1rne s VAL 40 Ca -0.03 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.92 1rne s VAL 40 Cb 0.00 -1.59 -0.10 0.00 0.56 0.00 0.00 36.38 35.24 1rne s VAL 40 CO -0.05 -0.25 0.96 -2.84 -0.31 0.00 0.00 175.10 172.60 1rne s PRO 41 N -3.90 4.32 0.22 4.82 0.02 -1.26 -1.15 135.00 138.08 1rne s PRO 41 Ca 0.11 1.20 0.02 0.00 0.02 0.00 0.00 61.00 62.35 1rne s PRO 41 Cb 0.01 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 32.13 1rne s PRO 41 CO -0.04 0.04 0.38 0.45 -0.33 0.00 0.00 177.00 177.50 1rne s SER 42 N -1.98 6.34 0.38 2.53 0.15 -0.67 0.10 113.70 120.55 1rne s SER 42 Ca 0.59 0.23 0.13 0.00 0.70 0.00 0.00 55.95 57.60 1rne s SER 42 Cb -0.13 -1.94 0.77 0.00 -1.71 0.00 0.00 66.02 63.02 1rne s SER 42 CO 0.17 -0.07 1.85 0.28 1.20 0.00 0.00 173.24 176.68 1rne h SER 43 N 1.54 0.00 0.00 5.45 0.02 -1.49 -2.51 113.55 116.56 1rne h SER 43 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1rne h SER 43 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1rne h SER 43 CO 0.65 0.34 0.00 0.29 -1.14 0.00 0.00 176.83 176.96 1rne n LYS 44 N -4.13 0.86 -2.92 3.45 4.01 -1.26 -4.82 118.16 113.35 1rne n LYS 44 Ca -0.02 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.38 1rne n LYS 44 Cb 0.38 -1.01 -0.04 0.00 -0.51 0.00 0.00 35.03 33.85 1rne n LYS 44 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rne s SER 46 N 0.74 7.52 0.07 0.00 0.15 -1.26 -4.88 113.70 116.03 1rne s SER 46 Ca 0.43 1.90 0.09 0.00 0.70 0.00 0.00 55.95 59.06 1rne s SER 46 Cb -0.19 -2.60 0.41 0.00 -1.71 0.00 0.00 66.02 61.93 1rne s SER 46 CO 0.22 0.07 1.27 0.54 1.20 0.00 0.00 173.24 176.54 1rne n ARG 47 N 1.10 0.04 0.00 5.44 3.00 -1.26 -0.41 116.66 124.57 1rne n ARG 47 Ca -0.00 0.46 0.00 0.00 -0.01 0.00 0.00 57.85 58.29 1rne n ARG 47 Cb 0.48 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.34 1rne n ARG 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1rne n LEU 47 N -1.67 0.73 -3.37 0.55 7.99 -1.26 -3.87 117.00 116.09 1rne n LEU 47 Ca 0.01 -0.36 -0.14 0.00 -0.01 0.00 0.00 56.01 55.50 1rne n LEU 47 Cb 0.06 -0.36 -0.08 0.00 -0.11 0.00 0.00 43.42 42.93 1rne n LEU 47 CO 0.06 0.18 -0.14 -0.31 -1.51 0.00 0.00 177.39 175.68 1rne s TYR 47 N -1.16 -0.65 0.29 -1.77 2.02 0.45 -5.08 117.35 111.44 1rne s TYR 47 Ca 0.00 0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1rne s TYR 47 Cb 0.00 -0.33 0.40 0.00 -0.40 0.00 0.00 41.96 41.63 1rne s TYR 47 CO 0.00 -0.92 1.95 1.15 -1.57 0.00 0.00 175.55 176.17 1rne h THR 48 N 6.23 1.21 -0.87 -0.71 2.02 -1.81 -2.29 112.91 116.69 1rne h THR 48 Ca -0.12 -0.41 0.12 0.00 0.77 0.00 0.00 66.41 66.77 1rne h THR 48 Cb 1.10 -0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 1rne h THR 48 CO 0.31 0.22 0.49 0.00 0.37 0.00 0.00 175.52 176.91 1rne h ALA 49 N 1.45 1.28 0.00 6.16 0.00 -1.89 0.36 119.26 126.63 1rne h ALA 49 Ca 0.33 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1rne h ALA 49 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1rne h ALA 49 CO -0.08 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.15 1rne h VAL 51 N 0.00 0.53 -0.48 0.00 2.07 -0.27 -3.33 116.25 114.76 1rne h VAL 51 Ca -0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1rne h VAL 51 Cb 0.38 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1rne h VAL 51 CO 0.01 0.30 0.00 -1.22 0.02 0.00 0.00 177.57 176.68 1rne n TYR 52 N -3.15 0.63 -4.29 1.57 4.01 -0.88 -5.00 117.16 110.05 1rne n TYR 52 Ca 0.02 -0.38 -0.17 0.00 -0.16 0.00 0.00 57.90 57.22 1rne n TYR 52 Cb 0.66 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.59 1rne n TYR 52 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1rne s HIS 53 N -1.16 1.49 0.22 -0.72 3.76 -1.01 -5.08 115.29 112.78 1rne s HIS 53 Ca 0.37 -0.65 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 1rne s HIS 53 Cb 0.20 -0.72 -0.09 0.00 1.11 0.00 0.00 32.58 33.08 1rne s HIS 53 CO 0.27 0.22 1.29 0.21 -0.85 0.00 0.00 174.74 175.88 1rne s LYS 54 N -3.57 4.41 -0.09 1.40 2.20 -1.26 -4.90 119.74 117.93 1rne s LYS 54 Ca 0.18 2.05 0.03 0.00 -0.36 0.00 0.00 55.97 57.87 1rne s LYS 54 Cb 0.00 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1rne s LYS 54 CO 0.04 -0.21 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.15 1rne s LEU 55 N -0.40 2.56 -0.10 5.43 1.43 -1.26 -4.18 118.68 122.16 1rne s LEU 55 Ca 0.55 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1rne s LEU 55 Cb -0.36 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1rne s LEU 55 CO 0.40 0.24 1.06 0.12 0.23 0.00 0.00 176.35 178.40 1rne s PHE 56 N -0.10 3.41 -0.66 0.29 5.36 0.29 -4.70 117.98 121.87 1rne s PHE 56 Ca -0.03 1.48 -0.16 0.00 -0.96 0.00 0.00 56.93 57.27 1rne s PHE 56 Cb -0.14 -3.26 0.16 0.00 -0.34 0.00 0.00 43.02 39.44 1rne s PHE 56 CO 0.04 -0.54 0.63 0.34 -1.46 0.00 0.00 175.22 174.24 1rne s ASP 57 N 1.21 6.40 0.25 6.13 -1.08 -1.26 -1.35 116.67 126.97 1rne s ASP 57 Ca 0.50 -2.06 -0.05 0.00 -0.52 0.00 0.00 52.55 50.42 1rne s ASP 57 Cb -0.20 -2.23 0.33 0.00 -1.46 0.00 0.00 42.92 39.37 1rne s ASP 57 CO 0.18 -0.80 1.88 0.00 0.52 0.00 0.00 175.17 176.96 1rne h ALA 58 N 8.55 1.27 0.00 3.66 0.00 -1.96 -0.23 119.26 130.55 1rne h ALA 58 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rne h ALA 58 Cb 1.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1rne h ALA 58 CO 0.95 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 179.51 1rne n SER 59 N -4.51 0.00 -1.20 0.00 3.41 -1.26 -0.85 113.62 109.21 1rne n SER 59 Ca 0.13 0.29 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1rne n SER 59 Cb 0.13 -0.30 0.28 0.00 -0.26 0.00 0.00 64.21 64.07 1rne n SER 59 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rne n ASP 60 N -1.30 4.03 -4.19 4.04 8.00 -0.10 -4.91 116.55 122.14 1rne n ASP 60 Ca 0.00 -2.34 -0.28 0.00 0.71 0.00 0.00 54.79 52.88 1rne n ASP 60 Cb 0.01 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 1rne n ASP 60 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rne s SER 61 N -1.10 2.48 0.20 -2.24 0.15 -0.03 -4.29 113.70 108.87 1rne s SER 61 Ca 0.42 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.76 1rne s SER 61 Cb 0.26 -0.64 0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1rne s SER 61 CO 0.21 0.19 1.43 0.28 1.20 0.00 0.00 173.24 176.56 1rne h SER 62 N 6.11 0.00 0.84 5.45 0.02 -1.61 -3.24 113.55 121.13 1rne h SER 62 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1rne h SER 62 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1rne h SER 62 CO 0.48 0.81 -0.38 -1.54 -1.14 0.00 0.00 176.83 175.05 1rne n SER 63 N -3.53 0.51 -4.68 3.07 3.41 -1.26 -4.93 113.62 106.21 1rne n SER 63 Ca -0.00 0.13 -0.44 0.00 -0.26 0.00 0.00 58.87 58.29 1rne n SER 63 Cb 0.79 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1rne n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rne n TYR 64 N -1.80 2.25 -3.75 7.33 9.36 -1.22 -4.60 117.16 124.73 1rne n TYR 64 Ca 0.05 0.41 -0.26 0.00 3.32 0.00 0.00 57.90 61.42 1rne n TYR 64 Cb 0.38 -2.48 -0.17 0.00 -0.63 0.00 0.00 39.34 36.45 1rne n TYR 64 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1rne s LYS 65 N -0.42 0.64 0.35 2.98 2.36 0.35 -5.00 119.74 121.00 1rne s LYS 65 Ca 0.68 -0.24 -0.28 0.00 -2.55 0.00 0.00 55.97 53.57 1rne s LYS 65 Cb -0.63 -1.74 -0.10 0.00 -1.05 0.00 0.00 37.83 34.30 1rne s LYS 65 CO 0.49 -0.53 1.37 -1.58 1.55 0.00 0.00 175.35 176.65 1rne s HIS 66 N 1.90 2.88 0.05 4.03 5.65 -1.26 -1.45 115.29 127.09 1rne s HIS 66 Ca 0.01 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.65 1rne s HIS 66 Cb -0.15 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 1rne s HIS 66 CO -0.07 -2.25 0.00 -1.71 -0.65 0.00 0.00 174.74 170.06 1rne n ASN 67 N 0.65 0.13 0.00 9.88 2.85 -1.25 -4.88 115.26 122.64 1rne n ASN 67 Ca 0.00 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1rne n ASN 67 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1rne n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rne n GLY 68 N 2.58 1.40 3.74 8.20 0.00 0.13 -4.99 105.19 116.26 1rne n GLY 68 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1rne n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rne s THR 69 N -3.17 2.40 0.73 2.61 -4.23 -1.26 -4.55 115.64 108.16 1rne s THR 69 Ca 0.00 0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 60.68 1rne s THR 69 Cb 0.00 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1rne s THR 69 CO 0.00 0.04 1.21 -1.61 -0.54 0.00 0.00 174.62 173.72 1rne s GLU 70 N -0.03 2.17 -0.12 3.99 8.01 -1.26 -0.05 118.70 131.40 1rne s GLU 70 Ca 0.64 1.75 -0.07 0.00 0.01 0.00 0.00 54.97 57.30 1rne s GLU 70 Cb -0.45 -1.84 0.05 0.00 -4.31 0.00 0.00 34.13 27.58 1rne s GLU 70 CO 0.42 -1.81 0.30 -1.17 0.01 0.00 0.00 175.26 173.00 1rne s LEU 71 N -5.12 0.35 -0.10 1.80 2.96 0.12 -4.74 118.68 113.95 1rne s LEU 71 Ca 0.74 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1rne s LEU 71 Cb -0.29 0.94 0.02 0.00 0.50 0.00 0.00 46.19 47.36 1rne s LEU 71 CO 0.45 -0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.29 1rne s THR 72 N 1.12 1.35 -0.26 3.68 2.01 -1.26 -0.97 115.64 121.31 1rne s THR 72 Ca -0.08 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1rne s THR 72 Cb -0.08 -1.25 0.06 0.00 0.01 0.00 0.00 72.50 71.24 1rne s THR 72 CO -0.08 0.41 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.43 1rne s LEU 73 N 1.06 3.15 -0.40 4.42 1.43 0.55 -4.98 118.68 123.91 1rne s LEU 73 Ca -0.06 -1.38 -0.21 0.00 -1.03 0.00 0.00 54.13 51.45 1rne s LEU 73 Cb -0.15 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1rne s LEU 73 CO -0.02 -0.23 0.68 -0.13 0.23 0.00 0.00 176.35 176.88 1rne s ARG 74 N 1.22 3.50 0.51 1.70 0.52 -1.26 -0.38 118.95 124.77 1rne s ARG 74 Ca -0.05 -0.09 0.09 0.00 -0.52 0.00 0.00 55.73 55.15 1rne s ARG 74 Cb -0.19 -3.88 0.05 0.00 0.52 0.00 0.00 34.95 31.45 1rne s ARG 74 CO -0.06 -0.91 0.65 0.71 0.02 0.00 0.00 175.30 175.71 1rne s TYR 75 N 2.90 1.96 0.25 -0.53 2.02 1.00 -4.98 117.35 119.97 1rne s TYR 75 Ca 0.26 -0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1rne s TYR 75 Cb -0.14 -2.23 0.40 0.00 -0.40 0.00 0.00 41.96 39.60 1rne s TYR 75 CO 0.18 -0.78 1.83 0.77 -1.57 0.00 0.00 175.55 175.98 1rne h SER 76 N 0.44 0.80 -3.58 2.29 0.02 -1.99 -3.35 113.55 108.18 1rne h SER 76 Ca -0.34 0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 60.03 1rne h SER 76 Cb 1.29 -0.13 -0.39 0.00 0.14 0.00 0.00 62.40 63.31 1rne h SER 76 CO 0.45 0.47 -0.78 0.42 -1.14 0.00 0.00 176.83 176.26 1rne s THR 77 N -6.03 1.50 0.00 -2.27 -4.23 -1.26 -5.05 115.64 98.30 1rne s THR 77 Ca -0.12 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1rne s THR 77 Cb 0.20 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1rne s THR 77 CO 0.79 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 1rne n GLY 78 N 4.66 2.16 3.02 3.99 0.00 -1.26 -4.83 105.19 112.94 1rne n GLY 78 Ca -0.10 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 1rne n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rne s THR 79 N -0.81 0.98 0.05 2.61 2.01 -1.26 -0.00 115.64 119.22 1rne s THR 79 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1rne s THR 79 Cb 0.00 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1rne s THR 79 CO 0.00 0.30 -0.12 0.68 -0.69 0.00 0.00 174.62 174.79 1rne s VAL 80 N 0.35 0.95 0.03 3.82 -7.23 0.49 -4.43 120.40 114.38 1rne s VAL 80 Ca -0.07 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 1rne s VAL 80 Cb -0.12 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1rne s VAL 80 CO 0.02 -0.19 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.13 1rne s SER 81 N -1.48 0.49 0.00 4.85 0.01 -1.07 0.20 113.70 116.71 1rne s SER 81 Ca -0.03 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1rne s SER 81 Cb -0.09 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1rne s SER 81 CO 0.01 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1rne n GLY 82 N 1.34 -0.63 3.20 3.44 0.00 -0.15 0.36 105.19 112.75 1rne n GLY 82 Ca -0.22 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 1rne n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rne s PHE 83 N -3.56 1.15 0.39 1.61 -0.71 -0.85 0.12 117.98 116.13 1rne s PHE 83 Ca 0.00 -0.64 -0.25 0.00 -1.04 0.00 0.00 56.93 55.00 1rne s PHE 83 Cb 0.00 -0.62 -0.09 0.00 -1.21 0.00 0.00 43.02 41.10 1rne s PHE 83 CO 0.00 0.04 1.11 -1.17 -1.34 0.00 0.00 175.22 173.86 1rne s LEU 84 N -2.48 4.21 0.12 -1.99 2.96 0.92 -0.64 118.68 121.78 1rne s LEU 84 Ca 0.07 2.21 -0.16 0.00 -0.22 0.00 0.00 54.13 56.03 1rne s LEU 84 Cb -0.03 -4.04 0.03 0.00 0.50 0.00 0.00 46.19 42.65 1rne s LEU 84 CO 0.01 -0.54 0.39 -0.94 -1.32 0.00 0.00 176.35 173.94 1rne s SER 85 N -1.28 -0.21 -0.02 3.68 1.04 0.61 -0.69 113.70 116.82 1rne s SER 85 Ca 0.56 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1rne s SER 85 Cb -0.27 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1rne s SER 85 CO 0.34 -0.85 -0.16 -1.58 0.98 0.00 0.00 173.24 171.97 1rne s GLN 86 N -3.81 1.49 0.20 4.02 0.74 -0.53 0.89 119.66 122.66 1rne s GLN 86 Ca 0.03 -0.59 -0.21 0.00 0.05 0.00 0.00 55.36 54.64 1rne s GLN 86 Cb 0.02 -1.38 0.08 0.00 1.10 0.00 0.00 33.01 32.83 1rne s GLN 86 CO -0.12 0.30 1.02 0.34 -0.55 0.00 0.00 175.29 176.29 1rne s ASP 87 N -0.20 0.02 0.05 6.67 -1.08 -0.86 -0.49 116.67 120.77 1rne s ASP 87 Ca 0.02 -0.74 -0.16 0.00 -0.52 0.00 0.00 52.55 51.15 1rne s ASP 87 Cb -0.08 0.53 -0.06 0.00 -1.46 0.00 0.00 42.92 41.84 1rne s ASP 87 CO 0.00 -1.06 0.48 0.27 0.52 0.00 0.00 175.17 175.39 1rne s ILE 88 N -2.08 4.90 -0.01 4.11 -4.36 -1.26 -0.66 121.20 121.85 1rne s ILE 88 Ca 0.22 0.95 0.06 0.00 -0.26 0.00 0.00 60.65 61.63 1rne s ILE 88 Cb -0.03 -3.78 -0.02 0.00 1.25 0.00 0.00 42.46 39.88 1rne s ILE 88 CO 0.06 0.51 -0.19 -0.63 0.24 0.00 0.00 174.94 174.93 1rne s ILE 89 N -1.16 1.50 -0.08 8.37 1.01 0.21 -0.64 121.20 130.41 1rne s ILE 89 Ca 0.28 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1rne s ILE 89 Cb -0.17 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1rne s ILE 89 CO 0.16 0.38 -0.13 -0.89 0.00 0.00 0.00 174.94 174.47 1rne s THR 90 N -0.50 1.28 -0.05 2.92 2.01 0.10 -1.27 115.64 120.12 1rne s THR 90 Ca 0.07 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1rne s THR 90 Cb -0.07 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1rne s THR 90 CO -0.00 0.39 -0.04 0.54 -0.69 0.00 0.00 174.62 174.82 1rne s VAL 91 N 0.84 0.52 -1.34 3.82 0.11 -0.81 -1.60 120.40 121.93 1rne s VAL 91 Ca -0.11 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1rne s VAL 91 Cb -0.15 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1rne s VAL 91 CO 0.01 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1rne n GLY 92 N 4.15 1.28 1.61 6.54 0.00 -1.26 -2.29 105.19 115.22 1rne n GLY 92 Ca -0.23 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1rne n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rne n GLY 93 N -1.39 0.81 3.33 -0.02 0.00 -1.26 -4.68 105.19 101.98 1rne n GLY 93 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1rne n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rne s ILE 94 N -3.04 3.44 -0.21 -0.61 1.01 -0.97 -5.11 121.20 115.70 1rne s ILE 94 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1rne s ILE 94 Cb 0.00 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1rne s ILE 94 CO 0.00 0.42 0.17 -0.89 0.00 0.00 0.00 174.94 174.64 1rne s THR 95 N 1.43 5.37 0.16 2.92 2.01 -1.26 -1.93 115.64 124.33 1rne s THR 95 Ca 0.05 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1rne s THR 95 Cb -0.14 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1rne s THR 95 CO -0.02 0.39 -0.08 0.68 -0.69 0.00 0.00 174.62 174.90 1rne s VAL 96 N 0.70 1.06 -0.38 3.82 -7.23 -0.40 -4.97 120.40 113.01 1rne s VAL 96 Ca 0.09 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 1rne s VAL 96 Cb -0.12 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.90 1rne s VAL 96 CO 0.02 -0.68 0.35 -0.89 -0.31 0.00 0.00 175.10 173.59 1rne s THR 97 N -3.40 5.18 0.08 5.32 2.01 -1.26 -0.62 115.64 122.95 1rne s THR 97 Ca 0.18 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1rne s THR 97 Cb 0.04 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1rne s THR 97 CO 0.01 -0.21 -0.20 -1.58 -0.69 0.00 0.00 174.62 171.95 1rne s GLN 99 N 1.93 1.21 -0.23 4.92 2.00 0.16 -4.96 119.66 124.70 1rne s GLN 99 Ca 0.10 -1.06 -0.21 0.00 -2.00 0.00 0.00 55.36 52.19 1rne s GLN 99 Cb -0.17 -1.40 -0.02 0.00 0.80 0.00 0.00 33.01 32.21 1rne s GLN 99 CO 0.12 0.34 0.63 1.41 -0.50 0.00 0.00 175.29 177.29 1rne s MET 100 N -1.60 4.15 0.11 1.67 -2.45 -1.26 -2.04 119.30 117.89 1rne s MET 100 Ca 0.06 0.58 0.02 0.00 -1.25 0.00 0.00 55.69 55.11 1rne s MET 100 Cb -0.09 -3.62 -0.04 0.00 1.25 0.00 0.00 34.83 32.32 1rne s MET 100 CO 0.03 -0.35 -0.06 -0.59 1.05 0.00 0.00 175.02 175.10 1rne s PHE 101 N 2.30 0.96 0.03 4.11 -0.71 0.26 -4.68 117.98 120.25 1rne s PHE 101 Ca 0.27 -0.92 -0.14 0.00 -1.04 0.00 0.00 56.93 55.10 1rne s PHE 101 Cb -0.16 -0.55 -0.06 0.00 -1.21 0.00 0.00 43.02 41.05 1rne s PHE 101 CO 0.09 -0.14 0.44 0.20 -1.34 0.00 0.00 175.22 174.47 1rne s GLY 102 N -3.07 2.48 -0.43 1.99 0.00 0.93 -0.28 107.32 108.93 1rne s GLY 102 Ca 0.14 -0.21 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 1rne s GLY 102 CO -0.03 0.13 0.33 -0.54 0.00 0.00 0.00 173.10 172.99 1rne s GLU 103 N -1.30 2.97 0.04 2.90 2.02 0.18 -2.41 118.70 123.11 1rne s GLU 103 Ca 0.27 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 1rne s GLU 103 Cb -0.16 -4.02 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 1rne s GLU 103 CO 0.15 -0.84 1.14 0.08 0.02 0.00 0.00 175.26 175.80 1rne s VAL 104 N 1.66 4.28 0.00 2.63 1.01 -0.30 -2.01 120.40 127.66 1rne s VAL 104 Ca 0.05 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1rne s VAL 104 Cb -0.21 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1rne s VAL 104 CO 0.09 0.13 0.49 0.35 0.00 0.00 0.00 175.10 176.15 1rne n THR 105 N 3.93 0.00 -3.67 3.92 -2.24 0.16 -1.67 114.28 114.71 1rne n THR 105 Ca 0.08 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1rne n THR 105 Cb 0.48 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.54 1rne n THR 105 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rne s GLU 106 N -0.02 0.22 -0.31 -0.78 2.02 -0.93 -4.20 118.70 114.70 1rne s GLU 106 Ca 0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.92 1rne s GLU 106 Cb 0.00 -1.54 0.11 0.00 0.10 0.00 0.00 34.13 32.80 1rne s GLU 106 CO 0.00 -0.56 0.14 1.41 0.02 0.00 0.00 175.26 176.27 1rne s MET 107 N 2.07 0.41 0.62 1.61 1.75 -1.26 -2.60 119.30 121.90 1rne s MET 107 Ca 0.02 -0.83 -0.18 0.00 -1.25 0.00 0.00 55.69 53.45 1rne s MET 107 Cb -0.15 -1.43 -0.03 0.00 2.84 0.00 0.00 34.83 36.06 1rne s MET 107 CO -0.07 -1.04 1.11 -0.35 -0.65 0.00 0.00 175.02 174.02 1rne n PRO 108 N 4.92 0.99 -0.14 4.11 -0.04 -1.26 -4.48 135.00 139.11 1rne n PRO 108 Ca -0.02 0.39 -0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1rne n PRO 108 Cb 0.41 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.53 1rne n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rne h ALA 109 N 0.50 0.52 -2.79 0.55 0.00 -1.99 -2.89 119.26 113.16 1rne h ALA 109 Ca -0.50 -0.20 -0.66 0.00 0.00 0.00 0.00 54.91 53.55 1rne h ALA 109 Cb 1.35 -0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 1rne h ALA 109 CO 0.52 0.22 -0.50 -1.17 0.00 0.00 0.00 179.25 178.32 1rne s LEU 110 N -9.59 4.31 0.00 0.00 2.96 -1.26 0.51 118.68 115.62 1rne s LEU 110 Ca -0.13 -0.27 0.23 0.00 -0.22 0.00 0.00 54.13 53.74 1rne s LEU 110 Cb 0.10 -2.12 0.07 0.00 0.50 0.00 0.00 46.19 44.74 1rne s LEU 110 CO 0.77 -0.16 1.15 -0.81 -1.32 0.00 0.00 176.35 175.98 1rne n PRO 111 N 5.08 1.38 0.26 0.98 -0.04 -1.26 -4.79 135.00 136.61 1rne n PRO 111 Ca -0.13 -1.13 0.18 0.00 -0.04 0.00 0.00 63.50 62.38 1rne n PRO 111 Cb 0.51 -1.48 0.91 0.00 -0.04 0.00 0.00 33.50 33.40 1rne n PRO 111 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1rne h PHE 112 N 2.75 0.00 0.00 0.54 0.04 -1.16 -1.52 116.94 117.59 1rne h PHE 112 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rne h PHE 112 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1rne h PHE 112 CO 0.00 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.38 1rne n MET 113 N -3.42 0.13 0.00 1.51 2.81 0.18 -1.69 117.12 116.65 1rne n MET 113 Ca 0.00 0.20 0.13 0.00 -1.81 0.00 0.00 57.70 56.22 1rne n MET 113 Cb 0.30 -1.68 0.47 0.00 -0.71 0.00 0.00 33.22 31.60 1rne n MET 113 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1rne n LEU 114 N -1.91 0.22 -4.69 4.03 4.77 -0.57 -4.89 117.00 113.96 1rne n LEU 114 Ca 0.05 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 1rne n LEU 114 Cb 0.32 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1rne n LEU 114 CO 0.25 0.04 1.09 0.00 -1.33 0.00 0.00 177.39 177.43 1rne s ALA 115 N -3.01 3.56 -0.83 -1.18 0.00 -0.68 -4.90 121.76 114.72 1rne s ALA 115 Ca 0.13 0.89 0.24 0.00 0.00 0.00 0.00 51.96 53.21 1rne s ALA 115 Cb 0.18 -3.57 0.26 0.00 0.00 0.00 0.00 23.12 19.99 1rne s ALA 115 CO 0.60 -0.83 1.22 0.39 0.00 0.00 0.00 175.76 177.14 1rne n GLU 116 N 5.09 0.13 -3.02 0.00 -0.58 -1.26 -4.88 120.64 116.12 1rne n GLU 116 Ca 0.12 0.01 -0.21 0.00 -0.42 0.00 0.00 57.16 56.67 1rne n GLU 116 Cb 0.44 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.77 1rne n GLU 116 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1rne s PHE 117 N -3.08 3.06 -0.18 -0.32 -0.71 -1.26 -4.99 117.98 110.49 1rne s PHE 117 Ca 0.08 -0.01 0.16 0.00 -1.04 0.00 0.00 56.93 56.12 1rne s PHE 117 Cb 0.16 -2.36 -0.24 0.00 -1.21 0.00 0.00 43.02 39.37 1rne s PHE 117 CO 0.75 -0.41 0.15 -0.25 -1.34 0.00 0.00 175.22 174.13 1rne n ASP 118 N -2.01 0.24 -1.76 1.98 8.00 0.73 -4.98 116.55 118.74 1rne n ASP 118 Ca 0.03 0.06 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 1rne n ASP 118 Cb 0.58 0.76 0.01 0.00 -0.02 0.00 0.00 41.12 42.45 1rne n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rne n GLY 119 N 1.74 1.80 3.29 0.44 0.00 -0.44 -4.21 105.19 107.81 1rne n GLY 119 Ca -0.31 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1rne n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rne s VAL 120 N -2.62 1.91 -0.31 1.61 1.01 -1.11 -1.52 120.40 119.38 1rne s VAL 120 Ca 0.08 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.89 1rne s VAL 120 Cb -0.02 -1.62 0.09 0.00 0.00 0.00 0.00 36.38 34.83 1rne s VAL 120 CO 0.06 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1rne s VAL 121 N -0.71 2.09 0.10 2.92 1.01 -0.70 -1.40 120.40 123.72 1rne s VAL 121 Ca 0.10 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.75 1rne s VAL 121 Cb -0.09 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1rne s VAL 121 CO 0.01 -0.43 1.17 -0.83 0.00 0.00 0.00 175.10 175.02 1rne s GLY 122 N 1.04 2.57 -0.27 4.51 0.00 0.29 -2.31 107.32 113.15 1rne s GLY 122 Ca 0.05 0.84 0.11 0.00 0.00 0.00 0.00 44.72 45.72 1rne s GLY 122 CO -0.08 1.91 1.51 1.03 0.00 0.00 0.00 173.10 177.47 1rne n MET 123 N 3.35 2.41 -0.10 2.90 2.81 0.30 -4.52 117.12 124.25 1rne n MET 123 Ca 0.07 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.92 1rne n MET 123 Cb 0.46 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1rne n MET 123 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rne n GLY 124 N -0.83 0.40 3.98 3.03 0.00 -0.02 -4.77 105.19 106.98 1rne n GLY 124 Ca 0.32 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 1rne n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rne s PHE 125 N 0.67 3.07 0.32 1.61 0.40 -1.26 -4.86 117.98 117.93 1rne s PHE 125 Ca 0.00 -0.09 0.35 0.00 -0.60 0.00 0.00 56.93 56.59 1rne s PHE 125 Cb 0.00 -2.23 1.64 0.00 0.51 0.00 0.00 43.02 42.94 1rne s PHE 125 CO 0.00 -0.27 2.10 0.97 0.70 0.00 0.00 175.22 178.71 1rne h ILE 126 N 0.61 0.15 0.00 0.64 2.10 -1.91 -2.59 117.51 116.51 1rne h ILE 126 Ca -0.45 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.07 1rne h ILE 126 Cb 1.26 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.35 1rne h ILE 126 CO 0.53 0.04 0.00 -0.33 -1.08 0.00 0.00 178.15 177.31 1rne h GLU 127 N 0.00 0.00 -0.01 2.19 3.07 -1.95 -2.63 114.58 115.25 1rne h GLU 127 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rne h GLU 127 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1rne h GLU 127 CO 0.01 0.00 -0.39 1.04 -1.40 0.00 0.00 179.01 178.27 1rne n GLN 128 N -2.38 1.63 -2.27 2.33 6.02 -0.98 -4.97 117.38 116.77 1rne n GLN 128 Ca 0.00 -0.76 -0.43 0.00 -0.01 0.00 0.00 57.00 55.80 1rne n GLN 128 Cb 0.14 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 1rne n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rne s ALA 129 N -2.01 3.16 0.25 -1.58 0.00 -0.99 -4.37 121.76 116.21 1rne s ALA 129 Ca 0.13 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 1rne s ALA 129 Cb 0.13 -3.88 -0.10 0.00 0.00 0.00 0.00 23.12 19.27 1rne s ALA 129 CO 0.44 -2.15 1.40 0.42 0.00 0.00 0.00 175.76 175.88 1rne s ILE 130 N 5.27 2.77 0.00 0.00 1.09 -1.26 -1.75 121.20 127.32 1rne s ILE 130 Ca 0.65 0.65 0.00 0.00 -1.10 0.00 0.00 60.65 60.85 1rne s ILE 130 Cb -0.18 -3.42 0.00 0.00 -1.06 0.00 0.00 42.46 37.80 1rne s ILE 130 CO 0.29 0.11 0.00 0.61 -0.10 0.00 0.00 174.94 175.85 1rne n GLY 131 N 2.08 0.47 1.89 6.18 0.00 -1.26 -3.77 105.19 110.79 1rne n GLY 131 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1rne n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rne n ARG 132 N -3.00 -1.36 -2.20 1.61 5.12 -0.72 -4.89 116.66 111.24 1rne n ARG 132 Ca 0.00 0.53 -0.42 0.00 -1.93 0.00 0.00 57.85 56.03 1rne n ARG 132 Cb 0.00 -4.58 -0.03 0.00 -1.16 0.00 0.00 32.46 26.69 1rne n ARG 132 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1rne s VAL 133 N -1.60 3.23 0.01 1.55 1.01 -1.25 -4.95 120.40 118.39 1rne s VAL 133 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 1rne s VAL 133 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1rne s VAL 133 CO 0.00 0.12 1.57 -0.89 0.00 0.00 0.00 175.10 175.90 1rne s THR 134 N 0.44 3.43 0.55 3.92 2.01 -1.26 -4.84 115.64 119.88 1rne s THR 134 Ca 0.59 0.76 -0.21 0.00 0.31 0.00 0.00 61.69 63.13 1rne s THR 134 Cb -0.37 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1rne s THR 134 CO 0.36 -0.02 1.28 -2.65 -0.69 0.00 0.00 174.62 172.89 1rne n PRO 135 N 6.01 1.55 -0.33 4.92 -0.02 -1.26 -4.77 135.00 141.09 1rne n PRO 135 Ca 0.15 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1rne n PRO 135 Cb 0.42 -2.48 0.28 0.00 -0.02 0.00 0.00 33.50 31.71 1rne n PRO 135 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1rne h ILE 136 N 1.29 0.89 -0.03 4.25 2.10 -1.81 -2.05 117.51 122.15 1rne h ILE 136 Ca -0.50 -0.31 -0.16 0.00 1.08 0.00 0.00 64.86 64.97 1rne h ILE 136 Cb 1.32 -0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 1rne h ILE 136 CO 0.56 0.16 -0.72 0.15 -1.08 0.00 0.00 178.15 177.22 1rne h PHE 137 N 0.90 0.23 -0.52 2.19 3.57 -1.90 0.12 116.94 121.52 1rne h PHE 137 Ca 0.48 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 1rne h PHE 137 Cb 0.56 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1rne h PHE 137 CO -0.00 0.83 0.09 -0.44 -2.23 0.00 0.00 178.31 176.56 1rne h ASP 138 N 0.11 0.83 -0.47 0.41 3.32 -1.74 0.00 116.42 118.87 1rne h ASP 138 Ca -0.02 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1rne h ASP 138 Cb 1.28 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1rne h ASP 138 CO 0.11 0.87 0.22 0.78 -1.72 0.00 0.00 179.24 179.50 1rne h ASN 139 N 0.75 0.66 -0.46 6.45 2.35 -1.09 -0.31 115.58 123.92 1rne h ASN 139 Ca 0.16 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1rne h ASN 139 Cb 0.40 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1rne h ASN 139 CO 0.01 0.59 0.15 0.40 -1.65 0.00 0.00 177.43 176.92 1rne h ILE 140 N 0.73 1.22 -0.08 2.81 2.04 -0.03 -2.44 117.51 121.76 1rne h ILE 140 Ca 0.18 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1rne h ILE 140 Cb 0.12 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1rne h ILE 140 CO -0.02 0.27 -0.03 0.40 0.00 0.00 0.00 178.15 178.77 1rne h ILE 141 N 0.61 0.89 -1.03 -0.67 2.04 -0.54 -2.39 117.51 116.43 1rne h ILE 141 Ca 0.15 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.28 1rne h ILE 141 Cb 0.27 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1rne h ILE 141 CO -0.00 0.00 0.68 0.28 0.00 0.00 0.00 178.15 179.11 1rne h SER 142 N -0.02 0.35 0.24 1.72 0.02 -0.61 1.01 113.55 116.26 1rne h SER 142 Ca 0.04 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1rne h SER 142 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1rne h SER 142 CO -0.09 0.08 0.00 1.67 -1.14 0.00 0.00 176.83 177.35 1rne n GLN 143 N -4.52 0.04 -3.31 3.45 -0.06 -0.90 -4.89 117.38 107.19 1rne n GLN 143 Ca 0.24 0.43 -0.09 0.00 -2.00 0.00 0.00 57.00 55.58 1rne n GLN 143 Cb 0.91 -1.61 0.01 0.00 -4.06 0.00 0.00 30.24 25.48 1rne n GLN 143 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rne n GLY 144 N -0.82 -1.25 0.00 1.69 0.00 0.35 -4.95 105.19 100.22 1rne n GLY 144 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1rne n GLY 144 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rne n VAL 145 N -2.21 0.00 -2.53 1.61 3.14 -1.26 -5.04 118.33 112.04 1rne n VAL 145 Ca -0.10 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.96 1rne n VAL 145 Cb 0.57 0.11 -0.04 0.00 -1.06 0.00 0.00 33.84 33.41 1rne n VAL 145 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1rne s LEU 146 N 0.00 3.72 0.29 6.55 1.43 -1.26 0.84 118.68 130.25 1rne s LEU 146 Ca 0.00 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1rne s LEU 146 Cb 0.00 -4.49 0.50 0.00 0.03 0.00 0.00 46.19 42.23 1rne s LEU 146 CO 0.00 -0.52 1.88 0.50 0.23 0.00 0.00 176.35 178.45 1rne h LYS 147 N 1.20 1.04 -3.52 1.70 3.64 -0.16 -3.39 116.57 117.08 1rne h LYS 147 Ca -0.47 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 1rne h LYS 147 Cb 1.18 -0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 32.64 1rne h LYS 147 CO 0.61 0.69 -0.17 -1.21 -2.27 0.00 0.00 179.45 177.11 1rne s GLU 148 N -5.96 1.00 -1.26 1.90 2.02 -1.22 -4.86 118.70 110.33 1rne s GLU 148 Ca -0.12 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 53.98 1rne s GLU 148 Cb 0.21 0.43 0.17 0.00 0.10 0.00 0.00 34.13 35.04 1rne s GLU 148 CO 0.81 -0.37 1.76 -0.25 0.02 0.00 0.00 175.26 177.22 1rne n ASP 149 N -0.17 5.15 -3.83 -0.19 8.00 -1.26 -4.12 116.55 120.12 1rne n ASP 149 Ca -0.16 -3.08 -0.11 0.00 0.71 0.00 0.00 54.79 52.15 1rne n ASP 149 Cb 0.63 -1.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.15 1rne n ASP 149 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rne s VAL 150 N 0.60 0.09 -0.03 2.53 1.01 -1.26 -1.58 120.40 121.75 1rne s VAL 150 Ca 0.40 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1rne s VAL 150 Cb 0.06 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1rne s VAL 150 CO 0.01 -0.41 0.10 0.72 0.00 0.00 0.00 175.10 175.51 1rne s PHE 151 N -1.96 -0.10 0.01 5.22 -0.12 -0.55 0.15 117.98 120.62 1rne s PHE 151 Ca -0.10 0.23 0.06 0.00 -0.05 0.00 0.00 56.93 57.08 1rne s PHE 151 Cb -0.04 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1rne s PHE 151 CO -0.01 -0.06 -0.18 -1.12 -0.05 0.00 0.00 175.22 173.80 1rne s SER 152 N -0.03 2.16 -0.13 1.98 0.01 -0.77 0.04 113.70 116.95 1rne s SER 152 Ca -0.01 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 1rne s SER 152 Cb -0.01 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1rne s SER 152 CO 0.00 0.19 -0.08 -0.36 0.41 0.00 0.00 173.24 173.40 1rne s PHE 153 N -0.55 2.91 -0.17 2.43 0.40 -0.31 -0.37 117.98 122.32 1rne s PHE 153 Ca 0.07 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1rne s PHE 153 Cb -0.07 -1.87 0.04 0.00 0.51 0.00 0.00 43.02 41.62 1rne s PHE 153 CO 0.00 -0.06 -0.07 -0.47 0.70 0.00 0.00 175.22 175.31 1rne s TYR 154 N 0.19 1.89 -0.20 0.36 5.04 -0.06 -2.50 117.35 122.08 1rne s TYR 154 Ca -0.05 -1.18 -0.04 0.00 -2.44 0.00 0.00 57.07 53.36 1rne s TYR 154 Cb -0.14 -1.41 -0.02 0.00 0.35 0.00 0.00 41.96 40.74 1rne s TYR 154 CO 0.04 -0.64 -0.04 0.71 -1.34 0.00 0.00 175.55 174.28 1rne s TYR 155 N 1.57 2.98 0.46 4.97 2.02 -1.26 -0.30 117.35 127.78 1rne s TYR 155 Ca 0.01 -0.65 -0.01 0.00 -0.37 0.00 0.00 57.07 56.04 1rne s TYR 155 Cb -0.15 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1rne s TYR 155 CO -0.08 -0.34 0.70 1.21 -1.57 0.00 0.00 175.55 175.47 1rne s ASN 156 N 1.05 5.94 0.05 2.29 3.84 -0.02 -4.44 114.94 123.65 1rne s ASN 156 Ca 0.01 0.47 -0.17 0.00 0.21 0.00 0.00 52.86 53.38 1rne s ASN 156 Cb -0.15 -1.75 -0.17 0.00 -0.55 0.00 0.00 41.25 38.63 1rne s ASN 156 CO 0.00 -0.67 1.25 0.03 -2.79 0.00 0.00 177.10 174.92 1rne h ARG 157 N 0.34 0.55 0.00 0.43 -0.00 -1.88 -3.47 114.38 110.36 1rne h ARG 157 Ca -0.47 -0.44 0.00 0.00 -0.50 0.00 0.00 59.98 58.57 1rne h ARG 157 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.30 1rne h ARG 157 CO 0.59 1.06 0.00 -3.47 0.00 0.00 0.00 179.97 178.15 1rne n ASP 158 N -4.21 0.00 0.00 7.04 2.03 -1.26 -4.79 116.55 115.36 1rne n ASP 158 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1rne n ASP 158 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1rne n ASP 158 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1rne n LEU 161 N 0.00 0.00 0.08 -2.67 -0.00 -1.25 -5.68 117.00 107.48 1rne n LEU 161 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1rne n LEU 161 Cb 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 43.79 1rne n LEU 161 CO 0.00 0.00 0.76 0.61 -0.00 0.00 0.00 177.39 178.76 1rne n GLY 162 N 0.00 -1.60 3.99 -3.96 0.00 -0.77 -4.82 105.19 98.03 1rne n GLY 162 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1rne n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rne s GLY 163 N -3.50 -0.22 -0.29 -0.02 0.00 -0.86 -0.84 107.32 101.59 1rne s GLY 163 Ca 0.10 0.20 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 1rne s GLY 163 CO 0.62 6.05 0.83 1.62 0.00 0.00 0.00 173.10 182.22 1rne s GLN 164 N -2.02 0.50 -0.11 2.90 0.74 0.58 -1.30 119.66 120.97 1rne s GLN 164 Ca 0.30 0.98 -0.02 0.00 0.05 0.00 0.00 55.36 56.67 1rne s GLN 164 Cb 0.01 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 1rne s GLN 164 CO -0.03 -0.12 -0.03 0.42 -0.55 0.00 0.00 175.29 174.97 1rne s ILE 165 N 1.86 3.97 -0.23 -2.34 1.01 0.59 -0.88 121.20 125.18 1rne s ILE 165 Ca -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1rne s ILE 165 Cb -0.06 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1rne s ILE 165 CO -0.18 0.56 -0.06 -0.69 0.00 0.00 0.00 174.94 174.57 1rne s VAL 166 N -0.38 3.07 -0.23 2.92 1.01 0.50 0.04 120.40 127.33 1rne s VAL 166 Ca 0.06 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1rne s VAL 166 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1rne s VAL 166 CO 0.02 0.36 0.52 -0.76 0.00 0.00 0.00 175.10 175.24 1rne s LEU 167 N 1.41 4.11 0.00 3.92 1.43 0.25 -1.86 118.68 127.94 1rne s LEU 167 Ca 0.04 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1rne s LEU 167 Cb -0.15 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1rne s LEU 167 CO -0.05 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1rne n GLY 168 N 4.09 0.60 0.00 -3.19 0.00 0.39 -2.31 105.19 104.78 1rne n GLY 168 Ca -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1rne n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rne n GLY 169 N -2.65 -0.54 3.20 -0.02 0.00 -1.18 -3.38 105.19 100.62 1rne n GLY 169 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1rne n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rne s SER 170 N -4.00 0.68 -0.20 1.61 1.04 -1.26 -3.83 113.70 107.74 1rne s SER 170 Ca 0.00 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.21 1rne s SER 170 Cb 0.00 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.39 1rne s SER 170 CO 0.00 -0.69 -0.11 -0.62 0.98 0.00 0.00 173.24 172.80 1rne s ASP 171 N -3.13 3.46 0.43 7.02 2.15 -1.26 -4.95 116.67 120.39 1rne s ASP 171 Ca 0.27 -0.91 0.28 0.00 0.43 0.00 0.00 52.55 52.62 1rne s ASP 171 Cb 0.07 -1.28 0.97 0.00 -0.30 0.00 0.00 42.92 42.38 1rne s ASP 171 CO 0.05 -0.14 1.81 1.55 -0.17 0.00 0.00 175.17 178.28 1rne h PRO 172 N 7.95 0.00 0.00 4.34 0.13 -2.00 -2.27 132.00 140.16 1rne h PRO 172 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1rne h PRO 172 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1rne h PRO 172 CO 0.49 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.30 1rne n GLN 173 N -2.85 0.31 -0.07 0.86 1.13 -1.26 -2.91 117.38 112.59 1rne n GLN 173 Ca 0.02 0.08 0.07 0.00 -1.94 0.00 0.00 57.00 55.24 1rne n GLN 173 Cb 0.36 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.32 1rne n GLN 173 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1rne n HIS 174 N -1.14 0.05 -3.64 1.08 8.25 -0.85 -4.83 115.22 114.13 1rne n HIS 174 Ca 0.08 -0.85 -0.15 0.00 -0.26 0.00 0.00 57.72 56.54 1rne n HIS 174 Cb 0.08 -0.13 -0.08 0.00 1.12 0.00 0.00 29.99 30.98 1rne n HIS 174 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1rne s TYR 175 N -2.35 -0.56 -0.13 4.41 1.13 -1.15 -1.96 117.35 116.74 1rne s TYR 175 Ca 0.24 1.20 -0.05 0.00 -1.41 0.00 0.00 57.07 57.05 1rne s TYR 175 Cb 0.21 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1rne s TYR 175 CO 0.03 -0.41 0.06 -1.21 -2.51 0.00 0.00 175.55 171.50 1rne s GLU 176 N -0.44 3.48 2.10 -3.49 2.02 0.47 -4.88 118.70 117.95 1rne s GLU 176 Ca -0.06 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1rne s GLU 176 Cb -0.03 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1rne s GLU 176 CO 0.04 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1rne n GLY 177 N 2.66 -1.10 3.96 -1.39 0.00 -1.26 -3.49 105.19 104.57 1rne n GLY 177 Ca -0.18 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1rne n GLY 177 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rne s ASN 178 N -4.00 5.77 0.33 1.61 0.01 -1.26 -4.97 114.94 112.43 1rne s ASN 178 Ca 0.00 0.18 -0.11 0.00 -0.71 0.00 0.00 52.86 52.22 1rne s ASN 178 Cb 0.00 -1.39 -0.07 0.00 0.41 0.00 0.00 41.25 40.19 1rne s ASN 178 CO 0.00 -0.74 0.70 -0.36 -1.51 0.00 0.00 177.10 175.19 1rne s PHE 179 N -2.54 3.43 -0.13 2.20 0.08 -1.26 -4.64 117.98 115.11 1rne s PHE 179 Ca 0.49 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.59 1rne s PHE 179 Cb -0.10 -2.41 0.02 0.00 -0.57 0.00 0.00 43.02 39.96 1rne s PHE 179 CO 0.37 0.06 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.38 1rne s HIS 180 N -2.10 2.24 -0.05 0.36 3.76 -0.66 -4.88 115.29 113.95 1rne s HIS 180 Ca 0.51 -1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.23 1rne s HIS 180 Cb -0.10 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 1rne s HIS 180 CO 0.24 -0.60 0.07 0.71 -0.85 0.00 0.00 174.74 174.31 1rne s TYR 181 N 1.15 3.30 -0.05 1.40 2.02 -1.26 -1.19 117.35 122.72 1rne s TYR 181 Ca -0.02 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1rne s TYR 181 Cb -0.14 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1rne s TYR 181 CO -0.06 0.56 -0.10 0.42 -1.57 0.00 0.00 175.55 174.81 1rne s ILE 182 N -1.06 0.89 0.40 2.71 1.09 0.02 -4.90 121.20 120.35 1rne s ILE 182 Ca 0.18 -0.36 -0.23 0.00 -1.10 0.00 0.00 60.65 59.14 1rne s ILE 182 Cb -0.12 -0.83 -0.10 0.00 -1.06 0.00 0.00 42.46 40.35 1rne s ILE 182 CO 0.08 0.29 0.97 0.20 -0.10 0.00 0.00 174.94 176.38 1rne s ASN 183 N 0.56 6.98 0.41 3.58 0.02 -1.26 -0.32 114.94 124.90 1rne s ASN 183 Ca -0.10 1.79 -0.26 0.00 -1.02 0.00 0.00 52.86 53.27 1rne s ASN 183 Cb -0.13 -2.56 -0.09 0.00 0.02 0.00 0.00 41.25 38.49 1rne s ASN 183 CO 0.02 -0.33 1.36 -0.76 0.02 0.00 0.00 177.10 177.41 1rne s LEU 184 N -2.83 4.22 -0.06 0.60 1.43 -0.07 -4.66 118.68 117.30 1rne s LEU 184 Ca 0.59 2.78 -0.23 0.00 -1.03 0.00 0.00 54.13 56.24 1rne s LEU 184 Cb -0.14 -3.86 -0.31 0.00 0.03 0.00 0.00 46.19 41.92 1rne s LEU 184 CO 0.18 -0.92 0.87 -0.29 0.23 0.00 0.00 176.35 176.42 1rne h ILE 185 N 2.53 1.56 -3.96 -0.59 2.10 -1.78 -3.47 117.51 113.91 1rne h ILE 185 Ca -0.50 -2.51 -0.30 0.00 1.08 0.00 0.00 64.86 62.63 1rne h ILE 185 Cb 1.25 3.24 -0.23 0.00 -1.09 0.00 0.00 36.82 39.98 1rne h ILE 185 CO 0.63 0.70 -0.74 -1.59 -1.08 0.00 0.00 178.15 176.06 1rne s LYS 186 N -2.39 0.54 0.36 2.19 -2.85 -1.26 -5.11 119.74 111.22 1rne s LYS 186 Ca -0.15 -0.64 -0.07 0.00 -1.00 0.00 0.00 55.97 54.11 1rne s LYS 186 Cb 0.00 -0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 35.33 1rne s LYS 186 CO 0.81 0.08 0.68 -0.08 0.10 0.00 0.00 175.35 176.94 1rne s THR 187 N -1.06 4.90 0.00 3.79 -1.32 -1.26 -4.09 115.64 116.60 1rne s THR 187 Ca -0.06 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 1rne s THR 187 Cb -0.08 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1rne s THR 187 CO 0.00 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 1rne n GLY 188 N -1.25 0.31 3.52 6.08 0.00 -1.26 -5.05 105.19 107.53 1rne n GLY 188 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1rne n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rne s VAL 189 N -2.01 -0.00 -1.24 1.61 0.11 -1.26 -4.36 120.40 113.24 1rne s VAL 189 Ca 0.00 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.88 1rne s VAL 189 Cb 0.00 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1rne s VAL 189 CO 0.00 0.01 1.91 0.79 -3.33 0.00 0.00 175.10 174.47 1rne n TRP 190 N 3.39 3.66 -4.53 1.54 7.02 -1.26 -4.79 117.44 122.48 1rne n TRP 190 Ca -0.17 -2.43 -0.21 0.00 -1.02 0.00 0.00 57.50 53.67 1rne n TRP 190 Cb 0.57 -2.51 -0.15 0.00 -2.42 0.00 0.00 31.31 26.80 1rne n TRP 190 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1rne s GLN 191 N 4.62 0.98 0.33 -0.99 0.74 -1.26 -1.31 119.66 122.77 1rne s GLN 191 Ca 0.56 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.55 1rne s GLN 191 Cb 0.06 -0.95 -0.06 0.00 1.10 0.00 0.00 33.01 33.17 1rne s GLN 191 CO 0.06 0.26 0.07 0.96 -0.55 0.00 0.00 175.29 176.10 1rne s ILE 192 N -0.33 1.01 0.14 -2.34 -4.36 -0.86 -2.24 121.20 112.21 1rne s ILE 192 Ca 0.04 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 1rne s ILE 192 Cb -0.05 -2.70 -0.07 0.00 1.25 0.00 0.00 42.46 40.89 1rne s ILE 192 CO -0.00 0.00 0.54 -1.58 0.24 0.00 0.00 174.94 174.14 1rne s GLN 193 N -3.88 3.98 0.06 0.37 0.74 -1.26 -0.44 119.66 119.22 1rne s GLN 193 Ca 0.34 0.49 0.08 0.00 0.05 0.00 0.00 55.36 56.32 1rne s GLN 193 Cb 0.08 -2.96 -0.03 0.00 1.10 0.00 0.00 33.01 31.20 1rne s GLN 193 CO 0.15 0.50 -0.21 1.41 -0.55 0.00 0.00 175.29 176.59 1rne s MET 194 N -1.89 1.93 0.00 1.67 -2.45 0.25 -4.42 119.30 114.39 1rne s MET 194 Ca 0.37 -1.06 0.16 0.00 -1.25 0.00 0.00 55.69 53.91 1rne s MET 194 Cb -0.15 -2.11 0.31 0.00 1.25 0.00 0.00 34.83 34.13 1rne s MET 194 CO 0.19 0.52 1.23 1.63 1.05 0.00 0.00 175.02 179.64 1rne n LYS 195 N 1.48 2.15 0.00 4.11 5.02 0.33 -1.33 118.16 129.91 1rne n LYS 195 Ca -0.16 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1rne n LYS 195 Cb 0.52 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1rne n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rne n GLY 196 N 0.99 3.93 3.24 0.72 0.00 -1.05 -4.49 105.19 108.53 1rne n GLY 196 Ca 0.14 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1rne n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rne s VAL 197 N -1.65 2.89 0.04 1.61 1.01 -0.60 -1.41 120.40 122.29 1rne s VAL 197 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1rne s VAL 197 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1rne s VAL 197 CO 0.00 0.45 -0.08 -0.44 0.00 0.00 0.00 175.10 175.03 1rne s SER 198 N 1.40 4.51 -0.26 3.32 0.01 -0.01 -1.78 113.70 120.89 1rne s SER 198 Ca 0.05 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.03 1rne s SER 198 Cb -0.14 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.13 1rne s SER 198 CO -0.07 0.24 0.01 -0.69 0.41 0.00 0.00 173.24 173.14 1rne s VAL 199 N -1.08 3.47 0.00 3.43 1.01 0.93 -1.43 120.40 126.73 1rne s VAL 199 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1rne s VAL 199 Cb -0.11 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1rne s VAL 199 CO 0.10 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1rne n GLY 200 N 4.78 2.40 0.24 4.51 0.00 0.40 -2.34 105.19 115.18 1rne n GLY 200 Ca -0.16 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.79 1rne n GLY 200 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rne n SER 201 N 9.88 2.31 -4.51 1.61 3.41 -1.26 -4.87 113.62 120.19 1rne n SER 201 Ca 0.00 -1.97 -0.34 0.00 -0.26 0.00 0.00 58.87 56.30 1rne n SER 201 Cb 0.00 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1rne n SER 201 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rne s SER 202 N -0.98 4.77 -0.32 4.04 0.01 -0.99 -5.08 113.70 115.15 1rne s SER 202 Ca 0.09 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1rne s SER 202 Cb 0.04 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1rne s SER 202 CO 0.06 0.19 1.35 -0.89 0.41 0.00 0.00 173.24 174.36 1rne s THR 203 N 0.22 4.05 -0.17 1.44 2.01 -1.26 -0.05 115.64 121.88 1rne s THR 203 Ca -0.03 1.16 0.07 0.00 0.31 0.00 0.00 61.69 63.20 1rne s THR 203 Cb -0.14 -4.14 -0.15 0.00 0.01 0.00 0.00 72.50 68.08 1rne s THR 203 CO 0.03 -0.53 -0.07 0.18 -0.69 0.00 0.00 174.62 173.54 1rne n LEU 204 N 7.98 1.60 -4.37 4.42 4.77 -0.73 -4.95 117.00 125.71 1rne n LEU 204 Ca 0.15 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1rne n LEU 204 Cb 0.47 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1rne n LEU 204 CO 0.65 0.61 -0.30 -0.76 -1.33 0.00 0.00 177.39 176.26 1rne s LEU 205 N -5.64 2.13 -1.52 2.23 1.43 -0.95 -4.85 118.68 111.50 1rne s LEU 205 Ca -0.17 -1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 51.56 1rne s LEU 205 Cb 0.06 -0.29 0.06 0.00 0.03 0.00 0.00 46.19 46.04 1rne s LEU 205 CO 0.52 -0.56 0.58 0.00 0.23 0.00 0.00 176.35 177.12 1rne h GLU 207 N -1.74 0.00 -0.30 0.00 3.07 -1.89 -2.71 114.58 111.01 1rne h GLU 207 Ca -0.61 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.24 1rne h GLU 207 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1rne h GLU 207 CO 0.68 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 178.07 1rne n ASP 208 N -3.11 4.05 0.00 1.42 8.00 -1.26 -4.90 116.55 120.75 1rne n ASP 208 Ca 0.02 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.49 1rne n ASP 208 Cb 0.44 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1rne n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rne n GLY 209 N -0.41 -1.96 1.93 0.44 0.00 -1.06 -5.10 105.19 99.03 1rne n GLY 209 Ca 0.23 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 1rne n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rne s LEU 211 N 0.00 3.01 -0.19 0.00 1.43 -1.26 0.86 118.68 122.54 1rne s LEU 211 Ca 0.09 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1rne s LEU 211 Cb -0.02 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1rne s LEU 211 CO 0.05 0.29 -0.17 0.00 0.23 0.00 0.00 176.35 176.75 1rne s ALA 212 N -0.94 2.40 -0.11 4.21 0.00 0.42 -0.41 121.76 127.34 1rne s ALA 212 Ca 0.16 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 1rne s ALA 212 Cb -0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1rne s ALA 212 CO 0.06 -0.42 0.44 -1.17 0.00 0.00 0.00 175.76 174.67 1rne s LEU 213 N 1.30 4.30 -0.63 0.00 0.20 0.22 -2.03 118.68 122.05 1rne s LEU 213 Ca 0.04 0.79 -0.23 0.00 0.69 0.00 0.00 54.13 55.42 1rne s LEU 213 Cb -0.14 -2.63 0.06 0.00 -0.43 0.00 0.00 46.19 43.06 1rne s LEU 213 CO -0.11 0.07 0.96 -0.69 -0.29 0.00 0.00 176.35 176.28 1rne s VAL 214 N 0.33 4.34 -0.26 1.68 1.01 -0.43 -0.83 120.40 126.25 1rne s VAL 214 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1rne s VAL 214 Cb -0.15 -4.65 0.04 0.00 0.00 0.00 0.00 36.38 31.63 1rne s VAL 214 CO 0.10 -1.37 -0.07 -0.62 0.00 0.00 0.00 175.10 173.13 1rne s ASP 215 N 3.46 4.42 0.32 3.32 -1.08 -0.82 -4.66 116.67 121.62 1rne s ASP 215 Ca 0.24 -1.16 0.26 0.00 -0.52 0.00 0.00 52.55 51.37 1rne s ASP 215 Cb -0.16 -1.62 0.81 0.00 -1.46 0.00 0.00 42.92 40.50 1rne s ASP 215 CO 0.12 -0.18 1.75 0.71 0.52 0.00 0.00 175.17 178.10 1rne h THR 216 N 6.45 0.00 -0.58 1.71 1.35 -1.84 -3.10 112.91 116.90 1rne h THR 216 Ca -0.26 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1rne h THR 216 Cb 1.07 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1rne h THR 216 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1rne n GLY 217 N 0.81 2.10 3.44 5.82 0.00 -1.26 -4.68 105.19 111.42 1rne n GLY 217 Ca 0.04 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1rne n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rne s ALA 218 N -1.51 3.12 0.33 4.61 0.00 -1.17 -5.02 121.76 122.11 1rne s ALA 218 Ca 0.42 -1.11 0.17 0.00 0.00 0.00 0.00 51.96 51.44 1rne s ALA 218 Cb 0.25 -2.00 0.83 0.00 0.00 0.00 0.00 23.12 22.20 1rne s ALA 218 CO 0.24 -0.42 1.84 0.77 0.00 0.00 0.00 175.76 178.19 1rne h SER 219 N 8.09 0.00 -4.06 0.00 0.02 -1.87 -0.79 113.55 114.94 1rne h SER 219 Ca -0.38 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.26 1rne h SER 219 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 1rne h SER 219 CO 0.59 0.34 -0.21 -1.22 -1.14 0.00 0.00 176.83 175.19 1rne n TYR 220 N -3.87 0.27 -3.63 3.45 4.01 -1.26 -3.06 117.16 113.07 1rne n TYR 220 Ca -0.01 -1.16 -0.38 0.00 -0.16 0.00 0.00 57.90 56.19 1rne n TYR 220 Cb 0.41 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 1rne n TYR 220 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1rne s ILE 221 N -1.76 5.19 0.20 -0.72 1.01 -1.13 -2.53 121.20 121.47 1rne s ILE 221 Ca 0.03 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.39 1rne s ILE 221 Cb -0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1rne s ILE 221 CO 0.02 0.59 -0.18 -0.55 0.00 0.00 0.00 174.94 174.82 1rne s SER 222 N -1.03 2.83 0.17 3.58 0.15 0.32 -1.51 113.70 118.20 1rne s SER 222 Ca 0.21 -0.94 -0.18 0.00 0.70 0.00 0.00 55.95 55.74 1rne s SER 222 Cb -0.15 -0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1rne s SER 222 CO 0.10 -0.06 0.49 -0.83 1.20 0.00 0.00 173.24 174.14 1rne s GLY 223 N -3.01 -0.22 0.83 9.45 0.00 -1.20 -1.36 107.32 111.81 1rne s GLY 223 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.74 1rne s GLY 223 CO 0.08 -0.23 1.10 -1.35 0.00 0.00 0.00 173.10 172.70 1rne s SER 224 N -2.83 3.96 0.15 1.64 1.04 -1.25 0.55 113.70 116.96 1rne s SER 224 Ca 0.06 1.79 -0.22 0.00 0.48 0.00 0.00 55.95 58.06 1rne s SER 224 Cb 0.00 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1rne s SER 224 CO -0.07 -2.38 1.63 0.74 0.98 0.00 0.00 173.24 174.14 1rne h THR 225 N -1.37 0.41 -0.84 2.02 2.02 -1.92 0.81 112.91 114.04 1rne h THR 225 Ca -0.45 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.84 1rne h THR 225 Cb 1.25 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 1rne h THR 225 CO 0.51 0.00 0.55 0.28 0.37 0.00 0.00 175.52 177.22 1rne h SER 226 N -0.21 0.68 0.13 4.18 0.02 -2.00 -1.06 113.55 115.29 1rne h SER 226 Ca 0.15 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.84 1rne h SER 226 Cb 0.44 -0.11 0.03 0.00 0.14 0.00 0.00 62.40 62.90 1rne h SER 226 CO -0.41 0.38 -1.18 0.28 -1.14 0.00 0.00 176.83 174.76 1rne h SER 227 N 0.74 0.82 0.21 3.07 0.02 -1.66 -3.12 113.55 113.62 1rne h SER 227 Ca 0.40 -0.84 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 1rne h SER 227 Cb 0.54 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1rne h SER 227 CO -0.17 1.58 -0.28 0.40 -1.14 0.00 0.00 176.83 177.22 1rne h ILE 228 N 0.17 1.23 -0.05 3.27 1.08 -0.40 -1.34 117.51 121.47 1rne h ILE 228 Ca -0.18 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.20 1rne h ILE 228 Cb 1.88 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 37.11 1rne h ILE 228 CO 0.23 0.32 0.00 -0.33 -0.69 0.00 0.00 178.15 177.68 1rne h GLU 229 N 0.11 0.02 -0.68 2.37 5.08 -1.25 0.13 114.58 120.36 1rne h GLU 229 Ca 0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1rne h GLU 229 Cb 0.56 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1rne h GLU 229 CO 0.04 0.01 0.18 0.87 -1.00 0.00 0.00 179.01 179.12 1rne h LYS 230 N 0.02 1.05 0.09 2.33 6.56 -1.44 -1.45 116.57 123.73 1rne h LYS 230 Ca 0.02 -0.23 -0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1rne h LYS 230 Cb 0.03 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 1rne h LYS 230 CO -0.04 0.92 -0.04 1.25 -2.06 0.00 0.00 179.45 179.48 1rne h LEU 231 N 1.01 -0.10 -1.15 2.94 5.85 -0.92 -2.55 115.31 120.38 1rne h LEU 231 Ca 0.22 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1rne h LEU 231 Cb 0.33 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1rne h LEU 231 CO -0.00 0.25 0.33 0.24 -0.34 0.00 0.00 178.44 178.92 1rne h MET 232 N -0.47 0.93 -0.48 1.25 2.86 -0.73 0.57 114.93 118.86 1rne h MET 232 Ca -0.01 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1rne h MET 232 Cb 0.40 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 1rne h MET 232 CO 0.02 0.70 0.18 0.93 1.06 0.00 0.00 176.91 179.80 1rne h GLU 233 N 0.93 0.34 0.00 1.72 5.08 -1.23 0.22 114.58 121.64 1rne h GLU 233 Ca 0.23 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1rne h GLU 233 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1rne h GLU 233 CO -0.03 0.23 -0.28 0.00 -1.00 0.00 0.00 179.01 177.92 1rne h ALA 234 N 1.31 1.07 0.00 3.43 0.00 -0.81 -2.79 119.26 121.47 1rne h ALA 234 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rne h ALA 234 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rne h ALA 234 CO -0.22 0.35 -1.03 1.28 0.00 0.00 0.00 179.25 179.63 1rne n LEU 235 N -3.53 0.73 -0.12 0.00 4.77 0.08 -4.96 117.00 113.98 1rne n LEU 235 Ca -0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1rne n LEU 235 Cb 0.43 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1rne n LEU 235 CO 0.35 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1rne n GLY 236 N 1.23 1.02 3.83 -0.72 0.00 0.66 -4.89 105.19 106.31 1rne n GLY 236 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1rne n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rne s ALA 237 N -2.24 3.73 -0.02 4.61 0.00 -0.75 -4.88 121.76 122.21 1rne s ALA 237 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 1rne s ALA 237 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1rne s ALA 237 CO 0.00 0.75 0.21 0.15 0.00 0.00 0.00 175.76 176.87 1rne s LYS 238 N -2.16 3.50 -0.16 0.00 3.01 0.11 -4.65 119.74 119.40 1rne s LYS 238 Ca 0.28 -0.18 -0.20 0.00 -1.01 0.00 0.00 55.97 54.87 1rne s LYS 238 Cb -0.12 -3.11 -0.03 0.00 -1.01 0.00 0.00 37.83 33.56 1rne s LYS 238 CO 0.21 0.68 0.57 0.21 0.51 0.00 0.00 175.35 177.53 1rne s LYS 239 N -1.68 4.27 0.45 1.68 2.20 -1.26 0.32 119.74 125.71 1rne s LYS 239 Ca 0.25 0.55 0.07 0.00 -0.36 0.00 0.00 55.97 56.48 1rne s LYS 239 Cb -0.13 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1rne s LYS 239 CO 0.15 -0.07 0.31 1.03 -0.36 0.00 0.00 175.35 176.41 1rne s ARG 240 N 1.36 2.35 0.12 4.03 1.81 0.03 -4.96 118.95 123.69 1rne s ARG 240 Ca 0.28 -1.78 -0.14 0.00 -1.72 0.00 0.00 55.73 52.37 1rne s ARG 240 Cb -0.16 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 1rne s ARG 240 CO 0.11 -0.28 1.50 1.25 -0.68 0.00 0.00 175.30 177.20 1rne h LEU 241 N 1.10 0.80 -0.33 2.53 5.85 -2.02 -3.27 115.31 119.97 1rne h LEU 241 Ca -0.41 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 57.91 1rne h LEU 241 Cb 1.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1rne h LEU 241 CO 0.62 1.03 -0.60 0.49 -0.34 0.00 0.00 178.44 179.64 1rne n PHE 242 N -4.28 0.00 -3.72 1.25 3.72 -1.26 -5.04 117.46 108.13 1rne n PHE 242 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1rne n PHE 242 Cb 0.41 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1rne n PHE 242 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1rne s ASP 244 N -2.78 -0.10 -0.03 4.37 1.47 -1.23 -5.11 116.67 113.26 1rne s ASP 244 Ca 0.15 -0.30 -0.04 0.00 1.18 0.00 0.00 52.55 53.53 1rne s ASP 244 Cb 0.18 0.33 -0.04 0.00 -0.34 0.00 0.00 42.92 43.05 1rne s ASP 244 CO 0.69 -0.62 0.19 -0.31 0.68 0.00 0.00 175.17 175.79 1rne s TYR 245 N -2.77 3.56 0.10 2.11 1.51 -1.26 -0.79 117.35 119.80 1rne s TYR 245 Ca 0.15 0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1rne s TYR 245 Cb 0.01 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1rne s TYR 245 CO -0.00 0.66 -0.06 0.08 -1.11 0.00 0.00 175.55 175.11 1rne s VAL 246 N -1.27 0.67 0.01 0.71 1.01 0.15 -1.51 120.40 120.17 1rne s VAL 246 Ca 0.25 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.29 1rne s VAL 246 Cb -0.13 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1rne s VAL 246 CO 0.16 -0.87 0.03 0.54 0.00 0.00 0.00 175.10 174.96 1rne s VAL 247 N -3.60 0.10 0.22 2.92 0.11 -0.51 0.09 120.40 119.73 1rne s VAL 247 Ca 0.11 -0.82 -0.32 0.00 -2.93 0.00 0.00 61.98 58.02 1rne s VAL 247 Cb 0.05 -0.32 -0.12 0.00 -1.53 0.00 0.00 36.38 34.47 1rne s VAL 247 CO -0.05 -0.45 1.71 -0.54 -3.33 0.00 0.00 175.10 172.44 1rne s LYS 248 N -1.42 4.12 0.60 1.54 1.02 -1.26 0.08 119.74 124.42 1rne s LYS 248 Ca -0.15 2.62 0.30 0.00 0.02 0.00 0.00 55.97 58.75 1rne s LYS 248 Cb -0.09 -3.06 1.71 0.00 -0.52 0.00 0.00 37.83 35.87 1rne s LYS 248 CO -0.00 -0.74 2.11 0.00 -0.92 0.00 0.00 175.35 175.79 1rne h ASN 250 N 0.00 0.00 0.31 0.00 -0.00 -1.79 -3.07 115.58 111.04 1rne h ASN 250 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 1rne h ASN 250 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1rne h ASN 250 CO -0.00 0.08 -0.06 -0.62 -0.00 0.00 0.00 177.43 176.83 1rne n GLU 251 N -3.17 0.75 -0.31 4.14 1.02 0.97 -4.22 120.64 119.83 1rne n GLU 251 Ca 0.01 -0.19 0.15 0.00 -0.02 0.00 0.00 57.16 57.11 1rne n GLU 251 Cb 0.41 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.66 1rne n GLU 251 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1rne h GLY 252 N 4.97 1.53 -1.81 0.62 0.00 -1.54 0.93 103.07 107.77 1rne h GLY 252 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1rne h GLY 252 CO 0.00 -0.35 0.00 -1.05 0.00 0.00 0.00 176.54 175.14 1rne n PRO 253 N -5.13 2.40 0.00 4.80 -0.02 -1.26 -3.21 135.00 132.57 1rne n PRO 253 Ca 0.23 -1.39 0.06 0.00 -2.02 0.00 0.00 63.50 60.38 1rne n PRO 253 Cb 0.72 -1.60 0.01 0.00 -0.02 0.00 0.00 33.50 32.61 1rne n PRO 253 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rne n THR 254 N 0.40 0.00 -2.47 3.45 -2.24 0.32 -4.99 114.28 108.75 1rne n THR 254 Ca 0.13 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1rne n THR 254 Cb 0.52 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.90 1rne n THR 254 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rne s LEU 255 N -1.60 4.46 0.78 3.22 1.02 -1.20 -5.02 118.68 120.35 1rne s LEU 255 Ca 0.12 2.12 -0.11 0.00 0.02 0.00 0.00 54.13 56.28 1rne s LEU 255 Cb 0.10 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.77 1rne s LEU 255 CO 0.27 -0.29 1.09 -2.16 0.02 0.00 0.00 176.35 175.28 1rne s PRO 256 N -0.17 2.18 0.53 1.29 0.04 -1.26 -4.38 135.00 133.22 1rne s PRO 256 Ca 0.51 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 1rne s PRO 256 Cb -0.30 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1rne s PRO 256 CO 0.35 -1.66 1.00 0.16 0.04 0.00 0.00 177.00 176.89 1rne s ASP 257 N -3.50 6.43 0.01 6.66 1.47 -1.26 -4.41 116.67 122.07 1rne s ASP 257 Ca 0.61 1.64 0.07 0.00 1.18 0.00 0.00 52.55 56.05 1rne s ASP 257 Cb -0.17 -2.52 -0.02 0.00 -0.34 0.00 0.00 42.92 39.88 1rne s ASP 257 CO 0.56 -0.72 -0.22 -0.63 0.68 0.00 0.00 175.17 174.83 1rne s ILE 258 N -2.56 1.79 -0.00 2.11 1.01 -0.37 -0.45 121.20 122.72 1rne s ILE 258 Ca 0.60 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1rne s ILE 258 Cb -0.11 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1rne s ILE 258 CO 0.32 0.40 -0.02 -0.44 0.00 0.00 0.00 174.94 175.21 1rne s SER 259 N -0.80 0.21 -0.21 3.58 0.01 -0.51 -0.05 113.70 115.93 1rne s SER 259 Ca 0.09 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.25 1rne s SER 259 Cb -0.09 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 1rne s SER 259 CO 0.00 0.01 0.05 -0.36 0.41 0.00 0.00 173.24 173.35 1rne s PHE 260 N 0.03 3.14 -0.74 2.43 0.40 0.19 -0.83 117.98 122.60 1rne s PHE 260 Ca -0.00 -0.20 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1rne s PHE 260 Cb -0.02 -2.12 0.17 0.00 0.51 0.00 0.00 43.02 41.56 1rne s PHE 260 CO -0.00 -0.10 0.76 -1.58 0.70 0.00 0.00 175.22 175.00 1rne s HIS 261 N 0.90 3.42 -0.23 0.36 2.46 -0.50 0.84 115.29 122.53 1rne s HIS 261 Ca 0.03 -1.57 -0.03 0.00 0.47 0.00 0.00 55.06 53.96 1rne s HIS 261 Cb -0.14 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 1rne s HIS 261 CO 0.02 -1.13 -0.05 -0.51 -2.47 0.00 0.00 174.74 170.60 1rne s LEU 262 N 1.31 2.97 0.00 8.88 1.43 -0.15 0.12 118.68 133.25 1rne s LEU 262 Ca 0.16 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1rne s LEU 262 Cb -0.16 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1rne s LEU 262 CO -0.04 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1rne n GLY 263 N 4.75 3.50 0.83 -3.19 0.00 -1.26 -1.17 105.19 108.64 1rne n GLY 263 Ca -0.18 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1rne n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rne n GLY 264 N 0.00 1.11 3.27 -0.02 0.00 -1.26 -4.94 105.19 103.35 1rne n GLY 264 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1rne n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rne s LYS 265 N -1.52 1.16 -0.18 1.61 1.02 -0.32 -5.12 119.74 116.40 1rne s LYS 265 Ca 0.28 -1.55 -0.08 0.00 0.02 0.00 0.00 55.97 54.63 1rne s LYS 265 Cb 0.15 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 1rne s LYS 265 CO 0.18 -0.08 0.10 -1.21 -0.92 0.00 0.00 175.35 173.42 1rne s GLU 266 N -3.87 3.97 -0.29 1.68 0.41 -1.26 -0.98 118.70 118.36 1rne s GLU 266 Ca 0.24 -0.26 -0.01 0.00 -0.41 0.00 0.00 54.97 54.53 1rne s GLU 266 Cb 0.05 -3.29 0.05 0.00 -1.78 0.00 0.00 34.13 29.16 1rne s GLU 266 CO 0.04 0.38 -0.02 0.71 -0.49 0.00 0.00 175.26 175.88 1rne s TYR 267 N 0.11 3.27 -0.16 1.61 2.02 0.25 -4.91 117.35 119.54 1rne s TYR 267 Ca 0.08 -1.97 -0.05 0.00 -0.37 0.00 0.00 57.07 54.75 1rne s TYR 267 Cb -0.12 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1rne s TYR 267 CO -0.00 -0.82 -0.01 0.99 -1.57 0.00 0.00 175.55 174.14 1rne s THR 268 N 1.22 4.17 -0.09 -0.71 2.01 -1.26 0.55 115.64 121.53 1rne s THR 268 Ca -0.06 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1rne s THR 268 Cb -0.20 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1rne s THR 268 CO -0.02 0.48 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.59 1rne s LEU 269 N 0.37 3.28 0.47 4.42 1.43 0.93 -4.97 118.68 124.61 1rne s LEU 269 Ca -0.02 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1rne s LEU 269 Cb -0.14 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1rne s LEU 269 CO 0.02 0.33 0.50 0.42 0.23 0.00 0.00 176.35 177.86 1rne s THR 270 N -0.63 2.45 0.38 5.49 -4.23 -1.26 -1.24 115.64 116.61 1rne s THR 270 Ca 0.10 -1.23 0.21 0.00 -1.18 0.00 0.00 61.69 59.58 1rne s THR 270 Cb -0.12 -2.68 0.39 0.00 1.34 0.00 0.00 72.50 71.43 1rne s THR 270 CO 0.02 0.00 1.66 0.77 -0.54 0.00 0.00 174.62 176.53 1rne h SER 271 N 0.73 0.40 0.67 3.99 4.64 -1.77 0.72 113.55 122.94 1rne h SER 271 Ca -0.38 0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1rne h SER 271 Cb 1.28 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1rne h SER 271 CO 0.52 -0.15 -0.02 0.00 -0.87 0.00 0.00 176.83 176.31 1rne h ALA 272 N 1.75 1.02 0.00 5.18 0.00 -1.90 -2.17 119.26 123.15 1rne h ALA 272 Ca 0.75 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.58 1rne h ALA 272 Cb 1.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1rne h ALA 272 CO -0.52 0.02 -1.74 -0.25 0.00 0.00 0.00 179.25 176.76 1rne n ASP 273 N -3.14 0.31 -0.07 0.00 8.00 0.25 -4.58 116.55 117.32 1rne n ASP 273 Ca -0.01 0.12 0.01 0.00 0.71 0.00 0.00 54.79 55.62 1rne n ASP 273 Cb 0.24 1.27 0.01 0.00 -0.02 0.00 0.00 41.12 42.62 1rne n ASP 273 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rne n TYR 274 N -2.50 0.04 -4.82 1.24 0.18 -0.96 -4.95 117.16 105.38 1rne n TYR 274 Ca -0.08 -0.34 -0.33 0.00 1.88 0.00 0.00 57.90 59.03 1rne n TYR 274 Cb 0.68 -0.03 -0.14 0.00 -0.38 0.00 0.00 39.34 39.46 1rne n TYR 274 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1rne s VAL 275 N -0.72 3.00 -1.17 -3.48 1.01 -0.84 0.30 120.40 118.50 1rne s VAL 275 Ca 0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1rne s VAL 275 Cb 0.01 -2.24 0.13 0.00 0.00 0.00 0.00 36.38 34.28 1rne s VAL 275 CO 0.02 0.54 1.47 -0.36 0.00 0.00 0.00 175.10 176.76 1rne s PHE 276 N 0.20 3.18 -0.98 5.22 0.08 0.13 -4.89 117.98 120.91 1rne s PHE 276 Ca -0.08 -1.78 -0.24 0.00 0.12 0.00 0.00 56.93 54.94 1rne s PHE 276 Cb -0.15 -4.46 -0.16 0.00 -0.57 0.00 0.00 43.02 37.69 1rne s PHE 276 CO 0.05 -1.56 1.93 0.94 -0.10 0.00 0.00 175.22 176.48 1rne n GLN 277 N 6.77 1.18 0.01 0.44 -0.06 -1.26 -4.14 117.38 120.31 1rne n GLN 277 Ca 0.38 -2.08 -0.06 0.00 -2.00 0.00 0.00 57.00 53.23 1rne n GLN 277 Cb 0.45 -3.50 0.14 0.00 -4.06 0.00 0.00 30.24 23.27 1rne n GLN 277 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 1rne h GLU 278 N 9.70 0.52 -3.31 3.69 4.11 -1.95 -3.46 114.58 123.87 1rne h GLU 278 Ca 0.23 -0.24 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 1rne h GLU 278 Cb 0.87 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.99 1rne h GLU 278 CO 1.41 0.80 -0.01 -1.12 0.07 0.00 0.00 179.01 180.16 1rne s SER 279 N -6.84 -0.30 -1.06 3.06 0.01 -1.26 -5.21 113.70 102.10 1rne s SER 279 Ca -0.07 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 1rne s SER 279 Cb 0.13 0.50 0.31 0.00 0.21 0.00 0.00 66.02 67.17 1rne s SER 279 CO 0.81 -0.88 1.55 -1.22 0.41 0.00 0.00 173.24 173.91 1rne n TYR 280 N -0.26 2.39 -3.54 2.43 4.01 -1.26 -4.58 117.16 116.35 1rne n TYR 280 Ca -0.16 -2.60 -0.29 0.00 -0.16 0.00 0.00 57.90 54.69 1rne n TYR 280 Cb 0.64 -1.22 -0.13 0.00 -0.31 0.00 0.00 39.34 38.32 1rne n TYR 280 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1rne s SER 281 N -1.73 3.21 0.00 7.72 1.04 -1.26 -3.97 113.70 118.71 1rne s SER 281 Ca 0.33 -2.23 0.00 0.00 0.48 0.00 0.00 55.95 54.53 1rne s SER 281 Cb 0.09 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1rne s SER 281 CO 0.05 -0.31 0.00 0.29 0.98 0.00 0.00 173.24 174.25 1rne n LYS 281 N 4.01 0.00 -2.16 4.02 5.02 -1.26 -4.89 118.16 122.90 1rne n LYS 281 Ca 0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1rne n LYS 281 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 1rne n LYS 281 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rne s LEU 281 N 0.00 4.32 -0.10 -0.35 1.02 -1.26 0.10 118.68 122.42 1rne s LEU 281 Ca 0.00 2.17 -0.03 0.00 0.02 0.00 0.00 54.13 56.29 1rne s LEU 281 Cb 0.00 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.62 1rne s LEU 281 CO 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 176.35 175.63 1rne s THR 283 N -0.83 4.24 0.03 0.00 2.01 -1.26 -1.43 115.64 118.40 1rne s THR 283 Ca 0.13 2.00 -0.11 0.00 0.31 0.00 0.00 61.69 64.01 1rne s THR 283 Cb -0.12 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 1rne s THR 283 CO 0.02 0.46 0.38 -0.76 -0.69 0.00 0.00 174.62 174.04 1rne s LEU 284 N -0.89 4.40 -0.68 4.42 1.43 -0.57 0.19 118.68 126.98 1rne s LEU 284 Ca 0.41 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 54.30 1rne s LEU 284 Cb -0.25 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.26 1rne s LEU 284 CO 0.30 0.25 2.74 0.00 0.23 0.00 0.00 176.35 179.87 1rne n ALA 285 N 1.34 6.58 -3.22 4.21 0.00 0.15 -4.55 120.51 125.02 1rne n ALA 285 Ca -0.11 -3.25 -0.13 0.00 0.00 0.00 0.00 53.44 49.95 1rne n ALA 285 Cb 0.52 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 1rne n ALA 285 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rne s ILE 286 N -1.59 0.01 0.35 0.00 1.01 -1.26 -2.82 121.20 116.89 1rne s ILE 286 Ca 0.59 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 1rne s ILE 286 Cb 0.32 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 42.34 1rne s ILE 286 CO -0.17 -0.03 0.60 -1.38 0.00 0.00 0.00 174.94 173.96 1rne s HIS 287 N -0.00 0.61 0.15 3.97 -3.43 -0.57 -4.50 115.29 111.51 1rne s HIS 287 Ca -0.02 -1.02 -0.08 0.00 -0.80 0.00 0.00 55.06 53.15 1rne s HIS 287 Cb -0.03 0.30 -0.06 0.00 -1.43 0.00 0.00 32.58 31.37 1rne s HIS 287 CO 0.01 -1.28 0.43 0.00 -2.00 0.00 0.00 174.74 171.89 1rne s ALA 288 N -2.92 3.71 -0.27 -1.38 0.00 -1.26 -3.27 121.76 116.37 1rne s ALA 288 Ca 0.24 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 1rne s ALA 288 Cb -0.02 -2.25 0.14 0.00 0.00 0.00 0.00 23.12 20.99 1rne s ALA 288 CO 0.15 0.60 0.56 -1.64 0.00 0.00 0.00 175.76 175.43 1rne s MET 289 N -2.46 0.50 -0.54 0.00 -1.94 0.19 -4.87 119.30 110.18 1rne s MET 289 Ca 0.40 1.13 -0.23 0.00 -1.71 0.00 0.00 55.69 55.28 1rne s MET 289 Cb -0.12 0.51 0.04 0.00 2.01 0.00 0.00 34.83 37.27 1rne s MET 289 CO 0.22 -0.39 0.89 -0.51 -0.01 0.00 0.00 175.02 175.22 1rne s ASP 290 N 2.79 6.32 -0.27 3.03 1.01 -1.26 -3.95 116.67 124.34 1rne s ASP 290 Ca 0.05 -0.43 -0.13 0.00 0.71 0.00 0.00 52.55 52.75 1rne s ASP 290 Cb -0.13 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1rne s ASP 290 CO -0.18 -1.17 0.30 -0.63 0.21 0.00 0.00 175.17 173.69 1rne s ILE 291 N 3.75 5.23 0.73 0.77 1.01 -1.26 -5.06 121.20 126.37 1rne s ILE 291 Ca 0.28 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.20 1rne s ILE 291 Cb -0.13 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1rne s ILE 291 CO 0.18 0.20 1.14 -2.84 0.00 0.00 0.00 174.94 173.62 1rne s PRO 292 N 1.93 2.31 0.83 2.79 0.02 -1.26 -3.22 135.00 138.40 1rne s PRO 292 Ca 0.12 1.49 -0.12 0.00 0.02 0.00 0.00 61.00 62.51 1rne s PRO 292 Cb -0.16 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.57 1rne s PRO 292 CO 0.10 -1.65 1.14 -1.25 -0.33 0.00 0.00 177.00 175.01 1rne s PRO 293 N -4.23 1.79 0.53 5.54 0.05 -1.15 -0.20 135.00 137.33 1rne s PRO 293 Ca 0.68 0.34 0.32 0.00 0.05 0.00 0.00 61.00 62.38 1rne s PRO 293 Cb -0.23 -1.91 1.29 0.00 0.05 0.00 0.00 34.50 33.70 1rne s PRO 293 CO 0.47 -1.76 1.96 -1.00 0.05 0.00 0.00 177.00 176.72 1rne h PRO 294 N -1.18 0.00 -0.22 0.56 0.13 -2.04 -3.43 132.00 125.81 1rne h PRO 294 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1rne h PRO 294 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1rne h PRO 294 CO 0.63 0.05 -0.49 0.00 -0.23 0.00 0.00 178.00 177.96 1rne h THR 295 N 0.00 1.31 -2.02 1.56 1.03 -1.89 -3.44 112.91 109.45 1rne h THR 295 Ca -0.00 -1.70 -0.44 0.00 -0.01 0.00 0.00 66.41 64.26 1rne h THR 295 Cb 0.55 1.67 0.03 0.00 -1.07 0.00 0.00 68.15 69.32 1rne h THR 295 CO 0.01 0.54 -0.19 -0.83 -0.01 0.00 0.00 175.52 175.03 1rne s GLY 296 N -4.08 1.77 0.16 2.99 0.00 0.71 -4.43 107.32 104.44 1rne s GLY 296 Ca -0.08 -1.43 -0.28 0.00 0.00 0.00 0.00 44.72 42.93 1rne s GLY 296 CO 0.84 -1.25 0.88 -4.14 0.00 0.00 0.00 173.10 169.44 1rne s PRO 297 N -4.45 4.70 0.16 2.90 0.02 -1.20 -2.92 135.00 134.20 1rne s PRO 297 Ca 0.52 1.34 -0.13 0.00 0.02 0.00 0.00 61.00 62.76 1rne s PRO 297 Cb -0.10 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 31.12 1rne s PRO 297 CO 0.35 0.42 0.36 -0.08 -0.33 0.00 0.00 177.00 177.72 1rne s THR 298 N -0.72 0.07 0.76 0.99 -1.32 -1.26 -4.67 115.64 109.48 1rne s THR 298 Ca 0.41 -1.05 -0.07 0.00 -1.21 0.00 0.00 61.69 59.76 1rne s THR 298 Cb -0.24 -1.59 0.10 0.00 -1.51 0.00 0.00 72.50 69.27 1rne s THR 298 CO 0.29 -0.30 1.07 0.26 -2.21 0.00 0.00 174.62 173.74 1rne s TRP 299 N -3.90 2.39 -0.15 9.09 0.52 0.45 -4.47 118.94 122.86 1rne s TRP 299 Ca 0.11 0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.46 1rne s TRP 299 Cb 0.02 -3.35 0.07 0.00 -1.15 0.00 0.00 33.47 29.06 1rne s TRP 299 CO -0.04 -1.72 0.14 0.00 0.02 0.00 0.00 176.95 175.35 1rne s ALA 300 N -3.36 0.06 -0.59 0.98 0.00 -0.47 -0.61 121.76 117.78 1rne s ALA 300 Ca 0.64 0.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1rne s ALA 300 Cb -0.08 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 22.06 1rne s ALA 300 CO 0.46 -1.00 0.84 -0.51 0.00 0.00 0.00 175.76 175.56 1rne s LEU 301 N 2.23 4.65 0.00 0.00 1.43 -0.01 -0.52 118.68 126.47 1rne s LEU 301 Ca 0.04 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1rne s LEU 301 Cb -0.15 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1rne s LEU 301 CO -0.09 -1.22 0.00 0.61 0.23 0.00 0.00 176.35 175.88 1rne n GLY 302 N 5.25 1.62 0.43 -3.19 0.00 -1.05 -1.94 105.19 106.30 1rne n GLY 302 Ca -0.04 -1.87 0.24 0.00 0.00 0.00 0.00 46.02 44.35 1rne n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rne h ALA 303 N -1.19 2.52 -0.84 4.61 0.00 -1.22 0.22 119.26 123.36 1rne h ALA 303 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rne h ALA 303 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1rne h ALA 303 CO 0.00 -0.81 0.55 1.15 0.00 0.00 0.00 179.25 180.14 1rne h THR 304 N 0.22 1.16 0.06 0.00 2.02 -1.79 -0.62 112.91 113.96 1rne h THR 304 Ca 0.47 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1rne h THR 304 Cb 1.49 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1rne h THR 304 CO -0.12 0.20 -0.03 0.15 0.37 0.00 0.00 175.52 176.09 1rne h PHE 305 N 1.07 -0.08 -0.98 3.16 3.57 -0.93 -3.31 116.94 119.44 1rne h PHE 305 Ca 0.32 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.00 1rne h PHE 305 Cb -0.02 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.65 1rne h PHE 305 CO -0.00 0.50 0.61 0.82 -2.23 0.00 0.00 178.31 178.01 1rne h ILE 306 N -0.88 0.74 -0.55 1.41 2.04 -1.23 0.03 117.51 119.05 1rne h ILE 306 Ca -0.01 -0.25 0.16 0.00 1.00 0.00 0.00 64.86 65.77 1rne h ILE 306 Cb 0.61 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1rne h ILE 306 CO 0.01 0.13 0.43 0.03 0.00 0.00 0.00 178.15 178.76 1rne h ARG 307 N 0.72 0.00 0.00 2.37 3.08 -1.20 -2.26 114.38 117.09 1rne h ARG 307 Ca 0.54 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.23 1rne h ARG 307 Cb 0.90 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.88 1rne h ARG 307 CO -0.31 0.00 -2.32 1.17 -1.07 0.00 0.00 179.97 177.44 1rne n LYS 308 N -4.19 0.68 -4.00 0.04 4.81 -0.14 -4.79 118.16 110.57 1rne n LYS 308 Ca 0.10 0.03 -0.32 0.00 -0.87 0.00 0.00 58.31 57.25 1rne n LYS 308 Cb 0.66 -1.55 -0.15 0.00 0.02 0.00 0.00 35.03 34.01 1rne n LYS 308 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1rne s PHE 309 N -2.50 3.51 -0.24 5.64 0.08 -0.42 -1.60 117.98 122.45 1rne s PHE 309 Ca -0.11 -2.58 -0.36 0.00 0.12 0.00 0.00 56.93 54.00 1rne s PHE 309 Cb 0.06 -2.50 -0.13 0.00 -0.57 0.00 0.00 43.02 39.89 1rne s PHE 309 CO 0.82 -0.91 1.95 0.98 -0.10 0.00 0.00 175.22 177.96 1rne n TYR 310 N 4.39 2.00 -4.23 0.36 4.19 0.16 -4.46 117.16 119.57 1rne n TYR 310 Ca -0.05 0.24 -0.34 0.00 3.31 0.00 0.00 57.90 61.06 1rne n TYR 310 Cb 0.42 -2.56 -0.10 0.00 0.49 0.00 0.00 39.34 37.59 1rne n TYR 310 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1rne s THR 311 N 5.12 4.40 -0.16 2.97 2.01 -1.04 -1.34 115.64 127.60 1rne s THR 311 Ca 1.00 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.80 1rne s THR 311 Cb -0.85 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1rne s THR 311 CO 0.55 0.52 -0.10 -0.70 -0.69 0.00 0.00 174.62 174.19 1rne s GLU 312 N -0.03 3.38 -0.36 4.92 2.12 0.12 -1.16 118.70 127.68 1rne s GLU 312 Ca 0.04 -0.66 -0.08 0.00 0.36 0.00 0.00 54.97 54.63 1rne s GLU 312 Cb -0.13 -2.77 0.04 0.00 0.26 0.00 0.00 34.13 31.54 1rne s GLU 312 CO 0.02 0.06 0.15 -0.06 -0.54 0.00 0.00 175.26 174.89 1rne s PHE 313 N 0.77 3.27 -0.38 5.30 0.40 0.11 -0.74 117.98 126.71 1rne s PHE 313 Ca -0.04 -1.33 -0.05 0.00 -0.60 0.00 0.00 56.93 54.92 1rne s PHE 313 Cb -0.15 -2.41 0.08 0.00 0.51 0.00 0.00 43.02 41.05 1rne s PHE 313 CO 0.01 -0.73 0.16 0.34 0.70 0.00 0.00 175.22 175.70 1rne s ASP 314 N 1.53 5.27 0.17 1.36 2.15 -0.95 -1.49 116.67 124.72 1rne s ASP 314 Ca -0.00 -1.62 0.02 0.00 0.43 0.00 0.00 52.55 51.38 1rne s ASP 314 Cb -0.20 -1.84 0.02 0.00 -0.30 0.00 0.00 42.92 40.60 1rne s ASP 314 CO 0.04 -0.45 1.40 0.03 -0.17 0.00 0.00 175.17 176.01 1rne h ARG 315 N 8.15 0.23 0.53 4.34 2.47 -1.55 -0.50 114.38 128.05 1rne h ARG 315 Ca -0.19 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.27 1rne h ARG 315 Cb 1.06 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.45 1rne h ARG 315 CO 0.66 0.95 -0.25 -0.09 0.56 0.00 0.00 179.97 181.79 1rne h ARG 316 N 0.14 -0.69 -0.03 0.04 9.65 -1.82 -3.28 114.38 118.39 1rne h ARG 316 Ca -0.04 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1rne h ARG 316 Cb 1.45 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 1rne h ARG 316 CO 0.13 -0.38 0.00 0.09 2.80 0.00 0.00 179.97 182.61 1rne n ASN 317 N -5.31 0.55 -3.63 -3.80 3.02 -1.25 -4.95 115.26 99.89 1rne n ASN 317 Ca -0.11 -1.36 -0.20 0.00 -0.03 0.00 0.00 54.58 52.87 1rne n ASN 317 Cb 0.32 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.52 1rne n ASN 317 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rne n ASN 318 N -0.49 -1.63 -3.88 6.41 4.13 -0.31 -4.88 115.26 114.61 1rne n ASN 318 Ca 0.18 -0.78 -0.11 0.00 1.68 0.00 0.00 54.58 55.56 1rne n ASN 318 Cb 0.17 -4.31 -0.06 0.00 -1.54 0.00 0.00 39.78 34.05 1rne n ASN 318 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rne s ARG 319 N -5.79 1.56 -0.05 3.52 1.70 -0.54 -0.89 118.95 118.46 1rne s ARG 319 Ca 0.03 -1.42 0.04 0.00 -0.47 0.00 0.00 55.73 53.91 1rne s ARG 319 Cb -0.01 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1rne s ARG 319 CO 0.79 -0.63 -0.16 0.42 -1.08 0.00 0.00 175.30 174.64 1rne s ILE 320 N -3.84 1.35 0.14 4.99 1.01 0.56 -2.24 121.20 123.17 1rne s ILE 320 Ca 0.27 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1rne s ILE 320 Cb 0.01 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1rne s ILE 320 CO 0.12 0.40 -0.12 -0.83 0.00 0.00 0.00 174.94 174.50 1rne s GLY 321 N 0.25 1.74 0.03 6.18 0.00 0.08 -0.80 107.32 114.80 1rne s GLY 321 Ca -0.08 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.31 1rne s GLY 321 CO 0.03 -1.36 -0.11 -1.36 0.00 0.00 0.00 173.10 170.30 1rne s PHE 322 N -1.40 0.96 0.07 1.90 0.08 -0.34 0.13 117.98 119.39 1rne s PHE 322 Ca 0.22 -0.33 -0.08 0.00 0.12 0.00 0.00 56.93 56.86 1rne s PHE 322 Cb -0.10 -0.58 -0.00 0.00 -0.57 0.00 0.00 43.02 41.77 1rne s PHE 322 CO 0.13 -0.00 0.18 0.00 -0.10 0.00 0.00 175.22 175.43 1rne s ALA 323 N -0.79 -0.22 0.08 5.36 0.00 -0.45 -1.65 121.76 124.09 1rne s ALA 323 Ca -0.01 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1rne s ALA 323 Cb -0.07 0.41 -0.08 0.00 0.00 0.00 0.00 23.12 23.39 1rne s ALA 323 CO 0.01 -0.46 1.49 -1.17 0.00 0.00 0.00 175.76 175.63 1rne s LEU 324 N -2.63 4.36 0.55 0.00 2.96 -1.23 0.39 118.68 123.08 1rne s LEU 324 Ca 0.02 2.36 -0.18 0.00 -0.22 0.00 0.00 54.13 56.11 1rne s LEU 324 Cb 0.03 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1rne s LEU 324 CO -0.09 -0.76 1.08 0.00 -1.32 0.00 0.00 176.35 175.26 1rne s ALA 325 N 1.86 2.73 0.00 5.97 0.00 -0.63 -0.40 121.76 131.29 1rne s ALA 325 Ca 0.68 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1rne s ALA 325 Cb -0.37 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1rne s ALA 325 CO 0.30 -0.71 0.00 2.89 0.00 0.00 0.00 175.76 178.24