#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s LEU 7 N 0.00 3.38 -0.10 4.37 1.43 -1.26 0.09 118.68 126.59 1t60 s LEU 7 Ca 0.00 -1.36 -0.08 0.00 -1.03 0.00 0.00 54.13 51.66 1t60 s LEU 7 Cb 0.00 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1t60 s LEU 7 CO 0.00 -0.18 0.19 0.54 0.23 0.00 0.00 176.35 177.13 1t60 s VAL 8 N 1.11 5.43 -0.06 -1.59 0.11 0.37 -4.71 120.40 121.06 1t60 s VAL 8 Ca -0.08 0.32 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1t60 s VAL 8 Cb -0.20 -3.45 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 1t60 s VAL 8 CO -0.05 0.61 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.24 1t60 s THR 9 N -1.04 2.54 0.02 5.04 2.01 -1.24 -0.59 115.64 122.39 1t60 s THR 9 Ca 0.16 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1t60 s THR 9 Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1t60 s THR 9 CO 0.06 0.57 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.77 1t60 s ARG 10 N -0.38 1.35 -0.13 4.92 3.52 -0.44 -4.79 118.95 123.00 1t60 s ARG 10 Ca 0.03 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1t60 s ARG 10 Cb -0.12 -1.38 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1t60 s ARG 10 CO 0.02 0.36 -0.22 -1.01 -0.81 0.00 0.00 175.30 173.64 1t60 s HIS 11 N -0.66 2.64 0.21 5.12 3.76 -1.26 -0.96 115.29 124.14 1t60 s HIS 11 Ca 0.06 -1.22 0.05 0.00 -0.15 0.00 0.00 55.06 53.81 1t60 s HIS 11 Cb -0.08 -1.78 0.14 0.00 1.11 0.00 0.00 32.58 31.97 1t60 s HIS 11 CO 0.01 -0.54 1.48 0.66 -0.85 0.00 0.00 174.74 175.50 1t60 h SER 12 N 7.11 0.18 -1.39 1.40 4.64 -1.38 -3.46 113.55 120.65 1t60 h SER 12 Ca -0.28 -0.13 -0.25 0.00 -0.47 0.00 0.00 61.79 60.66 1t60 h SER 12 Cb 1.21 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1t60 h SER 12 CO 0.53 0.85 -0.29 0.00 -0.87 0.00 0.00 176.83 177.05 1t60 n GLN 13 N -3.74 -0.96 -4.03 4.77 6.02 -1.26 -4.97 117.38 113.21 1t60 n GLN 13 Ca -0.02 0.72 -0.13 0.00 -0.01 0.00 0.00 57.00 57.55 1t60 n GLN 13 Cb 0.71 -4.86 -0.03 0.00 1.02 0.00 0.00 30.24 27.08 1t60 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 14 N -2.57 0.00 -1.47 5.09 -4.23 -1.26 -4.15 115.64 107.04 1t60 s THR 14 Ca 0.00 -1.48 0.28 0.00 -1.18 0.00 0.00 61.69 59.31 1t60 s THR 14 Cb 0.00 -2.67 0.51 0.00 1.34 0.00 0.00 72.50 71.69 1t60 s THR 14 CO 0.00 0.00 1.98 0.35 -0.54 0.00 0.00 174.62 176.41 1t60 n THR 15 N -0.55 0.08 -3.33 3.99 -2.24 -1.26 -2.02 114.28 108.95 1t60 n THR 15 Ca -0.01 0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 1t60 n THR 15 Cb 0.61 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 1t60 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t60 s ASP 16 N -2.53 6.89 0.12 3.42 1.01 -1.26 -4.82 116.67 119.50 1t60 s ASP 16 Ca 0.28 1.14 -0.31 0.00 0.71 0.00 0.00 52.55 54.37 1t60 s ASP 16 Cb 0.19 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 1t60 s ASP 16 CO 0.42 0.15 1.55 -1.81 0.21 0.00 0.00 175.17 175.69 1t60 s ASP 17 N -1.55 6.65 0.76 0.27 -0.00 -1.26 -4.50 116.67 117.04 1t60 s ASP 17 Ca 0.36 2.50 -0.11 0.00 -0.00 0.00 0.00 52.55 55.29 1t60 s ASP 17 Cb -0.16 -2.58 0.05 0.00 -0.00 0.00 0.00 42.92 40.22 1t60 s ASP 17 CO 0.19 -0.80 1.08 -2.16 -0.00 0.00 0.00 175.17 173.48 1t60 s PRO 18 N 1.61 2.39 0.00 8.23 0.04 -1.26 -5.00 135.00 141.01 1t60 s PRO 18 Ca 0.70 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 1t60 s PRO 18 Cb -0.41 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1t60 s PRO 18 CO 0.31 -1.43 0.08 -0.65 0.04 0.00 0.00 177.00 175.35 1t60 s GLN 19 N -5.13 3.03 0.36 4.56 -1.52 -1.26 -4.71 119.66 114.99 1t60 s GLN 19 Ca 0.60 -0.51 -0.28 0.00 -1.95 0.00 0.00 55.36 53.22 1t60 s GLN 19 Cb -0.14 -2.84 -0.11 0.00 -0.22 0.00 0.00 33.01 29.71 1t60 s GLN 19 CO 0.54 0.64 1.41 0.00 -0.25 0.00 0.00 175.29 177.64 1t60 s PRO 21 N -1.98 1.65 0.36 0.00 0.04 -1.26 -4.89 135.00 128.92 1t60 s PRO 21 Ca 0.51 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 1t60 s PRO 21 Cb -0.44 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 1t60 s PRO 21 CO 0.59 -2.05 1.18 -0.35 0.04 0.00 0.00 177.00 176.41 1t60 n PRO 22 N -3.79 1.80 -0.39 0.56 -0.04 -1.26 -2.28 135.00 129.59 1t60 n PRO 22 Ca 0.09 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1t60 n PRO 22 Cb 0.54 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t60 n GLY 23 N 0.94 0.98 3.27 0.55 0.00 -1.26 -5.03 105.19 104.63 1t60 n GLY 23 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1t60 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 24 N -2.92 1.52 -0.03 2.61 -4.23 -0.97 -4.21 115.64 107.41 1t60 s THR 24 Ca 0.00 -1.68 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1t60 s THR 24 Cb 0.00 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 1t60 s THR 24 CO 0.00 -0.29 -0.25 -1.59 -0.54 0.00 0.00 174.62 171.95 1t60 s LYS 25 N -2.42 2.22 0.42 3.99 -2.85 -0.67 -4.72 119.74 115.71 1t60 s LYS 25 Ca 0.09 -0.91 -0.26 0.00 -1.00 0.00 0.00 55.97 53.89 1t60 s LYS 25 Cb -0.07 -2.08 -0.09 0.00 -2.06 0.00 0.00 37.83 33.53 1t60 s LYS 25 CO 0.04 0.53 1.37 -1.50 0.10 0.00 0.00 175.35 175.88 1t60 s ILE 26 N -0.52 2.36 -0.12 3.79 1.10 -1.26 -0.02 121.20 126.53 1t60 s ILE 26 Ca 0.07 0.33 -0.06 0.00 -0.51 0.00 0.00 60.65 60.48 1t60 s ILE 26 Cb -0.11 -3.19 -0.05 0.00 0.15 0.00 0.00 42.46 39.26 1t60 s ILE 26 CO 0.00 0.05 -0.15 0.18 -2.11 0.00 0.00 174.94 172.91 1t60 n LEU 27 N 0.05 0.93 -3.53 8.50 4.77 0.86 -4.82 117.00 123.76 1t60 n LEU 27 Ca 0.04 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1t60 n LEU 27 Cb 0.42 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1t60 n LEU 27 CO 0.58 0.27 0.67 -0.72 -1.33 0.00 0.00 177.39 176.86 1t60 s TYR 28 N -2.21 -0.33 0.28 -1.77 -0.85 -1.19 -5.03 117.35 106.26 1t60 s TYR 28 Ca -0.16 0.16 0.10 0.00 -0.52 0.00 0.00 57.07 56.65 1t60 s TYR 28 Cb 0.06 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 1t60 s TYR 28 CO 0.21 -0.60 -0.00 -1.01 -1.52 0.00 0.00 175.55 172.62 1t60 s HIS 29 N -3.18 2.65 0.00 -3.49 3.76 -1.26 -1.39 115.29 112.37 1t60 s HIS 29 Ca 0.06 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1t60 s HIS 29 Cb -0.01 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.42 1t60 s HIS 29 CO -0.08 0.58 0.00 0.41 -0.85 0.00 0.00 174.74 174.81 1t60 n GLY 30 N -0.91 2.09 3.66 -2.22 0.00 -0.55 -4.60 105.19 102.66 1t60 n GLY 30 Ca -0.06 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1t60 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 31 N -2.35 3.18 -0.62 1.61 1.51 0.11 -1.00 117.35 119.79 1t60 s TYR 31 Ca 0.00 0.13 -0.27 0.00 -1.01 0.00 0.00 57.07 55.92 1t60 s TYR 31 Cb 0.00 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1t60 s TYR 31 CO 0.00 0.38 1.73 -1.12 -1.11 0.00 0.00 175.55 175.43 1t60 s SER 32 N -0.57 5.50 -0.22 2.29 0.01 -0.45 -1.66 113.70 118.59 1t60 s SER 32 Ca 0.10 0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.40 1t60 s SER 32 Cb -0.12 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 32 CO 0.02 -2.22 0.56 -0.22 0.41 0.00 0.00 173.24 171.79 1t60 s LEU 33 N 8.22 4.11 -0.17 2.44 2.96 0.78 -1.61 118.68 135.41 1t60 s LEU 33 Ca 0.61 0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 55.02 1t60 s LEU 33 Cb -0.12 -2.76 -0.14 0.00 0.50 0.00 0.00 46.19 43.67 1t60 s LEU 33 CO 0.20 -0.25 0.17 0.25 -1.32 0.00 0.00 176.35 175.40 1t60 h LEU 34 N 8.32 0.00 -7.48 -0.68 5.85 -1.14 -3.41 115.31 116.78 1t60 h LEU 34 Ca -0.31 -0.40 0.23 0.00 0.84 0.00 0.00 57.88 58.24 1t60 h LEU 34 Cb 1.14 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1t60 h LEU 34 CO 0.75 1.14 0.61 -0.72 -0.34 0.00 0.00 178.44 179.88 1t60 s TYR 35 N -2.24 -0.11 0.32 1.25 1.13 -1.08 -2.46 117.35 114.16 1t60 s TYR 35 Ca -0.21 -0.12 0.05 0.00 -1.41 0.00 0.00 57.07 55.38 1t60 s TYR 35 Cb 0.03 0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 41.43 1t60 s TYR 35 CO 0.46 -0.62 0.01 0.14 -2.51 0.00 0.00 175.55 173.03 1t60 s VAL 36 N -2.96 1.45 -0.14 -3.49 -7.23 -0.33 -0.12 120.40 107.58 1t60 s VAL 36 Ca 0.13 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 1t60 s VAL 36 Cb 0.01 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1t60 s VAL 36 CO -0.00 -0.12 0.08 -1.58 -0.31 0.00 0.00 175.10 173.17 1t60 s GLN 37 N -3.81 0.02 -0.08 4.82 0.74 -0.60 -0.69 119.66 120.06 1t60 s GLN 37 Ca 0.34 0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.83 1t60 s GLN 37 Cb 0.07 -1.46 0.00 0.00 1.10 0.00 0.00 33.01 32.72 1t60 s GLN 37 CO 0.14 -0.58 -0.21 0.20 -0.55 0.00 0.00 175.29 174.30 1t60 s GLY 38 N 2.15 1.18 -1.53 2.59 0.00 -0.34 -1.37 107.32 110.00 1t60 s GLY 38 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 1t60 s GLY 38 CO -0.07 -0.26 0.74 -2.01 0.00 0.00 0.00 173.10 171.49 1t60 n ASN 39 N 3.51 -2.70 -0.43 1.64 5.15 -1.26 -1.44 115.26 119.72 1t60 n ASN 39 Ca -0.20 -0.92 -0.06 0.00 -0.60 0.00 0.00 54.58 52.81 1t60 n ASN 39 Cb 0.53 -3.32 -0.02 0.00 -0.53 0.00 0.00 39.78 36.43 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1t60 n GLU 40 N -4.47 -0.88 -4.84 1.20 1.02 -1.26 -5.01 120.64 106.41 1t60 n GLU 40 Ca -0.08 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.31 1t60 n GLU 40 Cb 0.58 -4.44 -0.17 0.00 -0.02 0.00 0.00 31.44 27.39 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t60 s ARG 41 N -2.00 3.05 0.28 3.49 3.52 -0.52 -5.04 118.95 121.73 1t60 s ARG 41 Ca 0.00 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 54.56 1t60 s ARG 41 Cb 0.00 -2.41 -0.09 0.00 -1.56 0.00 0.00 34.95 30.89 1t60 s ARG 41 CO 0.00 0.05 0.78 0.00 -0.81 0.00 0.00 175.30 175.32 1t60 s ALA 42 N 0.65 3.33 -0.15 6.12 0.00 -1.26 -1.20 121.76 129.25 1t60 s ALA 42 Ca -0.11 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1t60 s ALA 42 Cb -0.16 -2.88 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1t60 s ALA 42 CO 0.02 0.29 0.22 -1.58 0.00 0.00 0.00 175.76 174.71 1t60 s HIS 43 N -1.73 -0.31 0.41 0.00 2.46 0.13 -4.95 115.29 111.30 1t60 s HIS 43 Ca 0.49 0.58 0.08 0.00 0.47 0.00 0.00 55.06 56.68 1t60 s HIS 43 Cb -0.14 -0.22 0.01 0.00 -0.13 0.00 0.00 32.58 32.09 1t60 s HIS 43 CO 0.20 -0.44 0.55 0.20 -2.47 0.00 0.00 174.74 172.78 1t60 s GLY 44 N 2.35 1.92 -0.17 1.59 0.00 -1.26 -1.19 107.32 110.57 1t60 s GLY 44 Ca 0.04 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.11 1t60 s GLY 44 CO -0.09 -1.49 -0.15 1.20 0.00 0.00 0.00 173.10 172.57 1t60 s GLN 45 N -4.33 2.41 -0.00 2.90 -1.52 -1.03 -4.97 119.66 113.12 1t60 s GLN 45 Ca 0.54 -0.71 -0.35 0.00 -1.95 0.00 0.00 55.36 52.88 1t60 s GLN 45 Cb -0.10 -2.31 -0.14 0.00 -0.22 0.00 0.00 33.01 30.24 1t60 s GLN 45 CO 0.33 -0.28 1.68 -3.47 -0.25 0.00 0.00 175.29 173.30 1t60 n ASP 46 N 4.70 2.93 0.12 5.90 -0.08 -1.26 -4.61 116.55 124.26 1t60 n ASP 46 Ca -0.17 1.05 0.07 0.00 -1.51 0.00 0.00 54.79 54.23 1t60 n ASP 46 Cb 0.49 -1.33 0.39 0.00 2.34 0.00 0.00 41.12 43.01 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1t60 n LEU 47 N 4.78 0.37 -0.55 -2.67 4.77 -1.26 -0.63 117.00 121.81 1t60 n LEU 47 Ca 0.21 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.96 1t60 n LEU 47 Cb 0.25 -0.67 0.33 0.00 -2.33 0.00 0.00 43.42 41.00 1t60 n LEU 47 CO 0.69 -0.77 0.70 0.61 -1.33 0.00 0.00 177.39 177.29 1t60 n GLY 48 N -1.33 0.12 3.70 -0.72 0.00 -1.26 -4.41 105.19 101.27 1t60 n GLY 48 Ca -0.01 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1t60 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 49 N -2.16 3.28 0.54 2.61 -4.23 0.20 -3.65 115.64 112.24 1t60 s THR 49 Ca 0.31 -1.78 0.41 0.00 -1.18 0.00 0.00 61.69 59.44 1t60 s THR 49 Cb 0.20 -2.94 0.42 0.00 1.34 0.00 0.00 72.50 71.52 1t60 s THR 49 CO 0.39 -0.28 2.28 0.00 -0.54 0.00 0.00 174.62 176.47 1t60 h ALA 50 N 1.70 1.06 0.00 3.99 0.00 -1.84 -2.40 119.26 121.77 1t60 h ALA 50 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1t60 h ALA 50 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t60 h ALA 50 CO 0.62 0.01 -0.05 0.78 0.00 0.00 0.00 179.25 180.61 1t60 h GLY 51 N 0.44 0.00 -0.28 0.00 0.00 -1.95 -1.28 103.07 100.00 1t60 h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 52 N -3.28 0.96 -3.87 0.19 3.41 -0.90 -4.57 113.62 105.56 1t60 n SER 52 Ca -0.01 -1.63 -0.30 0.00 -0.26 0.00 0.00 58.87 56.66 1t60 n SER 52 Cb 0.21 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 63.95 1t60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 54 N 1.03 4.36 0.39 0.00 1.02 -0.67 -4.82 118.68 120.00 1t60 s LEU 54 Ca 0.12 0.68 0.10 0.00 0.02 0.00 0.00 54.13 55.05 1t60 s LEU 54 Cb -0.19 -2.40 0.81 0.00 0.02 0.00 0.00 46.19 44.42 1t60 s LEU 54 CO -0.13 0.25 1.93 0.03 0.02 0.00 0.00 176.35 178.45 1t60 h ARG 55 N 5.58 0.23 -5.84 1.70 3.08 -1.88 0.31 114.38 117.57 1t60 h ARG 55 Ca -0.48 -0.05 -0.55 0.00 0.07 0.00 0.00 59.98 58.97 1t60 h ARG 55 Cb 1.20 -0.03 -0.27 0.00 0.08 0.00 0.00 29.97 30.94 1t60 h ARG 55 CO 0.67 0.36 -0.83 0.15 -1.07 0.00 0.00 179.97 179.24 1t60 s LYS 56 N -4.77 1.37 0.06 0.04 1.02 -1.26 -4.72 119.74 111.48 1t60 s LYS 56 Ca -0.05 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1t60 s LYS 56 Cb 0.16 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 1t60 s LYS 56 CO 0.73 0.37 0.18 0.12 -0.92 0.00 0.00 175.35 175.83 1t60 s PHE 57 N -0.64 3.45 -0.23 3.18 5.36 -1.26 -4.90 117.98 122.95 1t60 s PHE 57 Ca 0.07 0.22 -0.27 0.00 -0.96 0.00 0.00 56.93 55.98 1t60 s PHE 57 Cb -0.08 -1.74 0.12 0.00 -0.34 0.00 0.00 43.02 40.98 1t60 s PHE 57 CO 0.01 0.58 0.99 0.45 -1.46 0.00 0.00 175.22 175.78 1t60 s SER 58 N -2.45 -0.45 0.32 6.13 0.15 -1.26 -5.01 113.70 111.13 1t60 s SER 58 Ca 0.33 0.73 0.26 0.00 0.70 0.00 0.00 55.95 57.97 1t60 s SER 58 Cb -0.13 0.69 1.07 0.00 -1.71 0.00 0.00 66.02 65.94 1t60 s SER 58 CO 0.26 -0.24 1.77 0.71 1.20 0.00 0.00 173.24 176.94 1t60 h THR 59 N 3.23 0.00 -2.30 6.45 1.35 -1.94 -3.30 112.91 116.40 1t60 h THR 59 Ca -0.25 -0.29 -0.57 0.00 -0.55 0.00 0.00 66.41 64.75 1t60 h THR 59 Cb 1.17 1.08 -0.37 0.00 -1.73 0.00 0.00 68.15 68.30 1t60 h THR 59 CO 0.19 0.00 -0.95 -0.32 -0.25 0.00 0.00 175.52 174.19 1t60 s MET 60 N -3.39 0.90 -0.00 4.72 -2.45 -1.26 -4.02 119.30 113.79 1t60 s MET 60 Ca 0.04 -2.02 0.01 0.00 -1.25 0.00 0.00 55.69 52.46 1t60 s MET 60 Cb 0.09 -1.33 0.03 0.00 1.25 0.00 0.00 34.83 34.87 1t60 s MET 60 CO 0.43 -1.38 0.97 -0.35 1.05 0.00 0.00 175.02 175.73 1t60 n PRO 61 N 2.90 1.08 -4.11 4.11 -0.04 -1.25 -4.87 135.00 132.81 1t60 n PRO 61 Ca 0.29 -0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1t60 n PRO 61 Cb 0.48 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.78 1t60 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 62 N -1.86 0.81 0.22 0.54 -0.71 -1.26 -5.09 117.98 110.63 1t60 s PHE 62 Ca 0.02 -1.10 -0.01 0.00 -1.04 0.00 0.00 56.93 54.80 1t60 s PHE 62 Cb 0.01 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1t60 s PHE 62 CO 0.01 -0.79 0.17 -0.48 -1.34 0.00 0.00 175.22 172.79 1t60 s LEU 63 N -3.10 1.16 0.13 -1.99 0.05 -1.26 -4.54 118.68 109.12 1t60 s LEU 63 Ca 0.32 -1.40 0.06 0.00 0.05 0.00 0.00 54.13 53.16 1t60 s LEU 63 Cb 0.04 0.49 -0.04 0.00 -2.05 0.00 0.00 46.19 44.63 1t60 s LEU 63 CO 0.10 -0.88 -0.14 0.72 -0.55 0.00 0.00 176.35 175.60 1t60 s PHE 64 N -4.07 1.46 0.05 3.48 -0.12 -0.93 -4.98 117.98 112.86 1t60 s PHE 64 Ca 0.38 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.76 1t60 s PHE 64 Cb 0.06 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.67 1t60 s PHE 64 CO 0.13 0.17 -0.15 0.00 -0.05 0.00 0.00 175.22 175.32 1t60 s ASN 66 N -1.27 4.67 0.03 0.00 2.20 -0.27 -4.98 114.94 115.32 1t60 s ASN 66 Ca 0.02 -1.14 0.12 0.00 -0.94 0.00 0.00 52.86 50.91 1t60 s ASN 66 Cb -0.08 0.14 0.50 0.00 -2.00 0.00 0.00 41.25 39.80 1t60 s ASN 66 CO 0.02 -0.96 1.37 2.30 -2.94 0.00 0.00 177.10 176.89 1t60 n ILE 67 N -1.66 1.25 0.35 0.54 -5.35 -1.26 -1.52 119.36 111.70 1t60 n ILE 67 Ca -0.01 0.33 0.07 0.00 -0.27 0.00 0.00 62.75 62.87 1t60 n ILE 67 Cb 0.64 -1.17 0.22 0.00 -1.74 0.00 0.00 39.64 37.59 1t60 n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1t60 n ASN 68 N -1.58 2.84 -2.81 7.28 3.02 -1.26 -4.92 115.26 117.83 1t60 n ASN 68 Ca 0.02 -2.11 -0.19 0.00 -0.03 0.00 0.00 54.58 52.27 1t60 n ASN 68 Cb 0.13 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 38.97 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1t60 n ASN 69 N 0.82 -5.55 -4.09 6.41 3.02 -0.58 -5.02 115.26 110.28 1t60 n ASN 69 Ca 0.16 -0.34 -0.25 0.00 -0.03 0.00 0.00 54.58 54.13 1t60 n ASN 69 Cb 0.49 -4.29 -0.16 0.00 -0.61 0.00 0.00 39.78 35.21 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t60 s VAL 70 N -3.16 1.29 0.14 2.41 1.01 -1.25 -4.97 120.40 115.87 1t60 s VAL 70 Ca 0.36 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1t60 s VAL 70 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1t60 s VAL 70 CO 0.45 0.38 -0.06 0.00 0.00 0.00 0.00 175.10 175.87 1t60 s ASN 72 N -2.59 2.44 -0.17 0.00 0.01 0.42 -4.98 114.94 110.07 1t60 s ASN 72 Ca 0.24 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1t60 s ASN 72 Cb -0.10 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.63 1t60 s ASN 72 CO 0.16 0.13 -0.16 0.12 -1.51 0.00 0.00 177.10 175.84 1t60 s PHE 73 N 0.28 2.79 -0.83 2.20 5.36 -1.26 -2.19 117.98 124.33 1t60 s PHE 73 Ca -0.11 -1.23 -0.00 0.00 -0.96 0.00 0.00 56.93 54.63 1t60 s PHE 73 Cb -0.15 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 1t60 s PHE 73 CO 0.05 -0.59 0.00 0.00 -1.46 0.00 0.00 175.22 173.22 1t60 n ALA 74 N 4.31 -0.83 0.05 11.12 0.00 -1.26 -4.82 120.51 129.08 1t60 n ALA 74 Ca -0.20 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1t60 n ALA 74 Cb 0.51 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1t60 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 75 N -1.74 0.17 0.00 0.00 7.64 -1.26 -4.69 113.62 113.74 1t60 n SER 75 Ca -0.11 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1t60 n SER 75 Cb 0.59 1.71 0.00 0.00 -1.01 0.00 0.00 64.21 65.49 1t60 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 76 N -2.29 0.97 -3.05 1.43 0.63 -1.26 -5.06 116.66 108.03 1t60 n ARG 76 Ca -0.03 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.69 1t60 n ARG 76 Cb 0.56 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.44 1t60 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 77 N 0.00 2.43 -4.99 6.15 3.02 -1.26 -4.82 115.26 115.79 1t60 n ASN 77 Ca 0.00 -3.29 -0.19 0.00 -0.03 0.00 0.00 54.58 51.07 1t60 n ASN 77 Cb 0.00 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1t60 s ASP 78 N -2.91 5.89 0.24 6.41 -0.00 -1.26 -4.87 116.67 120.17 1t60 s ASP 78 Ca 0.43 -0.24 0.04 0.00 -0.00 0.00 0.00 52.55 52.78 1t60 s ASP 78 Cb 0.33 -1.12 -0.05 0.00 -0.00 0.00 0.00 42.92 42.07 1t60 s ASP 78 CO -0.10 -0.48 -0.01 -0.31 -0.00 0.00 0.00 175.17 174.26 1t60 s TYR 79 N -2.21 1.65 -0.01 4.23 1.51 -0.47 -1.97 117.35 120.07 1t60 s TYR 79 Ca 0.47 -0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1t60 s TYR 79 Cb -0.09 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 1t60 s TYR 79 CO 0.31 0.02 0.04 -1.54 -1.11 0.00 0.00 175.55 173.27 1t60 s SER 80 N -3.34 -0.03 -0.06 2.29 1.04 -0.88 -1.55 113.70 111.17 1t60 s SER 80 Ca 0.29 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.81 1t60 s SER 80 Cb 0.05 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1t60 s SER 80 CO 0.09 -0.03 -0.18 -0.31 0.98 0.00 0.00 173.24 173.79 1t60 s TYR 81 N -0.06 1.87 0.05 5.02 2.02 0.82 -1.26 117.35 125.81 1t60 s TYR 81 Ca -0.01 -0.62 0.05 0.00 -0.37 0.00 0.00 57.07 56.12 1t60 s TYR 81 Cb -0.01 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1t60 s TYR 81 CO 0.00 -0.24 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.01 1t60 s TRP 82 N 0.23 1.32 0.51 2.71 0.52 -1.07 -0.59 118.94 122.58 1t60 s TRP 82 Ca -0.09 -0.38 -0.22 0.00 0.02 0.00 0.00 56.10 55.43 1t60 s TRP 82 Cb -0.14 -0.77 -0.06 0.00 -1.15 0.00 0.00 33.47 31.35 1t60 s TRP 82 CO 0.04 0.06 1.33 -0.51 0.02 0.00 0.00 176.95 177.88 1t60 s LEU 83 N -1.30 3.92 0.50 2.99 1.43 -0.63 -1.04 118.68 124.55 1t60 s LEU 83 Ca 0.02 2.70 0.05 0.00 -1.03 0.00 0.00 54.13 55.86 1t60 s LEU 83 Cb -0.08 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 41.92 1t60 s LEU 83 CO 0.02 -1.38 0.22 -0.94 0.23 0.00 0.00 176.35 174.49 1t60 s SER 84 N -0.97 4.43 0.35 2.29 1.04 0.16 -1.24 113.70 119.75 1t60 s SER 84 Ca 0.68 -1.32 0.05 0.00 0.48 0.00 0.00 55.95 55.85 1t60 s SER 84 Cb -0.39 0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.97 1t60 s SER 84 CO 0.46 -0.87 0.42 0.35 0.98 0.00 0.00 173.24 174.58 1t60 n THR 85 N -1.47 0.00 1.32 2.02 -2.24 -0.57 -4.51 114.28 108.83 1t60 n THR 85 Ca -0.07 -1.23 0.13 0.00 -2.27 0.00 0.00 64.05 60.62 1t60 n THR 85 Cb 0.65 -0.56 0.68 0.00 -2.10 0.00 0.00 70.33 69.00 1t60 n THR 85 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1t60 n PRO 86 N -1.63 0.47 -1.68 -0.78 -0.02 -1.26 -4.88 135.00 125.22 1t60 n PRO 86 Ca 0.07 0.03 -0.56 0.00 -2.02 0.00 0.00 63.50 61.02 1t60 n PRO 86 Cb 0.37 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 1t60 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t60 n GLU 87 N -1.22 1.15 -2.27 -0.52 4.07 -1.26 -4.91 120.64 115.67 1t60 n GLU 87 Ca 0.14 0.42 -0.40 0.00 -0.06 0.00 0.00 57.16 57.26 1t60 n GLU 87 Cb 0.18 -2.09 -0.03 0.00 -0.06 0.00 0.00 31.44 29.44 1t60 n GLU 87 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1t60 s PRO 88 N 2.74 4.38 0.43 5.31 0.02 -1.26 -4.99 135.00 141.63 1t60 s PRO 88 Ca 0.95 2.00 -0.21 0.00 0.02 0.00 0.00 61.00 63.75 1t60 s PRO 88 Cb -1.04 -3.02 -0.11 0.00 0.02 0.00 0.00 34.50 30.35 1t60 s PRO 88 CO 0.61 -0.09 0.96 0.00 -0.33 0.00 0.00 177.00 178.16 1t60 s MET 89 N -1.79 4.19 1.00 5.54 0.23 -1.26 -5.00 119.30 122.20 1t60 s MET 89 Ca 0.49 1.17 -0.17 0.00 -1.03 0.00 0.00 55.69 56.15 1t60 s MET 89 Cb -0.35 -2.21 -0.08 0.00 -1.53 0.00 0.00 34.83 30.66 1t60 s MET 89 CO 0.46 -0.07 -0.46 -2.30 -2.03 0.00 0.00 175.02 170.62 1t60 n PRO 90 N -0.60 -0.24 -0.08 3.16 -0.02 -1.26 -4.85 135.00 131.10 1t60 n PRO 90 Ca 0.07 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 1t60 n PRO 90 Cb 0.53 -1.33 -0.02 0.00 -0.02 0.00 0.00 33.50 32.67 1t60 n PRO 90 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t60 h MET 91 N -1.27 0.39 -0.39 -0.52 1.85 -1.98 -2.75 114.93 110.27 1t60 h MET 91 Ca -0.44 -0.03 0.07 0.00 -0.61 0.00 0.00 59.70 58.69 1t60 h MET 91 Cb 1.31 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.24 1t60 h MET 91 CO 0.28 0.27 0.26 0.66 -0.40 0.00 0.00 176.91 177.98 1t60 h SER 92 N 0.40 0.20 -0.53 1.39 4.64 -2.04 -3.45 113.55 114.15 1t60 h SER 92 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 1t60 h SER 92 Cb -0.03 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 1t60 h SER 92 CO -0.02 0.13 -0.17 0.23 -0.87 0.00 0.00 176.83 176.13 1t60 n MET 93 N -4.47 -0.61 -3.13 4.77 0.00 -1.04 -5.01 117.12 107.63 1t60 n MET 93 Ca 0.05 0.75 -0.27 0.00 0.00 0.00 0.00 57.70 58.23 1t60 n MET 93 Cb 0.30 -4.63 -0.02 0.00 0.00 0.00 0.00 33.22 28.87 1t60 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t60 s ALA 94 N -2.34 3.57 0.46 3.04 0.00 -1.26 -4.97 121.76 120.26 1t60 s ALA 94 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1t60 s ALA 94 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.68 1t60 s ALA 94 CO 0.00 -0.01 0.87 -2.30 0.00 0.00 0.00 175.76 174.32 1t60 n PRO 95 N -1.57 1.05 -3.86 0.00 -0.02 -1.26 -4.85 135.00 124.48 1t60 n PRO 95 Ca -0.02 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.50 1t60 n PRO 95 Cb 0.55 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1t60 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t60 s ILE 96 N -1.39 5.43 0.15 4.25 -1.09 0.67 -4.88 121.20 124.33 1t60 s ILE 96 Ca 0.66 0.03 -0.02 0.00 -2.23 0.00 0.00 60.65 59.09 1t60 s ILE 96 Cb -0.53 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1t60 s ILE 96 CO 0.55 0.43 0.10 0.42 -1.23 0.00 0.00 174.94 175.21 1t60 s THR 97 N -1.22 0.08 0.00 2.92 -4.23 -1.26 -1.20 115.64 110.73 1t60 s THR 97 Ca 0.23 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1t60 s THR 97 Cb -0.13 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1t60 s THR 97 CO 0.14 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1t60 n GLY 98 N -0.14 1.29 0.45 3.99 0.00 -1.26 -2.29 105.19 107.24 1t60 n GLY 98 Ca -0.04 -0.51 0.27 0.00 0.00 0.00 0.00 46.02 45.74 1t60 n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t60 h GLU 99 N 0.00 0.00 0.00 1.61 4.39 -1.99 -0.95 114.58 117.64 1t60 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t60 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t60 h GLU 99 CO 0.00 0.00 0.04 -0.91 -1.16 0.00 0.00 179.01 176.98 1t60 h ASN 100 N 0.00 0.00 0.42 1.42 2.35 -1.87 -1.66 115.58 116.24 1t60 h ASN 100 Ca 0.39 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.93 1t60 h ASN 100 Cb 1.63 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.00 1t60 h ASN 100 CO -0.00 0.00 -0.92 0.40 -1.65 0.00 0.00 177.43 175.26 1t60 h ILE 101 N 0.00 1.43 -0.96 2.81 2.04 -1.26 -3.37 117.51 118.21 1t60 h ILE 101 Ca 0.00 -2.51 0.19 0.00 1.00 0.00 0.00 64.86 63.54 1t60 h ILE 101 Cb 0.08 2.43 -0.18 0.00 -0.74 0.00 0.00 36.82 38.41 1t60 h ILE 101 CO 0.00 0.74 -0.25 -1.14 0.00 0.00 0.00 178.15 177.50 1t60 n ARG 102 N -3.71 -0.10 0.27 2.37 0.63 -0.63 -0.54 116.66 114.94 1t60 n ARG 102 Ca -0.06 1.50 0.17 0.00 -0.92 0.00 0.00 57.85 58.54 1t60 n ARG 102 Cb 0.82 -2.24 0.91 0.00 0.45 0.00 0.00 32.46 32.40 1t60 n ARG 102 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1t60 h PRO 103 N 0.00 0.00 0.00 -0.14 0.11 -1.79 -2.68 132.00 127.50 1t60 h PRO 103 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1t60 h PRO 103 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1t60 h PRO 103 CO -0.99 0.00 -0.82 1.19 -0.21 0.00 0.00 178.00 177.18 1t60 n PHE 104 N -2.70 0.14 -3.31 0.65 3.01 0.30 -4.58 117.46 110.96 1t60 n PHE 104 Ca -0.02 0.04 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 1t60 n PHE 104 Cb 0.10 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 1t60 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t60 s ILE 105 N -3.09 5.17 0.59 4.37 -1.09 -1.01 -1.51 121.20 124.62 1t60 s ILE 105 Ca 0.07 0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 59.23 1t60 s ILE 105 Cb 0.16 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1t60 s ILE 105 CO 0.77 0.27 1.10 -0.55 -1.23 0.00 0.00 174.94 175.30 1t60 s SER 106 N 0.86 5.55 0.25 3.58 0.15 -0.38 -4.41 113.70 119.31 1t60 s SER 106 Ca 0.24 2.03 0.07 0.00 0.70 0.00 0.00 55.95 59.00 1t60 s SER 106 Cb -0.15 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1t60 s SER 106 CO 0.09 -1.33 0.15 -0.13 1.20 0.00 0.00 173.24 173.23 1t60 s ARG 107 N -3.71 2.80 0.19 5.44 1.81 -0.86 -1.35 118.95 123.29 1t60 s ARG 107 Ca 0.69 -1.12 -0.03 0.00 -1.72 0.00 0.00 55.73 53.55 1t60 s ARG 107 Cb -0.21 -2.49 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1t60 s ARG 107 CO 0.33 0.40 0.18 0.00 -0.68 0.00 0.00 175.30 175.53 1t60 s ALA 109 N -4.11 0.08 -0.23 0.00 0.00 -0.13 -1.48 121.76 115.89 1t60 s ALA 109 Ca 0.33 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 1t60 s ALA 109 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1t60 s ALA 109 CO 0.09 -0.05 0.03 0.08 0.00 0.00 0.00 175.76 175.91 1t60 s VAL 110 N 0.59 4.09 0.12 0.00 1.01 -0.49 -1.33 120.40 124.39 1t60 s VAL 110 Ca -0.05 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1t60 s VAL 110 Cb -0.07 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1t60 s VAL 110 CO -0.02 0.38 -0.21 0.00 0.00 0.00 0.00 175.10 175.26 1t60 s GLU 112 N -2.16 4.11 0.04 0.00 2.12 0.97 -0.48 118.70 123.30 1t60 s GLU 112 Ca 0.10 0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.60 1t60 s GLU 112 Cb -0.09 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1t60 s GLU 112 CO 0.05 -0.15 0.04 0.00 -0.54 0.00 0.00 175.26 174.66 1t60 s ALA 113 N 1.67 3.44 -0.38 6.30 0.00 0.11 -1.68 121.76 131.22 1t60 s ALA 113 Ca 0.18 -0.98 0.26 0.00 0.00 0.00 0.00 51.96 51.42 1t60 s ALA 113 Cb -0.15 -1.40 0.78 0.00 0.00 0.00 0.00 23.12 22.35 1t60 s ALA 113 CO 0.09 0.70 1.75 -1.00 0.00 0.00 0.00 175.76 177.30 1t60 h PRO 114 N 3.83 0.00 -4.59 0.00 0.13 -1.87 -3.21 132.00 126.29 1t60 h PRO 114 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 1t60 h PRO 114 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1t60 h PRO 114 CO 0.61 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 177.87 1t60 s ALA 115 N -3.31 1.26 0.60 -0.56 0.00 -1.26 -4.94 121.76 113.55 1t60 s ALA 115 Ca 0.06 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.09 1t60 s ALA 115 Cb 0.08 1.38 -0.03 0.00 0.00 0.00 0.00 23.12 24.55 1t60 s ALA 115 CO 0.59 -0.65 1.21 1.41 0.00 0.00 0.00 175.76 178.32 1t60 s MET 116 N -3.84 2.93 0.02 0.00 1.75 -1.26 -4.79 119.30 114.10 1t60 s MET 116 Ca 0.38 1.82 0.05 0.00 -1.25 0.00 0.00 55.69 56.69 1t60 s MET 116 Cb 0.04 -1.92 -0.02 0.00 2.84 0.00 0.00 34.83 35.77 1t60 s MET 116 CO 0.17 -1.24 -0.15 0.08 -0.65 0.00 0.00 175.02 173.23 1t60 s VAL 117 N -1.62 1.20 0.24 10.11 1.01 -1.26 -1.77 120.40 128.31 1t60 s VAL 117 Ca 0.77 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1t60 s VAL 117 Cb -0.30 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1t60 s VAL 117 CO 0.34 0.18 0.29 0.00 0.00 0.00 0.00 175.10 175.90 1t60 s MET 118 N -0.79 1.42 0.04 2.72 0.23 0.19 -4.84 119.30 118.28 1t60 s MET 118 Ca 0.04 -1.56 0.09 0.00 -1.03 0.00 0.00 55.69 53.23 1t60 s MET 118 Cb -0.07 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 1t60 s MET 118 CO 0.01 -0.53 -0.25 0.00 -2.03 0.00 0.00 175.02 172.22 1t60 s ALA 119 N -3.95 2.11 0.04 3.16 0.00 -0.60 -0.42 121.76 122.10 1t60 s ALA 119 Ca 0.33 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1t60 s ALA 119 Cb 0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1t60 s ALA 119 CO 0.13 0.49 -0.17 0.14 0.00 0.00 0.00 175.76 176.35 1t60 s VAL 120 N -0.80 1.36 -0.02 0.00 -7.23 -0.56 -4.56 120.40 108.60 1t60 s VAL 120 Ca 0.11 -1.06 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1t60 s VAL 120 Cb -0.10 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 1t60 s VAL 120 CO 0.02 0.12 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.69 1t60 s HIS 121 N -0.79 2.17 -0.08 2.82 3.76 -1.26 -1.60 115.29 120.30 1t60 s HIS 121 Ca 0.05 -0.42 0.15 0.00 -0.15 0.00 0.00 55.06 54.68 1t60 s HIS 121 Cb -0.08 -1.40 -0.21 0.00 1.11 0.00 0.00 32.58 32.00 1t60 s HIS 121 CO 0.01 -0.05 0.61 -1.13 -0.85 0.00 0.00 174.74 173.34 1t60 n SER 122 N 2.51 0.72 -2.05 1.40 3.41 -0.55 -4.94 113.62 114.13 1t60 n SER 122 Ca -0.16 0.34 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 1t60 n SER 122 Cb 0.52 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 1t60 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 123 N -2.95 -1.61 -4.05 4.33 6.02 -1.26 -4.93 117.38 112.94 1t60 n GLN 123 Ca -0.17 0.85 -0.11 0.00 -0.01 0.00 0.00 57.00 57.55 1t60 n GLN 123 Cb 1.01 -5.33 -0.05 0.00 1.02 0.00 0.00 30.24 26.88 1t60 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 124 N -2.89 0.00 -1.73 5.09 -4.23 -1.26 -0.25 115.64 110.37 1t60 s THR 124 Ca 0.02 -1.53 0.27 0.00 -1.18 0.00 0.00 61.69 59.27 1t60 s THR 124 Cb -0.01 -2.39 0.62 0.00 1.34 0.00 0.00 72.50 72.06 1t60 s THR 124 CO 0.02 0.00 1.93 2.30 -0.54 0.00 0.00 174.62 178.33 1t60 n ILE 125 N -0.43 0.08 -3.16 2.99 -5.35 -1.26 -2.28 119.36 109.95 1t60 n ILE 125 Ca -0.01 0.02 -0.34 0.00 -0.27 0.00 0.00 62.75 62.16 1t60 n ILE 125 Cb 0.62 -0.59 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 1t60 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1t60 s GLN 126 N -2.27 4.06 0.10 6.28 -1.52 -1.26 -4.83 119.66 120.22 1t60 s GLN 126 Ca 0.33 0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 54.13 1t60 s GLN 126 Cb 0.18 -2.61 -0.06 0.00 -0.22 0.00 0.00 33.01 30.30 1t60 s GLN 126 CO 0.35 0.26 1.13 0.42 -0.25 0.00 0.00 175.29 177.20 1t60 s ILE 127 N -1.80 4.09 0.24 1.08 -1.09 -1.26 -4.39 121.20 118.07 1t60 s ILE 127 Ca 0.49 1.61 -0.30 0.00 -2.23 0.00 0.00 60.65 60.22 1t60 s ILE 127 Cb -0.12 -4.03 -0.09 0.00 -1.58 0.00 0.00 42.46 36.64 1t60 s ILE 127 CO 0.19 0.19 0.99 -2.16 -1.23 0.00 0.00 174.94 172.92 1t60 s PRO 128 N 0.47 4.78 0.28 2.79 0.04 -1.26 -5.00 135.00 137.10 1t60 s PRO 128 Ca 0.54 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1t60 s PRO 128 Cb -0.28 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 1t60 s PRO 128 CO 0.31 0.40 1.07 -0.65 0.04 0.00 0.00 177.00 178.18 1t60 s GLN 129 N -1.18 4.67 0.70 4.56 -0.21 -1.26 -4.60 119.66 122.34 1t60 s GLN 129 Ca 0.43 1.75 -0.16 0.00 0.02 0.00 0.00 55.36 57.40 1t60 s GLN 129 Cb -0.28 -3.19 0.02 0.00 1.00 0.00 0.00 33.01 30.56 1t60 s GLN 129 CO 0.35 0.25 1.19 0.00 -2.12 0.00 0.00 175.29 174.96 1t60 s PRO 131 N -3.86 2.71 0.07 0.00 0.02 -1.26 -4.87 135.00 127.82 1t60 s PRO 131 Ca 0.73 1.56 -0.33 0.00 0.02 0.00 0.00 61.00 62.99 1t60 s PRO 131 Cb -0.28 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.20 1t60 s PRO 131 CO 0.43 -1.35 1.77 2.41 -0.33 0.00 0.00 177.00 179.92 1t60 n THR 132 N -2.27 0.31 0.00 0.99 -1.04 -1.26 -0.96 114.28 110.05 1t60 n THR 132 Ca 0.12 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1t60 n THR 132 Cb 0.51 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1t60 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t60 n GLY 133 N 4.01 0.44 3.47 3.41 0.00 -1.26 -5.08 105.19 110.18 1t60 n GLY 133 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1t60 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 134 N -2.00 2.63 -0.05 1.61 0.52 -0.13 -3.23 118.94 118.29 1t60 s TRP 134 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 56.10 55.89 1t60 s TRP 134 Cb 0.00 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 1t60 s TRP 134 CO 0.00 0.23 0.08 -1.12 0.02 0.00 0.00 176.95 176.15 1t60 s SER 135 N -1.17 5.72 0.14 2.95 0.01 0.26 -4.70 113.70 116.92 1t60 s SER 135 Ca 0.14 0.21 -0.30 0.00 1.31 0.00 0.00 55.95 57.31 1t60 s SER 135 Cb -0.11 -1.69 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 1t60 s SER 135 CO 0.04 0.33 1.24 -0.55 0.41 0.00 0.00 173.24 174.70 1t60 s SER 136 N -1.39 7.03 -0.19 2.44 0.15 -1.26 0.21 113.70 120.69 1t60 s SER 136 Ca 0.19 2.21 0.03 0.00 0.70 0.00 0.00 55.95 59.08 1t60 s SER 136 Cb -0.12 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.46 1t60 s SER 136 CO 0.09 -0.45 -0.14 0.18 1.20 0.00 0.00 173.24 174.12 1t60 n LEU 137 N 3.09 2.57 -3.60 3.45 4.77 0.14 -4.90 117.00 122.52 1t60 n LEU 137 Ca 0.07 -0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1t60 n LEU 137 Cb 0.45 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1t60 n LEU 137 CO 0.56 0.76 1.01 -1.66 -1.33 0.00 0.00 177.39 176.74 1t60 s TRP 138 N -2.38 -0.11 0.33 -1.77 -2.14 -1.14 -4.88 118.94 106.85 1t60 s TRP 138 Ca -0.23 0.04 0.10 0.00 2.66 0.00 0.00 56.10 58.66 1t60 s TRP 138 Cb 0.06 0.53 -0.06 0.00 -3.10 0.00 0.00 33.47 30.90 1t60 s TRP 138 CO 0.47 -0.25 -0.07 0.96 -2.66 0.00 0.00 176.95 175.40 1t60 s ILE 139 N -2.46 2.44 0.00 0.66 -4.36 -1.26 -0.02 121.20 116.20 1t60 s ILE 139 Ca 0.11 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1t60 s ILE 139 Cb 0.01 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 41.06 1t60 s ILE 139 CO -0.04 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.51 1t60 n GLY 140 N -0.82 1.14 3.38 6.27 0.00 -0.64 -4.44 105.19 110.08 1t60 n GLY 140 Ca -0.05 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1t60 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 141 N -1.21 2.53 -0.61 1.61 1.51 0.20 -1.79 117.35 119.60 1t60 s TYR 141 Ca 0.00 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1t60 s TYR 141 Cb 0.00 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1t60 s TYR 141 CO 0.00 0.02 2.14 -1.12 -1.11 0.00 0.00 175.55 175.48 1t60 s SER 142 N -0.54 4.79 -0.32 2.29 0.01 -0.56 -2.01 113.70 117.36 1t60 s SER 142 Ca 0.07 0.51 -0.13 0.00 1.31 0.00 0.00 55.95 57.71 1t60 s SER 142 Cb -0.11 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 142 CO 0.01 -2.76 0.28 0.12 0.41 0.00 0.00 173.24 171.30 1t60 s PHE 143 N 10.97 3.22 -0.24 2.43 5.36 -0.12 -1.71 117.98 137.89 1t60 s PHE 143 Ca 0.82 -0.03 -0.15 0.00 -0.96 0.00 0.00 56.93 56.61 1t60 s PHE 143 Cb -0.14 -2.52 -0.10 0.00 -0.34 0.00 0.00 43.02 39.92 1t60 s PHE 143 CO 0.20 -0.33 -0.35 0.28 -1.46 0.00 0.00 175.22 173.56 1t60 n VAL 144 N 5.14 1.48 -3.58 3.12 0.31 -0.42 -4.40 118.33 119.98 1t60 n VAL 144 Ca -0.11 -0.21 -0.06 0.00 -0.01 0.00 0.00 64.34 63.94 1t60 n VAL 144 Cb 0.50 -2.01 0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1t60 n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1t60 n MET 145 N -4.28 0.77 -3.56 5.55 0.00 -1.14 -0.60 117.12 113.87 1t60 n MET 145 Ca -0.41 -1.58 -0.09 0.00 0.00 0.00 0.00 57.70 55.62 1t60 n MET 145 Cb 0.76 1.94 -0.02 0.00 0.00 0.00 0.00 33.22 35.90 1t60 n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 146 N -4.18 -0.38 -0.01 3.17 -3.43 -0.72 -0.58 115.29 109.16 1t60 s HIS 146 Ca 0.12 0.13 -0.09 0.00 -0.80 0.00 0.00 55.06 54.41 1t60 s HIS 146 Cb -0.03 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.72 1t60 s HIS 146 CO 0.09 -0.85 0.19 0.95 -2.00 0.00 0.00 174.74 173.12 1t60 s THR 147 N -3.58 0.07 0.00 -5.38 -4.23 -0.81 -2.90 115.64 98.80 1t60 s THR 147 Ca 0.05 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1t60 s THR 147 Cb -0.02 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1t60 s THR 147 CO -0.07 -0.31 0.00 -0.24 -0.54 0.00 0.00 174.62 173.46 1t60 n SER 148 N 1.55 0.00 -4.66 3.99 2.88 -0.00 -0.82 113.62 116.57 1t60 n SER 148 Ca -0.21 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.87 1t60 n SER 148 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 0.84 -1.44 -1.46 0.00 -1.26 -1.48 120.51 112.71 1t60 n ALA 149 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1t60 n ALA 149 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 1t60 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 150 N 2.51 1.47 2.65 0.00 0.00 -1.26 -1.81 105.19 108.75 1t60 n GLY 150 Ca 0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1t60 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 n ALA 151 N 1.28 -0.14 -2.09 4.61 0.00 -0.55 -4.98 120.51 118.65 1t60 n ALA 151 Ca -0.15 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1t60 n ALA 151 Cb 0.60 -1.53 0.03 0.00 0.00 0.00 0.00 19.45 18.55 1t60 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t60 s GLU 152 N -2.60 3.03 0.00 0.00 0.41 -0.75 -4.71 118.70 114.08 1t60 s GLU 152 Ca 0.00 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 1t60 s GLU 152 Cb 0.00 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 1t60 s GLU 152 CO 0.00 -0.64 0.00 0.41 -0.49 0.00 0.00 175.26 174.54 1t60 n GLY 153 N -2.56 -0.81 0.26 -1.39 0.00 -1.26 -0.82 105.19 98.61 1t60 n GLY 153 Ca 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 1t60 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 154 N 0.52 -0.13 -2.48 1.61 3.41 -1.14 -4.73 113.62 110.66 1t60 n SER 154 Ca 0.00 -1.13 -0.10 0.00 -0.26 0.00 0.00 58.87 57.38 1t60 n SER 154 Cb 0.00 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1t60 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t60 n GLY 155 N -0.04 2.02 3.65 5.00 0.00 -1.26 -1.75 105.19 112.80 1t60 n GLY 155 Ca -0.00 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 1t60 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t60 s GLN 156 N -2.46 2.36 -0.11 1.61 -1.52 0.23 -4.79 119.66 114.98 1t60 s GLN 156 Ca 0.19 -1.16 -0.27 0.00 -1.95 0.00 0.00 55.36 52.17 1t60 s GLN 156 Cb -0.02 -2.31 -0.02 0.00 -0.22 0.00 0.00 33.01 30.44 1t60 s GLN 156 CO 0.14 0.44 0.89 0.00 -0.25 0.00 0.00 175.29 176.51 1t60 s ALA 157 N -1.80 3.41 -0.37 6.09 0.00 -1.26 -4.92 121.76 122.91 1t60 s ALA 157 Ca 0.28 0.23 0.20 0.00 0.00 0.00 0.00 51.96 52.66 1t60 s ALA 157 Cb -0.09 -3.28 0.99 0.00 0.00 0.00 0.00 23.12 20.75 1t60 s ALA 157 CO 0.18 -0.51 1.60 1.28 0.00 0.00 0.00 175.76 178.31 1t60 n LEU 158 N 4.81 0.52 -0.53 0.00 4.77 -1.26 -0.85 117.00 124.46 1t60 n LEU 158 Ca 0.05 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 1t60 n LEU 158 Cb 0.49 -0.72 0.24 0.00 -2.33 0.00 0.00 43.42 41.10 1t60 n LEU 158 CO 0.50 -0.79 0.60 0.00 -1.33 0.00 0.00 177.39 176.37 1t60 n ALA 159 N -1.74 2.96 -2.64 -1.18 0.00 -1.26 -4.60 120.51 112.05 1t60 n ALA 159 Ca -0.00 -0.54 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 1t60 n ALA 159 Cb 0.09 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1t60 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t60 s SER 160 N -2.27 6.60 0.60 0.00 0.15 -0.02 -1.57 113.70 117.19 1t60 s SER 160 Ca 0.27 0.72 0.38 0.00 0.70 0.00 0.00 55.95 58.01 1t60 s SER 160 Cb 0.19 -2.15 2.07 0.00 -1.71 0.00 0.00 66.02 64.42 1t60 s SER 160 CO 0.44 0.23 2.16 -0.65 1.20 0.00 0.00 173.24 176.62 1t60 h PRO 161 N 3.96 0.00 0.00 5.44 0.11 -1.85 0.20 132.00 139.86 1t60 h PRO 161 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1t60 h PRO 161 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t60 h PRO 161 CO 0.65 0.00 -0.07 0.78 -0.21 0.00 0.00 178.00 179.16 1t60 h GLY 162 N 0.00 0.00 -0.89 -0.55 0.00 -1.85 -0.39 103.07 99.39 1t60 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -3.51 1.39 -3.71 0.19 3.41 0.06 -4.52 113.62 106.94 1t60 n SER 163 Ca -0.02 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.36 1t60 n SER 163 Cb 0.19 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1t60 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 165 N -0.11 4.49 0.41 0.00 1.43 -0.85 -4.72 118.68 119.33 1t60 s LEU 165 Ca 0.22 1.87 0.22 0.00 -1.03 0.00 0.00 54.13 55.41 1t60 s LEU 165 Cb -0.15 -3.59 0.68 0.00 0.03 0.00 0.00 46.19 43.16 1t60 s LEU 165 CO -0.07 -0.12 1.72 -0.33 0.23 0.00 0.00 176.35 177.79 1t60 h GLU 166 N 5.52 0.00 -4.45 1.70 5.08 -1.88 0.56 114.58 121.10 1t60 h GLU 166 Ca -0.43 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.34 1t60 h GLU 166 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 1t60 h GLU 166 CO 0.72 0.27 -0.81 -1.21 -1.00 0.00 0.00 179.01 176.98 1t60 s GLU 167 N -3.45 1.88 0.19 2.33 0.41 -1.26 -4.75 118.70 114.05 1t60 s GLU 167 Ca 0.02 -0.64 -0.30 0.00 -0.41 0.00 0.00 54.97 53.64 1t60 s GLU 167 Cb 0.09 -2.17 -0.08 0.00 -1.78 0.00 0.00 34.13 30.19 1t60 s GLU 167 CO 0.66 -0.37 1.21 0.12 -0.49 0.00 0.00 175.26 176.39 1t60 s PHE 168 N 1.51 3.40 -0.08 1.61 2.19 -1.26 -4.98 117.98 120.37 1t60 s PHE 168 Ca 0.01 1.40 -0.03 0.00 0.33 0.00 0.00 56.93 58.64 1t60 s PHE 168 Cb -0.15 -3.46 0.04 0.00 -1.31 0.00 0.00 43.02 38.15 1t60 s PHE 168 CO -0.09 -1.29 0.16 1.03 1.83 0.00 0.00 175.22 176.86 1t60 s ARG 169 N -0.28 0.09 0.47 10.12 1.81 -1.26 -5.02 118.95 124.88 1t60 s ARG 169 Ca 0.53 0.44 0.14 0.00 -1.72 0.00 0.00 55.73 55.12 1t60 s ARG 169 Cb -0.33 -0.19 1.07 0.00 -0.45 0.00 0.00 34.95 35.05 1t60 s ARG 169 CO 0.37 -0.20 2.04 0.77 -0.68 0.00 0.00 175.30 177.60 1t60 h SER 170 N 7.52 0.03 -2.72 0.23 0.02 -1.99 -3.21 113.55 113.42 1t60 h SER 170 Ca -0.36 -0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.98 1t60 h SER 170 Cb 1.14 -0.01 -0.41 0.00 0.14 0.00 0.00 62.40 63.26 1t60 h SER 170 CO 0.35 0.14 -0.73 0.00 -1.14 0.00 0.00 176.83 175.45 1t60 n ALA 171 N -2.51 3.24 0.88 3.77 0.00 -1.26 -4.31 120.51 120.33 1t60 n ALA 171 Ca -0.02 -4.03 0.10 0.00 0.00 0.00 0.00 53.44 49.49 1t60 n ALA 171 Cb 0.19 -0.92 0.50 0.00 0.00 0.00 0.00 19.45 19.22 1t60 n ALA 171 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t60 n PRO 172 N 2.13 0.18 -4.14 0.00 -0.04 -1.21 -4.86 135.00 127.05 1t60 n PRO 172 Ca 0.24 0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1t60 n PRO 172 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1t60 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 173 N -2.74 0.82 0.06 0.54 -0.71 -1.26 -0.66 117.98 114.02 1t60 s PHE 173 Ca 0.16 -1.18 0.09 0.00 -1.04 0.00 0.00 56.93 54.96 1t60 s PHE 173 Cb 0.14 -0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 41.44 1t60 s PHE 173 CO 0.34 -0.46 -0.24 -1.50 -1.34 0.00 0.00 175.22 172.03 1t60 s ILE 174 N -3.98 1.93 -0.16 -4.49 2.07 -0.21 -4.77 121.20 111.59 1t60 s ILE 174 Ca 0.20 -1.38 -0.14 0.00 -1.41 0.00 0.00 60.65 57.92 1t60 s ILE 174 Cb 0.07 -1.68 -0.05 0.00 0.13 0.00 0.00 42.46 40.94 1t60 s ILE 174 CO -0.01 0.22 0.29 -0.70 -1.91 0.00 0.00 174.94 172.83 1t60 s GLU 175 N -1.40 4.22 0.20 3.50 2.12 -0.64 -2.58 118.70 124.13 1t60 s GLU 175 Ca 0.10 0.09 0.09 0.00 0.36 0.00 0.00 54.97 55.61 1t60 s GLU 175 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1t60 s GLU 175 CO 0.03 0.27 -0.17 0.00 -0.54 0.00 0.00 175.26 174.84 1t60 s HIS 177 N -2.44 1.96 0.57 0.00 0.09 0.12 -2.07 115.29 113.53 1t60 s HIS 177 Ca 0.21 -0.47 0.26 0.00 -0.00 0.00 0.00 55.06 55.06 1t60 s HIS 177 Cb -0.04 -0.88 1.58 0.00 -0.00 0.00 0.00 32.58 33.23 1t60 s HIS 177 CO 0.08 0.51 2.11 0.78 -0.00 0.00 0.00 174.74 178.22 1t60 h GLY 178 N 2.43 0.00 1.79 -2.22 0.00 -1.57 0.10 103.07 103.59 1t60 h GLY 178 Ca -0.39 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1t60 h GLY 178 CO 0.61 0.00 0.08 3.21 0.00 0.00 0.00 176.54 180.45 1t60 h ARG 179 N 0.00 0.00 0.00 4.80 3.08 -1.86 -3.45 114.38 116.95 1t60 h ARG 179 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1t60 h ARG 179 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1t60 h ARG 179 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1t60 n GLY 180 N -1.39 0.75 3.90 0.04 0.00 0.02 -5.08 105.19 103.43 1t60 n GLY 180 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1t60 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 181 N -2.00 5.19 0.03 2.61 -4.23 -1.25 -4.06 115.64 111.93 1t60 s THR 181 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1t60 s THR 181 Cb 0.00 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 1t60 s THR 181 CO 0.00 0.07 -0.02 0.00 -0.54 0.00 0.00 174.62 174.13 1t60 s ASN 183 N -1.89 -0.06 -0.19 0.00 3.84 0.76 -0.24 114.94 117.17 1t60 s ASN 183 Ca -0.09 -0.25 -0.07 0.00 0.21 0.00 0.00 52.86 52.66 1t60 s ASN 183 Cb -0.05 0.25 -0.04 0.00 -0.55 0.00 0.00 41.25 40.86 1t60 s ASN 183 CO -0.04 -0.47 0.04 -0.31 -2.79 0.00 0.00 177.10 173.54 1t60 s TYR 184 N -2.45 3.18 0.09 0.43 1.51 -1.26 -1.62 117.35 117.22 1t60 s TYR 184 Ca 0.18 -0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.24 1t60 s TYR 184 Cb 0.02 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1t60 s TYR 184 CO -0.01 0.04 -0.15 0.71 -1.11 0.00 0.00 175.55 175.03 1t60 s TYR 185 N 0.54 2.62 0.58 2.71 1.51 -1.26 -5.03 117.35 119.02 1t60 s TYR 185 Ca 0.02 -0.22 0.28 0.00 -1.01 0.00 0.00 57.07 56.14 1t60 s TYR 185 Cb -0.13 -1.41 1.62 0.00 -0.11 0.00 0.00 41.96 41.93 1t60 s TYR 185 CO 0.01 0.37 2.10 0.00 -1.11 0.00 0.00 175.55 176.92 1t60 h ALA 186 N 3.93 1.86 -0.01 3.71 0.00 -2.03 -2.38 119.26 124.34 1t60 h ALA 186 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t60 h ALA 186 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t60 h ALA 186 CO 0.48 -0.29 -0.07 0.27 0.00 0.00 0.00 179.25 179.65 1t60 n ASN 187 N -3.89 0.73 -4.75 0.00 6.94 -1.26 -4.87 115.26 108.16 1t60 n ASN 187 Ca 0.02 -0.98 -0.41 0.00 -0.02 0.00 0.00 54.58 53.19 1t60 n ASN 187 Cb 0.32 -0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.69 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -2.23 3.46 0.00 -2.53 0.00 -0.90 -4.61 121.76 114.95 1t60 s ALA 188 Ca 0.35 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1t60 s ALA 188 Cb 0.21 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1t60 s ALA 188 CO 0.41 -0.41 -0.11 0.71 0.00 0.00 0.00 175.76 176.36 1t60 s TYR 189 N -0.46 1.01 -0.10 0.00 4.12 0.00 -5.00 117.35 116.93 1t60 s TYR 189 Ca 0.51 -0.22 0.02 0.00 0.02 0.00 0.00 57.07 57.40 1t60 s TYR 189 Cb -0.35 -0.64 -0.02 0.00 -1.52 0.00 0.00 41.96 39.44 1t60 s TYR 189 CO 0.41 -0.01 -0.16 -1.54 0.02 0.00 0.00 175.55 174.26 1t60 s SER 190 N -0.42 3.77 -0.10 2.29 1.04 -1.26 -1.93 113.70 117.09 1t60 s SER 190 Ca 0.03 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1t60 s SER 190 Cb -0.05 -1.29 -0.02 0.00 0.10 0.00 0.00 66.02 64.75 1t60 s SER 190 CO -0.00 0.22 -0.09 -0.36 0.98 0.00 0.00 173.24 173.98 1t60 s PHE 191 N 0.02 2.87 0.10 5.02 0.08 0.25 -4.99 117.98 121.33 1t60 s PHE 191 Ca -0.06 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 56.78 1t60 s PHE 191 Cb -0.15 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1t60 s PHE 191 CO 0.05 0.08 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.56 1t60 s TRP 192 N -0.25 1.11 0.35 0.36 0.52 -1.26 -1.30 118.94 118.46 1t60 s TRP 192 Ca 0.02 -0.61 -0.28 0.00 0.02 0.00 0.00 56.10 55.25 1t60 s TRP 192 Cb -0.13 -0.60 -0.10 0.00 -1.15 0.00 0.00 33.47 31.49 1t60 s TRP 192 CO 0.03 0.02 1.29 -0.51 0.02 0.00 0.00 176.95 177.80 1t60 s LEU 193 N -2.33 4.38 0.34 2.99 1.43 -0.69 -4.88 118.68 119.92 1t60 s LEU 193 Ca 0.04 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1t60 s LEU 193 Cb -0.04 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1t60 s LEU 193 CO 0.01 -0.58 0.54 0.00 0.23 0.00 0.00 176.35 176.55 1t60 s ALA 194 N -1.18 3.71 0.25 4.21 0.00 -1.26 -1.25 121.76 126.24 1t60 s ALA 194 Ca 0.50 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1t60 s ALA 194 Cb -0.39 -2.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1t60 s ALA 194 CO 0.51 -0.01 0.95 0.95 0.00 0.00 0.00 175.76 178.16 1t60 s THR 195 N -2.30 4.04 -0.00 0.00 -4.23 -0.06 -4.52 115.64 108.57 1t60 s THR 195 Ca 0.40 2.04 0.01 0.00 -1.18 0.00 0.00 61.69 62.96 1t60 s THR 195 Cb -0.10 -4.29 -0.00 0.00 1.34 0.00 0.00 72.50 69.45 1t60 s THR 195 CO 0.36 0.47 -0.03 -0.63 -0.54 0.00 0.00 174.62 174.25 1t60 s ILE 196 N -1.20 0.24 -0.23 2.99 1.01 0.66 -4.95 121.20 119.72 1t60 s ILE 196 Ca 0.42 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 1t60 s ILE 196 Cb -0.26 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1t60 s ILE 196 CO 0.32 0.07 0.39 -1.61 0.00 0.00 0.00 174.94 174.11 1t60 s GLU 197 N -0.03 4.10 0.38 2.79 2.02 -1.26 -4.71 118.70 122.00 1t60 s GLU 197 Ca 0.01 0.14 0.22 0.00 0.02 0.00 0.00 54.97 55.35 1t60 s GLU 197 Cb -0.02 -3.59 1.29 0.00 0.10 0.00 0.00 34.13 31.91 1t60 s GLU 197 CO -0.00 -0.16 1.62 -0.09 0.02 0.00 0.00 175.26 176.66 1t60 h ARG 198 N 7.74 0.13 0.00 1.61 2.43 -2.00 1.14 114.38 125.43 1t60 h ARG 198 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1t60 h ARG 198 Cb 1.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1t60 h ARG 198 CO 0.69 0.09 0.00 -1.13 -1.51 0.00 0.00 179.97 178.10 1t60 n SER 199 N -4.99 0.28 -0.30 -3.80 3.41 -1.26 -2.90 113.62 104.06 1t60 n SER 199 Ca 0.36 0.56 0.04 0.00 -0.26 0.00 0.00 58.87 59.57 1t60 n SER 199 Cb 1.24 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 1t60 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t60 n GLU 200 N -1.81 0.38 -0.30 4.33 1.02 0.39 -4.76 120.64 119.89 1t60 n GLU 200 Ca 0.03 -1.05 0.03 0.00 -0.02 0.00 0.00 57.16 56.16 1t60 n GLU 200 Cb 0.22 -1.14 0.11 0.00 -0.02 0.00 0.00 31.44 30.60 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1t60 h MET 201 N 1.37 -0.00 -1.02 3.49 2.86 -1.31 -0.40 114.93 119.92 1t60 h MET 201 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1t60 h MET 201 Cb 0.34 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 31.73 1t60 h MET 201 CO 0.00 -0.00 0.64 1.19 1.06 0.00 0.00 176.91 179.80 1t60 n PHE 202 N -5.55 2.83 -4.26 -0.22 3.01 -1.26 -4.93 117.46 107.08 1t60 n PHE 202 Ca 0.12 -1.98 -0.27 0.00 1.01 0.00 0.00 57.45 56.33 1t60 n PHE 202 Cb 0.43 -1.00 -0.09 0.00 -0.01 0.00 0.00 39.48 38.81 1t60 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t60 s LYS 203 N -3.10 2.19 -0.00 -1.08 1.02 -0.16 -5.06 119.74 113.54 1t60 s LYS 203 Ca 0.53 -1.21 -0.35 0.00 0.02 0.00 0.00 55.97 54.96 1t60 s LYS 203 Cb 0.44 -2.23 -0.14 0.00 -0.52 0.00 0.00 37.83 35.38 1t60 s LYS 203 CO 0.07 0.44 1.67 1.17 -0.92 0.00 0.00 175.35 177.79 1t60 n LYS 204 N -0.04 1.87 -1.78 1.68 4.81 -1.26 -4.87 118.16 118.57 1t60 n LYS 204 Ca -0.10 0.68 -0.40 0.00 -0.87 0.00 0.00 58.31 57.62 1t60 n LYS 204 Cb 0.55 -2.45 0.01 0.00 0.02 0.00 0.00 35.03 33.17 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1t60 s PRO 205 N 2.35 3.77 -0.36 1.64 0.02 -1.26 -4.95 135.00 136.22 1t60 s PRO 205 Ca 0.87 2.48 -0.20 0.00 0.02 0.00 0.00 61.00 64.17 1t60 s PRO 205 Cb -0.78 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1t60 s PRO 205 CO 0.48 -0.77 0.61 0.99 -0.33 0.00 0.00 177.00 177.98 1t60 s THR 206 N -1.18 4.91 0.45 0.99 2.01 -1.26 -5.03 115.64 116.52 1t60 s THR 206 Ca 0.59 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 1t60 s THR 206 Cb -0.45 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 67.90 1t60 s THR 206 CO 0.59 -0.33 1.25 -2.65 -0.69 0.00 0.00 174.62 172.79 1t60 n PRO 207 N 6.01 1.82 -3.74 4.92 -0.02 -1.26 -5.01 135.00 137.73 1t60 n PRO 207 Ca -0.02 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1t60 n PRO 207 Cb 0.49 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1t60 n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t60 s SER 208 N -0.63 -0.41 -0.21 2.55 0.15 -1.26 -5.12 113.70 108.78 1t60 s SER 208 Ca 0.63 0.77 0.01 0.00 0.70 0.00 0.00 55.95 58.06 1t60 s SER 208 Cb -0.49 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1t60 s SER 208 CO 0.56 -0.14 -0.14 -0.89 1.20 0.00 0.00 173.24 173.83 1t60 s THR 209 N 0.46 1.93 -0.11 6.45 2.01 -1.26 -5.12 115.64 120.01 1t60 s THR 209 Ca -0.02 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 1t60 s THR 209 Cb -0.04 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1t60 s THR 209 CO -0.02 0.26 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.36 1t60 s LEU 210 N 1.28 3.28 0.32 4.42 1.43 -1.26 -5.12 118.68 123.02 1t60 s LEU 210 Ca -0.01 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1t60 s LEU 210 Cb -0.16 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1t60 s LEU 210 CO -0.09 0.28 0.35 -0.54 0.23 0.00 0.00 176.35 176.58 1t60 s LYS 211 N -0.33 2.94 0.10 1.70 1.02 -1.26 -4.77 119.74 119.13 1t60 s LYS 211 Ca 0.05 -1.13 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 1t60 s LYS 211 Cb -0.12 -2.63 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 1t60 s LYS 211 CO 0.02 0.14 0.21 0.00 -0.92 0.00 0.00 175.35 174.81 1t60 n ALA 212 N -1.45 -1.88 -0.92 5.17 0.00 -1.26 -1.41 120.51 118.76 1t60 n ALA 212 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1t60 n ALA 212 Cb 0.59 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1t60 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 213 N 0.92 0.36 0.00 0.00 0.00 -1.26 -4.68 105.19 100.53 1t60 n GLY 213 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1t60 n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t60 n GLU 214 N -1.45 -0.08 0.37 1.61 2.13 -0.50 -4.91 120.64 117.80 1t60 n GLU 214 Ca 0.00 -0.14 -0.16 0.00 0.66 0.00 0.00 57.16 57.52 1t60 n GLU 214 Cb 0.15 -0.58 -0.08 0.00 0.27 0.00 0.00 31.44 31.21 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1t60 h LEU 215 N 0.00 -0.99 0.00 4.31 4.07 -1.83 -2.90 115.31 117.97 1t60 h LEU 215 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1t60 h LEU 215 Cb 0.48 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1t60 h LEU 215 CO 0.00 -0.62 0.00 0.54 -1.08 0.00 0.00 178.44 177.28 1t60 n ARG 216 N -4.91 0.13 0.25 1.13 1.74 -1.26 -2.71 116.66 111.03 1t60 n ARG 216 Ca -0.12 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.08 1t60 n ARG 216 Cb 0.41 -1.35 0.62 0.00 -1.02 0.00 0.00 32.46 31.12 1t60 n ARG 216 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t60 h THR 217 N 0.00 0.44 -0.10 0.55 1.03 -1.89 -2.93 112.91 110.02 1t60 h THR 217 Ca 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.62 1t60 h THR 217 Cb 0.00 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1t60 h THR 217 CO 0.00 0.14 0.00 1.41 -0.01 0.00 0.00 175.52 177.06 1t60 n HIS 218 N -3.40 0.13 -3.48 0.00 8.25 -1.10 -4.89 115.22 110.73 1t60 n HIS 218 Ca -0.01 -0.47 -0.37 0.00 -0.26 0.00 0.00 57.72 56.62 1t60 n HIS 218 Cb 0.33 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 1t60 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t60 s VAL 219 N -0.95 5.27 0.50 1.59 1.01 -1.11 -0.88 120.40 125.83 1t60 s VAL 219 Ca 0.07 0.64 -0.22 0.00 0.00 0.00 0.00 61.98 62.46 1t60 s VAL 219 Cb 0.04 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 1t60 s VAL 219 CO 0.05 0.36 1.27 -0.55 0.00 0.00 0.00 175.10 176.22 1t60 s SER 220 N 0.60 5.73 0.25 3.32 0.15 -0.38 -4.59 113.70 118.78 1t60 s SER 220 Ca 0.18 2.55 0.05 0.00 0.70 0.00 0.00 55.95 59.43 1t60 s SER 220 Cb -0.14 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.52 1t60 s SER 220 CO 0.06 -1.23 0.38 -0.13 1.20 0.00 0.00 173.24 173.51 1t60 s ARG 221 N -2.78 3.43 0.17 5.44 1.81 -0.97 -1.50 118.95 124.56 1t60 s ARG 221 Ca 0.67 -0.73 -0.07 0.00 -1.72 0.00 0.00 55.73 53.88 1t60 s ARG 221 Cb -0.35 -2.87 -0.02 0.00 -0.45 0.00 0.00 34.95 31.27 1t60 s ARG 221 CO 0.42 0.40 0.25 0.00 -0.68 0.00 0.00 175.30 175.68 1t60 s GLN 223 N -4.01 0.14 -0.24 0.00 0.74 -0.63 -1.62 119.66 114.05 1t60 s GLN 223 Ca 0.21 0.25 -0.12 0.00 0.05 0.00 0.00 55.36 55.75 1t60 s GLN 223 Cb 0.04 -0.00 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 1t60 s GLN 223 CO 0.03 -0.06 0.24 0.08 -0.55 0.00 0.00 175.29 175.02 1t60 s VAL 224 N 0.42 5.30 0.21 1.34 1.01 0.97 -1.50 120.40 128.15 1t60 s VAL 224 Ca -0.03 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.38 1t60 s VAL 224 Cb -0.04 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1t60 s VAL 224 CO -0.02 0.29 -0.17 0.00 0.00 0.00 0.00 175.10 175.21 1t60 s MET 226 N -3.35 1.52 -1.22 0.00 -2.45 0.13 -0.63 119.30 113.29 1t60 s MET 226 Ca 0.22 -0.59 -0.19 0.00 -1.25 0.00 0.00 55.69 53.87 1t60 s MET 226 Cb -0.03 -1.40 0.06 0.00 1.25 0.00 0.00 34.83 34.71 1t60 s MET 226 CO 0.08 0.31 1.66 0.50 1.05 0.00 0.00 175.02 178.62 1t60 s ARG 227 N -0.20 3.85 -0.08 4.11 3.00 -0.73 0.90 118.95 129.80 1t60 s ARG 227 Ca 0.02 -1.74 -0.31 0.00 -1.00 0.00 0.00 55.73 52.71 1t60 s ARG 227 Cb -0.09 -5.48 0.08 0.00 0.00 0.00 0.00 34.95 29.46 1t60 s ARG 227 CO 0.00 -2.28 0.75 0.50 0.00 0.00 0.00 175.30 174.28 1t60 s ARG 228 N 4.48 0.95 0.00 5.12 3.52 -1.20 -4.63 118.95 127.19 1t60 s ARG 228 Ca 0.52 0.25 0.23 0.00 -0.13 0.00 0.00 55.73 56.61 1t60 s ARG 228 Cb 0.03 0.45 1.40 0.00 -1.56 0.00 0.00 34.95 35.27 1t60 s ARG 228 CO 0.03 -0.29 1.77 2.41 -0.81 0.00 0.00 175.30 178.41