#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y60 h LYS 3 N 0.00 0.00 -3.48 0.00 1.63 -2.01 -3.42 116.57 109.30 1y60 h LYS 3 Ca 0.00 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 59.08 1y60 h LYS 3 Cb 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 31.29 1y60 h LYS 3 CO 0.00 0.42 -0.15 0.42 -3.45 0.00 0.00 179.45 176.69 1y60 s ILE 4 N -1.84 4.33 -1.91 2.00 1.01 -1.26 -4.89 121.20 118.64 1y60 s ILE 4 Ca -0.08 -3.36 0.22 0.00 0.00 0.00 0.00 60.65 57.43 1y60 s ILE 4 Cb -0.01 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1y60 s ILE 4 CO 0.29 -1.01 1.06 0.35 0.00 0.00 0.00 174.94 175.63 1y60 n THR 5 N 2.95 0.00 -4.18 2.92 -2.24 -1.26 -4.44 114.28 108.04 1y60 n THR 5 Ca 0.16 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1y60 n THR 5 Cb 0.38 1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 69.76 1y60 n THR 5 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1y60 s LYS 6 N -2.49 1.44 0.13 -0.78 -2.85 -1.26 -4.82 119.74 109.11 1y60 s LYS 6 Ca 0.17 -1.67 -0.31 0.00 -1.00 0.00 0.00 55.97 53.16 1y60 s LYS 6 Cb 0.18 0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 1y60 s LYS 6 CO 0.59 -0.52 1.34 0.08 0.10 0.00 0.00 175.35 176.93 1y60 s VAL 7 N -3.87 3.39 0.07 1.79 1.01 -1.26 -4.54 120.40 116.99 1y60 s VAL 7 Ca 0.36 1.04 0.06 0.00 0.00 0.00 0.00 61.98 63.44 1y60 s VAL 7 Cb 0.04 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1y60 s VAL 7 CO 0.16 0.10 -0.16 -1.10 0.00 0.00 0.00 175.10 174.10 1y60 s GLN 8 N 0.75 0.90 -0.09 2.72 -1.52 -0.06 -5.00 119.66 117.36 1y60 s GLN 8 Ca 0.61 -0.96 0.04 0.00 -1.95 0.00 0.00 55.36 53.10 1y60 s GLN 8 Cb -0.36 -0.96 -0.01 0.00 -0.22 0.00 0.00 33.01 31.46 1y60 s GLN 8 CO 0.32 0.22 -0.22 0.08 -0.25 0.00 0.00 175.29 175.44 1y60 s VAL 9 N -1.18 2.28 0.23 1.09 1.01 -1.26 -1.24 120.40 121.32 1y60 s VAL 9 Ca 0.00 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1y60 s VAL 9 Cb -0.10 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1y60 s VAL 9 CO 0.02 0.56 -0.16 -0.83 0.00 0.00 0.00 175.10 174.69 1y60 s GLY 10 N 0.16 1.58 -0.02 4.51 0.00 0.77 -4.33 107.32 109.99 1y60 s GLY 10 Ca -0.12 -1.73 -0.25 0.00 0.00 0.00 0.00 44.72 42.62 1y60 s GLY 10 CO 0.07 -1.82 0.56 1.85 0.00 0.00 0.00 173.10 173.76 1y60 s GLU 11 N -3.56 0.97 -0.26 2.90 -6.30 -1.26 -0.59 118.70 110.60 1y60 s GLU 11 Ca 0.25 0.04 -0.26 0.00 -2.50 0.00 0.00 54.97 52.49 1y60 s GLU 11 Cb -0.02 0.45 0.14 0.00 0.00 0.00 0.00 34.13 34.70 1y60 s GLU 11 CO 0.10 -0.31 1.12 0.00 0.02 0.00 0.00 175.26 176.19 1y60 s ALA 12 N -1.52 -2.02 -0.13 6.30 0.00 -0.88 -4.47 121.76 119.04 1y60 s ALA 12 Ca -0.10 1.77 0.03 0.00 0.00 0.00 0.00 51.96 53.66 1y60 s ALA 12 Cb -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1y60 s ALA 12 CO 0.06 -0.23 -0.22 -1.17 0.00 0.00 0.00 175.76 174.20 1y60 s LEU 13 N -0.21 2.09 -0.01 0.00 0.20 -1.26 -0.83 118.68 118.66 1y60 s LEU 13 Ca 0.03 -0.59 0.01 0.00 0.69 0.00 0.00 54.13 54.28 1y60 s LEU 13 Cb -0.04 -1.42 -0.00 0.00 -0.43 0.00 0.00 46.19 44.30 1y60 s LEU 13 CO -0.06 0.09 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.36 1y60 s VAL 14 N 0.73 0.37 0.00 1.68 1.01 0.03 -5.00 120.40 119.22 1y60 s VAL 14 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1y60 s VAL 14 Cb -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1y60 s VAL 14 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1y60 n GLY 15 N 3.10 -1.02 2.84 4.51 0.00 -1.26 -0.87 105.19 112.48 1y60 n GLY 15 Ca -0.14 -2.14 -0.06 0.00 0.00 0.00 0.00 46.02 43.68 1y60 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y60 n ASP 16 N 0.00 -1.65 0.00 1.61 5.68 -1.26 -4.84 116.55 116.09 1y60 n ASP 16 Ca 0.00 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1y60 n ASP 16 Cb 0.00 2.73 0.00 0.00 -1.14 0.00 0.00 41.12 42.71 1y60 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y60 n GLY 17 N -0.43 0.21 0.08 6.12 0.00 -1.26 -2.62 105.19 107.28 1y60 n GLY 17 Ca -0.06 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.11 1y60 n GLY 17 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y60 n ASN 18 N -2.08 0.54 -0.59 1.61 3.02 -1.26 -3.20 115.26 113.29 1y60 n ASN 18 Ca 0.00 0.57 0.14 0.00 -0.03 0.00 0.00 54.58 55.26 1y60 n ASN 18 Cb 0.00 -0.71 0.43 0.00 -0.61 0.00 0.00 39.78 38.89 1y60 n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y60 n GLU 19 N -2.03 1.81 -1.54 3.52 4.71 -1.22 -3.90 120.64 122.00 1y60 n GLU 19 Ca 0.05 -1.18 -0.50 0.00 -0.01 0.00 0.00 57.16 55.51 1y60 n GLU 19 Cb 0.35 -1.48 -0.05 0.00 -1.01 0.00 0.00 31.44 29.25 1y60 n GLU 19 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1y60 n VAL 20 N 0.44 0.89 -4.04 2.62 3.14 -1.08 -4.56 118.33 115.74 1y60 n VAL 20 Ca 0.18 -0.22 -0.34 0.00 -2.96 0.00 0.00 64.34 61.00 1y60 n VAL 20 Cb 0.41 -0.58 -0.07 0.00 -1.06 0.00 0.00 33.84 32.55 1y60 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y60 s ALA 21 N -0.27 3.69 -0.15 1.55 0.00 -0.05 -4.72 121.76 121.81 1y60 s ALA 21 Ca 0.75 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1y60 s ALA 21 Cb -0.94 -1.71 0.07 0.00 0.00 0.00 0.00 23.12 20.54 1y60 s ALA 21 CO 0.54 0.68 0.17 -1.58 0.00 0.00 0.00 175.76 175.57 1y60 s HIS 22 N -1.16 -0.15 -0.12 0.00 2.46 -1.26 -0.79 115.29 114.26 1y60 s HIS 22 Ca 0.21 0.29 -0.03 0.00 0.47 0.00 0.00 55.06 56.00 1y60 s HIS 22 Cb -0.12 -0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 31.92 1y60 s HIS 22 CO 0.12 -0.45 0.00 0.42 -2.47 0.00 0.00 174.74 172.36 1y60 s ILE 23 N 2.28 4.30 -0.21 0.89 -1.09 -0.01 -2.93 121.20 124.43 1y60 s ILE 23 Ca 0.04 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1y60 s ILE 23 Cb -0.14 -2.85 0.03 0.00 -1.58 0.00 0.00 42.46 37.91 1y60 s ILE 23 CO -0.09 0.55 -0.16 -1.81 -1.23 0.00 0.00 174.94 172.20 1y60 s ASP 24 N -0.31 3.59 0.06 3.58 1.11 -0.97 -2.08 116.67 121.66 1y60 s ASP 24 Ca 0.07 -0.82 0.05 0.00 0.18 0.00 0.00 52.55 52.03 1y60 s ASP 24 Cb -0.12 -1.53 -0.03 0.00 1.07 0.00 0.00 42.92 42.31 1y60 s ASP 24 CO 0.02 -0.05 -0.14 -0.22 1.18 0.00 0.00 175.17 175.96 1y60 s LEU 25 N 1.26 2.25 -0.02 1.23 0.20 0.25 -0.52 118.68 123.33 1y60 s LEU 25 Ca 0.02 -0.57 0.04 0.00 0.69 0.00 0.00 54.13 54.31 1y60 s LEU 25 Cb -0.15 -0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 45.08 1y60 s LEU 25 CO -0.10 -0.05 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.16 1y60 s ILE 26 N -1.15 0.98 0.01 6.68 1.01 -0.04 -0.17 121.20 128.52 1y60 s ILE 26 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1y60 s ILE 26 Cb -0.09 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 1y60 s ILE 26 CO 0.02 0.28 -0.05 -0.51 0.00 0.00 0.00 174.94 174.68 1y60 s ILE 27 N -0.17 0.41 0.00 2.92 2.07 -0.37 -0.14 121.20 125.93 1y60 s ILE 27 Ca 0.03 -0.44 -0.28 0.00 -1.41 0.00 0.00 60.65 58.54 1y60 s ILE 27 Cb -0.06 -0.39 0.10 0.00 0.13 0.00 0.00 42.46 42.24 1y60 s ILE 27 CO -0.00 -0.03 0.87 -0.83 -1.91 0.00 0.00 174.94 173.03 1y60 s GLY 28 N -0.52 -0.47 0.80 1.50 0.00 -0.77 -0.88 107.32 106.97 1y60 s GLY 28 Ca -0.02 1.01 -0.10 0.00 0.00 0.00 0.00 44.72 45.61 1y60 s GLY 28 CO -0.00 0.35 1.14 2.56 0.00 0.00 0.00 173.10 177.15 1y60 s PRO 29 N -3.09 1.74 0.38 2.90 0.04 -1.26 -0.97 135.00 134.74 1y60 s PRO 29 Ca 0.04 -0.21 -0.27 0.00 0.04 0.00 0.00 61.00 60.60 1y60 s PRO 29 Cb -0.01 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 1y60 s PRO 29 CO -0.09 -1.64 1.30 -2.13 0.04 0.00 0.00 177.00 174.49 1y60 n ARG 30 N -3.24 2.09 -0.67 4.56 0.63 -0.77 -1.54 116.66 117.72 1y60 n ARG 30 Ca 0.10 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1y60 n ARG 30 Cb 0.60 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1y60 n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y60 n GLY 31 N 0.75 1.10 3.87 5.14 0.00 -1.26 -5.04 105.19 109.75 1y60 n GLY 31 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1y60 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y60 s SER 32 N -3.08 5.04 0.30 1.61 1.04 -0.59 -4.99 113.70 113.04 1y60 s SER 32 Ca 0.00 -0.74 0.20 0.00 0.48 0.00 0.00 55.95 55.90 1y60 s SER 32 Cb 0.00 -0.61 1.10 0.00 0.10 0.00 0.00 66.02 66.61 1y60 s SER 32 CO 0.00 -0.62 1.63 -2.65 0.98 0.00 0.00 173.24 172.58 1y60 n PRO 33 N -1.51 0.13 -0.08 4.02 -0.02 -1.26 -1.51 135.00 134.77 1y60 n PRO 33 Ca 0.03 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1y60 n PRO 33 Cb 0.62 -1.93 0.02 0.00 -0.02 0.00 0.00 33.50 32.19 1y60 n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y60 h ALA 34 N 2.01 0.68 -0.33 3.55 0.00 -1.89 -1.30 119.26 121.97 1y60 h ALA 34 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1y60 h ALA 34 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1y60 h ALA 34 CO 0.00 0.67 -0.34 1.49 0.00 0.00 0.00 179.25 181.07 1y60 h GLU 35 N 0.67 0.74 -0.13 0.00 4.81 -1.47 -0.74 114.58 118.45 1y60 h GLU 35 Ca 0.06 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1y60 h GLU 35 Cb 0.95 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1y60 h GLU 35 CO 0.09 0.97 0.01 1.15 -0.73 0.00 0.00 179.01 180.50 1y60 h THR 36 N 0.62 1.24 -0.15 0.32 2.02 -1.43 -2.13 112.91 113.40 1y60 h THR 36 Ca 0.06 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 1y60 h THR 36 Cb 0.87 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1y60 h THR 36 CO 0.08 0.23 -0.27 0.00 0.37 0.00 0.00 175.52 175.92 1y60 h ALA 37 N 0.77 1.28 0.04 6.16 0.00 -1.24 0.43 119.26 126.71 1y60 h ALA 37 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1y60 h ALA 37 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y60 h ALA 37 CO 0.01 0.49 -0.02 0.35 0.00 0.00 0.00 179.25 180.07 1y60 h PHE 38 N 0.24 -0.05 -0.27 0.00 3.57 -0.97 0.88 116.94 120.34 1y60 h PHE 38 Ca 0.04 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1y60 h PHE 38 Cb 0.61 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1y60 h PHE 38 CO 0.01 0.01 -0.07 0.00 -2.23 0.00 0.00 178.31 176.03 1y60 h ASN 40 N 0.27 0.08 -0.06 0.00 2.35 -0.90 -3.08 115.58 114.23 1y60 h ASN 40 Ca 0.07 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1y60 h ASN 40 Cb 0.55 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.90 1y60 h ASN 40 CO 0.03 0.32 -0.35 1.23 -1.65 0.00 0.00 177.43 177.01 1y60 h GLY 41 N 0.82 0.39 1.19 2.83 0.00 -0.67 -3.24 103.07 104.38 1y60 h GLY 41 Ca 0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1y60 h GLY 41 CO 0.03 0.49 0.44 -2.00 0.00 0.00 0.00 176.54 175.51 1y60 h LEU 42 N -0.15 0.95 -0.20 3.11 5.85 -1.25 -2.82 115.31 120.79 1y60 h LEU 42 Ca -0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1y60 h LEU 42 Cb 1.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1y60 h LEU 42 CO 0.07 0.75 0.00 1.33 -0.34 0.00 0.00 178.44 180.25 1y60 n VAL 43 N -4.36 0.67 -3.53 1.05 0.24 -1.17 -4.62 118.33 106.60 1y60 n VAL 43 Ca 0.08 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.81 1y60 n VAL 43 Cb 0.08 -0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 31.64 1y60 n VAL 43 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1y60 s ASN 44 N -4.51 5.88 0.09 -1.34 2.47 -1.07 -5.06 114.94 111.41 1y60 s ASN 44 Ca 0.09 -2.42 0.04 0.00 0.42 0.00 0.00 52.86 50.99 1y60 s ASN 44 Cb 0.11 -2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 37.85 1y60 s ASN 44 CO 0.54 -0.57 0.03 0.20 -3.72 0.00 0.00 177.10 173.59 1y60 s ASN 45 N 1.96 5.23 0.19 -4.21 0.02 -1.26 -4.73 114.94 112.13 1y60 s ASN 45 Ca 0.13 -0.12 -0.04 0.00 -1.02 0.00 0.00 52.86 51.81 1y60 s ASN 45 Cb -0.20 -1.31 -0.03 0.00 0.02 0.00 0.00 41.25 39.73 1y60 s ASN 45 CO -0.04 0.17 0.18 -1.59 0.02 0.00 0.00 177.10 175.84 1y60 s LYS 46 N -2.39 1.18 0.17 -0.60 0.00 -0.51 -5.02 119.74 112.57 1y60 s LYS 46 Ca 0.27 -1.47 -0.32 0.00 0.00 0.00 0.00 55.97 54.45 1y60 s LYS 46 Cb -0.12 0.31 -0.12 0.00 0.00 0.00 0.00 37.83 37.90 1y60 s LYS 46 CO 0.20 -0.40 1.75 1.58 0.00 0.00 0.00 175.35 178.48 1y60 n HIS 47 N -0.24 2.65 0.00 1.78 -0.00 -1.26 -1.19 115.22 116.96 1y60 n HIS 47 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1y60 n HIS 47 Cb 0.64 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 1y60 n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y60 n GLY 48 N 4.00 2.61 2.49 1.57 0.00 -1.26 -4.94 105.19 109.66 1y60 n GLY 48 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1y60 n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y60 s PHE 49 N -2.63 0.56 -0.09 1.61 0.40 -0.33 -1.82 117.98 115.68 1y60 s PHE 49 Ca 0.00 -1.38 0.01 0.00 -0.60 0.00 0.00 56.93 54.95 1y60 s PHE 49 Cb 0.00 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1y60 s PHE 49 CO 0.00 -0.83 -0.10 0.99 0.70 0.00 0.00 175.22 175.97 1y60 s THR 50 N 1.37 3.38 -0.09 0.64 2.01 -1.26 -1.42 115.64 120.27 1y60 s THR 50 Ca 0.16 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 1y60 s THR 50 Cb -0.21 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1y60 s THR 50 CO -0.09 0.57 -0.00 -0.44 -0.69 0.00 0.00 174.62 173.96 1y60 s SER 51 N -0.38 5.19 0.06 3.53 0.01 -1.26 -4.59 113.70 116.27 1y60 s SER 51 Ca 0.05 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1y60 s SER 51 Cb -0.12 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1y60 s SER 51 CO 0.02 0.36 -0.04 -0.76 0.41 0.00 0.00 173.24 173.23 1y60 s LEU 52 N -0.76 2.47 0.34 2.44 1.43 -0.85 -4.85 118.68 118.89 1y60 s LEU 52 Ca 0.12 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 1y60 s LEU 52 Cb -0.11 0.08 -0.10 0.00 0.03 0.00 0.00 46.19 46.08 1y60 s LEU 52 CO 0.02 -0.52 1.34 -0.76 0.23 0.00 0.00 176.35 176.67 1y60 s LEU 53 N -2.82 4.41 0.07 1.79 1.43 -1.26 -0.76 118.68 121.54 1y60 s LEU 53 Ca 0.07 2.76 -0.30 0.00 -1.03 0.00 0.00 54.13 55.62 1y60 s LEU 53 Cb 0.05 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1y60 s LEU 53 CO -0.07 -0.60 0.99 0.00 0.23 0.00 0.00 176.35 176.90 1y60 s ALA 54 N -1.10 3.23 0.02 4.21 0.00 0.78 -4.84 121.76 124.06 1y60 s ALA 54 Ca 0.50 0.60 0.04 0.00 0.00 0.00 0.00 51.96 53.10 1y60 s ALA 54 Cb -0.41 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1y60 s ALA 54 CO 0.55 -0.15 -0.12 0.14 0.00 0.00 0.00 175.76 176.18 1y60 s VAL 55 N 0.46 0.97 0.23 0.00 -7.23 -1.26 -2.94 120.40 110.63 1y60 s VAL 55 Ca 0.50 -0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1y60 s VAL 55 Cb -0.23 -0.86 0.08 0.00 0.56 0.00 0.00 36.38 35.93 1y60 s VAL 55 CO 0.29 0.07 1.69 0.40 -0.31 0.00 0.00 175.10 177.25 1y60 h ILE 56 N 4.65 1.26 -2.55 -0.62 2.04 -1.46 -3.38 117.51 117.45 1y60 h ILE 56 Ca -0.35 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.43 1y60 h ILE 56 Cb 1.18 0.94 -0.14 0.00 -0.74 0.00 0.00 36.82 38.06 1y60 h ILE 56 CO 0.46 0.40 0.39 0.00 0.00 0.00 0.00 178.15 179.39 1y60 s ALA 57 N -4.89 -1.73 0.31 1.87 0.00 -1.16 -4.76 121.76 111.39 1y60 s ALA 57 Ca -0.10 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1y60 s ALA 57 Cb 0.14 0.60 -0.13 0.00 0.00 0.00 0.00 23.12 23.73 1y60 s ALA 57 CO 0.83 -0.73 1.31 -2.30 0.00 0.00 0.00 175.76 174.87 1y60 n PRO 58 N -0.30 2.07 -1.02 0.00 -0.02 -1.26 -0.18 135.00 134.28 1y60 n PRO 58 Ca -0.12 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1y60 n PRO 58 Cb 0.63 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1y60 n PRO 58 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y60 n ASN 59 N 1.18 -3.89 -3.08 2.55 3.02 -1.26 -4.93 115.26 108.85 1y60 n ASN 59 Ca 0.07 0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.45 1y60 n ASN 59 Cb 0.35 -1.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.02 1y60 n ASN 59 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1y60 n LEU 60 N -0.08 -1.25 -4.79 3.41 7.94 0.74 -5.12 117.00 117.85 1y60 n LEU 60 Ca -0.01 -4.03 -0.34 0.00 -1.11 0.00 0.00 56.01 50.53 1y60 n LEU 60 Cb 0.16 0.68 -0.00 0.00 0.53 0.00 0.00 43.42 44.79 1y60 n LEU 60 CO 0.01 1.98 0.74 -2.16 -1.11 0.00 0.00 177.39 176.85 1y60 s PRO 61 N -0.12 3.41 0.57 1.96 0.04 -1.26 -1.23 135.00 138.37 1y60 s PRO 61 Ca 0.33 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1y60 s PRO 61 Cb 0.12 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1y60 s PRO 61 CO -0.15 -0.77 1.02 0.00 0.04 0.00 0.00 177.00 177.14 1y60 s LYS 63 N -4.32 0.73 0.50 0.00 -0.14 -1.26 -3.92 119.74 111.33 1y60 s LYS 63 Ca 0.60 -0.14 -0.22 0.00 -1.36 0.00 0.00 55.97 54.85 1y60 s LYS 63 Cb -0.13 -0.73 -0.08 0.00 -1.68 0.00 0.00 37.83 35.22 1y60 s LYS 63 CO 0.39 -0.01 0.98 -0.35 -0.76 0.00 0.00 175.35 175.60 1y60 n PRO 64 N 3.69 1.17 -1.62 -1.68 -0.04 -1.15 -4.71 135.00 130.65 1y60 n PRO 64 Ca -0.22 0.43 -0.52 0.00 -0.04 0.00 0.00 63.50 63.15 1y60 n PRO 64 Cb 0.53 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1y60 n PRO 64 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y60 n ASN 65 N -0.04 2.01 -4.01 3.54 3.02 -1.24 -4.73 115.26 113.82 1y60 n ASN 65 Ca 0.11 1.10 -0.24 0.00 -0.03 0.00 0.00 54.58 55.53 1y60 n ASN 65 Cb 0.43 -1.22 -0.16 0.00 -0.61 0.00 0.00 39.78 38.22 1y60 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1y60 s THR 66 N 1.15 1.03 -0.17 3.41 2.01 -1.26 -1.05 115.64 120.76 1y60 s THR 66 Ca 0.86 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 1y60 s THR 66 Cb -0.93 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1y60 s THR 66 CO 0.49 0.33 0.05 -0.22 -0.69 0.00 0.00 174.62 174.57 1y60 s LEU 67 N 0.61 3.75 -0.07 4.42 2.96 0.42 -0.15 118.68 130.62 1y60 s LEU 67 Ca -0.12 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1y60 s LEU 67 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1y60 s LEU 67 CO 0.03 0.20 -0.11 -0.04 -1.32 0.00 0.00 176.35 175.11 1y60 s MET 68 N 0.22 2.75 0.01 1.98 -1.94 0.07 -0.33 119.30 122.06 1y60 s MET 68 Ca 0.03 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1y60 s MET 68 Cb -0.12 -2.52 -0.01 0.00 2.01 0.00 0.00 34.83 34.19 1y60 s MET 68 CO 0.01 0.58 0.01 -0.59 -0.01 0.00 0.00 175.02 175.01 1y60 s PHE 69 N -0.59 0.11 0.28 -0.03 -0.12 -0.39 -2.01 117.98 115.23 1y60 s PHE 69 Ca 0.09 -0.23 -0.06 0.00 -0.05 0.00 0.00 56.93 56.67 1y60 s PHE 69 Cb -0.11 -0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 1y60 s PHE 69 CO 0.02 -0.12 0.56 0.54 -0.05 0.00 0.00 175.22 176.16 1y60 s ASN 70 N -0.81 6.47 -0.22 1.98 4.22 -1.26 -1.24 114.94 124.09 1y60 s ASN 70 Ca -0.09 0.76 0.02 0.00 -2.14 0.00 0.00 52.86 51.41 1y60 s ASN 70 Cb -0.05 -2.16 -0.20 0.00 1.28 0.00 0.00 41.25 40.12 1y60 s ASN 70 CO -0.00 -0.18 -0.06 0.29 -2.04 0.00 0.00 177.10 175.11 1y60 n LYS 71 N -0.81 0.68 -3.33 3.55 5.02 -0.89 -4.86 118.16 117.52 1y60 n LYS 71 Ca -0.01 0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 56.06 1y60 n LYS 71 Cb 0.54 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1y60 n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y60 s VAL 72 N -2.53 5.19 0.11 -0.18 1.01 -1.26 -5.01 120.40 117.73 1y60 s VAL 72 Ca -0.30 0.94 -0.36 0.00 0.00 0.00 0.00 61.98 62.26 1y60 s VAL 72 Cb 0.08 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.49 1y60 s VAL 72 CO 0.66 0.33 1.32 0.41 0.00 0.00 0.00 175.10 177.82 1y60 n THR 73 N 3.62 0.20 -3.35 3.92 -1.04 -1.26 -4.92 114.28 111.44 1y60 n THR 73 Ca -0.07 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 1y60 n THR 73 Cb 0.52 -0.88 -0.09 0.00 -1.82 0.00 0.00 70.33 68.06 1y60 n THR 73 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1y60 s ILE 74 N 0.36 5.12 -0.24 12.58 1.01 -0.76 -4.93 121.20 134.35 1y60 s ILE 74 Ca 0.82 -0.39 0.21 0.00 0.00 0.00 0.00 60.65 61.29 1y60 s ILE 74 Cb -0.91 -4.01 -0.30 0.00 0.01 0.00 0.00 42.46 37.25 1y60 s ILE 74 CO 0.47 -0.38 0.55 0.59 0.00 0.00 0.00 174.94 176.18 1y60 n ASN 75 N 5.50 0.37 -3.62 3.58 3.02 -1.26 -4.14 115.26 118.71 1y60 n ASN 75 Ca -0.08 -0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.11 1y60 n ASN 75 Cb 0.47 1.74 -0.06 0.00 -0.61 0.00 0.00 39.78 41.32 1y60 n ASN 75 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1y60 s ASP 76 N -4.07 0.63 0.30 6.41 3.84 -1.26 -5.05 116.67 117.46 1y60 s ASP 76 Ca -0.04 -1.37 -0.01 0.00 -0.00 0.00 0.00 52.55 51.13 1y60 s ASP 76 Cb 0.14 0.58 0.45 0.00 -1.38 0.00 0.00 42.92 42.70 1y60 s ASP 76 CO 0.87 -1.14 1.87 0.00 -0.00 0.00 0.00 175.17 176.77 1y60 h ALA 77 N 2.25 1.29 -0.39 2.11 0.00 -1.99 -2.21 119.26 120.33 1y60 h ALA 77 Ca -0.29 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1y60 h ALA 77 Cb 1.24 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1y60 h ALA 77 CO 0.41 0.52 0.06 -0.09 0.00 0.00 0.00 179.25 180.14 1y60 h ARG 78 N 0.83 0.17 -0.48 0.00 2.43 -2.00 0.54 114.38 115.87 1y60 h ARG 78 Ca 0.20 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1y60 h ARG 78 Cb 0.19 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1y60 h ARG 78 CO -0.02 0.11 0.01 1.96 -1.51 0.00 0.00 179.97 180.52 1y60 h GLN 79 N 0.18 0.85 -0.75 0.20 4.20 -1.94 -2.43 115.11 115.42 1y60 h GLN 79 Ca 0.19 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1y60 h GLN 79 Cb 0.24 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1y60 h GLN 79 CO -0.26 0.89 0.49 0.00 -0.67 0.00 0.00 178.83 179.28 1y60 h ALA 80 N 0.93 0.95 -0.34 3.87 0.00 -0.76 -1.68 119.26 122.23 1y60 h ALA 80 Ca 0.14 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1y60 h ALA 80 Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1y60 h ALA 80 CO 0.02 0.37 -0.36 0.28 0.00 0.00 0.00 179.25 179.57 1y60 h VAL 81 N 1.02 1.28 -0.01 0.00 2.07 -0.84 0.61 116.25 120.38 1y60 h VAL 81 Ca 0.27 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1y60 h VAL 81 Cb -0.11 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1y60 h VAL 81 CO -0.06 0.50 0.00 1.56 0.02 0.00 0.00 177.57 179.59 1y60 h GLN 82 N 0.64 0.01 -0.19 1.57 4.20 -1.19 0.34 115.11 120.48 1y60 h GLN 82 Ca 0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1y60 h GLN 82 Cb 0.90 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1y60 h GLN 82 CO 0.08 0.05 0.13 1.98 -0.67 0.00 0.00 178.83 180.40 1y60 h MET 83 N -0.03 0.26 -0.89 1.46 4.05 -1.17 -2.06 114.93 116.55 1y60 h MET 83 Ca 0.00 -0.02 -0.56 0.00 -0.28 0.00 0.00 59.70 58.84 1y60 h MET 83 Cb 0.04 -0.06 -0.29 0.00 -0.80 0.00 0.00 31.60 30.49 1y60 h MET 83 CO -0.00 0.17 0.49 1.19 0.23 0.00 0.00 176.91 178.99 1y60 n PHE 84 N -4.95 2.88 0.00 1.39 3.01 0.19 -1.80 117.46 118.17 1y60 n PHE 84 Ca -0.03 -2.46 0.00 0.00 1.01 0.00 0.00 57.45 55.97 1y60 n PHE 84 Cb 0.03 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.43 1y60 n PHE 84 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y60 n GLY 85 N -0.98 1.59 0.22 1.37 0.00 0.12 -4.76 105.19 102.74 1y60 n GLY 85 Ca 0.56 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 1y60 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y60 h PRO 86 N 0.00 0.60 -0.21 1.61 0.13 -1.68 0.25 132.00 132.69 1y60 h PRO 86 Ca 0.00 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1y60 h PRO 86 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 1y60 h PRO 86 CO 0.00 0.39 -0.04 0.00 -0.23 0.00 0.00 178.00 178.13 1y60 h ALA 87 N 1.25 0.29 -0.21 -0.56 0.00 -1.52 -0.17 119.26 118.34 1y60 h ALA 87 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1y60 h ALA 87 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1y60 h ALA 87 CO -0.11 0.06 0.07 0.37 0.00 0.00 0.00 179.25 179.64 1y60 h GLN 88 N 0.14 0.17 -0.77 0.00 4.15 -1.16 0.27 115.11 117.91 1y60 h GLN 88 Ca 0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1y60 h GLN 88 Cb 0.48 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1y60 h GLN 88 CO 0.02 0.11 0.48 1.25 -1.93 0.00 0.00 178.83 178.76 1y60 h HIS 89 N 0.17 1.01 -0.23 3.99 2.76 -0.89 0.53 115.15 122.50 1y60 h HIS 89 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1y60 h HIS 89 Cb 0.06 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1y60 h HIS 89 CO -0.12 0.67 0.15 0.78 -1.30 0.00 0.00 177.93 178.11 1y60 h GLY 90 N 1.06 0.32 0.91 5.26 0.00 -0.26 -0.01 103.07 110.36 1y60 h GLY 90 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1y60 h GLY 90 CO -0.05 0.12 0.08 -2.08 0.00 0.00 0.00 176.54 174.60 1y60 h VAL 91 N 0.30 1.13 -0.63 4.60 2.07 -0.11 -1.37 116.25 122.24 1y60 h VAL 91 Ca 0.08 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1y60 h VAL 91 Cb -0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1y60 h VAL 91 CO -0.02 0.12 0.27 0.00 0.02 0.00 0.00 177.57 177.96 1y60 h ALA 92 N 0.95 0.82 -0.37 1.67 0.00 -0.79 -1.35 119.26 120.20 1y60 h ALA 92 Ca 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1y60 h ALA 92 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y60 h ALA 92 CO -0.01 0.43 -0.13 0.52 0.00 0.00 0.00 179.25 180.06 1y60 h MET 93 N 0.88 0.65 -0.47 0.00 2.86 -0.90 -1.21 114.93 116.75 1y60 h MET 93 Ca 0.21 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1y60 h MET 93 Cb 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1y60 h MET 93 CO -0.02 0.76 0.25 0.00 1.06 0.00 0.00 176.91 178.96 1y60 h ALA 94 N 1.26 0.60 -0.17 6.32 0.00 -0.84 0.48 119.26 126.91 1y60 h ALA 94 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y60 h ALA 94 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1y60 h ALA 94 CO 0.04 0.14 0.10 0.28 0.00 0.00 0.00 179.25 179.80 1y60 h VAL 95 N 0.62 1.09 -0.48 0.00 2.07 -0.95 -0.58 116.25 118.02 1y60 h VAL 95 Ca 0.16 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1y60 h VAL 95 Cb 0.08 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1y60 h VAL 95 CO -0.02 0.09 -0.16 -0.61 0.02 0.00 0.00 177.57 176.88 1y60 h GLN 96 N 0.18 0.94 -0.51 1.57 5.75 -0.85 -2.28 115.11 119.92 1y60 h GLN 96 Ca 0.06 -0.36 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 1y60 h GLN 96 Cb 0.06 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1y60 h GLN 96 CO -0.01 1.02 0.10 -0.44 -2.65 0.00 0.00 178.83 176.85 1y60 h ASP 97 N 0.82 0.74 -0.33 -0.69 3.45 0.06 -0.30 116.42 120.17 1y60 h ASP 97 Ca 0.12 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1y60 h ASP 97 Cb 0.71 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1y60 h ASP 97 CO 0.05 0.74 0.13 0.00 -1.57 0.00 0.00 179.24 178.60 1y60 h ALA 98 N 1.35 1.50 -0.08 3.45 0.00 -0.62 0.24 119.26 125.10 1y60 h ALA 98 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1y60 h ALA 98 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y60 h ALA 98 CO 0.00 0.38 -0.16 0.28 0.00 0.00 0.00 179.25 179.76 1y60 h VAL 99 N 0.55 1.40 -0.68 0.00 2.07 -0.85 0.89 116.25 119.64 1y60 h VAL 99 Ca 0.13 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1y60 h VAL 99 Cb 0.15 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 1y60 h VAL 99 CO -0.01 0.41 0.37 0.00 0.02 0.00 0.00 177.57 178.36 1y60 h ALA 100 N 0.50 0.91 0.00 1.67 0.00 -0.46 -1.02 119.26 120.87 1y60 h ALA 100 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1y60 h ALA 100 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1y60 h ALA 100 CO 0.03 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1y60 n GLU 101 N -4.79 0.91 -0.95 0.00 1.02 0.80 -4.90 120.64 112.72 1y60 n GLU 101 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1y60 n GLU 101 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1y60 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y60 n GLY 102 N 0.83 0.94 0.31 0.62 0.00 -0.39 -4.89 105.19 102.61 1y60 n GLY 102 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 1y60 n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1y60 h ILE 103 N 0.00 1.25 -3.63 -0.61 2.04 -1.08 -3.31 117.51 112.17 1y60 h ILE 103 Ca 0.00 -0.83 -0.69 0.00 1.00 0.00 0.00 64.86 64.35 1y60 h ILE 103 Cb 0.00 0.48 -0.27 0.00 -0.74 0.00 0.00 36.82 36.29 1y60 h ILE 103 CO 0.00 0.33 -0.61 -0.63 0.00 0.00 0.00 178.15 177.24 1y60 s ILE 104 N -5.48 3.92 0.22 -0.67 1.01 -0.81 -4.99 121.20 114.40 1y60 s ILE 104 Ca -0.12 -0.88 -0.32 0.00 0.00 0.00 0.00 60.65 59.33 1y60 s ILE 104 Cb 0.14 -3.11 -0.14 0.00 0.01 0.00 0.00 42.46 39.37 1y60 s ILE 104 CO 0.82 -0.04 1.44 -2.65 0.00 0.00 0.00 174.94 174.52 1y60 n PRO 105 N 4.85 2.04 -0.29 2.79 -0.02 -1.25 -4.27 135.00 138.85 1y60 n PRO 105 Ca -0.14 0.73 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1y60 n PRO 105 Cb 0.47 -2.41 0.33 0.00 -0.02 0.00 0.00 33.50 31.87 1y60 n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y60 h ALA 106 N 4.60 1.73 -0.02 3.55 0.00 -1.89 -0.28 119.26 126.94 1y60 h ALA 106 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1y60 h ALA 106 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1y60 h ALA 106 CO 0.79 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 1y60 n ASP 107 N -4.57 0.14 0.00 0.00 5.75 -1.26 -2.86 116.55 113.75 1y60 n ASP 107 Ca 0.17 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1y60 n ASP 107 Cb 0.41 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1y60 n ASP 107 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1y60 n GLU 108 N -0.43 3.95 0.21 0.11 1.02 -0.17 -4.80 120.64 120.53 1y60 n GLU 108 Ca 0.01 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1y60 n GLU 108 Cb 0.02 -0.57 0.78 0.00 -0.02 0.00 0.00 31.44 31.65 1y60 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y60 h ALA 109 N 0.00 1.90 -0.02 0.62 0.00 -1.26 -1.61 119.26 118.89 1y60 h ALA 109 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y60 h ALA 109 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1y60 h ALA 109 CO 0.00 -0.21 0.00 -0.25 0.00 0.00 0.00 179.25 178.79 1y60 n ASP 110 N -4.10 1.08 -1.31 0.00 10.43 -1.26 -2.95 116.55 118.44 1y60 n ASP 110 Ca 0.01 -1.38 0.03 0.00 2.57 0.00 0.00 54.79 56.01 1y60 n ASP 110 Cb 0.25 -0.01 0.09 0.00 1.84 0.00 0.00 41.12 43.29 1y60 n ASP 110 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1y60 n ASP 111 N -0.15 1.53 -4.28 -2.24 9.92 -0.61 -5.00 116.55 115.72 1y60 n ASP 111 Ca 0.20 -2.79 -0.17 0.00 -0.53 0.00 0.00 54.79 51.49 1y60 n ASP 111 Cb 0.28 -0.40 -0.10 0.00 -0.64 0.00 0.00 41.12 40.26 1y60 n ASP 111 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1y60 s LEU 112 N -1.68 2.49 -0.01 0.64 1.43 -1.21 -1.84 118.68 118.50 1y60 s LEU 112 Ca 0.36 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1y60 s LEU 112 Cb 0.38 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 1y60 s LEU 112 CO -0.11 -0.20 -0.12 -0.31 0.23 0.00 0.00 176.35 175.84 1y60 s TYR 113 N -2.71 1.06 -0.04 0.29 2.02 -0.15 -3.59 117.35 114.23 1y60 s TYR 113 Ca 0.15 -0.21 0.06 0.00 -0.37 0.00 0.00 57.07 56.70 1y60 s TYR 113 Cb -0.02 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.84 1y60 s TYR 113 CO 0.04 -0.03 -0.21 0.08 -1.57 0.00 0.00 175.55 173.86 1y60 s VAL 114 N -0.21 1.70 -0.17 0.71 1.01 -0.21 -1.85 120.40 121.37 1y60 s VAL 114 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1y60 s VAL 114 Cb -0.05 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1y60 s VAL 114 CO -0.00 0.48 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 1y60 s LEU 115 N -0.20 2.21 -0.20 3.92 1.43 0.80 -0.43 118.68 126.22 1y60 s LEU 115 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1y60 s LEU 115 Cb -0.11 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.66 1y60 s LEU 115 CO 0.02 0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.84 1y60 s VAL 116 N 1.10 1.63 -0.23 -1.59 1.01 0.55 -0.87 120.40 122.01 1y60 s VAL 116 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1y60 s VAL 116 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1y60 s VAL 116 CO -0.07 0.18 0.43 -0.83 0.00 0.00 0.00 175.10 174.81 1y60 s GLY 117 N 1.40 1.98 0.02 4.51 0.00 0.32 -1.26 107.32 114.29 1y60 s GLY 117 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.19 1y60 s GLY 117 CO -0.08 0.99 -0.26 -1.34 0.00 0.00 0.00 173.10 172.40 1y60 s VAL 118 N 1.77 2.12 -0.19 1.40 -7.23 -0.37 -2.28 120.40 115.61 1y60 s VAL 118 Ca 0.19 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1y60 s VAL 118 Cb -0.15 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1y60 s VAL 118 CO 0.09 0.46 0.07 0.12 -0.31 0.00 0.00 175.10 175.53 1y60 s PHE 119 N -0.72 3.24 -0.20 2.82 2.19 -1.15 -2.10 117.98 122.06 1y60 s PHE 119 Ca 0.11 0.04 -0.05 0.00 0.33 0.00 0.00 56.93 57.37 1y60 s PHE 119 Cb -0.10 -2.11 0.07 0.00 -1.31 0.00 0.00 43.02 39.56 1y60 s PHE 119 CO 0.01 0.10 0.09 0.42 1.83 0.00 0.00 175.22 177.67 1y60 s ILE 120 N 0.56 -0.04 0.61 3.12 1.01 -1.26 -4.37 121.20 120.82 1y60 s ILE 120 Ca 0.04 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 1y60 s ILE 120 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1y60 s ILE 120 CO 0.01 -0.37 1.11 1.57 0.00 0.00 0.00 174.94 177.26 1y60 n HIS 121 N 5.26 1.34 0.46 3.97 -0.00 -1.26 -4.76 115.22 120.23 1y60 n HIS 121 Ca -0.07 0.43 0.06 0.00 -0.00 0.00 0.00 57.72 58.14 1y60 n HIS 121 Cb 0.47 -2.21 0.27 0.00 -0.00 0.00 0.00 29.99 28.52 1y60 n HIS 121 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.34 173.67 1y60 n TRP 122 N -1.67 0.00 0.10 1.57 4.27 -1.26 -1.83 117.44 118.62 1y60 n TRP 122 Ca 0.14 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.84 1y60 n TRP 122 Cb 0.47 -0.41 0.19 0.00 -1.36 0.00 0.00 31.31 30.21 1y60 n TRP 122 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1y60 n GLU 123 N -1.41 2.36 -1.81 -2.67 1.02 -1.26 -4.98 120.64 111.90 1y60 n GLU 123 Ca 0.04 -2.14 -0.41 0.00 -0.02 0.00 0.00 57.16 54.63 1y60 n GLU 123 Cb 0.12 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1y60 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y60 s ALA 124 N -1.21 3.45 0.00 0.62 0.00 -0.76 -4.85 121.76 119.01 1y60 s ALA 124 Ca 0.33 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1y60 s ALA 124 Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1y60 s ALA 124 CO 0.26 -1.10 0.00 0.00 0.00 0.00 0.00 175.76 174.92 1y60 n ALA 125 N 0.22 1.55 -2.65 0.00 0.00 -1.26 -5.02 120.51 113.35 1y60 n ALA 125 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1y60 n ALA 125 Cb 0.40 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 1y60 n ALA 125 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y60 s ASP 126 N -2.14 6.33 0.27 0.00 3.68 -1.26 -4.90 116.67 118.64 1y60 s ASP 126 Ca 0.00 -0.31 -0.01 0.00 2.13 0.00 0.00 52.55 54.35 1y60 s ASP 126 Cb 0.00 -2.48 0.47 0.00 -1.45 0.00 0.00 42.92 39.46 1y60 s ASP 126 CO 0.00 -1.38 1.85 0.44 0.13 0.00 0.00 175.17 176.21 1y60 h ASP 127 N 9.47 0.94 -0.80 -0.34 3.32 -1.99 -1.33 116.42 125.70 1y60 h ASP 127 Ca -0.26 0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1y60 h ASP 127 Cb 1.07 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1y60 h ASP 127 CO 1.14 0.55 0.51 0.00 -1.72 0.00 0.00 179.24 179.73 1y60 h ALA 128 N 1.49 1.05 -0.16 3.45 0.00 -1.99 -0.48 119.26 122.62 1y60 h ALA 128 Ca 0.46 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1y60 h ALA 128 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1y60 h ALA 128 CO -0.22 0.33 -0.30 0.87 0.00 0.00 0.00 179.25 179.92 1y60 h LYS 129 N 0.99 0.48 -0.29 0.00 1.57 -1.79 -0.53 116.57 117.00 1y60 h LYS 129 Ca 0.32 -0.31 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1y60 h LYS 129 Cb 0.01 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 1y60 h LYS 129 CO -0.11 0.91 -0.10 0.82 -0.57 0.00 0.00 179.45 180.40 1y60 h ILE 130 N 0.11 0.65 -0.14 1.86 2.04 -1.03 0.30 117.51 121.29 1y60 h ILE 130 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1y60 h ILE 130 Cb 0.90 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1y60 h ILE 130 CO 0.07 0.00 0.07 -0.61 0.00 0.00 0.00 178.15 177.68 1y60 h GLN 131 N -0.04 0.20 -0.18 2.37 4.15 -1.05 -1.59 115.11 118.97 1y60 h GLN 131 Ca 0.14 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 1y60 h GLN 131 Cb 0.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1y60 h GLN 131 CO -0.32 0.25 -0.00 -0.22 -1.93 0.00 0.00 178.83 176.60 1y60 h LYS 132 N 0.11 0.32 -0.63 1.69 3.64 -0.66 -1.34 116.57 119.70 1y60 h LYS 132 Ca 0.05 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1y60 h LYS 132 Cb 0.11 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1y60 h LYS 132 CO -0.01 0.53 0.28 1.88 -2.27 0.00 0.00 179.45 179.87 1y60 h TYR 133 N 0.07 0.93 -0.14 1.91 0.99 -0.42 -0.51 116.97 119.79 1y60 h TYR 133 Ca 0.05 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1y60 h TYR 133 Cb 0.39 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 1y60 h TYR 133 CO 0.04 0.72 -0.34 -0.91 -0.00 0.00 0.00 178.16 177.66 1y60 h ASN 134 N 0.87 0.30 0.06 3.88 2.35 -1.28 0.21 115.58 121.97 1y60 h ASN 134 Ca 0.21 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1y60 h ASN 134 Cb 0.16 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1y60 h ASN 134 CO -0.02 0.63 -0.03 0.22 -1.65 0.00 0.00 177.43 176.58 1y60 h TYR 135 N 0.25 -0.07 -0.55 1.19 3.20 -0.88 -0.11 116.97 120.01 1y60 h TYR 135 Ca 0.03 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1y60 h TYR 135 Cb 0.73 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1y60 h TYR 135 CO 0.01 0.19 0.13 0.93 -1.64 0.00 0.00 178.16 177.79 1y60 h GLU 136 N -0.34 0.87 -0.46 1.82 4.39 -0.87 -1.10 114.58 118.90 1y60 h GLU 136 Ca -0.01 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 1y60 h GLU 136 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1y60 h GLU 136 CO 0.01 0.82 -0.06 0.00 -1.16 0.00 0.00 179.01 178.63 1y60 h ALA 137 N 1.01 1.03 -0.31 3.43 0.00 -0.56 -0.31 119.26 123.56 1y60 h ALA 137 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1y60 h ALA 137 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y60 h ALA 137 CO 0.00 0.59 -0.29 1.15 0.00 0.00 0.00 179.25 180.70 1y60 h THR 138 N 0.73 1.29 -0.68 0.00 2.02 -0.88 -0.90 112.91 114.49 1y60 h THR 138 Ca 0.13 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.79 1y60 h THR 138 Cb 0.53 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1y60 h THR 138 CO 0.03 0.47 0.19 0.50 0.37 0.00 0.00 175.52 177.09 1y60 h LYS 139 N 0.51 1.06 -0.42 6.66 3.64 -0.94 -0.76 116.57 126.33 1y60 h LYS 139 Ca 0.05 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1y60 h LYS 139 Cb 0.87 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1y60 h LYS 139 CO 0.07 0.92 0.01 1.25 -2.27 0.00 0.00 179.45 179.43 1y60 h LEU 140 N 1.02 0.72 -1.09 5.20 6.46 -0.97 -1.60 115.31 125.04 1y60 h LEU 140 Ca 0.22 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1y60 h LEU 140 Cb 0.31 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1y60 h LEU 140 CO -0.00 0.84 0.42 0.28 -0.62 0.00 0.00 178.44 179.36 1y60 h SER 141 N 0.57 0.94 -0.15 1.25 0.02 -0.73 -0.09 113.55 115.36 1y60 h SER 141 Ca 0.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1y60 h SER 141 Cb 0.47 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1y60 h SER 141 CO 0.02 0.76 -0.07 0.40 -1.14 0.00 0.00 176.83 176.80 1y60 h ILE 142 N 1.07 1.31 -0.57 3.27 2.04 -1.03 0.11 117.51 123.70 1y60 h ILE 142 Ca 0.27 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1y60 h ILE 142 Cb 0.02 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1y60 h ILE 142 CO -0.04 0.32 0.32 -0.61 0.00 0.00 0.00 178.15 178.14 1y60 h GLN 143 N -0.03 0.60 0.12 2.37 5.75 -0.98 0.12 115.11 123.07 1y60 h GLN 143 Ca 0.03 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1y60 h GLN 143 Cb 0.53 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1y60 h GLN 143 CO 0.02 0.40 -0.06 0.00 -2.65 0.00 0.00 178.83 176.54 1y60 h ARG 144 N 0.62 -0.16 -0.51 1.69 -0.00 -0.95 -3.06 114.38 112.00 1y60 h ARG 144 Ca 0.24 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.80 1y60 h ARG 144 Cb 0.10 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 30.05 1y60 h ARG 144 CO -0.14 0.13 0.20 0.00 0.00 0.00 0.00 179.97 180.16 1y60 h ALA 145 N 0.39 0.64 0.00 0.04 0.00 -0.49 0.17 119.26 120.01 1y60 h ALA 145 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y60 h ALA 145 Cb 0.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y60 h ALA 145 CO 0.03 -0.19 -0.05 -0.24 0.00 0.00 0.00 179.25 178.80 1y60 h VAL 146 N 0.39 0.32 -0.51 0.00 3.04 -0.99 0.46 116.25 118.95 1y60 h VAL 146 Ca 0.25 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1y60 h VAL 146 Cb 0.25 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1y60 h VAL 146 CO -0.24 0.05 0.00 0.59 -1.01 0.00 0.00 177.57 176.96 1y60 n ASN 147 N -3.45 3.56 -2.18 3.17 3.02 -0.67 -4.91 115.26 113.80 1y60 n ASN 147 Ca -0.02 -1.98 -0.18 0.00 -0.03 0.00 0.00 54.58 52.37 1y60 n ASN 147 Cb 0.17 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1y60 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y60 n GLY 148 N 1.42 -0.38 3.80 7.41 0.00 0.15 -4.92 105.19 112.67 1y60 n GLY 148 Ca 0.20 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1y60 n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y60 s GLU 149 N -5.03 2.93 0.26 1.61 2.02 0.51 -3.61 118.70 117.39 1y60 s GLU 149 Ca 0.05 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 1y60 s GLU 149 Cb -0.02 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1y60 s GLU 149 CO 0.06 0.53 1.03 -1.25 0.02 0.00 0.00 175.26 175.66 1y60 s PRO 150 N -2.70 4.73 0.58 0.39 0.04 -1.26 -4.23 135.00 132.55 1y60 s PRO 150 Ca 0.30 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 1y60 s PRO 150 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1y60 s PRO 150 CO 0.23 0.34 1.27 0.15 0.04 0.00 0.00 177.00 179.03 1y60 s LYS 151 N -1.34 2.97 0.25 4.56 -0.14 -1.24 -4.79 119.74 120.01 1y60 s LYS 151 Ca 0.43 2.00 -0.03 0.00 -1.36 0.00 0.00 55.97 57.00 1y60 s LYS 151 Cb -0.29 -2.03 0.47 0.00 -1.68 0.00 0.00 37.83 34.29 1y60 s LYS 151 CO 0.37 -1.25 1.76 0.00 -0.76 0.00 0.00 175.35 175.47 1y60 h ALA 152 N 1.05 1.14 -0.47 5.17 0.00 -2.00 -0.33 119.26 123.83 1y60 h ALA 152 Ca -0.51 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1y60 h ALA 152 Cb 1.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1y60 h ALA 152 CO 0.56 -0.12 0.21 0.66 0.00 0.00 0.00 179.25 180.56 1y60 h SER 153 N 0.56 0.60 -0.20 0.00 4.64 -1.99 0.18 113.55 117.34 1y60 h SER 153 Ca 0.42 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.50 1y60 h SER 153 Cb 0.58 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1y60 h SER 153 CO -0.35 0.52 -0.57 0.58 -0.87 0.00 0.00 176.83 176.14 1y60 h VAL 154 N 0.66 1.28 -0.51 0.95 2.07 -1.46 -1.89 116.25 117.36 1y60 h VAL 154 Ca 0.16 -1.77 -0.13 0.00 0.82 0.00 0.00 66.70 65.78 1y60 h VAL 154 Cb 0.10 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1y60 h VAL 154 CO -0.02 0.57 -0.17 0.58 0.02 0.00 0.00 177.57 178.55 1y60 h VAL 155 N 0.61 1.27 -0.36 2.57 2.07 -0.57 -2.65 116.25 119.18 1y60 h VAL 155 Ca 0.01 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.21 1y60 h VAL 155 Cb 1.17 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1y60 h VAL 155 CO 0.12 0.47 0.19 0.74 0.02 0.00 0.00 177.57 179.11 1y60 h THR 156 N 0.88 1.01 -0.80 2.57 2.02 -0.91 -0.89 112.91 116.79 1y60 h THR 156 Ca 0.12 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1y60 h THR 156 Cb 0.75 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1y60 h THR 156 CO 0.06 0.07 0.53 -0.33 0.37 0.00 0.00 175.52 176.22 1y60 h GLU 157 N 0.39 0.99 -0.27 6.66 5.08 -1.20 -3.10 114.58 123.13 1y60 h GLU 157 Ca 0.15 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1y60 h GLU 157 Cb 0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1y60 h GLU 157 CO -0.09 0.65 -0.00 0.00 -1.00 0.00 0.00 179.01 178.57 1y60 n GLN 158 N -4.44 2.65 -0.04 2.33 10.64 -1.01 -4.64 117.38 122.86 1y60 n GLN 158 Ca 0.10 -2.89 -0.02 0.00 -1.83 0.00 0.00 57.00 52.35 1y60 n GLN 158 Cb 0.09 -1.83 0.23 0.00 -0.86 0.00 0.00 30.24 27.86 1y60 n GLN 158 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1y60 h ARG 159 N 1.57 0.63 0.00 2.61 0.11 -1.09 -2.94 114.38 115.27 1y60 h ARG 159 Ca 0.05 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1y60 h ARG 159 Cb 1.48 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1y60 h ARG 159 CO 0.25 0.67 0.00 -0.22 0.10 0.00 0.00 179.97 180.77 1y60 h LYS 160 N 0.59 0.00 -0.01 0.08 1.63 -1.83 -3.19 116.57 113.84 1y60 h LYS 160 Ca 0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1y60 h LYS 160 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1y60 h LYS 160 CO 0.02 0.00 -0.59 -1.13 -3.45 0.00 0.00 179.45 174.30 1y60 n SER 161 N -2.64 1.72 -4.80 4.20 3.41 -1.11 -4.97 113.62 109.42 1y60 n SER 161 Ca 0.03 -1.36 -0.34 0.00 -0.26 0.00 0.00 58.87 56.94 1y60 n SER 161 Cb 0.36 0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 64.87 1y60 n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y60 s ALA 162 N -2.53 2.94 -0.20 7.33 0.00 -1.20 -5.06 121.76 123.05 1y60 s ALA 162 Ca 0.15 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1y60 s ALA 162 Cb 0.17 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 20.11 1y60 s ALA 162 CO 0.62 -0.16 -0.09 0.99 0.00 0.00 0.00 175.76 177.12 1y60 s THR 163 N -2.02 1.57 -0.06 0.00 2.01 -1.26 -4.89 115.64 111.00 1y60 s THR 163 Ca 0.65 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 61.44 1y60 s THR 163 Cb -0.14 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1y60 s THR 163 CO 0.18 0.15 0.69 -2.28 -0.69 0.00 0.00 174.62 172.67 1y60 s HIS 164 N 1.42 3.59 0.49 4.92 5.04 -1.26 -4.98 115.29 124.52 1y60 s HIS 164 Ca -0.01 1.25 0.23 0.00 -1.54 0.00 0.00 55.06 54.99 1y60 s HIS 164 Cb -0.16 -2.79 1.42 0.00 0.04 0.00 0.00 32.58 31.09 1y60 s HIS 164 CO -0.08 0.12 2.12 -1.00 -2.34 0.00 0.00 174.74 173.56 1y60 h PRO 165 N 6.61 0.00 -0.01 2.88 0.13 -2.01 -2.89 132.00 136.70 1y60 h PRO 165 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1y60 h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1y60 h PRO 165 CO 0.75 0.08 -0.08 1.19 -0.23 0.00 0.00 178.00 179.70 1y60 n PHE 166 N -4.03 0.00 0.00 1.56 0.99 -1.26 -4.86 117.46 109.86 1y60 n PHE 166 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1y60 n PHE 166 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 1y60 n PHE 166 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y60 n ALA 167 N 0.23 2.86 -1.07 4.37 0.00 -1.20 -5.16 120.51 120.55 1y60 n ALA 167 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1y60 n ALA 167 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1y60 n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y60 n ALA 168 N -2.35 -2.29 0.00 0.00 0.00 -1.09 -5.03 120.51 109.74 1y60 n ALA 168 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1y60 n ALA 168 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1y60 n ALA 168 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79