#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm1 s ASP 1 N 0.00 5.62 0.63 6.12 1.01 -1.26 -4.36 116.67 124.43 1pm1 s ASP 1 Ca 0.00 2.88 -0.18 0.00 0.71 0.00 0.00 52.55 55.96 1pm1 s ASP 1 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1pm1 s ASP 1 CO 0.00 -1.34 1.25 0.00 0.21 0.00 0.00 175.17 175.28 1pm1 s SER 3 N -1.31 6.83 0.00 0.00 0.15 -1.26 -4.89 113.70 113.22 1pm1 s SER 3 Ca 0.80 2.43 0.27 0.00 0.70 0.00 0.00 55.95 60.15 1pm1 s SER 3 Cb -0.39 -2.61 0.82 0.00 -1.71 0.00 0.00 66.02 62.14 1pm1 s SER 3 CO 0.42 -0.59 1.61 0.35 1.20 0.00 0.00 173.24 176.23 1pm1 n THR 4 N 2.92 0.00 -1.44 6.45 -2.24 -1.26 -4.48 114.28 114.23 1pm1 n THR 4 Ca 0.08 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1pm1 n THR 4 Cb 0.42 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 1pm1 n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pm1 n ASN 5 N -0.44 6.34 -4.10 3.42 3.02 -1.26 -4.81 115.26 117.44 1pm1 n ASN 5 Ca 0.14 -3.13 -0.25 0.00 -0.03 0.00 0.00 54.58 51.31 1pm1 n ASN 5 Cb 0.35 -1.25 -0.16 0.00 -0.61 0.00 0.00 39.78 38.11 1pm1 n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pm1 s ILE 6 N -1.92 1.30 0.02 2.41 -1.09 -1.26 -5.13 121.20 115.52 1pm1 s ILE 6 Ca 0.60 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 1pm1 s ILE 6 Cb 0.38 -1.13 -0.02 0.00 -1.58 0.00 0.00 42.46 40.11 1pm1 s ILE 6 CO -0.20 0.38 -0.01 -0.44 -1.23 0.00 0.00 174.94 173.43 1pm1 s SER 7 N 0.15 0.20 0.44 3.58 0.01 -1.26 -5.13 113.70 111.69 1pm1 s SER 7 Ca -0.05 -0.42 -0.25 0.00 1.31 0.00 0.00 55.95 56.54 1pm1 s SER 7 Cb -0.12 0.10 -0.08 0.00 0.21 0.00 0.00 66.02 66.13 1pm1 s SER 7 CO 0.02 -0.27 1.34 -2.84 0.41 0.00 0.00 173.24 171.90 1pm1 s PRO 8 N -1.29 3.74 -0.12 12.44 0.02 -1.26 -4.98 135.00 143.55 1pm1 s PRO 8 Ca -0.14 2.22 -0.08 0.00 0.02 0.00 0.00 61.00 63.02 1pm1 s PRO 8 Cb -0.09 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1pm1 s PRO 8 CO -0.01 -0.70 0.17 0.15 -0.33 0.00 0.00 177.00 176.28 1pm1 s LYS 9 N -2.44 3.61 0.39 5.54 1.02 -1.26 -4.85 119.74 121.74 1pm1 s LYS 9 Ca 0.61 -0.08 -0.12 0.00 0.02 0.00 0.00 55.97 56.39 1pm1 s LYS 9 Cb -0.39 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.61 1pm1 s LYS 9 CO 0.50 0.69 0.78 -0.65 -0.92 0.00 0.00 175.35 175.75 1pm1 s GLN 10 N -0.81 3.86 0.00 1.68 -1.52 -1.26 -2.37 119.66 119.25 1pm1 s GLN 10 Ca 0.15 0.58 0.00 0.00 -1.95 0.00 0.00 55.36 54.14 1pm1 s GLN 10 Cb -0.12 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.29 1pm1 s GLN 10 CO 0.04 0.00 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 1pm1 n GLY 11 N -1.04 0.74 3.89 3.09 0.00 -1.26 -5.02 105.19 105.60 1pm1 n GLY 11 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1pm1 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm1 s LEU 12 N 0.00 3.76 -0.54 0.99 1.43 -1.26 -5.06 118.68 118.00 1pm1 s LEU 12 Ca 0.00 1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 1pm1 s LEU 12 Cb 0.00 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.36 1pm1 s LEU 12 CO 0.00 -0.46 0.80 -0.62 0.23 0.00 0.00 176.35 176.29 1pm1 s ASP 13 N -3.59 6.28 0.48 2.29 3.68 -1.26 -4.93 116.67 119.62 1pm1 s ASP 13 Ca 0.49 -0.65 0.23 0.00 2.13 0.00 0.00 52.55 54.75 1pm1 s ASP 13 Cb -0.10 -2.37 1.22 0.00 -1.45 0.00 0.00 42.92 40.22 1pm1 s ASP 13 CO 0.37 -1.09 2.00 0.07 0.13 0.00 0.00 175.17 176.65 1pm1 h LYS 14 N 9.18 0.00 0.00 4.34 2.10 -1.97 -1.49 116.57 128.73 1pm1 h LYS 14 Ca -0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1pm1 h LYS 14 Cb 1.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1pm1 h LYS 14 CO 1.04 0.18 -0.07 0.00 -2.00 0.00 0.00 179.45 178.60 1pm1 h ALA 15 N 1.82 1.88 0.00 0.07 0.00 -1.91 0.00 119.26 121.12 1pm1 h ALA 15 Ca -0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1pm1 h ALA 15 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pm1 h ALA 15 CO 0.02 0.09 -0.76 0.87 0.00 0.00 0.00 179.25 179.47 1pm1 h LYS 16 N 0.00 0.00 0.09 0.00 1.57 -1.60 -3.35 116.57 113.27 1pm1 h LYS 16 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1pm1 h LYS 16 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1pm1 h LYS 16 CO 0.01 0.76 -0.74 -0.92 -0.57 0.00 0.00 179.45 177.98 1pm1 h TYR 17 N 0.00 0.33 -1.22 -1.35 3.20 -1.34 -3.40 116.97 113.20 1pm1 h TYR 17 Ca -0.01 -0.24 -0.74 0.00 3.14 0.00 0.00 58.73 60.88 1pm1 h TYR 17 Cb 1.37 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 39.50 1pm1 h TYR 17 CO 0.00 1.29 2.15 1.19 -1.64 0.00 0.00 178.16 181.14 1pm1 n PHE 18 N -4.25 3.31 -3.66 -3.82 3.72 -0.09 -4.83 117.46 107.85 1pm1 n PHE 18 Ca -0.17 -2.88 -0.10 0.00 -0.05 0.00 0.00 57.45 54.25 1pm1 n PHE 18 Cb 0.73 -2.10 -0.08 0.00 -0.94 0.00 0.00 39.48 37.09 1pm1 n PHE 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pm1 s SER 19 N 1.57 -0.76 0.83 4.37 0.15 -1.25 -4.87 113.70 113.75 1pm1 s SER 19 Ca 0.42 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1pm1 s SER 19 Cb 0.09 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1pm1 s SER 19 CO -0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1pm1 n GLY 20 N 3.70 0.84 3.45 9.45 0.00 -1.26 -4.75 105.19 116.62 1pm1 n GLY 20 Ca -0.18 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1pm1 n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pm1 s LYS 21 N 0.00 1.61 0.03 1.61 -2.85 -1.26 -4.34 119.74 114.54 1pm1 s LYS 21 Ca 0.00 -1.70 0.08 0.00 -1.00 0.00 0.00 55.97 53.35 1pm1 s LYS 21 Cb 0.00 -1.72 -0.03 0.00 -2.06 0.00 0.00 37.83 34.02 1pm1 s LYS 21 CO 0.00 0.33 -0.22 -1.58 0.10 0.00 0.00 175.35 173.98 1pm1 s TRP 22 N -2.37 2.44 -0.06 1.78 0.52 0.29 -4.25 118.94 117.29 1pm1 s TRP 22 Ca 0.27 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.09 1pm1 s TRP 22 Cb -0.05 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1pm1 s TRP 22 CO 0.13 0.16 -0.17 0.71 0.02 0.00 0.00 176.95 177.80 1pm1 s TYR 23 N -0.82 2.64 -0.36 -1.98 2.02 0.32 -1.43 117.35 117.73 1pm1 s TYR 23 Ca 0.13 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 1pm1 s TYR 23 Cb -0.10 -1.64 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 1pm1 s TYR 23 CO 0.03 0.06 1.08 0.08 -1.57 0.00 0.00 175.55 175.23 1pm1 s VAL 24 N -0.51 4.44 -0.00 0.71 1.01 -0.44 -1.53 120.40 124.07 1pm1 s VAL 24 Ca 0.07 1.56 0.06 0.00 0.00 0.00 0.00 61.98 63.67 1pm1 s VAL 24 Cb -0.12 -4.46 -0.24 0.00 0.00 0.00 0.00 36.38 31.57 1pm1 s VAL 24 CO 0.01 -0.62 0.83 0.71 0.00 0.00 0.00 175.10 176.03 1pm1 h THR 25 N 5.87 1.10 -3.16 3.92 1.35 -1.22 -3.43 112.91 117.35 1pm1 h THR 25 Ca -0.21 -2.86 -0.17 0.00 -0.55 0.00 0.00 66.41 62.61 1pm1 h THR 25 Cb 1.06 2.61 -0.26 0.00 -1.73 0.00 0.00 68.15 69.82 1pm1 h THR 25 CO 1.05 0.71 -0.46 -1.00 -0.25 0.00 0.00 175.52 175.57 1pm1 s HIS 26 N -2.63 -0.26 0.04 4.73 3.76 -1.19 -1.20 115.29 118.55 1pm1 s HIS 26 Ca -0.06 0.63 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 1pm1 s HIS 26 Cb 0.08 0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.83 1pm1 s HIS 26 CO 0.83 -0.14 -0.08 -0.59 -0.85 0.00 0.00 174.74 173.91 1pm1 s PHE 27 N 0.30 0.68 -0.27 1.40 -0.12 -0.29 -0.87 117.98 118.80 1pm1 s PHE 27 Ca -0.01 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.41 1pm1 s PHE 27 Cb -0.03 -0.41 0.08 0.00 -0.63 0.00 0.00 43.02 42.03 1pm1 s PHE 27 CO -0.01 -0.07 0.02 -1.17 -0.05 0.00 0.00 175.22 173.94 1pm1 s LEU 28 N -1.44 2.79 -0.38 -1.99 2.96 0.21 -0.64 118.68 120.19 1pm1 s LEU 28 Ca -0.08 -1.48 -0.05 0.00 -0.22 0.00 0.00 54.13 52.30 1pm1 s LEU 28 Cb -0.09 -1.13 0.08 0.00 0.50 0.00 0.00 46.19 45.55 1pm1 s LEU 28 CO 0.00 -0.32 0.16 -0.62 -1.32 0.00 0.00 176.35 174.25 1pm1 s ASP 29 N 1.40 5.30 0.44 3.68 2.15 -1.26 -1.55 116.67 126.83 1pm1 s ASP 29 Ca 0.02 -1.58 0.30 0.00 0.43 0.00 0.00 52.55 51.72 1pm1 s ASP 29 Cb -0.18 -1.86 1.41 0.00 -0.30 0.00 0.00 42.92 41.99 1pm1 s ASP 29 CO -0.12 -0.45 1.91 0.11 -0.17 0.00 0.00 175.17 176.45 1pm1 h LYS 30 N 8.17 0.00 -6.19 4.34 1.57 -1.97 -3.44 116.57 119.05 1pm1 h LYS 30 Ca -0.19 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.02 1pm1 h LYS 30 Cb 1.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1pm1 h LYS 30 CO 0.67 0.00 1.32 -3.47 -0.57 0.00 0.00 179.45 177.40 1pm1 n ASP 31 N -2.67 3.63 -0.09 0.86 2.03 -1.26 -4.85 116.55 114.20 1pm1 n ASP 31 Ca 0.00 0.63 0.15 0.00 0.52 0.00 0.00 54.79 56.10 1pm1 n ASP 31 Cb 0.19 -1.50 0.83 0.00 -0.72 0.00 0.00 41.12 39.92 1pm1 n ASP 31 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1pm1 n PRO 32 N 7.90 1.02 0.06 -0.67 -0.04 -1.26 -3.32 135.00 138.68 1pm1 n PRO 32 Ca 0.25 -0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1pm1 n PRO 32 Cb 0.40 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.76 1pm1 n PRO 32 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pm1 n GLN 33 N -0.84 0.17 -2.79 0.54 7.27 -1.26 -4.87 117.38 115.60 1pm1 n GLN 33 Ca 0.21 0.11 -0.30 0.00 0.07 0.00 0.00 57.00 57.09 1pm1 n GLN 33 Cb 0.18 -1.67 -0.03 0.00 2.41 0.00 0.00 30.24 31.12 1pm1 n GLN 33 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1pm1 s VAL 34 N -3.08 4.76 -0.08 1.69 -7.23 -1.21 -4.97 120.40 110.28 1pm1 s VAL 34 Ca 0.11 0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 60.93 1pm1 s VAL 34 Cb 0.15 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1pm1 s VAL 34 CO 0.61 -0.55 -0.09 0.35 -0.31 0.00 0.00 175.10 175.11 1pm1 n THR 35 N -1.37 0.46 -2.22 5.32 -2.24 -1.26 -5.06 114.28 107.91 1pm1 n THR 35 Ca 0.03 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1pm1 n THR 35 Cb 0.54 -1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 1pm1 n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1pm1 s ASP 36 N -5.29 6.91 0.02 3.42 1.01 -1.26 -5.02 116.67 116.46 1pm1 s ASP 36 Ca -0.11 2.57 0.03 0.00 0.71 0.00 0.00 52.55 55.74 1pm1 s ASP 36 Cb 0.04 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1pm1 s ASP 36 CO 0.17 -0.42 -0.02 -1.10 0.21 0.00 0.00 175.17 174.00 1pm1 s GLN 37 N -1.70 2.64 0.16 8.23 -0.21 -1.26 -5.03 119.66 122.49 1pm1 s GLN 37 Ca 0.48 -0.71 0.10 0.00 0.02 0.00 0.00 55.36 55.25 1pm1 s GLN 37 Cb -0.38 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1pm1 s GLN 37 CO 0.50 0.60 -0.22 0.71 -2.12 0.00 0.00 175.29 174.76 1pm1 s TYR 38 N -1.11 2.04 0.13 0.91 1.51 -1.26 -0.89 117.35 118.69 1pm1 s TYR 38 Ca 0.20 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1pm1 s TYR 38 Cb -0.11 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1pm1 s TYR 38 CO 0.11 0.37 0.10 0.00 -1.11 0.00 0.00 175.55 175.03 1pm1 s SER 40 N -2.83 -0.30 0.01 0.00 0.15 -1.26 -0.68 113.70 108.79 1pm1 s SER 40 Ca 0.30 0.35 -0.07 0.00 0.70 0.00 0.00 55.95 57.22 1pm1 s SER 40 Cb -0.11 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1pm1 s SER 40 CO 0.22 -0.38 0.14 -0.55 1.20 0.00 0.00 173.24 173.87 1pm1 s SER 41 N -0.88 0.04 0.19 5.45 0.15 -0.94 -1.33 113.70 116.38 1pm1 s SER 41 Ca -0.10 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.12 1pm1 s SER 41 Cb -0.04 0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1pm1 s SER 41 CO 0.04 -0.39 0.57 0.72 1.20 0.00 0.00 173.24 175.38 1pm1 s PHE 42 N -1.50 -0.30 -0.26 3.44 -0.71 -0.51 -1.20 117.98 116.93 1pm1 s PHE 42 Ca -0.14 -0.00 -0.02 0.00 -1.04 0.00 0.00 56.93 55.72 1pm1 s PHE 42 Cb -0.07 0.49 0.09 0.00 -1.21 0.00 0.00 43.02 42.31 1pm1 s PHE 42 CO 0.01 -0.91 0.09 -0.08 -1.34 0.00 0.00 175.22 172.98 1pm1 s THR 43 N -3.82 0.49 -0.11 -4.49 -1.32 -0.37 -0.55 115.64 105.46 1pm1 s THR 43 Ca 0.06 -0.93 -0.10 0.00 -1.21 0.00 0.00 61.69 59.50 1pm1 s THR 43 Cb -0.01 -1.26 -0.05 0.00 -1.51 0.00 0.00 72.50 69.67 1pm1 s THR 43 CO -0.06 -0.53 0.22 -2.16 -2.21 0.00 0.00 174.62 169.88 1pm1 s PRO 44 N 1.83 3.78 0.13 7.08 0.04 -1.26 -2.46 135.00 144.14 1pm1 s PRO 44 Ca 0.06 0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.16 1pm1 s PRO 44 Cb -0.17 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1pm1 s PRO 44 CO -0.22 0.61 -0.11 1.03 0.04 0.00 0.00 177.00 178.34 1pm1 s ARG 45 N -0.61 1.02 -0.05 4.56 3.00 -0.18 -3.79 118.95 122.90 1pm1 s ARG 45 Ca 0.16 -1.34 -0.03 0.00 0.00 0.00 0.00 55.73 54.53 1pm1 s ARG 45 Cb -0.13 -0.71 0.03 0.00 0.00 0.00 0.00 34.95 34.14 1pm1 s ARG 45 CO 0.05 0.11 0.12 -2.00 0.00 0.00 0.00 175.30 173.58 1pm1 s GLU 46 N -3.24 0.08 -0.09 3.54 -6.30 -1.26 -1.29 118.70 110.15 1pm1 s GLU 46 Ca 0.12 0.28 -0.03 0.00 -2.50 0.00 0.00 54.97 52.84 1pm1 s GLU 46 Cb -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 34.13 34.04 1pm1 s GLU 46 CO 0.02 -0.12 0.07 0.45 0.02 0.00 0.00 175.26 175.69 1pm1 s SER 47 N 0.82 1.56 -1.48 -1.70 0.15 0.24 -4.90 113.70 108.40 1pm1 s SER 47 Ca -0.06 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 1pm1 s SER 47 Cb -0.09 -0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.11 1pm1 s SER 47 CO -0.04 -0.28 1.00 -0.67 1.20 0.00 0.00 173.24 174.45 1pm1 n ASP 48 N 5.29 -4.75 0.00 5.45 2.03 -1.26 -1.22 116.55 122.10 1pm1 n ASP 48 Ca -0.04 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1pm1 n ASP 48 Cb 0.50 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 1pm1 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pm1 n GLY 49 N -1.74 1.45 3.68 0.27 0.00 -1.26 -5.03 105.19 102.56 1pm1 n GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1pm1 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pm1 s THR 50 N -2.85 5.08 -0.15 2.61 2.01 -0.36 -1.17 115.64 120.81 1pm1 s THR 50 Ca 0.00 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1pm1 s THR 50 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1pm1 s THR 50 CO 0.00 0.45 0.21 -0.69 -0.69 0.00 0.00 174.62 173.90 1pm1 s VAL 51 N 0.34 5.37 -0.00 3.82 1.01 0.64 -0.59 120.40 130.98 1pm1 s VAL 51 Ca 0.05 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1pm1 s VAL 51 Cb -0.12 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1pm1 s VAL 51 CO -0.01 0.49 -0.02 -0.75 0.00 0.00 0.00 175.10 174.81 1pm1 s LYS 52 N -0.11 0.14 -0.04 2.72 2.20 -0.41 -1.27 119.74 122.97 1pm1 s LYS 52 Ca 0.14 -0.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 1pm1 s LYS 52 Cb -0.12 -0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1pm1 s LYS 52 CO 0.03 0.04 0.26 -1.83 -0.36 0.00 0.00 175.35 173.48 1pm1 s GLU 53 N -0.05 0.50 -0.19 4.03 -1.05 0.07 -1.01 118.70 120.99 1pm1 s GLU 53 Ca 0.01 -0.03 -0.08 0.00 -0.15 0.00 0.00 54.97 54.72 1pm1 s GLU 53 Cb -0.01 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 1pm1 s GLU 53 CO -0.00 -0.11 0.09 0.00 0.95 0.00 0.00 175.26 176.19 1pm1 s ALA 54 N -0.79 3.54 0.03 -0.84 0.00 -1.03 -0.87 121.76 121.79 1pm1 s ALA 54 Ca -0.09 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1pm1 s ALA 54 Cb -0.05 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1pm1 s ALA 54 CO 0.02 0.20 -0.16 -1.17 0.00 0.00 0.00 175.76 174.65 1pm1 s LEU 55 N 0.29 2.13 -0.02 0.00 2.96 -0.03 -1.24 118.68 122.78 1pm1 s LEU 55 Ca 0.06 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1pm1 s LEU 55 Cb -0.12 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1pm1 s LEU 55 CO -0.01 0.10 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.61 1pm1 s TYR 56 N -0.71 0.47 0.00 5.38 5.04 -0.34 -0.94 117.35 126.25 1pm1 s TYR 56 Ca 0.04 -0.09 0.07 0.00 -2.44 0.00 0.00 57.07 54.65 1pm1 s TYR 56 Cb -0.07 -0.38 -0.02 0.00 0.35 0.00 0.00 41.96 41.83 1pm1 s TYR 56 CO 0.01 -0.07 -0.22 -1.01 -1.34 0.00 0.00 175.55 172.92 1pm1 s HIS 57 N 0.33 1.97 -0.13 4.97 3.76 -0.50 -2.21 115.29 123.48 1pm1 s HIS 57 Ca -0.04 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1pm1 s HIS 57 Cb -0.07 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.40 1pm1 s HIS 57 CO -0.00 0.01 -0.12 -0.47 -0.85 0.00 0.00 174.74 173.30 1pm1 s TYR 58 N -0.60 1.95 -0.52 1.40 5.04 0.14 -1.57 117.35 123.19 1pm1 s TYR 58 Ca 0.09 -1.05 -0.26 0.00 -2.44 0.00 0.00 57.07 53.40 1pm1 s TYR 58 Cb -0.09 -1.47 0.03 0.00 0.35 0.00 0.00 41.96 40.78 1pm1 s TYR 58 CO -0.00 -0.61 1.03 1.21 -1.34 0.00 0.00 175.55 175.84 1pm1 s ASN 59 N 1.49 6.45 0.46 4.32 3.84 0.39 -1.01 114.94 130.89 1pm1 s ASN 59 Ca 0.04 0.02 0.26 0.00 0.21 0.00 0.00 52.86 53.38 1pm1 s ASN 59 Cb -0.13 -2.49 0.96 0.00 -0.55 0.00 0.00 41.25 39.05 1pm1 s ASN 59 CO -0.09 -1.24 1.84 0.00 -2.79 0.00 0.00 177.10 174.82 1pm1 h ALA 60 N 9.29 1.00 0.14 1.71 0.00 -1.30 0.14 119.26 130.23 1pm1 h ALA 60 Ca -0.25 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 1pm1 h ALA 60 Cb 1.07 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1pm1 h ALA 60 CO 1.10 0.21 -0.90 -0.91 0.00 0.00 0.00 179.25 178.75 1pm1 h ASN 61 N 0.00 0.45 0.93 0.00 4.21 -1.91 -3.34 115.58 115.92 1pm1 h ASN 61 Ca -0.00 -0.94 0.00 0.00 1.21 0.00 0.00 56.30 56.57 1pm1 h ASN 61 Cb 0.73 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1pm1 h ASN 61 CO 0.02 1.42 -0.57 0.29 -1.29 0.00 0.00 177.43 177.31 1pm1 n LYS 62 N -4.10 0.30 -3.70 0.81 5.02 -1.17 -4.97 118.16 110.34 1pm1 n LYS 62 Ca -0.16 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 1pm1 n LYS 62 Cb 0.83 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 34.20 1pm1 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pm1 n LYS 63 N -2.14 -6.96 -4.48 1.97 5.02 0.47 -5.01 118.16 107.03 1pm1 n LYS 63 Ca 0.03 0.74 -0.23 0.00 -2.02 0.00 0.00 58.31 56.84 1pm1 n LYS 63 Cb 0.44 -5.72 -0.11 0.00 -0.02 0.00 0.00 35.03 29.62 1pm1 n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pm1 s THR 64 N -3.33 1.70 0.07 -0.18 -4.23 -1.18 -4.98 115.64 103.52 1pm1 s THR 64 Ca 0.56 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1pm1 s THR 64 Cb -0.26 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1pm1 s THR 64 CO 0.77 -0.18 0.10 -0.94 -0.54 0.00 0.00 174.62 173.82 1pm1 s SER 65 N -3.52 0.27 0.04 3.99 1.04 -1.26 -0.46 113.70 113.79 1pm1 s SER 65 Ca 0.32 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 1pm1 s SER 65 Cb 0.05 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1pm1 s SER 65 CO 0.14 -0.67 0.25 0.72 0.98 0.00 0.00 173.24 174.67 1pm1 s PHE 66 N -3.85 -0.04 0.02 5.02 -0.12 -0.61 -5.01 117.98 113.39 1pm1 s PHE 66 Ca 0.05 -0.11 0.07 0.00 -0.05 0.00 0.00 56.93 56.89 1pm1 s PHE 66 Cb 0.06 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1pm1 s PHE 66 CO -0.10 -0.45 -0.20 0.71 -0.05 0.00 0.00 175.22 175.12 1pm1 s TYR 67 N -2.40 1.74 0.05 3.49 1.51 -1.26 -1.41 117.35 119.08 1pm1 s TYR 67 Ca -0.06 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1pm1 s TYR 67 Cb -0.02 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1pm1 s TYR 67 CO -0.03 0.04 -0.03 -0.80 -1.11 0.00 0.00 175.55 173.63 1pm1 s ASN 68 N -0.92 0.50 -0.12 2.29 -0.87 -0.12 -1.79 114.94 113.92 1pm1 s ASN 68 Ca 0.07 -1.00 0.02 0.00 -1.57 0.00 0.00 52.86 50.38 1pm1 s ASN 68 Cb -0.08 0.20 0.01 0.00 -0.02 0.00 0.00 41.25 41.36 1pm1 s ASN 68 CO 0.01 -0.60 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.15 1pm1 s ILE 69 N -3.91 1.60 0.10 0.60 -1.09 -0.77 -0.85 121.20 116.88 1pm1 s ILE 69 Ca 0.07 -0.70 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 1pm1 s ILE 69 Cb 0.08 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 1pm1 s ILE 69 CO -0.10 0.46 0.00 -0.83 -1.23 0.00 0.00 174.94 173.24 1pm1 s GLY 70 N 0.99 1.89 -0.15 6.18 0.00 -0.05 -1.19 107.32 114.98 1pm1 s GLY 70 Ca -0.06 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.40 1pm1 s GLY 70 CO -0.02 -1.14 0.38 1.85 0.00 0.00 0.00 173.10 174.18 1pm1 s GLU 71 N -2.40 0.40 0.13 2.90 2.12 -0.25 -0.75 118.70 120.84 1pm1 s GLU 71 Ca 0.26 0.66 -0.10 0.00 0.36 0.00 0.00 54.97 56.14 1pm1 s GLU 71 Cb -0.11 0.07 0.04 0.00 0.26 0.00 0.00 34.13 34.38 1pm1 s GLU 71 CO 0.18 -0.11 0.50 0.41 -0.54 0.00 0.00 175.26 175.70 1pm1 n GLY 72 N 3.67 1.09 3.81 -1.50 0.00 -0.39 -1.45 105.19 110.41 1pm1 n GLY 72 Ca -0.19 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 1pm1 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pm1 s LYS 73 N -2.03 4.00 0.01 1.61 1.02 -1.26 -0.26 119.74 122.83 1pm1 s LYS 73 Ca 0.11 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.15 1pm1 s LYS 73 Cb -0.02 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.95 1pm1 s LYS 73 CO 0.04 0.56 1.51 -1.17 -0.92 0.00 0.00 175.35 175.37 1pm1 s LEU 74 N -0.63 4.33 0.49 3.17 2.96 -0.32 -4.14 118.68 124.54 1pm1 s LEU 74 Ca 0.23 2.24 -0.23 0.00 -0.22 0.00 0.00 54.13 56.15 1pm1 s LEU 74 Cb -0.16 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1pm1 s LEU 74 CO 0.11 -0.80 1.28 -1.61 -1.32 0.00 0.00 176.35 174.01 1pm1 s GLU 75 N 2.73 3.51 0.43 1.98 0.41 -0.27 -4.93 118.70 122.56 1pm1 s GLU 75 Ca 0.68 2.06 0.23 0.00 -0.41 0.00 0.00 54.97 57.53 1pm1 s GLU 75 Cb -0.34 -2.40 0.32 0.00 -1.78 0.00 0.00 34.13 29.93 1pm1 s GLU 75 CO 0.28 -0.84 1.59 0.66 -0.49 0.00 0.00 175.26 176.47 1pm1 h SER 76 N 1.89 0.00 0.80 -0.19 4.64 -1.94 -3.32 113.55 115.43 1pm1 h SER 76 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1pm1 h SER 76 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1pm1 h SER 76 CO 0.59 0.02 -0.48 -1.54 -0.87 0.00 0.00 176.83 174.55 1pm1 n SER 77 N -3.09 0.57 0.00 4.97 3.41 -1.26 -5.00 113.62 113.22 1pm1 n SER 77 Ca 0.04 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1pm1 n SER 77 Cb 0.54 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1pm1 n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pm1 n GLY 78 N 1.40 -1.87 3.50 5.00 0.00 -1.25 -4.39 105.19 107.59 1pm1 n GLY 78 Ca 0.04 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1pm1 n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pm1 s LEU 79 N 0.00 4.59 -0.04 0.99 1.98 -1.00 -4.22 118.68 120.98 1pm1 s LEU 79 Ca 0.00 -2.35 -0.19 0.00 -2.89 0.00 0.00 54.13 48.69 1pm1 s LEU 79 Cb 0.00 -2.46 0.04 0.00 0.66 0.00 0.00 46.19 44.43 1pm1 s LEU 79 CO 0.00 -1.04 0.43 -1.58 -1.89 0.00 0.00 176.35 172.27 1pm1 s GLN 80 N 2.93 0.76 -0.06 1.98 0.74 -1.26 -1.24 119.66 123.52 1pm1 s GLN 80 Ca 0.42 0.02 -0.19 0.00 0.05 0.00 0.00 55.36 55.66 1pm1 s GLN 80 Cb -0.02 0.35 0.04 0.00 1.10 0.00 0.00 33.01 34.48 1pm1 s GLN 80 CO -0.03 -0.21 0.44 1.52 -0.55 0.00 0.00 175.29 176.46 1pm1 s TYR 81 N -1.12 -0.38 -0.26 1.67 -0.85 -0.62 -1.12 117.35 114.67 1pm1 s TYR 81 Ca -0.11 0.71 -0.03 0.00 -0.52 0.00 0.00 57.07 57.11 1pm1 s TYR 81 Cb -0.04 0.19 0.02 0.00 0.38 0.00 0.00 41.96 42.52 1pm1 s TYR 81 CO 0.05 -0.41 -0.01 0.99 -1.52 0.00 0.00 175.55 174.65 1pm1 s THR 82 N -0.93 3.25 0.06 -3.49 2.01 -1.26 -1.03 115.64 114.26 1pm1 s THR 82 Ca -0.10 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1pm1 s THR 82 Cb -0.03 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1pm1 s THR 82 CO 0.05 0.18 -0.11 0.00 -0.69 0.00 0.00 174.62 174.05 1pm1 s ALA 83 N 1.39 2.89 0.24 7.40 0.00 0.32 -4.11 121.76 129.89 1pm1 s ALA 83 Ca 0.01 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 1pm1 s ALA 83 Cb -0.17 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 1pm1 s ALA 83 CO -0.02 0.62 0.52 0.15 0.00 0.00 0.00 175.76 177.03 1pm1 s LYS 84 N -1.83 3.69 -0.03 0.00 -0.14 -0.53 -1.14 119.74 119.77 1pm1 s LYS 84 Ca 0.19 0.09 0.01 0.00 -1.36 0.00 0.00 55.97 54.90 1pm1 s LYS 84 Cb -0.11 -2.68 0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1pm1 s LYS 84 CO 0.10 0.30 -0.04 1.52 -0.76 0.00 0.00 175.35 176.47 1pm1 s TYR 85 N -1.91 0.60 0.27 3.18 1.13 -1.26 -1.09 117.35 118.27 1pm1 s TYR 85 Ca 0.45 -0.13 0.06 0.00 -1.41 0.00 0.00 57.07 56.04 1pm1 s TYR 85 Cb -0.11 -0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.21 1pm1 s TYR 85 CO 0.26 -0.11 0.29 -1.59 -2.51 0.00 0.00 175.55 171.88 1pm1 s LYS 86 N 0.55 3.09 -0.15 -3.49 -2.85 -0.34 -3.87 119.74 112.68 1pm1 s LYS 86 Ca -0.07 -0.98 -0.08 0.00 -1.00 0.00 0.00 55.97 53.84 1pm1 s LYS 86 Cb -0.10 -2.68 -0.04 0.00 -2.06 0.00 0.00 37.83 32.94 1pm1 s LYS 86 CO -0.00 0.34 0.12 0.95 0.10 0.00 0.00 175.35 176.86 1pm1 s THR 87 N -2.11 5.30 0.21 3.79 -4.23 -0.42 -1.84 115.64 116.34 1pm1 s THR 87 Ca 0.35 0.14 0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1pm1 s THR 87 Cb -0.08 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 1pm1 s THR 87 CO 0.27 0.54 -0.02 0.68 -0.54 0.00 0.00 174.62 175.55 1pm1 s VAL 88 N -0.35 1.03 0.62 2.29 -7.23 -0.74 -0.52 120.40 115.49 1pm1 s VAL 88 Ca 0.11 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1pm1 s VAL 88 Cb -0.12 -2.25 0.13 0.00 0.56 0.00 0.00 36.38 34.70 1pm1 s VAL 88 CO 0.01 -0.40 0.84 -0.90 -0.31 0.00 0.00 175.10 174.35 1pm1 n ASP 89 N -0.37 0.84 0.17 4.85 5.68 -0.40 -4.02 116.55 123.29 1pm1 n ASP 89 Ca -0.06 -1.78 0.13 0.00 -0.50 0.00 0.00 54.79 52.59 1pm1 n ASP 89 Cb 0.63 -0.57 0.58 0.00 -1.14 0.00 0.00 41.12 40.62 1pm1 n ASP 89 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pm1 h LYS 90 N 0.00 0.00 -0.33 0.11 2.10 -1.97 0.52 116.57 117.00 1pm1 h LYS 90 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1pm1 h LYS 90 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1pm1 h LYS 90 CO 0.27 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.35 1pm1 n LYS 91 N -2.42 2.12 -1.10 0.07 4.76 -1.26 -4.74 118.16 115.59 1pm1 n LYS 91 Ca 0.01 -1.70 -0.03 0.00 -2.87 0.00 0.00 58.31 53.72 1pm1 n LYS 91 Cb 0.19 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 1pm1 n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pm1 n LYS 92 N 0.90 -0.75 -2.61 1.97 5.02 0.17 -5.01 118.16 117.86 1pm1 n LYS 92 Ca 0.17 0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 56.52 1pm1 n LYS 92 Cb 0.45 -4.16 -0.05 0.00 -0.02 0.00 0.00 35.03 31.25 1pm1 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pm1 s ALA 93 N -1.87 3.27 -0.04 7.82 0.00 -1.26 -4.76 121.76 124.91 1pm1 s ALA 93 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1pm1 s ALA 93 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1pm1 s ALA 93 CO 0.00 -0.03 1.10 0.08 0.00 0.00 0.00 175.76 176.91 1pm1 s VAL 94 N -1.39 4.50 -0.22 0.00 1.01 -1.26 -1.27 120.40 121.76 1pm1 s VAL 94 Ca 0.48 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 64.23 1pm1 s VAL 94 Cb -0.25 -4.15 -0.19 0.00 0.00 0.00 0.00 36.38 31.78 1pm1 s VAL 94 CO 0.32 0.05 -0.06 0.18 0.00 0.00 0.00 175.10 175.59 1pm1 n LEU 95 N 4.70 2.72 -3.75 3.92 4.77 0.32 -4.93 117.00 124.75 1pm1 n LEU 95 Ca 0.09 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1pm1 n LEU 95 Cb 0.48 -0.96 -0.14 0.00 -2.33 0.00 0.00 43.42 40.46 1pm1 n LEU 95 CO 0.54 0.84 -0.23 -0.75 -1.33 0.00 0.00 177.39 176.46 1pm1 s LYS 96 N -2.52 0.09 0.91 3.23 2.20 -1.02 -5.00 119.74 117.63 1pm1 s LYS 96 Ca -0.32 0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.55 1pm1 s LYS 96 Cb 0.09 -0.18 0.14 0.00 -1.51 0.00 0.00 37.83 36.36 1pm1 s LYS 96 CO 0.63 -0.17 1.09 -1.21 -0.36 0.00 0.00 175.35 175.33 1pm1 s GLU 97 N 1.20 1.11 0.37 4.03 0.41 -1.26 -1.30 118.70 123.26 1pm1 s GLU 97 Ca -0.09 0.95 -0.28 0.00 -0.41 0.00 0.00 54.97 55.14 1pm1 s GLU 97 Cb -0.12 -1.78 -0.11 0.00 -1.78 0.00 0.00 34.13 30.34 1pm1 s GLU 97 CO -0.06 -2.38 1.42 0.00 -0.49 0.00 0.00 175.26 173.75 1pm1 n ALA 98 N -3.99 2.01 -2.61 5.21 0.00 -1.25 -4.67 120.51 115.20 1pm1 n ALA 98 Ca 0.07 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1pm1 n ALA 98 Cb 0.54 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 1pm1 n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pm1 s ASP 99 N -0.22 6.69 0.46 0.00 -1.08 -1.26 -4.93 116.67 116.33 1pm1 s ASP 99 Ca 0.55 0.61 0.31 0.00 -0.52 0.00 0.00 52.55 53.50 1pm1 s ASP 99 Cb -0.50 -2.47 1.57 0.00 -1.46 0.00 0.00 42.92 40.07 1pm1 s ASP 99 CO 0.63 -0.85 1.95 -0.33 0.52 0.00 0.00 175.17 177.09 1pm1 h GLU 100 N 8.44 0.00 0.00 4.34 4.39 -1.96 -0.58 114.58 129.21 1pm1 h GLU 100 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1pm1 h GLU 100 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1pm1 h GLU 100 CO 0.98 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 180.46 1pm1 n LYS 101 N -2.66 0.09 -4.17 2.33 5.02 -1.26 -4.89 118.16 112.63 1pm1 n LYS 101 Ca -0.01 0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 1pm1 n LYS 101 Cb 0.13 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 1pm1 n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1pm1 s ASN 102 N -3.56 5.13 0.20 4.39 0.02 -0.23 -1.13 114.94 119.77 1pm1 s ASN 102 Ca 0.12 -0.09 -0.23 0.00 -1.02 0.00 0.00 52.86 51.63 1pm1 s ASN 102 Cb 0.15 -1.29 0.05 0.00 0.02 0.00 0.00 41.25 40.19 1pm1 s ASN 102 CO 0.51 0.21 0.72 -0.94 0.02 0.00 0.00 177.10 177.62 1pm1 s SER 103 N -2.06 -0.37 0.03 -1.22 1.04 -0.35 -4.64 113.70 106.14 1pm1 s SER 103 Ca 0.24 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1pm1 s SER 103 Cb -0.12 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1pm1 s SER 103 CO 0.16 -1.10 -0.10 -0.72 0.98 0.00 0.00 173.24 172.46 1pm1 s TYR 104 N -3.72 0.86 -0.25 5.02 1.13 -0.30 -0.62 117.35 119.47 1pm1 s TYR 104 Ca 0.07 -0.32 -0.06 0.00 -1.41 0.00 0.00 57.07 55.35 1pm1 s TYR 104 Cb -0.03 -0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 40.29 1pm1 s TYR 104 CO -0.02 -0.01 0.04 0.99 -2.51 0.00 0.00 175.55 174.04 1pm1 s THR 105 N -0.78 3.99 -0.20 -3.49 2.01 -0.11 -0.52 115.64 116.53 1pm1 s THR 105 Ca -0.01 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1pm1 s THR 105 Cb -0.07 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1pm1 s THR 105 CO 0.01 0.30 0.02 -0.22 -0.69 0.00 0.00 174.62 174.04 1pm1 s LEU 106 N 1.56 3.38 -0.19 4.42 0.20 -0.20 -1.39 118.68 126.46 1pm1 s LEU 106 Ca 0.05 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.73 1pm1 s LEU 106 Cb -0.15 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 43.76 1pm1 s LEU 106 CO 0.02 0.07 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.08 1pm1 s THR 107 N 0.95 2.22 -0.17 3.68 2.01 -0.03 -1.59 115.64 122.71 1pm1 s THR 107 Ca 0.02 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1pm1 s THR 107 Cb -0.14 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1pm1 s THR 107 CO 0.02 0.51 0.85 -0.69 -0.69 0.00 0.00 174.62 174.62 1pm1 s VAL 108 N 1.31 4.86 -0.13 3.82 1.01 -0.37 -1.02 120.40 129.88 1pm1 s VAL 108 Ca 0.05 1.68 0.19 0.00 0.00 0.00 0.00 61.98 63.90 1pm1 s VAL 108 Cb -0.13 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 31.82 1pm1 s VAL 108 CO -0.12 0.02 0.30 0.18 0.00 0.00 0.00 175.10 175.48 1pm1 n LEU 109 N 5.27 0.11 -3.55 3.92 4.77 0.56 -4.48 117.00 123.61 1pm1 n LEU 109 Ca 0.05 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 1pm1 n LEU 109 Cb 0.49 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1pm1 n LEU 109 CO 0.49 0.29 0.54 -0.70 -1.33 0.00 0.00 177.39 176.67 1pm1 s GLU 110 N -2.89 0.91 -0.22 3.23 2.56 -1.12 -4.95 118.70 116.21 1pm1 s GLU 110 Ca -0.08 0.28 -0.15 0.00 0.00 0.00 0.00 54.97 55.02 1pm1 s GLU 110 Cb 0.09 0.43 0.06 0.00 2.00 0.00 0.00 34.13 36.71 1pm1 s GLU 110 CO 0.85 -0.27 0.56 0.00 -0.56 0.00 0.00 175.26 175.84 1pm1 s ALA 111 N -1.03 -1.45 0.00 6.30 0.00 -1.26 -1.22 121.76 123.10 1pm1 s ALA 111 Ca -0.07 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1pm1 s ALA 111 Cb -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1pm1 s ALA 111 CO 0.07 -0.31 0.00 -0.40 0.00 0.00 0.00 175.76 175.12 1pm1 n ASP 112 N 3.79 0.22 0.28 0.00 5.68 -0.11 -4.74 116.55 121.66 1pm1 n ASP 112 Ca -0.19 -0.72 0.18 0.00 -0.50 0.00 0.00 54.79 53.55 1pm1 n ASP 112 Cb 0.57 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.31 1pm1 n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1pm1 h ASP 113 N 0.00 0.00 0.00 -1.12 3.32 -2.00 -3.29 116.42 113.33 1pm1 h ASP 113 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1pm1 h ASP 113 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pm1 h ASP 113 CO 0.00 0.00 -1.34 -1.54 -1.72 0.00 0.00 179.24 174.64 1pm1 n SER 114 N -3.02 3.36 -3.88 6.45 3.41 -1.26 -4.93 113.62 113.74 1pm1 n SER 114 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1pm1 n SER 114 Cb 0.26 1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 65.38 1pm1 n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pm1 s SER 115 N -2.96 0.01 0.20 4.04 0.01 -1.24 -2.40 113.70 111.37 1pm1 s SER 115 Ca -0.03 -0.73 -0.18 0.00 1.31 0.00 0.00 55.95 56.33 1pm1 s SER 115 Cb 0.04 0.42 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1pm1 s SER 115 CO 0.29 -0.86 0.54 0.00 0.41 0.00 0.00 173.24 173.63 1pm1 s ALA 116 N -3.91 -0.97 -0.08 1.44 0.00 -0.17 -0.94 121.76 117.13 1pm1 s ALA 116 Ca 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1pm1 s ALA 116 Cb 0.03 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1pm1 s ALA 116 CO -0.04 -0.83 -0.11 -1.17 0.00 0.00 0.00 175.76 173.61 1pm1 s LEU 117 N -2.88 1.52 0.09 0.00 2.96 -0.35 -0.45 118.68 119.57 1pm1 s LEU 117 Ca 0.09 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1pm1 s LEU 117 Cb -0.01 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1pm1 s LEU 117 CO -0.02 -0.01 -0.08 0.68 -1.32 0.00 0.00 176.35 175.60 1pm1 s VAL 118 N 0.94 0.74 -0.09 1.68 -7.23 -0.70 -0.32 120.40 115.42 1pm1 s VAL 118 Ca -0.09 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1pm1 s VAL 118 Cb -0.15 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 1pm1 s VAL 118 CO 0.00 -0.70 -0.17 -2.28 -0.31 0.00 0.00 175.10 171.65 1pm1 s HIS 119 N -2.88 2.67 -0.09 2.82 2.46 -0.19 -0.78 115.29 119.30 1pm1 s HIS 119 Ca 0.06 -0.55 0.02 0.00 0.47 0.00 0.00 55.06 55.06 1pm1 s HIS 119 Cb 0.00 -1.71 0.01 0.00 -0.13 0.00 0.00 32.58 30.75 1pm1 s HIS 119 CO -0.02 -0.11 -0.16 0.42 -2.47 0.00 0.00 174.74 172.40 1pm1 s ILE 120 N -0.09 1.47 -0.18 0.89 1.09 -0.37 -0.85 121.20 123.17 1pm1 s ILE 120 Ca -0.03 -0.65 -0.01 0.00 -1.10 0.00 0.00 60.65 58.86 1pm1 s ILE 120 Cb -0.14 -1.33 0.00 0.00 -1.06 0.00 0.00 42.46 39.93 1pm1 s ILE 120 CO 0.04 0.43 -0.13 0.00 -0.10 0.00 0.00 174.94 175.18 1pm1 s VAL 122 N 1.18 5.21 -0.10 0.00 1.01 -0.63 -0.94 120.40 126.14 1pm1 s VAL 122 Ca 0.02 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1pm1 s VAL 122 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1pm1 s VAL 122 CO -0.05 0.45 -0.22 -0.13 0.00 0.00 0.00 175.10 175.14 1pm1 s ARG 123 N 0.34 2.86 -0.61 2.72 0.52 0.21 -0.72 118.95 124.27 1pm1 s ARG 123 Ca 0.06 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1pm1 s ARG 123 Cb -0.11 -2.20 0.16 0.00 0.52 0.00 0.00 34.95 33.31 1pm1 s ARG 123 CO -0.01 0.13 0.45 -1.21 0.02 0.00 0.00 175.30 174.67 1pm1 s GLU 124 N 0.46 2.64 6.11 3.54 2.02 0.86 -1.21 118.70 133.12 1pm1 s GLU 124 Ca -0.16 -2.34 0.00 0.00 0.02 0.00 0.00 54.97 52.48 1pm1 s GLU 124 Cb -0.17 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.22 1pm1 s GLU 124 CO 0.07 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1pm1 n GLY 125 N 3.87 3.63 0.14 -1.39 0.00 -0.28 -1.65 105.19 109.50 1pm1 n GLY 125 Ca 0.05 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1pm1 n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pm1 n SER 126 N 5.78 0.47 -4.70 1.61 7.64 -1.26 -4.76 113.62 118.39 1pm1 n SER 126 Ca 0.00 -0.87 -0.36 0.00 1.01 0.00 0.00 58.87 58.65 1pm1 n SER 126 Cb 0.00 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 1pm1 n SER 126 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1pm1 s LYS 127 N -2.23 4.18 -0.26 1.43 2.20 -0.66 -5.06 119.74 119.36 1pm1 s LYS 127 Ca 0.37 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 1pm1 s LYS 127 Cb 0.21 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1pm1 s LYS 127 CO 0.41 0.15 1.08 -0.51 -0.36 0.00 0.00 175.35 176.13 1pm1 s ASP 128 N 0.70 7.01 0.17 1.43 1.11 -1.26 -0.10 116.67 125.74 1pm1 s ASP 128 Ca 0.13 1.29 -0.13 0.00 0.18 0.00 0.00 52.55 54.02 1pm1 s ASP 128 Cb -0.13 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.38 1pm1 s ASP 128 CO 0.04 -0.77 1.75 0.25 1.18 0.00 0.00 175.17 177.62 1pm1 h LEU 129 N 9.75 0.73 0.00 1.23 5.85 -1.27 -3.42 115.31 128.19 1pm1 h LEU 129 Ca -0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1pm1 h LEU 129 Cb 1.07 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1pm1 h LEU 129 CO 1.00 0.65 0.00 0.61 -0.34 0.00 0.00 178.44 180.36 1pm1 n GLY 130 N -0.94 1.98 3.45 3.75 0.00 -1.16 -4.42 105.19 107.85 1pm1 n GLY 130 Ca 0.03 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 1pm1 n GLY 130 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pm1 s ASP 131 N 0.00 3.51 -0.08 1.61 -4.77 -1.26 -1.60 116.67 114.09 1pm1 s ASP 131 Ca 0.00 -0.94 -0.06 0.00 -3.30 0.00 0.00 52.55 48.26 1pm1 s ASP 131 Cb 0.00 -0.28 0.03 0.00 -1.09 0.00 0.00 42.92 41.58 1pm1 s ASP 131 CO 0.00 0.08 0.19 0.68 0.70 0.00 0.00 175.17 176.83 1pm1 s VAL 132 N -2.05 -0.02 -0.07 2.11 -7.23 -0.57 -4.62 120.40 107.95 1pm1 s VAL 132 Ca 0.25 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.33 1pm1 s VAL 132 Cb -0.07 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1pm1 s VAL 132 CO 0.12 0.02 0.37 -0.31 -0.31 0.00 0.00 175.10 175.00 1pm1 s TYR 133 N 0.51 3.61 -0.08 2.82 2.02 -0.60 -1.24 117.35 124.39 1pm1 s TYR 133 Ca -0.03 0.84 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 1pm1 s TYR 133 Cb -0.05 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.20 1pm1 s TYR 133 CO -0.03 0.46 -0.10 0.95 -1.57 0.00 0.00 175.55 175.26 1pm1 s THR 134 N -0.35 1.04 -0.02 -0.71 -4.23 0.04 -0.61 115.64 110.79 1pm1 s THR 134 Ca 0.22 -0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 60.10 1pm1 s THR 134 Cb -0.15 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1pm1 s THR 134 CO 0.10 0.35 0.82 -0.69 -0.54 0.00 0.00 174.62 174.65 1pm1 s VAL 135 N 1.14 4.91 0.06 2.29 1.01 -0.05 -1.72 120.40 128.03 1pm1 s VAL 135 Ca -0.06 1.71 0.09 0.00 0.00 0.00 0.00 61.98 63.72 1pm1 s VAL 135 Cb -0.14 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1pm1 s VAL 135 CO -0.02 0.24 -0.24 -0.76 0.00 0.00 0.00 175.10 174.32 1pm1 s LEU 136 N 0.70 2.19 0.08 3.92 1.43 0.40 -0.63 118.68 126.76 1pm1 s LEU 136 Ca 0.43 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1pm1 s LEU 136 Cb -0.20 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1pm1 s LEU 136 CO 0.23 0.21 -0.06 0.42 0.23 0.00 0.00 176.35 177.38 1pm1 s THR 137 N -0.84 0.57 -0.01 5.49 -4.23 -0.58 -1.00 115.64 115.03 1pm1 s THR 137 Ca 0.10 -1.80 0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1pm1 s THR 137 Cb -0.10 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.29 1pm1 s THR 137 CO 0.02 -0.84 1.53 0.45 -0.54 0.00 0.00 174.62 175.24 1pm1 h HIS 138 N 3.19 0.00 -3.30 3.99 3.86 -1.65 0.92 115.15 122.16 1pm1 h HIS 138 Ca -0.35 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.20 1pm1 h HIS 138 Cb 1.16 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.47 1pm1 h HIS 138 CO 0.58 0.50 -0.62 -0.65 0.86 0.00 0.00 177.93 178.61 1pm1 s GLN 139 N -3.17 3.31 0.28 2.45 -1.52 -1.26 -4.77 119.66 114.98 1pm1 s GLN 139 Ca 0.02 -0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 52.72 1pm1 s GLN 139 Cb 0.09 -2.90 -0.12 0.00 -0.22 0.00 0.00 33.01 29.86 1pm1 s GLN 139 CO 0.73 0.53 1.51 1.17 -0.25 0.00 0.00 175.29 178.99 1pm1 n LYS 140 N 2.67 2.43 -1.79 2.91 4.81 -1.26 -2.48 118.16 125.45 1pm1 n LYS 140 Ca -0.18 0.86 -0.18 0.00 -0.87 0.00 0.00 58.31 57.94 1pm1 n LYS 140 Cb 0.53 -2.59 -0.06 0.00 0.02 0.00 0.00 35.03 32.94 1pm1 n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pm1 n ASP 141 N 2.09 -5.24 -4.91 3.14 8.00 -1.26 -5.00 116.55 113.39 1pm1 n ASP 141 Ca 0.09 0.30 -0.28 0.00 0.71 0.00 0.00 54.79 55.61 1pm1 n ASP 141 Cb 0.35 -4.33 0.08 0.00 -0.02 0.00 0.00 41.12 37.19 1pm1 n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pm1 s ALA 142 N -2.75 2.79 -0.16 2.24 0.00 -1.03 -5.04 121.76 117.81 1pm1 s ALA 142 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1pm1 s ALA 142 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1pm1 s ALA 142 CO 0.00 -1.53 0.46 -1.21 0.00 0.00 0.00 175.76 173.48 1pm1 s GLU 143 N -5.48 4.26 0.55 0.00 0.41 -1.26 -4.96 118.70 112.22 1pm1 s GLU 143 Ca 0.61 0.37 -0.21 0.00 -0.41 0.00 0.00 54.97 55.32 1pm1 s GLU 143 Cb -0.11 -3.49 -0.05 0.00 -1.78 0.00 0.00 34.13 28.71 1pm1 s GLU 143 CO 0.48 0.04 1.34 -2.14 -0.49 0.00 0.00 175.26 174.49 1pm1 s PRO 144 N 1.02 3.14 0.83 0.39 0.02 -1.26 -4.99 135.00 134.14 1pm1 s PRO 144 Ca 0.23 2.19 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 1pm1 s PRO 144 Cb -0.15 -2.23 0.09 0.00 0.02 0.00 0.00 34.50 32.23 1pm1 s PRO 144 CO 0.09 -1.18 1.14 -1.54 -0.33 0.00 0.00 177.00 175.19 1pm1 s SER 145 N -1.02 3.71 0.32 2.53 1.04 -1.26 -4.79 113.70 114.22 1pm1 s SER 145 Ca 0.72 2.12 0.06 0.00 0.48 0.00 0.00 55.95 59.33 1pm1 s SER 145 Cb -0.39 -2.56 0.72 0.00 0.10 0.00 0.00 66.02 63.89 1pm1 s SER 145 CO 0.46 -2.58 1.83 0.00 0.98 0.00 0.00 173.24 173.93 1pm1 h ALA 146 N -1.26 1.70 -0.39 5.32 0.00 -1.98 0.26 119.26 122.91 1pm1 h ALA 146 Ca -0.44 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1pm1 h ALA 146 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1pm1 h ALA 146 CO 0.46 0.01 0.10 -0.22 0.00 0.00 0.00 179.25 179.60 1pm1 h LYS 147 N 0.80 0.62 -0.29 0.00 3.64 -1.99 0.29 116.57 119.64 1pm1 h LYS 147 Ca 0.51 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1pm1 h LYS 147 Cb 0.73 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1pm1 h LYS 147 CO -0.28 0.65 -0.37 0.28 -2.27 0.00 0.00 179.45 177.46 1pm1 h VAL 148 N 0.49 1.29 -0.39 2.00 2.07 -1.76 -2.31 116.25 117.63 1pm1 h VAL 148 Ca 0.12 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1pm1 h VAL 148 Cb 0.31 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1pm1 h VAL 148 CO 0.00 0.49 0.02 0.11 0.02 0.00 0.00 177.57 178.21 1pm1 h LYS 149 N 0.56 0.61 -0.68 1.57 1.57 -0.61 -1.82 116.57 117.76 1pm1 h LYS 149 Ca 0.05 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1pm1 h LYS 149 Cb 0.89 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1pm1 h LYS 149 CO 0.08 0.61 0.33 1.03 -0.57 0.00 0.00 179.45 180.93 1pm1 h SER 150 N 0.58 0.89 -0.30 0.86 0.87 -0.72 -2.54 113.55 113.20 1pm1 h SER 150 Ca 0.12 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1pm1 h SER 150 Cb 0.34 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1pm1 h SER 150 CO 0.01 0.77 0.20 0.00 -0.53 0.00 0.00 176.83 177.28 1pm1 h ALA 151 N 1.16 1.84 0.06 6.23 0.00 -0.79 -0.38 119.26 127.37 1pm1 h ALA 151 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pm1 h ALA 151 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pm1 h ALA 151 CO -0.03 0.13 -0.03 0.28 0.00 0.00 0.00 179.25 179.61 1pm1 h VAL 152 N 0.36 0.95 -0.58 0.00 2.07 -0.97 -0.72 116.25 117.35 1pm1 h VAL 152 Ca 0.12 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1pm1 h VAL 152 Cb 0.03 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1pm1 h VAL 152 CO -0.03 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.67 1pm1 h THR 153 N -0.08 1.17 0.00 2.57 2.02 -1.25 -2.36 112.91 114.97 1pm1 h THR 153 Ca -0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1pm1 h THR 153 Cb 0.06 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1pm1 h THR 153 CO 0.01 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1pm1 n GLN 154 N -4.65 0.15 -0.00 6.66 1.13 -0.21 -0.94 117.38 119.52 1pm1 n GLN 154 Ca 0.04 0.27 0.13 0.00 -1.94 0.00 0.00 57.00 55.50 1pm1 n GLN 154 Cb 0.04 -1.73 0.74 0.00 0.11 0.00 0.00 30.24 29.40 1pm1 n GLN 154 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pm1 n ALA 155 N -1.69 2.64 -0.68 -1.58 0.00 -0.30 -4.90 120.51 114.01 1pm1 n ALA 155 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pm1 n ALA 155 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1pm1 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pm1 n GLY 156 N 0.93 0.61 3.69 0.00 0.00 -0.11 -5.06 105.19 105.26 1pm1 n GLY 156 Ca 0.19 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1pm1 n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm1 s LEU 157 N 0.00 3.06 -0.12 0.99 1.43 -0.98 -5.04 118.68 118.02 1pm1 s LEU 157 Ca 0.00 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1pm1 s LEU 157 Cb 0.00 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.87 1pm1 s LEU 157 CO 0.00 -0.42 -0.13 -1.10 0.23 0.00 0.00 176.35 174.93 1pm1 s GLN 158 N -3.82 2.03 0.53 1.70 -1.52 -1.26 -3.95 119.66 113.36 1pm1 s GLN 158 Ca 0.38 -0.47 0.19 0.00 -1.95 0.00 0.00 55.36 53.51 1pm1 s GLN 158 Cb 0.03 -1.85 1.32 0.00 -0.22 0.00 0.00 33.01 32.29 1pm1 s GLN 158 CO 0.21 -0.17 2.11 1.25 -0.25 0.00 0.00 175.29 178.44 1pm1 h LEU 159 N 7.82 0.00 -2.60 2.90 5.85 -1.94 -0.64 115.31 126.69 1pm1 h LEU 159 Ca -0.33 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1pm1 h LEU 159 Cb 1.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1pm1 h LEU 159 CO 0.48 0.00 0.10 0.77 -0.34 0.00 0.00 178.44 179.45 1pm1 h SER 160 N 0.00 0.00 0.64 1.25 4.64 -2.03 -1.88 113.55 116.16 1pm1 h SER 160 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1pm1 h SER 160 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1pm1 h SER 160 CO -0.00 0.00 -0.75 0.00 -0.87 0.00 0.00 176.83 175.21 1pm1 n GLN 161 N -3.28 0.24 -2.05 4.77 1.13 -0.25 -4.90 117.38 113.04 1pm1 n GLN 161 Ca -0.02 0.04 -0.33 0.00 -1.94 0.00 0.00 57.00 54.75 1pm1 n GLN 161 Cb 0.17 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 28.92 1pm1 n GLN 161 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1pm1 s PHE 162 N -3.15 2.88 -0.14 1.08 0.40 -0.71 -4.90 117.98 113.44 1pm1 s PHE 162 Ca 0.06 1.53 -0.20 0.00 -0.60 0.00 0.00 56.93 57.72 1pm1 s PHE 162 Cb 0.14 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 1pm1 s PHE 162 CO 0.75 -1.25 0.59 0.08 0.70 0.00 0.00 175.22 176.09 1pm1 s VAL 163 N -2.32 5.08 -0.08 -0.44 1.01 0.19 -4.85 120.40 118.99 1pm1 s VAL 163 Ca 0.65 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 63.55 1pm1 s VAL 163 Cb -0.18 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1pm1 s VAL 163 CO 0.35 0.21 0.74 -0.83 0.00 0.00 0.00 175.10 175.57 1pm1 s GLY 164 N 0.93 2.56 0.32 4.51 0.00 -1.26 -1.14 107.32 113.24 1pm1 s GLY 164 Ca 0.30 0.14 0.23 0.00 0.00 0.00 0.00 44.72 45.39 1pm1 s GLY 164 CO 0.12 1.29 1.44 -0.91 0.00 0.00 0.00 173.10 175.05 1pm1 h THR 165 N 4.83 0.00 0.00 0.90 1.35 -1.41 -3.34 112.91 115.24 1pm1 h THR 165 Ca -0.39 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1pm1 h THR 165 Cb 1.19 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1pm1 h THR 165 CO 0.76 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.10 1pm1 h LYS 166 N 0.00 0.00 -0.28 4.72 2.10 -1.90 -2.29 116.57 118.92 1pm1 h LYS 166 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pm1 h LYS 166 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1pm1 h LYS 166 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1pm1 n ASP 167 N -2.68 3.09 -0.17 7.07 8.00 -1.25 -4.59 116.55 126.03 1pm1 n ASP 167 Ca -0.01 -1.90 0.13 0.00 0.71 0.00 0.00 54.79 53.72 1pm1 n ASP 167 Cb 0.14 -0.18 0.48 0.00 -0.02 0.00 0.00 41.12 41.54 1pm1 n ASP 167 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pm1 n LEU 168 N 1.21 0.72 -1.63 0.64 4.77 -0.86 -4.93 117.00 116.91 1pm1 n LEU 168 Ca 0.16 -0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1pm1 n LEU 168 Cb 0.53 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1pm1 n LEU 168 CO 0.13 0.14 0.07 0.61 -1.33 0.00 0.00 177.39 177.01 1pm1 n GLY 169 N 1.33 0.30 3.74 -0.72 0.00 -1.26 -4.96 105.19 103.62 1pm1 n GLY 169 Ca 0.13 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1pm1 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm1 s GLN 171 N -2.17 3.74 0.33 0.00 -1.52 -1.26 -5.13 119.66 113.66 1pm1 s GLN 171 Ca 0.58 -0.47 0.09 0.00 -1.95 0.00 0.00 55.36 53.61 1pm1 s GLN 171 Cb -0.50 -3.07 -0.05 0.00 -0.22 0.00 0.00 33.01 29.17 1pm1 s GLN 171 CO 0.61 0.16 0.07 0.71 -0.25 0.00 0.00 175.29 176.59 1pm1 s TYR 172 N 0.63 2.65 -0.55 0.91 2.02 -1.26 -4.79 117.35 116.96 1pm1 s TYR 172 Ca 0.00 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1pm1 s TYR 172 Cb -0.14 -1.51 0.14 0.00 -0.40 0.00 0.00 41.96 40.05 1pm1 s TYR 172 CO 0.02 0.44 0.31 0.34 -1.57 0.00 0.00 175.55 175.09 1pm1 s ASP 173 N -3.77 4.31 0.39 2.29 -1.08 -1.26 -4.96 116.67 112.58 1pm1 s ASP 173 Ca 0.36 -3.16 0.21 0.00 -0.52 0.00 0.00 52.55 49.43 1pm1 s ASP 173 Cb -0.02 -1.55 0.55 0.00 -1.46 0.00 0.00 42.92 40.43 1pm1 s ASP 173 CO 0.21 -0.20 1.67 0.44 0.52 0.00 0.00 175.17 177.81 1pm1 h ASP 174 N 6.26 0.00 -0.66 -0.34 3.32 -1.99 -2.67 116.42 120.34 1pm1 h ASP 174 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1pm1 h ASP 174 Cb 0.86 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1pm1 h ASP 174 CO 0.67 0.29 0.29 -0.61 -1.72 0.00 0.00 179.24 178.16 1pm1 h GLN 175 N 0.00 0.97 -0.72 3.56 4.15 -1.97 -2.11 115.11 118.99 1pm1 h GLN 175 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1pm1 h GLN 175 Cb 1.00 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1pm1 h GLN 175 CO 0.04 0.80 0.45 0.35 -1.93 0.00 0.00 178.83 178.54 1pm1 h PHE 176 N 0.93 0.92 -0.02 3.99 3.57 -1.77 -2.86 116.94 121.71 1pm1 h PHE 176 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1pm1 h PHE 176 Cb 0.16 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1pm1 h PHE 176 CO 0.01 0.60 -0.17 0.25 -2.23 0.00 0.00 178.31 176.77 1pm1 n THR 177 N -4.41 0.00 -1.73 4.41 -2.24 -1.09 -4.98 114.28 104.24 1pm1 n THR 177 Ca 0.08 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1pm1 n THR 177 Cb 0.05 0.87 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 1pm1 n THR 177 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pm1 s SER 178 N -2.23 4.95 0.00 3.42 1.04 -0.81 -4.70 113.70 115.37 1pm1 s SER 178 Ca 0.28 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1pm1 s SER 178 Cb 0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1pm1 s SER 178 CO 0.42 -1.74 0.47 0.18 0.98 0.00 0.00 173.24 173.55