#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wt9 s SER 3 N -2.46 2.77 0.21 0.00 0.01 -1.26 -4.85 113.70 108.11 1wt9 s SER 3 Ca 0.10 2.15 -0.32 0.00 1.31 0.00 0.00 55.95 59.20 1wt9 s SER 3 Cb -0.06 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.51 1wt9 s SER 3 CO 0.04 -3.19 1.70 -0.55 0.41 0.00 0.00 173.24 171.65 1wt9 s SER 4 N -2.66 6.40 0.00 2.44 0.15 -1.26 -1.55 113.70 117.22 1wt9 s SER 4 Ca 0.67 2.84 0.00 0.00 0.70 0.00 0.00 55.95 60.16 1wt9 s SER 4 Cb -0.23 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1wt9 s SER 4 CO 0.58 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wt9 n GLY 5 N 3.91 2.35 3.88 9.45 0.00 -1.26 -5.05 105.19 118.47 1wt9 n GLY 5 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1wt9 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wt9 s TRP 6 N -2.61 3.59 -0.06 1.61 0.52 -0.60 -4.85 118.94 116.55 1wt9 s TRP 6 Ca 0.00 0.51 -0.03 0.00 0.02 0.00 0.00 56.10 56.59 1wt9 s TRP 6 Cb 0.00 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 1wt9 s TRP 6 CO 0.00 0.71 0.11 -1.12 0.02 0.00 0.00 176.95 176.67 1wt9 s SER 7 N -1.29 6.00 0.07 2.95 0.01 0.17 -4.72 113.70 116.89 1wt9 s SER 7 Ca 0.19 0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.78 1wt9 s SER 7 Cb -0.12 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 1wt9 s SER 7 CO 0.09 0.33 0.02 -0.94 0.41 0.00 0.00 173.24 173.15 1wt9 s SER 8 N -1.42 5.16 -0.25 2.44 1.04 -1.26 0.55 113.70 119.96 1wt9 s SER 8 Ca 0.20 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.43 1wt9 s SER 8 Cb -0.12 -1.29 0.11 0.00 0.10 0.00 0.00 66.02 64.81 1wt9 s SER 8 CO 0.10 0.19 0.56 -0.47 0.98 0.00 0.00 173.24 174.60 1wt9 s TYR 9 N -1.29 -1.07 -1.31 5.02 5.04 -0.41 -4.97 117.35 118.36 1wt9 s TYR 9 Ca 0.25 1.96 -0.14 0.00 -2.44 0.00 0.00 57.07 56.70 1wt9 s TYR 9 Cb -0.12 0.57 0.01 0.00 0.35 0.00 0.00 41.96 42.77 1wt9 s TYR 9 CO 0.18 -0.57 0.52 0.39 -1.34 0.00 0.00 175.55 174.73 1wt9 n GLU 10 N 5.22 -1.66 -0.90 4.97 -0.58 -1.26 -1.53 120.64 124.90 1wt9 n GLU 10 Ca -0.12 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1wt9 n GLU 10 Cb 0.51 -3.81 0.00 0.00 -0.57 0.00 0.00 31.44 27.56 1wt9 n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wt9 n GLY 11 N -2.02 0.55 3.54 0.62 0.00 -1.26 -5.00 105.19 101.62 1wt9 n GLY 11 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1wt9 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wt9 s HIS 12 N -2.51 2.42 -0.07 1.61 3.76 -0.58 -5.00 115.29 114.92 1wt9 s HIS 12 Ca 0.00 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.57 1wt9 s HIS 12 Cb 0.00 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 1wt9 s HIS 12 CO 0.00 0.62 -0.24 0.00 -0.85 0.00 0.00 174.74 174.27 1wt9 s TYR 14 N 0.06 1.77 -0.27 0.00 1.51 0.19 -1.21 117.35 119.40 1wt9 s TYR 14 Ca -0.10 -0.51 -0.11 0.00 -1.01 0.00 0.00 57.07 55.35 1wt9 s TYR 14 Cb -0.15 -0.86 0.11 0.00 -0.11 0.00 0.00 41.96 40.95 1wt9 s TYR 14 CO 0.06 0.34 0.60 0.21 -1.11 0.00 0.00 175.55 175.65 1wt9 s LYS 15 N -3.12 0.55 0.04 -0.62 2.47 -0.77 -0.66 119.74 117.64 1wt9 s LYS 15 Ca 0.18 1.30 -0.22 0.00 -1.56 0.00 0.00 55.97 55.66 1wt9 s LYS 15 Cb -0.04 0.58 -0.06 0.00 -1.46 0.00 0.00 37.83 36.85 1wt9 s LYS 15 CO 0.07 -0.20 0.67 0.08 0.16 0.00 0.00 175.35 176.13 1wt9 s VAL 16 N 2.50 4.75 -0.21 4.02 1.01 -1.26 -1.18 120.40 130.04 1wt9 s VAL 16 Ca -0.06 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1wt9 s VAL 16 Cb -0.10 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1wt9 s VAL 16 CO -0.18 0.43 -0.15 -0.36 0.00 0.00 0.00 175.10 174.85 1wt9 s PHE 17 N -0.39 2.90 0.27 5.22 0.40 0.31 -4.99 117.98 121.70 1wt9 s PHE 17 Ca 0.34 -1.60 0.31 0.00 -0.60 0.00 0.00 56.93 55.38 1wt9 s PHE 17 Cb -0.20 -1.97 1.41 0.00 0.51 0.00 0.00 43.02 42.77 1wt9 s PHE 17 CO 0.21 -0.77 2.02 0.87 0.70 0.00 0.00 175.22 178.25 1wt9 h LYS 18 N 7.96 0.00 -6.96 0.44 1.57 -1.97 -2.72 116.57 114.89 1wt9 h LYS 18 Ca -0.40 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.85 1wt9 h LYS 18 Cb 1.13 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.52 1wt9 h LYS 18 CO 0.61 0.09 0.61 1.14 -0.57 0.00 0.00 179.45 181.33 1wt9 s GLN 19 N -3.88 3.88 -0.19 3.15 0.00 -1.26 -4.57 119.66 116.78 1wt9 s GLN 19 Ca -0.01 2.15 -0.18 0.00 -0.00 0.00 0.00 55.36 57.32 1wt9 s GLN 19 Cb 0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 33.01 30.39 1wt9 s GLN 19 CO 0.56 -0.56 0.51 -1.12 0.00 0.00 0.00 175.29 174.68 1wt9 s SER 20 N -0.78 6.57 0.10 12.60 0.01 -1.26 -3.94 113.70 127.00 1wt9 s SER 20 Ca 0.59 0.68 -0.01 0.00 1.31 0.00 0.00 55.95 58.52 1wt9 s SER 20 Cb -0.38 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1wt9 s SER 20 CO 0.48 -0.16 0.02 -0.54 0.41 0.00 0.00 173.24 173.45 1wt9 s LYS 21 N 1.55 0.81 0.73 12.44 1.02 -0.69 -4.60 119.74 131.01 1wt9 s LYS 21 Ca 0.24 -1.36 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 1wt9 s LYS 21 Cb -0.15 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.39 1wt9 s LYS 21 CO 0.10 -0.19 1.07 0.95 -0.92 0.00 0.00 175.35 176.36 1wt9 s THR 22 N -3.97 3.70 0.16 2.17 -4.23 -1.25 -0.73 115.64 111.48 1wt9 s THR 22 Ca 0.17 0.55 -0.21 0.00 -1.18 0.00 0.00 61.69 61.02 1wt9 s THR 22 Cb 0.08 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.71 1wt9 s THR 22 CO -0.03 -0.72 1.62 -0.25 -0.54 0.00 0.00 174.62 174.70 1wt9 h TRP 23 N -0.86 -0.65 -0.35 3.99 7.01 -1.57 0.48 115.95 123.99 1wt9 h TRP 23 Ca -0.45 0.04 0.04 0.00 2.11 0.00 0.00 58.89 60.64 1wt9 h TRP 23 Cb 1.23 0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 28.59 1wt9 h TRP 23 CO 0.57 -0.32 0.13 1.15 -2.79 0.00 0.00 178.44 177.18 1wt9 h THR 24 N -0.21 0.90 -0.47 2.65 2.02 -1.92 -0.80 112.91 115.08 1wt9 h THR 24 Ca 0.16 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.17 1wt9 h THR 24 Cb 0.47 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1wt9 h THR 24 CO -0.45 0.05 -0.02 0.44 0.37 0.00 0.00 175.52 175.91 1wt9 h ASP 25 N 0.28 0.76 -0.13 4.18 3.32 -1.83 -1.26 116.42 121.74 1wt9 h ASP 25 Ca 0.16 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1wt9 h ASP 25 Cb 0.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1wt9 h ASP 25 CO -0.16 0.83 0.08 0.00 -1.72 0.00 0.00 179.24 178.27 1wt9 h ALA 26 N 1.25 0.16 -0.32 3.45 0.00 -0.47 0.15 119.26 123.49 1wt9 h ALA 26 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1wt9 h ALA 26 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1wt9 h ALA 26 CO 0.02 -0.32 0.15 1.49 0.00 0.00 0.00 179.25 180.59 1wt9 h GLU 27 N 0.13 0.31 -0.45 0.00 4.57 -0.90 -0.29 114.58 117.96 1wt9 h GLU 27 Ca 0.05 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1wt9 h GLU 27 Cb 0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1wt9 h GLU 27 CO -0.01 0.21 0.26 1.03 -1.18 0.00 0.00 179.01 179.32 1wt9 h SER 28 N 0.32 0.54 -0.58 1.04 0.87 -1.05 -2.53 113.55 112.17 1wt9 h SER 28 Ca 0.13 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1wt9 h SER 28 Cb 0.05 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 1wt9 h SER 28 CO -0.09 0.45 0.32 0.15 -0.53 0.00 0.00 176.83 177.12 1wt9 h PHE 29 N 0.59 0.59 -0.88 2.24 3.57 -0.17 -2.53 116.94 120.35 1wt9 h PHE 29 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1wt9 h PHE 29 Cb 0.01 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1wt9 h PHE 29 CO -0.03 0.30 0.58 0.00 -2.23 0.00 0.00 178.31 176.94 1wt9 h THR 31 N 1.18 0.26 0.00 0.00 1.35 -1.04 -1.99 112.91 112.66 1wt9 h THR 31 Ca 0.33 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1wt9 h THR 31 Cb -0.11 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1wt9 h THR 31 CO -0.08 0.01 -1.05 0.29 -0.25 0.00 0.00 175.52 174.43 1wt9 n LYS 32 N -3.44 0.24 0.08 4.72 5.02 -0.61 -4.31 118.16 119.86 1wt9 n LYS 32 Ca -0.03 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.16 1wt9 n LYS 32 Cb 0.09 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 1wt9 n LYS 32 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wt9 h GLN 33 N 0.00 0.08 -2.30 1.97 1.08 -0.99 -3.47 115.11 111.48 1wt9 h GLN 33 Ca 0.00 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 1wt9 h GLN 33 Cb 0.69 0.04 -0.19 0.00 -0.05 0.00 0.00 27.48 27.97 1wt9 h GLN 33 CO 0.00 0.98 0.05 0.54 -0.95 0.00 0.00 178.83 179.46 1wt9 s VAL 34 N -2.90 0.02 0.11 -0.54 0.11 -1.24 -5.08 120.40 110.89 1wt9 s VAL 34 Ca -0.01 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.59 1wt9 s VAL 34 Cb 0.10 -0.89 -0.09 0.00 -1.53 0.00 0.00 36.38 33.97 1wt9 s VAL 34 CO 0.82 -0.08 1.55 0.20 -3.33 0.00 0.00 175.10 174.27 1wt9 s ASN 35 N -1.23 6.65 0.00 3.54 -0.87 -1.26 -1.50 114.94 120.27 1wt9 s ASN 35 Ca -0.12 2.49 0.00 0.00 -1.57 0.00 0.00 52.86 53.66 1wt9 s ASN 35 Cb -0.02 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 1wt9 s ASN 35 CO 0.08 -0.81 0.00 0.61 -2.57 0.00 0.00 177.10 174.42 1wt9 n GLY 36 N 3.78 0.73 3.77 0.66 0.00 -1.26 -4.93 105.19 107.94 1wt9 n GLY 36 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1wt9 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wt9 s GLY 37 N -1.88 2.78 0.29 -0.02 0.00 -0.56 -4.60 107.32 103.34 1wt9 s GLY 37 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 1wt9 s GLY 37 CO 0.00 1.41 0.64 0.30 0.00 0.00 0.00 173.10 175.44 1wt9 s HIS 38 N -1.54 0.14 0.55 1.90 3.76 -0.54 -3.27 115.29 116.29 1wt9 s HIS 38 Ca 0.64 -0.59 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 1wt9 s HIS 38 Cb -0.29 0.50 -0.05 0.00 1.11 0.00 0.00 32.58 33.85 1wt9 s HIS 38 CO 0.35 -1.21 1.20 -0.51 -0.85 0.00 0.00 174.74 173.72 1wt9 s LEU 39 N -3.00 3.79 0.53 0.89 1.43 -1.26 -0.50 118.68 120.56 1wt9 s LEU 39 Ca 0.17 2.37 -0.21 0.00 -1.03 0.00 0.00 54.13 55.43 1wt9 s LEU 39 Cb -0.04 -4.47 -0.07 0.00 0.03 0.00 0.00 46.19 41.64 1wt9 s LEU 39 CO 0.10 -1.35 1.05 0.55 0.23 0.00 0.00 176.35 176.92 1wt9 n VAL 40 N -1.21 3.29 -5.18 -1.59 3.14 -0.14 -4.28 118.33 112.36 1wt9 n VAL 40 Ca 0.11 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.67 1wt9 n VAL 40 Cb 0.49 -1.26 -0.16 0.00 -1.06 0.00 0.00 33.84 31.85 1wt9 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wt9 s SER 41 N -1.01 3.20 -0.41 6.55 1.04 -1.26 0.06 113.70 121.88 1wt9 s SER 41 Ca 0.71 -0.51 -0.09 0.00 0.48 0.00 0.00 55.95 56.54 1wt9 s SER 41 Cb -0.46 -1.24 0.07 0.00 0.10 0.00 0.00 66.02 64.50 1wt9 s SER 41 CO 0.51 0.19 0.24 -0.63 0.98 0.00 0.00 173.24 174.53 1wt9 s ILE 42 N 0.15 4.19 -0.86 -1.02 1.01 -1.26 -4.95 121.20 118.47 1wt9 s ILE 42 Ca -0.12 -1.33 0.13 0.00 0.00 0.00 0.00 60.65 59.32 1wt9 s ILE 42 Cb -0.16 -3.53 0.38 0.00 0.01 0.00 0.00 42.46 39.15 1wt9 s ILE 42 CO 0.07 -0.45 1.31 -0.62 0.00 0.00 0.00 174.94 175.25 1wt9 n GLU 43 N 4.91 2.91 -3.60 2.79 1.02 -1.26 -4.98 120.64 122.43 1wt9 n GLU 43 Ca -0.10 -2.25 -0.04 0.00 -0.02 0.00 0.00 57.16 54.75 1wt9 n GLU 43 Cb 0.43 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1wt9 n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wt9 s SER 44 N -1.15 -0.17 0.12 1.62 1.04 -1.26 -5.00 113.70 108.89 1wt9 s SER 44 Ca 0.29 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.43 1wt9 s SER 44 Cb 0.17 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1wt9 s SER 44 CO 0.16 -0.42 1.71 0.28 0.98 0.00 0.00 173.24 175.95 1wt9 h SER 45 N 2.00 -0.18 -0.39 7.02 0.02 -1.99 0.01 113.55 120.05 1wt9 h SER 45 Ca -0.19 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1wt9 h SER 45 Cb 1.20 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.80 1wt9 h SER 45 CO 0.26 -0.07 0.04 1.23 -1.14 0.00 0.00 176.83 177.16 1wt9 h GLY 46 N -0.01 0.42 0.95 -3.77 0.00 -1.99 -0.06 103.07 98.61 1wt9 h GLY 46 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1wt9 h GLY 46 CO -0.18 -0.07 0.17 -2.09 0.00 0.00 0.00 176.54 174.37 1wt9 h GLU 47 N 0.15 0.61 -0.97 4.80 4.81 -1.86 -1.84 114.58 120.28 1wt9 h GLU 47 Ca 0.19 -0.11 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1wt9 h GLU 47 Cb 0.25 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 1wt9 h GLU 47 CO -0.28 0.57 0.62 0.00 -0.73 0.00 0.00 179.01 179.19 1wt9 h ALA 48 N 1.01 1.50 -0.13 2.92 0.00 -0.30 0.38 119.26 124.65 1wt9 h ALA 48 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1wt9 h ALA 48 Cb 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wt9 h ALA 48 CO -0.01 0.31 -0.02 -0.44 0.00 0.00 0.00 179.25 179.09 1wt9 h ASP 49 N 1.04 0.24 0.01 0.00 3.32 -0.68 -0.62 116.42 119.73 1wt9 h ASP 49 Ca 0.44 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1wt9 h ASP 49 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wt9 h ASP 49 CO -0.20 0.53 -0.00 0.15 -1.72 0.00 0.00 179.24 178.01 1wt9 h PHE 50 N -0.06 -0.01 -0.75 4.55 3.57 -0.80 -1.81 116.94 121.63 1wt9 h PHE 50 Ca 0.03 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1wt9 h PHE 50 Cb 0.42 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1wt9 h PHE 50 CO 0.05 0.01 0.27 0.28 -2.23 0.00 0.00 178.31 176.69 1wt9 h VAL 51 N -0.02 1.26 -0.45 1.41 2.07 -0.97 -0.41 116.25 119.15 1wt9 h VAL 51 Ca -0.00 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1wt9 h VAL 51 Cb 0.02 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1wt9 h VAL 51 CO 0.00 0.34 0.27 1.23 0.02 0.00 0.00 177.57 179.43 1wt9 h GLY 52 N 1.10 0.63 1.36 2.17 0.00 -0.93 -0.66 103.07 106.74 1wt9 h GLY 52 Ca 0.25 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 1wt9 h GLY 52 CO -0.02 0.18 -0.43 1.46 0.00 0.00 0.00 176.54 177.74 1wt9 h GLN 53 N 0.55 0.70 -0.25 4.80 4.20 -1.10 -1.65 115.11 122.37 1wt9 h GLN 53 Ca 0.18 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1wt9 h GLN 53 Cb -0.00 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wt9 h GLN 53 CO -0.07 0.99 0.16 1.25 -0.67 0.00 0.00 178.83 180.49 1wt9 h LEU 54 N 0.57 0.27 0.04 1.46 5.85 -0.69 -2.49 115.31 120.32 1wt9 h LEU 54 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wt9 h LEU 54 Cb 0.97 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1wt9 h LEU 54 CO 0.09 0.20 -0.02 0.40 -0.34 0.00 0.00 178.44 178.76 1wt9 h ILE 55 N 0.32 0.96 -0.28 4.05 2.04 -1.04 -2.31 117.51 121.24 1wt9 h ILE 55 Ca 0.09 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1wt9 h ILE 55 Cb -0.03 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1wt9 h ILE 55 CO -0.03 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.60 1wt9 h ALA 56 N 0.89 1.89 0.00 1.87 0.00 -1.00 0.40 119.26 123.31 1wt9 h ALA 56 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1wt9 h ALA 56 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wt9 h ALA 56 CO 0.01 -0.62 -0.42 1.96 0.00 0.00 0.00 179.25 180.17 1wt9 h GLN 57 N 0.00 0.00 0.00 0.00 4.20 -0.97 -3.37 115.11 114.97 1wt9 h GLN 57 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1wt9 h GLN 57 Cb 1.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1wt9 h GLN 57 CO -0.00 0.42 -1.46 1.63 -0.67 0.00 0.00 178.83 178.76 1wt9 n LYS 58 N -3.73 2.44 -3.58 1.46 5.02 0.02 -4.98 118.16 114.81 1wt9 n LYS 58 Ca -0.01 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1wt9 n LYS 58 Cb 0.50 -1.17 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 1wt9 n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wt9 s ILE 59 N -2.16 5.10 -0.10 -0.18 -1.09 -0.51 -4.93 121.20 117.33 1wt9 s ILE 59 Ca -0.05 -0.16 0.14 0.00 -2.23 0.00 0.00 60.65 58.36 1wt9 s ILE 59 Cb 0.02 -3.55 0.24 0.00 -1.58 0.00 0.00 42.46 37.58 1wt9 s ILE 59 CO 0.26 0.09 1.12 0.29 -1.23 0.00 0.00 174.94 175.47 1wt9 n LYS 60 N 5.06 0.98 -4.20 2.79 5.02 -1.26 -4.58 118.16 121.97 1wt9 n LYS 60 Ca -0.13 -2.26 -0.28 0.00 -2.02 0.00 0.00 58.31 53.61 1wt9 n LYS 60 Cb 0.50 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 1wt9 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wt9 s SER 61 N -2.46 4.72 0.00 4.39 0.15 -1.26 -5.02 113.70 114.22 1wt9 s SER 61 Ca 0.25 -0.36 0.13 0.00 0.70 0.00 0.00 55.95 56.67 1wt9 s SER 61 Cb 0.23 -1.00 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1wt9 s SER 61 CO 0.01 0.13 0.81 0.00 1.20 0.00 0.00 173.24 175.39 1wt9 n ALA 62 N 0.21 2.73 1.17 5.45 0.00 -1.26 -4.43 120.51 124.37 1wt9 n ALA 62 Ca -0.11 -0.54 0.14 0.00 0.00 0.00 0.00 53.44 52.93 1wt9 n ALA 62 Cb 0.54 -0.44 0.66 0.00 0.00 0.00 0.00 19.45 20.22 1wt9 n ALA 62 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wt9 n LYS 63 N 0.25 0.21 -4.38 0.00 -0.00 -1.26 -4.84 118.16 108.14 1wt9 n LYS 63 Ca 0.06 0.02 -0.22 0.00 -0.00 0.00 0.00 58.31 58.17 1wt9 n LYS 63 Cb 0.29 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.74 1wt9 n LYS 63 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1wt9 s ILE 64 N -2.78 0.27 0.41 0.58 -5.25 -1.26 -5.18 121.20 107.98 1wt9 s ILE 64 Ca 0.21 -2.00 0.04 0.00 -0.99 0.00 0.00 60.65 57.91 1wt9 s ILE 64 Cb 0.19 -2.43 -0.02 0.00 2.95 0.00 0.00 42.46 43.14 1wt9 s ILE 64 CO 0.47 0.00 0.16 -1.38 -1.79 0.00 0.00 174.94 172.40 1wt9 s HIS 65 N -3.39 1.78 -0.12 1.37 -3.43 -1.26 -4.70 115.29 105.53 1wt9 s HIS 65 Ca 0.33 -1.36 0.03 0.00 -0.80 0.00 0.00 55.06 53.26 1wt9 s HIS 65 Cb 0.03 -1.09 0.01 0.00 -1.43 0.00 0.00 32.58 30.09 1wt9 s HIS 65 CO 0.21 -0.40 -0.23 0.08 -2.00 0.00 0.00 174.74 172.40 1wt9 s VAL 66 N -3.23 2.03 0.22 -5.38 1.01 -0.46 -3.53 120.40 111.07 1wt9 s VAL 66 Ca 0.25 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1wt9 s VAL 66 Cb 0.02 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 1wt9 s VAL 66 CO 0.16 0.55 1.34 0.26 0.00 0.00 0.00 175.10 177.41 1wt9 s TRP 67 N 0.59 3.19 0.33 5.22 0.23 -0.45 -1.17 118.94 126.88 1wt9 s TRP 67 Ca -0.13 1.20 0.10 0.00 -2.03 0.00 0.00 56.10 55.24 1wt9 s TRP 67 Cb -0.17 -3.66 -0.06 0.00 0.03 0.00 0.00 33.47 29.62 1wt9 s TRP 67 CO 0.03 -2.04 -0.08 0.96 0.96 0.00 0.00 176.95 176.78 1wt9 s ILE 68 N -0.05 2.44 -0.86 2.03 -4.36 -1.00 -3.56 121.20 115.84 1wt9 s ILE 68 Ca 0.56 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1wt9 s ILE 68 Cb -0.38 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.68 1wt9 s ILE 68 CO 0.41 -0.24 0.47 0.61 0.24 0.00 0.00 174.94 176.43 1wt9 n GLY 69 N -0.82 1.29 3.66 6.27 0.00 0.11 -4.60 105.19 111.10 1wt9 n GLY 69 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1wt9 n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wt9 s LEU 70 N 0.00 3.91 -0.03 0.99 2.96 -1.26 -4.97 118.68 120.27 1wt9 s LEU 70 Ca 0.00 0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.89 1wt9 s LEU 70 Cb 0.00 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1wt9 s LEU 70 CO 0.00 0.18 0.32 -0.60 -1.32 0.00 0.00 176.35 174.93 1wt9 s ARG 71 N 0.31 0.63 -0.34 1.98 3.52 -1.26 -2.04 118.95 121.75 1wt9 s ARG 71 Ca 0.04 -0.10 -0.27 0.00 -0.13 0.00 0.00 55.73 55.27 1wt9 s ARG 71 Cb -0.12 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1wt9 s ARG 71 CO -0.00 -0.17 0.98 0.00 -0.81 0.00 0.00 175.30 175.30 1wt9 s ALA 72 N -1.13 3.45 0.35 6.12 0.00 -0.17 -4.94 121.76 125.45 1wt9 s ALA 72 Ca -0.12 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1wt9 s ALA 72 Cb -0.05 -3.58 0.67 0.00 0.00 0.00 0.00 23.12 20.16 1wt9 s ALA 72 CO 0.04 -1.52 1.96 1.96 0.00 0.00 0.00 175.76 178.20 1wt9 h GLN 73 N 8.28 0.81 -6.55 0.00 7.50 -2.00 -3.45 115.11 119.70 1wt9 h GLN 73 Ca -0.22 -0.05 -0.59 0.00 0.50 0.00 0.00 58.65 58.29 1wt9 h GLN 73 Cb 1.07 -0.18 0.11 0.00 0.05 0.00 0.00 27.48 28.53 1wt9 h GLN 73 CO 1.00 0.54 0.20 0.09 -1.50 0.00 0.00 178.83 179.16 1wt9 n ASN 74 N -4.47 1.57 0.07 1.46 4.13 -1.26 -4.92 115.26 111.84 1wt9 n ASN 74 Ca 0.10 1.16 -0.05 0.00 1.68 0.00 0.00 54.58 57.47 1wt9 n ASN 74 Cb 0.18 -1.33 -0.10 0.00 -1.54 0.00 0.00 39.78 36.99 1wt9 n ASN 74 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1wt9 h LYS 75 N 2.03 0.00 -7.06 3.52 1.57 -1.98 -3.47 116.57 111.19 1wt9 h LYS 75 Ca -0.41 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.84 1wt9 h LYS 75 Cb 1.33 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.85 1wt9 h LYS 75 CO 0.60 0.90 -0.14 0.39 -0.57 0.00 0.00 179.45 180.64 1wt9 n GLU 76 N -3.32 -0.46 0.04 3.15 4.71 -1.26 -4.92 120.64 118.58 1wt9 n GLU 76 Ca -0.00 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.16 57.00 1wt9 n GLU 76 Cb 0.91 -2.15 0.09 0.00 -1.01 0.00 0.00 31.44 29.28 1wt9 n GLU 76 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1wt9 h LYS 77 N -1.79 0.44 -4.06 3.49 1.79 -2.02 -3.46 116.57 110.96 1wt9 h LYS 77 Ca -0.44 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 57.64 1wt9 h LYS 77 Cb 1.28 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.82 1wt9 h LYS 77 CO 0.38 0.87 -0.48 1.14 -1.08 0.00 0.00 179.45 180.29 1wt9 s GLN 78 N -3.95 0.93 0.00 3.15 0.00 -1.26 -4.85 119.66 113.68 1wt9 s GLN 78 Ca -0.06 -1.19 0.16 0.00 -0.00 0.00 0.00 55.36 54.27 1wt9 s GLN 78 Cb 0.12 0.31 0.36 0.00 0.00 0.00 0.00 33.01 33.80 1wt9 s GLN 78 CO 0.82 -0.29 1.28 0.00 0.00 0.00 0.00 175.29 177.10 1wt9 s SER 80 N -1.10 5.88 -0.00 0.00 0.01 -1.26 -4.96 113.70 112.25 1wt9 s SER 80 Ca 0.30 2.09 0.22 0.00 1.31 0.00 0.00 55.95 59.86 1wt9 s SER 80 Cb 0.17 -2.57 -0.22 0.00 0.21 0.00 0.00 66.02 63.60 1wt9 s SER 80 CO 0.23 -1.11 0.79 0.00 0.41 0.00 0.00 173.24 173.56 1wt9 n ILE 81 N -1.27 0.02 -3.64 1.44 3.06 -1.26 -4.98 119.36 112.72 1wt9 n ILE 81 Ca 0.11 -0.18 -0.06 0.00 -2.50 0.00 0.00 62.75 60.11 1wt9 n ILE 81 Cb 0.51 0.58 -0.02 0.00 0.54 0.00 0.00 39.64 41.26 1wt9 n ILE 81 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1wt9 s GLU 82 N -3.19 1.13 0.79 9.51 -1.05 -1.26 -4.32 118.70 120.31 1wt9 s GLU 82 Ca 0.03 -0.54 -0.12 0.00 -0.15 0.00 0.00 54.97 54.18 1wt9 s GLU 82 Cb 0.15 0.44 0.07 0.00 -0.44 0.00 0.00 34.13 34.35 1wt9 s GLU 82 CO 0.87 -0.51 1.16 -1.58 0.95 0.00 0.00 175.26 176.15 1wt9 s TRP 83 N -3.34 3.03 0.48 4.83 0.52 -0.72 -4.93 118.94 118.80 1wt9 s TRP 83 Ca 0.08 0.82 0.38 0.00 0.02 0.00 0.00 56.10 57.40 1wt9 s TRP 83 Cb -0.02 -3.40 1.96 0.00 -1.15 0.00 0.00 33.47 30.86 1wt9 s TRP 83 CO -0.03 -1.65 2.22 0.66 0.02 0.00 0.00 176.95 178.17 1wt9 h SER 84 N -0.97 0.00 -0.32 2.95 4.64 -2.02 -1.35 113.55 116.48 1wt9 h SER 84 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wt9 h SER 84 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1wt9 h SER 84 CO 0.65 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 1wt9 n ASP 85 N -3.24 1.78 0.00 4.97 5.68 -1.26 -4.93 116.55 119.55 1wt9 n ASP 85 Ca -0.02 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1wt9 n ASP 85 Cb 0.16 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1wt9 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wt9 n GLY 86 N 1.05 3.13 3.75 6.12 0.00 -0.51 -5.04 105.19 113.70 1wt9 n GLY 86 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1wt9 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wt9 s SER 87 N -0.75 5.07 0.65 1.61 1.04 -1.26 -4.69 113.70 115.37 1wt9 s SER 87 Ca 0.00 2.26 -0.11 0.00 0.48 0.00 0.00 55.95 58.58 1wt9 s SER 87 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1wt9 s SER 87 CO 0.00 -1.67 1.04 -0.44 0.98 0.00 0.00 173.24 173.16 1wt9 s SER 88 N -1.93 5.83 -0.90 7.02 0.01 -1.26 -1.75 113.70 120.72 1wt9 s SER 88 Ca 0.74 1.53 -0.21 0.00 1.31 0.00 0.00 55.95 59.31 1wt9 s SER 88 Cb -0.27 -2.48 0.09 0.00 0.21 0.00 0.00 66.02 63.57 1wt9 s SER 88 CO 0.36 -1.14 1.19 -0.63 0.41 0.00 0.00 173.24 173.44 1wt9 s ILE 89 N -3.08 4.38 -2.43 1.44 1.01 -1.26 -4.74 121.20 116.51 1wt9 s ILE 89 Ca 0.57 -1.03 0.20 0.00 0.00 0.00 0.00 60.65 60.39 1wt9 s ILE 89 Cb -0.12 -4.85 0.22 0.00 0.01 0.00 0.00 42.46 37.72 1wt9 s ILE 89 CO 0.53 -1.64 1.20 -1.54 0.00 0.00 0.00 174.94 173.49 1wt9 n SER 90 N 7.54 2.85 -3.68 3.58 3.41 -1.26 -4.96 113.62 121.11 1wt9 n SER 90 Ca 0.20 -1.87 -0.14 0.00 -0.26 0.00 0.00 58.87 56.79 1wt9 n SER 90 Cb 0.49 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1wt9 n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1wt9 s TYR 91 N -1.60 -0.46 0.04 7.33 6.14 -1.26 -5.17 117.35 122.37 1wt9 s TYR 91 Ca 0.27 0.94 -0.04 0.00 0.64 0.00 0.00 57.07 58.88 1wt9 s TYR 91 Cb 0.18 0.21 -0.02 0.00 0.42 0.00 0.00 41.96 42.75 1wt9 s TYR 91 CO 0.26 -0.39 0.05 -1.21 0.64 0.00 0.00 175.55 174.91 1wt9 s GLU 92 N -0.60 0.56 -0.38 4.97 2.02 -1.26 -5.08 118.70 118.93 1wt9 s GLU 92 Ca -0.07 -0.84 0.11 0.00 0.02 0.00 0.00 54.97 54.20 1wt9 s GLU 92 Cb -0.03 0.21 0.40 0.00 0.10 0.00 0.00 34.13 34.80 1wt9 s GLU 92 CO 0.04 -0.13 1.15 -1.71 0.02 0.00 0.00 175.26 174.63 1wt9 n ASN 93 N 0.73 -0.77 -4.79 -0.19 5.15 -1.26 -5.14 115.26 108.99 1wt9 n ASN 93 Ca -0.19 -2.77 -0.35 0.00 -0.60 0.00 0.00 54.58 50.68 1wt9 n ASN 93 Cb 0.59 0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 40.37 1wt9 n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1wt9 s TRP 94 N -0.98 3.02 -0.34 1.20 0.52 -1.26 -5.02 118.94 116.09 1wt9 s TRP 94 Ca 0.25 1.59 -0.18 0.00 0.02 0.00 0.00 56.10 57.77 1wt9 s TRP 94 Cb 0.40 -3.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.59 1wt9 s TRP 94 CO -0.05 -0.89 0.53 0.42 0.02 0.00 0.00 176.95 176.99 1wt9 s ILE 95 N -1.87 5.00 0.15 2.03 1.01 -1.26 -4.97 121.20 121.30 1wt9 s ILE 95 Ca 0.66 0.47 -0.13 0.00 0.00 0.00 0.00 60.65 61.65 1wt9 s ILE 95 Cb -0.19 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.47 1wt9 s ILE 95 CO 0.23 -0.18 1.07 -0.62 0.00 0.00 0.00 174.94 175.44 1wt9 n GLU 96 N 5.76 -0.18 0.01 2.79 -0.58 -1.26 0.90 120.64 128.09 1wt9 n GLU 96 Ca -0.04 1.06 0.03 0.00 -0.42 0.00 0.00 57.16 57.79 1wt9 n GLU 96 Cb 0.49 -1.58 0.11 0.00 -0.57 0.00 0.00 31.44 29.90 1wt9 n GLU 96 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wt9 n GLU 97 N -5.01 0.01 0.00 3.49 4.71 -1.26 -1.95 120.64 120.63 1wt9 n GLU 97 Ca 0.07 0.43 0.13 0.00 -0.01 0.00 0.00 57.16 57.78 1wt9 n GLU 97 Cb 0.27 -1.52 0.45 0.00 -1.01 0.00 0.00 31.44 29.62 1wt9 n GLU 97 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wt9 n GLU 98 N -1.54 0.01 -3.16 3.49 -0.58 0.26 -4.51 120.64 114.61 1wt9 n GLU 98 Ca 0.01 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 1wt9 n GLU 98 Cb 0.05 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 1wt9 n GLU 98 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wt9 s SER 99 N -3.04 6.25 -0.74 1.62 0.15 -0.82 -4.99 113.70 112.12 1wt9 s SER 99 Ca 0.13 -0.70 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 1wt9 s SER 99 Cb 0.18 -2.29 0.19 0.00 -1.71 0.00 0.00 66.02 62.39 1wt9 s SER 99 CO 0.61 -0.82 0.60 -0.54 1.20 0.00 0.00 173.24 174.29 1wt9 s LYS 100 N 2.63 2.98 0.00 5.44 1.02 -1.26 -4.38 119.74 126.16 1wt9 s LYS 100 Ca 0.17 -2.72 0.19 0.00 0.02 0.00 0.00 55.97 53.63 1wt9 s LYS 100 Cb -0.17 -3.94 0.34 0.00 -0.52 0.00 0.00 37.83 33.54 1wt9 s LYS 100 CO 0.14 -1.22 1.28 1.63 -0.92 0.00 0.00 175.35 176.26 1wt9 n LYS 101 N 3.28 2.24 -5.14 1.68 5.02 -1.17 -4.28 118.16 119.79 1wt9 n LYS 101 Ca 0.13 -2.06 -0.32 0.00 -2.02 0.00 0.00 58.31 54.04 1wt9 n LYS 101 Cb 0.39 -1.42 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1wt9 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wt9 s LEU 103 N -0.58 4.27 0.23 0.00 1.43 -0.86 0.08 118.68 123.25 1wt9 s LEU 103 Ca 0.08 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.16 1wt9 s LEU 103 Cb -0.11 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.28 1wt9 s LEU 103 CO 0.00 0.08 0.58 -0.83 0.23 0.00 0.00 176.35 176.41 1wt9 s GLY 104 N -3.08 0.05 0.03 -3.19 0.00 -0.81 -2.36 107.32 97.97 1wt9 s GLY 104 Ca 0.34 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.74 1wt9 s GLY 104 CO 0.28 -0.28 -0.18 -1.34 0.00 0.00 0.00 173.10 171.57 1wt9 s VAL 105 N -3.92 2.75 0.14 1.40 -7.23 -0.32 -1.24 120.40 111.98 1wt9 s VAL 105 Ca 0.13 -1.16 0.09 0.00 -1.81 0.00 0.00 61.98 59.23 1wt9 s VAL 105 Cb -0.03 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1wt9 s VAL 105 CO 0.03 0.37 -0.15 -2.28 -0.31 0.00 0.00 175.10 172.76 1wt9 s HIS 106 N -0.89 2.57 0.62 2.82 2.46 -1.26 -1.35 115.29 120.27 1wt9 s HIS 106 Ca 0.14 -0.24 0.35 0.00 0.47 0.00 0.00 55.06 55.78 1wt9 s HIS 106 Cb -0.10 -1.33 2.02 0.00 -0.13 0.00 0.00 32.58 33.03 1wt9 s HIS 106 CO 0.04 0.43 2.26 0.97 -2.47 0.00 0.00 174.74 175.97 1wt9 h ILE 107 N 3.27 0.29 0.00 0.89 2.10 -1.84 -0.20 117.51 122.03 1wt9 h ILE 107 Ca -0.49 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.44 1wt9 h ILE 107 Cb 1.18 0.95 -0.00 0.00 -1.09 0.00 0.00 36.82 37.86 1wt9 h ILE 107 CO 0.49 0.00 -0.04 -0.33 -1.08 0.00 0.00 178.15 177.19 1wt9 h GLU 108 N 0.00 0.00 -0.11 2.19 4.39 -1.95 -1.63 114.58 117.47 1wt9 h GLU 108 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wt9 h GLU 108 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1wt9 h GLU 108 CO -0.00 0.04 0.00 0.25 -1.16 0.00 0.00 179.01 178.14 1wt9 n THR 109 N -3.42 1.87 -1.80 1.13 -2.24 -0.89 -4.93 114.28 103.99 1wt9 n THR 109 Ca -0.02 -1.92 -0.10 0.00 -2.27 0.00 0.00 64.05 59.74 1wt9 n THR 109 Cb 0.17 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1wt9 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wt9 n GLY 110 N -0.89 0.49 2.98 3.38 0.00 -0.61 -3.15 105.19 107.38 1wt9 n GLY 110 Ca 0.16 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1wt9 n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wt9 n PHE 111 N -3.43 -1.96 0.00 1.61 3.72 -0.14 -4.70 117.46 112.57 1wt9 n PHE 111 Ca -0.12 0.74 -0.03 0.00 -0.05 0.00 0.00 57.45 57.99 1wt9 n PHE 111 Cb 0.48 -4.17 -0.01 0.00 -0.94 0.00 0.00 39.48 34.84 1wt9 n PHE 111 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1wt9 n HIS 112 N -3.97 0.00 -2.16 1.38 8.25 -1.19 -4.38 115.22 113.15 1wt9 n HIS 112 Ca -0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.96 1wt9 n HIS 112 Cb 0.58 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1wt9 n HIS 112 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wt9 s LYS 113 N -2.26 4.38 -0.24 -0.41 -0.14 -1.26 -4.97 119.74 114.84 1wt9 s LYS 113 Ca -0.09 2.15 -0.24 0.00 -1.36 0.00 0.00 55.97 56.42 1wt9 s LYS 113 Cb 0.02 -3.13 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 1wt9 s LYS 113 CO 0.13 -0.21 0.82 -1.58 -0.76 0.00 0.00 175.35 173.74 1wt9 s TRP 114 N -0.56 3.31 0.01 3.18 0.51 -1.26 -4.34 118.94 119.79 1wt9 s TRP 114 Ca 0.53 1.11 0.04 0.00 -2.12 0.00 0.00 56.10 55.67 1wt9 s TRP 114 Cb -0.38 -3.04 -0.03 0.00 -0.81 0.00 0.00 33.47 29.20 1wt9 s TRP 114 CO 0.46 -0.40 -0.11 -1.21 -0.51 0.00 0.00 176.95 175.18 1wt9 s GLU 115 N 2.82 2.40 0.04 4.98 2.02 -0.37 -4.93 118.70 125.66 1wt9 s GLU 115 Ca 0.34 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 1wt9 s GLU 115 Cb -0.15 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1wt9 s GLU 115 CO 0.07 0.58 0.97 -0.80 0.02 0.00 0.00 175.26 176.11 1wt9 s ASN 116 N -1.36 7.41 0.07 -0.19 -0.87 -1.26 -1.92 114.94 116.82 1wt9 s ASN 116 Ca 0.16 1.70 0.02 0.00 -1.57 0.00 0.00 52.86 53.17 1wt9 s ASN 116 Cb -0.11 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.51 1wt9 s ASN 116 CO 0.06 -0.19 -0.07 -0.36 -2.57 0.00 0.00 177.10 173.97 1wt9 s PHE 117 N 0.67 0.78 0.00 2.20 0.08 0.11 -4.93 117.98 116.90 1wt9 s PHE 117 Ca 0.50 -0.77 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1wt9 s PHE 117 Cb -0.22 -0.46 -0.07 0.00 -0.57 0.00 0.00 43.02 41.70 1wt9 s PHE 117 CO 0.29 -0.14 1.70 -0.47 -0.10 0.00 0.00 175.22 176.49 1wt9 s TYR 118 N -2.82 2.03 0.56 0.36 5.04 -1.26 -2.34 117.35 118.91 1wt9 s TYR 118 Ca 0.03 0.14 0.26 0.00 -2.44 0.00 0.00 57.07 55.07 1wt9 s TYR 118 Cb -0.00 -3.98 1.48 0.00 0.35 0.00 0.00 41.96 39.81 1wt9 s TYR 118 CO -0.03 -4.11 2.02 0.00 -1.34 0.00 0.00 175.55 172.09 1wt9 n GLU 120 N -4.11 1.75 -2.47 0.00 -0.58 -1.26 -2.15 120.64 111.82 1wt9 n GLU 120 Ca 0.06 -1.15 -0.36 0.00 -0.42 0.00 0.00 57.16 55.29 1wt9 n GLU 120 Cb 0.49 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 30.02 1wt9 n GLU 120 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1wt9 s GLN 121 N -1.65 3.99 -0.26 3.49 0.74 -0.64 -4.79 119.66 120.53 1wt9 s GLN 121 Ca 0.27 1.56 -0.11 0.00 0.05 0.00 0.00 55.36 57.13 1wt9 s GLN 121 Cb 0.14 -2.43 -0.05 0.00 1.10 0.00 0.00 33.01 31.77 1wt9 s GLN 121 CO 0.20 -0.30 0.17 -0.65 -0.55 0.00 0.00 175.29 174.16 1wt9 s GLN 122 N -2.67 3.99 0.18 1.67 -0.21 -1.26 -3.85 119.66 117.50 1wt9 s GLN 122 Ca 0.61 -0.31 -0.12 0.00 0.02 0.00 0.00 55.36 55.56 1wt9 s GLN 122 Cb -0.23 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1wt9 s GLN 122 CO 0.28 -0.08 0.37 -0.51 -2.12 0.00 0.00 175.29 173.23 1wt9 s ASP 123 N 1.46 -0.06 1.14 5.90 1.11 0.09 -4.62 116.67 121.70 1wt9 s ASP 123 Ca 0.07 -0.75 -0.14 0.00 0.18 0.00 0.00 52.55 51.91 1wt9 s ASP 123 Cb -0.15 0.49 0.27 0.00 1.07 0.00 0.00 42.92 44.60 1wt9 s ASP 123 CO 0.08 -0.96 1.05 -2.84 1.18 0.00 0.00 175.17 173.68 1wt9 s PRO 124 N -3.94 -0.75 0.31 8.23 0.02 -1.23 -1.70 135.00 135.93 1wt9 s PRO 124 Ca 0.15 0.56 -0.19 0.00 0.02 0.00 0.00 61.00 61.54 1wt9 s PRO 124 Cb 0.02 -1.60 0.03 0.00 0.02 0.00 0.00 34.50 32.97 1wt9 s PRO 124 CO -0.00 -3.54 0.74 -0.59 -0.33 0.00 0.00 177.00 173.28 1wt9 s PHE 125 N -2.66 -0.09 -0.05 6.54 -0.71 -1.03 -1.34 117.98 118.65 1wt9 s PHE 125 Ca 0.68 -0.44 0.04 0.00 -1.04 0.00 0.00 56.93 56.16 1wt9 s PHE 125 Cb -0.21 0.75 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 1wt9 s PHE 125 CO 0.61 -1.35 -0.16 0.08 -1.34 0.00 0.00 175.22 173.07 1wt9 s VAL 126 N -3.40 1.36 0.07 -2.49 1.01 -1.23 -0.53 120.40 115.18 1wt9 s VAL 126 Ca 0.12 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1wt9 s VAL 126 Cb -0.06 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1wt9 s VAL 126 CO 0.08 0.40 0.08 0.00 0.00 0.00 0.00 175.10 175.66 1wt9 s GLU 128 N -2.35 0.37 0.00 0.00 2.12 0.35 -1.85 118.70 117.33 1wt9 s GLU 128 Ca 0.29 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1wt9 s GLU 128 Cb -0.12 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.05 1wt9 s GLU 128 CO 0.22 0.05 0.00 0.00 -0.54 0.00 0.00 175.26 174.98