#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wt9 s PRO 3 N -2.84 2.03 0.45 0.00 0.04 -1.26 -4.86 135.00 128.57 1wt9 s PRO 3 Ca 0.15 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.17 1wt9 s PRO 3 Cb -0.05 -1.83 1.34 0.00 0.04 0.00 0.00 34.50 34.00 1wt9 s PRO 3 CO 0.06 -1.90 1.71 0.66 0.04 0.00 0.00 177.00 177.56 1wt9 h SER 4 N -0.49 0.27 -0.15 6.66 4.64 -2.04 -0.28 113.55 122.16 1wt9 h SER 4 Ca -0.47 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1wt9 h SER 4 Cb 1.29 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1wt9 h SER 4 CO 0.49 -0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.52 1wt9 n ASP 5 N -4.54 1.10 -4.48 4.97 5.75 -1.26 -4.86 116.55 113.24 1wt9 n ASP 5 Ca 0.31 -1.75 -0.24 0.00 -0.01 0.00 0.00 54.79 53.09 1wt9 n ASP 5 Cb 1.21 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 41.10 1wt9 n ASP 5 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1wt9 s TRP 6 N -1.81 2.29 -0.06 2.11 0.52 -0.12 -4.88 118.94 117.00 1wt9 s TRP 6 Ca 0.25 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.02 1wt9 s TRP 6 Cb 0.13 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 1wt9 s TRP 6 CO 0.19 0.68 -0.11 -1.12 0.02 0.00 0.00 176.95 176.61 1wt9 s SER 7 N -3.52 4.26 0.13 2.95 0.01 0.02 -4.74 113.70 112.79 1wt9 s SER 7 Ca 0.30 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.40 1wt9 s SER 7 Cb -0.04 -1.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.13 1wt9 s SER 7 CO 0.15 0.34 0.32 -0.94 0.41 0.00 0.00 173.24 173.52 1wt9 s SER 8 N -0.69 6.42 -0.30 2.44 1.04 -1.26 -0.62 113.70 120.74 1wt9 s SER 8 Ca 0.10 0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.84 1wt9 s SER 8 Cb -0.11 -2.03 0.14 0.00 0.10 0.00 0.00 66.02 64.12 1wt9 s SER 8 CO 0.01 0.07 0.81 -0.47 0.98 0.00 0.00 173.24 174.64 1wt9 s TYR 9 N -1.65 -1.00 -1.50 5.02 5.04 -0.29 -4.98 117.35 118.00 1wt9 s TYR 9 Ca 0.38 1.78 -0.04 0.00 -2.44 0.00 0.00 57.07 56.76 1wt9 s TYR 9 Cb -0.12 0.60 0.03 0.00 0.35 0.00 0.00 41.96 42.82 1wt9 s TYR 9 CO 0.27 -0.50 0.40 0.39 -1.34 0.00 0.00 175.55 174.77 1wt9 n GLU 10 N 4.98 -2.74 -1.05 4.97 -0.58 -1.26 -0.88 120.64 124.08 1wt9 n GLU 10 Ca -0.13 0.33 -0.02 0.00 -0.42 0.00 0.00 57.16 56.93 1wt9 n GLU 10 Cb 0.52 -4.44 -0.01 0.00 -0.57 0.00 0.00 31.44 26.95 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 -1.99 0.45 3.42 0.62 0.00 -1.26 -5.01 105.19 101.43 1wt9 n GLY 11 Ca -0.24 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.78 2.06 -0.08 1.61 3.76 -0.06 -1.71 115.29 119.10 1wt9 s HIS 12 Ca 0.00 -0.43 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 1wt9 s HIS 12 Cb 0.00 -0.92 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 1wt9 s HIS 12 CO 0.00 0.57 -0.24 0.00 -0.85 0.00 0.00 174.74 174.22 1wt9 s TYR 14 N 0.03 1.70 -0.23 0.00 1.51 0.21 -1.59 117.35 118.98 1wt9 s TYR 14 Ca -0.09 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1wt9 s TYR 14 Cb -0.15 -0.94 0.09 0.00 -0.11 0.00 0.00 41.96 40.85 1wt9 s TYR 14 CO 0.06 0.17 0.51 0.21 -1.11 0.00 0.00 175.55 175.38 1wt9 s LYS 15 N -1.76 0.44 0.44 -0.62 2.20 -0.57 -0.80 119.74 119.07 1wt9 s LYS 15 Ca 0.05 1.12 -0.10 0.00 -0.36 0.00 0.00 55.97 56.69 1wt9 s LYS 15 Cb -0.10 0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 36.55 1wt9 s LYS 15 CO 0.04 -0.21 0.81 -2.14 -0.36 0.00 0.00 175.35 173.48 1wt9 s PRO 16 N 2.37 3.73 0.02 4.03 0.02 -1.26 -0.67 135.00 143.23 1wt9 s PRO 16 Ca -0.05 0.47 0.01 0.00 0.02 0.00 0.00 61.00 61.44 1wt9 s PRO 16 Cb -0.11 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 1wt9 s PRO 16 CO -0.15 -0.12 -0.04 -0.06 -0.33 0.00 0.00 177.00 176.30 1wt9 s PHE 17 N -2.52 0.34 -0.20 6.54 0.40 -0.30 -4.94 117.98 117.30 1wt9 s PHE 17 Ca 0.51 -0.36 0.15 0.00 -0.60 0.00 0.00 56.93 56.63 1wt9 s PHE 17 Cb -0.10 -0.22 0.44 0.00 0.51 0.00 0.00 43.02 43.64 1wt9 s PHE 17 CO 0.36 -0.10 1.32 0.27 0.70 0.00 0.00 175.22 177.77 1wt9 n ASN 18 N 2.04 2.74 -4.42 1.36 6.94 -1.26 -3.03 115.26 119.63 1wt9 n ASN 18 Ca -0.20 -3.37 -0.44 0.00 -0.02 0.00 0.00 54.58 50.56 1wt9 n ASN 18 Cb 0.56 -0.53 -0.04 0.00 -2.36 0.00 0.00 39.78 37.41 1wt9 n ASN 18 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1wt9 s GLU 19 N -3.01 3.09 -0.18 -3.83 2.02 -1.26 -4.96 118.70 110.57 1wt9 s GLU 19 Ca 0.39 -1.03 -0.36 0.00 0.02 0.00 0.00 54.97 53.99 1wt9 s GLU 19 Cb 0.34 -4.23 -0.13 0.00 0.10 0.00 0.00 34.13 30.22 1wt9 s GLU 19 CO 0.02 -1.64 1.87 -0.35 0.02 0.00 0.00 175.26 175.19 1wt9 n PRO 20 N 6.98 1.74 -3.94 0.39 -0.04 -1.26 -4.82 135.00 134.06 1wt9 n PRO 20 Ca -0.06 0.63 -0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1wt9 n PRO 20 Cb 0.44 -2.46 -0.09 0.00 -0.04 0.00 0.00 33.50 31.35 1wt9 n PRO 20 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1wt9 s LYS 21 N 4.14 0.67 0.93 0.54 1.02 -0.86 -4.81 119.74 121.37 1wt9 s LYS 21 Ca 0.96 -0.90 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 1wt9 s LYS 21 Cb -0.83 0.26 0.15 0.00 -0.52 0.00 0.00 37.83 36.90 1wt9 s LYS 21 CO 0.56 -0.18 1.17 0.54 -0.92 0.00 0.00 175.35 176.52 1wt9 s ASN 22 N -2.50 3.36 0.12 2.83 2.20 -1.25 -1.93 114.94 117.77 1wt9 s ASN 22 Ca 0.00 0.81 -0.27 0.00 -0.94 0.00 0.00 52.86 52.47 1wt9 s ASN 22 Cb 0.02 -1.28 -0.06 0.00 -2.00 0.00 0.00 41.25 37.94 1wt9 s ASN 22 CO -0.07 -2.63 1.62 -0.25 -2.94 0.00 0.00 177.10 172.82 1wt9 h TRP 23 N -1.56 -0.87 -0.55 1.54 7.01 -1.66 -1.00 115.95 118.86 1wt9 h TRP 23 Ca -0.49 0.03 0.08 0.00 2.11 0.00 0.00 58.89 60.62 1wt9 h TRP 23 Cb 1.32 0.38 -0.06 0.00 -2.10 0.00 0.00 29.16 28.69 1wt9 h TRP 23 CO -0.12 -0.41 0.21 0.00 -2.79 0.00 0.00 178.44 175.33 1wt9 h ALA 24 N 0.26 0.70 -0.52 2.65 0.00 -1.93 -1.29 119.26 119.12 1wt9 h ALA 24 Ca 0.06 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1wt9 h ALA 24 Cb 0.55 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1wt9 h ALA 24 CO -0.26 -0.19 0.01 -0.44 0.00 0.00 0.00 179.25 178.36 1wt9 h ASP 25 N 0.39 0.84 0.06 0.00 3.32 -1.87 -2.20 116.42 116.96 1wt9 h ASP 25 Ca 0.27 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1wt9 h ASP 25 Cb 0.31 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1wt9 h ASP 25 CO -0.27 0.90 -0.03 0.00 -1.72 0.00 0.00 179.24 178.12 1wt9 h ALA 26 N 1.19 -0.08 0.05 3.45 0.00 -0.39 -0.10 119.26 123.38 1wt9 h ALA 26 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wt9 h ALA 26 Cb 0.47 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1wt9 h ALA 26 CO 0.02 -0.49 -0.21 1.49 0.00 0.00 0.00 179.25 180.06 1wt9 h GLU 27 N -0.20 -0.35 -1.01 0.00 4.57 -1.19 0.39 114.58 116.79 1wt9 h GLU 27 Ca -0.01 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 1wt9 h GLU 27 Cb 0.17 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 1wt9 h GLU 27 CO 0.01 -0.23 0.64 -0.97 -1.18 0.00 0.00 179.01 177.28 1wt9 h ASN 28 N -0.36 0.98 -0.29 1.04 -1.24 -1.33 -1.29 115.58 113.08 1wt9 h ASN 28 Ca 0.05 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1wt9 h ASN 28 Cb 0.42 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1wt9 h ASN 28 CO -0.16 0.57 0.14 0.15 -1.29 0.00 0.00 177.43 176.84 1wt9 h PHE 29 N 1.08 0.41 -0.80 0.67 3.57 -0.17 -2.95 116.94 118.74 1wt9 h PHE 29 Ca 0.47 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.02 1wt9 h PHE 29 Cb 0.35 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1wt9 h PHE 29 CO -0.00 0.36 0.48 0.00 -2.23 0.00 0.00 178.31 176.92 1wt9 h THR 31 N 0.85 0.69 -0.00 0.00 1.35 -1.24 -1.43 112.91 113.13 1wt9 h THR 31 Ca 0.36 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1wt9 h THR 31 Cb 0.22 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1wt9 h THR 31 CO -0.19 0.01 -0.26 0.00 -0.25 0.00 0.00 175.52 174.83 1wt9 n GLN 32 N -4.06 0.34 0.09 4.72 6.02 -0.70 -3.97 117.38 119.81 1wt9 n GLN 32 Ca -0.03 -0.15 -0.03 0.00 -0.01 0.00 0.00 57.00 56.78 1wt9 n GLN 32 Cb 0.10 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 1wt9 n GLN 32 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1wt9 h GLN 33 N 0.37 0.00 -1.80 -1.09 1.08 -1.13 -3.48 115.11 109.07 1wt9 h GLN 33 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1wt9 h GLN 33 Cb 0.46 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.70 1wt9 h GLN 33 CO 0.00 0.74 0.59 -1.58 -0.95 0.00 0.00 178.83 177.63 1wt9 s HIS 34 N -2.82 -0.30 0.29 2.96 2.46 -1.25 -5.07 115.29 111.56 1wt9 s HIS 34 Ca 0.02 0.35 -0.29 0.00 0.47 0.00 0.00 55.06 55.60 1wt9 s HIS 34 Cb 0.09 0.50 -0.10 0.00 -0.13 0.00 0.00 32.58 32.94 1wt9 s HIS 34 CO 0.79 -0.38 1.26 0.95 -2.47 0.00 0.00 174.74 174.88 1wt9 s THR 35 N -2.11 3.01 0.00 0.89 -4.23 -1.26 -2.26 115.64 109.68 1wt9 s THR 35 Ca 0.03 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 1wt9 s THR 35 Cb -0.01 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1wt9 s THR 35 CO -0.04 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1wt9 n GLY 36 N 1.22 1.34 3.74 3.99 0.00 -1.26 -4.86 105.19 109.37 1wt9 n GLY 36 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1wt9 n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wt9 s SER 37 N -3.18 7.40 0.34 1.61 0.15 -0.96 -4.50 113.70 114.57 1wt9 s SER 37 Ca 0.00 2.05 -0.03 0.00 0.70 0.00 0.00 55.95 58.68 1wt9 s SER 37 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1wt9 s SER 37 CO 0.00 -0.08 0.48 -1.00 1.20 0.00 0.00 173.24 173.83 1wt9 s HIS 38 N -0.66 1.05 0.50 3.44 0.09 -0.47 -3.02 115.29 116.22 1wt9 s HIS 38 Ca 0.46 -1.28 -0.22 0.00 -0.00 0.00 0.00 55.06 54.01 1wt9 s HIS 38 Cb -0.28 -0.07 -0.06 0.00 -0.00 0.00 0.00 32.58 32.16 1wt9 s HIS 38 CO 0.35 -1.14 1.24 -0.51 -0.00 0.00 0.00 174.74 174.68 1wt9 s LEU 39 N -3.23 3.92 0.52 0.89 1.43 -1.26 -0.36 118.68 120.59 1wt9 s LEU 39 Ca 0.30 2.49 -0.21 0.00 -1.03 0.00 0.00 54.13 55.67 1wt9 s LEU 39 Cb -0.00 -4.28 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 1wt9 s LEU 39 CO 0.20 -1.22 1.06 0.55 0.23 0.00 0.00 176.35 177.17 1wt9 n VAL 40 N -0.78 3.18 -4.65 -1.59 3.14 0.15 -4.32 118.33 113.47 1wt9 n VAL 40 Ca 0.09 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.72 1wt9 n VAL 40 Cb 0.47 -1.26 -0.14 0.00 -1.06 0.00 0.00 33.84 31.84 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 -0.97 2.26 -0.26 6.55 1.04 -1.26 -0.37 113.70 120.69 1wt9 s SER 41 Ca 0.70 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.63 1wt9 s SER 41 Cb -0.47 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.48 1wt9 s SER 41 CO 0.52 0.15 -0.02 -0.36 0.98 0.00 0.00 173.24 174.51 1wt9 s PHE 42 N -0.72 3.09 -1.58 5.02 2.99 -1.26 -4.94 117.98 120.57 1wt9 s PHE 42 Ca 0.06 -1.37 0.20 0.00 0.00 0.00 0.00 56.93 55.82 1wt9 s PHE 42 Cb -0.08 -2.12 -0.07 0.00 0.00 0.00 0.00 43.02 40.75 1wt9 s PHE 42 CO 0.01 -0.68 0.96 1.04 -0.00 0.00 0.00 175.22 176.55 1wt9 n GLN 43 N 4.73 1.10 -3.81 0.44 3.00 -1.26 -5.02 117.38 116.55 1wt9 n GLN 43 Ca -0.16 -0.65 -0.06 0.00 -0.01 0.00 0.00 57.00 56.12 1wt9 n GLN 43 Cb 0.47 -1.42 -0.02 0.00 0.00 0.00 0.00 30.24 29.27 1wt9 n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1wt9 s SER 44 N -2.48 -0.23 0.17 1.08 1.04 -1.26 -5.05 113.70 106.96 1wt9 s SER 44 Ca 0.14 -0.52 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 1wt9 s SER 44 Cb 0.16 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.95 1wt9 s SER 44 CO 0.61 -1.17 1.46 0.74 0.98 0.00 0.00 173.24 175.87 1wt9 h THR 45 N 2.00 1.31 -0.57 2.02 2.02 -1.99 -2.62 112.91 115.08 1wt9 h THR 45 Ca -0.21 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.12 1wt9 h THR 45 Cb 1.24 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1wt9 h THR 45 CO 0.24 0.57 0.18 -0.33 0.37 0.00 0.00 175.52 176.55 1wt9 h GLU 46 N 0.50 0.89 -0.59 6.66 3.07 -1.99 -0.50 114.58 122.61 1wt9 h GLU 46 Ca 0.01 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 1wt9 h GLU 46 Cb 1.14 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.89 1wt9 h GLU 46 CO 0.11 0.80 0.21 1.49 -1.40 0.00 0.00 179.01 180.23 1wt9 h GLU 47 N 0.81 0.90 -0.16 2.33 4.81 -1.96 -1.58 114.58 119.73 1wt9 h GLU 47 Ca 0.18 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1wt9 h GLU 47 Cb 0.29 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1wt9 h GLU 47 CO -0.01 0.79 0.10 0.00 -0.73 0.00 0.00 179.01 179.17 1wt9 h ALA 48 N 1.07 0.20 -0.89 2.92 0.00 -1.12 -1.56 119.26 119.88 1wt9 h ALA 48 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1wt9 h ALA 48 Cb 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wt9 h ALA 48 CO -0.01 -0.32 0.50 -0.44 0.00 0.00 0.00 179.25 178.98 1wt9 h ASP 49 N 0.21 1.10 0.61 0.00 3.32 -0.94 -1.15 116.42 119.57 1wt9 h ASP 49 Ca 0.06 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1wt9 h ASP 49 Cb -0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1wt9 h ASP 49 CO -0.02 0.87 -0.43 0.15 -1.72 0.00 0.00 179.24 178.09 1wt9 h PHE 50 N 1.24 -1.15 -0.92 4.55 3.57 -0.92 -1.26 116.94 122.05 1wt9 h PHE 50 Ca 0.32 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.86 1wt9 h PHE 50 Cb 0.00 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1wt9 h PHE 50 CO 0.01 -0.63 0.60 0.28 -2.23 0.00 0.00 178.31 176.34 1wt9 h VAL 51 N -1.00 1.10 -0.30 1.41 2.07 -1.14 -0.40 116.25 117.99 1wt9 h VAL 51 Ca -0.07 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1wt9 h VAL 51 Cb 0.83 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1wt9 h VAL 51 CO 0.04 0.20 0.09 0.58 0.02 0.00 0.00 177.57 178.50 1wt9 h VAL 52 N 1.09 1.20 -0.44 2.57 2.07 -1.03 -0.38 116.25 121.33 1wt9 h VAL 52 Ca 0.39 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1wt9 h VAL 52 Cb 0.13 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1wt9 h VAL 52 CO -0.14 0.22 0.26 0.11 0.02 0.00 0.00 177.57 178.04 1wt9 h LYS 53 N 0.32 0.60 -0.30 1.57 6.56 -0.76 -1.25 116.57 123.32 1wt9 h LYS 53 Ca 0.10 -0.06 0.05 0.00 -1.06 0.00 0.00 60.65 59.67 1wt9 h LYS 53 Cb 0.25 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 1wt9 h LYS 53 CO -0.00 0.46 0.04 1.25 -2.06 0.00 0.00 179.45 179.13 1wt9 h LEU 54 N 0.58 -0.04 -0.44 2.94 5.85 -0.85 -0.72 115.31 122.63 1wt9 h LEU 54 Ca 0.16 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1wt9 h LEU 54 Cb 0.02 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1wt9 h LEU 54 CO -0.03 0.02 0.17 0.00 -0.34 0.00 0.00 178.44 178.26 1wt9 h ALA 55 N 1.24 0.57 0.18 1.25 0.00 -0.82 -2.64 119.26 119.04 1wt9 h ALA 55 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wt9 h ALA 55 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wt9 h ALA 55 CO -0.21 0.18 -0.09 0.35 0.00 0.00 0.00 179.25 179.49 1wt9 h PHE 56 N 0.57 -0.23 0.00 0.00 3.57 -0.96 0.63 116.94 120.52 1wt9 h PHE 56 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1wt9 h PHE 56 Cb 0.20 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1wt9 h PHE 56 CO 0.00 0.01 0.00 1.96 -2.23 0.00 0.00 178.31 178.05 1wt9 h GLN 57 N -0.43 0.00 0.02 1.11 4.20 -1.16 1.22 115.11 120.08 1wt9 h GLN 57 Ca -0.02 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.30 1wt9 h GLN 57 Cb 0.33 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1wt9 h GLN 57 CO 0.04 0.00 -2.19 2.41 -0.67 0.00 0.00 178.83 178.42 1wt9 n THR 58 N -2.87 1.56 -0.49 -0.54 -1.04 -1.00 -4.74 114.28 105.16 1wt9 n THR 58 Ca -0.02 -0.42 0.02 0.00 -2.04 0.00 0.00 64.05 61.59 1wt9 n THR 58 Cb 0.10 -1.75 0.03 0.00 -1.82 0.00 0.00 70.33 66.88 1wt9 n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1wt9 n PHE 59 N -3.87 0.00 -3.20 -1.42 3.01 0.19 -5.10 117.46 107.07 1wt9 n PHE 59 Ca -0.44 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.53 1wt9 n PHE 59 Cb 0.91 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 1wt9 n PHE 59 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wt9 n ASP 60 N -0.57 0.00 -4.64 4.37 8.00 0.42 -4.73 116.55 119.40 1wt9 n ASP 60 Ca 0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 1wt9 n ASP 60 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1wt9 n ASP 60 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1wt9 s TYR 61 N 0.00 1.32 0.00 1.24 5.04 -1.26 -4.24 117.35 119.45 1wt9 s TYR 61 Ca 0.00 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1wt9 s TYR 61 Cb 0.00 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.19 1wt9 s TYR 61 CO 0.00 -4.92 0.00 0.41 -1.34 0.00 0.00 175.55 169.70 1wt9 n GLY 62 N 4.90 0.85 3.75 8.97 0.00 -1.26 -5.02 105.19 117.39 1wt9 n GLY 62 Ca 0.23 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1wt9 n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wt9 s ILE 63 N -2.00 4.83 -0.08 -0.61 -4.36 -1.26 -2.12 121.20 115.60 1wt9 s ILE 63 Ca 0.00 -0.05 0.03 0.00 -0.26 0.00 0.00 60.65 60.37 1wt9 s ILE 63 Cb 0.00 -3.08 0.01 0.00 1.25 0.00 0.00 42.46 40.64 1wt9 s ILE 63 CO 0.00 0.60 -0.16 -0.36 0.24 0.00 0.00 174.94 175.25 1wt9 s PHE 64 N -0.81 1.83 0.60 1.37 0.40 -0.13 -1.15 117.98 120.09 1wt9 s PHE 64 Ca 0.13 -0.70 -0.19 0.00 -0.60 0.00 0.00 56.93 55.56 1wt9 s PHE 64 Cb -0.12 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1wt9 s PHE 64 CO 0.03 -0.32 1.28 -1.58 0.70 0.00 0.00 175.22 175.32 1wt9 s TRP 65 N 0.54 2.25 0.22 0.36 0.23 0.80 -1.84 118.94 121.50 1wt9 s TRP 65 Ca -0.16 1.47 0.10 0.00 -2.03 0.00 0.00 56.10 55.48 1wt9 s TRP 65 Cb -0.16 -3.64 -0.05 0.00 0.03 0.00 0.00 33.47 29.65 1wt9 s TRP 65 CO 0.05 -2.64 -0.18 1.41 0.96 0.00 0.00 176.95 176.55 1wt9 s MET 66 N -3.23 1.45 0.00 4.98 1.75 -0.61 -3.98 119.30 119.66 1wt9 s MET 66 Ca 0.78 -1.59 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 1wt9 s MET 66 Cb -0.36 -1.48 0.00 0.00 2.84 0.00 0.00 34.83 35.84 1wt9 s MET 66 CO 0.39 0.28 1.06 0.41 -0.65 0.00 0.00 175.02 176.51 1wt9 n GLY 67 N -0.19 1.60 3.12 2.11 0.00 0.50 -4.65 105.19 107.68 1wt9 n GLY 67 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1wt9 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wt9 s LEU 68 N 0.00 1.91 0.11 0.99 2.96 -1.26 -4.99 118.68 118.40 1wt9 s LEU 68 Ca 0.00 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1wt9 s LEU 68 Cb 0.00 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1wt9 s LEU 68 CO 0.00 0.06 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.12 1wt9 s SER 69 N 0.84 0.88 -1.58 3.68 1.04 -1.26 -2.08 113.70 115.22 1wt9 s SER 69 Ca -0.08 -1.08 -0.08 0.00 0.48 0.00 0.00 55.95 55.18 1wt9 s SER 69 Cb -0.15 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.20 1wt9 s SER 69 CO -0.00 -0.56 0.47 0.29 0.98 0.00 0.00 173.24 174.41 1wt9 n LYS 70 N -0.07 -2.52 0.24 4.02 5.02 -0.55 -4.83 118.16 119.48 1wt9 n LYS 70 Ca -0.10 0.30 0.16 0.00 -2.02 0.00 0.00 58.31 56.65 1wt9 n LYS 70 Cb 0.62 -4.53 0.84 0.00 -0.02 0.00 0.00 35.03 31.93 1wt9 n LYS 70 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1wt9 h ILE 71 N -1.63 0.55 0.00 -0.18 -0.00 -1.75 -2.96 117.51 111.55 1wt9 h ILE 71 Ca -0.62 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.24 1wt9 h ILE 71 Cb 1.38 0.91 0.00 0.00 -0.00 0.00 0.00 36.82 39.11 1wt9 h ILE 71 CO 0.72 0.00 0.00 0.79 -0.00 0.00 0.00 178.15 179.66 1wt9 n TRP 72 N -3.91 0.00 -0.09 0.16 8.01 -1.26 -4.76 117.44 115.58 1wt9 n TRP 72 Ca -0.00 -0.26 0.02 0.00 -1.31 0.00 0.00 57.50 55.95 1wt9 n TRP 72 Cb 0.22 -0.03 0.34 0.00 -2.01 0.00 0.00 31.31 29.84 1wt9 n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1wt9 h ASN 73 N 0.00 0.64 -0.59 -0.99 4.21 -1.86 -2.17 115.58 114.82 1wt9 h ASN 73 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1wt9 h ASN 73 Cb 0.35 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1wt9 h ASN 73 CO 0.00 0.47 0.00 0.00 -1.29 0.00 0.00 177.43 176.61 1wt9 n GLN 74 N -4.45 3.70 -1.52 0.81 6.02 -1.26 -4.96 117.38 115.72 1wt9 n GLN 74 Ca 0.05 -2.68 -0.30 0.00 -0.01 0.00 0.00 57.00 54.07 1wt9 n GLN 74 Cb 0.05 -1.91 0.10 0.00 1.02 0.00 0.00 30.24 29.50 1wt9 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wt9 s ASN 76 N -3.89 7.04 -0.13 0.00 3.04 -1.26 -4.99 114.94 114.76 1wt9 s ASN 76 Ca 0.62 -2.94 -0.29 0.00 0.04 0.00 0.00 52.86 50.28 1wt9 s ASN 76 Cb -0.15 -2.39 -0.02 0.00 -1.54 0.00 0.00 41.25 37.15 1wt9 s ASN 76 CO 0.54 -0.75 1.19 0.26 -3.04 0.00 0.00 177.10 175.30 1wt9 s TRP 77 N 1.53 3.10 0.02 0.43 0.52 -1.26 -5.03 118.94 118.26 1wt9 s TRP 77 Ca 0.41 1.20 0.00 0.00 0.02 0.00 0.00 56.10 57.74 1wt9 s TRP 77 Cb -0.03 -3.41 -0.02 0.00 -1.15 0.00 0.00 33.47 28.86 1wt9 s TRP 77 CO -0.01 -1.25 -0.03 -0.65 0.02 0.00 0.00 176.95 175.02 1wt9 s GLN 78 N 2.83 0.29 0.26 4.98 -1.52 -1.26 -4.92 119.66 120.33 1wt9 s GLN 78 Ca 0.53 -0.48 -0.29 0.00 -1.95 0.00 0.00 55.36 53.17 1wt9 s GLN 78 Cb -0.22 -0.02 -0.09 0.00 -0.22 0.00 0.00 33.01 32.46 1wt9 s GLN 78 CO 0.17 -0.01 0.96 -1.58 -0.25 0.00 0.00 175.29 174.58 1wt9 s TRP 79 N -1.06 3.86 -0.28 0.91 0.52 -1.26 -4.93 118.94 116.71 1wt9 s TRP 79 Ca -0.10 1.86 0.25 0.00 0.02 0.00 0.00 56.10 58.13 1wt9 s TRP 79 Cb -0.07 -3.01 1.15 0.00 -1.15 0.00 0.00 33.47 30.39 1wt9 s TRP 79 CO -0.00 0.26 1.77 0.66 0.02 0.00 0.00 176.95 179.65 1wt9 h SER 80 N 3.88 0.00 -0.53 2.95 4.64 -2.01 -1.28 113.55 121.21 1wt9 h SER 80 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wt9 h SER 80 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wt9 h SER 80 CO 0.67 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.17 1wt9 n ASN 81 N -2.39 3.85 0.00 4.97 6.94 -1.26 -4.91 115.26 122.46 1wt9 n ASN 81 Ca 0.01 -2.33 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1wt9 n ASN 81 Cb 0.18 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 1wt9 n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wt9 n ALA 82 N 0.89 0.00 -1.75 -2.53 0.00 -0.48 -4.98 120.51 111.66 1wt9 n ALA 82 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 1wt9 n ALA 82 Cb 0.72 -0.88 0.03 0.00 0.00 0.00 0.00 19.45 19.32 1wt9 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wt9 s ALA 83 N -1.53 2.61 0.23 0.00 0.00 -1.26 -4.92 121.76 116.88 1wt9 s ALA 83 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1wt9 s ALA 83 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1wt9 s ALA 83 CO 0.00 -1.13 1.23 1.41 0.00 0.00 0.00 175.76 177.27 1wt9 s MET 84 N -3.23 4.47 -0.59 0.00 -2.45 -1.26 -4.18 119.30 112.06 1wt9 s MET 84 Ca 0.76 1.96 -0.25 0.00 -1.25 0.00 0.00 55.69 56.91 1wt9 s MET 84 Cb -0.31 -3.19 0.04 0.00 1.25 0.00 0.00 34.83 32.62 1wt9 s MET 84 CO 0.34 -0.10 1.01 -1.17 1.05 0.00 0.00 175.02 176.16 1wt9 s LEU 85 N -0.65 3.98 0.03 4.11 2.96 -1.26 -4.77 118.68 123.08 1wt9 s LEU 85 Ca 0.52 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1wt9 s LEU 85 Cb -0.35 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1wt9 s LEU 85 CO 0.40 -1.36 0.00 0.29 -1.32 0.00 0.00 176.35 174.36 1wt9 n LYS 86 N 7.82 0.00 -2.07 1.98 4.76 -1.26 -5.03 118.16 124.35 1wt9 n LYS 86 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1wt9 n LYS 86 Cb 0.47 -0.10 -0.03 0.00 -1.84 0.00 0.00 35.03 33.54 1wt9 n LYS 86 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1wt9 s TYR 87 N -1.24 3.11 0.05 2.13 5.04 -1.26 -5.01 117.35 120.18 1wt9 s TYR 87 Ca 0.00 1.02 -0.02 0.00 -2.44 0.00 0.00 57.07 55.63 1wt9 s TYR 87 Cb 0.00 -3.76 -0.03 0.00 0.35 0.00 0.00 41.96 38.52 1wt9 s TYR 87 CO 0.00 -2.52 0.00 0.95 -1.34 0.00 0.00 175.55 172.64 1wt9 s THR 88 N 0.30 0.20 -0.44 4.34 -4.23 -1.26 -5.08 115.64 109.48 1wt9 s THR 88 Ca 0.61 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 1wt9 s THR 88 Cb -0.40 -1.45 0.32 0.00 1.34 0.00 0.00 72.50 72.31 1wt9 s THR 88 CO 0.39 -0.93 1.01 -0.67 -0.54 0.00 0.00 174.62 173.88 1wt9 n ASP 89 N 0.13 -1.54 -4.75 3.99 2.03 -1.26 -5.13 116.55 110.01 1wt9 n ASP 89 Ca -0.14 -3.51 -0.41 0.00 0.52 0.00 0.00 54.79 51.25 1wt9 n ASP 89 Cb 0.61 1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 42.25 1wt9 n ASP 89 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1wt9 s TRP 90 N -0.41 3.11 0.13 -0.67 0.52 -1.26 -4.92 118.94 115.44 1wt9 s TRP 90 Ca 0.27 1.20 -0.06 0.00 0.02 0.00 0.00 56.10 57.54 1wt9 s TRP 90 Cb 0.30 -3.70 -0.09 0.00 -1.15 0.00 0.00 33.47 28.83 1wt9 s TRP 90 CO -0.07 -2.16 1.31 0.00 0.02 0.00 0.00 176.95 176.06 1wt9 h ALA 91 N 4.67 0.37 -3.81 0.98 0.00 -2.04 -3.43 119.26 116.00 1wt9 h ALA 91 Ca -0.46 -0.68 -0.51 0.00 0.00 0.00 0.00 54.91 53.25 1wt9 h ALA 91 Cb 1.22 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 1wt9 h ALA 91 CO 0.74 0.77 -0.82 -1.21 0.00 0.00 0.00 179.25 178.74 1wt9 s GLU 92 N -3.39 1.51 0.01 0.00 0.41 -1.26 -5.05 118.70 110.93 1wt9 s GLU 92 Ca -0.07 -0.49 -0.20 0.00 -0.41 0.00 0.00 54.97 53.81 1wt9 s GLU 92 Cb 0.09 -1.33 -0.23 0.00 -1.78 0.00 0.00 34.13 30.88 1wt9 s GLU 92 CO 0.87 0.17 1.10 1.49 -0.49 0.00 0.00 175.26 178.41 1wt9 h GLU 93 N 6.39 0.41 -3.84 1.61 4.81 -2.02 -3.47 114.58 118.46 1wt9 h GLU 93 Ca -0.33 -0.43 -0.17 0.00 -0.13 0.00 0.00 59.36 58.30 1wt9 h GLU 93 Cb 1.17 0.12 -0.22 0.00 0.63 0.00 0.00 28.75 30.46 1wt9 h GLU 93 CO 0.48 1.10 -0.66 -1.12 -0.73 0.00 0.00 179.01 178.08 1wt9 s SER 94 N -6.74 0.16 0.05 1.04 0.01 -1.26 -4.88 113.70 102.08 1wt9 s SER 94 Ca -0.13 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 56.84 1wt9 s SER 94 Cb 0.04 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 1wt9 s SER 94 CO 0.82 -0.27 -0.14 -0.31 0.41 0.00 0.00 173.24 173.76 1wt9 s TYR 95 N -1.21 2.67 0.19 2.43 1.51 -1.26 -1.71 117.35 119.96 1wt9 s TYR 95 Ca -0.13 -0.19 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1wt9 s TYR 95 Cb -0.08 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 1wt9 s TYR 95 CO -0.00 0.33 -0.12 0.00 -1.11 0.00 0.00 175.55 174.65 1wt9 s VAL 97 N -3.14 5.01 0.26 0.00 1.01 -0.88 -1.58 120.40 121.07 1wt9 s VAL 97 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1wt9 s VAL 97 Cb 0.01 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1wt9 s VAL 97 CO 0.05 0.57 0.17 -0.72 0.00 0.00 0.00 175.10 175.17 1wt9 s TYR 98 N -0.58 1.42 0.05 5.22 -0.85 0.03 -1.57 117.35 121.06 1wt9 s TYR 98 Ca 0.11 -1.45 -0.02 0.00 -0.52 0.00 0.00 57.07 55.19 1wt9 s TYR 98 Cb -0.12 -0.67 -0.03 0.00 0.38 0.00 0.00 41.96 41.52 1wt9 s TYR 98 CO 0.02 -0.67 0.01 -0.59 -1.52 0.00 0.00 175.55 172.80 1wt9 s PHE 99 N -3.85 0.40 -0.04 -3.49 -0.71 -0.77 -0.81 117.98 108.70 1wt9 s PHE 99 Ca 0.39 -0.85 -0.06 0.00 -1.04 0.00 0.00 56.93 55.36 1wt9 s PHE 99 Cb 0.05 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1wt9 s PHE 99 CO 0.17 -0.36 0.21 0.15 -1.34 0.00 0.00 175.22 174.05 1wt9 s LYS 100 N -3.29 3.51 0.00 1.99 1.02 -1.26 -0.95 119.74 120.77 1wt9 s LYS 100 Ca 0.01 -0.13 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1wt9 s LYS 100 Cb 0.03 -3.13 0.14 0.00 -0.52 0.00 0.00 37.83 34.35 1wt9 s LYS 100 CO -0.08 0.70 0.44 -1.13 -0.92 0.00 0.00 175.35 174.37 1wt9 n SER 101 N 1.41 0.00 -0.00 2.83 3.41 -0.90 -1.88 113.62 118.48 1wt9 n SER 101 Ca -0.14 -0.31 0.08 0.00 -0.26 0.00 0.00 58.87 58.24 1wt9 n SER 101 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1wt9 n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wt9 n THR 102 N -0.69 0.00 -3.51 6.66 -2.24 -1.26 -4.38 114.28 108.86 1wt9 n THR 102 Ca 0.02 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 1wt9 n THR 102 Cb 0.01 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1wt9 n THR 102 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wt9 s ASN 103 N -3.02 -0.42 0.00 3.42 4.22 -0.79 -5.05 114.94 113.30 1wt9 s ASN 103 Ca 0.03 0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.91 1wt9 s ASN 103 Cb 0.13 0.41 0.00 0.00 1.28 0.00 0.00 41.25 43.07 1wt9 s ASN 103 CO 0.72 -0.60 0.81 -0.46 -2.04 0.00 0.00 177.10 175.53 1wt9 n ASN 104 N 0.07 0.29 -4.74 3.54 0.23 -1.26 -4.02 115.26 109.37 1wt9 n ASN 104 Ca -0.11 -1.92 -0.40 0.00 -0.53 0.00 0.00 54.58 51.61 1wt9 n ASN 104 Cb 0.61 -0.15 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 1wt9 n ASN 104 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1wt9 s LYS 105 N -1.69 4.62 0.12 -3.83 -0.14 -1.26 -5.02 119.74 112.53 1wt9 s LYS 105 Ca 0.00 1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 55.59 1wt9 s LYS 105 Cb 0.00 -3.36 -0.06 0.00 -1.68 0.00 0.00 37.83 32.72 1wt9 s LYS 105 CO 0.00 0.27 1.10 -1.58 -0.76 0.00 0.00 175.35 174.38 1wt9 s TRP 106 N -0.14 3.58 0.15 3.18 0.52 -1.26 -4.51 118.94 120.46 1wt9 s TRP 106 Ca 0.43 1.56 0.06 0.00 0.02 0.00 0.00 56.10 58.16 1wt9 s TRP 106 Cb -0.22 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 28.78 1wt9 s TRP 106 CO 0.27 -0.63 -0.13 1.03 0.02 0.00 0.00 176.95 177.51 1wt9 s ARG 107 N 0.15 1.11 0.01 4.98 0.52 0.01 -4.99 118.95 120.74 1wt9 s ARG 107 Ca 0.52 -1.37 0.08 0.00 -0.52 0.00 0.00 55.73 54.44 1wt9 s ARG 107 Cb -0.28 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 1wt9 s ARG 107 CO 0.32 0.16 -0.24 -1.54 0.02 0.00 0.00 175.30 174.03 1wt9 s SER 108 N -2.80 3.33 0.13 0.23 1.04 -1.26 -0.79 113.70 113.59 1wt9 s SER 108 Ca 0.14 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 1wt9 s SER 108 Cb -0.02 -0.42 0.04 0.00 0.10 0.00 0.00 66.02 65.71 1wt9 s SER 108 CO 0.03 0.29 0.43 -0.51 0.98 0.00 0.00 173.24 174.46 1wt9 s ILE 109 N -0.75 0.06 0.36 -1.02 1.10 -0.61 -4.98 121.20 115.35 1wt9 s ILE 109 Ca 0.12 -0.53 -0.28 0.00 -0.51 0.00 0.00 60.65 59.44 1wt9 s ILE 109 Cb -0.10 -1.18 -0.11 0.00 0.15 0.00 0.00 42.46 41.21 1wt9 s ILE 109 CO 0.01 -0.27 1.44 1.07 -2.11 0.00 0.00 174.94 175.09 1wt9 n THR 110 N -0.25 1.90 0.23 4.00 5.66 -1.26 -0.43 114.28 124.13 1wt9 n THR 110 Ca -0.16 -0.48 0.09 0.00 -3.05 0.00 0.00 64.05 60.46 1wt9 n THR 110 Cb 0.64 -1.86 0.45 0.00 -1.55 0.00 0.00 70.33 68.01 1wt9 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wt9 h ARG 112 N 0.00 0.00 -6.67 0.00 3.08 -1.89 -2.94 114.38 105.96 1wt9 h ARG 112 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1wt9 h ARG 112 Cb 0.13 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.35 1wt9 h ARG 112 CO 0.00 0.12 -0.23 -0.12 -1.07 0.00 0.00 179.97 178.67 1wt9 n MET 113 N -3.16 0.53 -3.83 0.04 1.56 -0.58 -4.69 117.12 107.00 1wt9 n MET 113 Ca 0.03 0.22 -0.35 0.00 -0.27 0.00 0.00 57.70 57.32 1wt9 n MET 113 Cb 0.52 -1.90 -0.09 0.00 2.15 0.00 0.00 33.22 33.91 1wt9 n MET 113 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1wt9 s ILE 114 N -1.74 5.19 0.29 1.12 1.01 -1.26 -3.80 121.20 122.01 1wt9 s ILE 114 Ca 0.70 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 61.28 1wt9 s ILE 114 Cb -0.40 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1wt9 s ILE 114 CO 0.53 0.45 0.68 0.00 0.00 0.00 0.00 174.94 176.60 1wt9 s ALA 115 N 0.34 -0.90 0.96 9.38 0.00 -0.81 -4.87 121.76 125.87 1wt9 s ALA 115 Ca 0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1wt9 s ALA 115 Cb -0.11 0.87 0.18 0.00 0.00 0.00 0.00 23.12 24.05 1wt9 s ALA 115 CO -0.01 -0.99 1.05 0.09 0.00 0.00 0.00 175.76 175.90 1wt9 n ASN 116 N -0.64 0.20 -3.80 0.00 3.02 -0.30 -2.03 115.26 111.71 1wt9 n ASN 116 Ca -0.04 -1.45 -0.05 0.00 -0.03 0.00 0.00 54.58 53.01 1wt9 n ASN 116 Cb 0.60 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1wt9 n ASN 116 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1wt9 s PHE 117 N -3.26 -0.16 -0.04 3.10 -0.71 -1.17 -0.14 117.98 115.60 1wt9 s PHE 117 Ca 0.60 -0.23 0.02 0.00 -1.04 0.00 0.00 56.93 56.28 1wt9 s PHE 117 Cb -0.02 0.68 0.01 0.00 -1.21 0.00 0.00 43.02 42.48 1wt9 s PHE 117 CO 0.42 -1.05 -0.10 0.08 -1.34 0.00 0.00 175.22 173.23 1wt9 s VAL 118 N -3.60 0.89 0.17 -2.49 1.01 -1.26 -1.16 120.40 113.98 1wt9 s VAL 118 Ca 0.12 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1wt9 s VAL 118 Cb -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1wt9 s VAL 118 CO 0.05 0.29 0.28 0.00 0.00 0.00 0.00 175.10 175.72 1wt9 s GLU 120 N -3.40 0.65 0.08 0.00 2.12 0.51 -1.51 118.70 117.16 1wt9 s GLU 120 Ca 0.34 0.05 -0.14 0.00 0.36 0.00 0.00 54.97 55.58 1wt9 s GLU 120 Cb -0.10 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.61 1wt9 s GLU 120 CO 0.28 -0.16 0.34 -0.59 -0.54 0.00 0.00 175.26 174.58 1wt9 s PHE 121 N -0.90 -0.12 -0.07 5.30 -0.12 -0.62 -1.36 117.98 120.08 1wt9 s PHE 121 Ca -0.10 -0.13 -0.26 0.00 -0.05 0.00 0.00 56.93 56.40 1wt9 s PHE 121 Cb -0.04 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1wt9 s PHE 121 CO 0.04 -0.60 0.82 -1.14 -0.05 0.00 0.00 175.22 174.29 1wt9 s GLN 122 N -3.28 4.44 0.00 1.99 0.74 -1.26 -0.81 119.66 121.48 1wt9 s GLN 122 Ca -0.00 1.08 0.30 0.00 0.05 0.00 0.00 55.36 56.78 1wt9 s GLN 122 Cb 0.01 -3.48 1.44 0.00 1.10 0.00 0.00 33.01 32.08 1wt9 s GLN 122 CO -0.08 -0.07 1.97 0.00 -0.55 0.00 0.00 175.29 176.56