#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub6 s ALA 3 N 0.00 3.58 -0.19 0.00 0.00 -1.26 -4.71 121.76 119.18 1ub6 s ALA 3 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1ub6 s ALA 3 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1ub6 s ALA 3 CO 0.00 0.10 0.03 -0.51 0.00 0.00 0.00 175.76 175.39 1ub6 s LEU 4 N 0.40 3.54 -0.08 0.00 1.02 -1.26 -2.19 118.68 120.10 1ub6 s LEU 4 Ca 0.18 -0.06 0.04 0.00 0.02 0.00 0.00 54.13 54.31 1ub6 s LEU 4 Cb -0.13 -1.90 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 1ub6 s LEU 4 CO 0.05 0.12 -0.22 0.42 0.02 0.00 0.00 176.35 176.74 1ub6 s THR 5 N 0.69 1.90 0.12 5.49 -4.23 0.66 -4.17 115.64 116.11 1ub6 s THR 5 Ca 0.02 -0.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1ub6 s THR 5 Cb -0.14 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1ub6 s THR 5 CO 0.02 0.53 -0.10 -1.10 -0.54 0.00 0.00 174.62 173.43 1ub6 s GLN 6 N 0.26 0.95 0.53 3.99 -0.21 -1.26 -1.65 119.66 122.27 1ub6 s GLN 6 Ca -0.14 -1.33 -0.17 0.00 0.02 0.00 0.00 55.36 53.73 1ub6 s GLN 6 Cb -0.16 -0.52 -0.07 0.00 1.00 0.00 0.00 33.01 33.26 1ub6 s GLN 6 CO 0.07 0.06 1.01 -1.54 -2.12 0.00 0.00 175.29 172.77 1ub6 s SER 7 N -2.91 6.33 0.36 5.90 1.04 -1.26 -4.71 113.70 118.44 1ub6 s SER 7 Ca 0.12 1.70 0.15 0.00 0.48 0.00 0.00 55.95 58.40 1ub6 s SER 7 Cb 0.01 -2.52 0.66 0.00 0.10 0.00 0.00 66.02 64.27 1ub6 s SER 7 CO -0.01 -0.79 1.76 1.55 0.98 0.00 0.00 173.24 176.73 1ub6 h PRO 8 N 0.87 0.00 -3.79 4.02 0.13 -1.95 -3.32 132.00 127.96 1ub6 h PRO 8 Ca -0.47 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 1ub6 h PRO 8 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1ub6 h PRO 8 CO 0.60 0.42 -0.70 0.14 -0.23 0.00 0.00 178.00 178.23 1ub6 s VAL 9 N -3.87 0.04 0.57 1.56 -7.23 -1.26 -1.11 120.40 109.09 1ub6 s VAL 9 Ca -0.02 -0.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1ub6 s VAL 9 Cb 0.13 -0.11 0.01 0.00 0.56 0.00 0.00 36.38 36.97 1ub6 s VAL 9 CO 0.71 -0.17 0.85 -0.94 -0.31 0.00 0.00 175.10 175.24 1ub6 s SER 10 N -0.50 5.54 0.50 4.85 1.04 -0.41 -4.86 113.70 119.85 1ub6 s SER 10 Ca -0.06 0.52 -0.21 0.00 0.48 0.00 0.00 55.95 56.69 1ub6 s SER 10 Cb -0.03 -1.53 -0.07 0.00 0.10 0.00 0.00 66.02 64.48 1ub6 s SER 10 CO -0.00 -1.04 1.10 0.20 0.98 0.00 0.00 173.24 174.48 1ub6 s ASN 11 N -4.32 6.04 0.25 7.02 0.02 -1.26 -4.42 114.94 118.28 1ub6 s ASN 11 Ca 0.54 2.12 -0.31 0.00 -1.02 0.00 0.00 52.86 54.19 1ub6 s ASN 11 Cb -0.10 -2.58 -0.13 0.00 0.02 0.00 0.00 41.25 38.45 1ub6 s ASN 11 CO 0.43 -0.99 1.37 -0.81 0.02 0.00 0.00 177.10 177.11 1ub6 n PRO 12 N -0.98 1.99 -5.01 -0.60 -0.04 -1.26 -4.52 135.00 124.57 1ub6 n PRO 12 Ca 0.10 0.71 -0.32 0.00 -0.04 0.00 0.00 63.50 63.94 1ub6 n PRO 12 Cb 0.51 -2.34 -0.15 0.00 -0.04 0.00 0.00 33.50 31.48 1ub6 n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ub6 s VAL 13 N -0.22 2.59 0.06 0.52 1.01 0.43 -4.80 120.40 119.99 1ub6 s VAL 13 Ca 0.66 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1ub6 s VAL 13 Cb -0.65 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1ub6 s VAL 13 CO 0.52 0.55 1.16 -0.89 0.00 0.00 0.00 175.10 176.44 1ub6 s THR 14 N 0.03 4.14 0.30 3.92 2.01 -1.26 -0.48 115.64 124.31 1ub6 s THR 14 Ca -0.07 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 1ub6 s THR 14 Cb -0.15 -4.00 -0.13 0.00 0.01 0.00 0.00 72.50 68.23 1ub6 s THR 14 CO 0.05 0.14 1.29 0.18 -0.69 0.00 0.00 174.62 175.59 1ub6 n LEU 15 N 3.77 3.21 0.00 4.42 4.77 -1.26 -1.40 117.00 130.50 1ub6 n LEU 15 Ca 0.08 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 1ub6 n LEU 15 Cb 0.47 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ub6 n LEU 15 CO 0.55 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1ub6 n GLY 16 N 1.23 1.58 3.83 -0.72 0.00 -0.18 -4.89 105.19 106.04 1ub6 n GLY 16 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1ub6 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ub6 s THR 17 N -2.53 2.61 0.36 2.61 -4.23 -0.49 -4.01 115.64 109.96 1ub6 s THR 17 Ca 0.00 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 58.84 1ub6 s THR 17 Cb 0.00 -3.01 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1ub6 s THR 17 CO 0.00 -0.02 0.88 -0.44 -0.54 0.00 0.00 174.62 174.50 1ub6 s SER 18 N -4.04 7.03 0.17 3.99 0.01 -1.26 -1.86 113.70 117.73 1ub6 s SER 18 Ca 0.45 1.62 0.11 0.00 1.31 0.00 0.00 55.95 59.44 1ub6 s SER 18 Cb -0.01 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1ub6 s SER 18 CO 0.26 -0.20 -0.25 0.00 0.41 0.00 0.00 173.24 173.45 1ub6 s ALA 19 N -1.91 2.46 -0.05 1.44 0.00 0.95 -4.90 121.76 119.75 1ub6 s ALA 19 Ca 0.55 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1ub6 s ALA 19 Cb -0.13 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1ub6 s ALA 19 CO 0.18 0.48 -0.09 -1.12 0.00 0.00 0.00 175.76 175.21 1ub6 s SER 20 N -2.40 1.34 -0.19 0.00 0.01 -1.26 -1.37 113.70 109.82 1ub6 s SER 20 Ca 0.18 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.23 1ub6 s SER 20 Cb -0.09 -0.57 0.04 0.00 0.21 0.00 0.00 66.02 65.61 1ub6 s SER 20 CO 0.08 0.01 -0.11 -0.63 0.41 0.00 0.00 173.24 173.01 1ub6 s ILE 21 N 0.63 1.63 0.50 1.44 1.01 0.47 -4.85 121.20 122.02 1ub6 s ILE 21 Ca -0.11 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 1ub6 s ILE 21 Cb -0.14 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1ub6 s ILE 21 CO 0.02 0.19 0.81 -0.94 0.00 0.00 0.00 174.94 175.03 1ub6 s SER 22 N 1.41 6.23 -0.16 3.58 1.04 -1.26 0.33 113.70 124.86 1ub6 s SER 22 Ca -0.01 0.96 -0.28 0.00 0.48 0.00 0.00 55.95 57.10 1ub6 s SER 22 Cb -0.16 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.80 1ub6 s SER 22 CO -0.08 -0.63 0.76 0.00 0.98 0.00 0.00 173.24 174.26 1ub6 s ARG 24 N -0.49 0.20 0.11 0.00 3.52 -0.66 -0.29 118.95 121.35 1ub6 s ARG 24 Ca -0.05 -0.32 0.10 0.00 -0.13 0.00 0.00 55.73 55.33 1ub6 s ARG 24 Cb -0.02 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1ub6 s ARG 24 CO 0.05 -0.03 -0.25 -1.54 -0.81 0.00 0.00 175.30 172.71 1ub6 s SER 25 N -0.82 3.43 0.30 -2.12 1.04 -0.47 -0.24 113.70 114.82 1ub6 s SER 25 Ca -0.09 -0.68 0.26 0.00 0.48 0.00 0.00 55.95 55.92 1ub6 s SER 25 Cb -0.06 -0.31 0.91 0.00 0.10 0.00 0.00 66.02 66.67 1ub6 s SER 25 CO -0.00 0.19 1.76 0.71 0.98 0.00 0.00 173.24 176.88 1ub6 h THR 26 N 3.86 0.00 -3.95 2.02 1.35 -1.76 -3.44 112.91 110.99 1ub6 h THR 26 Ca -0.50 -0.43 -0.30 0.00 -0.55 0.00 0.00 66.41 64.63 1ub6 h THR 26 Cb 1.17 1.31 -0.24 0.00 -1.73 0.00 0.00 68.15 68.65 1ub6 h THR 26 CO 0.41 0.00 -0.75 -0.75 -0.25 0.00 0.00 175.52 174.19 1ub6 s LYS 27 N -3.28 0.50 0.33 4.72 2.20 -1.26 -5.00 119.74 117.95 1ub6 s LYS 27 Ca 0.06 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.86 1ub6 s LYS 27 Cb 0.10 -0.37 -0.11 0.00 -1.51 0.00 0.00 37.83 35.94 1ub6 s LYS 27 CO 0.51 0.08 1.55 0.45 -0.36 0.00 0.00 175.35 177.59 1ub6 s SER 28 N -0.96 6.36 0.00 1.43 0.15 -1.26 -4.72 113.70 114.69 1ub6 s SER 28 Ca -0.05 3.00 0.24 0.00 0.70 0.00 0.00 55.95 59.84 1ub6 s SER 28 Cb -0.07 -2.65 0.46 0.00 -1.71 0.00 0.00 66.02 62.06 1ub6 s SER 28 CO 0.00 -0.90 1.41 0.18 1.20 0.00 0.00 173.24 175.14 1ub6 n LEU 29 N 1.48 2.67 -4.63 3.45 4.32 0.24 -4.89 117.00 119.64 1ub6 n LEU 29 Ca 0.05 -0.97 -0.43 0.00 -0.02 0.00 0.00 56.01 54.64 1ub6 n LEU 29 Cb 0.38 -0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1ub6 n LEU 29 CO 0.64 0.48 1.11 -0.22 -1.22 0.00 0.00 177.39 178.18 1ub6 s LEU 30 N -1.86 3.86 0.39 2.23 1.98 -1.26 -1.66 118.68 122.36 1ub6 s LEU 30 Ca 0.33 1.12 -0.05 0.00 -2.89 0.00 0.00 54.13 52.63 1ub6 s LEU 30 Cb 0.21 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.47 1ub6 s LEU 30 CO 0.31 -1.08 0.67 -2.28 -1.89 0.00 0.00 176.35 172.08 1ub6 s HIS 31 N 4.34 3.51 -0.52 5.38 5.65 0.15 -4.97 115.29 128.83 1ub6 s HIS 31 Ca 0.54 0.73 0.16 0.00 0.25 0.00 0.00 55.06 56.74 1ub6 s HIS 31 Cb -0.15 -2.20 0.79 0.00 -1.18 0.00 0.00 32.58 29.84 1ub6 s HIS 31 CO 0.23 -0.04 1.48 -1.13 -0.65 0.00 0.00 174.74 174.63 1ub6 n SER 32 N -1.60 0.39 -0.31 9.88 3.41 -1.26 -0.57 113.62 123.57 1ub6 n SER 32 Ca -0.01 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1ub6 n SER 32 Cb 0.55 -0.72 0.43 0.00 -0.26 0.00 0.00 64.21 64.21 1ub6 n SER 32 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ub6 n ASN 33 N -2.00 0.93 0.00 4.04 0.23 -1.26 -4.88 115.26 112.32 1ub6 n ASN 33 Ca -0.00 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 1ub6 n ASN 33 Cb 0.07 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1ub6 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ub6 n GLY 34 N 0.97 1.37 3.86 4.83 0.00 0.27 -5.04 105.19 111.45 1ub6 n GLY 34 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1ub6 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub6 s ILE 35 N -2.90 5.19 -0.40 -0.61 1.01 -1.25 -4.85 121.20 117.40 1ub6 s ILE 35 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 60.65 61.09 1ub6 s ILE 35 Cb 0.00 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1ub6 s ILE 35 CO 0.00 0.53 0.24 -0.89 0.00 0.00 0.00 174.94 174.82 1ub6 s THR 36 N -1.13 4.55 -1.34 2.92 2.01 -1.26 -0.68 115.64 120.71 1ub6 s THR 36 Ca 0.23 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 1ub6 s THR 36 Cb -0.15 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1ub6 s THR 36 CO 0.12 -0.35 2.13 -1.22 -0.69 0.00 0.00 174.62 174.61 1ub6 n TYR 37 N 5.00 3.39 -4.98 4.92 4.02 -0.66 -2.72 117.16 126.12 1ub6 n TYR 37 Ca -0.11 -2.77 -0.28 0.00 -0.01 0.00 0.00 57.90 54.73 1ub6 n TYR 37 Cb 0.45 -2.44 -0.16 0.00 -0.02 0.00 0.00 39.34 37.17 1ub6 n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1ub6 s LEU 38 N 2.40 1.98 0.10 7.72 2.96 -1.26 -2.01 118.68 130.56 1ub6 s LEU 38 Ca 0.50 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1ub6 s LEU 38 Cb 0.13 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 1ub6 s LEU 38 CO -0.04 0.20 -0.07 -0.72 -1.32 0.00 0.00 176.35 174.40 1ub6 s TYR 39 N -0.11 0.91 0.01 5.38 -0.85 -0.37 -0.39 117.35 121.93 1ub6 s TYR 39 Ca -0.02 -0.88 0.05 0.00 -0.52 0.00 0.00 57.07 55.71 1ub6 s TYR 39 Cb -0.11 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.69 1ub6 s TYR 39 CO 0.02 -0.13 -0.17 -1.58 -1.52 0.00 0.00 175.55 172.18 1ub6 s TRP 40 N -3.45 1.47 0.08 -3.49 0.52 0.79 -1.00 118.94 113.87 1ub6 s TRP 40 Ca 0.11 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 55.93 1ub6 s TRP 40 Cb 0.04 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1ub6 s TRP 40 CO -0.04 0.00 -0.05 1.52 0.02 0.00 0.00 176.95 178.40 1ub6 s TYR 41 N -0.53 0.77 -0.02 -1.98 -0.85 -0.48 -0.32 117.35 113.93 1ub6 s TYR 41 Ca 0.06 -0.96 0.08 0.00 -0.52 0.00 0.00 57.07 55.72 1ub6 s TYR 41 Cb -0.07 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.78 1ub6 s TYR 41 CO 0.00 -0.22 -0.25 -1.17 -1.52 0.00 0.00 175.55 172.38 1ub6 s LEU 42 N -2.99 2.05 -0.31 -3.49 2.96 0.15 -1.05 118.68 116.01 1ub6 s LEU 42 Ca 0.10 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1ub6 s LEU 42 Cb 0.06 -1.31 0.09 0.00 0.50 0.00 0.00 46.19 45.53 1ub6 s LEU 42 CO -0.06 0.30 0.02 -1.58 -1.32 0.00 0.00 176.35 173.71 1ub6 s GLN 43 N -0.54 1.50 0.47 1.98 2.00 -0.37 -0.35 119.66 124.35 1ub6 s GLN 43 Ca 0.08 -1.59 -0.06 0.00 -2.00 0.00 0.00 55.36 51.79 1ub6 s GLN 43 Cb -0.10 -2.92 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 1ub6 s GLN 43 CO -0.00 -0.86 0.78 0.15 -0.50 0.00 0.00 175.29 174.86 1ub6 s LYS 44 N 1.09 3.57 -0.29 1.67 1.02 -1.26 -1.44 119.74 124.10 1ub6 s LYS 44 Ca 0.06 0.23 -0.31 0.00 0.02 0.00 0.00 55.97 55.98 1ub6 s LYS 44 Cb -0.19 -2.38 -0.08 0.00 -0.52 0.00 0.00 37.83 34.66 1ub6 s LYS 44 CO -0.10 -0.18 2.23 -2.30 -0.92 0.00 0.00 175.35 174.08 1ub6 n PRO 45 N -2.11 1.58 -2.40 -1.68 -0.02 -1.26 -2.80 135.00 126.30 1ub6 n PRO 45 Ca 0.01 0.41 -0.05 0.00 -2.02 0.00 0.00 63.50 61.85 1ub6 n PRO 45 Cb 0.55 -2.96 0.03 0.00 -0.02 0.00 0.00 33.50 31.10 1ub6 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ub6 n GLY 46 N 6.08 0.21 3.70 -1.23 0.00 -1.26 -5.07 105.19 107.61 1ub6 n GLY 46 Ca 0.35 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1ub6 n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ub6 s GLN 47 N -4.35 1.64 0.40 1.61 -0.21 -1.12 -5.17 119.66 112.46 1ub6 s GLN 47 Ca 0.01 -1.15 -0.14 0.00 0.02 0.00 0.00 55.36 54.09 1ub6 s GLN 47 Cb -0.00 0.53 -0.08 0.00 1.00 0.00 0.00 33.01 34.45 1ub6 s GLN 47 CO 0.22 -0.71 0.82 0.45 -2.12 0.00 0.00 175.29 173.94 1ub6 s SER 48 N -2.98 6.68 0.39 5.90 0.15 -1.26 -4.69 113.70 117.89 1ub6 s SER 48 Ca 0.18 1.33 -0.26 0.00 0.70 0.00 0.00 55.95 57.90 1ub6 s SER 48 Cb -0.03 -2.40 -0.11 0.00 -1.71 0.00 0.00 66.02 61.77 1ub6 s SER 48 CO 0.08 -0.36 1.24 -2.65 1.20 0.00 0.00 173.24 172.75 1ub6 n PRO 49 N -0.94 1.91 -4.16 5.44 -0.02 -1.26 -4.73 135.00 131.23 1ub6 n PRO 49 Ca 0.04 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 1ub6 n PRO 49 Cb 0.54 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 1ub6 n PRO 49 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ub6 s GLN 50 N -2.06 2.39 0.38 -0.52 0.74 0.53 -4.93 119.66 116.18 1ub6 s GLN 50 Ca 0.59 -0.60 -0.27 0.00 0.05 0.00 0.00 55.36 55.13 1ub6 s GLN 50 Cb -0.54 -2.12 -0.10 0.00 1.10 0.00 0.00 33.01 31.35 1ub6 s GLN 50 CO 0.59 -0.18 1.38 -1.17 -0.55 0.00 0.00 175.29 175.36 1ub6 s LEU 51 N 1.32 4.29 -0.02 3.68 2.96 -1.26 0.34 118.68 129.99 1ub6 s LEU 51 Ca 0.02 2.83 -0.05 0.00 -0.22 0.00 0.00 54.13 56.71 1ub6 s LEU 51 Cb -0.13 -3.76 -0.03 0.00 0.50 0.00 0.00 46.19 42.77 1ub6 s LEU 51 CO -0.08 -0.82 -0.11 0.18 -1.32 0.00 0.00 176.35 174.20 1ub6 n LEU 52 N 0.38 1.11 -3.91 -0.68 4.77 0.57 -4.79 117.00 114.45 1ub6 n LEU 52 Ca 0.02 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1ub6 n LEU 52 Cb 0.41 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 1ub6 n LEU 52 CO 0.60 -0.32 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.35 1ub6 s ILE 53 N -2.24 0.04 0.09 -0.08 1.01 -0.97 -1.83 121.20 117.22 1ub6 s ILE 53 Ca -0.10 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1ub6 s ILE 53 Cb 0.03 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 1ub6 s ILE 53 CO 0.14 -0.17 -0.08 -0.72 0.00 0.00 0.00 174.94 174.11 1ub6 s TYR 54 N -0.50 0.95 -1.50 3.97 1.13 0.05 -0.15 117.35 121.30 1ub6 s TYR 54 Ca -0.05 -0.73 -0.12 0.00 -1.41 0.00 0.00 57.07 54.76 1ub6 s TYR 54 Cb -0.03 -0.53 0.07 0.00 -1.10 0.00 0.00 41.96 40.37 1ub6 s TYR 54 CO -0.00 -0.06 0.93 1.04 -2.51 0.00 0.00 175.55 174.94 1ub6 n GLN 55 N 0.44 -5.36 0.00 -3.49 6.02 -0.54 -1.49 117.38 112.96 1ub6 n GLN 55 Ca -0.15 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1ub6 n GLN 55 Cb 0.58 -5.42 0.00 0.00 1.02 0.00 0.00 30.24 26.43 1ub6 n GLN 55 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1ub6 n MET 56 N -4.62 0.00 -0.71 -1.09 1.56 0.48 -4.22 117.12 108.52 1ub6 n MET 56 Ca -0.02 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.44 1ub6 n MET 56 Cb 0.55 -0.10 0.04 0.00 2.15 0.00 0.00 33.22 35.86 1ub6 n MET 56 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1ub6 n SER 57 N 1.34 0.74 -4.40 6.12 3.41 -1.22 -4.28 113.62 115.32 1ub6 n SER 57 Ca 0.00 -2.30 -0.36 0.00 -0.26 0.00 0.00 58.87 55.95 1ub6 n SER 57 Cb 0.00 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 63.54 1ub6 n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ub6 s ASN 58 N -1.71 4.84 0.35 4.04 0.01 -0.55 -4.97 114.94 116.95 1ub6 s ASN 58 Ca 0.17 -0.26 -0.25 0.00 -0.71 0.00 0.00 52.86 51.80 1ub6 s ASN 58 Cb 0.17 -1.86 -0.10 0.00 0.41 0.00 0.00 41.25 39.88 1ub6 s ASN 58 CO -0.05 -0.02 0.99 -0.76 -1.51 0.00 0.00 177.10 175.75 1ub6 s LEU 59 N 1.50 4.27 0.18 0.60 1.02 -1.26 -0.77 118.68 124.22 1ub6 s LEU 59 Ca 0.06 1.92 -0.22 0.00 0.02 0.00 0.00 54.13 55.91 1ub6 s LEU 59 Cb -0.15 -4.07 -0.08 0.00 0.02 0.00 0.00 46.19 41.92 1ub6 s LEU 59 CO 0.01 -0.22 0.72 0.00 0.02 0.00 0.00 176.35 176.89 1ub6 s ALA 60 N -1.63 3.45 0.35 4.21 0.00 -0.76 -4.90 121.76 122.48 1ub6 s ALA 60 Ca 0.53 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1ub6 s ALA 60 Cb -0.20 -2.84 -0.13 0.00 0.00 0.00 0.00 23.12 19.95 1ub6 s ALA 60 CO 0.25 0.33 0.79 0.43 0.00 0.00 0.00 175.76 177.56 1ub6 n SER 61 N 1.18 0.21 0.00 0.00 7.64 -1.26 -1.25 113.62 120.14 1ub6 n SER 61 Ca -0.05 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1ub6 n SER 61 Cb 0.50 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1ub6 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ub6 n GLY 62 N 1.51 3.21 3.64 0.23 0.00 -1.26 -5.01 105.19 107.51 1ub6 n GLY 62 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ub6 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub6 s VAL 63 N -2.15 4.70 0.72 1.61 1.01 -0.38 -5.02 120.40 120.88 1ub6 s VAL 63 Ca 0.00 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 1ub6 s VAL 63 Cb 0.00 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1ub6 s VAL 63 CO 0.00 -0.25 1.21 -2.16 0.00 0.00 0.00 175.10 173.89 1ub6 s PRO 64 N 3.17 2.22 0.00 2.72 0.04 -1.26 -4.83 135.00 137.05 1ub6 s PRO 64 Ca 0.39 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.20 1ub6 s PRO 64 Cb -0.14 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1ub6 s PRO 64 CO 0.11 -1.78 0.77 0.27 0.04 0.00 0.00 177.00 176.41 1ub6 n ASN 65 N -2.62 0.00 0.27 6.66 2.04 -1.26 -2.51 115.26 117.83 1ub6 n ASN 65 Ca 0.13 -1.42 0.16 0.00 -0.44 0.00 0.00 54.58 53.02 1ub6 n ASN 65 Cb 0.50 0.00 0.65 0.00 -2.53 0.00 0.00 39.78 38.40 1ub6 n ASN 65 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1ub6 h ARG 66 N 0.00 0.00 -6.10 -3.83 3.08 -1.90 -3.43 114.38 102.20 1ub6 h ARG 66 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ub6 h ARG 66 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1ub6 h ARG 66 CO 0.00 0.03 -0.12 -0.06 -1.07 0.00 0.00 179.97 178.75 1ub6 s PHE 67 N -3.67 3.76 0.07 3.04 0.08 -1.05 -1.59 117.98 118.62 1ub6 s PHE 67 Ca 0.01 1.12 -0.25 0.00 0.12 0.00 0.00 56.93 57.93 1ub6 s PHE 67 Cb 0.09 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.21 1ub6 s PHE 67 CO 0.56 0.60 0.59 -1.54 -0.10 0.00 0.00 175.22 175.33 1ub6 s SER 68 N -1.03 -0.54 -0.00 1.36 1.04 -0.46 -5.01 113.70 109.06 1ub6 s SER 68 Ca 0.26 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1ub6 s SER 68 Cb -0.18 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ub6 s SER 68 CO 0.16 -0.79 -0.02 -0.55 0.98 0.00 0.00 173.24 173.02 1ub6 s SER 69 N -2.08 0.24 0.21 7.02 0.15 -1.26 0.23 113.70 118.21 1ub6 s SER 69 Ca -0.04 -0.03 -0.07 0.00 0.70 0.00 0.00 55.95 56.51 1ub6 s SER 69 Cb -0.01 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1ub6 s SER 69 CO -0.03 0.01 0.28 -0.94 1.20 0.00 0.00 173.24 173.76 1ub6 s SER 70 N 0.04 0.05 0.00 5.45 1.04 -1.00 -4.56 113.70 114.73 1ub6 s SER 70 Ca -0.00 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1ub6 s SER 70 Cb -0.02 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1ub6 s SER 70 CO -0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1ub6 n GLY 71 N -0.29 1.99 0.00 7.32 0.00 -1.26 -1.04 105.19 111.91 1ub6 n GLY 71 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1ub6 n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ub6 n SER 72 N 0.00 0.00 0.11 1.61 3.41 -0.70 -4.96 113.62 113.10 1ub6 n SER 72 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1ub6 n SER 72 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1ub6 n SER 72 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ub6 h GLY 73 N 0.00 0.00 0.00 5.00 0.00 -1.98 -3.39 103.07 102.70 1ub6 h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ub6 h GLY 73 CO 0.00 0.00 -0.76 -1.30 0.00 0.00 0.00 176.54 174.48 1ub6 n THR 74 N -2.55 0.00 -4.13 4.70 -2.24 -1.26 -0.59 114.28 108.20 1ub6 n THR 74 Ca 0.02 -0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 1ub6 n THR 74 Cb 0.50 0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 1ub6 n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ub6 s ASP 75 N -1.74 2.22 0.17 3.42 1.01 -1.26 -1.37 116.67 119.12 1ub6 s ASP 75 Ca 0.00 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 52.97 1ub6 s ASP 75 Cb 0.00 -0.93 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 1ub6 s ASP 75 CO 0.00 -0.06 -0.13 -0.36 0.21 0.00 0.00 175.17 174.82 1ub6 s PHE 76 N 1.37 1.53 -0.05 4.23 0.40 0.60 -1.71 117.98 124.35 1ub6 s PHE 76 Ca -0.00 -0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1ub6 s PHE 76 Cb -0.14 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.67 1ub6 s PHE 76 CO -0.06 0.23 -0.01 0.99 0.70 0.00 0.00 175.22 177.08 1ub6 s THR 77 N -2.80 0.34 -0.13 0.64 2.01 -0.21 -1.17 115.64 114.32 1ub6 s THR 77 Ca 0.17 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 1ub6 s THR 77 Cb -0.01 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1ub6 s THR 77 CO 0.04 0.21 0.42 -0.22 -0.69 0.00 0.00 174.62 174.38 1ub6 s LEU 78 N 1.39 4.26 -0.06 4.42 2.96 0.15 -2.37 118.68 129.44 1ub6 s LEU 78 Ca -0.04 0.71 0.06 0.00 -0.22 0.00 0.00 54.13 54.64 1ub6 s LEU 78 Cb -0.13 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1ub6 s LEU 78 CO -0.02 0.03 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.67 1ub6 s ARG 79 N 0.60 2.54 -0.20 1.98 0.52 0.14 -0.40 118.95 124.12 1ub6 s ARG 79 Ca 0.23 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1ub6 s ARG 79 Cb -0.14 -2.20 0.05 0.00 0.52 0.00 0.00 34.95 33.18 1ub6 s ARG 79 CO 0.08 0.42 -0.07 0.42 0.02 0.00 0.00 175.30 176.17 1ub6 s ILE 80 N -0.25 1.46 0.31 1.52 1.01 -0.47 -1.35 121.20 123.43 1ub6 s ILE 80 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1ub6 s ILE 80 Cb -0.13 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1ub6 s ILE 80 CO 0.03 0.06 0.49 0.54 0.00 0.00 0.00 174.94 176.05 1ub6 s ASN 81 N 1.46 6.28 -1.25 3.58 6.03 -0.62 -0.03 114.94 130.38 1ub6 s ASN 81 Ca -0.02 0.30 -0.22 0.00 -1.03 0.00 0.00 52.86 51.89 1ub6 s ASN 81 Cb -0.17 -1.94 0.02 0.00 -3.03 0.00 0.00 41.25 36.13 1ub6 s ASN 81 CO -0.07 -0.23 0.62 0.41 -2.03 0.00 0.00 177.10 175.79 1ub6 n THR 82 N -1.66 -3.78 -1.65 0.54 -1.04 -1.21 -4.77 114.28 100.70 1ub6 n THR 82 Ca -0.06 -0.71 -0.47 0.00 -2.04 0.00 0.00 64.05 60.76 1ub6 n THR 82 Cb 0.57 -2.99 -0.05 0.00 -1.82 0.00 0.00 70.33 66.04 1ub6 n THR 82 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ub6 n VAL 83 N -4.60 0.01 -4.14 12.58 0.31 -0.78 -4.54 118.33 117.17 1ub6 n VAL 83 Ca -0.15 -0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.91 1ub6 n VAL 83 Cb 0.60 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.06 1ub6 n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ub6 s GLU 84 N 0.88 2.67 0.43 5.55 2.02 -1.26 -1.01 118.70 127.99 1ub6 s GLU 84 Ca 0.80 -0.97 0.18 0.00 0.02 0.00 0.00 54.97 55.00 1ub6 s GLU 84 Cb -0.73 -2.52 1.10 0.00 0.10 0.00 0.00 34.13 32.08 1ub6 s GLU 84 CO 0.40 0.48 1.89 0.00 0.02 0.00 0.00 175.26 178.05 1ub6 h ALA 85 N 2.60 2.21 0.00 5.21 0.00 -1.90 0.75 119.26 128.13 1ub6 h ALA 85 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ub6 h ALA 85 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ub6 h ALA 85 CO 0.61 -0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.56 1ub6 n GLU 86 N -4.48 0.18 0.00 0.00 0.28 0.33 -2.82 120.64 114.13 1ub6 n GLU 86 Ca 0.17 0.14 0.14 0.00 -0.16 0.00 0.00 57.16 57.45 1ub6 n GLU 86 Cb 0.63 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.71 1ub6 n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ub6 n ASP 87 N -1.35 0.00 -4.74 -1.84 8.00 0.25 -4.89 116.55 111.98 1ub6 n ASP 87 Ca 0.07 0.03 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 1ub6 n ASP 87 Cb 0.16 -0.34 0.04 0.00 -0.02 0.00 0.00 41.12 40.96 1ub6 n ASP 87 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ub6 n VAL 88 N -1.34 3.73 -1.98 2.53 0.24 -1.13 -4.88 118.33 115.50 1ub6 n VAL 88 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1ub6 n VAL 88 Cb 0.26 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 1ub6 n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ub6 n GLY 89 N 0.77 -0.08 3.27 7.63 0.00 -1.26 -4.75 105.19 110.77 1ub6 n GLY 89 Ca 0.10 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 1ub6 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub6 s VAL 90 N -2.62 2.91 -0.24 1.61 1.01 -0.52 -1.37 120.40 121.19 1ub6 s VAL 90 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1ub6 s VAL 90 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1ub6 s VAL 90 CO 0.00 0.48 0.29 -0.31 0.00 0.00 0.00 175.10 175.56 1ub6 s TYR 91 N 1.16 3.30 -0.12 5.22 1.51 0.30 -1.24 117.35 127.49 1ub6 s TYR 91 Ca 0.01 0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 56.44 1ub6 s TYR 91 Cb -0.14 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1ub6 s TYR 91 CO -0.04 -0.07 -0.07 0.71 -1.11 0.00 0.00 175.55 174.98 1ub6 s TYR 92 N 1.50 2.94 0.26 2.71 2.02 -0.21 -0.39 117.35 126.17 1ub6 s TYR 92 Ca 0.13 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 1ub6 s TYR 92 Cb -0.15 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1ub6 s TYR 92 CO 0.08 0.07 0.40 0.00 -1.57 0.00 0.00 175.55 174.52 1ub6 s ALA 94 N -2.04 -1.62 -0.03 0.00 0.00 -0.17 -0.98 121.76 116.93 1ub6 s ALA 94 Ca 0.35 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.85 1ub6 s ALA 94 Cb -0.09 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1ub6 s ALA 94 CO 0.30 -0.83 -0.23 1.14 0.00 0.00 0.00 175.76 176.14 1ub6 s GLN 95 N -3.51 2.06 -0.31 0.00 1.03 -1.06 -1.23 119.66 116.64 1ub6 s GLN 95 Ca 0.06 -0.83 0.11 0.00 0.04 0.00 0.00 55.36 54.74 1ub6 s GLN 95 Cb -0.02 -1.89 0.47 0.00 0.03 0.00 0.00 33.01 31.59 1ub6 s GLN 95 CO -0.06 0.45 1.14 0.27 -2.54 0.00 0.00 175.29 174.55 1ub6 n ASN 96 N 2.69 3.86 -0.02 12.60 2.04 -0.85 -4.00 115.26 131.58 1ub6 n ASN 96 Ca -0.16 -3.26 -0.20 0.00 -0.44 0.00 0.00 54.58 50.52 1ub6 n ASN 96 Cb 0.52 -0.40 -0.13 0.00 -2.53 0.00 0.00 39.78 37.23 1ub6 n ASN 96 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1ub6 h LEU 97 N 2.39 0.28 -8.29 -4.53 5.85 -1.93 -3.47 115.31 105.61 1ub6 h LEU 97 Ca 0.21 -0.83 -0.15 0.00 0.84 0.00 0.00 57.88 57.95 1ub6 h LEU 97 Cb 1.37 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 1ub6 h LEU 97 CO 0.61 1.50 -0.47 -1.61 -0.34 0.00 0.00 178.44 178.14 1ub6 s GLU 98 N -2.42 1.10 0.26 1.25 2.02 -1.26 -5.10 118.70 114.55 1ub6 s GLU 98 Ca -0.21 -1.33 -0.18 0.00 0.02 0.00 0.00 54.97 53.27 1ub6 s GLU 98 Cb 0.03 0.32 -0.09 0.00 0.10 0.00 0.00 34.13 34.50 1ub6 s GLU 98 CO 0.74 -0.37 0.73 -0.51 0.02 0.00 0.00 175.26 175.86 1ub6 s LEU 99 N -3.03 4.23 0.45 1.80 1.43 -1.26 -3.90 118.68 118.41 1ub6 s LEU 99 Ca 0.23 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1ub6 s LEU 99 Cb 0.05 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1ub6 s LEU 99 CO 0.03 -0.06 0.84 -2.16 0.23 0.00 0.00 176.35 175.22 1ub6 s PRO 100 N -2.36 3.78 0.30 1.29 0.04 -1.26 -5.04 135.00 131.76 1ub6 s PRO 100 Ca 0.47 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 1ub6 s PRO 100 Cb -0.14 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 1ub6 s PRO 100 CO 0.20 -0.14 1.32 -1.25 0.04 0.00 0.00 177.00 177.17 1ub6 s PRO 101 N -4.06 4.35 0.14 0.56 0.04 -1.25 -4.92 135.00 129.86 1ub6 s PRO 101 Ca 0.53 2.21 0.07 0.00 0.04 0.00 0.00 61.00 63.84 1ub6 s PRO 101 Cb -0.10 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1ub6 s PRO 101 CO 0.34 -0.22 -0.16 0.95 0.04 0.00 0.00 177.00 177.95 1ub6 s THR 102 N -0.83 1.54 0.07 1.26 -4.23 -1.26 -5.06 115.64 107.13 1ub6 s THR 102 Ca 0.51 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1ub6 s THR 102 Cb -0.40 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1ub6 s THR 102 CO 0.50 -0.40 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.72 1ub6 s PHE 103 N -2.20 0.91 0.94 3.99 0.40 -1.26 -2.58 117.98 118.19 1ub6 s PHE 103 Ca 0.13 -0.58 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 1ub6 s PHE 103 Cb -0.05 -0.52 0.16 0.00 0.51 0.00 0.00 43.02 43.12 1ub6 s PHE 103 CO 0.05 -0.04 1.15 0.20 0.70 0.00 0.00 175.22 177.28 1ub6 s GLY 104 N -2.00 1.60 0.00 4.36 0.00 -0.15 -4.52 107.32 106.60 1ub6 s GLY 104 Ca -0.02 -0.63 0.28 0.00 0.00 0.00 0.00 44.72 44.35 1ub6 s GLY 104 CO 0.00 -0.02 1.73 0.00 0.00 0.00 0.00 173.10 174.81 1ub6 n ALA 105 N -3.85 2.89 0.00 3.20 0.00 -1.26 -4.82 120.51 116.66 1ub6 n ALA 105 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ub6 n ALA 105 Cb 0.59 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1ub6 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub6 n GLY 106 N 1.30 -1.23 3.19 0.00 0.00 -1.26 -5.00 105.19 102.18 1ub6 n GLY 106 Ca 0.14 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1ub6 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ub6 s THR 107 N -1.77 2.28 -0.16 2.61 2.01 0.47 -4.24 115.64 116.83 1ub6 s THR 107 Ca 0.00 -0.89 -0.27 0.00 0.31 0.00 0.00 61.69 60.83 1ub6 s THR 107 Cb 0.00 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1ub6 s THR 107 CO 0.00 0.53 0.93 -0.75 -0.69 0.00 0.00 174.62 174.64 1ub6 s LYS 108 N 0.98 4.33 -0.25 4.92 2.47 -0.27 -0.53 119.74 131.38 1ub6 s LYS 108 Ca -0.03 1.21 -0.29 0.00 -1.56 0.00 0.00 55.97 55.30 1ub6 s LYS 108 Cb -0.15 -3.58 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1ub6 s LYS 108 CO -0.05 -0.39 1.19 -1.17 0.16 0.00 0.00 175.35 175.10 1ub6 s LEU 109 N 2.34 4.02 -0.20 5.43 2.96 -0.47 -1.29 118.68 131.47 1ub6 s LEU 109 Ca 0.43 1.34 -0.16 0.00 -0.22 0.00 0.00 54.13 55.51 1ub6 s LEU 109 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1ub6 s LEU 109 CO 0.13 -0.87 0.42 -1.61 -1.32 0.00 0.00 176.35 173.09 1ub6 s GLU 110 N 3.69 4.19 -0.20 1.98 0.41 -1.26 -4.38 118.70 123.13 1ub6 s GLU 110 Ca 0.51 0.24 -0.07 0.00 -0.41 0.00 0.00 54.97 55.25 1ub6 s GLU 110 Cb -0.17 -3.53 -0.04 0.00 -1.78 0.00 0.00 34.13 28.61 1ub6 s GLU 110 CO 0.16 -0.04 0.05 -0.51 -0.49 0.00 0.00 175.26 174.43 1ub6 s LEU 111 N 1.30 3.61 -0.01 1.80 2.01 -1.26 -0.43 118.68 125.70 1ub6 s LEU 111 Ca 0.20 -0.04 -0.11 0.00 0.01 0.00 0.00 54.13 54.20 1ub6 s LEU 111 Cb -0.15 -1.92 -0.05 0.00 0.01 0.00 0.00 46.19 44.08 1ub6 s LEU 111 CO 0.08 0.11 0.32 -0.75 1.01 0.00 0.00 176.35 177.13 1ub6 s LYS 112 N 0.72 3.72 0.35 1.70 2.20 0.37 -4.79 119.74 124.02 1ub6 s LYS 112 Ca 0.02 0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.72 1ub6 s LYS 112 Cb -0.14 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1ub6 s LYS 112 CO 0.02 0.68 0.61 2.89 -0.36 0.00 0.00 175.35 179.19 1ub6 n ARG 113 N 1.58 0.88 -2.32 4.03 1.85 -1.26 -4.20 116.66 117.21 1ub6 n ARG 113 Ca -0.14 -2.35 -0.35 0.00 -1.00 0.00 0.00 57.85 54.01 1ub6 n ARG 113 Cb 0.53 2.58 -0.01 0.00 -1.05 0.00 0.00 32.46 34.51 1ub6 n ARG 113 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ub6 s ALA 114 N -2.34 2.81 0.62 2.89 0.00 -1.26 -4.98 121.76 119.50 1ub6 s ALA 114 Ca 0.21 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 1ub6 s ALA 114 Cb -0.03 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1ub6 s ALA 114 CO 0.15 -0.64 1.22 -0.25 0.00 0.00 0.00 175.76 176.24 1ub6 n ASP 115 N -0.98 1.84 -3.82 0.00 8.00 -1.26 -4.81 116.55 115.51 1ub6 n ASP 115 Ca 0.10 0.85 -0.12 0.00 0.71 0.00 0.00 54.79 56.33 1ub6 n ASP 115 Cb 0.50 -1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 39.98 1ub6 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ub6 s ALA 116 N -1.40 -0.49 0.30 2.24 0.00 -0.88 -4.92 121.76 116.62 1ub6 s ALA 116 Ca 0.79 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 1ub6 s ALA 116 Cb -0.40 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 1ub6 s ALA 116 CO 0.44 -0.17 0.62 0.00 0.00 0.00 0.00 175.76 176.65 1ub6 s ALA 117 N -0.74 3.50 -0.01 0.00 0.00 -1.26 -2.23 121.76 121.01 1ub6 s ALA 117 Ca -0.08 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1ub6 s ALA 117 Cb -0.05 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1ub6 s ALA 117 CO 0.01 0.29 0.97 -1.25 0.00 0.00 0.00 175.76 175.78 1ub6 s PRO 118 N -3.29 4.54 -0.77 0.00 0.04 -1.26 -4.33 135.00 129.92 1ub6 s PRO 118 Ca 0.48 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 1ub6 s PRO 118 Cb -0.11 -3.47 0.07 0.00 0.04 0.00 0.00 34.50 31.04 1ub6 s PRO 118 CO 0.26 -0.07 1.11 -0.08 0.04 0.00 0.00 177.00 178.25 1ub6 s THR 119 N 1.09 4.26 0.30 1.26 -1.32 -0.25 -4.82 115.64 116.15 1ub6 s THR 119 Ca 0.51 -0.52 -0.27 0.00 -1.21 0.00 0.00 61.69 60.19 1ub6 s THR 119 Cb -0.21 -4.79 -0.10 0.00 -1.51 0.00 0.00 72.50 65.90 1ub6 s THR 119 CO 0.27 -1.59 0.96 -0.69 -2.21 0.00 0.00 174.62 171.35 1ub6 s VAL 120 N 4.18 4.09 -0.19 5.08 1.01 -1.26 -2.54 120.40 130.77 1ub6 s VAL 120 Ca 0.29 1.86 -0.05 0.00 0.00 0.00 0.00 61.98 64.09 1ub6 s VAL 120 Cb -0.11 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.27 1ub6 s VAL 120 CO 0.05 0.27 0.32 -0.44 0.00 0.00 0.00 175.10 175.29 1ub6 s SER 121 N -1.42 0.39 0.04 3.32 0.01 -0.37 -4.96 113.70 110.71 1ub6 s SER 121 Ca 0.47 0.43 0.01 0.00 1.31 0.00 0.00 55.95 58.18 1ub6 s SER 121 Cb -0.22 0.88 -0.04 0.00 0.21 0.00 0.00 66.02 66.85 1ub6 s SER 121 CO 0.28 -0.27 0.10 -0.51 0.41 0.00 0.00 173.24 173.25 1ub6 s ILE 122 N 2.48 4.77 -0.01 1.44 2.07 -1.26 -0.01 121.20 130.67 1ub6 s ILE 122 Ca 0.05 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 1ub6 s ILE 122 Cb -0.14 -3.26 0.01 0.00 0.13 0.00 0.00 42.46 39.20 1ub6 s ILE 122 CO -0.12 0.21 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.74 1ub6 s PHE 123 N -1.34 0.36 0.56 3.50 0.40 0.41 -4.94 117.98 116.94 1ub6 s PHE 123 Ca 0.28 -0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.48 1ub6 s PHE 123 Cb -0.12 -0.29 -0.01 0.00 0.51 0.00 0.00 43.02 43.10 1ub6 s PHE 123 CO 0.20 -0.04 0.89 -1.25 0.70 0.00 0.00 175.22 175.71 1ub6 s PRO 124 N 0.22 3.24 0.26 0.24 0.04 -1.26 -1.88 135.00 135.86 1ub6 s PRO 124 Ca -0.02 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.94 1ub6 s PRO 124 Cb -0.05 -2.27 -0.14 0.00 0.04 0.00 0.00 34.50 32.08 1ub6 s PRO 124 CO -0.00 -0.52 1.03 -2.30 0.04 0.00 0.00 177.00 175.24 1ub6 n PRO 125 N -2.52 1.27 -1.81 0.56 -0.02 -1.23 -4.86 135.00 126.40 1ub6 n PRO 125 Ca 0.03 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 1ub6 n PRO 125 Cb 0.56 -1.83 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1ub6 n PRO 125 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ub6 s SER 126 N -0.45 5.52 0.21 2.55 1.04 -1.26 -4.91 113.70 116.40 1ub6 s SER 126 Ca 0.62 1.75 -0.10 0.00 0.48 0.00 0.00 55.95 58.71 1ub6 s SER 126 Cb -0.74 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.02 1ub6 s SER 126 CO 0.58 -1.35 1.85 0.77 0.98 0.00 0.00 173.24 176.07 1ub6 h SER 127 N -0.10 0.93 0.41 7.02 4.64 -1.99 -1.79 113.55 122.66 1ub6 h SER 127 Ca -0.45 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1ub6 h SER 127 Cb 1.22 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1ub6 h SER 127 CO 0.57 0.73 -0.41 -0.33 -0.87 0.00 0.00 176.83 176.51 1ub6 h GLU 128 N 1.06 -0.81 -0.73 4.77 3.07 -1.99 -0.32 114.58 119.63 1ub6 h GLU 128 Ca 0.28 0.06 0.12 0.00 -0.50 0.00 0.00 59.36 59.32 1ub6 h GLU 128 Cb -0.03 0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 1ub6 h GLU 128 CO -0.05 -0.54 0.49 0.37 -1.40 0.00 0.00 179.01 177.88 1ub6 h GLN 129 N -0.84 0.49 -0.39 2.33 4.15 -1.82 -1.22 115.11 117.81 1ub6 h GLN 129 Ca -0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1ub6 h GLN 129 Cb 0.75 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1ub6 h GLN 129 CO -0.07 0.32 0.03 -0.07 -1.93 0.00 0.00 178.83 177.12 1ub6 h LEU 130 N 0.50 0.65 -1.14 -2.39 3.38 -0.52 -1.80 115.31 113.99 1ub6 h LEU 130 Ca 0.35 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ub6 h LEU 130 Cb 0.67 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ub6 h LEU 130 CO -0.12 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.53 1ub6 n THR 131 N -4.49 1.04 0.32 0.22 -2.24 -0.21 -0.33 114.28 108.59 1ub6 n THR 131 Ca -0.01 0.59 0.12 0.00 -2.27 0.00 0.00 64.05 62.47 1ub6 n THR 131 Cb 0.26 -1.57 0.20 0.00 -2.10 0.00 0.00 70.33 67.12 1ub6 n THR 131 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ub6 n SER 132 N -2.20 3.40 0.00 3.42 3.41 -0.83 -4.95 113.62 115.87 1ub6 n SER 132 Ca -0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1ub6 n SER 132 Cb 0.08 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1ub6 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ub6 n GLY 133 N 1.44 2.34 3.91 5.00 0.00 0.55 -5.04 105.19 113.40 1ub6 n GLY 133 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1ub6 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub6 s GLY 134 N -1.95 1.58 -0.32 -0.02 0.00 -0.74 -1.31 107.32 104.55 1ub6 s GLY 134 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1ub6 s GLY 134 CO 0.00 -0.48 0.45 0.00 0.00 0.00 0.00 173.10 173.07 1ub6 s ALA 135 N -2.43 -1.32 -0.08 3.20 0.00 -0.19 -3.20 121.76 117.75 1ub6 s ALA 135 Ca 0.45 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1ub6 s ALA 135 Cb -0.10 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1ub6 s ALA 135 CO 0.38 -1.89 -0.18 -1.54 0.00 0.00 0.00 175.76 172.52 1ub6 s SER 136 N 2.27 3.67 -0.20 0.00 1.04 -1.26 -1.13 113.70 118.10 1ub6 s SER 136 Ca 0.12 -0.35 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 1ub6 s SER 136 Cb -0.12 -1.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.88 1ub6 s SER 136 CO -0.22 0.25 0.05 0.54 0.98 0.00 0.00 173.24 174.84 1ub6 s VAL 137 N -0.19 4.48 -0.01 5.02 0.11 0.38 -3.56 120.40 126.62 1ub6 s VAL 137 Ca -0.01 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1ub6 s VAL 137 Cb -0.13 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 1ub6 s VAL 137 CO 0.03 0.43 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.33 1ub6 s VAL 138 N 0.76 2.51 -0.12 2.04 1.01 -0.79 -0.56 120.40 125.25 1ub6 s VAL 138 Ca 0.03 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1ub6 s VAL 138 Cb -0.14 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.34 1ub6 s VAL 138 CO 0.02 0.51 0.29 0.00 0.00 0.00 0.00 175.10 175.93 1ub6 s PHE 140 N 1.25 3.48 -0.45 0.00 0.08 0.98 -2.09 117.98 121.23 1ub6 s PHE 140 Ca -0.09 0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.48 1ub6 s PHE 140 Cb -0.09 -1.97 0.15 0.00 -0.57 0.00 0.00 43.02 40.53 1ub6 s PHE 140 CO -0.09 0.35 0.28 -0.51 -0.10 0.00 0.00 175.22 175.15 1ub6 s LEU 141 N -3.14 2.43 0.10 -0.37 1.02 -0.63 -1.23 118.68 116.87 1ub6 s LEU 141 Ca 0.41 -2.79 -0.00 0.00 0.02 0.00 0.00 54.13 51.77 1ub6 s LEU 141 Cb -0.11 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.17 1ub6 s LEU 141 CO 0.28 -0.23 0.26 0.20 0.02 0.00 0.00 176.35 176.88 1ub6 s ASN 142 N 0.19 6.37 -1.19 2.29 0.02 -1.05 -1.29 114.94 120.28 1ub6 s ASN 142 Ca 0.21 0.30 -0.14 0.00 -1.02 0.00 0.00 52.86 52.22 1ub6 s ASN 142 Cb -0.16 -1.97 -0.01 0.00 0.02 0.00 0.00 41.25 39.13 1ub6 s ASN 142 CO -0.06 0.11 0.74 0.59 0.02 0.00 0.00 177.10 178.50 1ub6 n ASN 143 N -0.00 -4.10 -4.79 -1.22 4.13 -0.79 -1.10 115.26 107.39 1ub6 n ASN 143 Ca -0.05 -0.96 -0.24 0.00 1.68 0.00 0.00 54.58 55.01 1ub6 n ASN 143 Cb 0.52 -3.57 -0.06 0.00 -1.54 0.00 0.00 39.78 35.13 1ub6 n ASN 143 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ub6 s PHE 144 N -3.56 2.55 -0.28 3.10 -0.71 0.32 -4.52 117.98 114.88 1ub6 s PHE 144 Ca 0.34 -0.59 -0.19 0.00 -1.04 0.00 0.00 56.93 55.45 1ub6 s PHE 144 Cb -0.11 -2.01 0.11 0.00 -1.21 0.00 0.00 43.02 39.79 1ub6 s PHE 144 CO 0.85 0.04 0.85 -0.47 -1.34 0.00 0.00 175.22 175.15 1ub6 s TYR 145 N -2.58 -0.75 1.14 3.49 5.04 -0.95 -0.56 117.35 122.18 1ub6 s TYR 145 Ca 0.42 1.60 -0.18 0.00 -2.44 0.00 0.00 57.07 56.47 1ub6 s TYR 145 Cb 0.01 0.43 0.26 0.00 0.35 0.00 0.00 41.96 43.02 1ub6 s TYR 145 CO 0.24 -0.37 1.15 -2.14 -1.34 0.00 0.00 175.55 173.09 1ub6 s PRO 146 N 1.06 -0.73 0.00 4.97 0.02 -1.26 -2.07 135.00 136.99 1ub6 s PRO 146 Ca -0.05 -0.12 0.10 0.00 0.02 0.00 0.00 61.00 60.94 1ub6 s PRO 146 Cb -0.05 -1.66 0.57 0.00 0.02 0.00 0.00 34.50 33.38 1ub6 s PRO 146 CO -0.12 -3.38 1.01 0.36 -0.33 0.00 0.00 177.00 174.54 1ub6 n LYS 147 N -4.51 0.49 -3.01 5.54 0.00 -1.26 -4.72 118.16 110.70 1ub6 n LYS 147 Ca 0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.04 1ub6 n LYS 147 Cb 0.59 -1.30 -0.05 0.00 -0.00 0.00 0.00 35.03 34.27 1ub6 n LYS 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ub6 s ASP 148 N -1.80 6.85 0.16 -5.58 1.01 -1.26 -5.01 116.67 111.04 1ub6 s ASP 148 Ca 0.14 1.03 -0.25 0.00 0.71 0.00 0.00 52.55 54.19 1ub6 s ASP 148 Cb 0.07 -2.40 0.06 0.00 1.01 0.00 0.00 42.92 41.65 1ub6 s ASP 148 CO 0.11 -0.31 0.90 -0.51 0.21 0.00 0.00 175.17 175.58 1ub6 s ILE 149 N 1.85 0.00 0.02 0.77 2.07 -1.26 -4.33 121.20 120.32 1ub6 s ILE 149 Ca 0.34 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 1ub6 s ILE 149 Cb -0.16 -1.90 0.00 0.00 0.13 0.00 0.00 42.46 40.53 1ub6 s ILE 149 CO 0.12 0.00 0.00 -0.46 -1.91 0.00 0.00 174.94 172.69 1ub6 n ASN 150 N -0.45 0.23 -0.54 4.50 6.94 -1.23 -5.07 115.26 119.65 1ub6 n ASN 150 Ca -0.06 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1ub6 n ASN 150 Cb 0.61 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1ub6 n ASN 150 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ub6 n VAL 151 N -3.10 -2.59 -3.84 3.53 0.31 -1.25 -5.00 118.33 106.39 1ub6 n VAL 151 Ca 0.00 0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 64.91 1ub6 n VAL 151 Cb 0.38 -1.80 -0.14 0.00 -0.91 0.00 0.00 33.84 31.37 1ub6 n VAL 151 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ub6 s LYS 152 N -3.37 0.03 -0.06 5.55 2.20 0.11 -4.97 119.74 119.22 1ub6 s LYS 152 Ca 0.00 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.68 1ub6 s LYS 152 Cb 0.00 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 1ub6 s LYS 152 CO 0.00 -0.04 0.03 -1.58 -0.36 0.00 0.00 175.35 173.40 1ub6 s TRP 153 N 0.24 3.21 -0.20 4.03 0.52 -1.26 0.37 118.94 125.85 1ub6 s TRP 153 Ca -0.02 0.21 -0.02 0.00 0.02 0.00 0.00 56.10 56.29 1ub6 s TRP 153 Cb -0.03 -1.78 0.06 0.00 -1.15 0.00 0.00 33.47 30.58 1ub6 s TRP 153 CO -0.01 0.51 0.03 0.15 0.02 0.00 0.00 176.95 177.65 1ub6 s LYS 154 N -1.14 0.77 -0.39 4.98 1.02 -0.65 -1.65 119.74 122.68 1ub6 s LYS 154 Ca 0.16 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.48 1ub6 s LYS 154 Cb -0.12 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1ub6 s LYS 154 CO 0.06 -0.64 0.46 0.96 -0.92 0.00 0.00 175.35 175.26 1ub6 s ILE 155 N 1.80 5.06 -1.37 2.17 -4.36 0.12 -1.07 121.20 123.55 1ub6 s ILE 155 Ca -0.01 -0.04 -0.06 0.00 -0.26 0.00 0.00 60.65 60.27 1ub6 s ILE 155 Cb -0.17 -3.99 0.03 0.00 1.25 0.00 0.00 42.46 39.58 1ub6 s ILE 155 CO -0.08 -0.31 0.95 0.47 0.24 0.00 0.00 174.94 176.21 1ub6 n ASP 156 N 5.65 -3.60 0.00 4.36 10.43 0.27 -1.30 116.55 132.36 1ub6 n ASP 156 Ca -0.07 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 56.58 1ub6 n ASP 156 Cb 0.48 -4.41 0.00 0.00 1.84 0.00 0.00 41.12 39.04 1ub6 n ASP 156 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ub6 n GLY 157 N -1.64 0.79 3.80 0.44 0.00 -1.26 -5.01 105.19 102.31 1ub6 n GLY 157 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1ub6 n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub6 s SER 158 N -2.73 5.56 -0.38 1.61 0.15 -0.42 -5.04 113.70 112.46 1ub6 s SER 158 Ca 0.00 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.30 1ub6 s SER 158 Cb 0.00 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.85 1ub6 s SER 158 CO 0.00 0.09 0.98 -1.61 1.20 0.00 0.00 173.24 173.91 1ub6 s GLU 159 N -2.93 3.84 -0.21 5.44 2.02 -1.26 0.13 118.70 125.73 1ub6 s GLU 159 Ca 0.31 0.63 0.02 0.00 0.02 0.00 0.00 54.97 55.95 1ub6 s GLU 159 Cb -0.11 -3.82 0.03 0.00 0.10 0.00 0.00 34.13 30.34 1ub6 s GLU 159 CO 0.23 -1.02 -0.17 0.50 0.02 0.00 0.00 175.26 174.82 1ub6 s ARG 160 N 3.67 2.74 0.00 1.61 6.06 -0.66 -4.93 118.95 127.45 1ub6 s ARG 160 Ca 0.41 -1.00 0.00 0.00 -2.50 0.00 0.00 55.73 52.64 1ub6 s ARG 160 Cb -0.11 -2.69 0.00 0.00 0.06 0.00 0.00 34.95 32.21 1ub6 s ARG 160 CO 0.21 -0.33 0.55 0.00 -2.50 0.00 0.00 175.30 173.22 1ub6 n GLN 161 N 4.56 0.43 0.00 5.12 10.64 -1.26 -4.09 117.38 132.78 1ub6 n GLN 161 Ca -0.19 -0.69 0.00 0.00 -1.83 0.00 0.00 57.00 54.30 1ub6 n GLN 161 Cb 0.47 -0.84 0.00 0.00 -0.86 0.00 0.00 30.24 29.01 1ub6 n GLN 161 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1ub6 n ASN 162 N -0.14 0.00 -1.84 2.61 5.15 -1.26 -3.76 115.26 116.01 1ub6 n ASN 162 Ca 0.00 0.39 -0.10 0.00 -0.60 0.00 0.00 54.58 54.27 1ub6 n ASN 162 Cb 0.18 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.39 1ub6 n ASN 162 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ub6 n GLY 163 N -0.43 3.25 3.64 8.20 0.00 -1.26 -4.89 105.19 113.70 1ub6 n GLY 163 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1ub6 n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub6 s VAL 164 N -0.60 4.80 -0.08 1.61 0.11 -1.25 -1.17 120.40 123.84 1ub6 s VAL 164 Ca 0.31 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1ub6 s VAL 164 Cb 0.19 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1ub6 s VAL 164 CO -0.03 0.47 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.26 1ub6 s LEU 165 N 0.30 1.89 0.03 2.54 1.02 -0.54 -4.97 118.68 118.95 1ub6 s LEU 165 Ca 0.04 -0.43 0.07 0.00 0.02 0.00 0.00 54.13 53.83 1ub6 s LEU 165 Cb -0.12 -1.12 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 1ub6 s LEU 165 CO 0.00 0.11 -0.20 0.20 0.02 0.00 0.00 176.35 176.48 1ub6 s ASN 166 N 0.42 3.65 -0.03 2.29 0.02 -1.26 -0.84 114.94 119.19 1ub6 s ASN 166 Ca -0.15 -0.44 -0.00 0.00 -1.02 0.00 0.00 52.86 51.25 1ub6 s ASN 166 Cb -0.16 -0.55 0.03 0.00 0.02 0.00 0.00 41.25 40.59 1ub6 s ASN 166 CO 0.06 0.27 0.02 -0.55 0.02 0.00 0.00 177.10 176.92 1ub6 s SER 167 N -1.29 0.55 0.02 -1.22 0.15 -0.10 -4.98 113.70 106.84 1ub6 s SER 167 Ca 0.13 0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.82 1ub6 s SER 167 Cb -0.10 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1ub6 s SER 167 CO 0.04 -0.15 -0.03 0.26 1.20 0.00 0.00 173.24 174.56 1ub6 s TRP 168 N 1.34 2.97 0.47 3.44 0.51 -1.26 -0.31 118.94 126.10 1ub6 s TRP 168 Ca -0.05 0.01 0.04 0.00 -2.12 0.00 0.00 56.10 53.97 1ub6 s TRP 168 Cb -0.13 -1.61 0.01 0.00 -0.81 0.00 0.00 33.47 30.93 1ub6 s TRP 168 CO -0.03 0.43 0.66 0.95 -0.51 0.00 0.00 176.95 178.45 1ub6 s THR 169 N -1.09 3.21 0.83 2.01 -4.23 -0.68 -5.02 115.64 110.67 1ub6 s THR 169 Ca 0.20 -0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 59.82 1ub6 s THR 169 Cb -0.11 -3.15 0.10 0.00 1.34 0.00 0.00 72.50 70.67 1ub6 s THR 169 CO 0.11 -0.09 1.20 -1.81 -0.54 0.00 0.00 174.62 173.49 1ub6 s ASP 170 N -4.33 4.29 0.15 3.99 1.01 -1.26 -4.62 116.67 115.90 1ub6 s ASP 170 Ca 0.53 0.71 -0.31 0.00 0.71 0.00 0.00 52.55 54.19 1ub6 s ASP 170 Cb -0.10 -1.14 -0.11 0.00 1.01 0.00 0.00 42.92 42.58 1ub6 s ASP 170 CO 0.36 -2.04 1.74 -1.58 0.21 0.00 0.00 175.17 173.87 1ub6 s GLN 171 N -5.62 4.15 0.15 8.23 0.74 -1.26 -4.72 119.66 121.33 1ub6 s GLN 171 Ca 0.64 2.55 -0.34 0.00 0.05 0.00 0.00 55.36 58.25 1ub6 s GLN 171 Cb -0.10 -3.36 -0.14 0.00 1.10 0.00 0.00 33.01 30.51 1ub6 s GLN 171 CO 0.50 -0.77 1.56 -3.47 -0.55 0.00 0.00 175.29 172.56 1ub6 n ASP 172 N 4.88 2.98 0.00 6.67 4.64 0.24 -4.85 116.55 131.10 1ub6 n ASP 172 Ca 0.16 1.08 0.07 0.00 -1.38 0.00 0.00 54.79 54.73 1ub6 n ASP 172 Cb 0.37 -1.41 0.41 0.00 -1.04 0.00 0.00 41.12 39.45 1ub6 n ASP 172 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1ub6 n SER 173 N 3.38 0.00 0.00 1.67 7.64 -1.26 -0.61 113.62 124.44 1ub6 n SER 173 Ca 0.17 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1ub6 n SER 173 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1ub6 n SER 173 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ub6 n LYS 174 N -0.82 1.80 -0.02 1.43 4.76 -1.26 -0.52 118.16 123.53 1ub6 n LYS 174 Ca 0.10 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.60 1ub6 n LYS 174 Cb 0.05 -0.57 -0.12 0.00 -1.84 0.00 0.00 35.03 32.55 1ub6 n LYS 174 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ub6 n ASP 175 N -0.59 1.47 -0.16 4.39 2.03 -1.23 -4.88 116.55 117.59 1ub6 n ASP 175 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1ub6 n ASP 175 Cb 0.05 1.57 -0.01 0.00 -0.72 0.00 0.00 41.12 42.02 1ub6 n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ub6 n SER 176 N -2.11 -5.09 -4.42 1.67 7.64 0.22 -4.95 113.62 106.58 1ub6 n SER 176 Ca -0.06 0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.69 1ub6 n SER 176 Cb 0.49 -2.78 0.08 0.00 -1.01 0.00 0.00 64.21 60.99 1ub6 n SER 176 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ub6 n THR 177 N -2.33 0.00 -4.32 0.44 -2.24 -1.26 -4.62 114.28 99.96 1ub6 n THR 177 Ca -0.02 -1.56 -0.23 0.00 -2.27 0.00 0.00 64.05 59.97 1ub6 n THR 177 Cb 0.38 -0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 67.75 1ub6 n THR 177 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ub6 s TYR 178 N -2.34 1.85 0.07 4.78 2.02 0.28 -0.59 117.35 123.41 1ub6 s TYR 178 Ca 0.55 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1ub6 s TYR 178 Cb -0.04 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1ub6 s TYR 178 CO 0.36 0.28 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.40 1ub6 s SER 179 N -2.25 1.12 0.02 2.29 0.01 -1.26 -0.52 113.70 113.11 1ub6 s SER 179 Ca 0.11 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.66 1ub6 s SER 179 Cb -0.08 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1ub6 s SER 179 CO 0.06 -0.25 0.02 -0.32 0.41 0.00 0.00 173.24 173.16 1ub6 s MET 180 N -2.24 0.42 -0.05 12.44 1.75 -0.41 -1.68 119.30 129.54 1ub6 s MET 180 Ca -0.02 -0.68 0.05 0.00 -1.25 0.00 0.00 55.69 53.79 1ub6 s MET 180 Cb -0.06 0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.76 1ub6 s MET 180 CO -0.00 -0.08 -0.20 0.45 -0.65 0.00 0.00 175.02 174.54 1ub6 s SER 181 N -1.75 2.44 -0.11 1.11 0.15 0.58 -1.60 113.70 114.53 1ub6 s SER 181 Ca -0.11 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.15 1ub6 s SER 181 Cb -0.06 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.60 1ub6 s SER 181 CO -0.02 0.18 -0.14 -0.55 1.20 0.00 0.00 173.24 173.91 1ub6 s SER 182 N -0.03 2.33 -0.15 5.45 0.15 -0.89 -0.92 113.70 119.64 1ub6 s SER 182 Ca -0.04 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 1ub6 s SER 182 Cb -0.12 -1.03 0.04 0.00 -1.71 0.00 0.00 66.02 63.20 1ub6 s SER 182 CO 0.03 -0.00 -0.05 -0.89 1.20 0.00 0.00 173.24 173.53 1ub6 s THR 183 N 1.05 1.01 -0.55 6.45 2.01 -0.02 -1.54 115.64 124.05 1ub6 s THR 183 Ca -0.06 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1ub6 s THR 183 Cb -0.15 -1.18 0.08 0.00 0.01 0.00 0.00 72.50 71.26 1ub6 s THR 183 CO -0.02 0.15 0.67 -0.22 -0.69 0.00 0.00 174.62 174.51 1ub6 s LEU 184 N 1.68 5.17 -0.10 4.42 2.96 0.28 -1.47 118.68 131.62 1ub6 s LEU 184 Ca 0.02 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 52.61 1ub6 s LEU 184 Cb -0.15 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 1ub6 s LEU 184 CO -0.08 -1.01 0.34 0.42 -1.32 0.00 0.00 176.35 174.70 1ub6 s THR 185 N 2.67 5.23 0.27 3.68 -4.23 -0.31 -0.47 115.64 122.46 1ub6 s THR 185 Ca 0.13 0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 61.10 1ub6 s THR 185 Cb -0.22 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1ub6 s THR 185 CO 0.09 0.47 0.68 -1.48 -0.54 0.00 0.00 174.62 173.84 1ub6 s LEU 186 N -0.18 -0.20 0.48 4.79 0.05 -0.28 -4.65 118.68 118.69 1ub6 s LEU 186 Ca 0.20 -0.61 -0.22 0.00 0.05 0.00 0.00 54.13 53.55 1ub6 s LEU 186 Cb -0.14 2.59 -0.07 0.00 -2.05 0.00 0.00 46.19 46.52 1ub6 s LEU 186 CO 0.08 -1.29 1.17 0.42 -0.55 0.00 0.00 176.35 176.17 1ub6 s THR 187 N -3.92 3.06 0.29 5.48 -4.23 -1.26 -1.02 115.64 114.04 1ub6 s THR 187 Ca 0.12 0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1ub6 s THR 187 Cb -0.05 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.69 1ub6 s THR 187 CO 0.06 -0.04 1.91 0.50 -0.54 0.00 0.00 174.62 176.51 1ub6 h LYS 188 N 1.82 1.07 -0.61 3.99 3.64 -1.43 0.18 116.57 125.23 1ub6 h LYS 188 Ca -0.50 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1ub6 h LYS 188 Cb 1.25 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1ub6 h LYS 188 CO 0.59 0.71 0.40 -0.44 -2.27 0.00 0.00 179.45 178.44 1ub6 h ASP 189 N 1.10 0.68 -0.42 4.20 3.32 -1.92 -0.83 116.42 122.56 1ub6 h ASP 189 Ca 0.39 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 1ub6 h ASP 189 Cb 0.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ub6 h ASP 189 CO -0.14 0.49 -0.23 -0.08 -1.72 0.00 0.00 179.24 177.56 1ub6 h GLU 190 N 0.81 0.90 -0.52 3.56 4.57 -1.63 -2.89 114.58 119.38 1ub6 h GLU 190 Ca 0.23 -0.40 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1ub6 h GLU 190 Cb -0.07 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 1ub6 h GLU 190 CO -0.06 1.06 0.29 -0.92 -1.18 0.00 0.00 179.01 178.19 1ub6 h TYR 191 N 0.73 0.53 0.00 0.92 3.20 -0.18 -0.67 116.97 121.50 1ub6 h TYR 191 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1ub6 h TYR 191 Cb 0.80 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1ub6 h TYR 191 CO 0.06 0.28 0.00 0.39 -1.64 0.00 0.00 178.16 177.25 1ub6 n GLU 192 N -4.84 0.01 0.00 1.82 -0.58 -0.36 -2.59 120.64 114.09 1ub6 n GLU 192 Ca 0.04 0.18 0.15 0.00 -0.42 0.00 0.00 57.16 57.11 1ub6 n GLU 192 Cb 0.11 -1.50 0.88 0.00 -0.57 0.00 0.00 31.44 30.36 1ub6 n GLU 192 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ub6 n ARG 193 N -1.50 0.88 -4.12 3.49 0.63 -0.26 -4.81 116.66 110.97 1ub6 n ARG 193 Ca 0.05 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.87 1ub6 n ARG 193 Cb 0.22 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.54 1ub6 n ARG 193 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1ub6 s HIS 194 N -2.09 0.84 0.00 -0.14 3.76 -1.07 -5.09 115.29 111.50 1ub6 s HIS 194 Ca 0.43 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1ub6 s HIS 194 Cb 0.21 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.59 1ub6 s HIS 194 CO 0.37 -0.72 0.00 0.09 -0.85 0.00 0.00 174.74 173.63 1ub6 n ASN 195 N -0.27 3.31 -4.48 1.40 5.03 -1.26 -4.97 115.26 114.02 1ub6 n ASN 195 Ca -0.01 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.10 1ub6 n ASN 195 Cb 0.64 0.39 -0.12 0.00 -1.02 0.00 0.00 39.78 39.67 1ub6 n ASN 195 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1ub6 s GLY 196 N -2.15 1.73 -0.12 7.41 0.00 -1.26 -4.92 107.32 108.01 1ub6 s GLY 196 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 1ub6 s GLY 196 CO 0.00 0.08 -0.08 -0.19 0.00 0.00 0.00 173.10 172.91 1ub6 s TYR 197 N 0.65 1.55 -0.07 1.90 1.51 -0.96 0.96 117.35 122.90 1ub6 s TYR 197 Ca -0.01 -0.81 0.03 0.00 -1.01 0.00 0.00 57.07 55.27 1ub6 s TYR 197 Cb -0.14 -1.26 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1ub6 s TYR 197 CO 0.02 -0.54 -0.16 0.99 -1.11 0.00 0.00 175.55 174.76 1ub6 s THR 198 N 1.69 2.90 -0.35 -0.71 2.01 -0.23 -1.82 115.64 119.12 1ub6 s THR 198 Ca 0.04 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 1ub6 s THR 198 Cb -0.13 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.29 1ub6 s THR 198 CO -0.08 0.57 0.12 0.00 -0.69 0.00 0.00 174.62 174.54 1ub6 s GLU 200 N 1.36 4.06 -0.38 0.00 2.12 0.16 -1.13 118.70 124.88 1ub6 s GLU 200 Ca -0.00 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1ub6 s GLU 200 Cb -0.20 -3.36 0.11 0.00 0.26 0.00 0.00 34.13 30.93 1ub6 s GLU 200 CO 0.01 0.22 0.10 0.00 -0.54 0.00 0.00 175.26 175.05 1ub6 s ALA 201 N 0.56 2.99 -0.67 6.30 0.00 -1.12 0.06 121.76 129.88 1ub6 s ALA 201 Ca 0.06 -2.67 -0.19 0.00 0.00 0.00 0.00 51.96 49.16 1ub6 s ALA 201 Cb -0.12 -2.04 0.12 0.00 0.00 0.00 0.00 23.12 21.07 1ub6 s ALA 201 CO 0.00 -1.76 0.80 0.99 0.00 0.00 0.00 175.76 175.79 1ub6 s THR 202 N 0.71 4.84 0.32 0.00 2.01 -1.26 -1.60 115.64 120.65 1ub6 s THR 202 Ca 0.12 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 1ub6 s THR 202 Cb -0.20 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 1ub6 s THR 202 CO -0.06 -1.20 0.54 -2.28 -0.69 0.00 0.00 174.62 170.93 1ub6 s HIS 203 N 2.56 3.49 -0.89 4.92 2.46 -1.26 -3.53 115.29 123.03 1ub6 s HIS 203 Ca 0.16 0.47 -0.07 0.00 0.47 0.00 0.00 55.06 56.10 1ub6 s HIS 203 Cb -0.19 -1.98 -0.10 0.00 -0.13 0.00 0.00 32.58 30.17 1ub6 s HIS 203 CO 0.03 0.15 2.55 1.63 -2.47 0.00 0.00 174.74 176.63 1ub6 n LYS 204 N -1.39 2.42 -3.53 2.88 4.76 -1.26 -4.58 118.16 117.45 1ub6 n LYS 204 Ca -0.03 -1.49 -0.15 0.00 -2.87 0.00 0.00 58.31 53.76 1ub6 n LYS 204 Cb 0.55 -2.40 -0.05 0.00 -1.84 0.00 0.00 35.03 31.28 1ub6 n LYS 204 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1ub6 s THR 205 N 2.54 0.00 0.00 -0.18 2.01 -1.26 -4.95 115.64 113.80 1ub6 s THR 205 Ca 0.51 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1ub6 s THR 205 Cb 0.16 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1ub6 s THR 205 CO -0.03 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.70 1ub6 n SER 206 N 0.74 0.00 0.00 3.53 7.64 -1.26 -4.03 113.62 120.24 1ub6 n SER 206 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ub6 n SER 206 Cb 0.58 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1ub6 n SER 206 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ub6 n THR 207 N -0.43 0.00 -3.77 0.44 -1.04 -1.26 -4.93 114.28 103.29 1ub6 n THR 207 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1ub6 n THR 207 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1ub6 n THR 207 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ub6 s SER 208 N -2.62 5.05 0.40 8.00 1.04 -1.26 -5.08 113.70 119.24 1ub6 s SER 208 Ca 0.00 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.79 1ub6 s SER 208 Cb 0.00 -1.90 -0.10 0.00 0.10 0.00 0.00 66.02 64.12 1ub6 s SER 208 CO 0.00 -0.08 1.47 -2.84 0.98 0.00 0.00 173.24 172.77 1ub6 s PRO 209 N 1.57 3.99 -0.94 4.02 0.02 -1.26 -4.87 135.00 137.52 1ub6 s PRO 209 Ca 0.05 2.52 -0.17 0.00 0.02 0.00 0.00 61.00 63.43 1ub6 s PRO 209 Cb -0.16 -2.88 0.16 0.00 0.02 0.00 0.00 34.50 31.65 1ub6 s PRO 209 CO 0.03 -0.61 1.08 0.42 -0.33 0.00 0.00 177.00 177.58 1ub6 s ILE 210 N -1.15 5.00 0.43 2.83 1.01 -0.63 -4.89 121.20 123.81 1ub6 s ILE 210 Ca 0.55 -1.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 1ub6 s ILE 210 Cb -0.46 -4.72 -0.08 0.00 0.01 0.00 0.00 42.46 37.22 1ub6 s ILE 210 CO 0.61 -1.40 0.85 0.68 0.00 0.00 0.00 174.94 175.68 1ub6 s VAL 211 N 1.87 4.65 -0.15 2.92 -7.23 -1.26 -2.80 120.40 118.39 1ub6 s VAL 211 Ca 0.30 0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 61.32 1ub6 s VAL 211 Cb -0.06 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.23 1ub6 s VAL 211 CO -0.08 -0.50 0.39 -0.54 -0.31 0.00 0.00 175.10 174.06 1ub6 s LYS 212 N -3.70 0.42 0.27 4.82 -0.14 -0.29 -4.98 119.74 116.15 1ub6 s LYS 212 Ca 0.55 0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 55.61 1ub6 s LYS 212 Cb -0.10 0.11 0.02 0.00 -1.68 0.00 0.00 37.83 36.18 1ub6 s LYS 212 CO 0.27 -0.10 0.68 -1.54 -0.76 0.00 0.00 175.35 173.90 1ub6 s SER 213 N 0.73 -0.24 0.00 2.83 1.04 -1.26 0.23 113.70 117.03 1ub6 s SER 213 Ca -0.04 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1ub6 s SER 213 Cb -0.05 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1ub6 s SER 213 CO -0.05 -1.32 0.00 2.22 0.98 0.00 0.00 173.24 175.07