#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6a s GLN 3 N 0.00 2.87 -0.03 5.55 1.11 -0.17 -4.82 119.66 124.17 1u6a s GLN 3 Ca 0.00 -0.54 0.07 0.00 0.01 0.00 0.00 55.36 54.90 1u6a s GLN 3 Cb 0.00 -2.72 -0.02 0.00 -1.01 0.00 0.00 33.01 29.26 1u6a s GLN 3 CO 0.00 0.65 -0.24 -0.51 0.01 0.00 0.00 175.29 175.20 1u6a s LEU 4 N -1.39 2.15 -0.21 2.90 1.43 -1.26 -1.14 118.68 121.17 1u6a s LEU 4 Ca 0.18 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1u6a s LEU 4 Cb -0.11 -1.38 0.07 0.00 0.03 0.00 0.00 46.19 44.80 1u6a s LEU 4 CO 0.08 0.31 0.09 -1.58 0.23 0.00 0.00 176.35 175.48 1u6a s GLN 5 N -0.52 0.17 0.52 1.70 2.00 -0.81 -3.99 119.66 118.74 1u6a s GLN 5 Ca 0.07 -0.26 -0.16 0.00 -2.00 0.00 0.00 55.36 53.01 1u6a s GLN 5 Cb -0.11 -1.70 -0.07 0.00 0.80 0.00 0.00 33.01 31.92 1u6a s GLN 5 CO 0.00 -0.76 0.99 -1.83 -0.50 0.00 0.00 175.29 173.19 1u6a s GLU 6 N 2.08 3.90 0.04 1.67 1.03 -1.26 -1.14 118.70 125.02 1u6a s GLU 6 Ca 0.04 0.96 -0.12 0.00 0.03 0.00 0.00 54.97 55.87 1u6a s GLU 6 Cb -0.16 -2.13 0.02 0.00 -0.80 0.00 0.00 34.13 31.06 1u6a s GLU 6 CO -0.16 -0.32 0.27 -1.54 -1.33 0.00 0.00 175.26 172.18 1u6a s SER 7 N -3.12 -0.08 0.00 0.83 1.04 0.11 -4.94 113.70 107.54 1u6a s SER 7 Ca 0.59 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1u6a s SER 7 Cb -0.10 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1u6a s SER 7 CO 0.33 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1u6a n GLY 8 N 0.69 1.80 3.74 7.32 0.00 -1.26 -1.29 105.19 116.18 1u6a n GLY 8 Ca -0.19 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1u6a n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6a s PRO 9 N -1.94 2.44 0.00 1.61 0.04 -1.26 -4.93 135.00 130.96 1u6a s PRO 9 Ca 0.00 1.71 0.18 0.00 0.04 0.00 0.00 61.00 62.93 1u6a s PRO 9 Cb 0.00 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1u6a s PRO 9 CO 0.00 -1.59 0.82 0.41 0.04 0.00 0.00 177.00 176.68 1u6a n GLY 10 N 0.25 -0.42 3.11 0.56 0.00 -1.26 -4.78 105.19 102.64 1u6a n GLY 10 Ca 0.13 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1u6a n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u6a s LEU 11 N -2.60 1.83 -0.03 0.99 2.96 -1.26 -0.36 118.68 120.21 1u6a s LEU 11 Ca 0.10 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1u6a s LEU 11 Cb 0.14 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.81 1u6a s LEU 11 CO 0.63 0.09 0.03 -0.69 -1.32 0.00 0.00 176.35 175.09 1u6a s VAL 12 N 0.47 -0.03 0.56 1.68 1.01 -0.72 -4.97 120.40 118.40 1u6a s VAL 12 Ca -0.15 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1u6a s VAL 12 Cb -0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1u6a s VAL 12 CO 0.05 0.12 1.16 -0.54 0.00 0.00 0.00 175.10 175.90 1u6a s LYS 13 N 1.34 3.20 0.37 2.72 1.02 -1.25 -1.29 119.74 125.85 1u6a s LYS 13 Ca -0.06 1.70 -0.27 0.00 0.02 0.00 0.00 55.97 57.37 1u6a s LYS 13 Cb -0.13 -1.97 -0.12 0.00 -0.52 0.00 0.00 37.83 35.09 1u6a s LYS 13 CO -0.03 -1.00 1.26 -2.30 -0.92 0.00 0.00 175.35 172.36 1u6a n PRO 14 N -1.42 2.00 -0.67 -1.68 -0.02 -1.26 -2.25 135.00 129.70 1u6a n PRO 14 Ca 0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1u6a n PRO 14 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1u6a n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u6a n SER 15 N 0.62 0.00 -3.87 2.55 3.41 0.33 -4.91 113.62 111.75 1u6a n SER 15 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.44 1u6a n SER 15 Cb 0.37 -0.58 0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1u6a n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u6a n GLU 16 N -2.00 -0.62 -4.42 4.33 1.02 -0.96 -3.86 120.64 114.14 1u6a n GLU 16 Ca 0.00 -2.01 -0.34 0.00 -0.02 0.00 0.00 57.16 54.80 1u6a n GLU 16 Cb 0.00 -0.90 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 1u6a n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1u6a s THR 17 N -3.09 3.92 0.09 2.62 2.01 -1.26 -0.77 115.64 119.16 1u6a s THR 17 Ca 0.61 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 62.06 1u6a s THR 17 Cb -0.02 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.72 1u6a s THR 17 CO 0.42 0.51 0.58 -0.22 -0.69 0.00 0.00 174.62 175.22 1u6a s LEU 18 N 0.15 4.52 -0.13 4.42 2.96 -0.77 -4.96 118.68 124.86 1u6a s LEU 18 Ca -0.01 1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 55.14 1u6a s LEU 18 Cb -0.14 -2.95 0.05 0.00 0.50 0.00 0.00 46.19 43.65 1u6a s LEU 18 CO 0.03 0.26 0.05 -0.44 -1.32 0.00 0.00 176.35 174.92 1u6a s SER 19 N -1.16 2.13 -0.02 3.68 0.01 -1.26 -2.67 113.70 114.41 1u6a s SER 19 Ca 0.30 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.18 1u6a s SER 19 Cb -0.19 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 1u6a s SER 19 CO 0.19 -0.29 -0.19 -0.76 0.41 0.00 0.00 173.24 172.61 1u6a s LEU 20 N 2.03 2.01 -0.03 2.44 1.43 -1.04 -4.38 118.68 121.14 1u6a s LEU 20 Ca 0.02 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1u6a s LEU 20 Cb -0.15 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1u6a s LEU 20 CO -0.07 0.22 -0.21 0.28 0.23 0.00 0.00 176.35 176.80 1u6a s THR 21 N -0.34 1.67 -0.17 5.49 -1.32 -0.41 -0.59 115.64 119.97 1u6a s THR 21 Ca 0.05 -0.89 -0.04 0.00 -1.21 0.00 0.00 61.69 59.60 1u6a s THR 21 Cb -0.09 -1.40 -0.03 0.00 -1.51 0.00 0.00 72.50 69.48 1u6a s THR 21 CO 0.00 0.47 -0.03 0.00 -2.21 0.00 0.00 174.62 172.85 1u6a s THR 23 N 0.59 3.87 0.00 0.00 2.01 -0.29 -2.28 115.64 119.53 1u6a s THR 23 Ca -0.02 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 1u6a s THR 23 Cb -0.14 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.55 1u6a s THR 23 CO 0.02 0.41 0.42 -0.69 -0.69 0.00 0.00 174.62 174.09 1u6a s VAL 24 N 1.22 5.02 -0.01 3.82 1.01 -0.47 -1.92 120.40 129.06 1u6a s VAL 24 Ca 0.03 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1u6a s VAL 24 Cb -0.15 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1u6a s VAL 24 CO 0.01 0.57 -0.10 -0.44 0.00 0.00 0.00 175.10 175.14 1u6a s SER 25 N -1.02 1.21 0.00 3.32 0.01 -0.29 -4.76 113.70 112.17 1u6a s SER 25 Ca 0.24 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1u6a s SER 25 Cb -0.17 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1u6a s SER 25 CO 0.14 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1u6a n GLY 26 N 2.97 1.92 1.85 3.44 0.00 -1.26 -1.00 105.19 113.11 1u6a n GLY 26 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1u6a n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6a n GLY 27 N -2.00 3.21 3.17 -0.02 0.00 -1.26 -4.58 105.19 103.70 1u6a n GLY 27 Ca 0.00 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 1u6a n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u6a s SER 28 N -2.31 1.94 0.12 1.61 0.15 -1.26 -4.98 113.70 108.98 1u6a s SER 28 Ca 0.21 -0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 1u6a s SER 28 Cb 0.01 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1u6a s SER 28 CO 0.15 0.11 1.58 0.40 1.20 0.00 0.00 173.24 176.68 1u6a h ILE 29 N 4.52 1.25 -3.42 6.45 1.08 -1.91 -3.43 117.51 122.05 1u6a h ILE 29 Ca -0.39 -0.94 -0.57 0.00 -0.39 0.00 0.00 64.86 62.58 1u6a h ILE 29 Cb 1.17 1.10 0.12 0.00 -3.07 0.00 0.00 36.82 36.14 1u6a h ILE 29 CO 0.45 0.32 0.46 -1.54 -0.69 0.00 0.00 178.15 177.15 1u6a n SER 30 N -4.49 2.47 0.00 1.72 3.41 -1.26 -2.55 113.62 112.92 1u6a n SER 30 Ca -0.01 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1u6a n SER 30 Cb 0.26 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1u6a n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1u6a n SER 31 N 0.40 0.00 -4.87 4.04 7.64 -1.26 -5.02 113.62 114.55 1u6a n SER 31 Ca 0.06 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.73 1u6a n SER 31 Cb 0.38 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1u6a n SER 31 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1u6a s HIS 32 N -1.79 2.92 0.06 1.43 4.02 -1.06 -4.49 115.29 116.39 1u6a s HIS 32 Ca 0.00 -0.30 -0.02 0.00 1.02 0.00 0.00 55.06 55.76 1u6a s HIS 32 Cb 0.00 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.58 29.68 1u6a s HIS 32 CO 0.00 0.15 0.26 0.71 1.02 0.00 0.00 174.74 176.88 1u6a s TYR 33 N -2.30 3.52 -0.06 1.40 1.51 -1.26 -2.51 117.35 117.66 1u6a s TYR 33 Ca 0.42 0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.86 1u6a s TYR 33 Cb -0.06 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1u6a s TYR 33 CO 0.27 0.56 -0.03 -1.58 -1.11 0.00 0.00 175.55 173.66 1u6a s TRP 34 N -1.49 0.77 0.29 2.71 0.52 -0.35 -0.26 118.94 121.12 1u6a s TRP 34 Ca 0.34 -0.23 0.08 0.00 0.02 0.00 0.00 56.10 56.31 1u6a s TRP 34 Cb -0.13 -0.75 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1u6a s TRP 34 CO 0.24 -0.27 0.16 -1.12 0.02 0.00 0.00 176.95 175.99 1u6a s SER 35 N 1.38 5.11 -0.02 2.95 0.01 0.24 -0.70 113.70 122.67 1u6a s SER 35 Ca -0.04 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.81 1u6a s SER 35 Cb -0.13 -1.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 1u6a s SER 35 CO -0.03 -0.14 -0.22 0.26 0.41 0.00 0.00 173.24 173.52 1u6a s TRP 36 N -2.26 2.02 0.03 2.43 0.52 -0.45 -2.17 118.94 119.07 1u6a s TRP 36 Ca 0.35 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 56.05 1u6a s TRP 36 Cb -0.06 -1.30 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 1u6a s TRP 36 CO 0.24 -0.04 0.04 0.42 0.02 0.00 0.00 176.95 177.63 1u6a s ILE 37 N -0.52 0.14 0.03 2.03 1.01 0.16 -0.80 121.20 123.25 1u6a s ILE 37 Ca 0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 1u6a s ILE 37 Cb -0.09 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1u6a s ILE 37 CO -0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 174.94 174.28 1u6a s ARG 38 N -2.49 0.42 -0.09 2.79 1.70 -0.94 0.95 118.95 121.28 1u6a s ARG 38 Ca -0.06 -0.75 -0.01 0.00 -0.47 0.00 0.00 55.73 54.43 1u6a s ARG 38 Cb -0.02 0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1u6a s ARG 38 CO -0.04 -0.08 -0.00 -1.14 -1.08 0.00 0.00 175.30 172.96 1u6a s GLN 39 N -2.13 0.70 0.49 3.89 0.74 -0.35 -1.34 119.66 121.67 1u6a s GLN 39 Ca -0.10 0.01 -0.21 0.00 0.05 0.00 0.00 55.36 55.12 1u6a s GLN 39 Cb -0.05 -1.16 -0.08 0.00 1.10 0.00 0.00 33.01 32.82 1u6a s GLN 39 CO -0.03 -0.34 1.08 -1.12 -0.55 0.00 0.00 175.29 174.33 1u6a s SER 40 N 1.94 6.17 -0.02 6.67 0.01 -1.25 -1.17 113.70 126.05 1u6a s SER 40 Ca 0.04 2.05 -0.38 0.00 1.31 0.00 0.00 55.95 58.98 1u6a s SER 40 Cb -0.13 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.36 1u6a s SER 40 CO -0.06 -0.90 1.43 -2.65 0.41 0.00 0.00 173.24 171.47 1u6a n PRO 41 N -0.93 1.05 -1.75 12.44 -0.02 -1.26 -0.65 135.00 143.88 1u6a n PRO 41 Ca 0.09 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 1u6a n PRO 41 Cb 0.51 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1u6a n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u6a n GLY 42 N 2.90 1.14 0.55 -1.23 0.00 -1.26 -4.94 105.19 102.35 1u6a n GLY 42 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1u6a n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u6a n LYS 43 N -2.39 0.87 -1.83 1.61 5.02 0.18 -5.17 118.16 116.46 1u6a n LYS 43 Ca -0.19 -0.56 -0.29 0.00 -2.02 0.00 0.00 58.31 55.25 1u6a n LYS 43 Cb 0.61 0.31 0.12 0.00 -0.02 0.00 0.00 35.03 36.04 1u6a n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1u6a s GLY 44 N -1.41 1.62 0.05 0.72 0.00 -1.26 -4.56 107.32 102.48 1u6a s GLY 44 Ca 0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 1u6a s GLY 44 CO 0.02 -0.17 0.73 1.08 0.00 0.00 0.00 173.10 174.76 1u6a s LEU 45 N -5.74 4.46 -0.18 0.66 1.43 -1.26 -3.77 118.68 114.28 1u6a s LEU 45 Ca 0.64 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1u6a s LEU 45 Cb -0.10 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 42.99 1u6a s LEU 45 CO 0.51 0.06 -0.09 -1.58 0.23 0.00 0.00 176.35 175.48 1u6a s GLN 46 N -0.25 1.86 0.20 1.70 0.74 -0.45 -5.02 119.66 118.44 1u6a s GLN 46 Ca 0.36 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 54.76 1u6a s GLN 46 Cb -0.20 -2.26 -0.09 0.00 1.10 0.00 0.00 33.01 31.56 1u6a s GLN 46 CO 0.22 -0.41 1.36 -0.46 -0.55 0.00 0.00 175.29 175.45 1u6a s TRP 47 N 1.48 3.19 -0.21 1.67 -0.00 -1.26 -2.22 118.94 121.58 1u6a s TRP 47 Ca -0.00 1.11 -0.16 0.00 -0.00 0.00 0.00 56.10 57.04 1u6a s TRP 47 Cb -0.16 -3.68 -0.18 0.00 -0.00 0.00 0.00 33.47 29.45 1u6a s TRP 47 CO -0.08 -2.22 0.08 -0.89 -0.00 0.00 0.00 176.95 173.84 1u6a n ILE 48 N 2.80 1.57 0.00 5.86 5.41 0.02 -4.74 119.36 130.28 1u6a n ILE 48 Ca 0.07 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1u6a n ILE 48 Cb 0.42 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 1u6a n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u6a n GLY 49 N 1.52 0.36 3.36 7.39 0.00 -1.20 -1.52 105.19 115.10 1u6a n GLY 49 Ca -0.38 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 1u6a n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u6a s TYR 50 N -2.00 1.66 -0.09 1.61 -0.85 -0.31 -1.34 117.35 116.03 1u6a s TYR 50 Ca 0.00 -1.40 -0.06 0.00 -0.52 0.00 0.00 57.07 55.10 1u6a s TYR 50 Cb 0.00 -0.90 0.04 0.00 0.38 0.00 0.00 41.96 41.48 1u6a s TYR 50 CO 0.00 -0.53 0.23 -1.50 -1.52 0.00 0.00 175.55 172.23 1u6a s ILE 51 N -3.50 -0.03 -0.00 -3.49 2.07 0.12 -2.09 121.20 114.27 1u6a s ILE 51 Ca 0.34 0.10 -0.19 0.00 -1.41 0.00 0.00 60.65 59.49 1u6a s ILE 51 Cb 0.04 -0.34 -0.06 0.00 0.13 0.00 0.00 42.46 42.23 1u6a s ILE 51 CO 0.18 0.04 0.54 -0.47 -1.91 0.00 0.00 174.94 173.32 1u6a s TYR 52 N 0.85 3.69 0.35 3.50 5.04 0.26 -1.21 117.35 129.83 1u6a s TYR 52 Ca -0.06 1.13 0.15 0.00 -2.44 0.00 0.00 57.07 55.85 1u6a s TYR 52 Cb -0.07 -2.51 1.17 0.00 0.35 0.00 0.00 41.96 40.90 1u6a s TYR 52 CO -0.05 0.43 1.57 2.48 -1.34 0.00 0.00 175.55 178.64 1u6a n TYR 53 N 2.47 1.01 0.51 4.97 0.18 -1.04 0.79 117.16 126.05 1u6a n TYR 53 Ca -0.09 1.18 0.05 0.00 1.88 0.00 0.00 57.90 60.92 1u6a n TYR 53 Cb 0.51 -1.48 0.27 0.00 -0.38 0.00 0.00 39.34 38.27 1u6a n TYR 53 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1u6a n SER 54 N -5.32 0.00 0.00 9.48 3.41 -1.26 -4.85 113.62 115.08 1u6a n SER 54 Ca 0.34 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1u6a n SER 54 Cb 1.13 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1u6a n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6a n GLY 55 N -0.35 1.00 3.70 5.00 0.00 0.24 -5.09 105.19 109.69 1u6a n GLY 55 Ca 0.05 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 1u6a n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u6a n SER 56 N 0.01 3.32 -4.41 1.61 2.88 -1.23 -4.66 113.62 111.13 1u6a n SER 56 Ca 0.00 1.12 -0.20 0.00 -1.33 0.00 0.00 58.87 58.46 1u6a n SER 56 Cb 0.00 -1.50 -0.10 0.00 -0.75 0.00 0.00 64.21 61.86 1u6a n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1u6a s THR 57 N 0.27 1.41 -0.28 2.46 -4.23 -1.26 0.90 115.64 114.91 1u6a s THR 57 Ca 0.69 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 1u6a s THR 57 Cb -0.59 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 70.91 1u6a s THR 57 CO 0.45 -0.26 0.58 0.21 -0.54 0.00 0.00 174.62 175.06 1u6a s ASN 58 N -3.41 -0.93 0.26 3.99 2.47 -0.89 -5.00 114.94 111.43 1u6a s ASN 58 Ca 0.30 1.24 0.08 0.00 0.42 0.00 0.00 52.86 54.90 1u6a s ASN 58 Cb 0.05 2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 41.83 1u6a s ASN 58 CO 0.12 -0.24 0.12 -0.31 -3.72 0.00 0.00 177.10 173.07 1u6a s TYR 59 N 2.81 2.93 0.56 0.43 2.02 -1.26 -1.17 117.35 123.67 1u6a s TYR 59 Ca 0.02 -0.17 -0.18 0.00 -0.37 0.00 0.00 57.07 56.37 1u6a s TYR 59 Cb -0.13 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 1u6a s TYR 59 CO -0.18 0.54 1.08 -1.54 -1.57 0.00 0.00 175.55 173.88 1u6a s SER 60 N -3.78 5.82 0.06 2.29 1.04 -0.58 -4.84 113.70 113.72 1u6a s SER 60 Ca 0.33 1.96 -0.32 0.00 0.48 0.00 0.00 55.95 58.40 1u6a s SER 60 Cb -0.07 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.33 1u6a s SER 60 CO 0.23 -1.14 1.49 -0.65 0.98 0.00 0.00 173.24 174.15 1u6a h PRO 61 N 0.87 -1.00 -1.23 4.02 0.11 -1.96 -0.24 132.00 132.57 1u6a h PRO 61 Ca -0.48 0.07 0.36 0.00 0.11 0.00 0.00 66.00 66.05 1u6a h PRO 61 Cb 1.23 0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.52 1u6a h PRO 61 CO 0.57 -0.67 0.89 0.66 -0.21 0.00 0.00 178.00 179.25 1u6a h SER 62 N -1.04 0.00 0.00 -2.05 4.64 -1.98 -2.85 113.55 110.27 1u6a h SER 62 Ca -0.09 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.89 1u6a h SER 62 Cb 0.84 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.87 1u6a h SER 62 CO 0.07 0.00 -2.29 0.18 -0.87 0.00 0.00 176.83 173.92 1u6a n LEU 63 N -4.15 2.45 0.00 5.97 4.77 -1.18 -4.75 117.00 120.11 1u6a n LEU 63 Ca 0.27 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1u6a n LEU 63 Cb 1.30 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1u6a n LEU 63 CO 0.41 0.81 0.00 1.17 -1.33 0.00 0.00 177.39 178.44 1u6a n LYS 64 N -3.08 0.00 0.03 3.23 4.81 -0.11 -0.49 118.16 122.55 1u6a n LYS 64 Ca -0.38 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.09 1u6a n LYS 64 Cb 0.96 0.00 0.15 0.00 0.02 0.00 0.00 35.03 36.16 1u6a n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1u6a n SER 65 N -3.39 0.10 0.00 3.14 3.41 -1.26 -3.04 113.62 112.58 1u6a n SER 65 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1u6a n SER 65 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1u6a n SER 65 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1u6a n ARG 66 N -1.63 -0.01 -3.04 4.33 1.85 0.36 -5.02 116.66 113.50 1u6a n ARG 66 Ca 0.01 -0.12 -0.29 0.00 -1.00 0.00 0.00 57.85 56.44 1u6a n ARG 66 Cb 0.04 -0.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.90 1u6a n ARG 66 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1u6a s VAL 67 N -0.01 4.88 -0.30 8.89 1.01 -1.17 -1.57 120.40 132.14 1u6a s VAL 67 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1u6a s VAL 67 Cb 0.00 -3.74 0.19 0.00 0.00 0.00 0.00 36.38 32.84 1u6a s VAL 67 CO 0.00 -0.45 0.63 -0.89 0.00 0.00 0.00 175.10 174.39 1u6a s THR 68 N -2.27 -0.95 -0.22 3.92 2.01 -0.52 -4.94 115.64 112.67 1u6a s THR 68 Ca 0.48 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.38 1u6a s THR 68 Cb -0.10 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 1u6a s THR 68 CO 0.31 0.00 0.14 -0.63 -0.69 0.00 0.00 174.62 173.75 1u6a s ILE 69 N 2.85 5.29 0.24 1.82 1.01 -1.26 -1.86 121.20 129.30 1u6a s ILE 69 Ca 0.16 0.15 0.10 0.00 0.00 0.00 0.00 60.65 61.06 1u6a s ILE 69 Cb -0.12 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1u6a s ILE 69 CO -0.23 0.38 -0.11 -0.44 0.00 0.00 0.00 174.94 174.54 1u6a s SER 70 N 0.80 4.07 0.08 3.58 0.01 -0.49 -4.98 113.70 116.78 1u6a s SER 70 Ca 0.07 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.63 1u6a s SER 70 Cb -0.13 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1u6a s SER 70 CO 0.02 0.05 -0.16 0.54 0.41 0.00 0.00 173.24 174.11 1u6a s VAL 71 N -2.14 1.25 -0.44 3.43 0.11 -1.26 -0.18 120.40 121.17 1u6a s VAL 71 Ca 0.28 -1.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.04 1u6a s VAL 71 Cb -0.07 -1.18 0.23 0.00 -1.53 0.00 0.00 36.38 33.84 1u6a s VAL 71 CO 0.16 -0.19 0.52 1.21 -3.33 0.00 0.00 175.10 173.48 1u6a n GLU 72 N 1.24 0.93 0.31 1.54 4.07 0.70 -4.95 120.64 124.48 1u6a n GLU 72 Ca -0.21 -3.47 0.14 0.00 -0.06 0.00 0.00 57.16 53.56 1u6a n GLU 72 Cb 0.54 -1.47 0.69 0.00 -0.06 0.00 0.00 31.44 31.14 1u6a n GLU 72 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1u6a h THR 73 N 2.68 0.03 0.00 6.31 2.02 -1.93 0.80 112.91 122.82 1u6a h THR 73 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1u6a h THR 73 Cb 0.85 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1u6a h THR 73 CO 0.51 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 176.29 1u6a n ALA 74 N -1.87 2.41 0.19 6.16 0.00 -1.26 -3.52 120.51 122.62 1u6a n ALA 74 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1u6a n ALA 74 Cb 0.50 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1u6a n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1u6a n LYS 75 N -2.16 5.40 -2.86 0.00 5.02 0.19 -5.00 118.16 118.74 1u6a n LYS 75 Ca 0.05 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1u6a n LYS 75 Cb 0.42 -0.71 0.03 0.00 -0.02 0.00 0.00 35.03 34.75 1u6a n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u6a n ASN 76 N -1.12 -3.45 -4.29 4.39 5.15 -0.68 -4.84 115.26 110.41 1u6a n ASN 76 Ca 0.01 -0.20 -0.16 0.00 -0.60 0.00 0.00 54.58 53.63 1u6a n ASN 76 Cb 0.07 -2.18 -0.10 0.00 -0.53 0.00 0.00 39.78 37.03 1u6a n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1u6a s GLN 77 N -5.38 1.24 -0.13 1.20 -0.21 -1.12 -1.37 119.66 113.88 1u6a s GLN 77 Ca 0.19 -1.61 -0.12 0.00 0.02 0.00 0.00 55.36 53.84 1u6a s GLN 77 Cb -0.09 -0.47 0.03 0.00 1.00 0.00 0.00 33.01 33.49 1u6a s GLN 77 CO 0.27 -0.11 0.36 -0.59 -2.12 0.00 0.00 175.29 173.10 1u6a s PHE 78 N -3.52 -0.39 0.39 0.91 -0.12 -0.97 -0.21 117.98 114.07 1u6a s PHE 78 Ca 0.26 0.96 0.08 0.00 -0.05 0.00 0.00 56.93 58.18 1u6a s PHE 78 Cb 0.06 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.51 1u6a s PHE 78 CO 0.07 -0.19 0.01 -1.12 -0.05 0.00 0.00 175.22 173.93 1u6a s SER 79 N 0.21 3.94 0.08 1.98 0.01 0.75 -1.16 113.70 119.51 1u6a s SER 79 Ca -0.00 -1.26 0.05 0.00 1.31 0.00 0.00 55.95 56.06 1u6a s SER 79 Cb -0.03 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 1u6a s SER 79 CO 0.00 -0.38 -0.14 -0.22 0.41 0.00 0.00 173.24 172.91 1u6a s LEU 80 N -3.71 2.31 -0.12 2.44 2.96 0.24 -1.39 118.68 121.41 1u6a s LEU 80 Ca 0.35 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1u6a s LEU 80 Cb 0.06 -0.52 0.06 0.00 0.50 0.00 0.00 46.19 46.29 1u6a s LEU 80 CO 0.18 -0.09 0.25 -0.54 -1.32 0.00 0.00 176.35 174.83 1u6a s LYS 81 N -1.96 0.14 -0.22 1.98 1.02 -0.78 -2.50 119.74 117.42 1u6a s LYS 81 Ca 0.00 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.71 1u6a s LYS 81 Cb -0.09 -0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1u6a s LYS 81 CO 0.02 -0.27 -0.14 -1.17 -0.92 0.00 0.00 175.35 172.88 1u6a s LEU 82 N 2.25 2.86 0.61 3.17 2.96 -1.09 -1.44 118.68 128.00 1u6a s LEU 82 Ca 0.00 -0.98 -0.10 0.00 -0.22 0.00 0.00 54.13 52.83 1u6a s LEU 82 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1u6a s LEU 82 CO -0.08 -0.10 1.00 0.42 -1.32 0.00 0.00 176.35 176.27 1u6a s THR 82 N 1.23 4.59 -0.48 3.68 -4.23 -0.61 -1.86 115.64 117.96 1u6a s THR 82 Ca -0.01 0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1u6a s THR 82 Cb -0.16 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.88 1u6a s THR 82 CO -0.08 -1.05 0.51 -1.54 -0.54 0.00 0.00 174.62 171.92 1u6a n SER 82 N -2.71 -4.14 -4.78 3.99 3.41 -1.07 -4.92 113.62 103.40 1u6a n SER 82 Ca 0.05 -0.40 -0.36 0.00 -0.26 0.00 0.00 58.87 57.91 1u6a n SER 82 Cb 0.55 -1.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 1u6a n SER 82 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1u6a s MET 82 N -2.92 4.16 0.29 4.33 1.00 0.05 -4.70 119.30 121.50 1u6a s MET 82 Ca 0.19 1.48 0.03 0.00 0.00 0.00 0.00 55.69 57.38 1u6a s MET 82 Cb -0.02 -2.50 -0.04 0.00 0.00 0.00 0.00 34.83 32.27 1u6a s MET 82 CO 0.71 -0.14 0.15 0.95 0.00 0.00 0.00 175.02 176.69 1u6a s THR 83 N -1.70 0.33 0.53 2.05 -4.23 -1.26 0.12 115.64 111.47 1u6a s THR 83 Ca 0.58 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.32 1u6a s THR 83 Cb -0.21 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.46 1u6a s THR 83 CO 0.26 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.38 1u6a h ALA 84 N 2.26 2.35 0.00 3.99 0.00 -1.98 0.28 119.26 126.16 1u6a h ALA 84 Ca -0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u6a h ALA 84 Cb 1.25 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1u6a h ALA 84 CO 0.53 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.31 1u6a h ALA 85 N 1.81 1.13 -0.26 0.00 0.00 -1.95 -0.47 119.26 119.52 1u6a h ALA 85 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u6a h ALA 85 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u6a h ALA 85 CO -0.00 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 1u6a n ASP 86 N -3.29 1.50 -4.68 0.00 8.00 0.99 -4.85 116.55 114.23 1u6a n ASP 86 Ca -0.02 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.12 1u6a n ASP 86 Cb 0.13 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 1u6a n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u6a s THR 87 N -1.66 4.20 0.04 -3.53 2.01 -0.19 -4.88 115.64 111.64 1u6a s THR 87 Ca 0.22 1.50 -0.27 0.00 0.31 0.00 0.00 61.69 63.44 1u6a s THR 87 Cb 0.11 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.75 1u6a s THR 87 CO 0.15 -0.05 1.21 0.00 -0.69 0.00 0.00 174.62 175.24 1u6a s ALA 88 N 2.75 -2.15 -0.30 7.40 0.00 -0.70 -4.47 121.76 124.30 1u6a s ALA 88 Ca 0.57 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1u6a s ALA 88 Cb -0.24 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1u6a s ALA 88 CO 0.20 -1.10 0.35 0.08 0.00 0.00 0.00 175.76 175.29 1u6a s VAL 89 N -2.25 5.19 -0.21 0.00 1.01 -0.32 -0.04 120.40 123.77 1u6a s VAL 89 Ca 0.22 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 1u6a s VAL 89 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1u6a s VAL 89 CO -0.00 0.08 0.30 -0.31 0.00 0.00 0.00 175.10 175.17 1u6a s TYR 90 N 2.02 3.36 0.20 5.22 1.51 0.75 -1.21 117.35 129.20 1u6a s TYR 90 Ca 0.13 0.46 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 1u6a s TYR 90 Cb -0.16 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 1u6a s TYR 90 CO 0.11 0.04 -0.03 0.71 -1.11 0.00 0.00 175.55 175.27 1u6a s TYR 91 N 1.15 2.74 0.03 2.71 1.51 0.27 -0.66 117.35 125.10 1u6a s TYR 91 Ca 0.14 -0.19 0.09 0.00 -1.01 0.00 0.00 57.07 56.10 1u6a s TYR 91 Cb -0.14 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1u6a s TYR 91 CO 0.06 0.55 -0.26 0.00 -1.11 0.00 0.00 175.55 174.79 1u6a s ALA 93 N -0.78 -0.75 0.10 0.00 0.00 -0.92 -0.14 121.76 119.28 1u6a s ALA 93 Ca 0.12 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 1u6a s ALA 93 Cb -0.10 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.16 1u6a s ALA 93 CO 0.02 -0.35 0.80 0.50 0.00 0.00 0.00 175.76 176.73 1u6a s ARG 94 N -2.00 4.56 0.00 0.00 3.52 -0.54 -0.59 118.95 123.90 1u6a s ARG 94 Ca -0.09 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1u6a s ARG 94 Cb -0.03 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1u6a s ARG 94 CO 0.00 0.39 0.00 0.41 -0.81 0.00 0.00 175.30 175.30 1u6a n GLY 95 N 2.04 0.01 0.42 8.12 0.00 0.64 -1.16 105.19 115.26 1u6a n GLY 95 Ca -0.03 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.87 1u6a n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u6a n PRO 96 N 0.00 1.57 -2.89 1.61 -0.04 -1.26 -3.11 135.00 130.88 1u6a n PRO 96 Ca 0.00 -0.85 -0.41 0.00 -0.04 0.00 0.00 63.50 62.21 1u6a n PRO 96 Cb 0.00 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1u6a n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u6a s VAL 97 N -1.90 4.83 0.58 0.52 1.01 -1.26 -2.21 120.40 121.97 1u6a s VAL 97 Ca 0.35 1.76 -0.18 0.00 0.00 0.00 0.00 61.98 63.92 1u6a s VAL 97 Cb 0.18 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1u6a s VAL 97 CO 0.29 0.26 1.09 -2.16 0.00 0.00 0.00 175.10 174.59 1u6a s PRO 98 N 0.51 3.26 0.12 2.72 0.04 -1.26 -4.24 135.00 136.15 1u6a s PRO 98 Ca 0.43 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 1u6a s PRO 98 Cb -0.20 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1u6a s PRO 98 CO 0.24 -0.89 1.59 0.00 0.04 0.00 0.00 177.00 177.98 1u6a h ALA 99 N 0.77 0.47 -2.47 8.56 0.00 -1.90 -3.40 119.26 121.29 1u6a h ALA 99 Ca -0.48 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 1u6a h ALA 99 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u6a h ALA 99 CO 0.57 0.18 0.51 0.08 0.00 0.00 0.00 179.25 180.58 1u6a s VAL 100 N -5.17 4.24 0.18 0.00 1.01 -1.26 -4.94 120.40 114.47 1u6a s VAL 100 Ca -0.13 1.62 -0.13 0.00 0.00 0.00 0.00 61.98 63.34 1u6a s VAL 100 Cb 0.09 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.54 1u6a s VAL 100 CO 0.77 0.13 1.71 2.19 0.00 0.00 0.00 175.10 179.90 1u6a h PHE 100 N 6.74 0.14 -4.03 5.22 -5.15 -2.01 -3.40 116.94 114.45 1u6a h PHE 100 Ca -0.42 0.03 -0.37 0.00 -0.20 0.00 0.00 57.97 57.02 1u6a h PHE 100 Cb 1.22 0.01 0.12 0.00 0.22 0.00 0.00 35.95 37.52 1u6a h PHE 100 CO 0.67 -0.01 0.27 2.48 -2.00 0.00 0.00 178.31 179.72 1u6a n TYR 100 N -5.12 -3.70 0.00 6.09 0.18 -1.26 -4.89 117.16 108.46 1u6a n TYR 100 Ca 0.05 -1.13 0.00 0.00 1.88 0.00 0.00 57.90 58.70 1u6a n TYR 100 Cb 0.24 -0.78 0.00 0.00 -0.38 0.00 0.00 39.34 38.42 1u6a n TYR 100 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1u6a n GLY 100 N -1.99 2.28 3.89 -7.48 0.00 -1.26 -4.89 105.19 95.74 1u6a n GLY 100 Ca 0.14 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1u6a n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u6a s ASP 100 N 0.00 5.25 -0.23 1.61 1.01 -1.26 -4.80 116.67 118.25 1u6a s ASP 100 Ca 0.00 1.03 -0.10 0.00 0.71 0.00 0.00 52.55 54.19 1u6a s ASP 100 Cb 0.00 -1.77 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 1u6a s ASP 100 CO 0.00 -1.45 0.13 -0.31 0.21 0.00 0.00 175.17 173.75 1u6a s TYR 100 N -3.39 3.29 -0.01 4.23 1.51 -1.26 -4.20 117.35 117.52 1u6a s TYR 100 Ca 0.59 0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 56.50 1u6a s TYR 100 Cb -0.11 -2.23 0.08 0.00 -0.11 0.00 0.00 41.96 39.59 1u6a s TYR 100 CO 0.51 0.05 0.72 -0.98 -1.11 0.00 0.00 175.55 174.74 1u6a s ARG 100 N 0.95 1.03 -0.47 -0.62 1.70 -0.94 -5.02 118.95 115.58 1u6a s ARG 100 Ca 0.07 0.04 -0.18 0.00 -0.47 0.00 0.00 55.73 55.18 1u6a s ARG 100 Cb -0.13 0.48 0.05 0.00 -0.57 0.00 0.00 34.95 34.77 1u6a s ARG 100 CO 0.03 -0.36 0.53 -0.51 -1.08 0.00 0.00 175.30 173.91 1u6a s LEU 100 N -1.62 5.02 -0.29 -1.89 1.43 -1.26 -4.26 118.68 115.80 1u6a s LEU 100 Ca -0.06 -0.87 -0.18 0.00 -1.03 0.00 0.00 54.13 52.00 1u6a s LEU 100 Cb -0.00 -2.40 0.17 0.00 0.03 0.00 0.00 46.19 43.99 1u6a s LEU 100 CO 0.02 -0.74 1.14 -0.62 0.23 0.00 0.00 176.35 176.38 1u6a s ASP 101 N 2.35 -0.28 0.96 2.29 2.15 -0.31 -4.77 116.67 119.06 1u6a s ASP 101 Ca 0.13 0.46 -0.15 0.00 0.43 0.00 0.00 52.55 53.42 1u6a s ASP 101 Cb -0.19 1.00 0.17 0.00 -0.30 0.00 0.00 42.92 43.60 1u6a s ASP 101 CO 0.12 -0.07 1.20 -2.84 -0.17 0.00 0.00 175.17 173.41 1u6a s PRO 102 N 1.00 0.72 0.36 4.34 0.02 -1.26 -4.31 135.00 135.87 1u6a s PRO 102 Ca -0.06 -0.03 0.08 0.00 0.02 0.00 0.00 61.00 61.01 1u6a s PRO 102 Cb -0.03 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 1u6a s PRO 102 CO -0.12 -2.42 0.09 -1.58 -0.33 0.00 0.00 177.00 172.64 1u6a s TRP 103 N -3.48 2.61 0.00 6.54 0.52 -1.26 -1.47 118.94 122.40 1u6a s TRP 103 Ca 0.68 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 56.33 1u6a s TRP 103 Cb -0.10 -1.66 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 1u6a s TRP 103 CO 0.53 0.36 0.00 0.41 0.02 0.00 0.00 176.95 178.27 1u6a n GLY 104 N -1.08 1.13 0.09 0.98 0.00 0.81 -4.31 105.19 102.80 1u6a n GLY 104 Ca -0.03 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 1u6a n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u6a n GLN 105 N -0.41 0.63 0.00 1.61 1.13 -1.26 -4.89 117.38 114.18 1u6a n GLN 105 Ca 0.00 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1u6a n GLN 105 Cb 0.00 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.57 1u6a n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u6a n GLY 106 N 1.42 -0.43 2.75 1.08 0.00 -1.26 -5.02 105.19 103.73 1u6a n GLY 106 Ca -0.11 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 1u6a n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u6a s THR 107 N -3.05 -0.08 0.01 2.61 -1.32 0.16 -4.91 115.64 109.07 1u6a s THR 107 Ca 0.00 0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 60.46 1u6a s THR 107 Cb 0.00 -0.12 -0.05 0.00 -1.51 0.00 0.00 72.50 70.83 1u6a s THR 107 CO 0.00 0.11 1.19 -0.22 -2.21 0.00 0.00 174.62 173.50 1u6a s LEU 108 N 1.41 4.33 -0.21 9.08 2.96 -1.26 -0.18 118.68 134.82 1u6a s LEU 108 Ca -0.05 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 55.80 1u6a s LEU 108 Cb -0.13 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1u6a s LEU 108 CO -0.03 -0.51 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.66 1u6a s VAL 109 N 1.55 1.96 -0.18 1.68 1.01 0.94 -4.38 120.40 122.97 1u6a s VAL 109 Ca 0.57 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1u6a s VAL 109 Cb -0.27 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1u6a s VAL 109 CO 0.26 0.24 0.01 -0.89 0.00 0.00 0.00 175.10 174.72 1u6a s THR 110 N 1.26 4.16 -0.31 3.92 2.01 0.51 -1.72 115.64 125.47 1u6a s THR 110 Ca -0.01 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1u6a s THR 110 Cb -0.16 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1u6a s THR 110 CO -0.09 0.45 0.31 -0.69 -0.69 0.00 0.00 174.62 173.92 1u6a s VAL 111 N 0.65 5.21 0.01 3.82 1.01 -1.26 -1.75 120.40 128.09 1u6a s VAL 111 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1u6a s VAL 111 Cb -0.14 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1u6a s VAL 111 CO 0.02 0.06 0.68 -0.55 0.00 0.00 0.00 175.10 175.31 1u6a s SER 112 N 1.71 -0.61 0.09 3.32 0.15 -0.41 -4.60 113.70 113.36 1u6a s SER 112 Ca 0.11 0.47 0.25 0.00 0.70 0.00 0.00 55.95 57.48 1u6a s SER 112 Cb -0.16 0.54 0.50 0.00 -1.71 0.00 0.00 66.02 65.19 1u6a s SER 112 CO 0.11 -0.70 1.44 -1.54 1.20 0.00 0.00 173.24 173.75 1u6a n SER 113 N 0.49 0.61 -4.75 5.45 3.41 -1.26 -3.78 113.62 113.79 1u6a n SER 113 Ca -0.18 0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 1u6a n SER 113 Cb 0.60 0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.64 1u6a n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6a s ALA 114 N -3.11 2.29 0.53 7.33 0.00 -1.26 -5.03 121.76 122.51 1u6a s ALA 114 Ca 0.08 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 1u6a s ALA 114 Cb 0.15 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1u6a s ALA 114 CO 0.69 -1.59 0.90 -1.12 0.00 0.00 0.00 175.76 174.65 1u6a s SER 115 N -2.45 6.31 0.30 0.00 0.01 -1.26 -5.02 113.70 111.60 1u6a s SER 115 Ca 0.69 1.22 -0.26 0.00 1.31 0.00 0.00 55.95 58.91 1u6a s SER 115 Cb -0.23 -2.37 -0.10 0.00 0.21 0.00 0.00 66.02 63.53 1u6a s SER 115 CO 0.44 -0.68 0.92 0.28 0.41 0.00 0.00 173.24 174.61 1u6a s THR 116 N -2.87 4.24 -0.04 1.44 -1.32 -1.26 -4.69 115.64 111.14 1u6a s THR 116 Ca 0.52 1.79 -0.01 0.00 -1.21 0.00 0.00 61.69 62.77 1u6a s THR 116 Cb -0.11 -4.02 0.03 0.00 -1.51 0.00 0.00 72.50 66.90 1u6a s THR 116 CO 0.46 0.18 0.07 -0.75 -2.21 0.00 0.00 174.62 172.37 1u6a s LYS 117 N -1.98 -0.00 0.54 7.08 2.20 0.53 -4.94 119.74 123.18 1u6a s LYS 117 Ca 0.49 0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 56.19 1u6a s LYS 117 Cb -0.19 -0.26 -0.06 0.00 -1.51 0.00 0.00 37.83 35.81 1u6a s LYS 117 CO 0.24 -0.19 1.10 0.20 -0.36 0.00 0.00 175.35 176.33 1u6a s GLY 118 N 1.30 2.52 0.66 5.54 0.00 -1.26 -1.99 107.32 114.09 1u6a s GLY 118 Ca -0.07 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 1u6a s GLY 118 CO -0.04 1.04 1.05 2.56 0.00 0.00 0.00 173.10 177.72 1u6a s PRO 119 N -3.40 3.22 -0.18 2.90 0.04 -1.26 -4.54 135.00 131.78 1u6a s PRO 119 Ca 0.70 0.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.46 1u6a s PRO 119 Cb -0.21 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1u6a s PRO 119 CO 0.27 -0.85 -0.01 -1.12 0.04 0.00 0.00 177.00 175.34 1u6a s SER 120 N -4.07 4.91 -0.18 6.66 0.01 0.49 -4.93 113.70 116.59 1u6a s SER 120 Ca 0.57 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.65 1u6a s SER 120 Cb -0.12 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 1u6a s SER 120 CO 0.54 0.11 -0.04 -0.69 0.41 0.00 0.00 173.24 173.58 1u6a s VAL 121 N 0.70 3.66 0.17 3.43 1.01 -1.26 -0.34 120.40 127.76 1u6a s VAL 121 Ca -0.00 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.67 1u6a s VAL 121 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1u6a s VAL 121 CO 0.02 0.46 -0.24 -0.36 0.00 0.00 0.00 175.10 174.97 1u6a s PHE 122 N 0.88 2.27 0.43 5.22 0.08 -0.11 -4.95 117.98 121.79 1u6a s PHE 122 Ca -0.01 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.54 1u6a s PHE 122 Cb -0.15 -1.15 -0.07 0.00 -0.57 0.00 0.00 43.02 41.08 1u6a s PHE 122 CO 0.01 0.44 0.84 -1.25 -0.10 0.00 0.00 175.22 175.17 1u6a s PRO 123 N -2.50 3.88 -0.79 0.24 0.05 -1.26 -0.41 135.00 134.21 1u6a s PRO 123 Ca 0.18 0.67 0.02 0.00 0.05 0.00 0.00 61.00 61.93 1u6a s PRO 123 Cb -0.08 -2.31 0.21 0.00 0.05 0.00 0.00 34.50 32.37 1u6a s PRO 123 CO 0.09 -0.08 0.70 1.28 0.05 0.00 0.00 177.00 179.03 1u6a n LEU 124 N -1.23 3.76 -4.67 -3.56 4.77 0.15 -4.78 117.00 111.44 1u6a n LEU 124 Ca 0.04 -5.23 -0.43 0.00 -0.03 0.00 0.00 56.01 50.36 1u6a n LEU 124 Cb 0.54 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1u6a n LEU 124 CO 0.46 1.74 0.85 0.00 -1.33 0.00 0.00 177.39 179.11 1u6a n ALA 125 N 1.84 0.95 -2.30 -1.18 0.00 -1.26 -1.98 120.51 116.58 1u6a n ALA 125 Ca 0.23 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.62 1u6a n ALA 125 Cb 0.37 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 1u6a n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1u6a s PRO 126 N -1.57 4.08 0.39 0.00 0.02 -1.26 -4.91 135.00 131.75 1u6a s PRO 126 Ca 0.58 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1u6a s PRO 126 Cb -0.61 -3.87 0.00 0.00 0.02 0.00 0.00 34.50 30.04 1u6a s PRO 126 CO 0.60 -0.93 0.03 -1.13 -0.33 0.00 0.00 177.00 175.24 1u6a n SER 127 N 7.24 2.99 0.11 2.53 3.41 -1.26 -4.54 113.62 124.10 1u6a n SER 127 Ca 0.15 -2.66 0.13 0.00 -0.26 0.00 0.00 58.87 56.24 1u6a n SER 127 Cb 0.45 0.24 0.44 0.00 -0.26 0.00 0.00 64.21 65.08 1u6a n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1u6a n SER 128 N -1.29 0.73 -0.05 4.04 3.41 -1.26 -2.07 113.62 117.12 1u6a n SER 128 Ca -0.15 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 1u6a n SER 128 Cb 0.48 -0.79 0.62 0.00 -0.26 0.00 0.00 64.21 64.27 1u6a n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u6a n LYS 129 N -2.22 0.44 -0.49 4.33 4.76 -1.26 -3.06 118.16 120.66 1u6a n LYS 129 Ca 0.05 -0.11 0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1u6a n LYS 129 Cb 0.36 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 32.20 1u6a n LYS 129 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1u6a n SER 130 N -1.18 1.72 -4.42 4.39 3.41 -0.88 -5.04 113.62 111.62 1u6a n SER 130 Ca 0.12 -3.24 -0.29 0.00 -0.26 0.00 0.00 58.87 55.21 1u6a n SER 130 Cb 0.28 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.67 1u6a n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1u6a s THR 131 N -2.48 2.43 -0.30 6.66 2.01 -1.17 -0.27 115.64 122.53 1u6a s THR 131 Ca 0.32 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.60 1u6a s THR 131 Cb 0.31 -2.10 0.19 0.00 0.01 0.00 0.00 72.50 70.91 1u6a s THR 131 CO -0.04 0.06 0.64 -0.44 -0.69 0.00 0.00 174.62 174.16 1u6a s SER 132 N -2.17 -1.41 0.87 3.53 0.01 -0.25 -5.02 113.70 109.27 1u6a s SER 132 Ca 0.16 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1u6a s SER 132 Cb -0.10 2.02 0.00 0.00 0.21 0.00 0.00 66.02 68.15 1u6a s SER 132 CO 0.08 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1u6a n GLY 133 N 5.41 2.58 0.00 3.44 0.00 -1.26 -1.99 105.19 113.37 1u6a n GLY 133 Ca 0.02 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.66 1u6a n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6a n GLY 134 N 0.00 -0.83 3.37 -0.02 0.00 -1.26 -4.77 105.19 101.69 1u6a n GLY 134 Ca 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1u6a n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u6a s THR 135 N -2.00 2.51 0.07 2.61 -1.32 -0.84 -0.69 115.64 115.98 1u6a s THR 135 Ca 0.20 -0.92 0.07 0.00 -1.21 0.00 0.00 61.69 59.84 1u6a s THR 135 Cb 0.09 -1.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 1u6a s THR 135 CO 0.16 0.58 -0.20 0.00 -2.21 0.00 0.00 174.62 172.95 1u6a s ALA 136 N -0.54 1.72 -0.06 11.08 0.00 0.37 -1.09 121.76 133.25 1u6a s ALA 136 Ca 0.07 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1u6a s ALA 136 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1u6a s ALA 136 CO 0.01 0.36 -0.09 0.00 0.00 0.00 0.00 175.76 176.04 1u6a s ALA 137 N -0.99 2.89 0.14 0.00 0.00 0.63 -0.99 121.76 123.44 1u6a s ALA 137 Ca 0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 1u6a s ALA 137 Cb -0.09 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.93 1u6a s ALA 137 CO 0.03 0.57 0.48 -0.48 0.00 0.00 0.00 175.76 176.36 1u6a s LEU 138 N -0.81 0.02 0.00 0.00 0.05 -0.83 -4.34 118.68 112.78 1u6a s LEU 138 Ca 0.12 -0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.10 1u6a s LEU 138 Cb -0.11 2.14 0.00 0.00 -2.05 0.00 0.00 46.19 46.17 1u6a s LEU 138 CO 0.01 -0.90 0.00 0.61 -0.55 0.00 0.00 176.35 175.52 1u6a n GLY 139 N -0.29 1.17 3.22 -3.48 0.00 -0.84 -0.48 105.19 104.50 1u6a n GLY 139 Ca -0.16 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1u6a n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6a s LEU 141 N -0.98 4.16 -0.52 0.00 2.96 0.45 -0.69 118.68 124.05 1u6a s LEU 141 Ca 0.07 -0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 52.95 1u6a s LEU 141 Cb -0.08 -1.91 0.11 0.00 0.50 0.00 0.00 46.19 44.80 1u6a s LEU 141 CO 0.01 -0.26 0.47 -0.69 -1.32 0.00 0.00 176.35 174.56 1u6a s VAL 142 N 1.49 5.20 0.16 1.68 1.01 0.41 -0.93 120.40 129.41 1u6a s VAL 142 Ca 0.01 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 60.76 1u6a s VAL 142 Cb -0.18 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1u6a s VAL 142 CO 0.04 -0.77 0.12 -0.54 0.00 0.00 0.00 175.10 173.94 1u6a s LYS 143 N 1.69 2.83 -0.81 2.72 1.02 0.53 -1.17 119.74 126.55 1u6a s LYS 143 Ca 0.04 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.12 1u6a s LYS 143 Cb -0.27 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1u6a s LYS 143 CO 0.05 0.48 0.61 -0.25 -0.92 0.00 0.00 175.35 175.32 1u6a n ASP 144 N -0.28 -5.00 -4.19 2.83 8.00 -0.87 -0.38 116.55 116.65 1u6a n ASP 144 Ca -0.08 -0.90 -0.17 0.00 0.71 0.00 0.00 54.79 54.35 1u6a n ASP 144 Cb 0.55 -1.84 -0.11 0.00 -0.02 0.00 0.00 41.12 39.70 1u6a n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1u6a s TYR 145 N -2.94 1.21 -0.25 1.24 -0.85 -1.10 -4.42 117.35 110.24 1u6a s TYR 145 Ca 0.01 -0.55 -0.23 0.00 -0.52 0.00 0.00 57.07 55.78 1u6a s TYR 145 Cb -0.00 -0.66 0.07 0.00 0.38 0.00 0.00 41.96 41.75 1u6a s TYR 145 CO 0.89 0.06 0.67 0.12 -1.52 0.00 0.00 175.55 175.77 1u6a s PHE 146 N -1.92 -0.75 0.00 -3.49 5.36 -0.84 -0.95 117.98 115.39 1u6a s PHE 146 Ca 0.03 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 1u6a s PHE 146 Cb -0.06 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1u6a s PHE 146 CO 0.02 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.07 1u6a n PRO 147 N 2.76 3.33 -2.61 10.12 -0.04 -1.26 -0.34 135.00 146.96 1u6a n PRO 147 Ca -0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 1u6a n PRO 147 Cb 0.55 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.04 1u6a n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1u6a s GLU 148 N 2.06 2.85 0.50 0.54 2.02 -1.26 -4.82 118.70 120.58 1u6a s GLU 148 Ca 0.00 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 54.73 1u6a s GLU 148 Cb 0.00 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1u6a s GLU 148 CO 0.00 -0.61 0.16 -1.25 0.02 0.00 0.00 175.26 173.58 1u6a s PRO 149 N -4.84 2.21 0.05 0.39 0.04 -1.26 -4.86 135.00 126.73 1u6a s PRO 149 Ca 0.53 -2.18 0.08 0.00 0.04 0.00 0.00 61.00 59.48 1u6a s PRO 149 Cb -0.10 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1u6a s PRO 149 CO 0.42 -0.39 -0.23 0.14 0.04 0.00 0.00 177.00 176.97 1u6a s VAL 150 N -2.79 1.90 0.01 -0.36 -7.23 -1.26 -4.25 120.40 106.43 1u6a s VAL 150 Ca 0.22 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.13 1u6a s VAL 150 Cb 0.01 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1u6a s VAL 150 CO 0.13 0.24 -0.25 0.42 -0.31 0.00 0.00 175.10 175.33 1u6a s THR 151 N -0.84 2.21 -0.04 5.32 -4.23 0.88 -4.95 115.64 113.98 1u6a s THR 151 Ca 0.10 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1u6a s THR 151 Cb -0.09 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.94 1u6a s THR 151 CO 0.02 0.46 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.83 1u6a s VAL 152 N -0.73 0.54 0.13 2.29 1.01 -1.25 -0.25 120.40 122.13 1u6a s VAL 152 Ca 0.11 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1u6a s VAL 152 Cb -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1u6a s VAL 152 CO 0.01 0.22 -0.11 -0.94 0.00 0.00 0.00 175.10 174.28 1u6a s SER 153 N 0.84 1.71 -0.08 3.32 1.04 -0.53 -4.94 113.70 115.06 1u6a s SER 153 Ca -0.11 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.42 1u6a s SER 153 Cb -0.14 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1u6a s SER 153 CO 0.00 -0.28 -0.13 0.26 0.98 0.00 0.00 173.24 174.07 1u6a s TRP 154 N -2.89 2.76 -1.38 5.02 0.52 -1.26 0.73 118.94 122.44 1u6a s TRP 154 Ca 0.12 -0.27 -0.02 0.00 0.02 0.00 0.00 56.10 55.94 1u6a s TRP 154 Cb -0.00 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1u6a s TRP 154 CO 0.01 0.09 0.44 0.09 0.02 0.00 0.00 176.95 177.60 1u6a n ASN 155 N 2.66 -0.72 -3.44 2.95 3.02 -0.47 -1.38 115.26 117.87 1u6a n ASN 155 Ca -0.17 -1.02 -0.25 0.00 -0.03 0.00 0.00 54.58 53.11 1u6a n ASN 155 Cb 0.52 -3.04 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 1u6a n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1u6a n SER 156 N -2.95 -4.03 0.00 6.41 7.64 -1.26 -0.52 113.62 118.92 1u6a n SER 156 Ca -0.29 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1u6a n SER 156 Cb 0.68 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 1u6a n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6a n GLY 157 N -1.27 0.95 0.30 0.23 0.00 -0.48 -4.93 105.19 99.99 1u6a n GLY 157 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1u6a n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6a h ALA 158 N 0.00 0.80 -2.92 4.61 0.00 -0.62 -3.41 119.26 117.71 1u6a h ALA 158 Ca 0.00 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.95 1u6a h ALA 158 Cb 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.46 1u6a h ALA 158 CO 0.00 0.67 -0.34 -1.17 0.00 0.00 0.00 179.25 178.41 1u6a s LEU 159 N -9.20 4.11 0.00 0.00 2.96 -0.96 -4.92 118.68 110.66 1u6a s LEU 159 Ca -0.11 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1u6a s LEU 159 Cb 0.13 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.50 1u6a s LEU 159 CO 0.86 -0.04 0.00 1.07 -1.32 0.00 0.00 176.35 176.92 1u6a n THR 160 N 4.51 0.00 -2.67 3.68 5.66 -1.26 -4.10 114.28 120.09 1u6a n THR 160 Ca -0.11 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.53 1u6a n THR 160 Cb 0.51 -0.27 -0.05 0.00 -1.55 0.00 0.00 70.33 68.97 1u6a n THR 160 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1u6a s SER 161 N -2.51 7.01 -0.94 1.09 1.04 -1.26 -3.76 113.70 114.36 1u6a s SER 161 Ca 0.00 1.92 -0.02 0.00 0.48 0.00 0.00 55.95 58.33 1u6a s SER 161 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1u6a s SER 161 CO 0.00 -0.31 0.25 0.61 0.98 0.00 0.00 173.24 174.77 1u6a n GLY 162 N 0.30 -0.05 3.33 7.32 0.00 -1.26 -4.73 105.19 110.09 1u6a n GLY 162 Ca 0.04 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1u6a n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u6a s VAL 163 N -2.82 2.85 -0.16 1.61 1.01 -1.25 -1.30 120.40 120.34 1u6a s VAL 163 Ca 0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1u6a s VAL 163 Cb -0.05 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.18 1u6a s VAL 163 CO 0.15 0.53 -0.04 -1.00 0.00 0.00 0.00 175.10 174.74 1u6a s HIS 164 N 0.46 1.57 -0.30 5.22 3.76 0.14 -4.98 115.29 121.15 1u6a s HIS 164 Ca -0.11 -0.99 -0.07 0.00 -0.15 0.00 0.00 55.06 53.75 1u6a s HIS 164 Cb -0.16 -1.25 0.01 0.00 1.11 0.00 0.00 32.58 32.29 1u6a s HIS 164 CO 0.05 -0.59 0.09 0.99 -0.85 0.00 0.00 174.74 174.43 1u6a s THR 165 N 1.68 3.97 0.72 1.30 2.01 -1.26 -0.65 115.64 123.41 1u6a s THR 165 Ca 0.01 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1u6a s THR 165 Cb -0.15 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.30 1u6a s THR 165 CO -0.08 0.03 1.07 -0.36 -0.69 0.00 0.00 174.62 174.60 1u6a s PHE 166 N 1.49 2.91 0.30 4.92 0.40 -0.81 -4.99 117.98 122.20 1u6a s PHE 166 Ca 0.02 1.47 -0.29 0.00 -0.60 0.00 0.00 56.93 57.53 1u6a s PHE 166 Cb -0.18 -2.95 -0.10 0.00 0.51 0.00 0.00 43.02 40.31 1u6a s PHE 166 CO 0.03 -1.44 1.32 -2.14 0.70 0.00 0.00 175.22 173.69 1u6a s PRO 167 N -4.97 4.35 0.63 0.24 0.02 -1.26 -4.68 135.00 129.33 1u6a s PRO 167 Ca 0.59 2.20 -0.18 0.00 0.02 0.00 0.00 61.00 63.64 1u6a s PRO 167 Cb -0.15 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1u6a s PRO 167 CO 0.55 -0.23 1.23 0.00 -0.33 0.00 0.00 177.00 178.22 1u6a s ALA 168 N -0.80 2.44 -0.04 -1.55 0.00 -1.26 -4.85 121.76 115.70 1u6a s ALA 168 Ca 0.51 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.55 1u6a s ALA 168 Cb -0.40 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.24 1u6a s ALA 168 CO 0.49 -1.39 -0.17 0.08 0.00 0.00 0.00 175.76 174.78 1u6a s VAL 169 N -1.62 1.37 -0.36 0.00 1.01 -0.27 -4.92 120.40 115.61 1u6a s VAL 169 Ca 0.78 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1u6a s VAL 169 Cb -0.32 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1u6a s VAL 169 CO 0.37 0.39 1.14 -0.22 0.00 0.00 0.00 175.10 176.78 1u6a s LEU 170 N -0.05 3.83 0.83 3.92 2.96 -1.26 -1.92 118.68 126.99 1u6a s LEU 170 Ca -0.01 0.90 -0.12 0.00 -0.22 0.00 0.00 54.13 54.68 1u6a s LEU 170 Cb -0.10 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.13 1u6a s LEU 170 CO 0.01 -1.04 1.10 -1.10 -1.32 0.00 0.00 176.35 174.01 1u6a s GLN 171 N 4.00 1.79 0.54 1.98 -0.21 0.39 -4.91 119.66 123.24 1u6a s GLN 171 Ca 0.48 0.68 0.21 0.00 0.02 0.00 0.00 55.36 56.76 1u6a s GLN 171 Cb -0.11 -1.88 1.41 0.00 1.00 0.00 0.00 33.01 33.42 1u6a s GLN 171 CO 0.22 -1.83 2.12 0.66 -2.12 0.00 0.00 175.29 174.33 1u6a h SER 172 N -1.25 0.00 0.14 5.90 4.64 -1.96 -0.68 113.55 120.35 1u6a h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1u6a h SER 172 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1u6a h SER 172 CO 0.58 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 1u6a n SER 173 N -4.34 0.00 0.00 4.97 3.41 -1.26 -4.81 113.62 111.59 1u6a n SER 173 Ca 0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1u6a n SER 173 Cb 0.25 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1u6a n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6a n GLY 174 N -0.30 0.54 3.42 5.00 0.00 -0.26 -5.04 105.19 108.55 1u6a n GLY 174 Ca 0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1u6a n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u6a s LEU 175 N 0.00 2.46 0.78 0.99 1.43 -1.25 -4.91 118.68 118.18 1u6a s LEU 175 Ca 0.00 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1u6a s LEU 175 Cb 0.00 -1.40 0.08 0.00 0.03 0.00 0.00 46.19 44.89 1u6a s LEU 175 CO 0.00 0.22 1.13 -0.31 0.23 0.00 0.00 176.35 177.61 1u6a s TYR 176 N -0.98 2.90 -0.15 0.29 1.51 -0.13 -0.46 117.35 120.33 1u6a s TYR 176 Ca 0.15 0.63 -0.29 0.00 -1.01 0.00 0.00 57.07 56.54 1u6a s TYR 176 Cb -0.10 -3.41 0.10 0.00 -0.11 0.00 0.00 41.96 38.44 1u6a s TYR 176 CO 0.06 -1.67 0.85 0.45 -1.11 0.00 0.00 175.55 174.13 1u6a s SER 177 N -4.57 -0.54 0.21 2.29 0.15 -0.81 -2.05 113.70 108.39 1u6a s SER 177 Ca 0.62 0.71 -0.23 0.00 0.70 0.00 0.00 55.95 57.75 1u6a s SER 177 Cb -0.11 0.61 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1u6a s SER 177 CO 0.48 -0.41 0.74 -1.48 1.20 0.00 0.00 173.24 173.76 1u6a s LEU 178 N -0.79 -0.34 0.08 3.45 2.34 -0.32 -1.11 118.68 121.99 1u6a s LEU 178 Ca -0.04 -0.37 0.05 0.00 0.06 0.00 0.00 54.13 53.83 1u6a s LEU 178 Cb -0.01 2.56 -0.03 0.00 -0.56 0.00 0.00 46.19 48.14 1u6a s LEU 178 CO 0.04 -1.13 -0.14 -0.44 -1.06 0.00 0.00 176.35 173.62 1u6a s SER 179 N -2.85 1.72 -0.09 1.48 0.01 -1.26 -0.45 113.70 112.26 1u6a s SER 179 Ca 0.08 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1u6a s SER 179 Cb -0.04 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.15 1u6a s SER 179 CO -0.00 -0.08 -0.16 -0.55 0.41 0.00 0.00 173.24 172.85 1u6a s SER 180 N -1.83 2.35 0.16 2.44 0.15 0.13 -1.93 113.70 115.17 1u6a s SER 180 Ca -0.01 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.32 1u6a s SER 180 Cb -0.09 -1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 1u6a s SER 180 CO 0.02 0.05 -0.18 0.68 1.20 0.00 0.00 173.24 175.01 1u6a s VAL 181 N 0.74 1.79 -0.09 4.45 -7.23 0.18 -0.07 120.40 120.18 1u6a s VAL 181 Ca -0.12 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1u6a s VAL 181 Cb -0.16 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 35.00 1u6a s VAL 181 CO 0.03 -0.30 0.22 0.54 -0.31 0.00 0.00 175.10 175.28 1u6a s VAL 182 N -1.99 -0.01 -0.23 1.32 0.11 0.37 0.28 120.40 120.24 1u6a s VAL 182 Ca 0.15 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1u6a s VAL 182 Cb -0.06 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1u6a s VAL 182 CO 0.06 0.01 0.11 0.42 -3.33 0.00 0.00 175.10 172.37 1u6a s THR 183 N 0.36 4.87 0.23 5.04 -4.23 -0.42 -1.97 115.64 119.53 1u6a s THR 183 Ca -0.02 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 1u6a s THR 183 Cb -0.03 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 1u6a s THR 183 CO -0.02 0.36 -0.01 0.68 -0.54 0.00 0.00 174.62 175.10 1u6a s VAL 184 N 1.12 1.09 0.07 2.29 -7.23 -0.16 -4.77 120.40 112.80 1u6a s VAL 184 Ca 0.06 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 1u6a s VAL 184 Cb -0.14 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1u6a s VAL 184 CO 0.04 -0.33 1.88 -2.65 -0.31 0.00 0.00 175.10 173.73 1u6a n PRO 185 N -0.43 2.71 -0.17 4.82 -0.02 -1.26 -0.48 135.00 140.18 1u6a n PRO 185 Ca -0.05 0.99 0.12 0.00 -2.02 0.00 0.00 63.50 62.54 1u6a n PRO 185 Cb 0.64 -2.89 0.45 0.00 -0.02 0.00 0.00 33.50 31.67 1u6a n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1u6a h SER 186 N 9.19 0.49 -0.17 2.55 0.02 -1.21 -1.39 113.55 123.03 1u6a h SER 186 Ca -0.48 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1u6a h SER 186 Cb 1.24 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1u6a h SER 186 CO 0.94 0.27 -0.19 0.77 -1.14 0.00 0.00 176.83 177.49 1u6a h SER 187 N 0.53 0.59 0.00 3.07 4.64 -1.91 -2.79 113.55 117.68 1u6a h SER 187 Ca 0.36 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1u6a h SER 187 Cb 0.66 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1u6a h SER 187 CO -0.13 0.79 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 1u6a n SER 188 N -4.15 0.00 0.16 4.97 3.41 -0.53 -3.39 113.62 114.10 1u6a n SER 188 Ca 0.00 -1.37 0.04 0.00 -0.26 0.00 0.00 58.87 57.28 1u6a n SER 188 Cb 0.38 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.53 1u6a n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1u6a h LEU 189 N 0.00 0.00 0.05 1.04 3.38 -1.53 -0.77 115.31 117.48 1u6a h LEU 189 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1u6a h LEU 189 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1u6a h LEU 189 CO 0.00 0.46 -1.48 1.23 0.09 0.00 0.00 178.44 178.74 1u6a h GLY 190 N 2.66 0.12 0.00 0.83 0.00 -1.79 -3.43 103.07 101.46 1u6a h GLY 190 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1u6a h GLY 190 CO 0.06 0.26 -0.16 -1.30 0.00 0.00 0.00 176.54 175.39 1u6a n THR 191 N -3.29 0.43 -1.90 4.70 -2.24 -1.21 -4.99 114.28 105.79 1u6a n THR 191 Ca -0.13 0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 61.65 1u6a n THR 191 Cb 1.02 -1.77 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 1u6a n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1u6a s GLN 192 N -1.39 4.19 -0.13 -0.78 2.00 -0.30 -5.02 119.66 118.23 1u6a s GLN 192 Ca -0.05 2.45 -0.14 0.00 -2.00 0.00 0.00 55.36 55.62 1u6a s GLN 192 Cb 0.01 -3.03 -0.05 0.00 0.80 0.00 0.00 33.01 30.74 1u6a s GLN 192 CO 0.07 -0.47 0.33 0.99 -0.50 0.00 0.00 175.29 175.71 1u6a s THR 193 N -0.65 5.26 -0.17 -0.34 2.01 -1.26 -4.73 115.64 115.77 1u6a s THR 193 Ca 0.56 0.62 0.01 0.00 0.31 0.00 0.00 61.69 63.19 1u6a s THR 193 Cb -0.45 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1u6a s THR 193 CO 0.54 0.42 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.41 1u6a s TYR 194 N 0.16 2.77 -0.04 4.92 1.51 -1.26 -4.96 117.35 120.45 1u6a s TYR 194 Ca 0.19 -1.34 0.02 0.00 -1.01 0.00 0.00 57.07 54.92 1u6a s TYR 194 Cb -0.14 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1u6a s TYR 194 CO 0.06 -0.65 -0.06 0.42 -1.11 0.00 0.00 175.55 174.21 1u6a s ILE 195 N 1.07 0.63 0.07 2.71 1.01 -1.26 -0.58 121.20 124.85 1u6a s ILE 195 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 1u6a s ILE 195 Cb -0.14 -0.61 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 1u6a s ILE 195 CO -0.06 0.23 0.41 0.00 0.00 0.00 0.00 174.94 175.53 1u6a s ASN 197 N -1.60 5.44 -0.14 0.00 0.02 0.22 -1.25 114.94 117.63 1u6a s ASN 197 Ca 0.31 -1.87 -0.13 0.00 -1.02 0.00 0.00 52.86 50.15 1u6a s ASN 197 Cb -0.15 -1.90 -0.05 0.00 0.02 0.00 0.00 41.25 39.17 1u6a s ASN 197 CO 0.17 -0.57 0.27 -0.69 0.02 0.00 0.00 177.10 176.30 1u6a s VAL 198 N 1.26 5.31 -0.05 1.60 1.01 -0.05 -1.45 120.40 128.03 1u6a s VAL 198 Ca 0.06 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1u6a s VAL 198 Cb -0.24 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1u6a s VAL 198 CO -0.02 0.44 -0.06 0.21 0.00 0.00 0.00 175.10 175.67 1u6a s ASN 199 N 0.11 1.14 -0.42 3.32 3.04 0.65 -1.82 114.94 120.96 1u6a s ASN 199 Ca 0.16 -0.16 0.02 0.00 0.04 0.00 0.00 52.86 52.92 1u6a s ASN 199 Cb -0.13 -0.53 0.13 0.00 -1.54 0.00 0.00 41.25 39.18 1u6a s ASN 199 CO 0.04 -0.04 0.21 -2.28 -3.04 0.00 0.00 177.10 171.99 1u6a s HIS 200 N 0.89 2.12 0.18 0.43 5.65 -0.69 -0.09 115.29 123.79 1u6a s HIS 200 Ca -0.11 -2.40 -0.14 0.00 0.25 0.00 0.00 55.06 52.66 1u6a s HIS 200 Cb -0.15 -1.98 0.18 0.00 -1.18 0.00 0.00 32.58 29.45 1u6a s HIS 200 CO 0.01 -0.80 1.69 -0.22 -0.65 0.00 0.00 174.74 174.76 1u6a h LYS 201 N 6.98 0.12 -0.86 2.88 1.63 -1.81 -1.33 116.57 124.17 1u6a h LYS 201 Ca -0.04 -0.01 0.21 0.00 -0.85 0.00 0.00 60.65 59.96 1u6a h LYS 201 Cb 0.94 -0.03 -0.16 0.00 -0.60 0.00 0.00 32.23 32.39 1u6a h LYS 201 CO 0.50 0.08 -0.01 -1.35 -3.45 0.00 0.00 179.45 175.21 1u6a h PRO 202 N 0.12 0.06 -0.43 1.90 0.11 -1.89 0.53 132.00 132.41 1u6a h PRO 202 Ca 0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1u6a h PRO 202 Cb 0.36 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1u6a h PRO 202 CO -0.40 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.30 1u6a n SER 203 N -5.42 3.29 -3.95 -2.05 3.41 -1.09 -4.94 113.62 102.88 1u6a n SER 203 Ca 0.17 -1.97 -0.30 0.00 -0.26 0.00 0.00 58.87 56.51 1u6a n SER 203 Cb 0.58 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1u6a n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1u6a n ASN 204 N 1.36 -4.15 -4.70 4.04 4.05 0.19 -4.91 115.26 111.13 1u6a n ASN 204 Ca 0.20 -0.82 -0.33 0.00 0.45 0.00 0.00 54.58 54.07 1u6a n ASN 204 Cb 0.57 -3.71 -0.09 0.00 1.23 0.00 0.00 39.78 37.79 1u6a n ASN 204 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1u6a s THR 205 N -3.35 4.29 -0.06 -0.44 2.01 -0.76 -5.00 115.64 112.33 1u6a s THR 205 Ca 0.60 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 1u6a s THR 205 Cb -0.31 -2.91 0.04 0.00 0.01 0.00 0.00 72.50 69.33 1u6a s THR 205 CO 0.85 0.40 0.10 -0.54 -0.69 0.00 0.00 174.62 174.73 1u6a s LYS 206 N -1.52 -0.03 0.12 4.92 1.02 -1.26 -1.70 119.74 121.29 1u6a s LYS 206 Ca 0.19 0.45 0.11 0.00 0.02 0.00 0.00 55.97 56.74 1u6a s LYS 206 Cb -0.12 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1u6a s LYS 206 CO 0.10 -0.31 -0.26 0.08 -0.92 0.00 0.00 175.35 174.03 1u6a s VAL 207 N 2.17 2.19 -0.25 3.17 1.01 -0.76 -5.00 120.40 122.93 1u6a s VAL 207 Ca 0.04 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.28 1u6a s VAL 207 Cb -0.12 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1u6a s VAL 207 CO -0.04 0.08 0.06 -1.81 0.00 0.00 0.00 175.10 173.39 1u6a s ASP 208 N -2.01 3.40 -0.18 3.32 1.01 -1.26 -0.87 116.67 120.09 1u6a s ASP 208 Ca 0.13 -1.16 -0.06 0.00 0.71 0.00 0.00 52.55 52.17 1u6a s ASP 208 Cb -0.10 -0.69 -0.03 0.00 1.01 0.00 0.00 42.92 43.11 1u6a s ASP 208 CO 0.06 -0.35 0.02 -0.75 0.21 0.00 0.00 175.17 174.35 1u6a s LYS 209 N 1.78 3.82 -0.03 8.23 2.20 -0.38 -4.91 119.74 130.45 1u6a s LYS 209 Ca 0.03 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1u6a s LYS 209 Cb -0.17 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1u6a s LYS 209 CO -0.17 0.22 0.94 0.21 -0.36 0.00 0.00 175.35 176.19 1u6a s LYS 210 N 0.48 4.52 -0.29 4.03 2.20 -1.26 -0.72 119.74 128.69 1u6a s LYS 210 Ca 0.00 1.33 -0.05 0.00 -0.36 0.00 0.00 55.97 56.90 1u6a s LYS 210 Cb -0.13 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1u6a s LYS 210 CO 0.02 -0.08 0.03 0.08 -0.36 0.00 0.00 175.35 175.04 1u6a s VAL 211 N 1.17 3.49 0.34 4.02 1.01 0.26 -4.89 120.40 125.79 1u6a s VAL 211 Ca 0.49 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1u6a s VAL 211 Cb -0.20 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1u6a s VAL 211 CO 0.25 0.04 0.03 -1.61 0.00 0.00 0.00 175.10 173.80 1u6a s GLU 212 N 1.40 1.71 0.00 2.72 2.02 -1.26 -4.38 118.70 120.91 1u6a s GLU 212 Ca -0.00 -1.94 0.21 0.00 0.02 0.00 0.00 54.97 53.26 1u6a s GLU 212 Cb -0.18 -1.11 1.25 0.00 0.10 0.00 0.00 34.13 34.20 1u6a s GLU 212 CO 0.00 -0.12 1.63 -2.30 0.02 0.00 0.00 175.26 174.50