#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6a s ILE 2 N 0.00 0.43 -0.02 6.31 2.07 -1.26 -4.92 121.20 123.80 1u6a s ILE 2 Ca 0.00 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.08 1u6a s ILE 2 Cb 0.00 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 1u6a s ILE 2 CO 0.00 0.13 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.30 1u6a s VAL 3 N 0.02 1.35 -0.15 4.00 1.01 -1.26 -4.94 120.40 120.42 1u6a s VAL 3 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1u6a s VAL 3 Cb -0.04 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1u6a s VAL 3 CO -0.00 0.39 0.14 -0.76 0.00 0.00 0.00 175.10 174.86 1u6a s LEU 4 N -0.22 4.33 -0.22 3.92 1.43 -1.26 -0.77 118.68 125.89 1u6a s LEU 4 Ca 0.03 0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1u6a s LEU 4 Cb -0.08 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.11 1u6a s LEU 4 CO 0.00 0.32 -0.04 -0.89 0.23 0.00 0.00 176.35 175.98 1u6a s THR 5 N -0.52 1.29 0.35 5.49 2.01 0.15 -4.45 115.64 119.96 1u6a s THR 5 Ca 0.13 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1u6a s THR 5 Cb -0.12 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 1u6a s THR 5 CO 0.02 -0.10 0.63 -1.10 -0.69 0.00 0.00 174.62 173.38 1u6a s GLN 6 N 1.51 3.63 -0.21 4.92 -0.21 -1.26 -1.29 119.66 126.75 1u6a s GLN 6 Ca -0.04 0.09 -0.27 0.00 0.02 0.00 0.00 55.36 55.15 1u6a s GLN 6 Cb -0.18 -2.55 0.09 0.00 1.00 0.00 0.00 33.01 31.37 1u6a s GLN 6 CO -0.07 0.09 0.85 -1.54 -2.12 0.00 0.00 175.29 172.50 1u6a s SER 7 N -3.43 -0.58 0.87 5.90 1.04 -0.69 -4.65 113.70 112.15 1u6a s SER 7 Ca 0.45 0.96 -0.12 0.00 0.48 0.00 0.00 55.95 57.72 1u6a s SER 7 Cb -0.10 0.92 0.11 0.00 0.10 0.00 0.00 66.02 67.04 1u6a s SER 7 CO 0.33 -0.31 1.14 -2.16 0.98 0.00 0.00 173.24 173.23 1u6a s PRO 8 N -0.23 1.51 0.16 4.02 0.04 -1.26 -1.68 135.00 137.56 1u6a s PRO 8 Ca -0.02 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 1u6a s PRO 8 Cb -0.03 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1u6a s PRO 8 CO 0.01 -1.94 1.62 0.78 0.04 0.00 0.00 177.00 177.51 1u6a h GLY 9 N -1.31 0.99 -4.48 0.56 0.00 -1.86 -3.41 103.07 93.55 1u6a h GLY 9 Ca -0.49 -0.71 -0.37 0.00 0.00 0.00 0.00 47.33 45.76 1u6a h GLY 9 CO 0.63 0.66 -0.76 -1.59 0.00 0.00 0.00 176.54 175.47 1u6a s THR 10 N -5.06 0.96 -0.03 4.70 2.01 -1.26 -1.46 115.64 115.50 1u6a s THR 10 Ca -0.12 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 1u6a s THR 10 Cb 0.12 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.68 1u6a s THR 10 CO 0.83 -0.29 0.03 -0.22 -0.69 0.00 0.00 174.62 174.28 1u6a s LEU 11 N -1.76 0.75 -0.24 4.42 2.96 0.30 -4.91 118.68 120.20 1u6a s LEU 11 Ca -0.03 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1u6a s LEU 11 Cb -0.09 -0.17 0.01 0.00 0.50 0.00 0.00 46.19 46.44 1u6a s LEU 11 CO 0.02 -0.17 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.40 1u6a s SER 12 N 1.50 4.35 0.11 3.68 0.01 -1.26 -0.00 113.70 122.09 1u6a s SER 12 Ca -0.03 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.56 1u6a s SER 12 Cb -0.13 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1u6a s SER 12 CO -0.03 -0.10 -0.08 -0.76 0.41 0.00 0.00 173.24 172.69 1u6a s LEU 13 N 1.39 2.50 0.31 2.44 1.43 -0.29 -4.85 118.68 121.61 1u6a s LEU 13 Ca 0.03 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.21 1u6a s LEU 13 Cb -0.16 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 1u6a s LEU 13 CO -0.04 -0.40 0.44 -0.44 0.23 0.00 0.00 176.35 176.14 1u6a s SER 14 N -2.98 6.09 0.50 2.29 0.01 -1.26 0.94 113.70 119.29 1u6a s SER 14 Ca 0.12 -0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 1u6a s SER 14 Cb 0.03 -1.46 -0.07 0.00 0.21 0.00 0.00 66.02 64.73 1u6a s SER 14 CO -0.03 -0.32 1.21 0.00 0.41 0.00 0.00 173.24 174.52 1u6a n ALA 15 N -1.58 1.05 0.00 1.44 0.00 -1.26 -2.51 120.51 117.65 1u6a n ALA 15 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1u6a n ALA 15 Cb 0.58 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1u6a n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6a n GLY 16 N 0.93 2.54 3.70 0.00 0.00 0.49 -4.92 105.19 107.93 1u6a n GLY 16 Ca 0.09 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1u6a n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u6a s GLU 17 N 0.00 1.65 0.01 1.61 2.02 -1.05 -4.11 118.70 118.84 1u6a s GLU 17 Ca 0.00 1.74 -0.15 0.00 0.02 0.00 0.00 54.97 56.58 1u6a s GLU 17 Cb 0.00 -1.78 -0.06 0.00 0.10 0.00 0.00 34.13 32.39 1u6a s GLU 17 CO 0.00 -2.20 0.41 0.50 0.02 0.00 0.00 175.26 174.00 1u6a s ARG 18 N -4.16 3.92 -0.11 1.61 3.52 -1.25 -0.71 118.95 121.77 1u6a s ARG 18 Ca 0.73 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 56.73 1u6a s ARG 18 Cb -0.28 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1u6a s ARG 18 CO 0.51 0.69 -0.03 0.00 -0.81 0.00 0.00 175.30 175.65 1u6a s ALA 19 N -1.09 3.09 -0.31 6.12 0.00 0.14 -4.96 121.76 124.75 1u6a s ALA 19 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1u6a s ALA 19 Cb -0.17 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.58 1u6a s ALA 19 CO 0.14 0.41 0.05 0.99 0.00 0.00 0.00 175.76 177.34 1u6a s THR 20 N -0.29 1.71 -0.06 0.00 2.01 -1.26 -1.50 115.64 116.26 1u6a s THR 20 Ca 0.05 -1.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.08 1u6a s THR 20 Cb -0.12 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1u6a s THR 20 CO 0.02 -0.54 0.28 -0.76 -0.69 0.00 0.00 174.62 172.93 1u6a s LEU 21 N 1.21 4.43 -0.02 4.42 1.43 0.64 -4.75 118.68 126.04 1u6a s LEU 21 Ca 0.08 0.72 0.07 0.00 -1.03 0.00 0.00 54.13 53.97 1u6a s LEU 21 Cb -0.18 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1u6a s LEU 21 CO -0.13 0.36 -0.23 -0.44 0.23 0.00 0.00 176.35 176.14 1u6a s SER 22 N -1.07 3.28 -0.09 2.29 0.01 -0.68 -1.04 113.70 116.41 1u6a s SER 22 Ca 0.20 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1u6a s SER 22 Cb -0.14 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 65.67 1u6a s SER 22 CO 0.09 0.32 0.01 0.00 0.41 0.00 0.00 173.24 174.07 1u6a s ARG 24 N 1.97 2.25 -0.09 0.00 0.52 -0.41 -0.39 118.95 122.79 1u6a s ARG 24 Ca 0.04 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1u6a s ARG 24 Cb -0.13 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1u6a s ARG 24 CO -0.06 0.58 -0.03 0.00 0.02 0.00 0.00 175.30 175.81 1u6a s ALA 25 N -0.70 3.11 -1.57 2.13 0.00 -0.70 0.31 121.76 124.34 1u6a s ALA 25 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1u6a s ALA 25 Cb -0.10 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1u6a s ALA 25 CO 0.00 0.51 0.25 -1.13 0.00 0.00 0.00 175.76 175.39 1u6a n SER 26 N 2.44 0.14 -3.59 0.00 3.41 0.05 -4.63 113.62 111.44 1u6a n SER 26 Ca -0.18 -0.64 -0.05 0.00 -0.26 0.00 0.00 58.87 57.74 1u6a n SER 26 Cb 0.53 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1u6a n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1u6a s GLN 27 N -1.57 0.34 0.46 4.33 -0.21 -1.26 -4.84 119.66 116.91 1u6a s GLN 27 Ca 0.00 -0.06 -0.25 0.00 0.02 0.00 0.00 55.36 55.07 1u6a s GLN 27 Cb 0.00 0.16 -0.08 0.00 1.00 0.00 0.00 33.01 34.09 1u6a s GLN 27 CO 0.00 -0.14 1.39 0.45 -2.12 0.00 0.00 175.29 174.87 1u6a n SER 27 N 0.15 3.09 -3.97 5.90 2.88 -1.26 -4.67 113.62 115.74 1u6a n SER 27 Ca -0.02 1.10 -0.21 0.00 -1.33 0.00 0.00 58.87 58.41 1u6a n SER 27 Cb 0.59 -1.58 -0.16 0.00 -0.75 0.00 0.00 64.21 62.31 1u6a n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1u6a s VAL 28 N -1.20 0.80 0.17 2.46 1.01 0.50 -4.99 120.40 119.14 1u6a s VAL 28 Ca 0.62 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 1u6a s VAL 28 Cb -0.46 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 1u6a s VAL 28 CO 0.57 0.27 1.54 -0.44 0.00 0.00 0.00 175.10 177.03 1u6a s SER 29 N 0.56 6.62 0.64 3.32 0.01 -1.26 -4.10 113.70 119.48 1u6a s SER 29 Ca -0.09 2.59 0.31 0.00 1.31 0.00 0.00 55.95 60.06 1u6a s SER 29 Cb -0.13 -2.60 1.66 0.00 0.21 0.00 0.00 66.02 65.17 1u6a s SER 29 CO 0.01 -0.80 1.97 0.28 0.41 0.00 0.00 173.24 175.12 1u6a h SER 30 N 6.63 0.00 0.89 2.44 0.02 -1.96 -0.26 113.55 121.31 1u6a h SER 30 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1u6a h SER 30 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1u6a h SER 30 CO 0.90 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 174.48 1u6a n ARG 31 N -3.19 0.08 0.00 3.45 1.85 -1.26 -2.15 116.66 115.44 1u6a n ARG 31 Ca 0.01 0.19 0.10 0.00 -1.00 0.00 0.00 57.85 57.15 1u6a n ARG 31 Cb 0.41 -1.62 0.07 0.00 -1.05 0.00 0.00 32.46 30.27 1u6a n ARG 31 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u6a n TYR 32 N -1.77 0.00 -3.76 2.89 4.02 -0.11 -4.41 117.16 114.02 1u6a n TYR 32 Ca 0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.57 1u6a n TYR 32 Cb 0.29 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.50 1u6a n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1u6a s LEU 33 N -1.85 3.80 0.14 7.72 2.96 -1.15 -2.99 118.68 127.30 1u6a s LEU 33 Ca 0.23 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1u6a s LEU 33 Cb 0.17 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1u6a s LEU 33 CO 0.31 0.03 -0.14 0.00 -1.32 0.00 0.00 176.35 175.22 1u6a s ALA 34 N 1.25 1.62 -0.05 5.97 0.00 -0.16 -1.22 121.76 129.17 1u6a s ALA 34 Ca 0.06 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.69 1u6a s ALA 34 Cb -0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1u6a s ALA 34 CO 0.05 0.10 -0.20 -1.58 0.00 0.00 0.00 175.76 174.13 1u6a s TRP 35 N -2.31 2.55 0.07 0.00 0.52 0.17 -0.38 118.94 119.56 1u6a s TRP 35 Ca 0.12 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 55.87 1u6a s TRP 35 Cb -0.04 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1u6a s TRP 35 CO 0.04 -0.02 -0.18 0.71 0.02 0.00 0.00 176.95 177.52 1u6a s TYR 36 N -0.43 1.51 -0.08 -1.98 1.51 0.16 -0.73 117.35 117.31 1u6a s TYR 36 Ca 0.05 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1u6a s TYR 36 Cb -0.12 -0.86 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1u6a s TYR 36 CO 0.02 0.11 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.23 1u6a s GLN 37 N -1.58 2.79 -0.16 -0.62 0.74 0.03 -0.91 119.66 119.96 1u6a s GLN 37 Ca 0.03 -0.80 -0.02 0.00 0.05 0.00 0.00 55.36 54.62 1u6a s GLN 37 Cb -0.09 -2.34 0.05 0.00 1.10 0.00 0.00 33.01 31.72 1u6a s GLN 37 CO 0.03 0.38 0.01 -1.14 -0.55 0.00 0.00 175.29 174.02 1u6a s GLN 38 N -0.12 0.77 0.31 1.67 0.74 0.17 -0.94 119.66 122.25 1u6a s GLN 38 Ca -0.03 -0.31 -0.10 0.00 0.05 0.00 0.00 55.36 54.96 1u6a s GLN 38 Cb -0.14 -1.82 -0.07 0.00 1.10 0.00 0.00 33.01 32.08 1u6a s GLN 38 CO 0.04 -0.52 0.66 0.15 -0.55 0.00 0.00 175.29 175.06 1u6a s LYS 39 N 1.85 3.82 -0.16 1.67 1.02 -1.26 -1.32 119.74 125.35 1u6a s LYS 39 Ca 0.01 0.38 -0.32 0.00 0.02 0.00 0.00 55.97 56.06 1u6a s LYS 39 Cb -0.16 -2.52 -0.15 0.00 -0.52 0.00 0.00 37.83 34.49 1u6a s LYS 39 CO -0.07 0.16 0.96 -2.30 -0.92 0.00 0.00 175.35 173.17 1u6a n PRO 40 N -0.66 0.00 -3.96 -1.68 -0.02 -1.26 -2.27 135.00 125.15 1u6a n PRO 40 Ca 0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 1u6a n PRO 40 Cb 0.53 -1.10 0.01 0.00 -0.02 0.00 0.00 33.50 32.92 1u6a n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u6a n GLY 41 N 1.90 -0.77 3.49 -1.23 0.00 -1.26 -4.96 105.19 102.36 1u6a n GLY 41 Ca 0.18 0.34 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 1u6a n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u6a s GLN 42 N -6.90 1.12 0.62 1.61 0.74 -0.96 -5.16 119.66 110.73 1u6a s GLN 42 Ca 0.40 0.05 -0.18 0.00 0.05 0.00 0.00 55.36 55.69 1u6a s GLN 42 Cb -0.19 0.52 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 1u6a s GLN 42 CO 0.93 -0.39 1.18 0.00 -0.55 0.00 0.00 175.29 176.46 1u6a s ALA 43 N -1.91 2.49 0.88 1.58 0.00 -1.26 -4.53 121.76 119.01 1u6a s ALA 43 Ca -0.08 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1u6a s ALA 43 Cb -0.00 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.82 1u6a s ALA 43 CO 0.04 -1.23 1.11 -2.14 0.00 0.00 0.00 175.76 173.54 1u6a s PRO 44 N -3.52 1.38 0.01 0.00 0.02 -1.26 -4.62 135.00 127.00 1u6a s PRO 44 Ca 0.75 1.28 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 1u6a s PRO 44 Cb -0.28 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 1u6a s PRO 44 CO 0.35 -2.29 0.07 -0.98 -0.33 0.00 0.00 177.00 173.82 1u6a s ARG 45 N -4.76 0.43 0.30 5.54 1.70 -0.12 -4.96 118.95 117.08 1u6a s ARG 45 Ca 0.64 -0.52 -0.28 0.00 -0.47 0.00 0.00 55.73 55.10 1u6a s ARG 45 Cb -0.20 0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.26 1u6a s ARG 45 CO 0.58 -0.09 1.03 -1.17 -1.08 0.00 0.00 175.30 174.56 1u6a s LEU 46 N -1.51 4.45 0.02 -1.89 2.96 -1.26 -0.79 118.68 120.67 1u6a s LEU 46 Ca -0.14 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 1u6a s LEU 46 Cb -0.08 -3.80 0.00 0.00 0.50 0.00 0.00 46.19 42.82 1u6a s LEU 46 CO -0.00 -0.14 0.00 0.18 -1.32 0.00 0.00 176.35 175.06 1u6a n LEU 47 N 0.89 0.21 -3.91 -0.68 4.77 0.09 -4.80 117.00 113.57 1u6a n LEU 47 Ca 0.00 0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 1u6a n LEU 47 Cb 0.47 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1u6a n LEU 47 CO 0.50 -0.17 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.36 1u6a s ILE 48 N -2.00 0.45 0.24 -0.08 1.01 -1.13 -0.42 121.20 119.27 1u6a s ILE 48 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.59 1u6a s ILE 48 Cb 0.00 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1u6a s ILE 48 CO 0.00 0.17 -0.11 -0.72 0.00 0.00 0.00 174.94 174.28 1u6a s TYR 49 N 0.50 1.86 -1.66 3.97 -0.85 0.54 0.46 117.35 122.17 1u6a s TYR 49 Ca -0.06 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1u6a s TYR 49 Cb -0.10 -0.94 0.00 0.00 0.38 0.00 0.00 41.96 41.30 1u6a s TYR 49 CO -0.00 0.36 0.00 0.41 -1.52 0.00 0.00 175.55 174.79 1u6a n GLY 50 N -0.48 -0.47 4.43 5.49 0.00 -1.12 -0.77 105.19 112.26 1u6a n GLY 50 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1u6a n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6a n ALA 51 N -2.02 0.00 -0.94 4.61 0.00 -0.35 -4.17 120.51 117.63 1u6a n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1u6a n ALA 51 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1u6a n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u6a n SER 52 N 0.81 0.00 -4.68 0.00 3.41 -1.17 -3.32 113.62 108.67 1u6a n SER 52 Ca 0.00 -0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 57.28 1u6a n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1u6a n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1u6a s SER 53 N 0.00 7.01 0.15 4.04 0.01 0.05 -4.46 113.70 120.50 1u6a s SER 53 Ca 0.00 1.23 -0.27 0.00 1.31 0.00 0.00 55.95 58.22 1u6a s SER 53 Cb 0.00 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 1u6a s SER 53 CO 0.00 -0.33 0.85 -0.60 0.41 0.00 0.00 173.24 173.57 1u6a s ARG 54 N 1.75 4.65 0.52 12.44 3.52 -1.26 -0.34 118.95 140.24 1u6a s ARG 54 Ca 0.40 1.27 -0.19 0.00 -0.13 0.00 0.00 55.73 57.08 1u6a s ARG 54 Cb -0.17 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 1u6a s ARG 54 CO 0.15 0.43 1.06 0.00 -0.81 0.00 0.00 175.30 176.13 1u6a s ALA 55 N -0.70 2.80 0.12 6.12 0.00 0.44 -4.91 121.76 125.62 1u6a s ALA 55 Ca 0.40 0.60 -0.35 0.00 0.00 0.00 0.00 51.96 52.61 1u6a s ALA 55 Cb -0.23 -3.27 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 1u6a s ALA 55 CO 0.28 -0.54 1.18 2.41 0.00 0.00 0.00 175.76 179.09 1u6a n THR 56 N -1.30 0.50 -0.64 0.00 -1.04 -1.26 -1.47 114.28 109.07 1u6a n THR 56 Ca 0.10 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1u6a n THR 56 Cb 0.52 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1u6a n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u6a n GLY 57 N 2.11 1.65 3.71 3.41 0.00 -1.26 -5.02 105.19 109.79 1u6a n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1u6a n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u6a s ILE 58 N -3.57 4.90 0.62 -0.61 -1.09 -0.54 -5.01 121.20 115.90 1u6a s ILE 58 Ca 0.00 1.93 -0.17 0.00 -2.23 0.00 0.00 60.65 60.17 1u6a s ILE 58 Cb 0.00 -4.26 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 1u6a s ILE 58 CO 0.00 0.17 0.40 -2.65 -1.23 0.00 0.00 174.94 171.63 1u6a n PRO 59 N 3.97 0.37 0.21 2.79 -0.02 -1.26 -4.89 135.00 136.17 1u6a n PRO 59 Ca 0.05 0.15 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 1u6a n PRO 59 Cb 0.51 -1.63 0.45 0.00 -0.02 0.00 0.00 33.50 32.81 1u6a n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1u6a h ASP 60 N -0.01 0.00 0.04 2.55 3.32 -2.01 -2.92 116.42 117.39 1u6a h ASP 60 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1u6a h ASP 60 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1u6a h ASP 60 CO 0.44 0.30 0.00 0.08 -1.72 0.00 0.00 179.24 178.34 1u6a h ARG 61 N 0.00 0.00 -5.95 3.56 0.11 -1.92 -3.40 114.38 106.78 1u6a h ARG 61 Ca -0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.49 1u6a h ARG 61 Cb 0.60 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.61 1u6a h ARG 61 CO 0.04 0.00 -0.13 -0.06 0.10 0.00 0.00 179.97 179.92 1u6a s PHE 62 N -3.88 3.65 -0.28 4.08 0.08 -1.10 -0.47 117.98 120.05 1u6a s PHE 62 Ca -0.04 1.03 -0.21 0.00 0.12 0.00 0.00 56.93 57.83 1u6a s PHE 62 Cb 0.10 -2.47 0.10 0.00 -0.57 0.00 0.00 43.02 40.18 1u6a s PHE 62 CO 0.33 0.41 0.85 -1.54 -0.10 0.00 0.00 175.22 175.16 1u6a s SER 63 N -0.30 -0.67 0.08 1.36 1.04 -0.56 -4.97 113.70 109.67 1u6a s SER 63 Ca 0.26 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.91 1u6a s SER 63 Cb -0.17 1.24 -0.04 0.00 0.10 0.00 0.00 66.02 67.15 1u6a s SER 63 CO 0.14 -0.20 0.07 -0.83 0.98 0.00 0.00 173.24 173.40 1u6a s GLY 64 N 0.86 2.01 0.19 7.32 0.00 -1.26 -0.70 107.32 115.73 1u6a s GLY 64 Ca -0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1u6a s GLY 64 CO -0.10 -1.00 0.28 -1.14 0.00 0.00 0.00 173.10 171.14 1u6a n SER 65 N 0.51 -0.77 0.00 1.64 3.41 -0.13 -4.26 113.62 114.01 1u6a n SER 65 Ca -0.09 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1u6a n SER 65 Cb 0.52 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 1u6a n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6a n GLY 66 N -0.30 1.25 3.70 5.00 0.00 -1.26 -0.78 105.19 112.80 1u6a n GLY 66 Ca -0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 1u6a n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u6a s SER 67 N 0.00 -0.22 0.00 1.61 0.01 -1.05 -4.90 113.70 109.16 1u6a s SER 67 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1u6a s SER 67 Cb 0.00 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1u6a s SER 67 CO 0.00 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1u6a n GLY 68 N -0.43 0.21 0.00 3.44 0.00 -1.26 -2.08 105.19 105.07 1u6a n GLY 68 Ca -0.07 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1u6a n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u6a n THR 69 N 0.00 0.00 -3.80 2.61 -2.24 -1.26 -0.37 114.28 109.22 1u6a n THR 69 Ca 0.00 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1u6a n THR 69 Cb 0.00 1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 69.34 1u6a n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u6a s ASP 70 N -0.18 4.06 0.11 3.42 2.15 -0.89 -1.72 116.67 123.62 1u6a s ASP 70 Ca 0.00 -1.62 0.04 0.00 0.43 0.00 0.00 52.55 51.40 1u6a s ASP 70 Cb 0.00 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.58 1u6a s ASP 70 CO 0.00 -0.38 0.10 -0.36 -0.17 0.00 0.00 175.17 174.36 1u6a s PHE 71 N 1.49 3.17 -0.00 -5.34 0.40 0.47 -2.54 117.98 115.64 1u6a s PHE 71 Ca 0.08 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1u6a s PHE 71 Cb -0.18 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.78 1u6a s PHE 71 CO -0.19 0.52 -0.02 0.99 0.70 0.00 0.00 175.22 177.22 1u6a s THR 72 N -1.54 0.14 -0.15 0.64 2.01 0.04 -0.75 115.64 116.03 1u6a s THR 72 Ca 0.30 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1u6a s THR 72 Cb -0.11 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1u6a s THR 72 CO 0.22 0.04 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.94 1u6a s LEU 73 N 0.02 3.23 -0.07 4.42 2.96 -0.21 -0.96 118.68 128.07 1u6a s LEU 73 Ca 0.00 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1u6a s LEU 73 Cb -0.01 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1u6a s LEU 73 CO -0.00 0.18 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.15 1u6a s THR 74 N 0.29 1.47 -0.40 3.68 2.01 0.12 -0.26 115.64 122.55 1u6a s THR 74 Ca -0.04 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 1u6a s THR 74 Cb -0.14 -1.30 0.09 0.00 0.01 0.00 0.00 72.50 71.16 1u6a s THR 74 CO 0.03 0.43 0.22 -0.63 -0.69 0.00 0.00 174.62 173.98 1u6a s ILE 75 N 0.44 3.77 0.19 1.82 1.01 -0.56 -1.50 121.20 126.36 1u6a s ILE 75 Ca -0.14 -1.64 -0.17 0.00 0.00 0.00 0.00 60.65 58.70 1u6a s ILE 75 Cb -0.16 -3.39 0.15 0.00 0.01 0.00 0.00 42.46 39.07 1u6a s ILE 75 CO 0.05 -0.54 1.63 0.77 0.00 0.00 0.00 174.94 176.85 1u6a h SER 76 N 8.24 -0.70 -2.77 3.58 4.64 -1.06 0.42 113.55 125.91 1u6a h SER 76 Ca -0.19 0.17 -0.51 0.00 -0.47 0.00 0.00 61.79 60.79 1u6a h SER 76 Cb 1.07 0.40 -0.40 0.00 -0.31 0.00 0.00 62.40 63.16 1u6a h SER 76 CO 0.72 -0.23 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.55 1u6a s ARG 77 N -6.16 0.19 0.43 4.77 0.52 -1.26 -3.77 118.95 113.67 1u6a s ARG 77 Ca -0.14 -0.48 -0.24 0.00 -0.52 0.00 0.00 55.73 54.34 1u6a s ARG 77 Cb 0.16 -1.17 -0.10 0.00 0.52 0.00 0.00 34.95 34.37 1u6a s ARG 77 CO 0.71 -1.00 1.09 0.28 0.02 0.00 0.00 175.30 176.40 1u6a n VAL 78 N 5.26 2.54 -4.31 3.52 0.31 0.11 -4.60 118.33 121.16 1u6a n VAL 78 Ca -0.06 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.58 1u6a n VAL 78 Cb 0.43 -1.28 -0.13 0.00 -0.91 0.00 0.00 33.84 31.95 1u6a n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1u6a s GLU 79 N -2.11 0.90 0.31 5.55 2.02 -1.26 -0.38 118.70 123.74 1u6a s GLU 79 Ca 0.63 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.87 1u6a s GLU 79 Cb -0.54 -0.91 0.82 0.00 0.10 0.00 0.00 34.13 33.60 1u6a s GLU 79 CO 0.57 0.22 1.49 -2.30 0.02 0.00 0.00 175.26 175.26 1u6a n PRO 80 N 1.75 -0.07 0.15 0.39 -0.02 -1.26 0.94 135.00 136.87 1u6a n PRO 80 Ca -0.19 1.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.81 1u6a n PRO 80 Cb 0.55 -2.28 0.53 0.00 -0.02 0.00 0.00 33.50 32.28 1u6a n PRO 80 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1u6a n GLU 81 N -5.37 0.17 0.00 -0.52 0.28 -0.94 -2.25 120.64 112.02 1u6a n GLU 81 Ca 0.25 0.53 0.09 0.00 -0.16 0.00 0.00 57.16 57.86 1u6a n GLU 81 Cb 0.82 -1.91 0.54 0.00 1.43 0.00 0.00 31.44 32.32 1u6a n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1u6a n ASP 82 N -2.25 0.00 -4.61 -1.84 8.00 0.27 -4.79 116.55 111.33 1u6a n ASP 82 Ca 0.00 -1.18 -0.43 0.00 0.71 0.00 0.00 54.79 53.89 1u6a n ASP 82 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1u6a n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1u6a s PHE 83 N -2.00 1.36 -0.01 1.24 5.36 -0.95 -4.85 117.98 118.13 1u6a s PHE 83 Ca 0.28 0.42 -0.27 0.00 -0.96 0.00 0.00 56.93 56.39 1u6a s PHE 83 Cb 0.13 -4.01 0.09 0.00 -0.34 0.00 0.00 43.02 38.89 1u6a s PHE 83 CO 0.21 -4.00 1.24 0.00 -1.46 0.00 0.00 175.22 171.21 1u6a n ALA 84 N 10.64 -3.49 -2.75 11.12 0.00 -1.22 -4.69 120.51 130.12 1u6a n ALA 84 Ca 0.26 -0.81 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 1u6a n ALA 84 Cb 0.45 0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 1u6a n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u6a s VAL 85 N -2.02 4.60 -0.12 0.00 1.01 -0.43 -0.72 120.40 122.71 1u6a s VAL 85 Ca 0.29 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1u6a s VAL 85 Cb -0.01 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1u6a s VAL 85 CO -0.00 0.59 -0.20 -0.31 0.00 0.00 0.00 175.10 175.18 1u6a s TYR 86 N -0.72 2.67 0.07 5.22 1.51 -0.15 -0.66 117.35 125.29 1u6a s TYR 86 Ca 0.12 -1.00 0.08 0.00 -1.01 0.00 0.00 57.07 55.25 1u6a s TYR 86 Cb -0.12 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1u6a s TYR 86 CO 0.02 -0.41 -0.19 0.71 -1.11 0.00 0.00 175.55 174.57 1u6a s TYR 87 N 0.50 2.52 -0.06 2.71 1.51 -0.09 -0.74 117.35 123.70 1u6a s TYR 87 Ca -0.13 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1u6a s TYR 87 Cb -0.17 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1u6a s TYR 87 CO 0.05 0.29 -0.12 0.00 -1.11 0.00 0.00 175.55 174.66 1u6a s GLN 89 N -0.63 0.89 0.04 0.00 -0.44 0.49 -0.83 119.66 119.19 1u6a s GLN 89 Ca 0.09 -1.03 -0.01 0.00 -2.50 0.00 0.00 55.36 51.92 1u6a s GLN 89 Cb -0.11 -0.91 -0.03 0.00 -1.64 0.00 0.00 33.01 30.31 1u6a s GLN 89 CO 0.01 0.20 -0.02 1.14 0.50 0.00 0.00 175.29 177.12 1u6a s GLN 90 N -1.91 0.52 -0.03 1.67 1.03 -0.17 -0.99 119.66 119.79 1u6a s GLN 90 Ca 0.01 -1.00 0.06 0.00 0.04 0.00 0.00 55.36 54.47 1u6a s GLN 90 Cb -0.09 0.18 -0.01 0.00 0.03 0.00 0.00 33.01 33.12 1u6a s GLN 90 CO 0.03 -0.10 -0.22 -0.47 -2.54 0.00 0.00 175.29 171.99 1u6a s TYR 91 N -3.08 2.04 -0.26 9.60 5.04 -1.16 -0.90 117.35 128.64 1u6a s TYR 91 Ca -0.01 -0.50 -0.28 0.00 -2.44 0.00 0.00 57.07 53.85 1u6a s TYR 91 Cb 0.02 -1.33 0.16 0.00 0.35 0.00 0.00 41.96 41.16 1u6a s TYR 91 CO -0.07 -0.12 1.23 0.34 -1.34 0.00 0.00 175.55 175.60 1u6a s ASP 92 N -0.29 -0.20 -1.46 4.32 2.15 -0.16 -4.87 116.67 116.17 1u6a s ASP 92 Ca 0.02 0.30 -0.08 0.00 0.43 0.00 0.00 52.55 53.22 1u6a s ASP 92 Cb -0.11 0.27 0.04 0.00 -0.30 0.00 0.00 42.92 42.82 1u6a s ASP 92 CO 0.01 -0.13 0.72 -3.20 -0.17 0.00 0.00 175.17 172.40 1u6a n ASN 93 N 1.16 -5.30 -2.92 -0.34 5.15 -1.26 -0.92 115.26 110.83 1u6a n ASN 93 Ca -0.08 -0.43 -0.22 0.00 -0.60 0.00 0.00 54.58 53.25 1u6a n ASN 93 Cb 0.58 -4.27 0.03 0.00 -0.53 0.00 0.00 39.78 35.58 1u6a n ASN 93 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1u6a n SER 94 N -2.58 -6.09 -3.74 1.20 7.64 -1.26 -4.98 113.62 103.80 1u6a n SER 94 Ca -0.04 -0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.46 1u6a n SER 94 Cb 0.57 -4.92 -0.12 0.00 -1.01 0.00 0.00 64.21 58.73 1u6a n SER 94 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1u6a s VAL 95 N -3.17 -0.02 -0.11 0.44 1.01 -0.09 -5.15 120.40 113.31 1u6a s VAL 95 Ca 0.27 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 1u6a s VAL 95 Cb -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1u6a s VAL 95 CO 0.34 0.03 0.15 0.00 0.00 0.00 0.00 175.10 175.62 1u6a s THR 97 N -1.05 0.10 0.24 0.00 -4.23 -0.08 -4.99 115.64 105.64 1u6a s THR 97 Ca 0.16 -0.85 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1u6a s THR 97 Cb -0.12 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 1u6a s THR 97 CO 0.05 -0.47 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.14 1u6a s PHE 98 N -2.20 2.40 0.91 3.99 0.40 -1.26 -1.00 117.98 121.22 1u6a s PHE 98 Ca -0.08 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.81 1u6a s PHE 98 Cb -0.03 -1.10 0.19 0.00 0.51 0.00 0.00 43.02 42.59 1u6a s PHE 98 CO -0.02 0.62 1.26 0.20 0.70 0.00 0.00 175.22 177.98 1u6a s GLY 99 N -3.23 1.78 0.36 4.36 0.00 -0.01 -4.69 107.32 105.89 1u6a s GLY 99 Ca 0.27 -1.33 0.18 0.00 0.00 0.00 0.00 44.72 43.84 1u6a s GLY 99 CO 0.14 -0.60 1.70 1.46 0.00 0.00 0.00 173.10 175.80 1u6a h GLN 100 N -1.41 0.00 0.00 2.90 7.50 -1.91 -3.44 115.11 118.75 1u6a h GLN 100 Ca -0.43 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.72 1u6a h GLN 100 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1u6a h GLN 100 CO 0.38 0.39 0.00 0.41 -1.50 0.00 0.00 178.83 178.51 1u6a n GLY 101 N 0.36 1.93 3.16 3.46 0.00 -1.26 -5.00 105.19 107.84 1u6a n GLY 101 Ca 0.00 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1u6a n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u6a s THR 102 N -2.52 2.05 -0.09 2.61 2.01 0.08 -4.78 115.64 115.00 1u6a s THR 102 Ca 0.00 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 60.79 1u6a s THR 102 Cb 0.00 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1u6a s THR 102 CO 0.00 0.55 0.77 -0.54 -0.69 0.00 0.00 174.62 174.71 1u6a s LYS 103 N 0.94 4.40 -0.36 4.92 1.02 -0.54 -0.98 119.74 129.14 1u6a s LYS 103 Ca -0.04 0.98 -0.11 0.00 0.02 0.00 0.00 55.97 56.82 1u6a s LYS 103 Cb -0.15 -3.49 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 1u6a s LYS 103 CO -0.05 -0.08 0.20 -1.17 -0.92 0.00 0.00 175.35 173.33 1u6a s LEU 104 N 1.26 4.59 -0.12 3.17 2.96 0.10 -0.54 118.68 130.10 1u6a s LEU 104 Ca 0.39 -0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1u6a s LEU 104 Cb -0.18 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1u6a s LEU 104 CO 0.17 -0.34 0.01 -1.61 -1.32 0.00 0.00 176.35 173.26 1u6a s GLU 105 N 1.57 3.32 -0.24 1.98 2.02 0.99 -3.45 118.70 124.90 1u6a s GLU 105 Ca 0.03 -0.41 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 1u6a s GLU 105 Cb -0.19 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1u6a s GLU 105 CO 0.07 0.53 0.44 0.42 0.02 0.00 0.00 175.26 176.74 1u6a s ILE 106 N -0.40 5.14 0.39 -1.63 -1.09 -1.26 -1.14 121.20 121.21 1u6a s ILE 106 Ca 0.08 0.76 -0.20 0.00 -2.23 0.00 0.00 60.65 59.06 1u6a s ILE 106 Cb -0.12 -3.76 -0.10 0.00 -1.58 0.00 0.00 42.46 36.89 1u6a s ILE 106 CO 0.02 0.17 0.89 -0.54 -1.23 0.00 0.00 174.94 174.25 1u6a s LYS 107 N 1.83 4.20 0.22 2.79 1.02 0.27 -4.90 119.74 125.16 1u6a s LYS 107 Ca 0.19 1.02 -0.22 0.00 0.02 0.00 0.00 55.97 56.98 1u6a s LYS 107 Cb -0.15 -2.29 0.06 0.00 -0.52 0.00 0.00 37.83 34.92 1u6a s LYS 107 CO 0.09 0.04 0.92 -0.98 -0.92 0.00 0.00 175.35 174.50 1u6a s ARG 108 N -3.04 1.47 0.59 1.68 1.70 -1.26 -4.36 118.95 115.74 1u6a s ARG 108 Ca 0.59 -0.87 -0.18 0.00 -0.47 0.00 0.00 55.73 54.80 1u6a s ARG 108 Cb -0.10 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1u6a s ARG 108 CO 0.15 -0.68 1.14 0.95 -1.08 0.00 0.00 175.30 175.78 1u6a s THR 109 N -2.96 3.03 0.23 4.99 -4.23 -1.26 -4.94 115.64 110.50 1u6a s THR 109 Ca 0.15 0.59 -0.31 0.00 -1.18 0.00 0.00 61.69 60.94 1u6a s THR 109 Cb -0.03 -3.18 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 1u6a s THR 109 CO 0.05 -0.19 1.68 -0.69 -0.54 0.00 0.00 174.62 174.93 1u6a s VAL 110 N -1.90 2.06 -0.07 2.29 1.01 -1.26 -4.79 120.40 117.74 1u6a s VAL 110 Ca 0.72 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1u6a s VAL 110 Cb -0.25 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1u6a s VAL 110 CO 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 175.10 175.30 1u6a s ALA 111 N 0.84 1.38 0.30 5.51 0.00 -0.30 -4.91 121.76 124.59 1u6a s ALA 111 Ca 0.71 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 1u6a s ALA 111 Cb -0.49 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.92 1u6a s ALA 111 CO 0.36 0.10 0.97 0.00 0.00 0.00 0.00 175.76 177.20 1u6a s ALA 112 N 0.69 3.25 0.33 0.00 0.00 -1.26 -0.80 121.76 123.97 1u6a s ALA 112 Ca -0.14 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 1u6a s ALA 112 Cb -0.16 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1u6a s ALA 112 CO 0.04 0.11 0.91 -1.25 0.00 0.00 0.00 175.76 175.56 1u6a s PRO 113 N -1.80 4.45 -0.15 0.00 0.04 -1.26 -4.55 135.00 131.73 1u6a s PRO 113 Ca 0.48 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1u6a s PRO 113 Cb -0.22 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1u6a s PRO 113 CO 0.28 0.23 0.36 -1.12 0.04 0.00 0.00 177.00 176.79 1u6a s SER 114 N -1.76 6.51 -0.16 6.66 0.01 -0.80 -4.83 113.70 119.33 1u6a s SER 114 Ca 0.52 0.60 -0.05 0.00 1.31 0.00 0.00 55.95 58.32 1u6a s SER 114 Cb -0.16 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1u6a s SER 114 CO 0.21 0.05 0.01 -0.69 0.41 0.00 0.00 173.24 173.23 1u6a s VAL 115 N 0.63 4.34 0.18 3.43 1.01 -1.26 -0.56 120.40 128.18 1u6a s VAL 115 Ca 0.20 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1u6a s VAL 115 Cb -0.14 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1u6a s VAL 115 CO 0.06 0.49 -0.09 -0.36 0.00 0.00 0.00 175.10 175.21 1u6a s PHE 116 N 0.22 1.44 0.01 5.22 0.40 -0.48 -4.99 117.98 119.80 1u6a s PHE 116 Ca 0.01 -0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 55.58 1u6a s PHE 116 Cb -0.13 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 1u6a s PHE 116 CO 0.02 0.12 -0.01 -1.50 0.70 0.00 0.00 175.22 174.55 1u6a s ILE 117 N -3.26 0.06 -0.19 0.64 2.07 -1.26 -1.07 121.20 118.19 1u6a s ILE 117 Ca 0.21 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 1u6a s ILE 117 Cb 0.03 -0.16 0.04 0.00 0.13 0.00 0.00 42.46 42.50 1u6a s ILE 117 CO 0.04 -0.27 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.35 1u6a s PHE 118 N -0.81 2.15 0.77 3.50 0.40 0.16 -5.00 117.98 119.15 1u6a s PHE 118 Ca -0.09 -1.41 -0.13 0.00 -0.60 0.00 0.00 56.93 54.70 1u6a s PHE 118 Cb -0.06 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1u6a s PHE 118 CO -0.00 -0.70 1.16 -2.14 0.70 0.00 0.00 175.22 174.24 1u6a s PRO 119 N 1.49 1.99 0.71 0.24 0.02 -1.26 -2.21 135.00 135.98 1u6a s PRO 119 Ca -0.01 1.57 -0.13 0.00 0.02 0.00 0.00 61.00 62.46 1u6a s PRO 119 Cb -0.16 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.55 1u6a s PRO 119 CO -0.08 -1.91 1.10 -1.25 -0.33 0.00 0.00 177.00 174.53 1u6a s PRO 120 N -4.25 2.54 0.68 5.54 0.04 -1.23 -4.84 135.00 133.47 1u6a s PRO 120 Ca 0.70 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1u6a s PRO 120 Cb -0.25 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 1u6a s PRO 120 CO 0.49 -1.44 1.05 -1.54 0.04 0.00 0.00 177.00 175.60 1u6a s SER 121 N -2.96 5.56 0.26 6.66 1.04 -1.26 -4.97 113.70 118.04 1u6a s SER 121 Ca 0.64 1.58 0.11 0.00 0.48 0.00 0.00 55.95 58.77 1u6a s SER 121 Cb -0.19 -2.49 0.30 0.00 0.10 0.00 0.00 66.02 63.74 1u6a s SER 121 CO 0.48 -1.32 1.57 0.44 0.98 0.00 0.00 173.24 175.39 1u6a h ASP 122 N -0.61 0.00 -0.40 7.02 3.32 -1.99 -2.53 116.42 121.22 1u6a h ASP 122 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 1u6a h ASP 122 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1u6a h ASP 122 CO 0.58 0.64 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.31 1u6a h GLU 123 N 0.00 0.85 -0.20 3.56 3.07 -1.98 -1.24 114.58 118.64 1u6a h GLU 123 Ca -0.01 -0.28 -0.17 0.00 -0.50 0.00 0.00 59.36 58.40 1u6a h GLU 123 Cb 1.19 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1u6a h GLU 123 CO 0.08 0.91 -0.58 0.37 -1.40 0.00 0.00 179.01 178.39 1u6a h GLN 124 N 0.77 0.63 -0.34 2.33 4.15 -1.82 -2.98 115.11 117.85 1u6a h GLN 124 Ca 0.13 -0.42 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 1u6a h GLN 124 Cb 0.60 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1u6a h GLN 124 CO 0.04 1.03 0.01 -0.07 -1.93 0.00 0.00 178.83 177.91 1u6a h LEU 125 N 0.48 0.48 -1.47 -2.39 3.38 -1.05 0.05 115.31 114.80 1u6a h LEU 125 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1u6a h LEU 125 Cb 1.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1u6a h LEU 125 CO 0.11 0.55 0.00 0.11 0.09 0.00 0.00 178.44 179.30 1u6a h LYS 126 N 0.50 0.00 -0.00 1.13 1.57 -1.09 -0.89 116.57 117.78 1u6a h LYS 126 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1u6a h LYS 126 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1u6a h LYS 126 CO 0.01 0.00 -0.37 -1.13 -0.57 0.00 0.00 179.45 177.39 1u6a n SER 127 N -2.77 0.46 0.00 0.86 3.41 -0.01 -4.94 113.62 110.62 1u6a n SER 127 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1u6a n SER 127 Cb 0.23 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1u6a n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6a n GLY 128 N 1.47 0.77 3.04 5.00 0.00 -0.34 -5.06 105.19 110.07 1u6a n GLY 128 Ca 0.07 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1u6a n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u6a s THR 129 N -2.00 0.11 -0.06 2.61 2.01 -1.17 -2.36 115.64 114.78 1u6a s THR 129 Ca 0.00 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1u6a s THR 129 Cb 0.00 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1u6a s THR 129 CO 0.00 -0.49 -0.17 0.00 -0.69 0.00 0.00 174.62 173.28 1u6a s ALA 130 N -1.64 1.56 -0.20 7.40 0.00 0.20 -3.44 121.76 125.65 1u6a s ALA 130 Ca -0.14 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1u6a s ALA 130 Cb -0.08 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1u6a s ALA 130 CO -0.01 0.22 -0.12 -1.12 0.00 0.00 0.00 175.76 174.73 1u6a s SER 131 N 0.36 3.39 -0.25 0.00 0.01 -1.26 -0.68 113.70 115.27 1u6a s SER 131 Ca -0.12 -0.87 -0.10 0.00 1.31 0.00 0.00 55.95 56.17 1u6a s SER 131 Cb -0.15 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.75 1u6a s SER 131 CO 0.04 -0.13 0.16 -0.69 0.41 0.00 0.00 173.24 173.03 1u6a s VAL 132 N 1.37 5.19 -0.19 3.43 1.01 0.42 -3.54 120.40 128.09 1u6a s VAL 132 Ca -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1u6a s VAL 132 Cb -0.16 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1u6a s VAL 132 CO -0.09 0.32 -0.00 -0.69 0.00 0.00 0.00 175.10 174.64 1u6a s VAL 133 N 1.34 4.06 -0.14 2.92 1.01 -0.94 -0.59 120.40 128.06 1u6a s VAL 133 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1u6a s VAL 133 Cb -0.15 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1u6a s VAL 133 CO 0.07 0.45 -0.15 0.00 0.00 0.00 0.00 175.10 175.47 1u6a s LEU 135 N 0.59 2.70 -0.39 0.00 2.96 -0.23 -1.47 118.68 122.84 1u6a s LEU 135 Ca -0.09 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1u6a s LEU 135 Cb -0.16 -1.60 0.10 0.00 0.50 0.00 0.00 46.19 45.03 1u6a s LEU 135 CO 0.03 0.17 0.17 -0.76 -1.32 0.00 0.00 176.35 174.65 1u6a s LEU 136 N 0.30 5.03 -0.06 -0.68 1.43 -0.15 -1.38 118.68 123.16 1u6a s LEU 136 Ca -0.10 -1.87 -0.13 0.00 -1.03 0.00 0.00 54.13 50.99 1u6a s LEU 136 Cb -0.16 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1u6a s LEU 136 CO 0.06 -0.50 0.33 0.21 0.23 0.00 0.00 176.35 176.68 1u6a s ASN 137 N 1.74 6.65 -0.27 2.29 3.04 0.28 -0.22 114.94 128.45 1u6a s ASN 137 Ca 0.06 0.77 -0.24 0.00 0.04 0.00 0.00 52.86 53.48 1u6a s ASN 137 Cb -0.22 -2.20 0.04 0.00 -1.54 0.00 0.00 41.25 37.32 1u6a s ASN 137 CO -0.03 0.29 0.41 0.59 -3.04 0.00 0.00 177.10 175.31 1u6a n ASN 138 N 2.25 -5.47 -4.01 -4.21 5.03 -0.90 -1.90 115.26 106.05 1u6a n ASN 138 Ca -0.15 0.03 -0.16 0.00 0.87 0.00 0.00 54.58 55.17 1u6a n ASN 138 Cb 0.53 -1.48 -0.09 0.00 -1.02 0.00 0.00 39.78 37.71 1u6a n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1u6a s PHE 139 N -1.21 1.47 -0.28 3.10 -0.12 -0.12 -4.44 117.98 116.38 1u6a s PHE 139 Ca 0.24 -1.39 -0.22 0.00 -0.05 0.00 0.00 56.93 55.50 1u6a s PHE 139 Cb -0.02 -0.74 0.09 0.00 -0.63 0.00 0.00 43.02 41.72 1u6a s PHE 139 CO 0.54 -0.59 0.83 -0.47 -0.05 0.00 0.00 175.22 175.48 1u6a s TYR 140 N -3.79 -0.73 1.05 3.49 5.04 0.01 -0.61 117.35 121.82 1u6a s TYR 140 Ca 0.38 1.66 -0.18 0.00 -2.44 0.00 0.00 57.07 56.49 1u6a s TYR 140 Cb 0.06 0.37 0.24 0.00 0.35 0.00 0.00 41.96 42.98 1u6a s TYR 140 CO 0.17 -0.35 1.28 -1.25 -1.34 0.00 0.00 175.55 174.05 1u6a s PRO 141 N 0.67 -0.07 0.58 4.97 0.04 -1.26 -1.15 135.00 138.78 1u6a s PRO 141 Ca -0.02 -0.39 0.38 0.00 0.04 0.00 0.00 61.00 61.02 1u6a s PRO 141 Cb -0.05 -1.76 1.99 0.00 0.04 0.00 0.00 34.50 34.72 1u6a s PRO 141 CO -0.07 -2.90 2.17 -0.09 0.04 0.00 0.00 177.00 176.16 1u6a h ARG 142 N -1.99 0.00 -6.26 4.56 2.43 -1.99 -3.43 114.38 107.69 1u6a h ARG 142 Ca -0.44 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.17 1u6a h ARG 142 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1u6a h ARG 142 CO 0.33 0.00 0.77 -1.21 -1.51 0.00 0.00 179.97 178.35 1u6a s GLU 143 N -3.93 4.31 0.10 0.20 8.01 -1.26 -4.99 118.70 121.14 1u6a s GLU 143 Ca -0.03 1.68 -0.18 0.00 0.01 0.00 0.00 54.97 56.44 1u6a s GLU 143 Cb 0.11 -3.62 0.04 0.00 -4.31 0.00 0.00 34.13 26.35 1u6a s GLU 143 CO 0.40 -0.53 0.45 0.00 0.01 0.00 0.00 175.26 175.59 1u6a s ALA 144 N 2.62 -1.11 -0.05 5.21 0.00 -1.26 -4.39 121.76 122.77 1u6a s ALA 144 Ca 0.56 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1u6a s ALA 144 Cb -0.24 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1u6a s ALA 144 CO 0.20 -0.61 -0.11 0.21 0.00 0.00 0.00 175.76 175.45 1u6a s LYS 145 N -3.36 1.41 -0.08 0.00 2.20 -0.43 -4.98 119.74 114.50 1u6a s LYS 145 Ca -0.00 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1u6a s LYS 145 Cb 0.01 -1.22 0.02 0.00 -1.51 0.00 0.00 37.83 35.13 1u6a s LYS 145 CO -0.09 0.04 -0.09 0.14 -0.36 0.00 0.00 175.35 175.00 1u6a s VAL 146 N 0.56 0.98 0.02 4.02 -7.23 -1.26 0.15 120.40 117.64 1u6a s VAL 146 Ca -0.11 -0.34 0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1u6a s VAL 146 Cb -0.14 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1u6a s VAL 146 CO 0.02 0.33 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.85 1u6a s GLN 147 N 1.08 2.09 -0.18 4.82 -0.21 -0.47 -4.96 119.66 121.84 1u6a s GLN 147 Ca -0.07 -0.96 -0.07 0.00 0.02 0.00 0.00 55.36 54.28 1u6a s GLN 147 Cb -0.14 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1u6a s GLN 147 CO -0.01 0.55 0.05 -1.58 -2.12 0.00 0.00 175.29 172.18 1u6a s TRP 148 N -0.85 3.21 -0.20 0.91 0.52 -1.26 -1.48 118.94 119.80 1u6a s TRP 148 Ca 0.13 0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1u6a s TRP 148 Cb -0.10 -2.07 0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1u6a s TRP 148 CO 0.03 0.11 -0.09 0.15 0.02 0.00 0.00 176.95 177.17 1u6a s LYS 149 N 0.40 1.94 -0.21 4.98 1.02 -0.66 -0.82 119.74 126.39 1u6a s LYS 149 Ca 0.02 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 1u6a s LYS 149 Cb -0.13 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1u6a s LYS 149 CO 0.01 -0.44 0.24 0.08 -0.92 0.00 0.00 175.35 174.32 1u6a s VAL 150 N 1.42 5.32 -1.46 3.17 1.01 -0.51 -1.20 120.40 128.15 1u6a s VAL 150 Ca -0.01 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1u6a s VAL 150 Cb -0.16 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.78 1u6a s VAL 150 CO -0.08 0.34 0.58 0.47 0.00 0.00 0.00 175.10 176.41 1u6a n ASP 151 N 4.11 -2.83 -2.13 3.32 8.00 0.26 0.34 116.55 127.61 1u6a n ASP 151 Ca -0.13 -0.74 -0.15 0.00 0.71 0.00 0.00 54.79 54.48 1u6a n ASP 151 Cb 0.52 -2.37 0.02 0.00 -0.02 0.00 0.00 41.12 39.27 1u6a n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1u6a n ASN 152 N -2.38 -4.68 -4.03 -2.24 5.15 -1.26 -5.01 115.26 100.81 1u6a n ASN 152 Ca 0.06 -0.20 -0.29 0.00 -0.60 0.00 0.00 54.58 53.55 1u6a n ASN 152 Cb 0.49 -3.54 -0.17 0.00 -0.53 0.00 0.00 39.78 36.03 1u6a n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u6a s ALA 153 N -2.97 1.75 0.29 5.20 0.00 0.15 -5.06 121.76 121.13 1u6a s ALA 153 Ca 0.21 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1u6a s ALA 153 Cb -0.09 -0.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.96 1u6a s ALA 153 CO 0.26 -0.26 1.61 -1.17 0.00 0.00 0.00 175.76 176.20 1u6a s LEU 154 N 1.30 4.34 0.21 0.00 2.96 -1.26 -1.42 118.68 124.81 1u6a s LEU 154 Ca 0.00 2.97 0.04 0.00 -0.22 0.00 0.00 54.13 56.92 1u6a s LEU 154 Cb -0.14 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1u6a s LEU 154 CO -0.07 -0.93 0.34 -1.10 -1.32 0.00 0.00 176.35 173.27 1u6a s GLN 155 N -0.43 3.44 -0.08 1.98 -1.52 0.00 -4.94 119.66 118.12 1u6a s GLN 155 Ca 0.64 -0.71 -0.08 0.00 -1.95 0.00 0.00 55.36 53.27 1u6a s GLN 155 Cb -0.48 -2.91 0.02 0.00 -0.22 0.00 0.00 33.01 29.41 1u6a s GLN 155 CO 0.47 0.46 0.21 -1.12 -0.25 0.00 0.00 175.29 175.07 1u6a s SER 156 N -3.75 -0.21 -1.52 5.90 0.01 -1.26 -4.76 113.70 108.11 1u6a s SER 156 Ca 0.34 0.40 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1u6a s SER 156 Cb -0.10 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1u6a s SER 156 CO 0.29 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1u6a n GLY 157 N 2.88 0.63 0.44 3.44 0.00 -1.26 -4.81 105.19 106.51 1u6a n GLY 157 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1u6a n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u6a n ASN 158 N -1.25 1.23 -3.97 1.61 6.94 -1.26 -5.05 115.26 113.51 1u6a n ASN 158 Ca -0.17 -2.64 -0.09 0.00 -0.02 0.00 0.00 54.58 51.67 1u6a n ASN 158 Cb 0.57 -0.34 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 1u6a n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1u6a s SER 159 N -2.09 0.27 0.01 0.53 1.04 -1.25 -0.83 113.70 111.38 1u6a s SER 159 Ca 0.20 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1u6a s SER 159 Cb 0.19 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1u6a s SER 159 CO -0.01 -0.53 -0.03 -1.10 0.98 0.00 0.00 173.24 172.55 1u6a s GLN 160 N -2.96 0.25 0.16 4.02 -0.21 -0.34 -4.91 119.66 115.66 1u6a s GLN 160 Ca -0.02 -0.32 0.07 0.00 0.02 0.00 0.00 55.36 55.11 1u6a s GLN 160 Cb 0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 1u6a s GLN 160 CO -0.06 0.01 -0.04 -1.21 -2.12 0.00 0.00 175.29 171.87 1u6a s GLU 161 N -0.67 2.30 -0.02 2.91 2.02 -1.26 -0.18 118.70 123.79 1u6a s GLU 161 Ca -0.06 -1.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.82 1u6a s GLU 161 Cb -0.05 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.87 1u6a s GLU 161 CO -0.00 0.47 0.04 0.45 0.02 0.00 0.00 175.26 176.24 1u6a s SER 162 N -2.74 -0.03 -0.02 -0.19 0.15 -0.16 -4.97 113.70 105.75 1u6a s SER 162 Ca 0.26 0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.02 1u6a s SER 162 Cb -0.10 0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1u6a s SER 162 CO 0.17 -0.04 -0.11 0.54 1.20 0.00 0.00 173.24 175.01 1u6a s VAL 163 N 0.24 0.87 0.76 4.45 0.11 -1.26 -0.87 120.40 124.70 1u6a s VAL 163 Ca -0.02 -0.45 -0.12 0.00 -2.93 0.00 0.00 61.98 58.47 1u6a s VAL 163 Cb -0.03 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1u6a s VAL 163 CO -0.01 0.26 1.11 0.42 -3.33 0.00 0.00 175.10 173.55 1u6a s THR 164 N -0.09 3.08 0.57 5.04 -4.23 -0.86 -5.01 115.64 114.13 1u6a s THR 164 Ca 0.01 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 1u6a s THR 164 Cb -0.06 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1u6a s THR 164 CO -0.00 -0.46 0.83 -1.61 -0.54 0.00 0.00 174.62 172.84 1u6a s GLU 165 N -5.32 2.72 0.10 3.99 2.02 -1.26 -4.59 118.70 116.35 1u6a s GLU 165 Ca 0.60 -0.38 -0.36 0.00 0.02 0.00 0.00 54.97 54.84 1u6a s GLU 165 Cb -0.12 -2.38 -0.16 0.00 0.10 0.00 0.00 34.13 31.57 1u6a s GLU 165 CO 0.52 -0.70 1.42 1.04 0.02 0.00 0.00 175.26 177.57 1u6a n GLN 166 N -2.45 1.44 -1.86 1.61 6.02 -1.26 -4.81 117.38 116.07 1u6a n GLN 166 Ca 0.05 0.52 -0.41 0.00 -0.01 0.00 0.00 57.00 57.16 1u6a n GLN 166 Cb 0.59 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1u6a n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1u6a s ASP 167 N 0.72 6.27 0.40 1.08 2.15 -0.63 -4.88 116.67 121.77 1u6a s ASP 167 Ca 0.83 2.95 0.07 0.00 0.43 0.00 0.00 52.55 56.82 1u6a s ASP 167 Cb -0.88 -2.66 0.82 0.00 -0.30 0.00 0.00 42.92 39.91 1u6a s ASP 167 CO 0.45 -0.91 2.04 0.28 -0.17 0.00 0.00 175.17 176.85 1u6a h SER 168 N 2.84 0.52 0.00 -0.34 0.02 -1.90 -2.12 113.55 112.57 1u6a h SER 168 Ca -0.51 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.27 1u6a h SER 168 Cb 1.25 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1u6a h SER 168 CO 0.63 0.37 -1.33 0.29 -1.14 0.00 0.00 176.83 175.65 1u6a n LYS 169 N -4.47 0.53 -0.03 3.45 5.02 -1.26 -2.20 118.16 119.20 1u6a n LYS 169 Ca 0.05 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1u6a n LYS 169 Cb 0.08 -1.57 0.22 0.00 -0.02 0.00 0.00 35.03 33.74 1u6a n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1u6a n ASP 170 N -4.44 2.70 -1.83 4.39 5.68 -1.26 -4.85 116.55 116.94 1u6a n ASP 170 Ca -0.26 -1.89 -0.18 0.00 -0.50 0.00 0.00 54.79 51.97 1u6a n ASP 170 Cb 0.58 -0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.47 1u6a n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1u6a n SER 171 N 1.09 -4.83 -5.01 -1.12 7.64 -0.80 -4.93 113.62 105.67 1u6a n SER 171 Ca 0.16 0.30 -0.18 0.00 1.01 0.00 0.00 58.87 60.16 1u6a n SER 171 Cb 0.54 -4.23 0.04 0.00 -1.01 0.00 0.00 64.21 59.55 1u6a n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1u6a s THR 172 N -2.63 2.61 0.32 0.44 -4.23 -1.26 -4.54 115.64 106.34 1u6a s THR 172 Ca 0.00 -0.97 0.09 0.00 -1.18 0.00 0.00 61.69 59.63 1u6a s THR 172 Cb 0.00 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1u6a s THR 172 CO 0.00 0.00 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.76 1u6a s TYR 173 N -2.52 2.56 0.04 3.99 1.51 0.22 -1.61 117.35 121.54 1u6a s TYR 173 Ca 0.58 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1u6a s TYR 173 Cb -0.08 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1u6a s TYR 173 CO 0.36 0.53 -0.08 -1.12 -1.11 0.00 0.00 175.55 174.13 1u6a s SER 174 N -3.69 0.93 0.03 2.29 0.01 -1.26 -0.94 113.70 111.07 1u6a s SER 174 Ca 0.34 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1u6a s SER 174 Cb -0.02 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1u6a s SER 174 CO 0.19 -0.13 -0.08 -0.22 0.41 0.00 0.00 173.24 173.42 1u6a s LEU 175 N -1.29 2.17 -0.02 2.44 2.96 0.70 -2.04 118.68 123.61 1u6a s LEU 175 Ca -0.06 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1u6a s LEU 175 Cb -0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.34 1u6a s LEU 175 CO 0.00 -0.10 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.83 1u6a s SER 176 N -1.10 2.05 -0.12 3.68 1.04 -0.05 -0.98 113.70 118.22 1u6a s SER 176 Ca -0.05 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 1u6a s SER 176 Cb -0.07 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.81 1u6a s SER 176 CO 0.00 0.21 -0.10 -0.55 0.98 0.00 0.00 173.24 173.78 1u6a s SER 177 N -0.37 2.30 -0.19 7.02 0.15 -0.54 -0.99 113.70 121.07 1u6a s SER 177 Ca 0.06 -0.36 -0.03 0.00 0.70 0.00 0.00 55.95 56.32 1u6a s SER 177 Cb -0.07 -0.94 -0.01 0.00 -1.71 0.00 0.00 66.02 63.29 1u6a s SER 177 CO -0.00 -0.09 -0.06 -0.89 1.20 0.00 0.00 173.24 173.40 1u6a s THR 178 N 1.57 3.36 -0.21 6.45 2.01 0.74 -1.45 115.64 128.11 1u6a s THR 178 Ca 0.04 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 1u6a s THR 178 Cb -0.13 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1u6a s THR 178 CO -0.08 0.45 0.37 -0.22 -0.69 0.00 0.00 174.62 174.46 1u6a s LEU 179 N 1.12 4.15 -0.19 4.42 2.96 0.24 -1.20 118.68 130.18 1u6a s LEU 179 Ca 0.01 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.39 1u6a s LEU 179 Cb -0.15 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1u6a s LEU 179 CO -0.01 -0.06 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.91 1u6a s THR 180 N 1.30 2.46 0.13 3.68 2.01 -0.01 -0.44 115.64 124.78 1u6a s THR 180 Ca 0.18 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.42 1u6a s THR 180 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1u6a s THR 180 CO 0.08 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 1u6a s LEU 181 N 1.34 2.49 0.55 4.42 1.43 0.15 -4.88 118.68 124.18 1u6a s LEU 181 Ca 0.05 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 52.02 1u6a s LEU 181 Cb -0.13 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 1u6a s LEU 181 CO -0.10 -0.32 1.05 -0.94 0.23 0.00 0.00 176.35 176.27 1u6a s SER 182 N -2.94 6.00 0.19 2.29 1.04 -1.26 0.60 113.70 119.62 1u6a s SER 182 Ca 0.13 1.85 -0.14 0.00 0.48 0.00 0.00 55.95 58.27 1u6a s SER 182 Cb 0.01 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.78 1u6a s SER 182 CO -0.00 -1.01 1.66 0.50 0.98 0.00 0.00 173.24 175.36 1u6a h LYS 183 N 0.84 0.04 -0.02 4.02 3.64 -1.75 -1.39 116.57 121.95 1u6a h LYS 183 Ca -0.48 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1u6a h LYS 183 Cb 1.22 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1u6a h LYS 183 CO 0.58 0.02 -0.43 0.00 -2.27 0.00 0.00 179.45 177.36 1u6a h ALA 184 N 1.51 -0.69 -0.54 5.00 0.00 -1.91 0.21 119.26 122.85 1u6a h ALA 184 Ca 0.26 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1u6a h ALA 184 Cb 0.41 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1u6a h ALA 184 CO -0.51 -0.97 0.36 -0.44 0.00 0.00 0.00 179.25 177.69 1u6a h ASP 185 N -0.57 0.49 -0.39 0.00 3.32 -1.82 0.55 116.42 117.99 1u6a h ASP 185 Ca 0.05 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1u6a h ASP 185 Cb 0.66 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1u6a h ASP 185 CO -0.33 0.33 -0.20 0.22 -1.72 0.00 0.00 179.24 177.54 1u6a h TYR 186 N 0.56 1.01 -0.92 4.55 3.20 -0.41 -3.07 116.97 121.90 1u6a h TYR 186 Ca 0.22 -0.23 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1u6a h TYR 186 Cb 0.18 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1u6a h TYR 186 CO -0.00 1.01 0.60 0.93 -1.64 0.00 0.00 178.16 179.05 1u6a h GLU 187 N 0.77 1.14 -0.45 1.82 4.39 0.16 -2.93 114.58 119.49 1u6a h GLU 187 Ca 0.11 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1u6a h GLU 187 Cb 0.75 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1u6a h GLU 187 CO 0.06 0.75 0.00 0.36 -1.16 0.00 0.00 179.01 179.02 1u6a n LYS 188 N -4.49 0.70 -3.97 2.33 2.85 -0.81 -4.82 118.16 109.95 1u6a n LYS 188 Ca 0.12 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.28 1u6a n LYS 188 Cb 0.08 -1.22 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 1u6a n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1u6a s HIS 189 N -1.37 0.38 0.00 5.58 3.76 -1.11 -5.11 115.29 117.42 1u6a s HIS 189 Ca 0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1u6a s HIS 189 Cb 0.00 0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.78 1u6a s HIS 189 CO 0.00 -0.88 0.00 1.63 -0.85 0.00 0.00 174.74 174.64 1u6a n LYS 190 N -0.32 0.00 -3.03 1.40 5.02 -1.26 -4.78 118.16 115.18 1u6a n LYS 190 Ca -0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1u6a n LYS 190 Cb 0.63 -0.33 -0.06 0.00 -0.02 0.00 0.00 35.03 35.25 1u6a n LYS 190 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1u6a s VAL 191 N -2.00 4.90 -0.22 -0.18 0.11 -1.26 -0.89 120.40 120.87 1u6a s VAL 191 Ca 0.00 1.18 -0.04 0.00 -2.93 0.00 0.00 61.98 60.19 1u6a s VAL 191 Cb 0.00 -4.03 -0.01 0.00 -1.53 0.00 0.00 36.38 30.81 1u6a s VAL 191 CO 0.00 -0.09 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.33 1u6a s TYR 192 N 2.70 2.96 0.06 1.54 1.51 -0.57 0.89 117.35 126.43 1u6a s TYR 192 Ca 0.29 -0.90 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 1u6a s TYR 192 Cb -0.15 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1u6a s TYR 192 CO 0.10 -0.52 -0.19 0.00 -1.11 0.00 0.00 175.55 173.82 1u6a s ALA 193 N 1.45 1.64 -0.26 3.71 0.00 -0.34 -1.93 121.76 126.03 1u6a s ALA 193 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1u6a s ALA 193 Cb -0.14 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1u6a s ALA 193 CO -0.03 0.35 -0.08 0.00 0.00 0.00 0.00 175.76 176.00 1u6a s GLU 195 N 1.23 3.37 -0.22 0.00 2.12 -0.55 -1.00 118.70 123.65 1u6a s GLU 195 Ca -0.04 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.52 1u6a s GLU 195 Cb -0.18 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1u6a s GLU 195 CO -0.05 -0.40 0.08 0.08 -0.54 0.00 0.00 175.26 174.43 1u6a s VAL 196 N 1.62 4.64 -0.35 3.70 1.01 0.24 -1.36 120.40 129.89 1u6a s VAL 196 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1u6a s VAL 196 Cb -0.17 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.17 1u6a s VAL 196 CO 0.06 0.38 0.09 -0.89 0.00 0.00 0.00 175.10 174.75 1u6a s THR 197 N 1.06 2.80 0.12 3.92 2.01 0.12 -1.49 115.64 124.17 1u6a s THR 197 Ca 0.05 -2.01 0.09 0.00 0.31 0.00 0.00 61.69 60.13 1u6a s THR 197 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1u6a s THR 197 CO 0.03 -0.51 -0.23 -2.28 -0.69 0.00 0.00 174.62 170.94 1u6a s HIS 198 N 1.07 2.02 0.41 4.92 2.46 -1.26 -1.31 115.29 123.60 1u6a s HIS 198 Ca 0.06 -0.40 0.19 0.00 0.47 0.00 0.00 55.06 55.37 1u6a s HIS 198 Cb -0.21 -1.10 1.11 0.00 -0.13 0.00 0.00 32.58 32.26 1u6a s HIS 198 CO -0.05 0.27 1.82 0.37 -2.47 0.00 0.00 174.74 174.68 1u6a h GLN 199 N 3.96 0.38 -0.09 2.88 4.15 -1.93 -1.32 115.11 123.13 1u6a h GLN 199 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1u6a h GLN 199 Cb 1.18 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1u6a h GLN 199 CO 0.40 0.25 0.00 0.41 -1.93 0.00 0.00 178.83 177.96 1u6a n GLY 200 N -1.51 -0.33 3.40 2.39 0.00 -1.26 -4.76 105.19 103.12 1u6a n GLY 200 Ca 0.22 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1u6a n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u6a s LEU 201 N -1.54 3.39 0.26 0.99 1.43 -0.50 -4.65 118.68 118.06 1u6a s LEU 201 Ca 0.29 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1u6a s LEU 201 Cb 0.15 -1.88 0.49 0.00 0.03 0.00 0.00 46.19 44.98 1u6a s LEU 201 CO 0.23 -0.06 1.78 0.77 0.23 0.00 0.00 176.35 179.30 1u6a h SER 202 N 8.21 0.58 -3.63 2.29 4.64 -1.86 -3.41 113.55 120.38 1u6a h SER 202 Ca -0.38 0.08 -0.39 0.00 -0.47 0.00 0.00 61.79 60.63 1u6a h SER 202 Cb 1.16 -0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 1u6a h SER 202 CO 0.59 0.28 -0.77 -0.55 -0.87 0.00 0.00 176.83 175.51 1u6a s SER 203 N -5.49 0.85 -0.44 4.97 0.15 -1.26 -5.10 113.70 107.39 1u6a s SER 203 Ca -0.12 -0.12 -0.42 0.00 0.70 0.00 0.00 55.95 55.99 1u6a s SER 203 Cb 0.21 -0.32 -0.17 0.00 -1.71 0.00 0.00 66.02 64.03 1u6a s SER 203 CO 0.78 -0.01 2.06 -2.65 1.20 0.00 0.00 173.24 174.62 1u6a n PRO 204 N 3.67 0.41 -2.74 5.44 -0.02 -1.26 -4.91 135.00 135.58 1u6a n PRO 204 Ca -0.22 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.01 1u6a n PRO 204 Cb 0.53 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1u6a n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u6a s VAL 205 N 5.79 4.11 -0.04 -1.45 1.01 -0.56 -4.82 120.40 124.45 1u6a s VAL 205 Ca 1.13 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.98 1u6a s VAL 205 Cb -1.28 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.04 1u6a s VAL 205 CO 0.63 0.23 -0.11 -0.89 0.00 0.00 0.00 175.10 174.96 1u6a s THR 206 N -1.49 0.98 -0.10 3.92 2.01 -1.26 0.83 115.64 120.53 1u6a s THR 206 Ca 0.48 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1u6a s THR 206 Cb -0.21 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1u6a s THR 206 CO 0.27 0.30 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.80 1u6a s LYS 207 N 0.24 2.20 0.32 4.92 -0.14 -0.17 -4.95 119.74 122.16 1u6a s LYS 207 Ca -0.05 -0.57 0.05 0.00 -1.36 0.00 0.00 55.97 54.05 1u6a s LYS 207 Cb -0.10 -1.82 -0.02 0.00 -1.68 0.00 0.00 37.83 34.20 1u6a s LYS 207 CO 0.01 -0.01 0.32 -1.13 -0.76 0.00 0.00 175.35 173.78 1u6a n SER 208 N 4.02 -0.82 -3.50 2.83 3.41 -1.26 0.04 113.62 118.34 1u6a n SER 208 Ca -0.20 -3.03 -0.11 0.00 -0.26 0.00 0.00 58.87 55.26 1u6a n SER 208 Cb 0.52 1.79 -0.03 0.00 -0.26 0.00 0.00 64.21 66.23 1u6a n SER 208 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1u6a s PHE 209 N -3.22 -0.45 -0.15 7.33 -0.12 -0.81 -5.00 117.98 115.56 1u6a s PHE 209 Ca 0.36 0.47 -0.06 0.00 -0.05 0.00 0.00 56.93 57.65 1u6a s PHE 209 Cb 0.01 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1u6a s PHE 209 CO 0.25 -0.60 0.07 -0.80 -0.05 0.00 0.00 175.22 174.09 1u6a s ASN 210 N -2.09 5.73 0.00 1.98 0.01 -1.26 -1.51 114.94 117.81 1u6a s ASN 210 Ca -0.00 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1u6a s ASN 210 Cb -0.01 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.77 1u6a s ASN 210 CO -0.05 0.28 0.00 -1.14 -1.51 0.00 0.00 177.10 174.68 1u6a n ARG 211 N 2.85 0.00 -3.37 -0.60 0.63 -0.07 -3.43 116.66 112.67 1u6a n ARG 211 Ca -0.18 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.49 1u6a n ARG 211 Cb 0.53 -0.99 -0.08 0.00 0.45 0.00 0.00 32.46 32.37 1u6a n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6a n GLY 212 N -0.30 3.87 0.83 5.14 0.00 -1.26 -5.12 105.19 108.35 1u6a n GLY 212 Ca 0.00 -2.23 0.13 0.00 0.00 0.00 0.00 46.02 43.92 1u6a n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50