#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6t s SER 2 N 0.00 2.60 0.04 1.69 0.15 -1.26 -4.88 113.70 112.04 1a6t s SER 2 Ca 0.00 -2.81 -0.31 0.00 0.70 0.00 0.00 55.95 53.53 1a6t s SER 2 Cb 0.00 -0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 63.60 1a6t s SER 2 CO 0.00 -0.22 1.32 -0.69 1.20 0.00 0.00 173.24 174.85 1a6t s VAL 3 N 0.26 3.76 -0.19 4.45 1.01 -1.26 -4.80 120.40 123.62 1a6t s VAL 3 Ca 0.25 1.21 -0.09 0.00 0.00 0.00 0.00 61.98 63.35 1a6t s VAL 3 Cb -0.10 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1a6t s VAL 3 CO -0.10 0.05 0.11 -0.76 0.00 0.00 0.00 175.10 174.40 1a6t s LEU 4 N 1.63 4.09 -0.15 3.92 1.43 -1.26 -1.36 118.68 126.99 1a6t s LEU 4 Ca 0.62 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1a6t s LEU 4 Cb -0.32 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1a6t s LEU 4 CO 0.28 0.18 -0.21 -0.44 0.23 0.00 0.00 176.35 176.38 1a6t s SER 5 N 0.35 3.13 -0.07 2.29 0.01 0.97 -3.97 113.70 116.41 1a6t s SER 5 Ca 0.07 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1a6t s SER 5 Cb -0.11 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 1a6t s SER 5 CO -0.01 0.06 -0.04 -1.10 0.41 0.00 0.00 173.24 172.56 1a6t s GLN 6 N 0.93 2.82 -0.09 12.44 -0.21 -1.26 -0.04 119.66 134.24 1a6t s GLN 6 Ca -0.04 -0.51 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 1a6t s GLN 6 Cb -0.15 -2.66 0.03 0.00 1.00 0.00 0.00 33.01 31.23 1a6t s GLN 6 CO -0.05 0.67 0.31 -1.54 -2.12 0.00 0.00 175.29 172.57 1a6t s SER 7 N -0.89 -0.29 1.07 5.90 1.04 -0.56 -4.35 113.70 115.61 1a6t s SER 7 Ca 0.13 0.50 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 1a6t s SER 7 Cb -0.11 0.57 0.23 0.00 0.10 0.00 0.00 66.02 66.81 1a6t s SER 7 CO 0.02 -0.19 1.18 -2.16 0.98 0.00 0.00 173.24 173.07 1a6t s PRO 8 N -0.18 -0.14 -0.07 4.02 0.04 -1.26 -2.07 135.00 135.33 1a6t s PRO 8 Ca -0.03 -0.08 -0.23 0.00 0.04 0.00 0.00 61.00 60.70 1a6t s PRO 8 Cb -0.03 -1.72 -0.19 0.00 0.04 0.00 0.00 34.50 32.60 1a6t s PRO 8 CO 0.01 -2.99 0.90 0.00 0.04 0.00 0.00 177.00 174.96 1a6t h ALA 9 N -2.06 -0.09 -3.89 8.56 0.00 -1.82 -3.41 119.26 116.54 1a6t h ALA 9 Ca -0.46 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 53.47 1a6t h ALA 9 Cb 1.29 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.80 1a6t h ALA 9 CO 0.42 -0.19 -0.87 0.42 0.00 0.00 0.00 179.25 179.02 1a6t s ILE 10 N -3.21 2.17 -0.07 0.00 1.09 -1.26 -0.33 121.20 119.59 1a6t s ILE 10 Ca -0.15 -1.02 -0.00 0.00 -1.10 0.00 0.00 60.65 58.38 1a6t s ILE 10 Cb -0.00 -1.80 0.02 0.00 -1.06 0.00 0.00 42.46 39.62 1a6t s ILE 10 CO 0.56 0.57 -0.03 -0.22 -0.10 0.00 0.00 174.94 175.71 1a6t s LEU 11 N -0.10 0.97 -0.17 2.97 2.96 0.14 -4.93 118.68 120.52 1a6t s LEU 11 Ca -0.05 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1a6t s LEU 11 Cb -0.14 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.00 1a6t s LEU 11 CO 0.04 -0.13 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.82 1a6t s SER 12 N 1.58 3.34 0.02 3.68 1.04 -1.26 -0.19 113.70 121.92 1a6t s SER 12 Ca 0.00 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1a6t s SER 12 Cb -0.13 -1.51 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 1a6t s SER 12 CO -0.04 0.03 -0.13 0.00 0.98 0.00 0.00 173.24 174.08 1a6t s ALA 13 N 1.15 1.06 0.46 5.32 0.00 -1.01 -4.85 121.76 123.89 1a6t s ALA 13 Ca 0.01 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1a6t s ALA 13 Cb -0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.71 1a6t s ALA 13 CO -0.08 0.21 1.05 -1.12 0.00 0.00 0.00 175.76 175.82 1a6t s SER 14 N -0.89 6.42 0.38 0.00 0.01 -1.26 -2.29 113.70 116.07 1a6t s SER 14 Ca 0.02 1.99 -0.27 0.00 1.31 0.00 0.00 55.95 58.99 1a6t s SER 14 Cb -0.07 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.48 1a6t s SER 14 CO 0.01 -0.73 1.28 -0.81 0.41 0.00 0.00 173.24 173.40 1a6t n PRO 15 N -0.71 2.04 0.00 12.44 -0.05 -1.26 -2.16 135.00 145.29 1a6t n PRO 15 Ca 0.08 0.72 0.00 0.00 -0.05 0.00 0.00 63.50 64.25 1a6t n PRO 15 Cb 0.51 -2.35 0.00 0.00 -0.05 0.00 0.00 33.50 31.62 1a6t n PRO 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a6t n GLY 16 N 0.79 2.17 3.76 0.55 0.00 0.46 -4.93 105.19 108.00 1a6t n GLY 16 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1a6t n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a6t s GLU 17 N -0.90 1.90 -0.23 1.61 2.02 -0.92 -4.38 118.70 117.80 1a6t s GLU 17 Ca 0.00 0.89 -0.07 0.00 0.02 0.00 0.00 54.97 55.81 1a6t s GLU 17 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1a6t s GLU 17 CO 0.00 -1.81 0.06 0.21 0.02 0.00 0.00 175.26 173.73 1a6t s LYS 18 N -4.99 3.69 -0.03 1.61 2.20 -1.24 -0.17 119.74 120.82 1a6t s LYS 18 Ca 0.62 -0.47 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 1a6t s LYS 18 Cb -0.16 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1a6t s LYS 18 CO 0.56 -0.09 -0.23 0.08 -0.36 0.00 0.00 175.35 175.31 1a6t s VAL 19 N 1.34 2.32 -0.17 4.02 1.01 0.12 -4.99 120.40 124.06 1a6t s VAL 19 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1a6t s VAL 19 Cb -0.15 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 1a6t s VAL 19 CO 0.03 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 174.95 1a6t s ILE 20 N -0.61 2.84 -0.15 2.22 -1.09 -1.26 -0.28 121.20 122.86 1a6t s ILE 20 Ca 0.09 -0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 1a6t s ILE 20 Cb -0.10 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 1a6t s ILE 20 CO -0.00 0.50 -0.03 -0.04 -1.23 0.00 0.00 174.94 174.14 1a6t s MET 21 N 0.90 3.64 0.00 2.79 -1.94 0.91 -4.84 119.30 120.77 1a6t s MET 21 Ca -0.03 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 1a6t s MET 21 Cb -0.15 -2.92 -0.03 0.00 2.01 0.00 0.00 34.83 33.73 1a6t s MET 21 CO -0.01 0.28 -0.06 0.95 -0.01 0.00 0.00 175.02 176.17 1a6t s THR 22 N 0.27 3.72 -0.23 2.05 -4.23 -0.88 -0.63 115.64 115.70 1a6t s THR 22 Ca -0.02 -0.75 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 1a6t s THR 22 Cb -0.14 -2.62 0.08 0.00 1.34 0.00 0.00 72.50 71.15 1a6t s THR 22 CO 0.03 0.39 0.08 0.00 -0.54 0.00 0.00 174.62 174.57 1a6t s SER 24 N 1.91 5.29 -0.01 0.00 0.01 0.94 -1.89 113.70 119.95 1a6t s SER 24 Ca 0.03 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 1a6t s SER 24 Cb -0.17 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1a6t s SER 24 CO -0.17 -0.10 0.35 -2.16 0.41 0.00 0.00 173.24 171.57 1a6t s PRO 25 N 1.61 3.78 0.00 12.44 0.04 -1.21 -0.02 135.00 151.65 1a6t s PRO 25 Ca 0.06 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1a6t s PRO 25 Cb -0.16 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1a6t s PRO 25 CO 0.05 0.69 0.37 -1.13 0.04 0.00 0.00 177.00 177.02 1a6t n SER 26 N 1.70 0.37 -3.63 6.66 3.41 -0.46 -4.68 113.62 117.00 1a6t n SER 26 Ca -0.14 -1.11 -0.07 0.00 -0.26 0.00 0.00 58.87 57.29 1a6t n SER 26 Cb 0.53 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1a6t n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a6t s SER 27 N -0.78 -0.26 0.02 4.04 1.04 -1.26 -4.95 113.70 111.56 1a6t s SER 27 Ca 0.00 0.44 -0.37 0.00 0.48 0.00 0.00 55.95 56.50 1a6t s SER 27 Cb 0.00 0.42 -0.19 0.00 0.10 0.00 0.00 66.02 66.35 1a6t s SER 27 CO 0.00 -0.14 0.97 -1.20 0.98 0.00 0.00 173.24 173.85 1a6t n SER 29 N 1.50 -0.16 -4.16 7.02 7.64 -1.26 -4.69 113.62 119.51 1a6t n SER 29 Ca -0.10 1.12 -0.27 0.00 1.01 0.00 0.00 58.87 60.63 1a6t n SER 29 Cb 0.57 -0.89 -0.16 0.00 -1.01 0.00 0.00 64.21 62.72 1a6t n SER 29 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1a6t s VAL 30 N -0.12 1.53 0.01 0.44 1.01 0.24 -4.92 120.40 118.59 1a6t s VAL 30 Ca 0.85 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1a6t s VAL 30 Cb -1.19 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1a6t s VAL 30 CO 0.55 0.44 0.94 0.28 0.00 0.00 0.00 175.10 177.31 1a6t h SER 31 N 6.15 -0.35 -3.20 3.32 0.02 -1.94 -3.28 113.55 114.27 1a6t h SER 31 Ca -0.33 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.14 1a6t h SER 31 Cb 1.17 0.09 -0.15 0.00 0.14 0.00 0.00 62.40 63.65 1a6t h SER 31 CO 0.48 -0.21 -0.75 -0.31 -1.14 0.00 0.00 176.83 174.90 1a6t s TYR 32 N -3.49 1.82 -0.05 3.45 2.02 -1.26 -4.78 117.35 115.05 1a6t s TYR 32 Ca -0.06 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1a6t s TYR 32 Cb 0.01 -0.85 -0.00 0.00 -0.40 0.00 0.00 41.96 40.71 1a6t s TYR 32 CO 0.18 0.39 -0.18 1.41 -1.57 0.00 0.00 175.55 175.79 1a6t s MET 33 N -3.34 2.00 0.02 -0.62 1.75 -1.26 -4.69 119.30 113.16 1a6t s MET 33 Ca 0.21 -0.64 0.03 0.00 -1.25 0.00 0.00 55.69 54.04 1a6t s MET 33 Cb -0.03 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 35.93 1a6t s MET 33 CO 0.08 0.22 -0.05 -0.65 -0.65 0.00 0.00 175.02 173.97 1a6t s GLN 34 N 0.15 2.56 0.00 4.11 -1.52 -0.77 -0.86 119.66 123.34 1a6t s GLN 34 Ca -0.07 -0.74 0.06 0.00 -1.95 0.00 0.00 55.36 52.66 1a6t s GLN 34 Cb -0.13 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.12 1a6t s GLN 34 CO 0.03 0.59 -0.20 -1.58 -0.25 0.00 0.00 175.29 173.88 1a6t s TRP 35 N -1.08 1.78 0.16 0.91 0.52 0.82 0.54 118.94 122.59 1a6t s TRP 35 Ca 0.19 -0.35 0.08 0.00 0.02 0.00 0.00 56.10 56.04 1a6t s TRP 35 Cb -0.11 -1.11 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 1a6t s TRP 35 CO 0.10 0.01 -0.17 0.71 0.02 0.00 0.00 176.95 177.62 1a6t s TYR 36 N -0.58 1.74 -0.08 -1.98 1.51 0.18 -0.82 117.35 117.32 1a6t s TYR 36 Ca 0.07 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1a6t s TYR 36 Cb -0.08 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1a6t s TYR 36 CO 0.00 0.30 -0.24 -1.14 -1.11 0.00 0.00 175.55 173.36 1a6t s GLN 37 N -2.85 2.83 -0.07 -0.62 0.74 -0.69 -0.73 119.66 118.27 1a6t s GLN 37 Ca 0.15 -0.88 0.01 0.00 0.05 0.00 0.00 55.36 54.69 1a6t s GLN 37 Cb -0.05 -2.25 0.02 0.00 1.10 0.00 0.00 33.01 31.83 1a6t s GLN 37 CO 0.06 0.28 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.86 1a6t s GLN 38 N 0.10 1.31 -0.10 1.67 0.74 -0.19 -0.51 119.66 122.67 1a6t s GLN 38 Ca -0.12 -0.25 -0.00 0.00 0.05 0.00 0.00 55.36 55.04 1a6t s GLN 38 Cb -0.16 -1.23 -0.03 0.00 1.10 0.00 0.00 33.01 32.70 1a6t s GLN 38 CO 0.06 -0.09 -0.07 0.15 -0.55 0.00 0.00 175.29 174.79 1a6t s LYS 39 N 1.04 3.11 0.09 1.67 1.02 -1.26 -1.78 119.74 123.63 1a6t s LYS 39 Ca -0.08 -0.57 -0.35 0.00 0.02 0.00 0.00 55.97 54.98 1a6t s LYS 39 Cb -0.14 -2.68 -0.18 0.00 -0.52 0.00 0.00 37.83 34.31 1a6t s LYS 39 CO -0.00 0.46 0.95 -2.30 -0.92 0.00 0.00 175.35 173.54 1a6t n PRO 40 N 2.83 0.29 -1.01 -1.68 -0.02 -1.26 -1.68 135.00 132.46 1a6t n PRO 40 Ca -0.18 0.10 -0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1a6t n PRO 40 Cb 0.53 -1.47 -0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1a6t n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6t n GLY 41 N 1.79 0.46 3.16 -1.23 0.00 -1.26 -5.02 105.19 103.09 1a6t n GLY 41 Ca 0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1a6t n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a6t s SER 42 N -2.18 0.88 0.62 1.61 0.01 -0.67 -5.16 113.70 108.82 1a6t s SER 42 Ca 0.00 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.09 1a6t s SER 42 Cb 0.00 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 1a6t s SER 42 CO 0.00 -0.55 1.03 -0.94 0.41 0.00 0.00 173.24 173.19 1a6t s SER 43 N -3.03 6.12 0.77 2.44 1.04 -1.26 -4.62 113.70 115.15 1a6t s SER 43 Ca 0.14 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.90 1a6t s SER 43 Cb 0.06 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.77 1a6t s SER 43 CO -0.04 -0.94 1.17 -2.84 0.98 0.00 0.00 173.24 171.57 1a6t s PRO 44 N -5.07 1.99 -0.04 4.02 0.02 -1.26 -4.67 135.00 129.99 1a6t s PRO 44 Ca 0.56 1.61 0.06 0.00 0.02 0.00 0.00 61.00 63.25 1a6t s PRO 44 Cb -0.11 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1a6t s PRO 44 CO 0.52 -1.92 -0.23 0.15 -0.33 0.00 0.00 177.00 175.19 1a6t s LYS 45 N -4.19 2.18 0.19 5.54 1.02 0.33 -4.94 119.74 119.86 1a6t s LYS 45 Ca 0.70 -0.83 -0.32 0.00 0.02 0.00 0.00 55.97 55.54 1a6t s LYS 45 Cb -0.25 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.00 1a6t s LYS 45 CO 0.49 0.41 1.75 -1.25 -0.92 0.00 0.00 175.35 175.82 1a6t s PRO 46 N -0.27 4.13 -0.01 -1.68 0.04 -1.26 -1.70 135.00 134.25 1a6t s PRO 46 Ca 0.01 2.60 -0.07 0.00 0.04 0.00 0.00 61.00 63.59 1a6t s PRO 46 Cb -0.12 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1a6t s PRO 46 CO 0.02 -0.77 -0.13 1.87 0.04 0.00 0.00 177.00 178.02 1a6t n TRP 47 N 4.43 0.00 -4.17 0.56 -0.00 0.00 -4.71 117.44 113.55 1a6t n TRP 47 Ca 0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.47 1a6t n TRP 47 Cb 0.36 -0.19 -0.16 0.00 -0.00 0.00 0.00 31.31 31.32 1a6t n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1a6t s ILE 48 N -2.34 0.53 0.25 5.87 1.01 -0.77 0.01 121.20 125.75 1a6t s ILE 48 Ca -0.11 -0.13 0.11 0.00 0.00 0.00 0.00 60.65 60.52 1a6t s ILE 48 Cb 0.02 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1a6t s ILE 48 CO 0.16 0.22 -0.20 -0.72 0.00 0.00 0.00 174.94 174.40 1a6t s TYR 49 N 0.85 2.17 -1.76 3.97 1.13 0.34 -0.12 117.35 123.93 1a6t s TYR 49 Ca -0.11 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 1a6t s TYR 49 Cb -0.14 -0.98 0.00 0.00 -1.10 0.00 0.00 41.96 39.74 1a6t s TYR 49 CO 0.00 0.60 0.00 0.43 -2.51 0.00 0.00 175.55 174.08 1a6t n SER 50 N -0.38 -5.26 0.00 -0.18 7.64 -1.25 -1.33 113.62 112.86 1a6t n SER 50 Ca -0.07 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1a6t n SER 50 Cb 0.59 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 1a6t n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1a6t n THR 51 N -3.25 0.00 -0.51 0.44 -1.04 -0.04 -4.41 114.28 105.47 1a6t n THR 51 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1a6t n THR 51 Cb 0.65 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1a6t n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a6t n SER 52 N 0.00 0.00 -4.72 8.00 3.41 -1.18 -1.20 113.62 117.92 1a6t n SER 52 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1a6t n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1a6t n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1a6t s ASN 53 N 0.00 7.26 0.01 4.04 0.01 -0.44 -4.48 114.94 121.35 1a6t s ASN 53 Ca 0.00 1.52 -0.20 0.00 -0.71 0.00 0.00 52.86 53.48 1a6t s ASN 53 Cb 0.00 -2.51 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 1a6t s ASN 53 CO 0.00 -0.14 0.57 -0.76 -1.51 0.00 0.00 177.10 175.25 1a6t s LEU 54 N 0.61 4.44 0.75 0.60 1.43 -1.26 -0.51 118.68 124.75 1a6t s LEU 54 Ca 0.45 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 1a6t s LEU 54 Cb -0.20 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.18 1a6t s LEU 54 CO 0.25 0.16 1.10 0.00 0.23 0.00 0.00 176.35 178.09 1a6t s ALA 55 N -0.44 2.60 0.17 4.21 0.00 0.10 -4.88 121.76 123.51 1a6t s ALA 55 Ca 0.30 -0.30 -0.34 0.00 0.00 0.00 0.00 51.96 51.62 1a6t s ALA 55 Cb -0.18 -3.06 -0.14 0.00 0.00 0.00 0.00 23.12 19.75 1a6t s ALA 55 CO 0.17 -1.43 1.60 0.45 0.00 0.00 0.00 175.76 176.56 1a6t n SER 56 N -3.21 3.24 0.00 0.00 2.88 -1.26 -2.01 113.62 113.25 1a6t n SER 56 Ca 0.07 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1a6t n SER 56 Cb 0.57 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1a6t n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6t n GLY 57 N 3.51 0.48 3.68 0.46 0.00 -1.26 -5.05 105.19 107.01 1a6t n GLY 57 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1a6t n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6t s VAL 58 N -2.18 5.18 0.69 1.61 1.01 -0.85 -5.06 120.40 120.80 1a6t s VAL 58 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 1a6t s VAL 58 Cb 0.00 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1a6t s VAL 58 CO 0.00 0.26 1.14 -2.16 0.00 0.00 0.00 175.10 174.34 1a6t s PRO 59 N 1.21 2.55 0.00 2.72 0.04 -1.26 -4.88 135.00 135.37 1a6t s PRO 59 Ca 0.21 1.50 0.10 0.00 0.04 0.00 0.00 61.00 62.86 1a6t s PRO 59 Cb -0.15 -1.91 0.59 0.00 0.04 0.00 0.00 34.50 33.07 1a6t s PRO 59 CO 0.08 -1.47 1.13 0.41 0.04 0.00 0.00 177.00 177.20 1a6t n GLY 60 N -0.23 -0.45 0.00 0.56 0.00 -1.26 -2.28 105.19 101.53 1a6t n GLY 60 Ca 0.11 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1a6t n GLY 60 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a6t n ARG 61 N -1.12 0.73 -4.14 1.61 1.85 -1.26 -4.75 116.66 109.59 1a6t n ARG 61 Ca 0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.60 1a6t n ARG 61 Cb 0.05 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.89 1a6t n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a6t s PHE 62 N -2.25 3.21 -0.22 2.89 0.08 -0.97 -0.93 117.98 119.81 1a6t s PHE 62 Ca 0.39 0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.45 1a6t s PHE 62 Cb 0.21 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 41.02 1a6t s PHE 62 CO 0.40 0.52 0.54 -1.54 -0.10 0.00 0.00 175.22 175.04 1a6t s SER 63 N -1.79 -0.69 0.40 1.36 1.04 -0.66 -4.99 113.70 108.36 1a6t s SER 63 Ca 0.23 1.17 0.08 0.00 0.48 0.00 0.00 55.95 57.91 1a6t s SER 63 Cb -0.12 1.07 -0.02 0.00 0.10 0.00 0.00 66.02 67.05 1a6t s SER 63 CO 0.14 -0.21 0.38 -0.83 0.98 0.00 0.00 173.24 173.71 1a6t s GLY 64 N 1.30 2.04 -0.02 7.32 0.00 -1.26 -0.57 107.32 116.13 1a6t s GLY 64 Ca -0.08 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.77 1a6t s GLY 64 CO -0.13 -1.65 0.26 0.61 0.00 0.00 0.00 173.10 172.19 1a6t n GLY 65 N -1.55 0.37 0.00 0.20 0.00 -0.01 -4.52 105.19 99.69 1a6t n GLY 65 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1a6t n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6t n GLY 66 N -0.19 0.67 3.58 -0.02 0.00 -1.26 -1.50 105.19 106.47 1a6t n GLY 66 Ca 0.01 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 1a6t n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a6t s SER 67 N -0.01 -0.56 0.00 1.61 0.01 -0.40 -4.93 113.70 109.42 1a6t s SER 67 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1a6t s SER 67 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1a6t s SER 67 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1a6t n GLY 68 N 1.49 0.24 0.10 3.44 0.00 -1.24 -2.00 105.19 107.23 1a6t n GLY 68 Ca -0.14 0.57 0.07 0.00 0.00 0.00 0.00 46.02 46.51 1a6t n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a6t n THR 69 N 0.00 1.44 -3.40 2.61 -2.24 -1.26 0.83 114.28 112.25 1a6t n THR 69 Ca 0.00 -1.69 -0.13 0.00 -2.27 0.00 0.00 64.05 59.97 1a6t n THR 69 Cb 0.00 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 1a6t n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a6t s SER 70 N -2.20 0.72 0.30 3.42 0.01 -0.84 -3.30 113.70 111.80 1a6t s SER 70 Ca 0.21 0.01 0.11 0.00 1.31 0.00 0.00 55.95 57.59 1a6t s SER 70 Cb 0.18 0.83 -0.06 0.00 0.21 0.00 0.00 66.02 67.18 1a6t s SER 70 CO 0.02 -0.31 -0.16 -0.36 0.41 0.00 0.00 173.24 172.84 1a6t s PHE 71 N 2.46 2.30 0.12 2.43 0.40 -0.79 -1.28 117.98 123.62 1a6t s PHE 71 Ca 0.10 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1a6t s PHE 71 Cb -0.15 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.27 1a6t s PHE 71 CO -0.16 0.65 0.31 -1.54 0.70 0.00 0.00 175.22 175.18 1a6t s SER 72 N -3.53 -0.06 -0.19 1.36 1.04 -0.56 -1.20 113.70 110.56 1a6t s SER 72 Ca 0.31 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1a6t s SER 72 Cb -0.02 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.58 1a6t s SER 72 CO 0.15 -0.83 0.01 -0.22 0.98 0.00 0.00 173.24 173.34 1a6t s LEU 73 N -2.86 1.37 -0.17 2.42 0.20 0.19 -0.83 118.68 119.00 1a6t s LEU 73 Ca 0.06 -0.81 -0.03 0.00 0.69 0.00 0.00 54.13 54.04 1a6t s LEU 73 Cb 0.03 -0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 45.08 1a6t s LEU 73 CO -0.09 -0.28 -0.05 -0.89 -0.29 0.00 0.00 176.35 174.75 1a6t s THR 74 N 1.78 3.63 -0.25 3.68 2.01 0.26 -0.06 115.64 126.70 1a6t s THR 74 Ca -0.01 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1a6t s THR 74 Cb -0.17 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1a6t s THR 74 CO -0.07 0.47 0.05 -0.63 -0.69 0.00 0.00 174.62 173.75 1a6t s ILE 75 N 0.74 4.14 0.14 1.82 1.01 0.61 -1.65 121.20 128.00 1a6t s ILE 75 Ca -0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 1a6t s ILE 75 Cb -0.15 -2.94 -0.09 0.00 0.01 0.00 0.00 42.46 39.30 1a6t s ILE 75 CO 0.02 0.34 1.42 0.28 0.00 0.00 0.00 174.94 177.00 1a6t h SER 76 N 8.22 0.92 -3.07 3.58 0.02 -1.31 0.38 113.55 122.28 1a6t h SER 76 Ca -0.39 -0.50 -0.58 0.00 -0.84 0.00 0.00 61.79 59.49 1a6t h SER 76 Cb 1.17 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 63.05 1a6t h SER 76 CO 0.58 1.29 -0.77 -0.83 -1.14 0.00 0.00 176.83 175.96 1a6t s GLY 77 N -4.00 1.04 -0.04 -3.77 0.00 -1.24 -3.63 107.32 95.68 1a6t s GLY 77 Ca -0.10 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 42.57 1a6t s GLY 77 CO 0.88 1.75 2.03 -0.62 0.00 0.00 0.00 173.10 177.15 1a6t n VAL 78 N 4.58 0.66 -3.06 1.40 0.31 0.76 -4.67 118.33 118.30 1a6t n VAL 78 Ca 0.01 -0.21 -0.18 0.00 -0.01 0.00 0.00 64.34 63.95 1a6t n VAL 78 Cb 0.40 -2.34 0.02 0.00 -0.91 0.00 0.00 33.84 31.01 1a6t n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1a6t s GLU 79 N 4.91 2.66 0.12 5.55 0.41 -1.26 -0.40 118.70 130.68 1a6t s GLU 79 Ca 0.92 -1.38 -0.20 0.00 -0.41 0.00 0.00 54.97 53.90 1a6t s GLU 79 Cb -0.44 -2.70 -0.08 0.00 -1.78 0.00 0.00 34.13 29.14 1a6t s GLU 79 CO 0.41 -0.44 1.76 0.00 -0.49 0.00 0.00 175.26 176.51 1a6t h ALA 80 N 0.54 0.23 0.00 5.21 0.00 -1.99 -2.52 119.26 120.72 1a6t h ALA 80 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1a6t h ALA 80 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a6t h ALA 80 CO 0.45 -0.28 0.00 -0.85 0.00 0.00 0.00 179.25 178.56 1a6t n GLU 81 N -4.95 0.31 0.07 0.00 0.28 -1.26 -2.32 120.64 112.77 1a6t n GLU 81 Ca -0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.09 1a6t n GLU 81 Cb 0.03 -1.43 0.23 0.00 1.43 0.00 0.00 31.44 31.71 1a6t n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1a6t n ASP 82 N -0.93 0.72 -4.58 -1.84 8.00 -0.95 -4.82 116.55 112.16 1a6t n ASP 82 Ca 0.06 0.22 -0.44 0.00 0.71 0.00 0.00 54.79 55.35 1a6t n ASP 82 Cb 0.03 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 1a6t n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a6t n ALA 83 N -1.81 1.69 -3.95 2.24 0.00 -0.98 -4.83 120.51 112.87 1a6t n ALA 83 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1a6t n ALA 83 Cb 0.43 -2.87 0.01 0.00 0.00 0.00 0.00 19.45 17.03 1a6t n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6t s ALA 84 N 8.22 -2.29 -0.18 0.00 0.00 -1.14 -4.94 121.76 121.42 1a6t s ALA 84 Ca 1.02 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 1a6t s ALA 84 Cb -0.41 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1a6t s ALA 84 CO 0.37 -1.13 0.05 0.99 0.00 0.00 0.00 175.76 176.04 1a6t s THR 85 N -2.07 4.65 -0.16 0.00 2.01 -0.73 -0.55 115.64 118.79 1a6t s THR 85 Ca 0.27 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1a6t s THR 85 Cb -0.01 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1a6t s THR 85 CO 0.00 0.45 0.02 -0.31 -0.69 0.00 0.00 174.62 174.10 1a6t s TYR 86 N 0.46 3.18 -0.09 4.92 1.51 0.15 -1.03 117.35 126.46 1a6t s TYR 86 Ca 0.02 -0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 1a6t s TYR 86 Cb -0.13 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1a6t s TYR 86 CO 0.01 0.17 -0.15 0.71 -1.11 0.00 0.00 175.55 175.18 1a6t s TYR 87 N 0.11 2.74 0.05 2.71 2.02 0.09 -1.19 117.35 123.88 1a6t s TYR 87 Ca 0.03 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1a6t s TYR 87 Cb -0.13 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1a6t s TYR 87 CO 0.01 -0.05 0.17 0.00 -1.57 0.00 0.00 175.55 174.12 1a6t s GLN 89 N -2.33 0.43 0.13 0.00 -0.44 0.19 -0.39 119.66 117.25 1a6t s GLN 89 Ca 0.32 -0.49 0.04 0.00 -2.50 0.00 0.00 55.36 52.73 1a6t s GLN 89 Cb -0.13 -0.27 -0.04 0.00 -1.64 0.00 0.00 33.01 30.93 1a6t s GLN 89 CO 0.24 0.06 -0.09 -1.14 0.50 0.00 0.00 175.29 174.86 1a6t s GLN 90 N -0.94 0.97 -0.02 1.67 -0.44 -0.48 -1.84 119.66 118.58 1a6t s GLN 90 Ca -0.06 -1.39 0.01 0.00 -2.50 0.00 0.00 55.36 51.42 1a6t s GLN 90 Cb -0.06 -0.48 0.03 0.00 -1.64 0.00 0.00 33.01 30.85 1a6t s GLN 90 CO 0.00 0.05 1.03 0.98 0.50 0.00 0.00 175.29 177.85 1a6t n TYR 91 N -0.10 -0.10 0.14 1.67 9.36 -1.26 -2.69 117.16 124.19 1a6t n TYR 91 Ca -0.11 -0.56 0.05 0.00 3.32 0.00 0.00 57.90 60.60 1a6t n TYR 91 Cb 0.60 0.53 0.04 0.00 -0.63 0.00 0.00 39.34 39.89 1a6t n TYR 91 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1a6t h SER 92 N 0.07 0.00 -4.72 2.98 0.02 -1.93 -3.46 113.55 106.51 1a6t h SER 92 Ca -0.56 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.86 1a6t h SER 92 Cb 1.42 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.84 1a6t h SER 92 CO -0.28 0.36 -0.43 -1.20 -1.14 0.00 0.00 176.83 174.15 1a6t n SER 93 N -3.12 1.93 -4.02 3.07 7.64 -1.26 -4.99 113.62 112.86 1a6t n SER 93 Ca 0.01 -2.99 -0.15 0.00 1.01 0.00 0.00 58.87 56.76 1a6t n SER 93 Cb 0.69 0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 64.48 1a6t n SER 93 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1a6t s HIS 94 N -2.84 0.62 1.03 1.43 2.46 -1.26 -4.29 115.29 112.44 1a6t s HIS 94 Ca 0.12 -0.30 -0.17 0.00 0.47 0.00 0.00 55.06 55.18 1a6t s HIS 94 Cb 0.01 -0.38 0.25 0.00 -0.13 0.00 0.00 32.58 32.32 1a6t s HIS 94 CO 0.09 -0.04 1.17 -0.35 -2.47 0.00 0.00 174.74 173.13 1a6t n PRO 95 N 2.18 -1.98 -1.79 2.88 -0.04 -1.26 -3.80 135.00 131.19 1a6t n PRO 95 Ca -0.18 -1.83 -0.42 0.00 -0.04 0.00 0.00 63.50 61.03 1a6t n PRO 95 Cb 0.56 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1a6t n PRO 95 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1a6t s LEU 96 N 0.00 4.39 0.19 1.53 2.96 -1.26 -4.76 118.68 121.73 1a6t s LEU 96 Ca 0.70 2.65 0.07 0.00 -0.22 0.00 0.00 54.13 57.33 1a6t s LEU 96 Cb -0.04 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1a6t s LEU 96 CO 0.51 -0.97 -0.13 0.42 -1.32 0.00 0.00 176.35 174.86 1a6t s THR 97 N 2.86 1.58 0.29 3.68 -4.23 -1.10 -5.02 115.64 113.71 1a6t s THR 97 Ca 0.79 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1a6t s THR 97 Cb -0.43 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.34 1a6t s THR 97 CO 0.35 -0.62 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.36 1a6t s PHE 98 N -3.07 2.10 0.54 3.99 0.40 -1.26 -1.38 117.98 119.30 1a6t s PHE 98 Ca 0.21 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1a6t s PHE 98 Cb 0.00 -1.16 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1a6t s PHE 98 CO 0.05 0.42 0.78 0.20 0.70 0.00 0.00 175.22 177.38 1a6t s GLY 99 N -3.49 1.69 0.00 4.36 0.00 0.48 -4.42 107.32 105.94 1a6t s GLY 99 Ca 0.30 -1.11 0.10 0.00 0.00 0.00 0.00 44.72 44.01 1a6t s GLY 99 CO 0.13 -0.85 1.30 0.61 0.00 0.00 0.00 173.10 174.29 1a6t n GLY 100 N -2.35 -0.79 0.00 0.20 0.00 -1.25 -4.69 105.19 96.31 1a6t n GLY 100 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1a6t n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6t n GLY 101 N -0.44 -0.39 2.92 -0.02 0.00 -1.26 -5.01 105.19 100.99 1a6t n GLY 101 Ca 0.03 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 1a6t n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6t s THR 102 N -3.03 1.01 -0.24 2.61 2.01 -0.33 -4.62 115.64 113.04 1a6t s THR 102 Ca 0.00 -0.30 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 1a6t s THR 102 Cb 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1a6t s THR 102 CO 0.00 0.36 0.30 -0.75 -0.69 0.00 0.00 174.62 173.84 1a6t s LYS 103 N 1.54 4.06 -0.23 4.92 2.20 0.56 0.35 119.74 133.14 1a6t s LYS 103 Ca 0.02 -0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.50 1a6t s LYS 103 Cb -0.13 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1a6t s LYS 103 CO -0.06 -0.11 0.11 -1.17 -0.36 0.00 0.00 175.35 173.75 1a6t s LEU 104 N 1.56 3.83 0.07 5.43 2.96 0.28 0.27 118.68 133.09 1a6t s LEU 104 Ca 0.13 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 1a6t s LEU 104 Cb -0.15 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1a6t s LEU 104 CO 0.08 0.06 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.34 1a6t s GLU 105 N 1.08 1.32 0.11 1.98 2.02 0.74 -2.89 118.70 123.05 1a6t s GLU 105 Ca 0.06 -1.08 -0.28 0.00 0.02 0.00 0.00 54.97 53.69 1a6t s GLU 105 Cb -0.14 -1.53 -0.06 0.00 0.10 0.00 0.00 34.13 32.50 1a6t s GLU 105 CO 0.04 0.38 0.89 -0.51 0.02 0.00 0.00 175.26 176.07 1a6t s LEU 106 N -1.55 4.51 -0.13 1.80 2.01 -1.26 -2.40 118.68 121.66 1a6t s LEU 106 Ca 0.08 1.70 -0.16 0.00 0.01 0.00 0.00 54.13 55.76 1a6t s LEU 106 Cb -0.09 -3.46 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 1a6t s LEU 106 CO 0.03 0.01 0.39 -0.75 1.01 0.00 0.00 176.35 177.04 1a6t s LYS 107 N -0.26 4.29 0.27 1.70 2.20 -0.97 -4.89 119.74 122.08 1a6t s LYS 107 Ca 0.43 0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 56.28 1a6t s LYS 107 Cb -0.23 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1a6t s LYS 107 CO 0.28 0.21 0.35 -0.98 -0.36 0.00 0.00 175.35 174.85 1a6t s ARG 108 N 0.50 1.56 0.51 4.03 1.70 -1.26 -4.50 118.95 121.49 1a6t s ARG 108 Ca 0.22 -1.58 -0.22 0.00 -0.47 0.00 0.00 55.73 53.67 1a6t s ARG 108 Cb -0.14 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.57 1a6t s ARG 108 CO 0.07 -0.60 1.29 0.00 -1.08 0.00 0.00 175.30 174.98 1a6t s ALA 109 N -3.74 2.88 0.59 7.88 0.00 -1.26 -4.93 121.76 123.17 1a6t s ALA 109 Ca 0.32 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.27 1a6t s ALA 109 Cb 0.02 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1a6t s ALA 109 CO 0.15 -1.11 1.26 -0.51 0.00 0.00 0.00 175.76 175.55 1a6t s ASP 110 N -1.09 5.12 -0.09 0.00 1.01 -1.26 -4.72 116.67 115.63 1a6t s ASP 110 Ca 0.68 2.54 -0.05 0.00 0.71 0.00 0.00 52.55 56.43 1a6t s ASP 110 Cb -0.36 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 40.99 1a6t s ASP 110 CO 0.43 -1.65 0.21 0.00 0.21 0.00 0.00 175.17 174.36 1a6t s ALA 111 N -1.46 -0.47 0.37 5.23 0.00 -1.26 -4.87 121.76 119.29 1a6t s ALA 111 Ca 0.77 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1a6t s ALA 111 Cb -0.35 -0.48 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 1a6t s ALA 111 CO 0.38 -0.15 0.98 0.00 0.00 0.00 0.00 175.76 176.98 1a6t s ALA 112 N 0.81 3.14 0.72 0.00 0.00 -1.26 -2.40 121.76 122.77 1a6t s ALA 112 Ca -0.06 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1a6t s ALA 112 Cb -0.07 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1a6t s ALA 112 CO -0.05 0.03 1.09 -1.25 0.00 0.00 0.00 175.76 175.58 1a6t s PRO 113 N -2.38 2.74 -0.44 0.00 0.04 -1.26 -4.53 135.00 129.18 1a6t s PRO 113 Ca 0.55 0.58 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 1a6t s PRO 113 Cb -0.18 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1a6t s PRO 113 CO 0.24 -1.14 0.29 0.99 0.04 0.00 0.00 177.00 177.41 1a6t s THR 114 N -3.26 4.10 0.19 1.26 2.01 0.12 -4.84 115.64 115.21 1a6t s THR 114 Ca 0.58 -1.65 -0.26 0.00 0.31 0.00 0.00 61.69 60.68 1a6t s THR 114 Cb -0.12 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 1a6t s THR 114 CO 0.53 -0.65 0.81 -0.69 -0.69 0.00 0.00 174.62 173.93 1a6t s VAL 115 N 1.36 4.32 -0.02 3.82 1.01 -1.25 -2.43 120.40 127.21 1a6t s VAL 115 Ca 0.05 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 1a6t s VAL 115 Cb -0.24 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1a6t s VAL 115 CO 0.00 0.49 0.04 -0.44 0.00 0.00 0.00 175.10 175.19 1a6t s SER 116 N -1.19 -0.01 -0.06 3.32 0.01 -0.69 -4.98 113.70 110.09 1a6t s SER 116 Ca 0.37 0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.76 1a6t s SER 116 Cb -0.23 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1a6t s SER 116 CO 0.27 -0.05 -0.23 -0.51 0.41 0.00 0.00 173.24 173.13 1a6t s ILE 117 N 0.34 1.95 -0.18 1.44 2.07 -1.26 -0.88 121.20 124.67 1a6t s ILE 117 Ca -0.03 -1.00 0.01 0.00 -1.41 0.00 0.00 60.65 58.22 1a6t s ILE 117 Cb -0.04 -1.66 0.03 0.00 0.13 0.00 0.00 42.46 40.93 1a6t s ILE 117 CO -0.01 0.54 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.08 1a6t s PHE 118 N -0.04 2.43 0.93 3.50 0.40 0.33 -5.00 117.98 120.53 1a6t s PHE 118 Ca -0.06 -1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 54.63 1a6t s PHE 118 Cb -0.14 -1.67 0.15 0.00 0.51 0.00 0.00 43.02 41.87 1a6t s PHE 118 CO 0.04 -0.74 1.10 -1.25 0.70 0.00 0.00 175.22 175.07 1a6t s PRO 119 N 1.40 0.93 0.23 0.24 0.04 -1.26 -2.53 135.00 134.04 1a6t s PRO 119 Ca 0.01 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 61.87 1a6t s PRO 119 Cb -0.15 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 1a6t s PRO 119 CO -0.09 -2.56 1.48 -2.30 0.04 0.00 0.00 177.00 173.57 1a6t n PRO 120 N -4.14 2.18 -2.05 0.56 -0.02 -1.25 -4.85 135.00 125.42 1a6t n PRO 120 Ca 0.08 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1a6t n PRO 120 Cb 0.54 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1a6t n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1a6t s SER 121 N 0.48 6.47 0.60 2.55 1.04 -1.26 -4.87 113.70 118.71 1a6t s SER 121 Ca 0.70 2.70 0.32 0.00 0.48 0.00 0.00 55.95 60.15 1a6t s SER 121 Cb -0.63 -2.64 1.86 0.00 0.10 0.00 0.00 66.02 64.71 1a6t s SER 121 CO 0.46 -0.75 2.22 0.77 0.98 0.00 0.00 173.24 176.93 1a6t h SER 122 N 2.94 0.00 -0.40 7.02 4.64 -2.00 0.46 113.55 126.21 1a6t h SER 122 Ca -0.49 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 1a6t h SER 122 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1a6t h SER 122 CO 0.64 0.00 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.20 1a6t h GLU 123 N 0.00 0.83 -0.11 4.77 3.07 -1.99 -2.06 114.58 119.09 1a6t h GLU 123 Ca 0.02 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.36 58.59 1a6t h GLU 123 Cb 0.15 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1a6t h GLU 123 CO -0.00 0.88 -0.06 0.37 -1.40 0.00 0.00 179.01 178.79 1a6t h GLN 124 N 0.76 0.24 -0.82 2.33 4.15 -1.21 -3.07 115.11 117.49 1a6t h GLN 124 Ca 0.14 -0.11 0.11 0.00 0.77 0.00 0.00 58.65 59.55 1a6t h GLN 124 Cb 0.55 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.16 1a6t h GLN 124 CO 0.03 0.60 0.45 -0.07 -1.93 0.00 0.00 178.83 177.92 1a6t h LEU 125 N -0.13 0.62 -1.31 -2.39 3.38 -1.31 0.42 115.31 114.59 1a6t h LEU 125 Ca 0.02 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.28 1a6t h LEU 125 Cb 0.53 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 1a6t h LEU 125 CO 0.02 0.33 0.63 0.74 0.09 0.00 0.00 178.44 180.25 1a6t h THR 126 N 0.73 0.63 -0.50 0.22 2.02 -1.28 0.34 112.91 115.08 1a6t h THR 126 Ca 0.41 -0.18 -0.18 0.00 0.77 0.00 0.00 66.41 67.24 1a6t h THR 126 Cb 0.44 0.08 -0.11 0.00 -1.74 0.00 0.00 68.15 66.82 1a6t h THR 126 CO -0.28 0.09 0.23 -1.20 0.37 0.00 0.00 175.52 174.73 1a6t n SER 127 N -4.63 3.65 -0.89 4.18 7.64 0.15 -4.90 113.62 118.82 1a6t n SER 127 Ca 0.23 -2.80 -0.10 0.00 1.01 0.00 0.00 58.87 57.20 1a6t n SER 127 Cb 0.72 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 1a6t n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6t n GLY 128 N -0.12 0.98 3.57 0.23 0.00 0.12 -4.95 105.19 105.02 1a6t n GLY 128 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1a6t n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a6t s GLY 129 N -2.14 2.13 -0.20 -0.02 0.00 -1.12 -2.38 107.32 103.58 1a6t s GLY 129 Ca 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 44.72 42.63 1a6t s GLY 129 CO 0.00 -1.98 0.40 0.00 0.00 0.00 0.00 173.10 171.52 1a6t s ALA 130 N -2.57 -1.10 -0.17 3.20 0.00 -0.21 -2.84 121.76 118.07 1a6t s ALA 130 Ca 0.33 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.68 1a6t s ALA 130 Cb 0.01 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.82 1a6t s ALA 130 CO 0.17 -0.81 -0.13 -1.12 0.00 0.00 0.00 175.76 173.87 1a6t s SER 131 N 2.59 2.97 -0.22 0.00 0.01 -1.26 0.15 113.70 117.94 1a6t s SER 131 Ca 0.00 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.47 1a6t s SER 131 Cb -0.12 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.86 1a6t s SER 131 CO -0.13 -0.09 0.35 -0.69 0.41 0.00 0.00 173.24 173.09 1a6t s VAL 132 N 1.45 5.23 0.09 3.43 1.01 0.05 -3.94 120.40 127.72 1a6t s VAL 132 Ca 0.03 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1a6t s VAL 132 Cb -0.14 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1a6t s VAL 132 CO -0.10 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.50 1a6t s VAL 133 N 1.33 3.52 -0.06 2.92 1.01 -1.05 -0.80 120.40 127.26 1a6t s VAL 133 Ca 0.16 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1a6t s VAL 133 Cb -0.15 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.64 1a6t s VAL 133 CO 0.07 0.15 0.11 0.00 0.00 0.00 0.00 175.10 175.44 1a6t s PHE 135 N 2.15 3.18 -0.51 0.00 0.08 -0.06 -0.40 117.98 122.43 1a6t s PHE 135 Ca 0.03 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.21 1a6t s PHE 135 Cb -0.12 -2.34 0.11 0.00 -0.57 0.00 0.00 43.02 40.10 1a6t s PHE 135 CO -0.05 -0.51 0.45 -0.51 -0.10 0.00 0.00 175.22 174.50 1a6t s LEU 136 N 1.58 5.94 0.15 -0.37 1.02 -0.51 -1.71 118.68 124.78 1a6t s LEU 136 Ca 0.04 -1.65 0.07 0.00 0.02 0.00 0.00 54.13 52.60 1a6t s LEU 136 Cb -0.17 -2.18 -0.04 0.00 0.02 0.00 0.00 46.19 43.82 1a6t s LEU 136 CO 0.05 -0.77 0.00 0.20 0.02 0.00 0.00 176.35 175.86 1a6t s ASN 137 N 3.17 4.86 -0.71 2.29 0.02 -1.02 0.22 114.94 123.77 1a6t s ASN 137 Ca 0.04 -0.33 -0.10 0.00 -1.02 0.00 0.00 52.86 51.45 1a6t s ASN 137 Cb -0.28 -1.08 0.02 0.00 0.02 0.00 0.00 41.25 39.93 1a6t s ASN 137 CO 0.04 0.11 0.63 0.59 0.02 0.00 0.00 177.10 178.49 1a6t n ASN 138 N 0.07 -5.47 -4.28 -1.22 4.13 -1.12 0.10 115.26 107.48 1a6t n ASN 138 Ca -0.10 -0.61 -0.16 0.00 1.68 0.00 0.00 54.58 55.39 1a6t n ASN 138 Cb 0.54 -2.24 -0.10 0.00 -1.54 0.00 0.00 39.78 36.44 1a6t n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a6t s PHE 139 N -2.61 1.44 -0.00 3.10 -0.12 -0.73 -4.39 117.98 114.66 1a6t s PHE 139 Ca 0.10 -0.65 -0.00 0.00 -0.05 0.00 0.00 56.93 56.34 1a6t s PHE 139 Cb -0.01 -0.71 -0.00 0.00 -0.63 0.00 0.00 43.02 41.66 1a6t s PHE 139 CO 0.87 0.18 -0.00 0.98 -0.05 0.00 0.00 175.22 177.20 1a6t n TYR 140 N -0.05 0.00 -1.47 3.49 9.36 -1.01 -0.96 117.16 126.51 1a6t n TYR 140 Ca -0.11 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.64 1a6t n TYR 140 Cb 0.60 -0.09 -0.07 0.00 -0.63 0.00 0.00 39.34 39.14 1a6t n TYR 140 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1a6t n PRO 141 N -2.41 0.93 -0.15 2.98 -0.02 -1.26 -4.62 135.00 130.45 1a6t n PRO 141 Ca -0.00 0.20 0.28 0.00 -2.02 0.00 0.00 63.50 61.97 1a6t n PRO 141 Cb 0.00 -2.50 0.67 0.00 -0.02 0.00 0.00 33.50 31.65 1a6t n PRO 141 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1a6t h LYS 142 N 13.57 0.00 -6.24 -0.52 3.64 -1.99 -3.39 116.57 121.65 1a6t h LYS 142 Ca -0.24 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.59 1a6t h LYS 142 Cb 1.31 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1a6t h LYS 142 CO 1.09 0.00 0.84 -0.51 -2.27 0.00 0.00 179.45 178.60 1a6t s ASP 143 N -4.68 6.95 0.05 4.20 1.01 -1.26 -5.00 116.67 117.94 1a6t s ASP 143 Ca -0.04 1.82 -0.11 0.00 0.71 0.00 0.00 52.55 54.93 1a6t s ASP 143 Cb 0.18 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.57 1a6t s ASP 143 CO 0.62 -0.71 0.25 -0.51 0.21 0.00 0.00 175.17 175.02 1a6t s ILE 144 N 2.96 0.10 -0.09 0.77 2.07 -1.26 -4.66 121.20 121.09 1a6t s ILE 144 Ca 0.57 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 1a6t s ILE 144 Cb -0.25 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.35 1a6t s ILE 144 CO 0.20 -0.47 -0.11 0.21 -1.91 0.00 0.00 174.94 172.86 1a6t s ASN 145 N -2.26 2.06 -0.04 4.50 2.47 -0.08 -4.94 114.94 116.65 1a6t s ASN 145 Ca -0.03 -0.33 0.05 0.00 0.42 0.00 0.00 52.86 52.97 1a6t s ASN 145 Cb 0.00 -0.89 -0.02 0.00 -1.45 0.00 0.00 41.25 38.89 1a6t s ASN 145 CO -0.05 -0.03 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.43 1a6t s VAL 146 N 1.12 2.76 -0.03 -5.21 1.01 -1.26 0.13 120.40 118.92 1a6t s VAL 146 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1a6t s VAL 146 Cb -0.14 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.21 1a6t s VAL 146 CO -0.02 0.59 0.01 -1.59 0.00 0.00 0.00 175.10 174.08 1a6t s LYS 147 N -0.65 0.24 0.27 2.72 -2.85 0.42 -4.95 119.74 114.95 1a6t s LYS 147 Ca 0.10 0.11 -0.07 0.00 -1.00 0.00 0.00 55.97 55.10 1a6t s LYS 147 Cb -0.11 -0.47 -0.06 0.00 -2.06 0.00 0.00 37.83 35.13 1a6t s LYS 147 CO 0.00 -0.16 0.57 -1.58 0.10 0.00 0.00 175.35 174.29 1a6t s TRP 148 N 1.12 3.45 -0.07 1.78 0.52 -1.26 -0.74 118.94 123.74 1a6t s TRP 148 Ca -0.08 0.78 -0.04 0.00 0.02 0.00 0.00 56.10 56.77 1a6t s TRP 148 Cb -0.13 -2.20 0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1a6t s TRP 148 CO -0.02 0.19 0.18 0.15 0.02 0.00 0.00 176.95 177.47 1a6t s LYS 149 N -3.25 0.15 -0.31 4.98 1.02 0.10 -2.08 119.74 120.35 1a6t s LYS 149 Ca 0.46 0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.85 1a6t s LYS 149 Cb -0.11 -0.08 0.09 0.00 -0.52 0.00 0.00 37.83 37.21 1a6t s LYS 149 CO 0.26 -0.12 0.01 0.42 -0.92 0.00 0.00 175.35 175.00 1a6t s ILE 150 N 0.86 2.13 -0.94 2.17 1.01 -0.08 -0.86 121.20 125.49 1a6t s ILE 150 Ca -0.06 -2.07 -0.03 0.00 0.00 0.00 0.00 60.65 58.49 1a6t s ILE 150 Cb -0.08 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1a6t s ILE 150 CO -0.05 -0.45 0.80 0.47 0.00 0.00 0.00 174.94 175.72 1a6t n ASP 151 N 4.35 -3.42 0.00 3.58 8.00 -0.30 -2.71 116.55 126.05 1a6t n ASP 151 Ca -0.01 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1a6t n ASP 151 Cb 0.42 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1a6t n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a6t n GLY 152 N -1.32 2.80 3.62 0.44 0.00 -1.26 -4.97 105.19 104.50 1a6t n GLY 152 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1a6t n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a6t s SER 153 N -2.15 6.30 0.28 1.61 0.15 -1.10 -5.03 113.70 113.75 1a6t s SER 153 Ca 0.00 0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.70 1a6t s SER 153 Cb 0.00 -2.21 -0.10 0.00 -1.71 0.00 0.00 66.02 61.99 1a6t s SER 153 CO 0.00 -0.16 1.39 -0.70 1.20 0.00 0.00 173.24 174.97 1a6t s GLU 154 N 1.89 4.30 -0.25 5.44 2.12 -1.26 -0.91 118.70 130.02 1a6t s GLU 154 Ca 0.16 2.27 0.02 0.00 0.36 0.00 0.00 54.97 57.77 1a6t s GLU 154 Cb -0.15 -3.10 0.06 0.00 0.26 0.00 0.00 34.13 31.20 1a6t s GLU 154 CO 0.09 -0.34 -0.07 0.50 -0.54 0.00 0.00 175.26 174.90 1a6t s ARG 155 N -0.88 1.90 0.00 4.30 3.52 -0.88 -4.91 118.95 121.99 1a6t s ARG 155 Ca 0.55 -1.21 0.24 0.00 -0.13 0.00 0.00 55.73 55.18 1a6t s ARG 155 Cb -0.41 -2.76 0.39 0.00 -1.56 0.00 0.00 34.95 30.61 1a6t s ARG 155 CO 0.47 -0.61 1.38 1.04 -0.81 0.00 0.00 175.30 176.77 1a6t n GLN 156 N 4.54 2.50 -3.99 5.12 6.02 -1.26 -4.37 117.38 125.93 1a6t n GLN 156 Ca -0.12 -2.25 -0.35 0.00 -0.01 0.00 0.00 57.00 54.26 1a6t n GLN 156 Cb 0.43 -1.51 -0.12 0.00 1.02 0.00 0.00 30.24 30.06 1a6t n GLN 156 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1a6t s ASN 157 N -1.57 5.04 0.00 1.08 2.47 -1.26 -4.45 114.94 116.24 1a6t s ASN 157 Ca 0.37 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.50 1a6t s ASN 157 Cb 0.23 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.15 1a6t s ASN 157 CO 0.32 0.06 0.00 0.61 -3.72 0.00 0.00 177.10 174.36 1a6t n GLY 158 N 4.30 0.85 3.78 1.21 0.00 -1.26 -4.89 105.19 109.18 1a6t n GLY 158 Ca -0.17 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1a6t n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6t s VAL 159 N -2.00 5.11 -0.17 1.61 1.01 -1.26 -1.66 120.40 123.05 1a6t s VAL 159 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1a6t s VAL 159 Cb 0.00 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1a6t s VAL 159 CO 0.00 0.47 -0.14 -0.22 0.00 0.00 0.00 175.10 175.21 1a6t s LEU 160 N -0.28 1.90 0.05 3.92 0.20 0.24 -4.95 118.68 119.76 1a6t s LEU 160 Ca 0.24 -0.62 0.07 0.00 0.69 0.00 0.00 54.13 54.51 1a6t s LEU 160 Cb -0.16 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1a6t s LEU 160 CO 0.11 -0.08 -0.16 0.20 -0.29 0.00 0.00 176.35 176.14 1a6t s ASN 161 N 1.44 3.97 -0.07 3.68 0.02 -1.26 -0.34 114.94 122.38 1a6t s ASN 161 Ca 0.03 -0.40 -0.12 0.00 -1.02 0.00 0.00 52.86 51.35 1a6t s ASN 161 Cb -0.14 -0.69 0.03 0.00 0.02 0.00 0.00 41.25 40.47 1a6t s ASN 161 CO -0.10 0.25 0.30 -0.55 0.02 0.00 0.00 177.10 177.01 1a6t s SER 162 N -1.57 -0.26 0.19 -1.22 0.15 -0.64 -5.00 113.70 105.35 1a6t s SER 162 Ca 0.16 0.38 0.10 0.00 0.70 0.00 0.00 55.95 57.29 1a6t s SER 162 Cb -0.11 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1a6t s SER 162 CO 0.07 -0.25 -0.21 0.26 1.20 0.00 0.00 173.24 174.31 1a6t s TRP 163 N -0.47 2.04 0.32 3.44 0.52 -1.26 -1.12 118.94 122.39 1a6t s TRP 163 Ca -0.06 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 55.71 1a6t s TRP 163 Cb -0.04 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 1a6t s TRP 163 CO 0.02 0.43 0.42 0.95 0.02 0.00 0.00 176.95 178.78 1a6t s THR 164 N -1.96 4.22 0.72 2.01 -4.23 -0.99 -5.02 115.64 110.38 1a6t s THR 164 Ca 0.19 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1a6t s THR 164 Cb -0.06 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.34 1a6t s THR 164 CO 0.09 -0.20 1.07 -1.81 -0.54 0.00 0.00 174.62 173.23 1a6t s ASP 165 N -4.10 5.10 0.10 3.99 1.01 -1.26 -4.58 116.67 116.93 1a6t s ASP 165 Ca 0.42 1.67 -0.35 0.00 0.71 0.00 0.00 52.55 55.00 1a6t s ASP 165 Cb -0.09 -2.49 -0.15 0.00 1.01 0.00 0.00 42.92 41.20 1a6t s ASP 165 CO 0.30 -1.63 1.55 1.67 0.21 0.00 0.00 175.17 177.26 1a6t n GLN 166 N -3.26 1.84 -1.83 8.23 7.27 -1.26 -4.80 117.38 123.57 1a6t n GLN 166 Ca 0.08 0.67 -0.41 0.00 0.07 0.00 0.00 57.00 57.40 1a6t n GLN 166 Cb 0.53 -2.40 -0.01 0.00 2.41 0.00 0.00 30.24 30.77 1a6t n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1a6t s ASP 167 N 1.18 6.39 0.16 1.69 -1.08 0.33 -4.89 116.67 120.46 1a6t s ASP 167 Ca 0.82 3.00 -0.08 0.00 -0.52 0.00 0.00 52.55 55.77 1a6t s ASP 167 Cb -0.77 -2.66 0.02 0.00 -1.46 0.00 0.00 42.92 38.05 1a6t s ASP 167 CO 0.43 -0.84 1.48 0.77 0.52 0.00 0.00 175.17 177.52 1a6t h SER 168 N 3.32 0.85 -0.02 -0.34 4.64 -1.90 -1.93 113.55 118.17 1a6t h SER 168 Ca -0.50 -0.42 -0.06 0.00 -0.47 0.00 0.00 61.79 60.33 1a6t h SER 168 Cb 1.23 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1a6t h SER 168 CO 0.66 1.19 -0.24 0.50 -0.87 0.00 0.00 176.83 178.07 1a6t h LYS 169 N 0.62 0.19 0.00 4.77 3.64 -1.98 -3.41 116.57 120.40 1a6t h LYS 169 Ca 0.03 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1a6t h LYS 169 Cb 1.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1a6t h LYS 169 CO 0.10 0.89 0.00 -0.40 -2.27 0.00 0.00 179.45 177.77 1a6t n ASP 170 N -4.51 0.82 -0.39 4.20 5.68 -1.25 -5.01 116.55 116.08 1a6t n ASP 170 Ca -0.09 -0.91 -0.04 0.00 -0.50 0.00 0.00 54.79 53.24 1a6t n ASP 170 Cb 0.48 0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 1a6t n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a6t n SER 171 N -0.17 -3.02 -4.80 -1.12 7.64 -0.73 -4.99 113.62 106.43 1a6t n SER 171 Ca 0.00 0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 1a6t n SER 171 Cb 0.00 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 61.74 1a6t n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a6t s THR 172 N -2.18 3.35 0.23 0.44 -4.23 -1.26 -4.64 115.64 107.34 1a6t s THR 172 Ca 0.00 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.06 1a6t s THR 172 Cb 0.00 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1a6t s THR 172 CO 0.00 -0.19 0.08 -0.31 -0.54 0.00 0.00 174.62 173.66 1a6t s TYR 173 N -2.35 2.93 0.10 3.99 2.02 -0.14 -0.51 117.35 123.39 1a6t s TYR 173 Ca 0.39 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 1a6t s TYR 173 Cb -0.04 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 1a6t s TYR 173 CO 0.25 0.55 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.57 1a6t s SER 174 N -3.49 1.40 0.04 2.29 0.01 -1.26 -1.78 113.70 110.90 1a6t s SER 174 Ca 0.31 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1a6t s SER 174 Cb -0.08 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 1a6t s SER 174 CO 0.22 -0.31 -0.06 -0.32 0.41 0.00 0.00 173.24 173.18 1a6t s MET 175 N -3.09 0.52 -0.09 12.44 1.75 0.13 -2.36 119.30 128.60 1a6t s MET 175 Ca 0.08 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1a6t s MET 175 Cb -0.01 -0.10 0.02 0.00 2.84 0.00 0.00 34.83 37.58 1a6t s MET 175 CO -0.01 -0.01 -0.11 0.45 -0.65 0.00 0.00 175.02 174.69 1a6t s SER 176 N -1.92 2.06 -0.19 1.11 0.15 -0.28 -1.43 113.70 113.20 1a6t s SER 176 Ca -0.07 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.27 1a6t s SER 176 Cb -0.06 -0.88 0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1a6t s SER 176 CO -0.02 -0.03 -0.13 -0.55 1.20 0.00 0.00 173.24 173.71 1a6t s SER 177 N 1.14 3.29 -0.14 5.45 0.15 0.46 -1.62 113.70 122.42 1a6t s SER 177 Ca -0.05 -0.81 -0.00 0.00 0.70 0.00 0.00 55.95 55.79 1a6t s SER 177 Cb -0.14 -1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 62.87 1a6t s SER 177 CO -0.02 -0.11 -0.13 -0.89 1.20 0.00 0.00 173.24 173.29 1a6t s THR 178 N 1.37 3.00 -0.21 6.45 2.01 0.54 -0.58 115.64 128.22 1a6t s THR 178 Ca 0.00 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1a6t s THR 178 Cb -0.15 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1a6t s THR 178 CO -0.09 0.52 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.07 1a6t s LEU 179 N 0.52 2.83 -0.13 4.42 2.96 0.02 0.82 118.68 130.13 1a6t s LEU 179 Ca -0.09 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1a6t s LEU 179 Cb -0.16 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1a6t s LEU 179 CO 0.04 -0.00 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.11 1a6t s THR 180 N 1.38 3.67 0.27 3.68 2.01 -0.66 -0.77 115.64 125.20 1a6t s THR 180 Ca 0.05 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.61 1a6t s THR 180 Cb -0.14 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1a6t s THR 180 CO -0.03 0.53 0.13 -0.76 -0.69 0.00 0.00 174.62 173.79 1a6t s LEU 181 N 0.04 1.57 0.21 4.42 1.43 0.12 -4.80 118.68 121.68 1a6t s LEU 181 Ca -0.01 -1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 51.42 1a6t s LEU 181 Cb -0.14 0.14 -0.08 0.00 0.03 0.00 0.00 46.19 46.14 1a6t s LEU 181 CO 0.03 -0.81 0.77 0.42 0.23 0.00 0.00 176.35 176.99 1a6t s THR 182 N -3.76 4.46 0.29 5.49 -4.23 -1.26 -1.05 115.64 115.58 1a6t s THR 182 Ca 0.37 1.48 0.04 0.00 -1.18 0.00 0.00 61.69 62.40 1a6t s THR 182 Cb 0.07 -3.96 0.31 0.00 1.34 0.00 0.00 72.50 70.25 1a6t s THR 182 CO 0.15 0.30 1.66 0.50 -0.54 0.00 0.00 174.62 176.69 1a6t h LYS 183 N 3.69 0.24 -0.25 3.99 3.64 -1.68 0.68 116.57 126.88 1a6t h LYS 183 Ca -0.48 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1a6t h LYS 183 Cb 1.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1a6t h LYS 183 CO 0.65 0.16 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.28 1a6t h ASP 184 N 0.25 0.49 1.06 4.20 3.32 -1.93 0.19 116.42 124.00 1a6t h ASP 184 Ca 0.57 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 57.31 1a6t h ASP 184 Cb 1.17 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1a6t h ASP 184 CO -0.63 0.75 -0.70 -0.08 -1.72 0.00 0.00 179.24 176.86 1a6t h GLU 185 N 0.42 0.00 -0.19 3.56 4.81 -0.97 -3.11 114.58 119.11 1a6t h GLU 185 Ca 0.06 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1a6t h GLU 185 Cb 0.69 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1a6t h GLU 185 CO 0.05 0.70 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.92 1a6t h TYR 186 N 0.00 0.56 0.00 0.92 3.20 0.78 -2.88 116.97 119.55 1a6t h TYR 186 Ca -0.01 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1a6t h TYR 186 Cb 1.42 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1a6t h TYR 186 CO 0.00 0.82 0.00 0.39 -1.64 0.00 0.00 178.16 177.73 1a6t n GLU 187 N -4.47 0.91 -0.68 1.82 1.02 -0.00 -2.86 120.64 116.39 1a6t n GLU 187 Ca -0.05 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.18 1a6t n GLU 187 Cb 0.39 -1.21 0.37 0.00 -0.02 0.00 0.00 31.44 30.98 1a6t n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a6t n ARG 188 N -0.71 3.97 -4.23 3.49 0.63 -1.08 -4.96 116.66 113.77 1a6t n ARG 188 Ca 0.09 -2.92 -0.18 0.00 -0.92 0.00 0.00 57.85 53.92 1a6t n ARG 188 Cb 0.04 -1.97 -0.07 0.00 0.45 0.00 0.00 32.46 30.91 1a6t n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1a6t s HIS 189 N -2.02 1.55 0.18 -0.14 3.76 -1.13 -5.09 115.29 112.40 1a6t s HIS 189 Ca 0.52 -1.56 0.00 0.00 -0.15 0.00 0.00 55.06 53.87 1a6t s HIS 189 Cb 0.35 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.50 1a6t s HIS 189 CO 0.23 -0.94 0.00 0.09 -0.85 0.00 0.00 174.74 173.27 1a6t n ASN 190 N -1.48 0.49 -4.66 1.40 4.13 -1.26 -4.81 115.26 109.07 1a6t n ASN 190 Ca 0.06 0.30 -0.39 0.00 1.68 0.00 0.00 54.58 56.23 1a6t n ASN 190 Cb 0.62 0.02 -0.07 0.00 -1.54 0.00 0.00 39.78 38.81 1a6t n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1a6t s SER 191 N -5.52 6.49 -0.19 6.41 1.04 -1.26 -0.65 113.70 120.02 1a6t s SER 191 Ca 0.00 0.58 -0.02 0.00 0.48 0.00 0.00 55.95 56.99 1a6t s SER 191 Cb 0.00 -2.26 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 1a6t s SER 191 CO 0.00 -0.13 -0.09 -0.31 0.98 0.00 0.00 173.24 173.69 1a6t s TYR 192 N 1.51 2.89 -0.01 5.02 2.02 -0.80 -1.15 117.35 126.83 1a6t s TYR 192 Ca 0.21 -1.00 0.05 0.00 -0.37 0.00 0.00 57.07 55.96 1a6t s TYR 192 Cb -0.15 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 1a6t s TYR 192 CO 0.09 -0.52 -0.16 0.99 -1.57 0.00 0.00 175.55 174.38 1a6t s THR 193 N 1.19 1.24 -0.17 -0.71 2.01 -0.04 -2.54 115.64 116.62 1a6t s THR 193 Ca 0.02 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1a6t s THR 193 Cb -0.14 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1a6t s THR 193 CO -0.03 0.35 -0.08 0.00 -0.69 0.00 0.00 174.62 174.17 1a6t s GLU 195 N 0.84 1.57 -0.06 0.00 2.02 0.08 -1.84 118.70 121.32 1a6t s GLU 195 Ca -0.02 -0.96 -0.12 0.00 0.02 0.00 0.00 54.97 53.89 1a6t s GLU 195 Cb -0.15 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 1a6t s GLU 195 CO 0.01 -0.60 0.31 0.00 0.02 0.00 0.00 175.26 175.00 1a6t s ALA 196 N 1.42 3.75 -0.21 5.21 0.00 0.17 -0.43 121.76 131.67 1a6t s ALA 196 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1a6t s ALA 196 Cb -0.19 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1a6t s ALA 196 CO -0.06 0.49 -0.11 0.99 0.00 0.00 0.00 175.76 177.07 1a6t s THR 197 N -0.92 1.75 0.07 0.00 2.01 0.35 -0.03 115.64 118.87 1a6t s THR 197 Ca 0.20 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1a6t s THR 197 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1a6t s THR 197 CO 0.09 0.16 -0.09 -2.28 -0.69 0.00 0.00 174.62 171.82 1a6t s HIS 198 N 1.34 0.86 0.60 4.92 2.46 -1.26 -0.90 115.29 123.31 1a6t s HIS 198 Ca -0.02 -0.58 0.29 0.00 0.47 0.00 0.00 55.06 55.22 1a6t s HIS 198 Cb -0.17 -0.50 1.63 0.00 -0.13 0.00 0.00 32.58 33.42 1a6t s HIS 198 CO -0.08 -0.05 2.03 -0.22 -2.47 0.00 0.00 174.74 173.95 1a6t h LYS 199 N 4.07 0.00 0.00 2.88 3.64 -1.93 -1.90 116.57 123.34 1a6t h LYS 199 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1a6t h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1a6t h LYS 199 CO 0.46 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.89 1a6t n THR 200 N -3.66 0.22 -3.89 1.00 -2.24 -1.26 -4.80 114.28 99.65 1a6t n THR 200 Ca 0.03 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1a6t n THR 200 Cb 0.42 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 1a6t n THR 200 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a6t s SER 201 N -2.35 0.04 0.11 3.42 0.01 -0.72 -4.95 113.70 109.26 1a6t s SER 201 Ca 0.25 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.40 1a6t s SER 201 Cb 0.14 0.18 -0.21 0.00 0.21 0.00 0.00 66.02 66.34 1a6t s SER 201 CO 0.29 -0.24 1.25 0.71 0.41 0.00 0.00 173.24 175.67 1a6t h THR 202 N 4.61 1.64 -2.42 1.44 1.35 -1.87 -3.44 112.91 114.23 1a6t h THR 202 Ca -0.29 -3.27 -0.56 0.00 -0.55 0.00 0.00 66.41 61.74 1a6t h THR 202 Cb 1.20 2.84 -0.09 0.00 -1.73 0.00 0.00 68.15 70.37 1a6t h THR 202 CO 0.42 0.94 -0.63 -0.94 -0.25 0.00 0.00 175.52 175.06 1a6t s SER 203 N -6.84 4.76 0.64 5.36 1.04 -1.26 -5.12 113.70 112.29 1a6t s SER 203 Ca -0.01 -0.51 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1a6t s SER 203 Cb 0.09 -0.98 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 1a6t s SER 203 CO 0.84 0.02 1.17 -2.84 0.98 0.00 0.00 173.24 173.41 1a6t s PRO 204 N -3.47 2.74 -0.25 4.02 0.02 -1.26 -4.84 135.00 131.97 1a6t s PRO 204 Ca 0.30 1.67 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 1a6t s PRO 204 Cb -0.08 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1a6t s PRO 204 CO 0.20 -1.35 0.18 0.42 -0.33 0.00 0.00 177.00 176.13 1a6t s ILE 205 N -1.92 5.34 0.17 2.83 1.01 0.96 -4.94 121.20 124.65 1a6t s ILE 205 Ca 0.73 0.21 0.11 0.00 0.00 0.00 0.00 60.65 61.70 1a6t s ILE 205 Cb -0.27 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1a6t s ILE 205 CO 0.38 0.31 -0.24 0.68 0.00 0.00 0.00 174.94 176.07 1a6t s VAL 206 N 1.26 2.23 -0.09 2.92 -7.23 -1.26 -0.66 120.40 117.58 1a6t s VAL 206 Ca 0.08 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1a6t s VAL 206 Cb -0.14 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1a6t s VAL 206 CO 0.06 -0.10 0.18 -0.75 -0.31 0.00 0.00 175.10 174.19 1a6t s LYS 207 N -2.53 0.11 0.17 4.82 2.47 -0.77 -5.02 119.74 119.00 1a6t s LYS 207 Ca 0.18 0.49 -0.11 0.00 -1.56 0.00 0.00 55.97 54.97 1a6t s LYS 207 Cb -0.08 -0.17 -0.00 0.00 -1.46 0.00 0.00 37.83 36.12 1a6t s LYS 207 CO 0.08 -0.21 0.35 -1.54 0.16 0.00 0.00 175.35 174.19 1a6t s SER 208 N 1.56 -0.03 -0.03 1.43 1.04 -1.26 -0.91 113.70 115.50 1a6t s SER 208 Ca -0.06 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.42 1a6t s SER 208 Cb -0.11 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1a6t s SER 208 CO -0.07 -0.94 0.38 0.72 0.98 0.00 0.00 173.24 174.31 1a6t s PHE 209 N -3.95 -0.28 -0.17 5.02 -0.12 -1.05 -5.03 117.98 112.40 1a6t s PHE 209 Ca 0.16 0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.53 1a6t s PHE 209 Cb 0.02 0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1a6t s PHE 209 CO -0.00 -0.41 -0.20 1.21 -0.05 0.00 0.00 175.22 175.77 1a6t s ASN 210 N -1.15 3.20 0.00 1.98 3.84 -1.26 -1.90 114.94 119.64 1a6t s ASN 210 Ca -0.12 -0.61 0.00 0.00 0.21 0.00 0.00 52.86 52.34 1a6t s ASN 210 Cb -0.04 -1.48 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 1a6t s ASN 210 CO 0.05 0.03 0.40 0.54 -2.79 0.00 0.00 177.10 175.33