#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6t s VAL 2 N 0.00 3.20 -0.08 6.31 1.01 -1.26 -3.87 120.40 125.72 1a6t s VAL 2 Ca 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1a6t s VAL 2 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1a6t s VAL 2 CO 0.00 0.07 0.18 -1.10 0.00 0.00 0.00 175.10 174.25 1a6t s GLN 3 N 1.07 0.15 -0.36 2.72 -0.21 -0.15 -4.98 119.66 117.89 1a6t s GLN 3 Ca 0.65 0.40 -0.01 0.00 0.02 0.00 0.00 55.36 56.42 1a6t s GLN 3 Cb -0.38 -0.11 0.09 0.00 1.00 0.00 0.00 33.01 33.61 1a6t s GLN 3 CO 0.31 -0.14 0.11 -0.51 -2.12 0.00 0.00 175.29 172.93 1a6t s LEU 4 N 1.01 4.74 -0.43 2.90 1.43 -1.26 -1.69 118.68 125.37 1a6t s LEU 4 Ca -0.08 -1.85 -0.18 0.00 -1.03 0.00 0.00 54.13 50.99 1a6t s LEU 4 Cb -0.09 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1a6t s LEU 4 CO -0.06 -0.42 0.51 -1.10 0.23 0.00 0.00 176.35 175.51 1a6t s GLN 5 N 1.11 3.14 0.40 1.70 1.11 -0.59 -3.54 119.66 122.99 1a6t s GLN 5 Ca 0.05 -0.68 -0.04 0.00 0.01 0.00 0.00 55.36 54.71 1a6t s GLN 5 Cb -0.21 -3.98 -0.04 0.00 -1.01 0.00 0.00 33.01 27.77 1a6t s GLN 5 CO -0.04 -0.93 0.67 -0.65 0.01 0.00 0.00 175.29 174.34 1a6t s GLN 6 N 2.36 3.55 0.75 2.91 -0.21 -1.26 -1.69 119.66 126.08 1a6t s GLN 6 Ca 0.15 0.00 -0.11 0.00 0.02 0.00 0.00 55.36 55.42 1a6t s GLN 6 Cb -0.17 -2.52 0.05 0.00 1.00 0.00 0.00 33.01 31.37 1a6t s GLN 6 CO 0.15 -0.00 1.10 -1.54 -2.12 0.00 0.00 175.29 172.87 1a6t s SER 7 N -3.87 4.58 1.34 5.90 1.04 -0.96 -4.97 113.70 116.76 1a6t s SER 7 Ca 0.44 1.87 -0.20 0.00 0.48 0.00 0.00 55.95 58.55 1a6t s SER 7 Cb -0.10 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 63.83 1a6t s SER 7 CO 0.39 -1.98 0.97 -0.83 0.98 0.00 0.00 173.24 172.76 1a6t s GLY 8 N -3.20 1.46 0.53 7.32 0.00 -1.26 -4.62 107.32 107.55 1a6t s GLY 8 Ca 0.63 -0.65 -0.22 0.00 0.00 0.00 0.00 44.72 44.48 1a6t s GLY 8 CO 0.53 0.28 1.39 -4.14 0.00 0.00 0.00 173.10 171.16 1a6t s PRO 9 N -4.93 3.22 0.01 2.90 0.02 -1.26 -4.74 135.00 130.22 1a6t s PRO 9 Ca 0.69 2.31 0.01 0.00 0.02 0.00 0.00 61.00 64.02 1a6t s PRO 9 Cb -0.16 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 32.01 1a6t s PRO 9 CO 0.60 -1.15 -0.04 0.34 -0.33 0.00 0.00 177.00 176.42 1a6t s ASP 10 N -0.82 0.40 -0.12 2.53 2.15 -0.71 -5.00 116.67 115.10 1a6t s ASP 10 Ca 0.70 -0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.44 1a6t s ASP 10 Cb -0.42 0.02 0.01 0.00 -0.30 0.00 0.00 42.92 42.22 1a6t s ASP 10 CO 0.51 -0.10 -0.22 -0.22 -0.17 0.00 0.00 175.17 174.96 1a6t s LEU 11 N -0.74 2.05 0.08 -1.34 2.96 -1.26 -0.78 118.68 119.66 1a6t s LEU 11 Ca -0.06 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 1a6t s LEU 11 Cb -0.05 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1a6t s LEU 11 CO -0.00 0.11 0.08 0.68 -1.32 0.00 0.00 176.35 175.90 1a6t s VAL 12 N 0.59 0.17 0.28 1.68 -7.23 0.07 -4.99 120.40 110.97 1a6t s VAL 12 Ca -0.13 -1.54 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1a6t s VAL 12 Cb -0.17 -1.50 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 1a6t s VAL 12 CO 0.04 -0.79 0.66 -0.54 -0.31 0.00 0.00 175.10 174.17 1a6t s LYS 13 N -3.91 3.94 0.27 4.82 1.02 -1.26 -1.10 119.74 123.52 1a6t s LYS 13 Ca 0.08 0.53 -0.30 0.00 0.02 0.00 0.00 55.97 56.31 1a6t s LYS 13 Cb 0.06 -2.54 -0.14 0.00 -0.52 0.00 0.00 37.83 34.70 1a6t s LYS 13 CO -0.09 0.23 1.19 -2.30 -0.92 0.00 0.00 175.35 173.46 1a6t n PRO 14 N -0.21 1.65 0.00 -1.68 -0.02 -1.26 -1.18 135.00 132.30 1a6t n PRO 14 Ca 0.02 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1a6t n PRO 14 Cb 0.53 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1a6t n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6t n GLY 15 N 1.47 3.17 0.53 -1.23 0.00 0.19 -4.93 105.19 104.39 1a6t n GLY 15 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1a6t n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6t n ALA 16 N -0.87 -0.22 -2.39 4.61 0.00 -0.32 -4.35 120.51 116.97 1a6t n ALA 16 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 1a6t n ALA 16 Cb 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.35 1a6t n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a6t s SER 17 N -1.68 0.22 0.04 0.00 1.04 -1.26 -2.44 113.70 109.62 1a6t s SER 17 Ca 0.10 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.52 1a6t s SER 17 Cb -0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1a6t s SER 17 CO 0.07 -0.75 0.09 0.68 0.98 0.00 0.00 173.24 174.30 1a6t s VAL 18 N -3.96 0.14 -0.31 5.02 -7.23 -0.94 -4.96 120.40 108.16 1a6t s VAL 18 Ca 0.15 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 1a6t s VAL 18 Cb 0.06 -0.96 0.08 0.00 0.56 0.00 0.00 36.38 36.12 1a6t s VAL 18 CO -0.03 -0.64 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.36 1a6t s LYS 19 N -2.78 1.74 0.04 4.82 2.20 -1.26 -0.04 119.74 124.46 1a6t s LYS 19 Ca -0.04 -1.64 -0.20 0.00 -0.36 0.00 0.00 55.97 53.74 1a6t s LYS 19 Cb -0.00 -3.04 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 1a6t s LYS 19 CO -0.05 -0.80 0.58 0.42 -0.36 0.00 0.00 175.35 175.14 1a6t s ILE 20 N 1.01 4.82 0.38 5.43 1.01 0.93 -4.90 121.20 129.87 1a6t s ILE 20 Ca 0.03 1.23 0.08 0.00 0.00 0.00 0.00 60.65 61.99 1a6t s ILE 20 Cb -0.19 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1a6t s ILE 20 CO -0.07 0.49 0.16 -0.94 0.00 0.00 0.00 174.94 174.58 1a6t s SER 21 N -0.67 4.54 -0.28 3.58 1.04 -1.26 -0.45 113.70 120.19 1a6t s SER 21 Ca 0.30 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1a6t s SER 21 Cb -0.19 -0.59 0.17 0.00 0.10 0.00 0.00 66.02 65.51 1a6t s SER 21 CO 0.18 -0.42 0.50 0.00 0.98 0.00 0.00 173.24 174.48 1a6t s LYS 23 N 2.69 4.23 -0.13 0.00 2.20 -0.68 -0.49 119.74 127.56 1a6t s LYS 23 Ca 0.13 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.76 1a6t s LYS 23 Cb -0.13 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1a6t s LYS 23 CO -0.24 0.18 0.01 0.00 -0.36 0.00 0.00 175.35 174.95 1a6t s ALA 24 N 0.64 3.27 0.08 3.13 0.00 0.05 -1.54 121.76 127.39 1a6t s ALA 24 Ca 0.16 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1a6t s ALA 24 Cb -0.13 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 1a6t s ALA 24 CO 0.04 0.38 0.09 -1.54 0.00 0.00 0.00 175.76 174.73 1a6t s SER 25 N -0.23 0.29 0.00 0.00 1.04 -0.68 -4.85 113.70 109.27 1a6t s SER 25 Ca 0.06 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1a6t s SER 25 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1a6t s SER 25 CO 0.02 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1a6t n GLY 26 N -0.00 0.89 3.57 7.32 0.00 -1.25 -0.98 105.19 114.75 1a6t n GLY 26 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1a6t n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a6t s TYR 27 N -2.67 0.28 -0.58 1.61 1.13 -1.26 -4.35 117.35 111.51 1a6t s TYR 27 Ca 0.00 -0.64 -0.27 0.00 -1.41 0.00 0.00 57.07 54.75 1a6t s TYR 27 Cb 0.00 0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 41.08 1a6t s TYR 27 CO 0.00 -0.97 1.68 0.45 -2.51 0.00 0.00 175.55 174.19 1a6t s SER 28 N -2.99 5.66 0.03 -0.18 0.15 -1.26 -4.92 113.70 110.20 1a6t s SER 28 Ca 0.20 0.36 -0.08 0.00 0.70 0.00 0.00 55.95 57.13 1a6t s SER 28 Cb -0.01 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1a6t s SER 28 CO 0.07 -2.07 1.13 0.15 1.20 0.00 0.00 173.24 173.73 1a6t h PHE 29 N 13.17 -0.44 0.00 3.44 3.57 -1.97 -2.40 116.94 132.32 1a6t h PHE 29 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1a6t h PHE 29 Cb 1.13 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1a6t h PHE 29 CO 1.04 -0.11 0.00 -1.13 -2.23 0.00 0.00 178.31 175.88 1a6t n SER 30 N -3.42 0.13 -0.92 0.41 3.41 -1.26 -3.15 113.62 108.83 1a6t n SER 30 Ca -0.01 -1.02 0.07 0.00 -0.26 0.00 0.00 58.87 57.66 1a6t n SER 30 Cb 0.08 -0.07 0.23 0.00 -0.26 0.00 0.00 64.21 64.19 1a6t n SER 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1a6t n THR 31 N -0.30 1.64 -3.87 6.66 -2.24 -0.90 -4.27 114.28 110.99 1a6t n THR 31 Ca 0.00 -1.36 -0.11 0.00 -2.27 0.00 0.00 64.05 60.31 1a6t n THR 31 Cb 0.03 0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1a6t n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a6t s TYR 32 N -1.84 0.04 0.05 4.78 2.02 -1.19 -5.07 117.35 116.15 1a6t s TYR 32 Ca 0.36 -0.12 -0.25 0.00 -0.37 0.00 0.00 57.07 56.69 1a6t s TYR 32 Cb 0.24 -0.05 -0.06 0.00 -0.40 0.00 0.00 41.96 41.70 1a6t s TYR 32 CO 0.15 -0.27 0.75 0.71 -1.57 0.00 0.00 175.55 175.33 1a6t s TYR 33 N -1.28 3.75 -0.16 2.71 1.51 -1.25 -4.35 117.35 118.28 1a6t s TYR 33 Ca -0.14 1.47 -0.11 0.00 -1.01 0.00 0.00 57.07 57.28 1a6t s TYR 33 Cb -0.07 -2.80 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 1a6t s TYR 33 CO 0.01 0.30 0.21 1.41 -1.11 0.00 0.00 175.55 176.38 1a6t s MET 34 N -0.17 4.11 0.24 -0.62 1.75 -0.95 -1.32 119.30 122.34 1a6t s MET 34 Ca 0.38 -0.05 0.11 0.00 -1.25 0.00 0.00 55.69 54.88 1a6t s MET 34 Cb -0.21 -3.38 -0.05 0.00 2.84 0.00 0.00 34.83 34.03 1a6t s MET 34 CO 0.23 0.36 -0.20 -1.01 -0.65 0.00 0.00 175.02 173.75 1a6t s HIS 35 N 0.16 2.16 -0.06 4.11 3.76 0.63 -1.03 115.29 125.03 1a6t s HIS 35 Ca 0.13 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1a6t s HIS 35 Cb -0.12 -0.98 -0.00 0.00 1.11 0.00 0.00 32.58 32.59 1a6t s HIS 35 CO 0.02 0.59 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.74 1a6t s TRP 36 N -2.40 1.84 -0.00 1.40 0.52 -0.97 -0.61 118.94 118.72 1a6t s TRP 36 Ca 0.26 -0.59 0.05 0.00 0.02 0.00 0.00 56.10 55.85 1a6t s TRP 36 Cb -0.05 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 1a6t s TRP 36 CO 0.12 -0.22 -0.17 0.08 0.02 0.00 0.00 176.95 176.78 1a6t s VAL 37 N 0.16 1.36 -0.10 4.03 1.01 -0.08 -0.71 120.40 126.07 1a6t s VAL 37 Ca -0.07 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1a6t s VAL 37 Cb -0.13 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1a6t s VAL 37 CO 0.03 0.33 -0.11 -0.75 0.00 0.00 0.00 175.10 174.60 1a6t s LYS 38 N -0.56 3.04 -0.01 2.72 2.20 0.13 -0.09 119.74 127.17 1a6t s LYS 38 Ca 0.06 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 1a6t s LYS 38 Cb -0.07 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 1a6t s LYS 38 CO -0.00 0.42 -0.12 -1.14 -0.36 0.00 0.00 175.35 174.14 1a6t s GLN 39 N -0.18 1.01 -1.03 4.03 0.74 0.53 0.11 119.66 124.87 1a6t s GLN 39 Ca 0.01 -0.45 -0.03 0.00 0.05 0.00 0.00 55.36 54.95 1a6t s GLN 39 Cb -0.13 -0.98 0.31 0.00 1.10 0.00 0.00 33.01 33.31 1a6t s GLN 39 CO 0.03 0.27 1.52 0.43 -0.55 0.00 0.00 175.29 176.99 1a6t n SER 40 N 2.77 6.49 -2.96 6.67 7.64 -1.04 0.09 113.62 133.28 1a6t n SER 40 Ca -0.14 -3.49 -0.05 0.00 1.01 0.00 0.00 58.87 56.20 1a6t n SER 40 Cb 0.56 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1a6t n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1a6t n HIS 41 N 0.91 -2.52 -2.15 1.43 -0.00 -1.26 -4.12 115.22 107.50 1a6t n HIS 41 Ca 0.31 1.09 -0.07 0.00 -0.00 0.00 0.00 57.72 59.06 1a6t n HIS 41 Cb 0.32 -2.84 -0.00 0.00 -0.00 0.00 0.00 29.99 27.47 1a6t n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1a6t n GLY 42 N 0.69 0.10 0.00 -1.41 0.00 -1.26 -4.96 105.19 98.34 1a6t n GLY 42 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1a6t n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a6t n LYS 43 N -1.67 0.00 -1.62 1.61 4.76 -1.26 -5.14 118.16 114.84 1a6t n LYS 43 Ca -0.08 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.89 1a6t n LYS 43 Cb 0.56 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.72 1a6t n LYS 43 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1a6t n SER 44 N 0.00 2.02 -4.86 4.39 3.41 -1.26 -4.66 113.62 112.67 1a6t n SER 44 Ca 0.00 1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 59.40 1a6t n SER 44 Cb 0.00 -1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 62.57 1a6t n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1a6t s LEU 45 N 0.40 4.26 -0.14 1.04 1.43 -1.26 -2.50 118.68 121.91 1a6t s LEU 45 Ca 0.71 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 54.11 1a6t s LEU 45 Cb -0.75 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.26 1a6t s LEU 45 CO 0.51 0.34 0.30 -0.70 0.23 0.00 0.00 176.35 177.02 1a6t s GLU 46 N -1.43 0.22 0.38 1.70 2.12 0.31 -4.96 118.70 117.03 1a6t s GLU 46 Ca 0.20 0.73 -0.27 0.00 0.36 0.00 0.00 54.97 55.99 1a6t s GLU 46 Cb -0.12 -0.01 -0.09 0.00 0.26 0.00 0.00 34.13 34.17 1a6t s GLU 46 CO 0.10 -0.23 1.25 -0.46 -0.54 0.00 0.00 175.26 175.38 1a6t s TRP 47 N 1.97 3.00 -0.20 5.30 -0.00 -1.26 0.17 118.94 127.91 1a6t s TRP 47 Ca -0.04 1.48 -0.10 0.00 -0.00 0.00 0.00 56.10 57.44 1a6t s TRP 47 Cb -0.11 -3.56 -0.08 0.00 -0.00 0.00 0.00 33.47 29.72 1a6t s TRP 47 CO -0.10 -1.69 -0.26 -0.89 -0.00 0.00 0.00 176.95 174.02 1a6t n ILE 48 N 0.32 1.11 -1.90 5.86 5.41 0.11 -4.73 119.36 125.55 1a6t n ILE 48 Ca 0.03 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1a6t n ILE 48 Cb 0.44 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 1a6t n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a6t n GLY 49 N 1.75 -1.85 3.23 7.39 0.00 -1.25 -1.41 105.19 113.06 1a6t n GLY 49 Ca -0.38 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1a6t n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a6t s ARG 50 N -1.69 1.31 0.02 1.61 1.04 0.20 -2.29 118.95 119.15 1a6t s ARG 50 Ca 0.00 -1.69 -0.02 0.00 -1.04 0.00 0.00 55.73 52.98 1a6t s ARG 50 Cb 0.00 0.29 -0.02 0.00 -2.04 0.00 0.00 34.95 33.18 1a6t s ARG 50 CO 0.00 -0.44 0.01 0.14 -0.04 0.00 0.00 175.30 174.97 1a6t s VAL 51 N -4.03 0.11 -0.50 4.99 -7.23 -0.19 -1.67 120.40 111.88 1a6t s VAL 51 Ca 0.39 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.45 1a6t s VAL 51 Cb 0.06 -0.41 0.06 0.00 0.56 0.00 0.00 36.38 36.65 1a6t s VAL 51 CO 0.15 -0.51 0.58 -0.62 -0.31 0.00 0.00 175.10 174.39 1a6t s ASP 52 N -1.57 6.21 0.54 4.85 -1.08 0.12 -2.25 116.67 123.50 1a6t s ASP 52 Ca -0.14 -1.01 0.29 0.00 -0.52 0.00 0.00 52.55 51.17 1a6t s ASP 52 Cb -0.08 -2.27 1.45 0.00 -1.46 0.00 0.00 42.92 40.56 1a6t s ASP 52 CO -0.01 -0.85 1.94 -0.65 0.52 0.00 0.00 175.17 176.11 1a6t h PRO 52 N 8.95 0.00 0.00 4.34 0.11 -1.84 0.17 132.00 143.73 1a6t h PRO 52 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1a6t h PRO 52 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1a6t h PRO 52 CO 0.95 0.00 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.79 1a6t h ASP 53 N 0.00 0.00 -0.13 -2.05 5.19 -1.92 -3.40 116.42 114.11 1a6t h ASP 53 Ca 0.32 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1a6t h ASP 53 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1a6t h ASP 53 CO -0.00 0.87 0.00 -0.46 -3.12 0.00 0.00 179.24 176.52 1a6t n ASN 54 N -4.61 1.16 -0.36 6.45 6.94 -1.15 -4.90 115.26 118.78 1a6t n ASN 54 Ca -0.11 -1.67 -0.05 0.00 -0.02 0.00 0.00 54.58 52.73 1a6t n ASN 54 Cb 0.31 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.62 1a6t n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a6t n GLY 55 N 1.00 0.46 3.69 4.83 0.00 0.59 -4.93 105.19 110.83 1a6t n GLY 55 Ca 0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1a6t n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a6t s GLY 56 N -2.18 2.38 0.26 -0.02 0.00 -1.25 -4.67 107.32 101.84 1a6t s GLY 56 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 44.72 45.31 1a6t s GLY 56 CO 0.00 1.97 0.18 -0.51 0.00 0.00 0.00 173.10 174.75 1a6t s THR 57 N 1.82 4.32 -0.01 0.90 -4.23 -1.26 0.16 115.64 117.34 1a6t s THR 57 Ca 0.52 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1a6t s THR 57 Cb -0.21 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.30 1a6t s THR 57 CO 0.22 -0.34 0.02 -0.55 -0.54 0.00 0.00 174.62 173.42 1a6t s SER 58 N -3.84 0.08 0.27 3.99 0.15 -0.67 -4.95 113.70 108.73 1a6t s SER 58 Ca 0.33 0.02 0.05 0.00 0.70 0.00 0.00 55.95 57.05 1a6t s SER 58 Cb -0.08 -0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.12 1a6t s SER 58 CO 0.25 -0.08 -0.02 -0.36 1.20 0.00 0.00 173.24 174.23 1a6t s PHE 59 N 0.67 1.84 -0.28 3.44 0.40 -1.26 0.62 117.98 123.41 1a6t s PHE 59 Ca -0.06 -0.82 -0.10 0.00 -0.60 0.00 0.00 56.93 55.36 1a6t s PHE 59 Cb -0.08 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 1a6t s PHE 59 CO -0.02 0.13 0.15 1.21 0.70 0.00 0.00 175.22 177.39 1a6t s ASN 60 N -3.41 5.64 0.00 1.36 3.84 -0.50 -4.92 114.94 116.95 1a6t s ASN 60 Ca 0.30 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.16 1a6t s ASN 60 Cb 0.05 -2.03 0.00 0.00 -0.55 0.00 0.00 41.25 38.72 1a6t s ASN 60 CO 0.12 -0.09 0.00 1.67 -2.79 0.00 0.00 177.10 176.00 1a6t n GLN 61 N 5.01 0.00 0.32 0.43 0.00 -1.26 0.38 117.38 122.25 1a6t n GLN 61 Ca -0.15 0.00 0.17 0.00 -0.00 0.00 0.00 57.00 57.02 1a6t n GLN 61 Cb 0.51 0.00 0.88 0.00 0.00 0.00 0.00 30.24 31.63 1a6t n GLN 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1a6t h LYS 62 N 0.00 0.00 0.13 3.69 3.11 -1.95 -2.78 116.57 118.77 1a6t h LYS 62 Ca 0.00 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.49 1a6t h LYS 62 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1a6t h LYS 62 CO 0.00 0.00 -1.84 0.74 -2.81 0.00 0.00 179.45 175.54 1a6t h PHE 63 N 0.00 0.49 0.00 1.91 0.04 -0.40 -3.46 116.94 115.53 1a6t h PHE 63 Ca 0.02 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1a6t h PHE 63 Cb 0.59 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1a6t h PHE 63 CO 0.00 1.62 0.00 1.17 -0.60 0.00 0.00 178.31 180.50 1a6t n LYS 64 N -3.46 0.00 0.00 1.51 3.00 -1.05 0.25 118.16 118.41 1a6t n LYS 64 Ca -0.26 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.14 1a6t n LYS 64 Cb 1.06 0.00 0.57 0.00 0.00 0.00 0.00 35.03 36.65 1a6t n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a6t n GLY 65 N -0.48 -0.70 0.09 3.14 0.00 -1.26 -3.84 105.19 102.14 1a6t n GLY 65 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1a6t n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6t n LYS 66 N -0.93 0.51 -3.76 1.61 4.81 0.69 -4.76 118.16 116.34 1a6t n LYS 66 Ca 0.14 0.53 -0.37 0.00 -0.87 0.00 0.00 58.31 57.74 1a6t n LYS 66 Cb 0.07 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.35 1a6t n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a6t s ALA 67 N -2.55 3.81 -0.39 3.14 0.00 -1.24 -1.59 121.76 122.94 1a6t s ALA 67 Ca -0.23 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1a6t s ALA 67 Cb 0.05 -2.11 0.11 0.00 0.00 0.00 0.00 23.12 21.16 1a6t s ALA 67 CO 0.42 0.54 0.13 0.42 0.00 0.00 0.00 175.76 177.26 1a6t s ILE 68 N -0.90 2.67 -0.14 0.00 1.09 -0.40 -4.86 121.20 118.65 1a6t s ILE 68 Ca 0.17 -2.38 -0.26 0.00 -1.10 0.00 0.00 60.65 57.08 1a6t s ILE 68 Cb -0.13 -2.90 -0.02 0.00 -1.06 0.00 0.00 42.46 38.35 1a6t s ILE 68 CO 0.06 -0.66 0.86 -0.76 -0.10 0.00 0.00 174.94 174.34 1a6t s LEU 69 N 0.82 4.20 0.14 2.97 1.43 -1.26 -2.40 118.68 124.59 1a6t s LEU 69 Ca 0.11 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1a6t s LEU 69 Cb -0.21 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1a6t s LEU 69 CO -0.06 -0.38 -0.04 -0.89 0.23 0.00 0.00 176.35 175.21 1a6t s THR 70 N 1.99 0.75 -0.08 5.49 2.01 -0.58 -4.97 115.64 120.25 1a6t s THR 70 Ca 0.41 -1.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.37 1a6t s THR 70 Cb -0.17 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.43 1a6t s THR 70 CO 0.14 -0.65 0.21 -0.69 -0.69 0.00 0.00 174.62 172.94 1a6t s VAL 71 N -3.60 -0.01 -0.70 3.82 1.01 -1.26 -0.53 120.40 119.13 1a6t s VAL 71 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1a6t s VAL 71 Cb 0.05 -0.30 0.18 0.00 0.00 0.00 0.00 36.38 36.31 1a6t s VAL 71 CO 0.00 0.01 0.53 -0.62 0.00 0.00 0.00 175.10 175.03 1a6t s ASP 72 N 0.37 5.42 0.66 3.32 -1.08 -0.30 -4.96 116.67 120.10 1a6t s ASP 72 Ca -0.02 -3.11 0.26 0.00 -0.52 0.00 0.00 52.55 49.15 1a6t s ASP 72 Cb -0.04 -1.87 1.40 0.00 -1.46 0.00 0.00 42.92 40.95 1a6t s ASP 72 CO -0.02 -0.31 1.79 0.50 0.52 0.00 0.00 175.17 177.65 1a6t h LYS 73 N 6.72 0.00 0.00 4.34 3.64 -1.87 -0.79 116.57 128.61 1a6t h LYS 73 Ca 0.04 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.12 1a6t h LYS 73 Cb 0.91 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 1a6t h LYS 73 CO 0.74 0.00 -1.77 0.43 -2.27 0.00 0.00 179.45 176.58 1a6t n SER 74 N -2.90 0.82 -0.37 4.20 7.64 -1.26 -3.93 113.62 117.82 1a6t n SER 74 Ca -0.01 0.38 0.13 0.00 1.01 0.00 0.00 58.87 60.38 1a6t n SER 74 Cb 0.49 0.01 0.42 0.00 -1.01 0.00 0.00 64.21 64.13 1a6t n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a6t n SER 75 N -3.03 1.30 -3.73 6.43 7.64 -0.36 -4.92 113.62 116.96 1a6t n SER 75 Ca -0.19 -1.18 -0.24 0.00 1.01 0.00 0.00 58.87 58.27 1a6t n SER 75 Cb 1.06 0.09 0.04 0.00 -1.01 0.00 0.00 64.21 64.39 1a6t n SER 75 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a6t n SER 76 N -0.24 -3.23 -3.97 6.43 2.88 -0.85 -4.80 113.62 109.83 1a6t n SER 76 Ca 0.15 -0.74 -0.20 0.00 -1.33 0.00 0.00 58.87 56.75 1a6t n SER 76 Cb 0.36 -4.27 -0.16 0.00 -0.75 0.00 0.00 64.21 59.40 1a6t n SER 76 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a6t s THR 77 N -3.46 0.71 -0.07 2.46 2.01 -1.17 -0.77 115.64 115.34 1a6t s THR 77 Ca 0.31 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1a6t s THR 77 Cb -0.15 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1a6t s THR 77 CO 0.80 0.23 0.08 0.00 -0.69 0.00 0.00 174.62 175.04 1a6t s ALA 78 N 0.33 3.61 0.05 7.40 0.00 0.35 -1.15 121.76 132.35 1a6t s ALA 78 Ca -0.05 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1a6t s ALA 78 Cb -0.09 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 1a6t s ALA 78 CO 0.00 0.63 -0.22 0.71 0.00 0.00 0.00 175.76 176.89 1a6t s TYR 79 N -1.03 1.89 -0.09 0.00 2.02 0.31 -0.65 117.35 119.80 1a6t s TYR 79 Ca 0.17 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1a6t s TYR 79 Cb -0.12 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1a6t s TYR 79 CO 0.07 0.11 -0.11 1.41 -1.57 0.00 0.00 175.55 175.45 1a6t s MET 80 N -1.26 1.74 -0.18 -0.62 -2.45 0.40 -1.52 119.30 115.41 1a6t s MET 80 Ca 0.08 -0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.10 1a6t s MET 80 Cb -0.09 -1.57 -0.02 0.00 1.25 0.00 0.00 34.83 34.40 1a6t s MET 80 CO 0.02 -0.10 -0.05 -2.00 1.05 0.00 0.00 175.02 173.95 1a6t s GLU 81 N 1.10 3.50 -0.19 4.11 2.12 -1.01 -0.05 118.70 128.28 1a6t s GLU 81 Ca -0.06 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 1a6t s GLU 81 Cb -0.14 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1a6t s GLU 81 CO -0.02 0.03 0.06 -0.51 -0.54 0.00 0.00 175.26 174.28 1a6t s LEU 82 N 0.90 3.72 0.20 2.70 1.43 0.94 -1.28 118.68 127.30 1a6t s LEU 82 Ca -0.01 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1a6t s LEU 82 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1a6t s LEU 82 CO 0.01 0.14 0.01 -0.83 0.23 0.00 0.00 176.35 175.91 1a6t s GLY 82 N 0.56 1.68 -1.14 -3.19 0.00 -0.62 -2.21 107.32 102.40 1a6t s GLY 82 Ca 0.03 -1.45 -0.24 0.00 0.00 0.00 0.00 44.72 43.06 1a6t s GLY 82 CO 0.01 -1.48 0.77 1.44 0.00 0.00 0.00 173.10 173.84 1a6t n SER 82 N -0.38 -5.10 -4.74 1.64 7.64 -1.24 -4.83 113.62 106.61 1a6t n SER 82 Ca -0.09 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.31 1a6t n SER 82 Cb 0.56 -2.97 -0.03 0.00 -1.01 0.00 0.00 64.21 60.76 1a6t n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a6t s LEU 82 N -6.64 4.42 0.00 -3.43 1.43 -1.02 -4.74 118.68 108.69 1a6t s LEU 82 Ca 0.47 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1a6t s LEU 82 Cb -0.19 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1a6t s LEU 82 CO 0.89 -0.51 0.03 0.35 0.23 0.00 0.00 176.35 177.34 1a6t n THR 83 N 2.69 0.00 0.26 5.49 -2.24 -1.26 0.54 114.28 119.75 1a6t n THR 83 Ca 0.06 -1.38 0.12 0.00 -2.27 0.00 0.00 64.05 60.59 1a6t n THR 83 Cb 0.43 0.21 0.21 0.00 -2.10 0.00 0.00 70.33 69.08 1a6t n THR 83 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a6t h SER 84 N 0.66 0.00 -0.29 3.42 4.64 -1.97 -2.71 113.55 117.30 1a6t h SER 84 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1a6t h SER 84 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1a6t h SER 84 CO 0.39 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.73 1a6t n GLU 85 N -3.02 1.74 -0.22 4.77 -0.58 -1.26 -2.47 120.64 119.60 1a6t n GLU 85 Ca 0.04 -1.08 0.11 0.00 -0.42 0.00 0.00 57.16 55.80 1a6t n GLU 85 Cb 0.51 -1.26 0.27 0.00 -0.57 0.00 0.00 31.44 30.38 1a6t n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1a6t n ASP 86 N 0.37 3.05 -4.61 1.62 8.00 -1.02 -4.82 116.55 119.13 1a6t n ASP 86 Ca 0.10 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1a6t n ASP 86 Cb 0.27 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1a6t n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a6t s SER 87 N -1.30 6.61 0.00 -2.24 0.01 -1.03 -4.82 113.70 110.93 1a6t s SER 87 Ca 0.38 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1a6t s SER 87 Cb 0.21 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1a6t s SER 87 CO 0.29 -0.57 0.00 0.00 0.41 0.00 0.00 173.24 173.37 1a6t n ALA 88 N 6.11 0.00 -2.91 1.44 0.00 -1.04 -4.91 120.51 119.19 1a6t n ALA 88 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 1a6t n ALA 88 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1a6t n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a6t s VAL 89 N -2.56 3.76 -0.11 0.00 1.01 0.11 -1.36 120.40 121.25 1a6t s VAL 89 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1a6t s VAL 89 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1a6t s VAL 89 CO 0.00 0.52 -0.12 -0.31 0.00 0.00 0.00 175.10 175.19 1a6t s TYR 90 N 0.14 2.83 0.23 5.22 2.02 0.85 -0.35 117.35 128.29 1a6t s TYR 90 Ca -0.02 -0.45 0.11 0.00 -0.37 0.00 0.00 57.07 56.34 1a6t s TYR 90 Cb -0.14 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1a6t s TYR 90 CO 0.03 -0.06 -0.21 0.71 -1.57 0.00 0.00 175.55 174.45 1a6t s TYR 91 N 0.04 2.18 -0.21 2.71 2.02 0.87 -0.54 117.35 124.42 1a6t s TYR 91 Ca -0.04 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1a6t s TYR 91 Cb -0.14 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.46 1a6t s TYR 91 CO 0.04 0.57 -0.04 0.00 -1.57 0.00 0.00 175.55 174.55 1a6t s ALA 93 N 1.52 1.70 0.05 0.00 0.00 0.22 -0.73 121.76 124.51 1a6t s ALA 93 Ca -0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 50.94 1a6t s ALA 93 Cb -0.18 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1a6t s ALA 93 CO -0.07 0.26 0.77 -0.98 0.00 0.00 0.00 175.76 175.74 1a6t s ARG 94 N 0.23 4.50 -0.14 0.00 1.70 -0.81 -0.27 118.95 124.16 1a6t s ARG 94 Ca -0.10 1.08 -0.07 0.00 -0.47 0.00 0.00 55.73 56.17 1a6t s ARG 94 Cb -0.14 -3.36 -0.04 0.00 -0.57 0.00 0.00 34.95 30.83 1a6t s ARG 94 CO 0.04 0.29 0.09 0.50 -1.08 0.00 0.00 175.30 175.14 1a6t s ARG 95 N -0.07 3.63 0.00 3.89 3.52 -0.43 -3.03 118.95 126.46 1a6t s ARG 95 Ca 0.39 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1a6t s ARG 95 Cb -0.21 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1a6t s ARG 95 CO 0.23 0.55 0.00 -0.40 -0.81 0.00 0.00 175.30 174.87 1a6t n ASP 96 N 2.69 0.00 0.00 -2.12 5.75 -0.78 -3.92 116.55 118.16 1a6t n ASP 96 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1a6t n ASP 96 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1a6t n ASP 96 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1a6t n ASP 97 N 0.00 2.85 -0.02 -1.12 8.00 -1.26 -4.88 116.55 120.13 1a6t n ASP 97 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1a6t n ASP 97 Cb 0.00 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1a6t n ASP 97 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a6t n TYR 98 N -1.48 0.00 -4.39 1.24 4.01 -1.26 -5.13 117.16 110.15 1a6t n TYR 98 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1a6t n TYR 98 Cb 0.29 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1a6t n TYR 98 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1a6t n TYR 99 N -3.12 0.25 -2.94 -0.72 4.11 -1.26 -5.08 117.16 108.40 1a6t n TYR 99 Ca -0.06 -1.83 -0.44 0.00 -0.00 0.00 0.00 57.90 55.57 1a6t n TYR 99 Cb 0.54 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.34 39.80 1a6t n TYR 99 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1a6t s PHE 100 N -2.56 2.92 0.10 -3.48 0.08 -1.26 -1.87 117.98 111.92 1a6t s PHE 100 Ca 0.11 -0.97 0.10 0.00 0.12 0.00 0.00 56.93 56.29 1a6t s PHE 100 Cb 0.01 -4.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.23 1a6t s PHE 100 CO 0.08 -1.51 1.40 0.38 -0.10 0.00 0.00 175.22 175.47 1a6t h ASP 101 N 9.19 0.00 -3.77 1.36 2.03 -1.91 -3.45 116.42 119.87 1a6t h ASP 101 Ca -0.12 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.81 1a6t h ASP 101 Cb 1.06 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.25 1a6t h ASP 101 CO 1.13 0.80 -0.77 -0.36 -1.03 0.00 0.00 179.24 179.01 1a6t s PHE 102 N -2.98 0.66 0.21 4.15 0.08 -1.24 -5.06 117.98 113.80 1a6t s PHE 102 Ca 0.01 -0.14 0.11 0.00 0.12 0.00 0.00 56.93 57.03 1a6t s PHE 102 Cb 0.10 -0.49 -0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1a6t s PHE 102 CO 0.79 -0.08 -0.22 -1.58 -0.10 0.00 0.00 175.22 174.03 1a6t s TRP 103 N 0.26 2.22 0.56 0.36 0.52 -1.26 -1.93 118.94 119.67 1a6t s TRP 103 Ca -0.03 -0.37 -0.07 0.00 0.02 0.00 0.00 56.10 55.65 1a6t s TRP 103 Cb -0.07 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1a6t s TRP 103 CO -0.00 0.54 0.89 0.20 0.02 0.00 0.00 176.95 178.60 1a6t s GLY 104 N -2.92 1.57 0.00 0.98 0.00 0.09 -4.44 107.32 102.60 1a6t s GLY 104 Ca 0.23 -0.48 0.14 0.00 0.00 0.00 0.00 44.72 44.60 1a6t s GLY 104 CO 0.11 -0.24 1.41 0.61 0.00 0.00 0.00 173.10 174.99 1a6t n GLN 105 N -2.51 0.07 0.00 2.90 0.00 -1.23 -4.74 117.38 111.86 1a6t n GLN 105 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 57.00 57.26 1a6t n GLN 105 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1a6t n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a6t n GLY 106 N -0.11 0.58 2.84 2.61 0.00 -1.26 -5.01 105.19 104.84 1a6t n GLY 106 Ca 0.04 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 1a6t n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6t s THR 107 N -2.93 0.71 -0.14 2.61 2.01 0.30 -4.81 115.64 113.40 1a6t s THR 107 Ca 0.00 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 1a6t s THR 107 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1a6t s THR 107 CO 0.00 0.31 0.61 -0.55 -0.69 0.00 0.00 174.62 174.30 1a6t s SER 108 N 1.80 6.77 -0.09 3.53 0.15 -1.26 -0.10 113.70 124.49 1a6t s SER 108 Ca 0.04 0.93 0.04 0.00 0.70 0.00 0.00 55.95 57.66 1a6t s SER 108 Cb -0.12 -2.35 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1a6t s SER 108 CO -0.06 -0.15 -0.23 -0.22 1.20 0.00 0.00 173.24 173.77 1a6t s LEU 109 N 1.22 2.05 -0.21 3.45 2.96 -0.47 -1.73 118.68 125.96 1a6t s LEU 109 Ca 0.30 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1a6t s LEU 109 Cb -0.16 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.20 1a6t s LEU 109 CO 0.13 0.16 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.28 1a6t s THR 110 N 0.31 2.38 -0.34 3.68 2.01 0.04 -2.51 115.64 121.21 1a6t s THR 110 Ca -0.17 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.75 1a6t s THR 110 Cb -0.17 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1a6t s THR 110 CO 0.08 0.39 0.16 -0.69 -0.69 0.00 0.00 174.62 173.86 1a6t s VAL 111 N 1.29 4.30 0.06 3.82 1.01 -1.26 -0.75 120.40 128.88 1a6t s VAL 111 Ca 0.02 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 1a6t s VAL 111 Cb -0.15 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.95 1a6t s VAL 111 CO -0.09 -0.13 0.63 -0.55 0.00 0.00 0.00 175.10 174.96 1a6t s SER 112 N 1.52 -0.60 0.03 3.32 0.15 -0.26 -4.53 113.70 113.33 1a6t s SER 112 Ca 0.02 0.32 0.26 0.00 0.70 0.00 0.00 55.95 57.25 1a6t s SER 112 Cb -0.19 0.57 0.74 0.00 -1.71 0.00 0.00 66.02 65.43 1a6t s SER 112 CO 0.05 -0.80 1.59 -1.20 1.20 0.00 0.00 173.24 174.08 1a6t n SER 113 N 0.22 0.38 -4.77 5.45 7.64 -1.26 -4.08 113.62 117.19 1a6t n SER 113 Ca -0.18 0.08 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1a6t n SER 113 Cb 0.61 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1a6t n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a6t s ALA 114 N -3.03 3.44 0.26 -0.43 0.00 -1.26 -5.00 121.76 115.74 1a6t s ALA 114 Ca 0.11 1.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 1a6t s ALA 114 Cb 0.17 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1a6t s ALA 114 CO 0.64 -0.79 0.72 0.15 0.00 0.00 0.00 175.76 176.49 1a6t s LYS 115 N -1.99 4.14 0.53 0.00 -0.14 -1.26 -5.04 119.74 115.97 1a6t s LYS 115 Ca 0.52 0.77 -0.21 0.00 -1.36 0.00 0.00 55.97 55.69 1a6t s LYS 115 Cb -0.41 -2.70 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 1a6t s LYS 115 CO 0.54 0.30 1.19 0.95 -0.76 0.00 0.00 175.35 177.57 1a6t s THR 116 N -1.71 2.86 -0.10 2.17 -4.23 -1.26 -4.70 115.64 108.67 1a6t s THR 116 Ca 0.47 0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 1a6t s THR 116 Cb -0.14 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.47 1a6t s THR 116 CO 0.19 -0.07 0.26 -0.89 -0.54 0.00 0.00 174.62 173.58 1a6t s THR 117 N -1.59 -0.02 0.63 3.99 2.01 -1.26 -4.92 115.64 114.49 1a6t s THR 117 Ca 0.71 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.62 1a6t s THR 117 Cb -0.29 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1a6t s THR 117 CO 0.34 0.02 1.08 -2.16 -0.69 0.00 0.00 174.62 173.21 1a6t s PRO 118 N 0.59 3.05 0.40 4.92 0.04 -1.26 -3.12 135.00 139.62 1a6t s PRO 118 Ca -0.04 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.19 1a6t s PRO 118 Cb -0.05 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1a6t s PRO 118 CO -0.03 -1.03 0.72 -1.25 0.04 0.00 0.00 177.00 175.44 1a6t s PRO 119 N -4.17 3.66 -0.42 0.56 0.05 -1.26 -4.21 135.00 129.20 1a6t s PRO 119 Ca 0.64 0.25 -0.08 0.00 0.05 0.00 0.00 61.00 61.86 1a6t s PRO 119 Cb -0.18 -2.45 0.09 0.00 0.05 0.00 0.00 34.50 32.01 1a6t s PRO 119 CO 0.40 -0.03 0.26 -1.12 0.05 0.00 0.00 177.00 176.56 1a6t s SER 120 N -3.51 5.55 -0.34 6.66 0.01 0.21 -4.93 113.70 117.36 1a6t s SER 120 Ca 0.48 -1.66 -0.22 0.00 1.31 0.00 0.00 55.95 55.87 1a6t s SER 120 Cb -0.10 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1a6t s SER 120 CO 0.36 -0.56 0.69 -0.69 0.41 0.00 0.00 173.24 173.45 1a6t s VAL 121 N 1.36 4.84 -0.14 3.43 1.01 -1.26 -1.92 120.40 127.72 1a6t s VAL 121 Ca 0.04 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 1a6t s VAL 121 Cb -0.23 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1a6t s VAL 121 CO 0.00 -0.30 -0.06 -0.31 0.00 0.00 0.00 175.10 174.44 1a6t s TYR 122 N 2.83 2.97 -0.10 5.22 2.02 0.08 -4.95 117.35 125.43 1a6t s TYR 122 Ca 0.27 -0.31 -0.25 0.00 -0.37 0.00 0.00 57.07 56.41 1a6t s TYR 122 Cb -0.14 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1a6t s TYR 122 CO 0.14 -0.01 0.81 -1.25 -1.57 0.00 0.00 175.55 173.67 1a6t s PRO 123 N 0.18 4.40 -0.78 -1.71 0.04 -1.26 0.14 135.00 136.00 1a6t s PRO 123 Ca -0.03 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1a6t s PRO 123 Cb -0.14 -3.50 0.20 0.00 0.04 0.00 0.00 34.50 31.10 1a6t s PRO 123 CO 0.03 -0.13 0.68 -0.51 0.04 0.00 0.00 177.00 177.12 1a6t s LEU 124 N 1.42 6.22 0.44 -3.56 1.43 -0.41 -4.97 118.68 119.24 1a6t s LEU 124 Ca 0.41 -2.84 -0.11 0.00 -1.03 0.00 0.00 54.13 50.56 1a6t s LEU 124 Cb -0.18 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 1a6t s LEU 124 CO 0.17 -0.48 0.82 0.00 0.23 0.00 0.00 176.35 177.10 1a6t s ALA 125 N -0.06 3.30 0.80 4.21 0.00 -1.26 -2.93 121.76 125.82 1a6t s ALA 125 Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 1a6t s ALA 125 Cb -0.13 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.30 1a6t s ALA 125 CO -0.07 -0.11 1.14 -2.14 0.00 0.00 0.00 175.76 174.58 1a6t s PRO 126 N -4.04 1.81 0.00 0.00 0.02 -1.26 -4.92 135.00 126.61 1a6t s PRO 126 Ca 0.52 1.48 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1a6t s PRO 126 Cb -0.10 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1a6t s PRO 126 CO 0.34 -2.03 0.00 1.55 -0.33 0.00 0.00 177.00 176.53 1a6t n VAL 127 N -3.49 0.00 -3.02 3.83 3.14 -1.26 -4.55 118.33 112.99 1a6t n VAL 127 Ca 0.11 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.32 1a6t n VAL 127 Cb 0.52 -0.28 -0.01 0.00 -1.06 0.00 0.00 33.84 33.00 1a6t n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a6t n GLY 129 N 1.20 1.85 1.16 0.00 0.00 -1.26 -5.02 105.19 103.11 1a6t n GLY 129 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1a6t n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6t n GLY 130 N 0.00 0.00 3.61 -0.02 0.00 -1.26 -4.83 105.19 102.69 1a6t n GLY 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a6t n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6t s THR 131 N -0.80 0.00 -0.09 2.61 2.01 -1.26 -4.90 115.64 113.21 1a6t s THR 131 Ca 0.00 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 1a6t s THR 131 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1a6t s THR 131 CO 0.00 0.00 -0.15 0.41 -0.69 0.00 0.00 174.62 174.19 1a6t n THR 132 N -0.38 0.76 -3.02 -0.82 -1.04 -1.26 -5.14 114.28 103.38 1a6t n THR 132 Ca -0.06 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1a6t n THR 132 Cb 0.62 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1a6t n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a6t n GLY 133 N 1.55 1.24 2.13 3.41 0.00 -1.26 -4.97 105.19 107.30 1a6t n GLY 133 Ca -0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 1a6t n GLY 133 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a6t n SER 134 N -0.10 -3.06 -2.57 1.61 2.88 -1.26 -4.53 113.62 106.59 1a6t n SER 134 Ca 0.00 0.07 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1a6t n SER 134 Cb 0.00 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 61.83 1a6t n SER 134 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a6t n SER 135 N 1.06 -7.14 -2.24 -3.46 7.64 -1.26 -4.67 113.62 103.54 1a6t n SER 135 Ca -0.06 1.03 -0.01 0.00 1.01 0.00 0.00 58.87 60.83 1a6t n SER 135 Cb 0.34 -4.73 -0.01 0.00 -1.01 0.00 0.00 64.21 58.80 1a6t n SER 135 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1a6t n VAL 136 N 0.36 -8.82 -3.37 0.44 0.31 -1.26 -3.69 118.33 102.30 1a6t n VAL 136 Ca 0.03 1.43 -0.29 0.00 -0.01 0.00 0.00 64.34 65.50 1a6t n VAL 136 Cb 0.10 -5.72 -0.04 0.00 -0.91 0.00 0.00 33.84 27.28 1a6t n VAL 136 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1a6t s THR 137 N -0.80 5.01 0.17 2.52 2.01 -1.26 -2.83 115.64 120.46 1a6t s THR 137 Ca -0.07 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1a6t s THR 137 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1a6t s THR 137 CO 0.51 -0.25 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.40 1a6t s LEU 138 N -3.35 2.26 0.34 4.42 1.43 0.14 -4.64 118.68 119.27 1a6t s LEU 138 Ca 0.44 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1a6t s LEU 138 Cb -0.11 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 45.98 1a6t s LEU 138 CO 0.28 -0.50 0.60 -0.83 0.23 0.00 0.00 176.35 176.13 1a6t s GLY 139 N -3.18 0.88 -0.06 -3.19 0.00 -1.15 -0.80 107.32 99.83 1a6t s GLY 139 Ca 0.22 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1a6t s GLY 139 CO 0.03 -0.66 0.13 0.00 0.00 0.00 0.00 173.10 172.60 1a6t s LEU 141 N 1.41 4.71 -0.43 0.00 2.96 0.12 -1.64 118.68 125.80 1a6t s LEU 141 Ca -0.06 -1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 52.20 1a6t s LEU 141 Cb -0.12 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1a6t s LEU 141 CO -0.05 -0.43 0.65 -0.69 -1.32 0.00 0.00 176.35 174.51 1a6t s VAL 142 N 1.34 4.82 0.02 1.68 1.01 0.50 -0.74 120.40 129.03 1a6t s VAL 142 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1a6t s VAL 142 Cb -0.21 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1a6t s VAL 142 CO 0.01 -0.59 -0.06 -1.59 0.00 0.00 0.00 175.10 172.86 1a6t s LYS 143 N 2.85 0.47 0.00 2.72 -2.85 -0.81 -0.34 119.74 121.78 1a6t s LYS 143 Ca 0.23 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 1a6t s LYS 143 Cb -0.14 -0.35 0.00 0.00 -2.06 0.00 0.00 37.83 35.28 1a6t s LYS 143 CO 0.19 0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.13 1a6t n GLY 144 N 2.25 1.01 3.57 0.59 0.00 -0.80 -0.62 105.19 111.19 1a6t n GLY 144 Ca -0.18 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1a6t n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a6t s TYR 145 N -2.19 2.69 -0.23 1.61 1.13 -1.16 -4.50 117.35 114.70 1a6t s TYR 145 Ca 0.00 -0.19 -0.12 0.00 -1.41 0.00 0.00 57.07 55.35 1a6t s TYR 145 Cb 0.00 -1.38 -0.10 0.00 -1.10 0.00 0.00 41.96 39.38 1a6t s TYR 145 CO 0.00 0.45 -0.30 0.34 -2.51 0.00 0.00 175.55 173.53 1a6t n PHE 146 N 0.49 0.00 -1.53 -3.49 7.35 -1.18 0.47 117.46 119.56 1a6t n PHE 146 Ca -0.13 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.16 1a6t n PHE 146 Cb 0.53 -0.83 -0.06 0.00 0.35 0.00 0.00 39.48 39.47 1a6t n PHE 146 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1a6t n PRO 147 N -4.05 0.93 -0.15 -7.13 -0.02 -1.26 -4.71 135.00 118.60 1a6t n PRO 147 Ca -0.45 0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.08 1a6t n PRO 147 Cb 0.82 -2.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1a6t n PRO 147 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1a6t n GLU 148 N 8.76 -0.16 -1.76 -0.52 0.28 -1.26 -4.49 120.64 121.49 1a6t n GLU 148 Ca 0.43 0.61 -0.42 0.00 -0.16 0.00 0.00 57.16 57.62 1a6t n GLU 148 Cb 0.39 -0.90 -0.03 0.00 1.43 0.00 0.00 31.44 32.33 1a6t n GLU 148 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1a6t s PRO 149 N -4.88 4.13 -0.24 3.44 0.04 -1.26 -5.00 135.00 131.24 1a6t s PRO 149 Ca -0.04 2.57 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 1a6t s PRO 149 Cb 0.04 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.59 1a6t s PRO 149 CO 0.22 -0.71 0.55 0.54 0.04 0.00 0.00 177.00 177.65 1a6t s VAL 150 N 0.91 -0.30 -0.21 -0.36 0.11 -1.26 -4.70 120.40 114.58 1a6t s VAL 150 Ca 0.72 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.75 1a6t s VAL 150 Cb -0.49 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1a6t s VAL 150 CO 0.35 0.02 0.07 -0.89 -3.33 0.00 0.00 175.10 171.33 1a6t s THR 151 N 1.97 4.65 -0.14 5.04 2.01 0.07 -4.97 115.64 124.27 1a6t s THR 151 Ca -0.08 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1a6t s THR 151 Cb -0.09 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1a6t s THR 151 CO -0.16 0.40 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.80 1a6t s LEU 152 N 0.94 1.68 0.20 4.42 2.96 -1.26 -0.80 118.68 126.83 1a6t s LEU 152 Ca 0.04 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1a6t s LEU 152 Cb -0.14 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 1a6t s LEU 152 CO 0.03 -0.04 -0.03 0.42 -1.32 0.00 0.00 176.35 175.41 1a6t s THR 153 N 1.39 1.03 -0.10 3.68 -4.23 -0.40 -4.98 115.64 112.04 1a6t s THR 153 Ca 0.03 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1a6t s THR 153 Cb -0.13 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1a6t s THR 153 CO -0.09 -0.46 -0.12 0.26 -0.54 0.00 0.00 174.62 173.67 1a6t s TRP 154 N -3.42 2.80 -1.48 3.99 0.52 -1.26 0.66 118.94 120.75 1a6t s TRP 154 Ca 0.25 -0.37 -0.02 0.00 0.02 0.00 0.00 56.10 55.98 1a6t s TRP 154 Cb 0.05 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1a6t s TRP 154 CO 0.06 0.01 0.36 0.09 0.02 0.00 0.00 176.95 177.48 1a6t n ASN 155 N 2.94 -0.34 -0.61 2.95 3.02 0.51 -0.86 115.26 122.88 1a6t n ASN 155 Ca -0.18 -1.08 -0.07 0.00 -0.03 0.00 0.00 54.58 53.23 1a6t n ASN 155 Cb 0.53 -2.65 -0.03 0.00 -0.61 0.00 0.00 39.78 37.01 1a6t n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a6t n SER 156 N -2.92 -4.55 0.00 6.41 7.64 -1.26 -0.78 113.62 118.15 1a6t n SER 156 Ca -0.27 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1a6t n SER 156 Cb 0.67 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 1a6t n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6t n GLY 157 N 0.33 2.47 0.31 0.23 0.00 -0.04 -4.93 105.19 103.56 1a6t n GLY 157 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.14 1a6t n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a6t h SER 158 N 0.00 0.00 -3.50 1.61 0.02 -1.01 -3.34 113.55 107.32 1a6t h SER 158 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1a6t h SER 158 Cb 0.00 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.20 1a6t h SER 158 CO 0.00 0.02 -0.50 -0.22 -1.14 0.00 0.00 176.83 175.00 1a6t s LEU 159 N -6.49 5.35 -0.00 5.07 2.96 -1.14 -4.89 118.68 119.54 1a6t s LEU 159 Ca -0.03 -2.08 0.03 0.00 -0.22 0.00 0.00 54.13 51.83 1a6t s LEU 159 Cb 0.12 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1a6t s LEU 159 CO 0.49 -0.56 0.09 -1.20 -1.32 0.00 0.00 176.35 173.84 1a6t n SER 160 N 4.56 3.08 -4.82 3.68 7.64 -1.26 -4.31 113.62 122.19 1a6t n SER 160 Ca -0.02 -0.17 -0.38 0.00 1.01 0.00 0.00 58.87 59.31 1a6t n SER 160 Cb 0.41 1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 64.65 1a6t n SER 160 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a6t s SER 161 N -2.04 6.98 -0.68 6.43 0.01 -1.26 -4.04 113.70 119.10 1a6t s SER 161 Ca -0.00 1.18 -0.00 0.00 1.31 0.00 0.00 55.95 58.43 1a6t s SER 161 Cb 0.02 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1a6t s SER 161 CO 0.13 0.27 0.05 0.61 0.41 0.00 0.00 173.24 174.70 1a6t n GLY 162 N 1.65 0.07 3.30 3.44 0.00 -1.26 -4.60 105.19 107.79 1a6t n GLY 162 Ca -0.11 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1a6t n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6t s VAL 163 N -2.48 3.06 -0.27 1.61 1.01 -1.26 0.04 120.40 122.11 1a6t s VAL 163 Ca 0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1a6t s VAL 163 Cb -0.01 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 34.10 1a6t s VAL 163 CO 0.03 0.48 -0.07 -1.00 0.00 0.00 0.00 175.10 174.54 1a6t s HIS 164 N 1.03 3.20 -0.30 5.22 3.76 0.10 -4.98 115.29 123.32 1a6t s HIS 164 Ca -0.01 -2.35 -0.10 0.00 -0.15 0.00 0.00 55.06 52.45 1a6t s HIS 164 Cb -0.15 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 1a6t s HIS 164 CO -0.01 -0.88 0.16 0.99 -0.85 0.00 0.00 174.74 174.15 1a6t s THR 165 N 1.12 4.83 0.33 1.30 2.01 -1.26 -0.29 115.64 123.68 1a6t s THR 165 Ca -0.05 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 1a6t s THR 165 Cb -0.20 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 1a6t s THR 165 CO -0.06 0.14 0.81 -0.36 -0.69 0.00 0.00 174.62 174.45 1a6t s PHE 166 N 1.66 3.43 0.18 4.92 0.08 -0.74 -5.02 117.98 122.49 1a6t s PHE 166 Ca 0.06 1.39 -0.30 0.00 0.12 0.00 0.00 56.93 58.19 1a6t s PHE 166 Cb -0.17 -2.66 -0.09 0.00 -0.57 0.00 0.00 43.02 39.54 1a6t s PHE 166 CO 0.08 0.09 1.36 -2.14 -0.10 0.00 0.00 175.22 174.51 1a6t s PRO 167 N -2.78 4.34 0.28 0.24 0.02 -1.26 -4.52 135.00 131.32 1a6t s PRO 167 Ca 0.54 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 1a6t s PRO 167 Cb -0.12 -3.20 -0.11 0.00 0.02 0.00 0.00 34.50 31.10 1a6t s PRO 167 CO 0.17 -0.35 1.48 0.00 -0.33 0.00 0.00 177.00 177.98 1a6t s ALA 168 N 0.46 3.65 -0.01 -1.55 0.00 -1.26 -4.87 121.76 118.18 1a6t s ALA 168 Ca 0.60 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1a6t s ALA 168 Cb -0.38 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1a6t s ALA 168 CO 0.36 -0.84 0.04 0.08 0.00 0.00 0.00 175.76 175.40 1a6t s VAL 169 N -0.17 4.43 -0.22 0.00 1.01 -0.67 -4.89 120.40 119.89 1a6t s VAL 169 Ca 0.59 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1a6t s VAL 169 Cb -0.44 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1a6t s VAL 169 CO 0.47 0.40 0.10 -0.22 0.00 0.00 0.00 175.10 175.84 1a6t s LEU 170 N -1.54 3.79 -0.52 3.92 2.96 -1.26 -1.83 118.68 124.20 1a6t s LEU 170 Ca 0.20 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1a6t s LEU 170 Cb -0.12 -2.00 0.15 0.00 0.50 0.00 0.00 46.19 44.72 1a6t s LEU 170 CO 0.11 0.07 0.32 -1.58 -1.32 0.00 0.00 176.35 173.95 1a6t s GLN 171 N 0.97 1.71 -0.37 1.98 2.00 -0.61 -4.93 119.66 120.41 1a6t s GLN 171 Ca 0.05 -2.51 -0.21 0.00 -2.00 0.00 0.00 55.36 50.70 1a6t s GLN 171 Cb -0.14 -2.74 0.03 0.00 0.80 0.00 0.00 33.01 30.96 1a6t s GLN 171 CO 0.03 -1.21 0.48 -1.13 -0.50 0.00 0.00 175.29 172.96 1a6t n SER 172 N 2.96 -6.90 -1.62 6.67 3.41 -1.26 -3.80 113.62 113.08 1a6t n SER 172 Ca 0.13 0.38 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 1a6t n SER 172 Cb 0.36 -3.56 -0.02 0.00 -0.26 0.00 0.00 64.21 60.72 1a6t n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6t n GLY 173 N 0.06 0.17 3.62 5.00 0.00 -1.26 -4.99 105.19 107.80 1a6t n GLY 173 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1a6t n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a6t s LEU 174 N -4.21 -0.86 0.24 0.99 1.43 -1.25 -4.67 118.68 110.35 1a6t s LEU 174 Ca 0.00 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.31 1a6t s LEU 174 Cb 0.00 2.17 -0.07 0.00 0.03 0.00 0.00 46.19 48.32 1a6t s LEU 174 CO 0.00 -0.20 0.56 -0.31 0.23 0.00 0.00 176.35 176.63 1a6t s TYR 175 N 1.89 3.42 -0.03 0.29 2.02 0.18 -1.57 117.35 123.55 1a6t s TYR 175 Ca -0.08 0.90 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 1a6t s TYR 175 Cb -0.06 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 1a6t s TYR 175 CO -0.18 0.26 -0.03 0.99 -1.57 0.00 0.00 175.55 175.01 1a6t s THR 176 N -1.83 0.37 0.04 -0.71 2.01 -0.76 -1.90 115.64 112.86 1a6t s THR 176 Ca 0.48 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1a6t s THR 176 Cb -0.11 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1a6t s THR 176 CO 0.21 0.16 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.02 1a6t s LEU 177 N 0.61 2.27 0.13 4.42 0.20 0.54 -1.67 118.68 125.18 1a6t s LEU 177 Ca -0.07 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.18 1a6t s LEU 177 Cb -0.10 -0.05 -0.04 0.00 -0.43 0.00 0.00 46.19 45.56 1a6t s LEU 177 CO -0.01 -0.27 0.01 -0.94 -0.29 0.00 0.00 176.35 174.86 1a6t s SER 178 N -1.67 0.75 -0.16 3.68 1.04 -1.26 -0.37 113.70 115.71 1a6t s SER 178 Ca -0.10 -1.14 -0.11 0.00 0.48 0.00 0.00 55.95 55.08 1a6t s SER 178 Cb -0.08 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.28 1a6t s SER 178 CO -0.01 -0.62 0.39 -0.55 0.98 0.00 0.00 173.24 173.44 1a6t s SER 179 N -3.07 -0.46 0.07 7.02 0.15 -0.65 -1.79 113.70 114.96 1a6t s SER 179 Ca 0.20 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.74 1a6t s SER 179 Cb 0.07 0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 65.10 1a6t s SER 179 CO -0.00 -0.17 -0.07 -0.94 1.20 0.00 0.00 173.24 173.25 1a6t s SER 180 N 0.96 4.57 -0.04 5.45 1.04 0.61 -1.57 113.70 124.71 1a6t s SER 180 Ca -0.06 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1a6t s SER 180 Cb -0.06 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.10 1a6t s SER 180 CO -0.08 0.21 -0.04 0.54 0.98 0.00 0.00 173.24 174.86 1a6t s VAL 181 N -1.16 0.47 -0.32 5.02 0.11 0.02 0.00 120.40 124.55 1a6t s VAL 181 Ca 0.21 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1a6t s VAL 181 Cb -0.11 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1a6t s VAL 181 CO 0.12 0.21 0.13 -0.89 -3.33 0.00 0.00 175.10 171.35 1a6t s THR 182 N 0.99 4.17 0.35 5.04 2.01 0.11 -0.69 115.64 127.62 1a6t s THR 182 Ca -0.10 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1a6t s THR 182 Cb -0.14 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1a6t s THR 182 CO -0.00 -0.05 0.23 0.68 -0.69 0.00 0.00 174.62 174.79 1a6t s VAL 183 N 1.51 3.10 0.27 3.82 -7.23 -1.13 -4.63 120.40 116.11 1a6t s VAL 183 Ca 0.02 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 1a6t s VAL 183 Cb -0.18 -3.06 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 1a6t s VAL 183 CO 0.04 -0.14 1.10 0.42 -0.31 0.00 0.00 175.10 176.21 1a6t s THR 184 N -2.40 3.51 0.06 5.32 -4.23 -1.25 -4.02 115.64 112.63 1a6t s THR 184 Ca 0.41 1.51 0.29 0.00 -1.18 0.00 0.00 61.69 62.72 1a6t s THR 184 Cb -0.03 -3.96 0.29 0.00 1.34 0.00 0.00 72.50 70.13 1a6t s THR 184 CO 0.25 0.36 1.88 0.77 -0.54 0.00 0.00 174.62 177.34 1a6t h SER 185 N 3.90 0.00 1.46 3.99 4.64 -1.87 0.12 113.55 125.79 1a6t h SER 185 Ca -0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 1a6t h SER 185 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1a6t h SER 185 CO 0.67 0.00 -0.51 0.77 -0.87 0.00 0.00 176.83 176.89 1a6t h SER 186 N 0.00 0.00 0.34 4.97 4.64 -1.94 -3.36 113.55 118.20 1a6t h SER 186 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1a6t h SER 186 Cb 0.01 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1a6t h SER 186 CO 0.00 0.51 -1.49 0.74 -0.87 0.00 0.00 176.83 175.72 1a6t h THR 187 N 0.00 1.25 0.00 2.95 2.02 -1.13 -3.41 112.91 114.60 1a6t h THR 187 Ca -0.01 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1a6t h THR 187 Cb 1.38 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.75 1a6t h THR 187 CO 0.07 0.83 0.00 1.87 0.37 0.00 0.00 175.52 178.66 1a6t n TRP 188 N -3.64 0.00 -0.34 3.16 -0.00 -1.17 -1.01 117.44 114.44 1a6t n TRP 188 Ca -0.17 0.00 0.31 0.00 -0.00 0.00 0.00 57.50 57.65 1a6t n TRP 188 Cb 1.08 0.00 0.55 0.00 -0.00 0.00 0.00 31.31 32.94 1a6t n TRP 188 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1a6t n PRO 189 N 0.00 -0.04 0.34 5.87 -0.02 -1.26 0.12 135.00 140.01 1a6t n PRO 189 Ca 0.00 1.15 -0.18 0.00 -2.02 0.00 0.00 63.50 62.46 1a6t n PRO 189 Cb 0.00 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 1a6t n PRO 189 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1a6t h SER 190 N 0.00 -1.01 -2.94 2.55 0.02 -1.79 -3.42 113.55 106.96 1a6t h SER 190 Ca 0.75 0.06 -0.64 0.00 -0.84 0.00 0.00 61.79 61.13 1a6t h SER 190 Cb 2.20 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 64.99 1a6t h SER 190 CO -0.55 -0.61 -0.52 -1.10 -1.14 0.00 0.00 176.83 172.91 1a6t s GLN 191 N -5.99 3.31 0.18 3.45 -1.52 0.33 -5.07 119.66 114.35 1a6t s GLN 191 Ca -0.18 -0.44 -0.31 0.00 -1.95 0.00 0.00 55.36 52.49 1a6t s GLN 191 Cb 0.04 -2.99 -0.10 0.00 -0.22 0.00 0.00 33.01 29.74 1a6t s GLN 191 CO 0.62 0.63 1.52 0.99 -0.25 0.00 0.00 175.29 178.80 1a6t s THR 192 N -1.37 2.68 -0.27 -0.19 2.01 -1.26 -4.53 115.64 112.70 1a6t s THR 192 Ca 0.29 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1a6t s THR 192 Cb -0.13 -3.32 0.07 0.00 0.01 0.00 0.00 72.50 69.13 1a6t s THR 192 CO 0.21 0.05 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.54 1a6t s ILE 193 N 0.85 1.70 -0.03 1.82 -1.09 -1.26 -5.01 121.20 118.18 1a6t s ILE 193 Ca 0.67 -1.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1a6t s ILE 193 Cb -0.43 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 1a6t s ILE 193 CO 0.34 -0.26 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.86 1a6t s THR 194 N 1.28 3.86 -0.22 2.92 2.01 -1.26 -0.43 115.64 123.79 1a6t s THR 194 Ca -0.01 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1a6t s THR 194 Cb -0.19 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1a6t s THR 194 CO -0.09 0.47 0.05 0.00 -0.69 0.00 0.00 174.62 174.36 1a6t s ASN 196 N 1.07 5.66 -0.17 0.00 0.02 0.21 -1.51 114.94 120.22 1a6t s ASN 196 Ca 0.04 0.03 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 1a6t s ASN 196 Cb -0.14 -1.99 0.04 0.00 0.02 0.00 0.00 41.25 39.17 1a6t s ASN 196 CO 0.03 0.10 -0.09 -0.69 0.02 0.00 0.00 177.10 176.47 1a6t s VAL 197 N 0.81 1.38 -0.14 1.60 1.01 -0.22 -1.27 120.40 123.58 1a6t s VAL 197 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1a6t s VAL 197 Cb -0.13 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 1a6t s VAL 197 CO 0.02 0.24 -0.18 0.00 0.00 0.00 0.00 175.10 175.18 1a6t s ALA 198 N 1.53 2.41 -0.51 5.51 0.00 0.02 -0.58 121.76 130.14 1a6t s ALA 198 Ca 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1a6t s ALA 198 Cb -0.15 -1.10 0.14 0.00 0.00 0.00 0.00 23.12 22.01 1a6t s ALA 198 CO -0.09 0.07 0.27 -1.58 0.00 0.00 0.00 175.76 174.44 1a6t s HIS 199 N 0.66 2.75 0.51 0.00 2.46 0.25 -0.75 115.29 121.18 1a6t s HIS 199 Ca -0.09 -2.91 0.15 0.00 0.47 0.00 0.00 55.06 52.68 1a6t s HIS 199 Cb -0.16 -2.45 1.24 0.00 -0.13 0.00 0.00 32.58 31.08 1a6t s HIS 199 CO 0.02 -0.74 2.14 -1.35 -2.47 0.00 0.00 174.74 172.34 1a6t h PRO 200 N 6.47 0.04 -0.69 2.88 0.11 -1.84 -1.99 132.00 136.98 1a6t h PRO 200 Ca -0.03 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.15 1a6t h PRO 200 Cb 0.89 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 1a6t h PRO 200 CO 0.61 0.03 0.37 0.00 -0.21 0.00 0.00 178.00 178.80 1a6t h ALA 201 N 1.98 0.93 -0.70 -0.75 0.00 -1.93 -1.45 119.26 117.34 1a6t h ALA 201 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a6t h ALA 201 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a6t h ALA 201 CO -0.00 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1a6t n SER 202 N -4.80 4.40 -2.83 0.00 3.41 -1.01 -4.94 113.62 107.83 1a6t n SER 202 Ca 0.09 -2.23 -0.22 0.00 -0.26 0.00 0.00 58.87 56.25 1a6t n SER 202 Cb 0.20 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1a6t n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a6t n SER 203 N 1.40 -6.03 -4.56 4.04 7.64 -0.55 -4.91 113.62 110.65 1a6t n SER 203 Ca 0.25 -0.20 -0.32 0.00 1.01 0.00 0.00 58.87 59.61 1a6t n SER 203 Cb 0.77 -4.92 -0.11 0.00 -1.01 0.00 0.00 64.21 58.94 1a6t n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a6t s THR 204 N -3.13 3.42 -0.17 0.44 -4.23 -0.78 -5.00 115.64 106.18 1a6t s THR 204 Ca 0.21 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1a6t s THR 204 Cb -0.09 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.34 1a6t s THR 204 CO 0.26 0.38 0.16 -0.75 -0.54 0.00 0.00 174.62 174.13 1a6t s LYS 205 N -1.42 0.11 0.10 3.99 2.36 -1.26 -0.58 119.74 123.05 1a6t s LYS 205 Ca 0.16 0.16 0.08 0.00 -2.55 0.00 0.00 55.97 53.83 1a6t s LYS 205 Cb -0.11 -1.27 -0.04 0.00 -1.05 0.00 0.00 37.83 35.36 1a6t s LYS 205 CO 0.07 -0.60 -0.15 0.08 1.55 0.00 0.00 175.35 176.30 1a6t s VAL 206 N 2.25 3.01 -0.34 4.02 1.01 0.26 -4.99 120.40 125.62 1a6t s VAL 206 Ca 0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1a6t s VAL 206 Cb -0.15 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 33.97 1a6t s VAL 206 CO -0.10 0.14 0.16 -1.81 0.00 0.00 0.00 175.10 173.50 1a6t s ASP 207 N -2.05 3.60 -0.40 3.32 1.01 -1.26 -1.05 116.67 119.85 1a6t s ASP 207 Ca 0.18 -1.91 -0.14 0.00 0.71 0.00 0.00 52.55 51.40 1a6t s ASP 207 Cb -0.11 -0.69 0.02 0.00 1.01 0.00 0.00 42.92 43.16 1a6t s ASP 207 CO 0.10 -0.36 0.27 -0.75 0.21 0.00 0.00 175.17 174.64 1a6t s LYS 208 N 1.32 2.95 0.15 8.23 2.47 -0.57 -4.92 119.74 129.36 1a6t s LYS 208 Ca 0.13 -1.02 -0.30 0.00 -1.56 0.00 0.00 55.97 53.22 1a6t s LYS 208 Cb -0.20 -3.89 -0.07 0.00 -1.46 0.00 0.00 37.83 32.21 1a6t s LYS 208 CO -0.16 -0.72 0.96 0.21 0.16 0.00 0.00 175.35 175.80 1a6t s LYS 209 N 1.64 4.73 -0.38 4.03 2.20 -1.26 -0.62 119.74 130.08 1a6t s LYS 209 Ca 0.04 1.47 -0.23 0.00 -0.36 0.00 0.00 55.97 56.90 1a6t s LYS 209 Cb -0.19 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1a6t s LYS 209 CO 0.09 0.28 0.75 0.42 -0.36 0.00 0.00 175.35 176.53 1a6t s ILE 210 N -0.30 4.75 0.30 5.43 -1.09 0.43 -4.96 121.20 125.76 1a6t s ILE 210 Ca 0.46 0.73 0.08 0.00 -2.23 0.00 0.00 60.65 59.68 1a6t s ILE 210 Cb -0.24 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1a6t s ILE 210 CO 0.31 -0.46 0.18 -1.61 -1.23 0.00 0.00 174.94 172.13 1a6t s GLU 211 N 3.04 2.63 0.75 2.79 0.41 -1.26 -4.64 118.70 122.41 1a6t s GLU 211 Ca 0.29 -1.31 -0.11 0.00 -0.41 0.00 0.00 54.97 53.43 1a6t s GLU 211 Cb -0.13 -2.38 0.04 0.00 -1.78 0.00 0.00 34.13 29.88 1a6t s GLU 211 CO 0.17 0.22 1.08 -2.14 -0.49 0.00 0.00 175.26 174.10 1a6t s PRO 212 N -3.87 2.50 0.00 0.39 0.02 -1.26 -4.63 135.00 128.15 1a6t s PRO 212 Ca 0.37 0.89 0.07 0.00 0.02 0.00 0.00 61.00 62.34 1a6t s PRO 212 Cb -0.06 -1.95 0.39 0.00 0.02 0.00 0.00 34.50 32.91 1a6t s PRO 212 CO 0.24 -1.39 0.85 0.54 -0.33 0.00 0.00 177.00 176.91