#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ai6 s ALA 2 N 0.00 -0.32 0.12 -5.12 0.00 -1.26 -5.19 121.76 109.99 2ai6 s ALA 2 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2ai6 s ALA 2 Cb 0.00 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2ai6 s ALA 2 CO 0.00 -0.70 0.30 0.54 0.00 0.00 0.00 175.76 175.90 2ai6 s VAL 3 N -3.93 0.10 0.31 0.00 0.11 -1.26 -4.92 120.40 110.81 2ai6 s VAL 3 Ca 0.14 -1.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2ai6 s VAL 3 Cb 0.02 -1.42 -0.00 0.00 -1.53 0.00 0.00 36.38 33.44 2ai6 s VAL 3 CO -0.01 -0.44 0.43 0.00 -3.33 0.00 0.00 175.10 171.75 2ai6 s ALA 4 N -3.87 0.73 0.05 1.54 0.00 -1.26 -5.00 121.76 113.95 2ai6 s ALA 4 Ca 0.07 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.42 2ai6 s ALA 4 Cb 0.03 1.19 0.02 0.00 0.00 0.00 0.00 23.12 24.36 2ai6 s ALA 4 CO -0.08 -0.77 0.31 0.34 0.00 0.00 0.00 175.76 175.55 2ai6 s ASP 5 N -3.21 -0.12 0.45 0.00 2.15 -1.26 -4.36 116.67 110.32 2ai6 s ASP 5 Ca 0.31 -0.24 0.23 0.00 0.43 0.00 0.00 52.55 53.28 2ai6 s ASP 5 Cb 0.00 0.37 1.22 0.00 -0.30 0.00 0.00 42.92 44.22 2ai6 s ASP 5 CO 0.18 -0.65 1.82 -0.07 -0.17 0.00 0.00 175.17 176.29 2ai6 h LEU 6 N 3.10 0.30 -2.08 -1.34 3.38 -1.98 -1.23 115.31 115.45 2ai6 h LEU 6 Ca -0.32 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2ai6 h LEU 6 Cb 1.20 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ai6 h LEU 6 CO 0.47 0.08 -0.08 0.00 0.09 0.00 0.00 178.44 179.00 2ai6 h ALA 7 N 1.58 1.26 0.00 1.53 0.00 -2.04 -2.21 119.26 119.37 2ai6 h ALA 7 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2ai6 h ALA 7 Cb 1.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2ai6 h ALA 7 CO -0.17 0.10 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 2ai6 h LEU 8 N 0.00 0.00 -9.66 0.00 3.38 -1.65 -3.46 115.31 103.92 2ai6 h LEU 8 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2ai6 h LEU 8 Cb 0.27 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.06 2ai6 h LEU 8 CO 0.01 0.00 0.73 -0.63 0.09 0.00 0.00 178.44 178.64 2ai6 s ILE 9 N -3.29 2.98 -0.26 1.22 1.01 -0.83 -4.93 121.20 117.10 2ai6 s ILE 9 Ca 0.06 0.77 -0.32 0.00 0.00 0.00 0.00 60.65 61.16 2ai6 s ILE 9 Cb 0.06 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 2ai6 s ILE 9 CO 0.64 0.10 2.17 -2.65 0.00 0.00 0.00 174.94 175.20 2ai6 n PRO 10 N 3.01 1.58 0.06 2.79 -0.02 -1.26 -4.87 135.00 136.29 2ai6 n PRO 10 Ca 0.09 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 2ai6 n PRO 10 Cb 0.41 -2.80 0.02 0.00 -0.02 0.00 0.00 33.50 31.11 2ai6 n PRO 10 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ai6 h ASP 11 N 13.10 0.46 -3.67 2.55 3.58 -1.94 -3.44 116.42 127.07 2ai6 h ASP 11 Ca -0.35 -0.32 -0.32 0.00 0.42 0.00 0.00 57.03 56.46 2ai6 h ASP 11 Cb 1.28 -0.14 -0.31 0.00 1.72 0.00 0.00 39.33 41.88 2ai6 h ASP 11 CO 0.99 1.07 -0.75 -0.69 -2.88 0.00 0.00 179.24 176.98 2ai6 s VAL 12 N -3.54 0.25 -0.28 2.25 1.01 -1.26 -2.78 120.40 116.04 2ai6 s VAL 12 Ca -0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2ai6 s VAL 12 Cb 0.10 -0.27 0.13 0.00 0.00 0.00 0.00 36.38 36.34 2ai6 s VAL 12 CO 0.84 0.11 0.58 -0.62 0.00 0.00 0.00 175.10 176.02 2ai6 s ASP 13 N 0.45 -0.93 0.04 3.32 2.15 -1.10 -5.03 116.67 115.57 2ai6 s ASP 13 Ca -0.04 1.29 -0.03 0.00 0.43 0.00 0.00 52.55 54.20 2ai6 s ASP 13 Cb -0.07 2.03 -0.02 0.00 -0.30 0.00 0.00 42.92 44.56 2ai6 s ASP 13 CO -0.01 -0.23 0.04 0.27 -0.17 0.00 0.00 175.17 175.07 2ai6 s ILE 14 N 2.82 0.14 0.37 4.11 -4.36 -1.26 -3.65 121.20 119.37 2ai6 s ILE 14 Ca -0.00 -1.19 -0.28 0.00 -0.26 0.00 0.00 60.65 58.92 2ai6 s ILE 14 Cb -0.13 -0.86 -0.10 0.00 1.25 0.00 0.00 42.46 42.62 2ai6 s ILE 14 CO -0.18 -0.65 1.38 -0.62 0.24 0.00 0.00 174.94 175.11 2ai6 s ASP 15 N -2.11 6.47 0.25 4.36 -1.08 -0.53 -4.95 116.67 119.08 2ai6 s ASP 15 Ca -0.05 2.84 0.25 0.00 -0.52 0.00 0.00 52.55 55.06 2ai6 s ASP 15 Cb -0.02 -2.66 0.54 0.00 -1.46 0.00 0.00 42.92 39.33 2ai6 s ASP 15 CO -0.05 -0.76 1.60 0.28 0.52 0.00 0.00 175.17 176.76 2ai6 h SER 16 N 3.05 0.00 -1.10 -0.34 0.02 -1.98 -3.44 113.55 109.76 2ai6 h SER 16 Ca -0.50 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.42 2ai6 h SER 16 Cb 1.24 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.56 2ai6 h SER 16 CO 0.64 0.02 -0.39 -0.62 -1.14 0.00 0.00 176.83 175.34 2ai6 s ASP 17 N -4.98 -1.34 0.00 3.07 2.15 -1.26 -5.06 116.67 109.25 2ai6 s ASP 17 Ca 0.08 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.25 2ai6 s ASP 17 Cb 0.10 1.92 0.00 0.00 -0.30 0.00 0.00 42.92 44.65 2ai6 s ASP 17 CO 0.65 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.96 2ai6 n GLY 18 N 5.41 -1.71 3.20 2.66 0.00 -1.26 -5.02 105.19 108.48 2ai6 n GLY 18 Ca 0.04 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2ai6 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ai6 s VAL 19 N -2.76 2.21 0.26 1.61 1.01 -1.26 -4.37 120.40 117.10 2ai6 s VAL 19 Ca 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2ai6 s VAL 19 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2ai6 s VAL 19 CO 0.00 0.54 0.62 0.72 0.00 0.00 0.00 175.10 176.99 2ai6 s PHE 20 N 0.74 -0.02 0.37 5.22 -0.12 -0.52 -4.80 117.98 118.85 2ai6 s PHE 20 Ca -0.08 -0.40 -0.01 0.00 -0.05 0.00 0.00 56.93 56.39 2ai6 s PHE 20 Cb -0.16 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 2ai6 s PHE 20 CO 0.00 -1.13 0.59 0.15 -0.05 0.00 0.00 175.22 174.79 2ai6 s LYS 21 N -3.94 3.51 0.17 1.99 1.02 -1.26 -0.54 119.74 120.69 2ai6 s LYS 21 Ca 0.14 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.93 2ai6 s LYS 21 Cb -0.04 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2ai6 s LYS 21 CO 0.06 0.08 0.06 -0.47 -0.92 0.00 0.00 175.35 174.17 2ai6 s TYR 22 N -2.38 1.11 0.05 3.18 6.14 0.07 -2.75 117.35 122.76 2ai6 s TYR 22 Ca 0.42 -1.19 -0.08 0.00 0.64 0.00 0.00 57.07 56.86 2ai6 s TYR 22 Cb -0.10 -0.62 -0.00 0.00 0.42 0.00 0.00 41.96 41.66 2ai6 s TYR 22 CO 0.37 -0.42 0.16 0.54 0.64 0.00 0.00 175.55 176.84 2ai6 s VAL 23 N -3.91 0.13 -0.16 3.14 0.11 -0.31 -2.32 120.40 117.08 2ai6 s VAL 23 Ca 0.28 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2ai6 s VAL 23 Cb 0.07 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2ai6 s VAL 23 CO 0.06 -0.59 -0.18 -0.22 -3.33 0.00 0.00 175.10 170.84 2ai6 s LEU 24 N -2.37 1.93 -0.05 2.54 0.20 -0.58 -2.19 118.68 118.16 2ai6 s LEU 24 Ca -0.01 -0.57 0.06 0.00 0.69 0.00 0.00 54.13 54.30 2ai6 s LEU 24 Cb 0.01 -1.33 -0.01 0.00 -0.43 0.00 0.00 46.19 44.43 2ai6 s LEU 24 CO -0.07 -0.01 -0.24 0.27 -0.29 0.00 0.00 176.35 176.01 2ai6 s ILE 25 N 1.28 1.97 0.39 6.68 -4.36 -0.75 -0.71 121.20 125.70 2ai6 s ILE 25 Ca 0.03 -1.03 -0.17 0.00 -0.26 0.00 0.00 60.65 59.22 2ai6 s ILE 25 Cb -0.13 -1.67 -0.09 0.00 1.25 0.00 0.00 42.46 41.81 2ai6 s ILE 25 CO -0.10 0.55 0.84 -0.60 0.24 0.00 0.00 174.94 175.87 2ai6 s ARG 26 N -0.19 4.05 -0.00 0.37 3.52 0.45 -0.67 118.95 126.48 2ai6 s ARG 26 Ca -0.02 0.84 0.01 0.00 -0.13 0.00 0.00 55.73 56.43 2ai6 s ARG 26 Cb -0.13 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2ai6 s ARG 26 CO 0.03 0.03 -0.04 0.08 -0.81 0.00 0.00 175.30 174.59 2ai6 s VAL 27 N -2.16 0.28 0.06 7.11 1.01 0.67 -2.10 120.40 125.26 2ai6 s VAL 27 Ca 0.57 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2ai6 s VAL 27 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2ai6 s VAL 27 CO 0.19 0.04 -0.12 -1.00 0.00 0.00 0.00 175.10 174.21 2ai6 s HIS 28 N -0.17 2.73 -0.71 5.22 3.76 -0.19 -1.21 115.29 124.72 2ai6 s HIS 28 Ca 0.00 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.50 2ai6 s HIS 28 Cb -0.02 -1.49 -0.06 0.00 1.11 0.00 0.00 32.58 32.12 2ai6 s HIS 28 CO -0.00 0.36 2.07 -1.12 -0.85 0.00 0.00 174.74 175.20 2ai6 s SER 29 N -1.75 4.86 0.00 1.40 0.01 0.08 -3.83 113.70 114.49 2ai6 s SER 29 Ca 0.18 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2ai6 s SER 29 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2ai6 s SER 29 CO 0.09 -2.81 0.51 0.00 0.41 0.00 0.00 173.24 171.44 2ai6 n ALA 30 N 14.62 1.18 -1.50 1.44 0.00 -1.26 -4.51 120.51 130.47 2ai6 n ALA 30 Ca 0.33 -0.50 -0.49 0.00 0.00 0.00 0.00 53.44 52.79 2ai6 n ALA 30 Cb 0.50 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2ai6 n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ai6 n PRO 31 N 0.00 0.58 -1.49 0.00 -0.02 -1.26 -1.19 135.00 131.62 2ai6 n PRO 31 Ca 0.00 0.21 -0.08 0.00 -2.02 0.00 0.00 63.50 61.61 2ai6 n PRO 31 Cb 0.53 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 2ai6 n PRO 31 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ai6 n ARG 32 N 1.23 -1.45 -2.63 -0.52 5.12 0.48 -1.45 116.66 117.44 2ai6 n ARG 32 Ca 0.16 0.46 -0.13 0.00 -1.93 0.00 0.00 57.85 56.40 2ai6 n ARG 32 Cb 0.24 -4.69 -0.00 0.00 -1.16 0.00 0.00 32.46 26.84 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ai6 n SER 33 N -0.28 -3.65 0.00 0.55 7.64 -0.34 -4.78 113.62 112.77 2ai6 n SER 33 Ca -0.08 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2ai6 n SER 33 Cb 0.33 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 2ai6 n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ai6 n GLY 34 N -0.86 -0.24 3.63 0.23 0.00 -0.53 -5.11 105.19 102.31 2ai6 n GLY 34 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2ai6 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 n ALA 35 N 0.00 0.39 1.38 4.61 0.00 -0.89 -4.91 120.51 121.09 2ai6 n ALA 35 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2ai6 n ALA 35 Cb 0.39 -2.14 0.69 0.00 0.00 0.00 0.00 19.45 18.40 2ai6 n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ai6 n PRO 36 N -0.65 0.55 -3.10 0.00 -0.04 -1.26 -4.89 135.00 125.61 2ai6 n PRO 36 Ca 0.12 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 2ai6 n PRO 36 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2ai6 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ai6 n ALA 37 N -1.17 -0.34 -2.34 0.55 0.00 -1.26 -5.07 120.51 110.87 2ai6 n ALA 37 Ca 0.15 -1.03 -0.07 0.00 0.00 0.00 0.00 53.44 52.49 2ai6 n ALA 37 Cb 0.16 0.83 0.06 0.00 0.00 0.00 0.00 19.45 20.49 2ai6 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ai6 n ALA 38 N -1.49 3.52 -1.13 0.00 0.00 -1.26 -4.67 120.51 115.49 2ai6 n ALA 38 Ca -0.09 -3.12 -0.29 0.00 0.00 0.00 0.00 53.44 49.94 2ai6 n ALA 38 Cb 0.38 -0.60 0.18 0.00 0.00 0.00 0.00 19.45 19.42 2ai6 n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ai6 s GLU 39 N -3.08 0.38 0.05 0.00 2.02 -1.26 -4.69 118.70 112.11 2ai6 s GLU 39 Ca 0.38 0.56 -0.00 0.00 0.02 0.00 0.00 54.97 55.92 2ai6 s GLU 39 Cb 0.37 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.83 2ai6 s GLU 39 CO -0.04 -2.77 -0.04 -1.12 0.02 0.00 0.00 175.26 171.31 2ai6 s SER 40 N -3.39 0.55 0.19 -0.19 0.01 -1.26 -0.74 113.70 108.87 2ai6 s SER 40 Ca 0.65 -0.87 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 2ai6 s SER 40 Cb -0.19 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.20 2ai6 s SER 40 CO 0.58 -0.50 0.41 -1.59 0.41 0.00 0.00 173.24 172.55 2ai6 s LYS 41 N -3.26 1.31 0.18 12.44 0.00 -0.35 -5.00 119.74 125.07 2ai6 s LYS 41 Ca 0.02 -1.07 0.08 0.00 0.00 0.00 0.00 55.97 55.00 2ai6 s LYS 41 Cb 0.03 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2ai6 s LYS 41 CO -0.07 -0.53 -0.05 -1.21 0.00 0.00 0.00 175.35 173.50 2ai6 s GLU 42 N -3.94 2.22 0.09 1.78 8.01 -1.26 -0.24 118.70 125.35 2ai6 s GLU 42 Ca 0.15 -1.22 0.02 0.00 0.01 0.00 0.00 54.97 53.94 2ai6 s GLU 42 Cb 0.01 -2.24 -0.04 0.00 -4.31 0.00 0.00 34.13 27.56 2ai6 s GLU 42 CO 0.01 0.44 -0.08 0.96 0.01 0.00 0.00 175.26 176.60 2ai6 s ILE 43 N -1.77 0.71 -0.15 -1.63 -4.36 0.15 -4.96 121.20 109.20 2ai6 s ILE 43 Ca 0.26 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 2ai6 s ILE 43 Cb -0.09 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.26 2ai6 s ILE 43 CO 0.17 -0.70 -0.21 -0.69 0.24 0.00 0.00 174.94 173.75 2ai6 s VAL 44 N -2.87 2.08 0.05 8.37 1.01 -1.12 -1.80 120.40 126.12 2ai6 s VAL 44 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2ai6 s VAL 44 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2ai6 s VAL 44 CO -0.03 0.55 -0.09 -0.13 0.00 0.00 0.00 175.10 175.40 2ai6 s ARG 45 N 0.89 0.61 0.00 2.72 1.81 -0.93 -2.69 118.95 121.35 2ai6 s ARG 45 Ca -0.05 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 2ai6 s ARG 45 Cb -0.15 -0.43 0.00 0.00 -0.45 0.00 0.00 34.95 33.92 2ai6 s ARG 45 CO -0.04 0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 2ai6 n GLY 46 N 1.39 1.44 3.37 -3.53 0.00 -1.24 -1.16 105.19 105.46 2ai6 n GLY 46 Ca -0.22 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2ai6 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ai6 s TYR 47 N -0.16 -0.39 0.42 1.61 1.51 -1.11 -1.45 117.35 117.77 2ai6 s TYR 47 Ca 0.00 0.59 0.38 0.00 -1.01 0.00 0.00 57.07 57.03 2ai6 s TYR 47 Cb 0.00 0.25 1.91 0.00 -0.11 0.00 0.00 41.96 44.01 2ai6 s TYR 47 CO 0.00 -0.52 2.19 1.57 -1.11 0.00 0.00 175.55 177.68 2ai6 h LYS 48 N 3.31 0.00 0.00 -0.62 2.10 -1.87 -1.46 116.57 118.03 2ai6 h LYS 48 Ca -0.29 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.30 2ai6 h LYS 48 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 2ai6 h LYS 48 CO 0.40 0.01 -0.30 0.11 -2.00 0.00 0.00 179.45 177.68 2ai6 h TRP 49 N 0.00 0.00 -1.80 0.07 5.08 -1.97 -3.36 115.95 113.97 2ai6 h TRP 49 Ca -0.00 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.31 2ai6 h TRP 49 Cb 0.24 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.26 2ai6 h TRP 49 CO 0.00 0.30 1.21 0.00 -1.28 0.00 0.00 178.44 178.67 2ai6 s ALA 50 N -3.84 3.16 -1.15 0.11 0.00 -0.55 -4.82 121.76 114.67 2ai6 s ALA 50 Ca -0.01 -2.63 0.11 0.00 0.00 0.00 0.00 51.96 49.43 2ai6 s ALA 50 Cb 0.12 -4.27 0.49 0.00 0.00 0.00 0.00 23.12 19.46 2ai6 s ALA 50 CO 0.66 -3.23 1.31 0.39 0.00 0.00 0.00 175.76 174.90 2ai6 n GLU 51 N 7.47 0.06 -3.79 0.00 1.02 -1.26 -4.27 120.64 119.87 2ai6 n GLU 51 Ca 0.30 0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2ai6 n GLU 51 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ai6 s TYR 52 N -2.85 -0.19 0.45 -0.32 1.13 -1.26 -4.99 117.35 109.32 2ai6 s TYR 52 Ca 0.07 0.40 0.12 0.00 -1.41 0.00 0.00 57.07 56.25 2ai6 s TYR 52 Cb 0.07 0.07 1.02 0.00 -1.10 0.00 0.00 41.96 42.02 2ai6 s TYR 52 CO 0.19 -0.27 2.06 0.45 -2.51 0.00 0.00 175.55 175.47 2ai6 h HIS 53 N 4.74 0.23 0.00 -3.49 3.86 -1.88 -0.98 115.15 117.63 2ai6 h HIS 53 Ca -0.28 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 2ai6 h HIS 53 Cb 1.19 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 2ai6 h HIS 53 CO 0.48 0.19 -0.08 0.00 0.86 0.00 0.00 177.93 179.39 2ai6 h ALA 54 N 1.83 1.47 -0.03 2.45 0.00 -1.97 -1.54 119.26 121.47 2ai6 h ALA 54 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ai6 h ALA 54 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ai6 h ALA 54 CO -0.01 0.10 -0.01 0.22 0.00 0.00 0.00 179.25 179.55 2ai6 h ASP 55 N 0.00 0.06 -0.60 0.00 3.58 -1.56 -0.35 116.42 117.55 2ai6 h ASP 55 Ca -0.00 -0.40 -0.10 0.00 0.42 0.00 0.00 57.03 56.95 2ai6 h ASP 55 Cb 0.20 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2ai6 h ASP 55 CO 0.01 0.45 -0.00 0.16 -2.88 0.00 0.00 179.24 176.98 2ai6 h ILE 56 N -0.32 1.27 -0.05 2.25 3.07 -1.62 -1.03 117.51 121.08 2ai6 h ILE 56 Ca 0.01 -1.16 -0.00 0.00 1.55 0.00 0.00 64.86 65.26 2ai6 h ILE 56 Cb 0.42 0.80 -0.00 0.00 -0.27 0.00 0.00 36.82 37.77 2ai6 h ILE 56 CO 0.00 0.42 0.02 0.22 -1.05 0.00 0.00 178.15 177.77 2ai6 h TYR 57 N 0.98 0.06 -0.43 0.16 3.20 -1.23 -0.10 116.97 119.62 2ai6 h TYR 57 Ca 0.17 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 2ai6 h TYR 57 Cb 0.57 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2ai6 h TYR 57 CO 0.04 0.14 0.19 0.22 -1.64 0.00 0.00 178.16 177.11 2ai6 h ASP 58 N -0.03 0.58 0.14 -2.11 3.58 -0.95 0.10 116.42 117.73 2ai6 h ASP 58 Ca 0.02 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2ai6 h ASP 58 Cb 0.10 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 2ai6 h ASP 58 CO -0.00 0.57 -0.09 0.50 -2.88 0.00 0.00 179.24 177.33 2ai6 h LYS 59 N 0.55 -0.22 0.20 0.28 3.64 -1.12 -1.40 116.57 118.49 2ai6 h LYS 59 Ca 0.15 0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.21 2ai6 h LYS 59 Cb 0.16 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2ai6 h LYS 59 CO -0.02 -0.15 -1.53 0.28 -2.27 0.00 0.00 179.45 175.77 2ai6 h VAL 60 N -0.23 1.20 -0.16 2.00 2.07 -0.85 -1.39 116.25 118.89 2ai6 h VAL 60 Ca -0.01 -2.72 -0.02 0.00 0.82 0.00 0.00 66.70 64.78 2ai6 h VAL 60 Cb 0.19 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2ai6 h VAL 60 CO 0.01 0.84 0.03 0.77 0.02 0.00 0.00 177.57 179.24 2ai6 h SER 61 N 0.12 0.20 0.10 0.57 4.64 -0.88 0.84 113.55 119.13 2ai6 h SER 61 Ca -0.26 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2ai6 h SER 61 Cb 2.10 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 2ai6 h SER 61 CO 0.22 0.22 -0.05 1.23 -0.87 0.00 0.00 176.83 177.58 2ai6 h GLY 62 N 0.40 -0.14 0.96 -0.77 0.00 -1.04 -0.42 103.07 102.07 2ai6 h GLY 62 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2ai6 h GLY 62 CO -0.00 -0.05 0.20 -1.80 0.00 0.00 0.00 176.54 174.89 2ai6 h ASP 63 N -0.22 0.65 -0.48 0.19 3.58 -0.63 0.17 116.42 119.67 2ai6 h ASP 63 Ca -0.01 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.29 2ai6 h ASP 63 Cb 0.18 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2ai6 h ASP 63 CO 0.02 0.63 0.30 0.24 -2.88 0.00 0.00 179.24 177.56 2ai6 h MET 64 N 0.63 0.59 -0.20 0.28 2.86 -0.83 0.27 114.93 118.53 2ai6 h MET 64 Ca 0.16 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2ai6 h MET 64 Cb 0.18 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2ai6 h MET 64 CO -0.01 0.39 -0.16 1.96 1.06 0.00 0.00 176.91 180.15 2ai6 h GLN 65 N 0.61 0.34 -0.70 1.72 4.20 -0.77 0.11 115.11 120.63 2ai6 h GLN 65 Ca 0.19 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 2ai6 h GLN 65 Cb -0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2ai6 h GLN 65 CO -0.07 0.50 0.17 -0.22 -0.67 0.00 0.00 178.83 178.54 2ai6 h LYS 66 N 0.32 1.11 -0.16 1.46 3.64 -0.26 -1.73 116.57 120.95 2ai6 h LYS 66 Ca 0.06 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 2ai6 h LYS 66 Cb 0.48 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2ai6 h LYS 66 CO 0.03 0.98 -0.11 1.96 -2.27 0.00 0.00 179.45 180.04 2ai6 h GLN 67 N 1.05 0.25 0.00 1.90 4.20 -0.19 -3.47 115.11 118.86 2ai6 h GLN 67 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2ai6 h GLN 67 Cb 0.37 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2ai6 h GLN 67 CO 0.00 0.37 0.00 0.41 -0.67 0.00 0.00 178.83 178.94 2ai6 n GLY 68 N -0.91 0.51 3.49 3.46 0.00 0.17 -0.39 105.19 111.52 2ai6 n GLY 68 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2ai6 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 s ASP 70 N -3.78 1.43 0.19 0.00 2.15 -1.25 -4.11 116.67 111.30 2ai6 s ASP 70 Ca 0.71 -0.33 -0.08 0.00 0.43 0.00 0.00 52.55 53.27 2ai6 s ASP 70 Cb -0.09 -0.12 -0.01 0.00 -0.30 0.00 0.00 42.92 42.40 2ai6 s ASP 70 CO 0.56 0.07 0.30 0.00 -0.17 0.00 0.00 175.17 175.93 2ai6 s GLU 72 N -4.02 0.49 -0.25 0.00 0.41 -0.89 -4.99 118.70 109.46 2ai6 s GLU 72 Ca 0.23 0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 55.27 2ai6 s GLU 72 Cb 0.03 0.12 -0.01 0.00 -1.78 0.00 0.00 34.13 32.49 2ai6 s GLU 72 CO 0.05 -0.12 1.40 0.00 -0.49 0.00 0.00 175.26 176.10 2ai6 h LEU 74 N 10.93 0.00 0.00 0.00 3.38 -1.28 -3.48 115.31 124.87 2ai6 h LEU 74 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ai6 h LEU 74 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2ai6 h LEU 74 CO 1.01 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.49 2ai6 n GLY 75 N 0.45 -1.38 0.00 0.83 0.00 -1.23 -4.75 105.19 99.12 2ai6 n GLY 75 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2ai6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 76 N -0.05 2.58 0.00 -0.02 0.00 -0.47 -1.52 105.19 105.72 2ai6 n GLY 76 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2ai6 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 77 N 0.00 -0.61 3.06 -0.02 0.00 -0.98 -1.44 105.19 105.20 2ai6 n GLY 77 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2ai6 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ai6 s ARG 78 N -0.66 0.54 -0.02 1.61 3.52 0.41 -0.75 118.95 123.60 2ai6 s ARG 78 Ca 0.00 -0.96 0.02 0.00 -0.13 0.00 0.00 55.73 54.66 2ai6 s ARG 78 Cb 0.00 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 2ai6 s ARG 78 CO 0.00 -0.05 -0.07 0.42 -0.81 0.00 0.00 175.30 174.79 2ai6 s ILE 79 N -2.63 0.62 0.14 4.11 1.01 0.30 -1.01 121.20 123.75 2ai6 s ILE 79 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 2ai6 s ILE 79 Cb -0.01 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 2ai6 s ILE 79 CO -0.04 0.20 0.21 -0.44 0.00 0.00 0.00 174.94 174.87 2ai6 s SER 80 N 0.16 0.12 -0.04 3.58 0.01 -0.73 -1.44 113.70 115.36 2ai6 s SER 80 Ca -0.02 -0.92 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 2ai6 s SER 80 Cb -0.07 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.58 2ai6 s SER 80 CO 0.00 -0.83 0.39 -1.38 0.41 0.00 0.00 173.24 171.83 2ai6 s HIS 81 N -3.97 -0.30 -0.12 2.43 -3.43 -1.26 -0.70 115.29 107.93 2ai6 s HIS 81 Ca 0.17 0.54 -0.15 0.00 -0.80 0.00 0.00 55.06 54.81 2ai6 s HIS 81 Cb 0.04 0.16 0.04 0.00 -1.43 0.00 0.00 32.58 31.39 2ai6 s HIS 81 CO -0.01 -0.40 0.41 -0.65 -2.00 0.00 0.00 174.74 172.08 2ai6 s GLN 82 N -1.08 0.56 0.63 -0.38 -1.52 -1.26 -4.96 119.66 111.65 2ai6 s GLN 82 Ca -0.11 0.41 0.41 0.00 -1.95 0.00 0.00 55.36 54.12 2ai6 s GLN 82 Cb -0.04 0.26 2.06 0.00 -0.22 0.00 0.00 33.01 35.07 2ai6 s GLN 82 CO 0.05 -0.10 2.24 0.77 -0.25 0.00 0.00 175.29 178.00 2ai6 h SER 83 N 5.03 0.00 0.65 5.90 0.02 -1.97 0.12 113.55 123.29 2ai6 h SER 83 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2ai6 h SER 83 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ai6 h SER 83 CO 0.28 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.53 2ai6 h GLN 84 N 0.00 0.00 0.00 3.45 4.20 -1.99 -3.34 115.11 117.43 2ai6 h GLN 84 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ai6 h GLN 84 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2ai6 h GLN 84 CO 0.00 0.00 -0.73 -3.47 -0.67 0.00 0.00 178.83 173.96 2ai6 n ASP 85 N -2.86 3.66 -0.17 1.46 2.03 -0.36 -5.06 116.55 115.24 2ai6 n ASP 85 Ca -0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2ai6 n ASP 85 Cb 0.21 0.38 -0.01 0.00 -0.72 0.00 0.00 41.12 40.98 2ai6 n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ai6 n LYS 86 N -1.58 -0.53 -4.03 -0.67 5.02 0.29 -5.00 118.16 111.65 2ai6 n LYS 86 Ca 0.00 0.35 -0.11 0.00 -2.02 0.00 0.00 58.31 56.53 2ai6 n LYS 86 Cb 0.36 -3.91 -0.05 0.00 -0.02 0.00 0.00 35.03 31.41 2ai6 n LYS 86 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ai6 s LYS 87 N -1.28 1.66 0.57 1.97 0.00 -1.26 -5.03 119.74 116.37 2ai6 s LYS 87 Ca 0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 55.97 54.38 2ai6 s LYS 87 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 37.83 38.23 2ai6 s LYS 87 CO 0.00 -0.69 1.01 0.42 0.00 0.00 0.00 175.35 176.10 2ai6 s ILE 88 N -3.65 4.50 0.02 3.79 1.01 -0.83 -4.10 121.20 121.93 2ai6 s ILE 88 Ca 0.26 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.94 2ai6 s ILE 88 Cb -0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2ai6 s ILE 88 CO 0.13 -0.85 -0.02 -2.28 0.00 0.00 0.00 174.94 171.91 2ai6 s HIS 89 N -2.84 0.23 -0.10 3.97 2.46 0.12 -1.69 115.29 117.44 2ai6 s HIS 89 Ca 0.58 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 55.63 2ai6 s HIS 89 Cb -0.11 -0.17 0.02 0.00 -0.13 0.00 0.00 32.58 32.19 2ai6 s HIS 89 CO 0.41 -0.18 -0.09 0.08 -2.47 0.00 0.00 174.74 172.49 2ai6 s VAL 90 N -1.35 1.07 0.18 0.89 1.01 -0.28 -1.78 120.40 120.14 2ai6 s VAL 90 Ca -0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2ai6 s VAL 90 Cb -0.09 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2ai6 s VAL 90 CO -0.01 0.37 0.35 0.00 0.00 0.00 0.00 175.10 175.80 2ai6 n TYR 91 N 4.60 -1.57 -4.26 5.22 4.11 -0.18 -2.29 117.16 122.79 2ai6 n TYR 91 Ca -0.16 -0.85 0.00 0.00 -0.00 0.00 0.00 57.90 56.89 2ai6 n TYR 91 Cb 0.50 0.41 0.00 0.00 -0.00 0.00 0.00 39.34 40.25 2ai6 n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ai6 n GLY 92 N -0.24 -0.87 3.24 -7.48 0.00 0.05 -0.45 105.19 99.45 2ai6 n GLY 92 Ca -0.04 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 2ai6 n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ai6 s TYR 93 N 0.00 -0.09 0.15 1.61 1.13 -1.26 -4.63 117.35 114.26 2ai6 s TYR 93 Ca 0.00 -0.04 -0.31 0.00 -1.41 0.00 0.00 57.07 55.32 2ai6 s TYR 93 Cb 0.00 0.08 -0.08 0.00 -1.10 0.00 0.00 41.96 40.86 2ai6 s TYR 93 CO 0.00 -0.49 1.34 0.45 -2.51 0.00 0.00 175.55 174.34 2ai6 s SER 94 N -2.01 6.88 0.66 -0.18 0.15 -0.52 -4.33 113.70 114.34 2ai6 s SER 94 Ca -0.06 2.33 0.41 0.00 0.70 0.00 0.00 55.95 59.33 2ai6 s SER 94 Cb -0.01 -2.60 2.25 0.00 -1.71 0.00 0.00 66.02 63.95 2ai6 s SER 94 CO -0.03 -0.58 2.30 -0.03 1.20 0.00 0.00 173.24 176.10 2ai6 h MET 95 N 6.20 0.00 0.00 5.44 4.05 -1.92 -1.49 114.93 127.21 2ai6 h MET 95 Ca -0.43 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.95 2ai6 h MET 95 Cb 1.21 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2ai6 h MET 95 CO 0.82 0.00 -1.27 0.00 0.23 0.00 0.00 176.91 176.69 2ai6 n ALA 96 N -2.09 2.06 -0.54 0.39 0.00 -1.26 -4.83 120.51 114.24 2ai6 n ALA 96 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2ai6 n ALA 96 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2ai6 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ai6 n TYR 97 N -1.89 0.00 -1.34 0.00 4.01 -1.20 -5.12 117.16 111.62 2ai6 n TYR 97 Ca -0.04 -0.02 0.04 0.00 -0.16 0.00 0.00 57.90 57.72 2ai6 n TYR 97 Cb 0.35 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 2ai6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ai6 n GLY 98 N -0.02 -2.07 3.72 2.72 0.00 -0.57 -4.40 105.19 104.57 2ai6 n GLY 98 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2ai6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ai6 s PRO 99 N -1.04 4.37 0.87 1.61 0.04 -1.26 -1.36 135.00 138.23 2ai6 s PRO 99 Ca 0.00 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 2ai6 s PRO 99 Cb 0.00 -3.29 0.12 0.00 0.04 0.00 0.00 34.50 31.37 2ai6 s PRO 99 CO 0.00 -0.35 1.12 0.00 0.04 0.00 0.00 177.00 177.81 2ai6 s ALA 100 N 1.04 1.90 -1.30 8.56 0.00 -0.81 -4.60 121.76 126.54 2ai6 s ALA 100 Ca 0.62 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 2ai6 s ALA 100 Cb -0.34 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 19.77 2ai6 s ALA 100 CO 0.30 -2.11 1.82 1.04 0.00 0.00 0.00 175.76 176.81 2ai6 n GLN 101 N -3.67 2.99 0.20 0.00 6.02 -1.26 -4.81 117.38 116.85 2ai6 n GLN 101 Ca 0.07 -3.10 0.13 0.00 -0.01 0.00 0.00 57.00 54.08 2ai6 n GLN 101 Cb 0.58 -3.48 0.69 0.00 1.02 0.00 0.00 30.24 29.04 2ai6 n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ai6 h HIS 102 N 7.55 0.00 -0.51 1.08 3.86 -1.96 0.38 115.15 125.55 2ai6 h HIS 102 Ca 0.45 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.73 2ai6 h HIS 102 Cb 0.84 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 2ai6 h HIS 102 CO 1.41 0.00 0.34 0.00 0.86 0.00 0.00 177.93 180.54 2ai6 h ALA 103 N 1.90 2.01 -0.42 2.45 0.00 -1.98 -1.32 119.26 121.91 2ai6 h ALA 103 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ai6 h ALA 103 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ai6 h ALA 103 CO 0.00 -0.12 0.10 0.82 0.00 0.00 0.00 179.25 180.06 2ai6 h ILE 104 N 0.35 1.23 0.22 0.00 1.08 -1.33 -1.24 117.51 117.83 2ai6 h ILE 104 Ca 0.23 -0.79 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2ai6 h ILE 104 Cb 0.44 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2ai6 h ILE 104 CO -0.06 0.28 -0.16 0.28 -0.69 0.00 0.00 178.15 177.80 2ai6 h SER 105 N 0.54 -0.42 -0.53 1.72 0.02 -1.40 -0.02 113.55 113.46 2ai6 h SER 105 Ca 0.13 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ai6 h SER 105 Cb 0.31 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2ai6 h SER 105 CO 0.00 -0.26 0.34 0.71 -1.14 0.00 0.00 176.83 176.48 2ai6 h THR 106 N -0.39 1.15 0.28 -2.27 1.35 -1.27 0.67 112.91 112.44 2ai6 h THR 106 Ca -0.01 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2ai6 h THR 106 Cb 0.34 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 2ai6 h THR 106 CO -0.00 0.15 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.91 2ai6 h GLU 107 N 0.71 -0.43 -0.19 4.72 5.08 -1.03 -1.01 114.58 122.43 2ai6 h GLU 107 Ca 0.19 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2ai6 h GLU 107 Cb -0.05 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ai6 h GLU 107 CO -0.04 -0.29 -0.25 0.87 -1.00 0.00 0.00 179.01 178.30 2ai6 h LYS 108 N -0.45 0.51 -0.57 2.33 1.57 -0.83 -1.83 116.57 117.30 2ai6 h LYS 108 Ca -0.03 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 2ai6 h LYS 108 Cb 0.38 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2ai6 h LYS 108 CO 0.02 0.88 0.15 0.82 -0.57 0.00 0.00 179.45 180.76 2ai6 h ILE 109 N 0.17 1.24 -0.72 1.86 2.04 -0.89 -0.52 117.51 120.69 2ai6 h ILE 109 Ca 0.02 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 2ai6 h ILE 109 Cb 0.82 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2ai6 h ILE 109 CO 0.06 0.32 0.24 0.11 0.00 0.00 0.00 178.15 178.87 2ai6 h LYS 110 N 0.80 1.10 -0.33 2.37 1.57 -1.13 0.21 116.57 121.16 2ai6 h LYS 110 Ca 0.18 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2ai6 h LYS 110 Cb 0.32 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2ai6 h LYS 110 CO -0.00 0.93 0.13 0.00 -0.57 0.00 0.00 179.45 179.94 2ai6 h ALA 111 N 1.19 0.43 0.00 3.86 0.00 -0.92 -3.16 119.26 120.66 2ai6 h ALA 111 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 111 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ai6 h ALA 111 CO -0.01 0.02 -0.46 0.87 0.00 0.00 0.00 179.25 179.67 2ai6 h LYS 112 N 0.38 0.00 -6.94 0.00 6.56 -0.89 -3.49 116.57 112.20 2ai6 h LYS 112 Ca 0.11 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 59.10 2ai6 h LYS 112 Cb 0.18 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 2ai6 h LYS 112 CO -0.01 0.46 -1.02 0.98 -2.06 0.00 0.00 179.45 177.80 2ai6 n TYR 113 N -3.22 -1.41 0.26 -1.35 4.19 0.71 -4.89 117.16 111.46 2ai6 n TYR 113 Ca 0.02 0.09 0.14 0.00 3.31 0.00 0.00 57.90 61.45 2ai6 n TYR 113 Cb 0.72 -2.78 0.63 0.00 0.49 0.00 0.00 39.34 38.39 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2ai6 h PRO 114 N -2.58 0.00 0.00 2.98 0.13 -1.93 -3.42 132.00 127.18 2ai6 h PRO 114 Ca -0.71 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2ai6 h PRO 114 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2ai6 h PRO 114 CO 0.51 0.12 0.00 -3.47 -0.23 0.00 0.00 178.00 174.93 2ai6 n ASP 115 N -3.32 0.00 -3.42 1.44 2.03 -1.26 -5.08 116.55 106.94 2ai6 n ASP 115 Ca -0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2ai6 n ASP 115 Cb 0.33 0.33 -0.01 0.00 -0.72 0.00 0.00 41.12 41.05 2ai6 n ASP 115 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2ai6 s TYR 116 N -1.95 0.15 0.82 -0.67 5.04 -1.26 -5.17 117.35 114.31 2ai6 s TYR 116 Ca 0.00 -0.66 -0.12 0.00 -2.44 0.00 0.00 57.07 53.85 2ai6 s TYR 116 Cb 0.00 0.61 0.09 0.00 0.35 0.00 0.00 41.96 43.01 2ai6 s TYR 116 CO 0.00 -1.34 1.14 -2.00 -1.34 0.00 0.00 175.55 172.02 2ai6 s GLU 117 N -3.16 1.70 0.19 4.97 2.12 -1.26 -4.86 118.70 118.40 2ai6 s GLU 117 Ca 0.16 1.48 0.03 0.00 0.36 0.00 0.00 54.97 57.01 2ai6 s GLU 117 Cb -0.04 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.49 2ai6 s GLU 117 CO 0.11 -2.11 -0.02 0.14 -0.54 0.00 0.00 175.26 172.84 2ai6 s VAL 118 N -2.56 0.89 0.23 3.70 -7.23 -1.26 -1.97 120.40 112.20 2ai6 s VAL 118 Ca 0.67 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2ai6 s VAL 118 Cb -0.22 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2ai6 s VAL 118 CO 0.54 -0.47 0.20 0.42 -0.31 0.00 0.00 175.10 175.48 2ai6 s THR 119 N -3.51 0.00 0.18 5.32 -4.23 -0.68 -4.92 115.64 107.79 2ai6 s THR 119 Ca 0.24 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2ai6 s THR 119 Cb 0.05 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 2ai6 s THR 119 CO 0.05 0.00 0.17 -1.66 -0.54 0.00 0.00 174.62 172.64 2ai6 s TRP 120 N -3.97 0.84 -0.04 3.99 1.48 -1.26 -1.13 118.94 118.85 2ai6 s TRP 120 Ca 0.37 -1.15 -0.07 0.00 -1.06 0.00 0.00 56.10 54.20 2ai6 s TRP 120 Cb 0.05 -0.36 0.01 0.00 -1.16 0.00 0.00 33.47 32.01 2ai6 s TRP 120 CO 0.15 -0.65 0.16 0.00 -4.06 0.00 0.00 176.95 172.55 2ai6 s ALA 121 N -4.07 -0.40 -0.21 2.67 0.00 -0.97 -4.94 121.76 113.84 2ai6 s ALA 121 Ca 0.28 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2ai6 s ALA 121 Cb 0.06 -0.14 0.25 0.00 0.00 0.00 0.00 23.12 23.28 2ai6 s ALA 121 CO 0.06 -0.13 1.58 -1.71 0.00 0.00 0.00 175.76 175.56 2ai6 n ASN 122 N 2.42 4.26 -3.39 0.00 5.15 -1.26 -4.24 115.26 118.21 2ai6 n ASN 122 Ca -0.16 -2.76 -0.11 0.00 -0.60 0.00 0.00 54.58 50.95 2ai6 n ASN 122 Cb 0.58 -0.77 -0.02 0.00 -0.53 0.00 0.00 39.78 39.03 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ai6 s ASP 123 N 0.17 0.27 0.00 1.20 -1.08 -1.26 -4.95 116.67 111.02 2ai6 s ASP 123 Ca 0.24 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 2ai6 s ASP 123 Cb 0.20 0.71 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 2ai6 s ASP 123 CO 0.03 -1.39 0.00 0.61 0.52 0.00 0.00 175.17 174.94 2ai6 n GLY 124 N -0.50 0.87 0.00 2.66 0.00 -1.26 -0.77 105.19 106.19 2ai6 n GLY 124 Ca -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60