#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 0.19 0.24 -5.12 0.00 -1.26 -5.19 121.76 110.61 2ai6 s ALA 2 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2ai6 s ALA 2 Cb 0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2ai6 s ALA 2 CO 0.00 -0.58 0.57 0.54 0.00 0.00 0.00 175.76 176.29 2ai6 s VAL 3 N -3.97 0.01 0.15 0.00 0.11 -1.26 -4.73 120.40 110.71 2ai6 s VAL 3 Ca 0.17 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 2ai6 s VAL 3 Cb 0.05 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 2ai6 s VAL 3 CO -0.02 -0.04 0.16 0.00 -3.33 0.00 0.00 175.10 171.87 2ai6 n ALA 4 N -0.39 0.15 -3.01 1.54 0.00 -1.26 -5.02 120.51 112.51 2ai6 n ALA 4 Ca -0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 2ai6 n ALA 4 Cb 0.61 0.65 -0.10 0.00 0.00 0.00 0.00 19.45 20.61 2ai6 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ai6 s ASP 5 N -2.00 0.09 0.51 0.00 2.15 -1.26 -4.72 116.67 111.45 2ai6 s ASP 5 Ca 0.16 -0.32 0.25 0.00 0.43 0.00 0.00 52.55 53.06 2ai6 s ASP 5 Cb 0.00 0.19 1.35 0.00 -0.30 0.00 0.00 42.92 44.17 2ai6 s ASP 5 CO 0.11 -0.39 1.96 -0.07 -0.17 0.00 0.00 175.17 176.61 2ai6 h LEU 6 N 4.20 0.07 -0.71 -1.34 3.38 -1.95 0.18 115.31 119.14 2ai6 h LEU 6 Ca -0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2ai6 h LEU 6 Cb 1.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 6 CO 0.43 0.03 -0.38 0.00 0.09 0.00 0.00 178.44 178.61 2ai6 h ALA 7 N 1.68 0.91 0.00 1.53 0.00 -2.02 -3.23 119.26 118.13 2ai6 h ALA 7 Ca 0.31 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2ai6 h ALA 7 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2ai6 h ALA 7 CO -0.03 0.47 -0.62 -0.07 0.00 0.00 0.00 179.25 179.01 2ai6 h LEU 8 N 0.00 0.00 -9.63 0.00 3.38 -1.38 -3.46 115.31 104.22 2ai6 h LEU 8 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2ai6 h LEU 8 Cb 1.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.82 2ai6 h LEU 8 CO 0.05 0.16 0.87 -0.38 0.09 0.00 0.00 178.44 179.23 2ai6 n ILE 9 N -2.94 0.35 -1.70 1.22 5.41 -1.10 -4.90 119.36 115.70 2ai6 n ILE 9 Ca 0.00 -0.09 -0.54 0.00 1.00 0.00 0.00 62.75 63.13 2ai6 n ILE 9 Cb 0.61 -1.79 -0.06 0.00 -0.71 0.00 0.00 39.64 37.69 2ai6 n ILE 9 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ai6 n PRO 10 N 3.16 1.52 0.02 0.38 -0.02 -1.26 -4.89 135.00 133.90 2ai6 n PRO 10 Ca 0.14 0.55 -0.22 0.00 -2.02 0.00 0.00 63.50 61.96 2ai6 n PRO 10 Cb 0.33 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 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 8.09 0.44 -3.65 2.55 3.58 -1.93 -3.46 116.42 122.04 2ai6 h ASP 11 Ca -0.47 -0.91 -0.30 0.00 0.42 0.00 0.00 57.03 55.78 2ai6 h ASP 11 Cb 1.30 -0.14 -0.31 0.00 1.72 0.00 0.00 39.33 41.90 2ai6 h ASP 11 CO 0.96 1.79 -0.74 -0.69 -2.88 0.00 0.00 179.24 177.69 2ai6 s VAL 12 N -2.54 0.12 -0.26 2.25 1.01 -1.26 -1.41 120.40 118.31 2ai6 s VAL 12 Ca -0.21 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2ai6 s VAL 12 Cb 0.06 -0.17 0.13 0.00 0.00 0.00 0.00 36.38 36.41 2ai6 s VAL 12 CO 0.78 0.08 0.52 -0.62 0.00 0.00 0.00 175.10 175.86 2ai6 s ASP 13 N 0.49 -0.69 0.06 3.32 -1.08 -1.02 -5.01 116.67 112.73 2ai6 s ASP 13 Ca -0.04 1.03 0.01 0.00 -0.52 0.00 0.00 52.55 53.03 2ai6 s ASP 13 Cb -0.07 1.79 -0.03 0.00 -1.46 0.00 0.00 42.92 43.15 2ai6 s ASP 13 CO -0.01 -0.24 -0.06 0.27 0.52 0.00 0.00 175.17 175.65 2ai6 s ILE 14 N 2.75 0.46 -0.40 4.11 -4.36 -1.26 -3.26 121.20 119.23 2ai6 s ILE 14 Ca 0.04 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2ai6 s ILE 14 Cb -0.13 -0.98 0.13 0.00 1.25 0.00 0.00 42.46 42.72 2ai6 s ILE 14 CO -0.17 -0.63 0.20 -0.62 0.24 0.00 0.00 174.94 173.96 2ai6 s ASP 15 N -2.17 3.64 0.62 4.36 2.15 -0.79 -4.99 116.67 119.49 2ai6 s ASP 15 Ca -0.02 -2.36 -0.18 0.00 0.43 0.00 0.00 52.55 50.41 2ai6 s ASP 15 Cb -0.03 -0.92 -0.03 0.00 -0.30 0.00 0.00 42.92 41.64 2ai6 s ASP 15 CO -0.03 -0.30 1.10 -1.20 -0.17 0.00 0.00 175.17 174.57 2ai6 n SER 16 N 3.88 1.33 0.00 -0.34 7.64 -1.26 -4.45 113.62 120.41 2ai6 n SER 16 Ca 0.07 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2ai6 n SER 16 Cb 0.36 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ai6 n ASP 17 N -1.19 0.00 0.00 6.43 2.03 -1.26 -5.04 116.55 117.51 2ai6 n ASP 17 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2ai6 n ASP 17 Cb 0.47 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2ai6 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 18 N -0.98 0.58 3.22 0.27 0.00 -1.26 -5.05 105.19 101.97 2ai6 n GLY 18 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 0.22 1.61 1.01 -1.26 -0.83 120.40 121.15 2ai6 s VAL 19 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2ai6 s VAL 19 Cb 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.93 2ai6 s VAL 19 CO 0.00 -0.01 0.55 0.72 0.00 0.00 0.00 175.10 176.36 2ai6 s PHE 20 N 0.14 -0.06 0.28 5.22 -0.71 -0.21 -4.85 117.98 117.79 2ai6 s PHE 20 Ca -0.00 -0.30 0.03 0.00 -1.04 0.00 0.00 56.93 55.62 2ai6 s PHE 20 Cb -0.02 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 2ai6 s PHE 20 CO 0.01 -0.98 0.44 0.15 -1.34 0.00 0.00 175.22 173.49 2ai6 s LYS 21 N -3.90 3.45 0.21 1.99 -0.14 -1.25 -0.76 119.74 119.32 2ai6 s LYS 21 Ca 0.11 -0.60 -0.06 0.00 -1.36 0.00 0.00 55.97 54.06 2ai6 s LYS 21 Cb -0.02 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 2ai6 s LYS 21 CO 0.00 0.31 0.26 1.52 -0.76 0.00 0.00 175.35 176.69 2ai6 s TYR 22 N -2.11 0.77 0.03 3.18 1.13 -0.58 -2.21 117.35 117.55 2ai6 s TYR 22 Ca 0.37 -1.07 -0.06 0.00 -1.41 0.00 0.00 57.07 54.90 2ai6 s TYR 22 Cb -0.09 -0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 40.52 2ai6 s TYR 22 CO 0.32 -0.76 0.11 0.54 -2.51 0.00 0.00 175.55 173.24 2ai6 s VAL 23 N -4.08 0.12 -0.21 -3.49 0.11 -0.45 -2.56 120.40 109.84 2ai6 s VAL 23 Ca 0.30 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2ai6 s VAL 23 Cb 0.04 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2ai6 s VAL 23 CO 0.09 -0.54 -0.15 -0.22 -3.33 0.00 0.00 175.10 170.95 2ai6 s LEU 24 N -1.93 2.65 -0.07 2.54 2.96 -0.62 -2.65 118.68 121.56 2ai6 s LEU 24 Ca -0.08 -0.85 0.04 0.00 -0.22 0.00 0.00 54.13 53.03 2ai6 s LEU 24 Cb -0.03 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 2ai6 s LEU 24 CO -0.03 -0.07 -0.20 0.27 -1.32 0.00 0.00 176.35 175.01 2ai6 s ILE 25 N 1.26 1.69 0.37 6.68 -4.36 -0.74 -0.61 121.20 125.50 2ai6 s ILE 25 Ca 0.01 -0.83 -0.24 0.00 -0.26 0.00 0.00 60.65 59.32 2ai6 s ILE 25 Cb -0.15 -1.46 -0.10 0.00 1.25 0.00 0.00 42.46 42.00 2ai6 s ILE 25 CO -0.09 0.48 0.99 -0.60 0.24 0.00 0.00 174.94 175.95 2ai6 s ARG 26 N 0.21 4.35 -0.05 0.37 3.52 0.31 -0.87 118.95 126.80 2ai6 s ARG 26 Ca -0.11 1.37 0.01 0.00 -0.13 0.00 0.00 55.73 56.87 2ai6 s ARG 26 Cb -0.15 -2.59 0.02 0.00 -1.56 0.00 0.00 34.95 30.68 2ai6 s ARG 26 CO 0.05 0.05 -0.04 0.08 -0.81 0.00 0.00 175.30 174.63 2ai6 s VAL 27 N -1.73 0.56 0.25 7.11 1.01 0.09 -1.68 120.40 126.01 2ai6 s VAL 27 Ca 0.55 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 2ai6 s VAL 27 Cb -0.18 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2ai6 s VAL 27 CO 0.23 0.23 0.49 -1.00 0.00 0.00 0.00 175.10 175.06 2ai6 s HIS 28 N 1.00 3.48 0.00 5.22 0.09 -0.53 -2.14 115.29 122.40 2ai6 s HIS 28 Ca -0.10 0.56 -0.01 0.00 -0.00 0.00 0.00 55.06 55.51 2ai6 s HIS 28 Cb -0.14 -2.03 -0.04 0.00 -0.00 0.00 0.00 32.58 30.37 2ai6 s HIS 28 CO -0.00 0.26 1.61 -1.13 -0.00 0.00 0.00 174.74 175.47 2ai6 n SER 29 N -0.74 3.63 -1.94 1.40 3.41 -0.52 -4.35 113.62 114.51 2ai6 n SER 29 Ca -0.03 -2.00 -0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2ai6 n SER 29 Cb 0.54 -0.81 0.35 0.00 -0.26 0.00 0.00 64.21 64.03 2ai6 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ai6 n ALA 30 N 1.85 4.28 -1.64 7.33 0.00 -1.26 -4.57 120.51 126.49 2ai6 n ALA 30 Ca 0.06 -2.18 -0.58 0.00 0.00 0.00 0.00 53.44 50.73 2ai6 n ALA 30 Cb 0.40 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 0.16 0.67 -2.19 0.00 -0.02 -1.26 -1.21 135.00 131.16 2ai6 n PRO 31 Ca 0.35 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2ai6 n PRO 31 Cb 1.31 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 3.45 -2.60 -2.51 -0.52 5.12 0.50 -0.83 116.66 119.29 2ai6 n ARG 32 Ca 0.24 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.06 2ai6 n ARG 32 Cb 0.10 -4.33 -0.00 0.00 -1.16 0.00 0.00 32.46 27.07 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 -1.02 -3.23 -0.03 0.55 7.64 -0.35 -4.86 113.62 112.32 2ai6 n SER 33 Ca 0.00 0.23 0.14 0.00 1.01 0.00 0.00 58.87 60.25 2ai6 n SER 33 Cb 0.40 -2.78 0.57 0.00 -1.01 0.00 0.00 64.21 61.39 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 -0.76 -1.25 3.14 0.23 0.00 -0.01 -4.80 105.19 101.75 2ai6 n GLY 34 Ca -0.11 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 2ai6 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 s ALA 35 N -2.78 -0.54 -2.02 4.61 0.00 -1.26 -5.06 121.76 114.71 2ai6 s ALA 35 Ca 0.20 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.56 2ai6 s ALA 35 Cb 0.19 -0.12 0.27 0.00 0.00 0.00 0.00 23.12 23.46 2ai6 s ALA 35 CO 0.53 -0.18 1.21 -0.35 0.00 0.00 0.00 175.76 176.97 2ai6 n PRO 36 N 2.07 1.47 -0.75 0.00 -0.04 -1.26 -4.79 135.00 131.70 2ai6 n PRO 36 Ca -0.18 -0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 62.23 2ai6 n PRO 36 Cb 0.57 -1.18 0.15 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.07 -1.27 -2.79 0.55 0.00 -1.26 -5.00 120.51 110.82 2ai6 n ALA 37 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 2ai6 n ALA 37 Cb 0.18 -2.08 0.05 0.00 0.00 0.00 0.00 19.45 17.59 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 -3.97 2.67 -1.48 0.00 0.00 -1.26 -4.63 120.51 111.85 2ai6 n ALA 38 Ca 0.11 -2.78 -0.29 0.00 0.00 0.00 0.00 53.44 50.48 2ai6 n ALA 38 Cb 0.52 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.63 1.35 0.15 0.00 0.41 -1.26 -4.85 118.70 110.88 2ai6 s GLU 39 Ca 0.28 0.45 -0.17 0.00 -0.41 0.00 0.00 54.97 55.13 2ai6 s GLU 39 Cb 0.33 -1.85 0.04 0.00 -1.78 0.00 0.00 34.13 30.86 2ai6 s GLU 39 CO -0.04 -2.09 0.45 -1.12 -0.49 0.00 0.00 175.26 171.97 2ai6 s SER 40 N -3.89 -0.28 0.20 -0.19 0.01 -1.26 -1.43 113.70 106.86 2ai6 s SER 40 Ca 0.63 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 57.42 2ai6 s SER 40 Cb -0.15 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.60 2ai6 s SER 40 CO 0.54 -0.91 0.45 -1.59 0.41 0.00 0.00 173.24 172.14 2ai6 s LYS 41 N -3.82 1.35 0.11 12.44 0.00 -0.91 -4.99 119.74 123.93 2ai6 s LYS 41 Ca 0.04 -1.01 0.05 0.00 0.00 0.00 0.00 55.97 55.05 2ai6 s LYS 41 Cb 0.01 0.48 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2ai6 s LYS 41 CO -0.10 -0.55 0.03 -1.21 0.00 0.00 0.00 175.35 173.51 2ai6 s GLU 42 N -3.92 2.61 0.13 1.78 8.01 -1.26 -0.73 118.70 125.32 2ai6 s GLU 42 Ca 0.13 -0.86 0.05 0.00 0.01 0.00 0.00 54.97 54.31 2ai6 s GLU 42 Cb 0.00 -2.55 -0.04 0.00 -4.31 0.00 0.00 34.13 27.23 2ai6 s GLU 42 CO -0.00 0.53 -0.12 0.96 0.01 0.00 0.00 175.26 176.63 2ai6 s ILE 43 N -1.43 1.25 -0.14 -1.63 -4.36 -0.05 -4.97 121.20 109.87 2ai6 s ILE 43 Ca 0.27 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 2ai6 s ILE 43 Cb -0.11 -1.62 0.02 0.00 1.25 0.00 0.00 42.46 41.99 2ai6 s ILE 43 CO 0.19 -0.54 -0.18 -0.69 0.24 0.00 0.00 174.94 173.97 2ai6 s VAL 44 N -2.56 1.78 0.11 8.37 1.01 -0.50 -1.79 120.40 126.82 2ai6 s VAL 44 Ca 0.11 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2ai6 s VAL 44 Cb -0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2ai6 s VAL 44 CO 0.02 0.49 -0.15 -0.13 0.00 0.00 0.00 175.10 175.33 2ai6 s ARG 45 N 1.14 1.02 -0.29 2.72 1.81 -1.08 -2.42 118.95 121.85 2ai6 s ARG 45 Ca -0.01 -1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 52.62 2ai6 s ARG 45 Cb -0.14 -0.99 0.15 0.00 -0.45 0.00 0.00 34.95 33.52 2ai6 s ARG 45 CO -0.07 0.20 1.03 0.20 -0.68 0.00 0.00 175.30 175.99 2ai6 s GLY 46 N -2.28 0.04 -0.01 -3.53 0.00 -1.20 -1.34 107.32 99.00 2ai6 s GLY 46 Ca 0.07 3.14 -0.17 0.00 0.00 0.00 0.00 44.72 47.76 2ai6 s GLY 46 CO 0.03 2.44 0.36 -0.19 0.00 0.00 0.00 173.10 175.75 2ai6 s TYR 47 N 1.05 -0.24 0.37 1.90 2.02 -0.94 -1.88 117.35 119.63 2ai6 s TYR 47 Ca -0.06 0.33 0.15 0.00 -0.37 0.00 0.00 57.07 57.11 2ai6 s TYR 47 Cb -0.04 0.15 0.82 0.00 -0.40 0.00 0.00 41.96 42.49 2ai6 s TYR 47 CO -0.13 -0.45 1.86 1.57 -1.57 0.00 0.00 175.55 176.83 2ai6 h LYS 48 N 3.59 0.00 -0.29 -0.62 2.10 -1.85 -2.93 116.57 116.58 2ai6 h LYS 48 Ca -0.30 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.28 2ai6 h LYS 48 Cb 1.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 2ai6 h LYS 48 CO 0.41 0.33 -0.13 0.11 -2.00 0.00 0.00 179.45 178.17 2ai6 h TRP 49 N 0.00 0.52 -0.29 0.07 5.08 -1.96 -3.08 115.95 116.29 2ai6 h TRP 49 Ca -0.00 -0.08 -0.71 0.00 1.08 0.00 0.00 58.89 59.17 2ai6 h TRP 49 Cb 0.61 -0.14 -0.06 0.00 -3.00 0.00 0.00 29.16 26.57 2ai6 h TRP 49 CO 0.00 0.60 2.89 0.00 -1.28 0.00 0.00 178.44 180.64 2ai6 n ALA 50 N -2.48 5.31 0.14 0.11 0.00 -1.11 -4.75 120.51 117.73 2ai6 n ALA 50 Ca 0.01 -3.94 0.02 0.00 0.00 0.00 0.00 53.44 49.53 2ai6 n ALA 50 Cb 0.32 -3.47 0.08 0.00 0.00 0.00 0.00 19.45 16.38 2ai6 n ALA 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ai6 n GLU 51 N 6.04 0.01 -3.93 0.00 0.00 -1.17 -4.43 120.64 117.17 2ai6 n GLU 51 Ca 0.50 0.41 -0.13 0.00 0.00 0.00 0.00 57.16 57.94 2ai6 n GLU 51 Cb 0.39 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.19 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2ai6 s TYR 52 N -2.93 0.10 0.49 4.31 1.13 -1.26 -4.91 117.35 114.28 2ai6 s TYR 52 Ca 0.02 -0.03 0.16 0.00 -1.41 0.00 0.00 57.07 55.81 2ai6 s TYR 52 Cb 0.03 -0.07 1.19 0.00 -1.10 0.00 0.00 41.96 42.01 2ai6 s TYR 52 CO 0.07 -0.01 2.08 0.45 -2.51 0.00 0.00 175.55 175.63 2ai6 h HIS 53 N 6.07 0.15 -0.25 -3.49 3.86 -1.87 -0.84 115.15 118.79 2ai6 h HIS 53 Ca -0.25 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.99 2ai6 h HIS 53 Cb 1.21 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 2ai6 h HIS 53 CO 0.42 0.09 0.17 0.00 0.86 0.00 0.00 177.93 179.46 2ai6 h ALA 54 N 1.86 1.98 -0.35 2.45 0.00 -1.95 -0.98 119.26 122.26 2ai6 h ALA 54 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 54 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ai6 h ALA 54 CO -0.02 -0.02 -0.13 0.22 0.00 0.00 0.00 179.25 179.31 2ai6 h ASP 55 N 0.21 0.72 -0.28 0.00 3.58 -1.50 -0.83 116.42 118.32 2ai6 h ASP 55 Ca 0.11 -0.39 -0.19 0.00 0.42 0.00 0.00 57.03 56.98 2ai6 h ASP 55 Cb 0.17 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2ai6 h ASP 55 CO -0.02 0.95 -0.56 0.16 -2.88 0.00 0.00 179.24 176.89 2ai6 h ILE 56 N 0.49 1.28 -0.57 2.25 3.07 -1.60 -1.18 117.51 121.25 2ai6 h ILE 56 Ca 0.08 -1.74 0.03 0.00 1.55 0.00 0.00 64.86 64.79 2ai6 h ILE 56 Cb 0.66 1.66 -0.04 0.00 -0.27 0.00 0.00 36.82 38.83 2ai6 h ILE 56 CO 0.04 0.57 0.34 0.22 -1.05 0.00 0.00 178.15 178.27 2ai6 h TYR 57 N 0.65 0.63 -0.08 0.16 3.20 -1.05 0.95 116.97 121.43 2ai6 h TYR 57 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2ai6 h TYR 57 Cb 1.17 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2ai6 h TYR 57 CO 0.08 0.35 0.02 0.22 -1.64 0.00 0.00 178.16 177.18 2ai6 h ASP 58 N 0.66 0.12 0.02 -2.11 3.58 -1.11 0.02 116.42 117.61 2ai6 h ASP 58 Ca 0.23 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2ai6 h ASP 58 Cb 0.05 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2ai6 h ASP 58 CO -0.11 0.32 -0.14 0.50 -2.88 0.00 0.00 179.24 176.94 2ai6 h LYS 59 N -0.09 -0.23 -0.35 0.28 3.11 -0.94 -0.95 116.57 117.41 2ai6 h LYS 59 Ca 0.02 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.81 2ai6 h LYS 59 Cb 0.25 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 2ai6 h LYS 59 CO 0.00 -0.15 -0.07 0.28 -2.81 0.00 0.00 179.45 176.70 2ai6 h VAL 60 N -0.24 1.27 -0.75 2.00 2.07 -0.81 -2.35 116.25 117.45 2ai6 h VAL 60 Ca 0.04 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.48 2ai6 h VAL 60 Cb 0.29 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2ai6 h VAL 60 CO -0.12 0.36 0.50 0.28 0.02 0.00 0.00 177.57 178.61 2ai6 h SER 61 N 0.45 0.79 0.03 0.57 0.02 -0.79 0.10 113.55 114.73 2ai6 h SER 61 Ca 0.09 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2ai6 h SER 61 Cb 0.56 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2ai6 h SER 61 CO 0.03 0.55 -0.06 1.23 -1.14 0.00 0.00 176.83 177.44 2ai6 h GLY 62 N 0.92 -0.08 0.87 -3.77 0.00 -0.79 0.57 103.07 100.78 2ai6 h GLY 62 Ca 0.30 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 2ai6 h GLY 62 CO -0.08 -0.06 0.04 -1.80 0.00 0.00 0.00 176.54 174.63 2ai6 h ASP 63 N -0.11 0.41 -0.75 0.19 1.82 -0.85 -1.06 116.42 116.08 2ai6 h ASP 63 Ca 0.01 -0.26 0.02 0.00 -0.39 0.00 0.00 57.03 56.41 2ai6 h ASP 63 Cb 0.12 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 2ai6 h ASP 63 CO -0.04 0.57 0.48 0.24 -1.61 0.00 0.00 179.24 178.88 2ai6 h MET 64 N 0.24 0.93 -0.02 0.28 2.86 -0.75 -0.78 114.93 117.68 2ai6 h MET 64 Ca 0.08 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2ai6 h MET 64 Cb 0.34 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2ai6 h MET 64 CO 0.01 0.61 -0.51 1.96 1.06 0.00 0.00 176.91 180.03 2ai6 h GLN 65 N 0.95 0.07 -0.54 1.72 4.20 -0.71 0.19 115.11 120.99 2ai6 h GLN 65 Ca 0.29 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 2ai6 h GLN 65 Cb -0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2ai6 h GLN 65 CO -0.09 0.57 0.20 -0.22 -0.67 0.00 0.00 178.83 178.61 2ai6 h LYS 66 N 0.05 0.82 0.00 1.46 3.64 -0.61 -1.66 116.57 120.28 2ai6 h LYS 66 Ca -0.00 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2ai6 h LYS 66 Cb 0.93 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2ai6 h LYS 66 CO 0.07 0.73 -0.14 1.96 -2.27 0.00 0.00 179.45 179.81 2ai6 h GLN 67 N 0.74 0.00 0.00 1.90 4.20 -0.54 -3.46 115.11 117.95 2ai6 h GLN 67 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2ai6 h GLN 67 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2ai6 h GLN 67 CO -0.01 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.70 2ai6 n GLY 68 N -0.89 1.18 3.71 3.46 0.00 0.43 -0.37 105.19 112.71 2ai6 n GLY 68 Ca -0.02 0.00 -0.29 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 -3.68 2.06 0.12 0.00 2.15 -1.26 -3.80 116.67 112.26 2ai6 s ASP 70 Ca 0.65 -0.34 -0.06 0.00 0.43 0.00 0.00 52.55 53.24 2ai6 s ASP 70 Cb -0.17 -0.22 -0.02 0.00 -0.30 0.00 0.00 42.92 42.21 2ai6 s ASP 70 CO 0.56 0.20 0.15 0.00 -0.17 0.00 0.00 175.17 175.91 2ai6 s GLU 72 N -3.95 0.29 -0.26 0.00 2.12 -0.68 -4.99 118.70 111.24 2ai6 s GLU 72 Ca 0.14 0.69 -0.28 0.00 0.36 0.00 0.00 54.97 55.87 2ai6 s GLU 72 Cb 0.05 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 2ai6 s GLU 72 CO -0.04 -0.17 1.91 0.00 -0.54 0.00 0.00 175.26 176.42 2ai6 h LEU 74 N 13.62 0.00 0.00 0.00 3.38 -1.21 -3.48 115.31 127.62 2ai6 h LEU 74 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ai6 h LEU 74 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2ai6 h LEU 74 CO 1.00 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2ai6 n GLY 75 N -0.32 -1.07 0.00 0.83 0.00 -1.21 -4.67 105.19 98.75 2ai6 n GLY 75 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.44 0.00 -0.02 0.00 -0.70 -1.59 105.19 105.32 2ai6 n GLY 76 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.72 3.40 -0.02 0.00 -1.06 -1.30 105.19 106.92 2ai6 n GLY 77 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.43 1.43 -0.02 1.61 3.52 -0.06 -1.53 118.95 123.47 2ai6 s ARG 78 Ca 0.00 -1.36 0.04 0.00 -0.13 0.00 0.00 55.73 54.28 2ai6 s ARG 78 Cb 0.00 -1.90 -0.01 0.00 -1.56 0.00 0.00 34.95 31.48 2ai6 s ARG 78 CO 0.00 0.45 -0.15 0.42 -0.81 0.00 0.00 175.30 175.21 2ai6 s ILE 79 N -1.13 1.20 0.01 4.11 1.01 0.06 -1.29 121.20 125.17 2ai6 s ILE 79 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2ai6 s ILE 79 Cb -0.10 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2ai6 s ILE 79 CO 0.07 0.34 -0.03 -0.44 0.00 0.00 0.00 174.94 174.88 2ai6 s SER 80 N -0.20 0.29 -0.14 3.58 0.01 -0.41 -1.04 113.70 115.78 2ai6 s SER 80 Ca 0.03 -0.32 0.15 0.00 1.31 0.00 0.00 55.95 57.11 2ai6 s SER 80 Cb -0.07 0.05 0.37 0.00 0.21 0.00 0.00 66.02 66.57 2ai6 s SER 80 CO 0.00 -0.16 1.18 1.57 0.41 0.00 0.00 173.24 176.24 2ai6 n HIS 81 N 2.15 0.00 1.40 2.43 -0.00 -0.01 -1.21 115.22 119.99 2ai6 n HIS 81 Ca -0.19 -1.13 0.00 0.00 0.46 0.00 0.00 57.72 56.86 2ai6 n HIS 81 Cb 0.57 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 2ai6 n HIS 81 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2ai6 n GLN 82 N -0.83 0.83 0.31 1.57 1.13 -1.26 -4.22 117.38 114.91 2ai6 n GLN 82 Ca 0.15 0.00 0.21 0.00 -1.94 0.00 0.00 57.00 55.41 2ai6 n GLN 82 Cb 0.76 -1.13 1.10 0.00 0.11 0.00 0.00 30.24 31.08 2ai6 n GLN 82 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2ai6 h SER 83 N 0.05 0.00 -4.53 1.08 0.02 -1.86 -3.46 113.55 104.86 2ai6 h SER 83 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2ai6 h SER 83 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2ai6 h SER 83 CO 0.00 0.00 -0.50 0.00 -1.14 0.00 0.00 176.83 175.19 2ai6 n GLN 84 N -2.92 -3.33 -3.46 3.45 6.02 -1.26 -4.94 117.38 110.95 2ai6 n GLN 84 Ca -0.03 0.67 -0.11 0.00 -0.01 0.00 0.00 57.00 57.52 2ai6 n GLN 84 Cb 0.07 -5.39 -0.02 0.00 1.02 0.00 0.00 30.24 25.92 2ai6 n GLN 84 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ai6 s ASP 85 N -2.46 -0.52 0.63 1.08 2.15 -1.26 -5.05 116.67 111.23 2ai6 s ASP 85 Ca 0.23 -0.03 0.39 0.00 0.43 0.00 0.00 52.55 53.57 2ai6 s ASP 85 Cb -0.11 0.57 2.10 0.00 -0.30 0.00 0.00 42.92 45.17 2ai6 s ASP 85 CO 0.28 -0.92 2.28 0.07 -0.17 0.00 0.00 175.17 176.71 2ai6 h LYS 86 N 2.00 0.00 -7.06 4.34 -0.00 -1.96 -3.44 116.57 110.45 2ai6 h LYS 86 Ca -0.31 0.00 -0.54 0.00 -0.00 0.00 0.00 60.65 59.80 2ai6 h LYS 86 Cb 1.29 0.00 0.19 0.00 -0.00 0.00 0.00 32.23 33.71 2ai6 h LYS 86 CO 0.36 0.01 0.09 1.17 -0.00 0.00 0.00 179.45 181.08 2ai6 n LYS 87 N -3.29 0.12 -4.20 0.07 4.81 -1.26 -4.76 118.16 109.64 2ai6 n LYS 87 Ca -0.02 0.11 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 2ai6 n LYS 87 Cb 0.12 -2.26 -0.11 0.00 0.02 0.00 0.00 35.03 32.80 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2ai6 s ILE 88 N -2.14 1.03 0.04 3.15 1.01 -1.24 -4.62 121.20 118.42 2ai6 s ILE 88 Ca 0.70 -1.75 0.03 0.00 0.00 0.00 0.00 60.65 59.63 2ai6 s ILE 88 Cb -0.29 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 2ai6 s ILE 88 CO 0.54 -0.60 -0.10 -2.28 0.00 0.00 0.00 174.94 172.51 2ai6 s HIS 89 N -2.65 0.88 -0.09 3.97 2.46 -0.35 -1.78 115.29 117.74 2ai6 s HIS 89 Ca 0.09 -0.39 0.03 0.00 0.47 0.00 0.00 55.06 55.26 2ai6 s HIS 89 Cb -0.02 -0.52 0.01 0.00 -0.13 0.00 0.00 32.58 31.92 2ai6 s HIS 89 CO 0.00 -0.02 -0.18 0.08 -2.47 0.00 0.00 174.74 172.15 2ai6 s VAL 90 N -1.01 1.65 0.00 0.89 1.01 -0.31 -1.29 120.40 121.34 2ai6 s VAL 90 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2ai6 s VAL 90 Cb -0.08 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2ai6 s VAL 90 CO 0.01 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.58 2ai6 n TYR 91 N 3.73 -0.88 -4.31 5.22 0.18 -0.41 -2.64 117.16 118.05 2ai6 n TYR 91 Ca -0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.58 2ai6 n TYR 91 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2ai6 n TYR 91 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2ai6 n GLY 92 N 0.00 -0.70 3.22 -7.48 0.00 -0.35 -0.88 105.19 99.00 2ai6 n GLY 92 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.06 0.25 1.61 -0.85 -1.26 -4.71 117.35 112.33 2ai6 s TYR 93 Ca 0.00 -0.08 -0.30 0.00 -0.52 0.00 0.00 57.07 56.17 2ai6 s TYR 93 Cb 0.00 0.05 -0.10 0.00 0.38 0.00 0.00 41.96 42.29 2ai6 s TYR 93 CO 0.00 -0.46 1.39 0.45 -1.52 0.00 0.00 175.55 175.41 2ai6 s SER 94 N -1.98 6.72 0.43 -0.18 0.15 -0.42 -4.41 113.70 114.02 2ai6 s SER 94 Ca -0.06 2.61 0.29 0.00 0.70 0.00 0.00 55.95 59.48 2ai6 s SER 94 Cb -0.02 -2.62 1.56 0.00 -1.71 0.00 0.00 66.02 63.24 2ai6 s SER 94 CO -0.03 -0.64 1.88 0.24 1.20 0.00 0.00 173.24 175.89 2ai6 h MET 95 N 4.93 0.00 0.00 5.44 0.00 -1.92 -2.19 114.93 121.19 2ai6 h MET 95 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.24 2ai6 h MET 95 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.82 2ai6 h MET 95 CO 0.76 0.00 -0.77 0.00 0.00 0.00 0.00 176.91 176.91 2ai6 n ALA 96 N -1.87 1.61 -0.50 6.32 0.00 -1.26 -4.88 120.51 119.93 2ai6 n ALA 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ai6 n ALA 96 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.31 0.00 -2.18 0.00 4.01 -1.22 -5.12 117.16 111.35 2ai6 n TYR 97 Ca 0.00 -0.05 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 2ai6 n TYR 97 Cb 0.12 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.05 -1.96 3.71 2.72 0.00 -0.83 -4.40 105.19 104.38 2ai6 n GLY 98 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.79 4.32 0.90 1.61 0.04 -1.26 -1.37 135.00 138.46 2ai6 s PRO 99 Ca 0.00 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 2ai6 s PRO 99 Cb 0.00 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 31.38 2ai6 s PRO 99 CO 0.00 -0.44 1.11 0.00 0.04 0.00 0.00 177.00 177.71 2ai6 s ALA 100 N 1.25 1.65 -1.32 8.56 0.00 -0.99 -4.61 121.76 126.31 2ai6 s ALA 100 Ca 0.64 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 2ai6 s ALA 100 Cb -0.36 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2ai6 s ALA 100 CO 0.30 -2.30 1.91 1.04 0.00 0.00 0.00 175.76 176.71 2ai6 n GLN 101 N -3.80 2.93 0.33 0.00 6.02 -1.26 -4.80 117.38 116.79 2ai6 n GLN 101 Ca 0.06 -2.97 0.19 0.00 -0.01 0.00 0.00 57.00 54.28 2ai6 n GLN 101 Cb 0.57 -3.43 1.04 0.00 1.02 0.00 0.00 30.24 29.44 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 7.26 0.00 -1.00 1.08 3.86 -1.96 0.13 115.15 124.51 2ai6 h HIS 102 Ca 0.47 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.76 2ai6 h HIS 102 Cb 0.80 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.20 2ai6 h HIS 102 CO 1.42 0.00 0.64 0.00 0.86 0.00 0.00 177.93 180.85 2ai6 h ALA 103 N 1.71 1.45 -0.07 2.45 0.00 -1.99 -0.72 119.26 122.09 2ai6 h ALA 103 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ai6 h ALA 103 Cb 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ai6 h ALA 103 CO 0.00 0.37 0.02 0.82 0.00 0.00 0.00 179.25 180.46 2ai6 h ILE 104 N 1.11 1.15 -0.27 0.00 1.08 -1.14 -0.93 117.51 118.50 2ai6 h ILE 104 Ca 0.45 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2ai6 h ILE 104 Cb 0.28 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2ai6 h ILE 104 CO -0.20 0.13 0.13 0.28 -0.69 0.00 0.00 178.15 177.79 2ai6 h SER 105 N -0.06 0.36 -0.69 1.72 0.02 -1.46 0.13 113.55 113.57 2ai6 h SER 105 Ca 0.02 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2ai6 h SER 105 Cb 0.18 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2ai6 h SER 105 CO -0.00 0.40 0.35 0.71 -1.14 0.00 0.00 176.83 177.15 2ai6 h THR 106 N 0.31 1.22 -0.01 -2.27 1.35 -1.19 -0.00 112.91 112.32 2ai6 h THR 106 Ca 0.09 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2ai6 h THR 106 Cb 0.14 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2ai6 h THR 106 CO -0.01 0.25 0.00 -0.33 -0.25 0.00 0.00 175.52 175.19 2ai6 h GLU 107 N 0.96 0.01 -0.30 4.72 5.08 -0.48 0.23 114.58 124.79 2ai6 h GLU 107 Ca 0.24 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2ai6 h GLU 107 Cb 0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ai6 h GLU 107 CO -0.03 0.01 -0.00 0.87 -1.00 0.00 0.00 179.01 178.85 2ai6 h LYS 108 N 0.01 0.53 -0.22 2.33 1.79 -0.62 -0.47 116.57 119.92 2ai6 h LYS 108 Ca 0.01 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 2ai6 h LYS 108 Cb 0.00 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2ai6 h LYS 108 CO -0.01 0.68 0.12 0.82 -1.08 0.00 0.00 179.45 179.98 2ai6 h ILE 109 N 0.32 1.12 -0.83 1.86 2.04 -0.94 -0.42 117.51 120.67 2ai6 h ILE 109 Ca 0.08 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2ai6 h ILE 109 Cb 0.44 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2ai6 h ILE 109 CO 0.02 0.12 0.45 0.11 0.00 0.00 0.00 178.15 178.84 2ai6 h LYS 110 N 0.25 1.16 -0.20 2.37 1.57 -0.80 0.17 116.57 121.09 2ai6 h LYS 110 Ca 0.08 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2ai6 h LYS 110 Cb 0.08 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2ai6 h LYS 110 CO -0.01 0.85 0.06 0.00 -0.57 0.00 0.00 179.45 179.78 2ai6 h ALA 111 N 1.33 0.26 0.00 3.86 0.00 -0.76 -3.05 119.26 120.90 2ai6 h ALA 111 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ai6 h ALA 111 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ai6 h ALA 111 CO -0.05 -0.12 -0.13 0.87 0.00 0.00 0.00 179.25 179.83 2ai6 h LYS 112 N 0.14 0.00 -6.58 0.00 1.79 -0.80 -3.48 116.57 107.64 2ai6 h LYS 112 Ca 0.06 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.03 2ai6 h LYS 112 Cb 0.23 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2ai6 h LYS 112 CO -0.00 0.13 -0.97 0.98 -1.08 0.00 0.00 179.45 178.51 2ai6 n TYR 113 N -3.18 -1.69 0.28 -1.35 9.36 0.56 -4.88 117.16 116.26 2ai6 n TYR 113 Ca 0.02 0.30 0.16 0.00 3.32 0.00 0.00 57.90 61.70 2ai6 n TYR 113 Cb 0.48 -3.09 0.76 0.00 -0.63 0.00 0.00 39.34 36.86 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2ai6 h PRO 114 N -2.10 0.00 0.00 2.98 0.13 -1.91 -3.41 132.00 127.69 2ai6 h PRO 114 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2ai6 h PRO 114 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2ai6 h PRO 114 CO 0.49 0.07 0.00 -3.47 -0.23 0.00 0.00 178.00 174.85 2ai6 n ASP 115 N -3.27 0.00 -2.82 1.44 2.03 -1.26 -5.15 116.55 107.52 2ai6 n ASP 115 Ca -0.01 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.21 2ai6 n ASP 115 Cb 0.27 0.25 0.03 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.68 0.22 0.77 -0.67 5.04 -1.26 -5.10 117.35 114.66 2ai6 s TYR 116 Ca 0.00 -0.90 -0.14 0.00 -2.44 0.00 0.00 57.07 53.59 2ai6 s TYR 116 Cb 0.00 0.80 0.06 0.00 0.35 0.00 0.00 41.96 43.17 2ai6 s TYR 116 CO 0.00 -1.59 1.23 -2.00 -1.34 0.00 0.00 175.55 171.84 2ai6 s GLU 117 N -2.14 1.85 0.22 4.97 2.12 -1.26 -4.80 118.70 119.66 2ai6 s GLU 117 Ca 0.17 1.82 0.01 0.00 0.36 0.00 0.00 54.97 57.33 2ai6 s GLU 117 Cb -0.05 -1.79 -0.05 0.00 0.26 0.00 0.00 34.13 32.50 2ai6 s GLU 117 CO 0.13 -2.07 0.08 0.14 -0.54 0.00 0.00 175.26 173.00 2ai6 s VAL 118 N -1.98 0.47 0.23 3.70 -7.23 -1.26 -3.65 120.40 110.68 2ai6 s VAL 118 Ca 0.75 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2ai6 s VAL 118 Cb -0.31 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2ai6 s VAL 118 CO 0.48 -0.13 0.15 0.42 -0.31 0.00 0.00 175.10 175.70 2ai6 s THR 119 N -3.82 0.06 0.11 5.32 -4.23 -0.73 -4.97 115.64 107.38 2ai6 s THR 119 Ca 0.34 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 2ai6 s THR 119 Cb 0.07 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2ai6 s THR 119 CO 0.11 0.00 0.18 -1.66 -0.54 0.00 0.00 174.62 172.71 2ai6 s TRP 120 N -4.01 0.29 -0.14 3.99 1.48 -1.26 -1.16 118.94 118.14 2ai6 s TRP 120 Ca 0.39 -0.72 -0.10 0.00 -1.06 0.00 0.00 56.10 54.61 2ai6 s TRP 120 Cb 0.06 -0.12 0.04 0.00 -1.16 0.00 0.00 33.47 32.30 2ai6 s TRP 120 CO 0.14 -0.57 0.35 0.00 -4.06 0.00 0.00 176.95 172.81 2ai6 s ALA 121 N -3.90 -0.86 0.11 2.67 0.00 -1.08 -4.95 121.76 113.75 2ai6 s ALA 121 Ca 0.09 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.38 2ai6 s ALA 121 Cb 0.05 -0.67 0.69 0.00 0.00 0.00 0.00 23.12 23.19 2ai6 s ALA 121 CO -0.07 -0.20 1.73 -0.97 0.00 0.00 0.00 175.76 176.25 2ai6 h ASN 122 N 6.27 0.00 0.26 0.00 -1.24 -1.95 -3.30 115.58 115.62 2ai6 h ASN 122 Ca -0.32 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.57 2ai6 h ASN 122 Cb 1.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.22 2ai6 h ASN 122 CO 0.30 0.33 -0.47 -0.78 -1.29 0.00 0.00 177.43 175.53 2ai6 h ASP 123 N 0.00 0.27 -4.45 1.15 3.58 -1.96 -3.42 116.42 111.59 2ai6 h ASP 123 Ca -0.00 -0.13 -0.48 0.00 0.42 0.00 0.00 57.03 56.84 2ai6 h ASP 123 Cb 0.90 -0.08 0.10 0.00 1.72 0.00 0.00 39.33 41.98 2ai6 h ASP 123 CO 0.04 0.71 0.38 -0.83 -2.88 0.00 0.00 179.24 176.66 2ai6 s GLY 124 N -4.24 1.60 0.00 -0.78 0.00 -1.24 -4.95 107.32 97.71 2ai6 s GLY 124 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2ai6 s GLY 124 CO 0.78 -0.02 0.00 2.98 0.00 0.00 0.00 173.10 176.85