#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 0.80 1.02 3.17 0.00 -1.26 -5.17 121.76 120.31 2ai6 s ALA 2 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 2ai6 s ALA 2 Cb 0.00 0.45 0.20 0.00 0.00 0.00 0.00 23.12 23.77 2ai6 s ALA 2 CO 0.00 -0.37 1.08 0.14 0.00 0.00 0.00 175.76 176.61 2ai6 s VAL 3 N -3.87 2.22 0.26 0.00 -7.23 -1.26 -4.83 120.40 105.69 2ai6 s VAL 3 Ca 0.15 0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.43 2ai6 s VAL 3 Cb 0.07 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 2ai6 s VAL 3 CO -0.04 -0.09 0.16 0.00 -0.31 0.00 0.00 175.10 174.82 2ai6 n ALA 4 N -4.34 0.48 -2.82 1.32 0.00 -1.26 -5.02 120.51 108.87 2ai6 n ALA 4 Ca 0.05 -1.44 -0.10 0.00 0.00 0.00 0.00 53.44 51.95 2ai6 n ALA 4 Cb 0.55 1.08 -0.10 0.00 0.00 0.00 0.00 19.45 20.99 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 -2.74 0.18 0.43 0.00 2.15 -1.26 -4.69 116.67 110.73 2ai6 s ASP 5 Ca 0.23 -0.49 0.20 0.00 0.43 0.00 0.00 52.55 52.92 2ai6 s ASP 5 Cb 0.01 0.20 1.15 0.00 -0.30 0.00 0.00 42.92 43.98 2ai6 s ASP 5 CO 0.16 -0.45 1.82 -0.07 -0.17 0.00 0.00 175.17 176.47 2ai6 h LEU 6 N 3.94 0.37 -1.54 -1.34 3.38 -1.98 -0.57 115.31 117.58 2ai6 h LEU 6 Ca -0.32 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 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 0.47 0.11 -0.17 0.00 0.09 0.00 0.00 178.44 178.95 2ai6 h ALA 7 N 1.60 1.14 0.00 1.53 0.00 -2.03 -2.82 119.26 118.67 2ai6 h ALA 7 Ca 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2ai6 h ALA 7 Cb 1.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2ai6 h ALA 7 CO -0.20 0.21 -0.13 -0.07 0.00 0.00 0.00 179.25 179.06 2ai6 h LEU 8 N 0.00 0.00 -9.72 0.00 3.38 -1.52 -3.46 115.31 103.98 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 0.54 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.35 2ai6 h LEU 8 CO 0.02 0.00 0.92 -0.63 0.09 0.00 0.00 178.44 178.84 2ai6 s ILE 9 N -3.22 2.17 -0.29 1.22 1.01 -1.07 -4.90 121.20 116.12 2ai6 s ILE 9 Ca 0.06 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 2ai6 s ILE 9 Cb 0.06 -3.08 -0.08 0.00 0.01 0.00 0.00 42.46 39.36 2ai6 s ILE 9 CO 0.68 0.02 2.21 -2.65 0.00 0.00 0.00 174.94 175.20 2ai6 n PRO 10 N 3.02 1.50 0.06 2.79 -0.02 -1.26 -4.86 135.00 136.24 2ai6 n PRO 10 Ca 0.11 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.82 2ai6 n PRO 10 Cb 0.37 -2.85 -0.09 0.00 -0.02 0.00 0.00 33.50 30.91 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 13.79 0.75 -3.37 2.55 1.82 -1.92 -3.44 116.42 126.59 2ai6 h ASP 11 Ca -0.34 -0.63 -0.37 0.00 -0.39 0.00 0.00 57.03 55.30 2ai6 h ASP 11 Cb 1.28 -0.23 -0.37 0.00 0.68 0.00 0.00 39.33 40.69 2ai6 h ASP 11 CO 0.99 1.43 -0.75 -0.69 -1.61 0.00 0.00 179.24 178.61 2ai6 s VAL 12 N -3.20 0.12 -0.27 2.25 1.01 -1.26 -1.17 120.40 117.87 2ai6 s VAL 12 Ca -0.08 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2ai6 s VAL 12 Cb 0.07 -0.28 0.12 0.00 0.00 0.00 0.00 36.38 36.29 2ai6 s VAL 12 CO 0.90 0.18 0.27 -0.62 0.00 0.00 0.00 175.10 175.83 2ai6 s ASP 13 N 1.65 1.74 0.06 3.32 2.15 -0.86 -5.01 116.67 119.73 2ai6 s ASP 13 Ca -0.01 -0.66 0.03 0.00 0.43 0.00 0.00 52.55 52.34 2ai6 s ASP 13 Cb -0.13 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 42.89 2ai6 s ASP 13 CO -0.03 -0.38 -0.10 0.27 -0.17 0.00 0.00 175.17 174.76 2ai6 s ILE 14 N 2.34 0.75 -1.29 4.11 -4.36 -1.26 -3.51 121.20 117.97 2ai6 s ILE 14 Ca 0.09 -1.21 -0.06 0.00 -0.26 0.00 0.00 60.65 59.20 2ai6 s ILE 14 Cb -0.15 -0.83 0.15 0.00 1.25 0.00 0.00 42.46 42.88 2ai6 s ILE 14 CO -0.28 -0.36 2.16 -0.67 0.24 0.00 0.00 174.94 176.02 2ai6 n ASP 15 N 1.30 6.99 0.00 4.36 2.03 -0.39 -4.82 116.55 126.02 2ai6 n ASP 15 Ca -0.22 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 51.93 2ai6 n ASP 15 Cb 0.55 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 2ai6 n ASP 15 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ai6 n SER 16 N 2.33 0.00 0.30 1.67 7.64 -1.26 -3.23 113.62 121.06 2ai6 n SER 16 Ca 0.53 0.14 0.17 0.00 1.01 0.00 0.00 58.87 60.72 2ai6 n SER 16 Cb 0.29 -0.14 0.91 0.00 -1.01 0.00 0.00 64.21 64.26 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ai6 h ASP 17 N 0.00 0.00 -1.76 6.43 3.58 -1.98 -3.47 116.42 119.22 2ai6 h ASP 17 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2ai6 h ASP 17 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2ai6 h ASP 17 CO 0.00 0.04 0.34 0.61 -2.88 0.00 0.00 179.24 177.35 2ai6 n GLY 18 N -0.78 0.91 3.55 -0.78 0.00 -1.20 -5.05 105.19 101.84 2ai6 n GLY 18 Ca -0.02 -1.06 -0.42 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 -2.28 4.14 0.17 1.61 1.01 -1.26 -4.78 120.40 119.00 2ai6 s VAL 19 Ca 0.13 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 2ai6 s VAL 19 Cb -0.02 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 2ai6 s VAL 19 CO 0.03 -1.33 0.17 -0.36 0.00 0.00 0.00 175.10 173.62 2ai6 s PHE 20 N 4.62 0.78 0.58 5.22 0.08 -1.02 -5.00 117.98 123.25 2ai6 s PHE 20 Ca 0.36 -1.11 -0.08 0.00 0.12 0.00 0.00 56.93 56.22 2ai6 s PHE 20 Cb -0.10 -0.34 -0.02 0.00 -0.57 0.00 0.00 43.02 42.00 2ai6 s PHE 20 CO 0.21 -0.64 0.92 0.15 -0.10 0.00 0.00 175.22 175.76 2ai6 s LYS 21 N -4.05 3.27 0.24 0.44 1.02 -1.26 -0.89 119.74 118.51 2ai6 s LYS 21 Ca 0.26 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.52 2ai6 s LYS 21 Cb 0.06 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 2ai6 s LYS 21 CO 0.05 -0.56 0.28 1.52 -0.92 0.00 0.00 175.35 175.72 2ai6 s TYR 22 N -3.01 0.99 0.03 3.18 1.13 -0.19 -2.56 117.35 116.92 2ai6 s TYR 22 Ca 0.53 -1.22 -0.04 0.00 -1.41 0.00 0.00 57.07 54.92 2ai6 s TYR 22 Cb -0.11 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.43 2ai6 s TYR 22 CO 0.48 -0.82 0.07 0.54 -2.51 0.00 0.00 175.55 173.31 2ai6 s VAL 23 N -3.93 0.13 -0.23 -3.49 0.11 -0.19 -2.60 120.40 110.20 2ai6 s VAL 23 Ca 0.34 -1.05 -0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2ai6 s VAL 23 Cb 0.04 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2ai6 s VAL 23 CO 0.14 -0.58 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.01 2ai6 s LEU 24 N -1.95 2.98 -0.06 2.54 2.96 -0.56 -2.66 118.68 121.93 2ai6 s LEU 24 Ca -0.08 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 52.99 2ai6 s LEU 24 Cb -0.03 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 2ai6 s LEU 24 CO -0.03 -0.11 -0.19 0.27 -1.32 0.00 0.00 176.35 174.97 2ai6 s ILE 25 N 1.29 1.62 0.41 6.68 -4.36 -0.83 -0.64 121.20 125.36 2ai6 s ILE 25 Ca 0.00 -0.80 -0.23 0.00 -0.26 0.00 0.00 60.65 59.36 2ai6 s ILE 25 Cb -0.16 -1.40 -0.10 0.00 1.25 0.00 0.00 42.46 42.05 2ai6 s ILE 25 CO -0.06 0.46 0.99 -0.60 0.24 0.00 0.00 174.94 175.97 2ai6 s ARG 26 N 0.16 4.23 0.00 0.37 3.52 0.55 -0.84 118.95 126.94 2ai6 s ARG 26 Ca -0.08 1.31 0.02 0.00 -0.13 0.00 0.00 55.73 56.85 2ai6 s ARG 26 Cb -0.14 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2ai6 s ARG 26 CO 0.04 -0.05 -0.07 0.08 -0.81 0.00 0.00 175.30 174.49 2ai6 s VAL 27 N -1.88 0.56 -0.01 7.11 1.01 0.74 -1.50 120.40 126.43 2ai6 s VAL 27 Ca 0.59 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.24 2ai6 s VAL 27 Cb -0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 2ai6 s VAL 27 CO 0.20 0.09 -0.21 -1.00 0.00 0.00 0.00 175.10 174.19 2ai6 s HIS 28 N -0.31 2.49 -0.36 5.22 0.09 0.01 -1.39 115.29 121.04 2ai6 s HIS 28 Ca 0.01 -0.31 -0.28 0.00 -0.00 0.00 0.00 55.06 54.49 2ai6 s HIS 28 Cb -0.04 -1.52 -0.04 0.00 -0.00 0.00 0.00 32.58 30.98 2ai6 s HIS 28 CO -0.00 0.10 2.06 -1.12 -0.00 0.00 0.00 174.74 175.78 2ai6 s SER 29 N -0.86 5.41 0.00 1.40 0.01 0.13 -3.56 113.70 116.22 2ai6 s SER 29 Ca 0.11 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2ai6 s SER 29 Cb -0.10 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2ai6 s SER 29 CO 0.01 -2.09 0.57 0.00 0.41 0.00 0.00 173.24 172.14 2ai6 n ALA 30 N 12.08 1.74 -1.50 1.44 0.00 -1.26 -4.46 120.51 128.55 2ai6 n ALA 30 Ca 0.27 -0.35 -0.54 0.00 0.00 0.00 0.00 53.44 52.83 2ai6 n ALA 30 Cb 0.48 -0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 0.32 -3.01 0.00 -0.02 -1.26 -1.71 135.00 129.31 2ai6 n PRO 31 Ca 0.00 0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2ai6 n PRO 31 Cb 0.56 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 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 1.49 -2.49 -2.41 -0.52 3.00 0.37 -1.76 116.66 114.35 2ai6 n ARG 32 Ca 0.18 0.13 -0.14 0.00 -0.01 0.00 0.00 57.85 58.01 2ai6 n ARG 32 Cb 0.16 -4.67 -0.01 0.00 0.00 0.00 0.00 32.46 27.95 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2ai6 n SER 33 N -1.80 -4.20 0.00 0.55 7.64 -0.70 -4.76 113.62 110.35 2ai6 n SER 33 Ca 0.01 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2ai6 n SER 33 Cb 0.50 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 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 -0.82 1.00 3.67 0.23 0.00 -0.72 -5.12 105.19 103.43 2ai6 n GLY 34 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 0.87 1.96 4.61 0.00 -0.98 -4.91 120.51 122.06 2ai6 n ALA 35 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2ai6 n ALA 35 Cb 0.24 -2.21 0.80 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.49 1.05 -4.13 0.00 -0.04 -1.26 -4.91 135.00 125.22 2ai6 n PRO 36 Ca 0.10 -0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 2ai6 n PRO 36 Cb 0.43 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 2ai6 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ai6 s ALA 37 N -2.00 1.01 -0.17 0.55 0.00 -1.26 -5.07 121.76 114.82 2ai6 s ALA 37 Ca 0.41 -1.64 0.21 0.00 0.00 0.00 0.00 51.96 50.94 2ai6 s ALA 37 Cb 0.19 1.21 0.47 0.00 0.00 0.00 0.00 23.12 24.99 2ai6 s ALA 37 CO 0.32 -0.77 1.15 0.00 0.00 0.00 0.00 175.76 176.46 2ai6 n ALA 38 N -0.59 2.89 -1.17 0.00 0.00 -1.26 -4.61 120.51 115.77 2ai6 n ALA 38 Ca 0.02 -2.78 -0.29 0.00 0.00 0.00 0.00 53.44 50.39 2ai6 n ALA 38 Cb 0.62 -0.72 0.18 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.43 0.29 0.06 0.00 2.02 -1.26 -4.67 118.70 112.72 2ai6 s GLU 39 Ca 0.33 0.46 -0.00 0.00 0.02 0.00 0.00 54.97 55.78 2ai6 s GLU 39 Cb 0.36 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.82 2ai6 s GLU 39 CO -0.08 -2.81 -0.04 -1.12 0.02 0.00 0.00 175.26 171.23 2ai6 s SER 40 N -3.48 0.66 0.20 -0.19 0.01 -1.26 -0.69 113.70 108.95 2ai6 s SER 40 Ca 0.66 -0.95 -0.17 0.00 1.31 0.00 0.00 55.95 56.80 2ai6 s SER 40 Cb -0.18 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.23 2ai6 s SER 40 CO 0.58 -0.53 0.51 -1.59 0.41 0.00 0.00 173.24 172.61 2ai6 s LYS 41 N -3.66 1.40 0.21 12.44 0.00 -0.49 -4.99 119.74 124.65 2ai6 s LYS 41 Ca 0.06 -0.93 0.07 0.00 0.00 0.00 0.00 55.97 55.17 2ai6 s LYS 41 Cb 0.06 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.36 2ai6 s LYS 41 CO -0.08 -0.59 0.08 -1.21 0.00 0.00 0.00 175.35 173.55 2ai6 s GLU 42 N -3.90 2.63 0.08 1.78 8.01 -1.26 -0.18 118.70 125.86 2ai6 s GLU 42 Ca 0.11 -1.09 0.01 0.00 0.01 0.00 0.00 54.97 54.01 2ai6 s GLU 42 Cb -0.01 -2.44 -0.04 0.00 -4.31 0.00 0.00 34.13 27.33 2ai6 s GLU 42 CO -0.01 0.43 -0.06 0.96 0.01 0.00 0.00 175.26 176.60 2ai6 s ILE 43 N -1.94 0.54 -0.16 -1.63 -4.36 -0.02 -4.95 121.20 108.68 2ai6 s ILE 43 Ca 0.30 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2ai6 s ILE 43 Cb -0.09 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.12 2ai6 s ILE 43 CO 0.21 -0.86 -0.14 -0.69 0.24 0.00 0.00 174.94 173.70 2ai6 s VAL 44 N -3.48 1.61 0.02 8.37 1.01 -0.32 -1.97 120.40 125.63 2ai6 s VAL 44 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2ai6 s VAL 44 Cb 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2ai6 s VAL 44 CO -0.06 0.42 -0.03 -0.13 0.00 0.00 0.00 175.10 175.30 2ai6 s ARG 45 N 1.46 0.29 -0.30 2.72 1.81 -1.09 -2.02 118.95 121.82 2ai6 s ARG 45 Ca 0.04 -0.53 -0.22 0.00 -1.72 0.00 0.00 55.73 53.30 2ai6 s ARG 45 Cb -0.13 0.05 0.21 0.00 -0.45 0.00 0.00 34.95 34.63 2ai6 s ARG 45 CO -0.10 -0.03 1.43 0.20 -0.68 0.00 0.00 175.30 176.11 2ai6 s GLY 46 N -1.25 0.53 0.06 -3.53 0.00 -1.23 -1.02 107.32 100.89 2ai6 s GLY 46 Ca -0.13 3.75 -0.17 0.00 0.00 0.00 0.00 44.72 48.17 2ai6 s GLY 46 CO -0.01 2.26 0.40 -0.19 0.00 0.00 0.00 173.10 175.56 2ai6 s TYR 47 N 0.35 -0.24 0.40 1.90 1.51 -1.06 -1.26 117.35 118.95 2ai6 s TYR 47 Ca 0.02 0.12 0.13 0.00 -1.01 0.00 0.00 57.07 56.34 2ai6 s TYR 47 Cb -0.04 0.22 0.96 0.00 -0.11 0.00 0.00 41.96 42.99 2ai6 s TYR 47 CO -0.14 -0.60 1.88 1.57 -1.11 0.00 0.00 175.55 177.16 2ai6 h LYS 48 N 2.87 0.51 0.00 -0.62 2.10 -1.89 -2.04 116.57 117.49 2ai6 h LYS 48 Ca -0.32 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.23 2ai6 h LYS 48 Cb 1.22 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2ai6 h LYS 48 CO 0.45 0.34 -0.32 0.11 -2.00 0.00 0.00 179.45 178.03 2ai6 h TRP 49 N 0.53 0.00 -1.64 0.07 5.08 -1.97 -3.34 115.95 114.67 2ai6 h TRP 49 Ca 0.42 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.68 2ai6 h TRP 49 Cb 0.86 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.89 2ai6 h TRP 49 CO -0.00 0.32 1.69 0.00 -1.28 0.00 0.00 178.44 179.16 2ai6 s ALA 50 N -3.66 3.71 -1.08 0.11 0.00 -0.77 -4.78 121.76 115.29 2ai6 s ALA 50 Ca 0.00 -3.16 0.07 0.00 0.00 0.00 0.00 51.96 48.87 2ai6 s ALA 50 Cb 0.11 -4.34 0.31 0.00 0.00 0.00 0.00 23.12 19.20 2ai6 s ALA 50 CO 0.67 -3.00 1.19 0.39 0.00 0.00 0.00 175.76 175.01 2ai6 n GLU 51 N 6.79 0.02 -3.84 0.00 1.02 -1.26 -4.48 120.64 118.90 2ai6 n GLU 51 Ca 0.41 0.35 -0.12 0.00 -0.02 0.00 0.00 57.16 57.78 2ai6 n GLU 51 Cb 0.44 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.92 -0.11 0.48 -0.32 1.13 -1.26 -5.01 117.35 109.34 2ai6 s TYR 52 Ca 0.04 0.26 0.15 0.00 -1.41 0.00 0.00 57.07 56.11 2ai6 s TYR 52 Cb 0.05 0.03 1.12 0.00 -1.10 0.00 0.00 41.96 42.05 2ai6 s TYR 52 CO 0.12 -0.13 2.06 0.45 -2.51 0.00 0.00 175.55 175.55 2ai6 h HIS 53 N 5.52 0.01 -0.12 -3.49 3.86 -1.88 -1.22 115.15 117.83 2ai6 h HIS 53 Ca -0.26 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.97 2ai6 h HIS 53 Cb 1.20 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 2ai6 h HIS 53 CO 0.45 0.10 0.08 0.00 0.86 0.00 0.00 177.93 179.43 2ai6 h ALA 54 N 1.90 2.05 -0.12 2.45 0.00 -1.96 -0.52 119.26 123.05 2ai6 h ALA 54 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2ai6 h ALA 54 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ai6 h ALA 54 CO 0.01 -0.07 -0.03 0.22 0.00 0.00 0.00 179.25 179.38 2ai6 h ASP 55 N 0.05 0.24 -0.35 0.00 3.58 -1.60 -1.07 116.42 117.27 2ai6 h ASP 55 Ca 0.05 -0.37 -0.13 0.00 0.42 0.00 0.00 57.03 57.00 2ai6 h ASP 55 Cb 0.15 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2ai6 h ASP 55 CO -0.00 0.56 -0.25 0.16 -2.88 0.00 0.00 179.24 176.82 2ai6 h ILE 56 N -0.08 1.27 -0.40 2.25 3.07 -1.61 -0.88 117.51 121.13 2ai6 h ILE 56 Ca 0.03 -1.40 0.02 0.00 1.55 0.00 0.00 64.86 65.06 2ai6 h ILE 56 Cb 0.45 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 38.20 2ai6 h ILE 56 CO 0.01 0.47 0.23 0.22 -1.05 0.00 0.00 178.15 178.04 2ai6 h TYR 57 N 0.74 0.43 0.02 0.16 3.20 -0.95 0.15 116.97 120.72 2ai6 h TYR 57 Ca 0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2ai6 h TYR 57 Cb 0.80 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2ai6 h TYR 57 CO 0.05 0.25 -0.01 0.22 -1.64 0.00 0.00 178.16 177.03 2ai6 h ASP 58 N 0.47 -0.02 -0.29 -2.11 3.58 -1.10 -0.38 116.42 116.57 2ai6 h ASP 58 Ca 0.16 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2ai6 h ASP 58 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 58 CO -0.08 0.22 0.17 0.50 -2.88 0.00 0.00 179.24 177.17 2ai6 h LYS 59 N -0.26 0.40 -0.13 0.28 3.64 -0.97 -0.58 116.57 118.95 2ai6 h LYS 59 Ca -0.00 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 2ai6 h LYS 59 Cb 0.25 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2ai6 h LYS 59 CO 0.00 0.33 -0.68 0.28 -2.27 0.00 0.00 179.45 177.12 2ai6 h VAL 60 N 0.36 1.34 0.00 2.00 2.07 -0.73 -0.08 116.25 121.22 2ai6 h VAL 60 Ca 0.10 -2.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2ai6 h VAL 60 Cb 0.04 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2ai6 h VAL 60 CO -0.02 0.61 -0.09 0.28 0.02 0.00 0.00 177.57 178.37 2ai6 h SER 61 N 0.38 0.00 -0.06 0.57 0.02 -0.87 0.79 113.55 114.38 2ai6 h SER 61 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2ai6 h SER 61 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2ai6 h SER 61 CO 0.13 0.09 -0.01 1.23 -1.14 0.00 0.00 176.83 177.12 2ai6 h GLY 62 N 0.28 0.11 0.71 -3.77 0.00 -0.16 -0.18 103.07 100.05 2ai6 h GLY 62 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.29 2ai6 h GLY 62 CO 0.01 0.08 0.33 -1.80 0.00 0.00 0.00 176.54 175.16 2ai6 h ASP 63 N -0.23 0.48 -0.37 0.19 3.58 -0.48 0.11 116.42 119.70 2ai6 h ASP 63 Ca 0.01 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2ai6 h ASP 63 Cb 0.39 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2ai6 h ASP 63 CO 0.01 0.32 -0.25 0.24 -2.88 0.00 0.00 179.24 176.67 2ai6 h MET 64 N 0.62 0.82 0.00 0.28 2.86 -0.88 -2.17 114.93 116.45 2ai6 h MET 64 Ca 0.27 -0.39 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 2ai6 h MET 64 Cb 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2ai6 h MET 64 CO -0.17 1.02 -0.46 1.96 1.06 0.00 0.00 176.91 180.33 2ai6 h GLN 65 N 0.61 0.00 -0.63 1.72 4.20 -0.60 0.13 115.11 120.54 2ai6 h GLN 65 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2ai6 h GLN 65 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2ai6 h GLN 65 CO 0.07 0.46 0.35 -0.22 -0.67 0.00 0.00 178.83 178.82 2ai6 h LYS 66 N 0.00 0.88 -0.59 1.46 3.64 -0.70 -1.87 116.57 119.39 2ai6 h LYS 66 Ca -0.00 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2ai6 h LYS 66 Cb 0.82 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2ai6 h LYS 66 CO 0.06 0.66 0.22 1.96 -2.27 0.00 0.00 179.45 180.08 2ai6 h GLN 67 N 0.86 0.86 0.00 1.90 1.08 -0.70 -3.46 115.11 115.65 2ai6 h GLN 67 Ca 0.22 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2ai6 h GLN 67 Cb 0.03 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2ai6 h GLN 67 CO -0.04 0.72 0.00 0.41 -0.95 0.00 0.00 178.83 178.97 2ai6 n GLY 68 N -1.00 0.47 3.69 3.46 0.00 0.23 -0.48 105.19 111.56 2ai6 n GLY 68 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.13 2.13 0.21 0.00 2.15 -1.23 -3.97 116.67 111.83 2ai6 s ASP 70 Ca 0.71 -0.69 -0.09 0.00 0.43 0.00 0.00 52.55 52.91 2ai6 s ASP 70 Cb -0.09 -0.09 -0.01 0.00 -0.30 0.00 0.00 42.92 42.42 2ai6 s ASP 70 CO 0.55 -0.03 0.34 0.00 -0.17 0.00 0.00 175.17 175.86 2ai6 s GLU 72 N -4.04 0.49 -0.10 0.00 2.12 -0.56 -4.99 118.70 111.62 2ai6 s GLU 72 Ca 0.25 1.05 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 2ai6 s GLU 72 Cb 0.02 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 2ai6 s GLU 72 CO 0.07 -0.18 1.62 0.00 -0.54 0.00 0.00 175.26 176.23 2ai6 h LEU 74 N 10.57 0.00 0.00 0.00 3.38 -1.23 -3.48 115.31 124.56 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 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 74 CO 0.96 0.45 0.00 0.61 0.09 0.00 0.00 178.44 180.55 2ai6 n GLY 75 N 0.39 -1.51 1.32 0.83 0.00 -1.21 -4.65 105.19 100.36 2ai6 n GLY 75 Ca -0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.12 2.68 0.00 -0.02 0.00 -1.13 -1.50 105.19 105.11 2ai6 n GLY 76 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.22 -0.59 3.26 -0.02 0.00 -1.07 -1.87 105.19 104.68 2ai6 n GLY 77 Ca 0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.11 1.07 -0.15 1.61 3.52 0.54 -1.02 118.95 124.41 2ai6 s ARG 78 Ca 0.00 -1.23 -0.04 0.00 -0.13 0.00 0.00 55.73 54.33 2ai6 s ARG 78 Cb 0.00 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.30 2ai6 s ARG 78 CO 0.00 0.22 -0.03 0.42 -0.81 0.00 0.00 175.30 175.10 2ai6 s ILE 79 N -1.88 3.98 0.07 4.11 1.01 -0.07 -2.27 121.20 126.16 2ai6 s ILE 79 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2ai6 s ILE 79 Cb -0.06 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2ai6 s ILE 79 CO 0.04 0.50 -0.12 -0.44 0.00 0.00 0.00 174.94 174.91 2ai6 s SER 80 N 0.29 1.51 0.03 3.58 0.01 0.04 -2.42 113.70 116.73 2ai6 s SER 80 Ca -0.03 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2ai6 s SER 80 Cb -0.14 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2ai6 s SER 80 CO 0.03 -0.13 0.00 1.57 0.41 0.00 0.00 173.24 175.12 2ai6 n HIS 81 N 1.19 -2.32 -1.59 2.43 -0.00 -1.26 -0.73 115.22 112.94 2ai6 n HIS 81 Ca -0.21 0.09 -0.08 0.00 -0.00 0.00 0.00 57.72 57.52 2ai6 n HIS 81 Cb 0.55 0.69 -0.02 0.00 -0.00 0.00 0.00 29.99 31.20 2ai6 n HIS 81 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2ai6 n GLN 82 N -2.56 -1.57 -2.20 1.57 3.00 -1.26 -1.63 117.38 112.73 2ai6 n GLN 82 Ca 0.00 0.44 -0.10 0.00 -0.01 0.00 0.00 57.00 57.33 2ai6 n GLN 82 Cb 0.00 -4.70 -0.01 0.00 0.00 0.00 0.00 30.24 25.52 2ai6 n GLN 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2ai6 n SER 83 N -0.42 -3.21 0.04 1.08 7.64 -1.26 -4.86 113.62 112.63 2ai6 n SER 83 Ca -0.08 0.25 -0.04 0.00 1.01 0.00 0.00 58.87 60.01 2ai6 n SER 83 Cb 0.35 -2.83 0.18 0.00 -1.01 0.00 0.00 64.21 60.90 2ai6 n SER 83 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2ai6 h GLN 84 N 0.00 0.41 -2.29 1.43 3.07 -1.62 -3.47 115.11 112.63 2ai6 h GLN 84 Ca -0.23 -0.19 0.21 0.00 0.09 0.00 0.00 58.65 58.53 2ai6 h GLN 84 Cb 1.06 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 28.56 2ai6 h GLN 84 CO 0.29 0.73 0.62 0.34 0.09 0.00 0.00 178.83 180.89 2ai6 s ASP 85 N -6.85 -0.05 -0.93 0.06 2.15 -1.26 -5.03 116.67 104.75 2ai6 s ASP 85 Ca -0.06 -0.48 -0.06 0.00 0.43 0.00 0.00 52.55 52.38 2ai6 s ASP 85 Cb 0.13 0.42 -0.06 0.00 -0.30 0.00 0.00 42.92 43.11 2ai6 s ASP 85 CO 0.79 -0.81 2.19 2.29 -0.17 0.00 0.00 175.17 179.47 2ai6 n LYS 86 N -0.62 2.17 -3.74 4.34 2.85 -1.26 -4.77 118.16 117.13 2ai6 n LYS 86 Ca -0.04 -1.47 -0.13 0.00 -1.05 0.00 0.00 58.31 55.61 2ai6 n LYS 86 Cb 0.60 -2.44 -0.09 0.00 -0.65 0.00 0.00 35.03 32.44 2ai6 n LYS 86 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2ai6 s LYS 87 N 3.22 0.57 0.10 -1.58 2.20 -1.26 -4.05 119.74 118.93 2ai6 s LYS 87 Ca 0.42 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.31 2ai6 s LYS 87 Cb 0.11 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 2ai6 s LYS 87 CO -0.03 -0.12 -0.11 0.42 -0.36 0.00 0.00 175.35 175.15 2ai6 s ILE 88 N -0.46 1.02 0.04 5.43 1.01 -1.18 -4.73 121.20 122.32 2ai6 s ILE 88 Ca -0.06 -1.63 0.03 0.00 0.00 0.00 0.00 60.65 58.99 2ai6 s ILE 88 Cb -0.04 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2ai6 s ILE 88 CO 0.02 -0.51 -0.10 -2.28 0.00 0.00 0.00 174.94 172.08 2ai6 s HIS 89 N -2.31 0.83 -0.14 3.97 2.46 0.09 -1.96 115.29 118.23 2ai6 s HIS 89 Ca 0.05 -0.42 -0.02 0.00 0.47 0.00 0.00 55.06 55.15 2ai6 s HIS 89 Cb -0.04 -0.49 0.04 0.00 -0.13 0.00 0.00 32.58 31.97 2ai6 s HIS 89 CO 0.01 -0.03 0.01 0.08 -2.47 0.00 0.00 174.74 172.34 2ai6 s VAL 90 N -1.12 0.53 0.31 0.89 1.01 -0.39 -0.78 120.40 120.87 2ai6 s VAL 90 Ca -0.05 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 2ai6 s VAL 90 Cb -0.09 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2ai6 s VAL 90 CO 0.01 0.03 0.72 -0.72 0.00 0.00 0.00 175.10 175.14 2ai6 s TYR 91 N 1.88 -0.03 -3.52 5.22 1.13 -0.96 -2.86 117.35 118.21 2ai6 s TYR 91 Ca 0.02 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 2ai6 s TYR 91 Cb -0.15 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 2ai6 s TYR 91 CO -0.07 -1.33 0.00 0.41 -2.51 0.00 0.00 175.55 172.05 2ai6 n GLY 92 N -0.48 0.81 3.34 5.49 0.00 -0.24 -0.34 105.19 113.77 2ai6 n GLY 92 Ca -0.05 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 2ai6 n GLY 92 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ai6 s TYR 93 N -1.73 -0.30 -0.22 1.61 5.04 -1.20 -4.44 117.35 116.12 2ai6 s TYR 93 Ca 0.00 0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.85 2ai6 s TYR 93 Cb 0.00 0.24 0.08 0.00 0.35 0.00 0.00 41.96 42.63 2ai6 s TYR 93 CO 0.00 -0.59 0.10 -1.12 -1.34 0.00 0.00 175.55 172.60 2ai6 s SER 94 N -2.01 2.88 0.55 4.32 0.01 -1.24 -4.56 113.70 113.65 2ai6 s SER 94 Ca -0.05 -0.91 0.24 0.00 1.31 0.00 0.00 55.95 56.55 2ai6 s SER 94 Cb -0.01 -0.34 1.45 0.00 0.21 0.00 0.00 66.02 67.34 2ai6 s SER 94 CO -0.02 -0.38 2.06 0.00 0.41 0.00 0.00 173.24 175.31 2ai6 h MET 95 N 8.38 0.00 0.00 12.44 -0.00 -1.98 0.19 114.93 133.97 2ai6 h MET 95 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.49 2ai6 h MET 95 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.69 2ai6 h MET 95 CO 0.35 0.00 -0.18 0.00 -0.00 0.00 0.00 176.91 177.08 2ai6 h ALA 96 N 1.80 0.90 0.00 -3.00 0.00 -2.04 -3.39 119.26 113.53 2ai6 h ALA 96 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ai6 h ALA 96 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ai6 h ALA 96 CO -0.00 0.23 0.00 0.66 0.00 0.00 0.00 179.25 180.14 2ai6 n TYR 97 N -3.17 0.00 0.00 0.00 4.01 -0.49 -5.16 117.16 112.34 2ai6 n TYR 97 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2ai6 n TYR 97 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.17 -1.54 3.77 2.72 0.00 0.57 -4.46 105.19 106.42 2ai6 n GLY 98 Ca 0.00 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.87 4.17 0.94 1.61 0.04 -1.26 -2.84 135.00 135.78 2ai6 s PRO 99 Ca 0.00 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 2ai6 s PRO 99 Cb 0.00 -2.65 0.15 0.00 0.04 0.00 0.00 34.50 32.04 2ai6 s PRO 99 CO 0.00 -0.17 1.10 0.00 0.04 0.00 0.00 177.00 177.97 2ai6 s ALA 100 N -1.52 1.37 0.37 8.56 0.00 -0.78 -4.53 121.76 125.22 2ai6 s ALA 100 Ca 0.56 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.35 2ai6 s ALA 100 Cb -0.26 -3.13 0.72 0.00 0.00 0.00 0.00 23.12 20.45 2ai6 s ALA 100 CO 0.33 -2.51 1.86 1.96 0.00 0.00 0.00 175.76 177.39 2ai6 h GLN 101 N -1.66 0.17 0.00 0.00 7.50 -1.92 -3.47 115.11 115.73 2ai6 h GLN 101 Ca -0.52 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.58 2ai6 h GLN 101 Cb 1.31 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.82 2ai6 h GLN 101 CO 0.57 0.41 0.00 0.72 -1.50 0.00 0.00 178.83 179.03 2ai6 n HIS 102 N -4.19 0.00 -0.04 2.96 8.25 -1.26 -4.59 115.22 116.34 2ai6 n HIS 102 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2ai6 n HIS 102 Cb 0.34 0.00 0.36 0.00 1.12 0.00 0.00 29.99 31.81 2ai6 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ai6 h ALA 103 N 0.00 1.59 0.38 -1.41 0.00 -1.91 -1.54 119.26 116.36 2ai6 h ALA 103 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ai6 h ALA 103 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ai6 h ALA 103 CO 0.00 0.35 -0.23 0.82 0.00 0.00 0.00 179.25 180.20 2ai6 h ILE 104 N 0.64 0.53 -0.28 0.00 1.08 -2.00 -2.77 117.51 114.71 2ai6 h ILE 104 Ca 0.17 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.70 2ai6 h ILE 104 Cb 0.01 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.23 2ai6 h ILE 104 CO -0.03 0.00 -0.10 0.28 -0.69 0.00 0.00 178.15 177.61 2ai6 h SER 105 N -0.57 -0.36 -0.79 1.72 0.02 -1.73 -1.65 113.55 110.18 2ai6 h SER 105 Ca -0.04 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2ai6 h SER 105 Cb 0.47 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2ai6 h SER 105 CO 0.05 -0.13 0.47 0.71 -1.14 0.00 0.00 176.83 176.78 2ai6 h THR 106 N -0.05 1.22 -0.32 -2.27 1.35 -1.30 0.16 112.91 111.69 2ai6 h THR 106 Ca 0.14 -0.50 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 2ai6 h THR 106 Cb 0.27 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 2ai6 h THR 106 CO -0.32 0.24 0.10 -0.33 -0.25 0.00 0.00 175.52 174.95 2ai6 h GLU 107 N 1.08 0.50 -0.44 4.72 4.39 -1.13 0.26 114.58 123.96 2ai6 h GLU 107 Ca 0.28 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 2ai6 h GLU 107 Cb -0.03 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2ai6 h GLU 107 CO -0.05 0.54 0.10 0.87 -1.16 0.00 0.00 179.01 179.31 2ai6 h LYS 108 N 0.36 0.71 -0.35 2.33 1.79 -0.97 -1.99 116.57 118.45 2ai6 h LYS 108 Ca 0.10 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2ai6 h LYS 108 Cb 0.25 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2ai6 h LYS 108 CO -0.00 0.72 0.15 0.82 -1.08 0.00 0.00 179.45 180.06 2ai6 h ILE 109 N 0.58 1.18 0.00 1.86 2.04 -0.56 -0.63 117.51 121.98 2ai6 h ILE 109 Ca 0.14 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2ai6 h ILE 109 Cb 0.33 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2ai6 h ILE 109 CO 0.00 0.19 -0.14 0.11 0.00 0.00 0.00 178.15 178.32 2ai6 h LYS 110 N 0.43 0.00 -0.24 2.37 1.57 -0.80 0.12 116.57 120.01 2ai6 h LYS 110 Ca 0.12 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2ai6 h LYS 110 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2ai6 h LYS 110 CO -0.01 0.14 -0.22 0.00 -0.57 0.00 0.00 179.45 178.79 2ai6 h ALA 111 N 1.86 0.35 0.00 3.86 0.00 -0.76 -3.28 119.26 121.30 2ai6 h ALA 111 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2ai6 h ALA 111 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ai6 h ALA 111 CO 0.02 0.31 -0.40 -0.22 0.00 0.00 0.00 179.25 178.96 2ai6 h LYS 112 N 0.29 0.00 -6.55 0.00 1.63 -0.27 -3.48 116.57 108.19 2ai6 h LYS 112 Ca 0.04 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.33 2ai6 h LYS 112 Cb 0.77 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2ai6 h LYS 112 CO 0.06 0.40 -0.94 0.66 -3.45 0.00 0.00 179.45 176.17 2ai6 n TYR 113 N -3.61 -1.65 0.33 1.91 4.01 0.33 -4.90 117.16 113.57 2ai6 n TYR 113 Ca -0.01 0.47 0.15 0.00 -0.16 0.00 0.00 57.90 58.36 2ai6 n TYR 113 Cb 0.51 -3.33 0.58 0.00 -0.31 0.00 0.00 39.34 36.78 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ai6 h PRO 114 N -2.03 0.00 -4.33 -0.72 0.13 -1.94 -3.45 132.00 119.66 2ai6 h PRO 114 Ca -0.67 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.15 2ai6 h PRO 114 Cb 1.38 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.41 2ai6 h PRO 114 CO 0.56 0.00 -0.29 0.34 -0.23 0.00 0.00 178.00 178.38 2ai6 s ASP 115 N -5.24 1.04 0.01 1.44 -1.08 -1.26 -5.00 116.67 106.57 2ai6 s ASP 115 Ca 0.03 -1.53 -0.24 0.00 -0.52 0.00 0.00 52.55 50.28 2ai6 s ASP 115 Cb 0.09 0.62 -0.18 0.00 -1.46 0.00 0.00 42.92 41.99 2ai6 s ASP 115 CO 0.51 -1.21 1.39 0.22 0.52 0.00 0.00 175.17 176.60 2ai6 h TYR 116 N 2.15 0.07 -2.91 -5.34 3.20 -1.88 -3.47 116.97 108.79 2ai6 h TYR 116 Ca -0.28 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 2ai6 h TYR 116 Cb 1.24 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 39.35 2ai6 h TYR 116 CO 1.44 0.42 0.13 -2.00 -1.64 0.00 0.00 178.16 176.52 2ai6 s GLU 117 N -4.71 1.18 0.17 1.82 2.12 -1.26 -4.99 118.70 113.04 2ai6 s GLU 117 Ca -0.15 -0.39 -0.01 0.00 0.36 0.00 0.00 54.97 54.79 2ai6 s GLU 117 Cb 0.03 0.54 -0.04 0.00 0.26 0.00 0.00 34.13 34.92 2ai6 s GLU 117 CO 0.68 -0.48 0.09 0.14 -0.54 0.00 0.00 175.26 175.16 2ai6 s VAL 118 N -3.25 0.10 0.22 3.70 -7.23 -1.26 -3.11 120.40 109.58 2ai6 s VAL 118 Ca -0.01 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2ai6 s VAL 118 Cb -0.00 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2ai6 s VAL 118 CO -0.08 -0.20 0.18 0.42 -0.31 0.00 0.00 175.10 175.10 2ai6 s THR 119 N -4.07 0.00 0.24 5.32 -4.23 -0.83 -4.97 115.64 107.10 2ai6 s THR 119 Ca 0.32 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 2ai6 s THR 119 Cb 0.07 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 2ai6 s THR 119 CO 0.08 0.00 0.24 -1.66 -0.54 0.00 0.00 174.62 172.73 2ai6 s TRP 120 N -4.04 1.10 -0.05 3.99 1.48 -1.26 -1.26 118.94 118.91 2ai6 s TRP 120 Ca 0.38 -1.30 -0.08 0.00 -1.06 0.00 0.00 56.10 54.04 2ai6 s TRP 120 Cb 0.06 -0.42 0.01 0.00 -1.16 0.00 0.00 33.47 31.96 2ai6 s TRP 120 CO 0.14 -0.77 0.20 0.00 -4.06 0.00 0.00 176.95 172.46 2ai6 s ALA 121 N -3.95 -0.48 -0.11 2.67 0.00 -1.14 -4.92 121.76 113.83 2ai6 s ALA 121 Ca 0.36 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2ai6 s ALA 121 Cb 0.04 -0.17 0.13 0.00 0.00 0.00 0.00 23.12 23.12 2ai6 s ALA 121 CO 0.14 -0.14 1.48 -1.71 0.00 0.00 0.00 175.76 175.53 2ai6 n ASN 122 N 2.39 4.09 -1.36 0.00 5.15 -1.26 -4.50 115.26 119.77 2ai6 n ASN 122 Ca -0.16 -2.47 -0.02 0.00 -0.60 0.00 0.00 54.58 51.32 2ai6 n ASN 122 Cb 0.57 -0.75 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ai6 n ASP 123 N 0.43 -0.35 0.00 1.20 -0.08 -1.26 -5.03 116.55 111.45 2ai6 n ASP 123 Ca 0.13 -1.33 0.00 0.00 -1.51 0.00 0.00 54.79 52.08 2ai6 n ASP 123 Cb 0.68 0.61 0.00 0.00 2.34 0.00 0.00 41.12 44.75 2ai6 n ASP 123 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ai6 n GLY 124 N -0.10 2.77 0.00 0.27 0.00 -1.26 -1.07 105.19 105.79 2ai6 n GLY 124 Ca -0.01 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60