#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 2.61 -0.13 -5.12 0.00 -1.26 -5.04 121.76 112.82 2ai6 s ALA 2 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2ai6 s ALA 2 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2ai6 s ALA 2 CO 0.00 -1.10 -0.12 0.08 0.00 0.00 0.00 175.76 174.62 2ai6 s VAL 3 N -1.58 1.37 1.22 0.00 1.01 -1.26 -4.91 120.40 116.24 2ai6 s VAL 3 Ca 0.76 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 2ai6 s VAL 3 Cb -0.30 -1.31 0.29 0.00 0.00 0.00 0.00 36.38 35.06 2ai6 s VAL 3 CO 0.33 0.42 1.11 0.00 0.00 0.00 0.00 175.10 176.97 2ai6 s ALA 4 N 1.52 0.59 0.07 5.51 0.00 -1.26 -5.07 121.76 123.11 2ai6 s ALA 4 Ca 0.04 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 2ai6 s ALA 4 Cb -0.13 -2.87 0.02 0.00 0.00 0.00 0.00 23.12 20.14 2ai6 s ALA 4 CO -0.09 -3.64 0.29 0.34 0.00 0.00 0.00 175.76 172.65 2ai6 s ASP 5 N -3.93 -0.07 0.55 0.00 2.15 -1.26 -4.73 116.67 109.37 2ai6 s ASP 5 Ca 0.71 -0.34 0.23 0.00 0.43 0.00 0.00 52.55 53.59 2ai6 s ASP 5 Cb -0.09 0.37 1.49 0.00 -0.30 0.00 0.00 42.92 44.39 2ai6 s ASP 5 CO 0.56 -0.68 2.14 -0.07 -0.17 0.00 0.00 175.17 176.95 2ai6 h LEU 6 N 2.97 0.00 -1.31 -1.34 3.38 -1.96 0.13 115.31 117.18 2ai6 h LEU 6 Ca -0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2ai6 h LEU 6 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2ai6 h LEU 6 CO 0.49 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.70 2ai6 h ALA 7 N 1.91 1.24 0.01 1.53 0.00 -2.01 -3.26 119.26 118.68 2ai6 h ALA 7 Ca 0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 2ai6 h ALA 7 Cb 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2ai6 h ALA 7 CO -0.00 0.40 -1.75 1.28 0.00 0.00 0.00 179.25 179.18 2ai6 n LEU 8 N -3.83 1.05 -4.68 0.00 4.77 0.36 -4.86 117.00 109.83 2ai6 n LEU 8 Ca -0.01 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 2ai6 n LEU 8 Cb 0.40 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2ai6 n LEU 8 CO 0.36 0.44 1.51 -0.38 -1.33 0.00 0.00 177.39 177.99 2ai6 n ILE 9 N -3.09 0.52 -1.65 -0.08 5.41 -0.64 -4.92 119.36 114.91 2ai6 n ILE 9 Ca -0.19 -0.09 -0.44 0.00 1.00 0.00 0.00 62.75 63.03 2ai6 n ILE 9 Cb 1.05 -2.13 -0.02 0.00 -0.71 0.00 0.00 39.64 37.83 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 6.34 1.81 0.10 0.38 -0.02 -1.26 -4.93 135.00 137.42 2ai6 n PRO 10 Ca 0.19 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 62.09 2ai6 n PRO 10 Cb 0.37 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 2ai6 n PRO 10 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2ai6 h ASP 11 N 3.04 0.65 -3.74 2.55 5.19 -1.92 -3.47 116.42 118.72 2ai6 h ASP 11 Ca -0.44 -0.80 -0.29 0.00 -0.62 0.00 0.00 57.03 54.87 2ai6 h ASP 11 Cb 1.30 -0.21 -0.30 0.00 0.18 0.00 0.00 39.33 40.30 2ai6 h ASP 11 CO 0.67 1.65 -0.74 -0.69 -3.12 0.00 0.00 179.24 177.02 2ai6 s VAL 12 N -2.60 0.20 -0.27 -1.35 1.01 -1.26 -1.38 120.40 114.74 2ai6 s VAL 12 Ca -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2ai6 s VAL 12 Cb 0.05 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.38 2ai6 s VAL 12 CO 0.89 0.08 0.52 -0.62 0.00 0.00 0.00 175.10 175.97 2ai6 s ASP 13 N 0.20 -0.74 0.02 3.32 2.15 -1.13 -5.02 116.67 115.47 2ai6 s ASP 13 Ca -0.02 0.84 -0.05 0.00 0.43 0.00 0.00 52.55 53.75 2ai6 s ASP 13 Cb -0.04 1.79 -0.01 0.00 -0.30 0.00 0.00 42.92 44.36 2ai6 s ASP 13 CO -0.01 -0.26 0.09 0.27 -0.17 0.00 0.00 175.17 175.09 2ai6 s ILE 14 N 2.75 0.11 -0.25 4.11 -4.36 -1.26 -3.91 121.20 118.38 2ai6 s ILE 14 Ca 0.11 -0.88 -0.03 0.00 -0.26 0.00 0.00 60.65 59.58 2ai6 s ILE 14 Cb -0.14 -0.56 0.14 0.00 1.25 0.00 0.00 42.46 43.15 2ai6 s ILE 14 CO -0.18 -0.48 0.45 -0.62 0.24 0.00 0.00 174.94 174.35 2ai6 s ASP 15 N -1.66 -0.33 0.13 4.36 2.15 -0.89 -5.02 116.67 115.41 2ai6 s ASP 15 Ca -0.12 0.59 -0.22 0.00 0.43 0.00 0.00 52.55 53.24 2ai6 s ASP 15 Cb -0.06 1.48 0.06 0.00 -0.30 0.00 0.00 42.92 44.11 2ai6 s ASP 15 CO -0.01 -0.27 0.56 -0.44 -0.17 0.00 0.00 175.17 174.83 2ai6 s SER 16 N 2.65 -0.49 0.09 -0.34 0.01 -1.26 -2.03 113.70 112.33 2ai6 s SER 16 Ca 0.11 -0.00 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 2ai6 s SER 16 Cb -0.15 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2ai6 s SER 16 CO -0.17 -0.90 0.30 -0.62 0.41 0.00 0.00 173.24 172.27 2ai6 s ASP 17 N -2.58 -0.09 1.26 2.44 2.15 -1.26 -4.96 116.67 113.63 2ai6 s ASP 17 Ca -0.00 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.59 2ai6 s ASP 17 Cb -0.00 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2ai6 s ASP 17 CO -0.10 -0.74 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 2ai6 n GLY 18 N 0.06 1.34 3.06 2.66 0.00 -1.26 -4.56 105.19 106.48 2ai6 n GLY 18 Ca -0.16 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.03 0.27 1.61 1.01 -1.26 -0.50 120.40 121.49 2ai6 s VAL 19 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2ai6 s VAL 19 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2ai6 s VAL 19 CO 0.00 0.05 0.51 -0.36 0.00 0.00 0.00 175.10 175.30 2ai6 s PHE 20 N 1.01 0.39 0.35 5.22 0.08 -0.56 -5.01 117.98 119.46 2ai6 s PHE 20 Ca -0.07 -0.76 0.04 0.00 0.12 0.00 0.00 56.93 56.25 2ai6 s PHE 20 Cb -0.09 0.23 -0.01 0.00 -0.57 0.00 0.00 43.02 42.58 2ai6 s PHE 20 CO -0.06 -1.06 0.51 0.15 -0.10 0.00 0.00 175.22 174.66 2ai6 s LYS 21 N -3.82 3.22 0.25 0.44 1.02 -1.26 -0.56 119.74 119.03 2ai6 s LYS 21 Ca 0.22 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.43 2ai6 s LYS 21 Cb -0.01 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2ai6 s LYS 21 CO 0.10 0.06 0.33 1.52 -0.92 0.00 0.00 175.35 176.44 2ai6 s TYR 22 N -2.26 0.86 0.04 3.18 1.13 -0.51 -3.41 117.35 116.37 2ai6 s TYR 22 Ca 0.43 -1.12 -0.04 0.00 -1.41 0.00 0.00 57.07 54.92 2ai6 s TYR 22 Cb -0.10 -0.19 -0.01 0.00 -1.10 0.00 0.00 41.96 40.56 2ai6 s TYR 22 CO 0.33 -0.87 0.07 0.54 -2.51 0.00 0.00 175.55 173.11 2ai6 s VAL 23 N -3.89 0.14 -0.18 -3.49 0.11 -0.28 -2.61 120.40 110.21 2ai6 s VAL 23 Ca 0.31 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2ai6 s VAL 23 Cb 0.03 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2ai6 s VAL 23 CO 0.13 -0.63 -0.17 -0.22 -3.33 0.00 0.00 175.10 170.88 2ai6 s LEU 24 N -2.14 2.29 -0.07 2.54 2.96 -0.58 -2.61 118.68 121.07 2ai6 s LEU 24 Ca -0.05 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2ai6 s LEU 24 Cb -0.01 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.15 2ai6 s LEU 24 CO -0.05 0.01 -0.19 0.27 -1.32 0.00 0.00 176.35 175.07 2ai6 s ILE 25 N 1.26 1.62 0.40 6.68 -4.36 -0.77 -0.57 121.20 125.45 2ai6 s ILE 25 Ca 0.04 -0.79 -0.24 0.00 -0.26 0.00 0.00 60.65 59.40 2ai6 s ILE 25 Cb -0.14 -1.41 -0.09 0.00 1.25 0.00 0.00 42.46 42.07 2ai6 s ILE 25 CO -0.10 0.46 1.03 -0.60 0.24 0.00 0.00 174.94 175.98 2ai6 s ARG 26 N 0.29 4.20 -0.10 0.37 3.52 0.22 -0.87 118.95 126.59 2ai6 s ARG 26 Ca -0.12 1.46 -0.00 0.00 -0.13 0.00 0.00 55.73 56.94 2ai6 s ARG 26 Cb -0.15 -2.53 0.02 0.00 -1.56 0.00 0.00 34.95 30.73 2ai6 s ARG 26 CO 0.05 -0.10 -0.06 0.08 -0.81 0.00 0.00 175.30 174.46 2ai6 s VAL 27 N -1.70 0.88 0.22 7.11 1.01 0.58 -2.09 120.40 126.41 2ai6 s VAL 27 Ca 0.58 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 2ai6 s VAL 27 Cb -0.21 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.18 2ai6 s VAL 27 CO 0.26 0.34 0.56 -1.00 0.00 0.00 0.00 175.10 175.26 2ai6 s HIS 28 N 1.65 3.45 -0.68 5.22 0.09 -0.18 -1.27 115.29 123.57 2ai6 s HIS 28 Ca 0.03 0.92 -0.26 0.00 -0.00 0.00 0.00 55.06 55.75 2ai6 s HIS 28 Cb -0.13 -2.29 -0.06 0.00 -0.00 0.00 0.00 32.58 30.10 2ai6 s HIS 28 CO -0.06 0.28 2.09 -1.12 -0.00 0.00 0.00 174.74 175.93 2ai6 s SER 29 N -2.26 4.83 0.00 1.40 0.01 0.16 -3.99 113.70 113.86 2ai6 s SER 29 Ca 0.46 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2ai6 s SER 29 Cb -0.12 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2ai6 s SER 29 CO 0.21 -2.81 0.81 0.00 0.41 0.00 0.00 173.24 171.85 2ai6 n ALA 30 N 14.68 1.93 -1.43 1.44 0.00 -1.26 -4.52 120.51 131.35 2ai6 n ALA 30 Ca 0.33 -0.66 -0.54 0.00 0.00 0.00 0.00 53.44 52.56 2ai6 n ALA 30 Cb 0.50 -0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 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 0.00 -2.01 0.00 -0.02 -1.26 -1.01 135.00 130.70 2ai6 n PRO 31 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2ai6 n PRO 31 Cb 0.63 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.77 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 1.33 -2.20 -2.77 -0.52 5.12 0.42 -1.33 116.66 116.71 2ai6 n ARG 32 Ca 0.19 0.18 -0.16 0.00 -1.93 0.00 0.00 57.85 56.13 2ai6 n ARG 32 Cb 0.12 -4.55 -0.00 0.00 -1.16 0.00 0.00 32.46 26.86 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 -0.85 -4.03 -0.48 0.55 7.64 -0.18 -4.81 113.62 111.47 2ai6 n SER 33 Ca -0.04 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2ai6 n SER 33 Cb 0.39 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 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 -0.98 0.66 3.74 0.23 0.00 -0.44 -5.12 105.19 103.29 2ai6 n GLY 34 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.41 -1.49 4.61 0.00 -1.06 -4.94 121.76 121.28 2ai6 s ALA 35 Ca 0.00 1.03 0.29 0.00 0.00 0.00 0.00 51.96 53.28 2ai6 s ALA 35 Cb 0.00 -3.48 1.50 0.00 0.00 0.00 0.00 23.12 21.14 2ai6 s ALA 35 CO 0.00 -1.43 2.02 -0.35 0.00 0.00 0.00 175.76 175.99 2ai6 n PRO 36 N -1.93 0.47 -3.54 0.00 -0.04 -1.26 -4.90 135.00 123.80 2ai6 n PRO 36 Ca 0.14 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 2ai6 n PRO 36 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.26 -0.55 -2.45 0.55 0.00 -1.26 -5.08 120.51 110.46 2ai6 n ALA 37 Ca 0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 53.44 52.26 2ai6 n ALA 37 Cb 0.22 1.05 0.05 0.00 0.00 0.00 0.00 19.45 20.77 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 -1.04 3.13 -1.18 0.00 0.00 -1.26 -4.67 120.51 115.49 2ai6 n ALA 38 Ca -0.12 -2.92 -0.29 0.00 0.00 0.00 0.00 53.44 50.11 2ai6 n ALA 38 Cb 0.50 -0.67 0.20 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.74 -0.18 0.10 0.00 2.02 -1.26 -4.69 118.70 111.94 2ai6 s GLU 39 Ca 0.35 0.25 0.01 0.00 0.02 0.00 0.00 54.97 55.60 2ai6 s GLU 39 Cb 0.36 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 2ai6 s GLU 39 CO -0.06 -3.08 -0.04 -1.12 0.02 0.00 0.00 175.26 170.98 2ai6 s SER 40 N -3.68 0.92 0.13 -0.19 0.01 -1.26 -0.67 113.70 108.97 2ai6 s SER 40 Ca 0.68 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 2ai6 s SER 40 Cb -0.15 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 2ai6 s SER 40 CO 0.57 -0.53 0.05 -1.59 0.41 0.00 0.00 173.24 172.15 2ai6 s LYS 41 N -3.88 0.94 -0.08 12.44 -2.85 -0.39 -4.98 119.74 120.93 2ai6 s LYS 41 Ca 0.13 -1.45 -0.00 0.00 -1.00 0.00 0.00 55.97 53.65 2ai6 s LYS 41 Cb 0.06 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 2ai6 s LYS 41 CO -0.05 -0.24 -0.05 -1.21 0.10 0.00 0.00 175.35 173.90 2ai6 s GLU 42 N -4.03 2.93 0.19 1.78 8.01 -1.26 -0.31 118.70 126.02 2ai6 s GLU 42 Ca 0.24 -0.52 0.10 0.00 0.01 0.00 0.00 54.97 54.79 2ai6 s GLU 42 Cb 0.07 -2.68 -0.04 0.00 -4.31 0.00 0.00 34.13 27.18 2ai6 s GLU 42 CO 0.02 0.61 -0.12 0.96 0.01 0.00 0.00 175.26 176.73 2ai6 s ILE 43 N -0.65 3.02 -0.17 -1.63 -4.36 -0.05 -4.94 121.20 112.43 2ai6 s ILE 43 Ca 0.10 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 2ai6 s ILE 43 Cb -0.12 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.10 2ai6 s ILE 43 CO 0.02 -0.15 -0.18 -0.69 0.24 0.00 0.00 174.94 174.18 2ai6 s VAL 44 N -1.79 2.29 0.03 8.37 1.01 -0.48 -1.84 120.40 127.99 2ai6 s VAL 44 Ca 0.25 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2ai6 s VAL 44 Cb -0.08 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2ai6 s VAL 44 CO 0.15 0.53 -0.06 -0.13 0.00 0.00 0.00 175.10 175.58 2ai6 s ARG 45 N 1.06 0.46 0.00 2.72 1.81 -1.07 -2.85 118.95 121.09 2ai6 s ARG 45 Ca -0.01 -0.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 2ai6 s ARG 45 Cb -0.14 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.12 2ai6 s ARG 45 CO -0.06 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.01 2ai6 n GLY 46 N 1.76 0.94 3.16 -3.53 0.00 -1.25 -1.12 105.19 105.15 2ai6 n GLY 46 Ca -0.21 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.02 0.50 1.61 2.02 -1.22 -2.10 117.35 118.14 2ai6 s TYR 47 Ca 0.00 -0.04 0.24 0.00 -0.37 0.00 0.00 57.07 56.89 2ai6 s TYR 47 Cb 0.00 -0.00 1.31 0.00 -0.40 0.00 0.00 41.96 42.87 2ai6 s TYR 47 CO 0.00 -0.35 1.95 1.57 -1.57 0.00 0.00 175.55 177.15 2ai6 h LYS 48 N 3.97 0.12 0.00 -0.62 2.10 -1.73 -1.39 116.57 119.01 2ai6 h LYS 48 Ca -0.31 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.27 2ai6 h LYS 48 Cb 1.19 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 2ai6 h LYS 48 CO 0.42 0.08 -0.32 0.11 -2.00 0.00 0.00 179.45 177.73 2ai6 h TRP 49 N 0.12 0.00 -1.61 0.07 5.08 -1.96 -3.38 115.95 114.26 2ai6 h TRP 49 Ca 0.32 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.60 2ai6 h TRP 49 Cb 1.09 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.12 2ai6 h TRP 49 CO -0.00 0.32 1.57 0.00 -1.28 0.00 0.00 178.44 179.05 2ai6 s ALA 50 N -3.42 3.46 -1.38 0.11 0.00 -0.53 -4.80 121.76 115.22 2ai6 s ALA 50 Ca 0.02 -2.94 0.12 0.00 0.00 0.00 0.00 51.96 49.16 2ai6 s ALA 50 Cb 0.09 -4.35 0.58 0.00 0.00 0.00 0.00 23.12 19.44 2ai6 s ALA 50 CO 0.68 -3.12 1.29 0.39 0.00 0.00 0.00 175.76 175.00 2ai6 n GLU 51 N 7.22 0.15 -3.80 0.00 1.02 -1.26 -4.44 120.64 119.53 2ai6 n GLU 51 Ca 0.38 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.59 2ai6 n GLU 51 Cb 0.46 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.62 -0.19 0.44 -0.32 1.13 -1.26 -4.99 117.35 109.54 2ai6 s TYR 52 Ca 0.10 0.43 0.12 0.00 -1.41 0.00 0.00 57.07 56.31 2ai6 s TYR 52 Cb 0.08 0.06 0.99 0.00 -1.10 0.00 0.00 41.96 41.99 2ai6 s TYR 52 CO 0.18 -0.21 2.03 0.45 -2.51 0.00 0.00 175.55 175.49 2ai6 h HIS 53 N 5.10 0.17 0.00 -3.49 3.86 -1.88 -1.29 115.15 117.61 2ai6 h HIS 53 Ca -0.28 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 2ai6 h HIS 53 Cb 1.19 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 2ai6 h HIS 53 CO 0.47 0.21 -0.10 0.00 0.86 0.00 0.00 177.93 179.37 2ai6 h ALA 54 N 1.80 1.58 -0.15 2.45 0.00 -1.96 -1.54 119.26 121.43 2ai6 h ALA 54 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ai6 h ALA 54 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ai6 h ALA 54 CO 0.01 0.13 0.02 0.22 0.00 0.00 0.00 179.25 179.62 2ai6 h ASP 55 N 0.00 0.25 -0.35 0.00 3.58 -1.62 -0.92 116.42 117.36 2ai6 h ASP 55 Ca -0.00 -0.27 -0.16 0.00 0.42 0.00 0.00 57.03 57.01 2ai6 h ASP 55 Cb 0.21 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2ai6 h ASP 55 CO 0.01 0.46 -0.42 0.16 -2.88 0.00 0.00 179.24 176.57 2ai6 h ILE 56 N 0.03 1.28 -0.18 2.25 3.07 -1.61 -1.27 117.51 121.07 2ai6 h ILE 56 Ca 0.05 -1.60 0.01 0.00 1.55 0.00 0.00 64.86 64.87 2ai6 h ILE 56 Cb 0.32 1.48 -0.02 0.00 -0.27 0.00 0.00 36.82 38.33 2ai6 h ILE 56 CO 0.00 0.53 0.08 0.22 -1.05 0.00 0.00 178.15 177.93 2ai6 h TYR 57 N 0.69 0.15 -0.23 0.16 3.20 -1.20 0.43 116.97 120.17 2ai6 h TYR 57 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2ai6 h TYR 57 Cb 1.02 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2ai6 h TYR 57 CO 0.07 0.09 0.09 0.22 -1.64 0.00 0.00 178.16 176.98 2ai6 h ASP 58 N 0.18 0.32 0.01 -2.11 3.58 -1.11 0.36 116.42 117.65 2ai6 h ASP 58 Ca 0.07 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2ai6 h ASP 58 Cb 0.02 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2ai6 h ASP 58 CO -0.06 0.40 -0.01 0.50 -2.88 0.00 0.00 179.24 177.20 2ai6 h LYS 59 N 0.22 -0.02 -0.06 0.28 3.64 -1.12 -1.41 116.57 118.11 2ai6 h LYS 59 Ca 0.08 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2ai6 h LYS 59 Cb 0.18 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2ai6 h LYS 59 CO -0.01 0.03 -0.46 0.28 -2.27 0.00 0.00 179.45 177.03 2ai6 h VAL 60 N -0.06 1.41 -0.04 2.00 2.07 -0.83 -1.83 116.25 118.98 2ai6 h VAL 60 Ca -0.00 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 2ai6 h VAL 60 Cb 0.06 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2ai6 h VAL 60 CO 0.00 0.55 -0.08 0.77 0.02 0.00 0.00 177.57 178.83 2ai6 h SER 61 N -0.07 0.05 0.22 0.57 4.64 -0.97 0.60 113.55 118.58 2ai6 h SER 61 Ca -0.04 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2ai6 h SER 61 Cb 1.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2ai6 h SER 61 CO 0.09 0.14 -0.10 1.23 -0.87 0.00 0.00 176.83 177.31 2ai6 h GLY 62 N 0.34 -0.30 0.91 -0.77 0.00 -0.94 -0.16 103.07 102.16 2ai6 h GLY 62 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2ai6 h GLY 62 CO 0.01 -0.11 0.10 -1.80 0.00 0.00 0.00 176.54 174.74 2ai6 h ASP 63 N -0.32 0.49 -0.56 0.19 3.58 -0.63 -0.14 116.42 119.03 2ai6 h ASP 63 Ca -0.03 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.26 2ai6 h ASP 63 Cb 0.25 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2ai6 h ASP 63 CO 0.05 0.57 0.31 0.24 -2.88 0.00 0.00 179.24 177.53 2ai6 h MET 64 N 0.39 0.58 -0.10 0.28 2.86 -0.89 -0.45 114.93 117.60 2ai6 h MET 64 Ca 0.11 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2ai6 h MET 64 Cb 0.25 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2ai6 h MET 64 CO -0.00 0.38 -0.33 1.96 1.06 0.00 0.00 176.91 179.98 2ai6 h GLN 65 N 0.60 0.19 -0.77 1.72 4.20 -0.78 0.10 115.11 120.37 2ai6 h GLN 65 Ca 0.24 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 2ai6 h GLN 65 Cb 0.11 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2ai6 h GLN 65 CO -0.15 0.50 0.28 -0.22 -0.67 0.00 0.00 178.83 178.58 2ai6 h LYS 66 N 0.17 1.17 -0.26 1.46 3.64 -0.25 -1.69 116.57 120.81 2ai6 h LYS 66 Ca 0.02 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2ai6 h LYS 66 Cb 0.67 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2ai6 h LYS 66 CO 0.05 0.96 -0.13 1.96 -2.27 0.00 0.00 179.45 180.03 2ai6 h GLN 67 N 1.13 0.44 0.00 1.90 4.20 -0.45 -3.47 115.11 118.86 2ai6 h GLN 67 Ca 0.25 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2ai6 h GLN 67 Cb 0.26 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2ai6 h GLN 67 CO -0.02 0.57 0.00 0.41 -0.67 0.00 0.00 178.83 179.12 2ai6 n GLY 68 N -0.68 0.66 3.52 3.46 0.00 0.16 -0.44 105.19 111.86 2ai6 n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.24 1.83 0.13 0.00 2.15 -1.26 -3.96 116.67 112.33 2ai6 s ASP 70 Ca 0.68 -0.30 -0.04 0.00 0.43 0.00 0.00 52.55 53.33 2ai6 s ASP 70 Cb -0.17 -0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 41.89 2ai6 s ASP 70 CO 0.59 0.12 0.12 0.00 -0.17 0.00 0.00 175.17 175.83 2ai6 s GLU 72 N -4.00 0.45 -0.32 0.00 2.12 -0.89 -4.99 118.70 111.07 2ai6 s GLU 72 Ca 0.19 0.85 -0.28 0.00 0.36 0.00 0.00 54.97 56.09 2ai6 s GLU 72 Cb 0.06 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 2ai6 s GLU 72 CO -0.01 -0.15 1.90 0.00 -0.54 0.00 0.00 175.26 176.46 2ai6 h LEU 74 N 14.23 0.00 0.00 0.00 3.38 -1.19 -3.48 115.31 128.25 2ai6 h LEU 74 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 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 1.03 0.28 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2ai6 n GLY 75 N -0.51 -1.17 0.00 0.83 0.00 -1.22 -4.69 105.19 98.44 2ai6 n GLY 75 Ca -0.02 -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 2.34 0.00 -0.02 0.00 -0.57 -1.52 105.19 105.41 2ai6 n GLY 76 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.84 3.24 -0.02 0.00 -1.07 -1.23 105.19 106.95 2ai6 n GLY 77 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 0.16 1.02 -0.01 1.61 3.52 -0.03 -1.43 118.95 123.79 2ai6 s ARG 78 Ca 0.00 -1.21 0.05 0.00 -0.13 0.00 0.00 55.73 54.44 2ai6 s ARG 78 Cb 0.00 -0.96 -0.01 0.00 -1.56 0.00 0.00 34.95 32.41 2ai6 s ARG 78 CO 0.00 0.19 -0.15 0.42 -0.81 0.00 0.00 175.30 174.96 2ai6 s ILE 79 N -1.94 1.15 -0.02 4.11 1.01 0.28 -1.46 121.20 124.32 2ai6 s ILE 79 Ca 0.08 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.13 2ai6 s ILE 79 Cb -0.06 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2ai6 s ILE 79 CO 0.03 0.30 -0.17 -0.44 0.00 0.00 0.00 174.94 174.67 2ai6 s SER 80 N -0.40 2.03 0.00 3.58 0.01 -0.47 -1.49 113.70 116.97 2ai6 s SER 80 Ca 0.05 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2ai6 s SER 80 Cb -0.06 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2ai6 s SER 80 CO -0.00 0.19 0.35 1.57 0.41 0.00 0.00 173.24 175.76 2ai6 n HIS 81 N 2.80 0.00 0.34 2.43 -0.00 0.34 -1.41 115.22 119.71 2ai6 n HIS 81 Ca -0.16 -0.06 0.22 0.00 0.46 0.00 0.00 57.72 58.19 2ai6 n HIS 81 Cb 0.54 -0.01 1.20 0.00 -0.12 0.00 0.00 29.99 31.60 2ai6 n HIS 81 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2ai6 h GLN 82 N 0.00 0.00 -0.46 1.57 5.75 -1.75 0.13 115.11 120.35 2ai6 h GLN 82 Ca 0.00 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 2ai6 h GLN 82 Cb 0.60 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2ai6 h GLN 82 CO 0.00 0.00 0.31 0.77 -2.65 0.00 0.00 178.83 177.26 2ai6 h SER 83 N 0.00 0.18 -6.73 -0.69 0.02 -1.89 -3.47 113.55 100.97 2ai6 h SER 83 Ca -0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.41 2ai6 h SER 83 Cb 0.01 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.40 2ai6 h SER 83 CO 0.00 0.11 -0.92 0.00 -1.14 0.00 0.00 176.83 174.88 2ai6 n GLN 84 N -4.45 -2.27 -2.62 3.45 6.02 0.44 -4.91 117.38 113.04 2ai6 n GLN 84 Ca 0.07 0.28 -0.13 0.00 -0.01 0.00 0.00 57.00 57.21 2ai6 n GLN 84 Cb 0.38 -4.11 0.02 0.00 1.02 0.00 0.00 30.24 27.56 2ai6 n GLN 84 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ai6 n ASP 85 N -2.92 2.28 -2.27 1.08 2.03 -1.26 -4.96 116.55 110.53 2ai6 n ASP 85 Ca -0.31 -2.91 -0.16 0.00 0.52 0.00 0.00 54.79 51.93 2ai6 n ASP 85 Cb 0.69 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 2ai6 n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2ai6 n LYS 86 N -0.21 -1.88 -3.80 -0.67 3.00 -1.26 -4.94 118.16 108.39 2ai6 n LYS 86 Ca 0.17 0.81 -0.09 0.00 -0.00 0.00 0.00 58.31 59.19 2ai6 n LYS 86 Cb 0.79 -5.38 -0.07 0.00 0.00 0.00 0.00 35.03 30.37 2ai6 n LYS 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2ai6 s LYS 87 N -4.76 0.87 0.29 1.64 2.20 -1.26 -1.83 119.74 116.89 2ai6 s LYS 87 Ca 0.00 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 2ai6 s LYS 87 Cb 0.00 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.63 2ai6 s LYS 87 CO 0.00 -0.29 0.07 0.96 -0.36 0.00 0.00 175.35 175.73 2ai6 s ILE 88 N -3.64 0.86 0.07 5.43 -4.36 -0.63 -4.68 121.20 114.25 2ai6 s ILE 88 Ca 0.03 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2ai6 s ILE 88 Cb 0.03 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 2ai6 s ILE 88 CO -0.10 -0.02 -0.11 -2.28 0.24 0.00 0.00 174.94 172.68 2ai6 s HIS 89 N -3.53 0.96 -0.09 1.37 2.46 -0.50 -1.69 115.29 114.27 2ai6 s HIS 89 Ca 0.37 -0.53 0.02 0.00 0.47 0.00 0.00 55.06 55.39 2ai6 s HIS 89 Cb 0.08 -0.55 0.02 0.00 -0.13 0.00 0.00 32.58 32.00 2ai6 s HIS 89 CO 0.14 -0.01 -0.12 0.08 -2.47 0.00 0.00 174.74 172.36 2ai6 s VAL 90 N -1.62 1.18 0.30 0.89 1.01 -0.39 -1.37 120.40 120.41 2ai6 s VAL 90 Ca -0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2ai6 s VAL 90 Cb -0.08 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2ai6 s VAL 90 CO 0.01 0.38 0.59 0.00 0.00 0.00 0.00 175.10 176.07 2ai6 n TYR 91 N 4.16 -2.00 -4.26 5.22 4.11 -0.54 -2.07 117.16 121.79 2ai6 n TYR 91 Ca -0.20 -1.43 0.00 0.00 -0.00 0.00 0.00 57.90 56.27 2ai6 n TYR 91 Cb 0.51 0.69 0.00 0.00 -0.00 0.00 0.00 39.34 40.54 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 -0.41 -0.97 3.27 -7.48 0.00 -0.22 -0.85 105.19 98.52 2ai6 n GLY 92 Ca -0.06 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.12 0.15 1.61 -0.85 -1.26 -4.76 117.35 112.12 2ai6 s TYR 93 Ca 0.00 -0.03 -0.31 0.00 -0.52 0.00 0.00 57.07 56.21 2ai6 s TYR 93 Cb 0.00 0.12 -0.08 0.00 0.38 0.00 0.00 41.96 42.38 2ai6 s TYR 93 CO 0.00 -0.53 1.34 0.45 -1.52 0.00 0.00 175.55 175.29 2ai6 s SER 94 N -2.17 6.87 0.53 -0.18 0.15 -0.36 -4.50 113.70 114.03 2ai6 s SER 94 Ca -0.04 2.34 0.25 0.00 0.70 0.00 0.00 55.95 59.20 2ai6 s SER 94 Cb -0.00 -2.60 1.49 0.00 -1.71 0.00 0.00 66.02 63.20 2ai6 s SER 94 CO -0.04 -0.59 2.13 -0.03 1.20 0.00 0.00 173.24 175.91 2ai6 h MET 95 N 6.20 0.00 0.00 5.44 4.05 -1.92 -0.31 114.93 128.38 2ai6 h MET 95 Ca -0.43 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 58.64 2ai6 h MET 95 Cb 1.21 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.95 2ai6 h MET 95 CO 0.82 0.08 -2.20 0.00 0.23 0.00 0.00 176.91 175.84 2ai6 n ALA 96 N -2.36 1.50 -0.55 0.39 0.00 -1.26 -4.70 120.51 113.53 2ai6 n ALA 96 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2ai6 n ALA 96 Cb 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.84 0.00 -1.72 0.00 4.01 -1.21 -5.12 117.16 110.29 2ai6 n TYR 97 Ca -0.29 -0.04 0.03 0.00 -0.16 0.00 0.00 57.90 57.45 2ai6 n TYR 97 Cb 1.13 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.15 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 -0.04 -2.04 3.72 2.72 0.00 -0.13 -4.39 105.19 105.03 2ai6 n GLY 98 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.87 4.35 0.93 1.61 0.04 -1.26 -1.52 135.00 138.28 2ai6 s PRO 99 Ca 0.00 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 2ai6 s PRO 99 Cb 0.00 -3.23 0.15 0.00 0.04 0.00 0.00 34.50 31.46 2ai6 s PRO 99 CO 0.00 -0.37 1.13 0.00 0.04 0.00 0.00 177.00 177.80 2ai6 s ALA 100 N 0.74 1.58 -1.30 8.56 0.00 -0.99 -4.59 121.76 125.76 2ai6 s ALA 100 Ca 0.62 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 2ai6 s ALA 100 Cb -0.37 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2ai6 s ALA 100 CO 0.33 -2.42 2.01 1.04 0.00 0.00 0.00 175.76 176.72 2ai6 n GLN 101 N -3.86 2.70 0.30 0.00 6.02 -1.26 -4.80 117.38 116.48 2ai6 n GLN 101 Ca 0.06 -2.72 0.18 0.00 -0.01 0.00 0.00 57.00 54.50 2ai6 n GLN 101 Cb 0.59 -3.35 0.94 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 7.05 0.00 -0.94 1.08 3.86 -1.96 0.71 115.15 124.95 2ai6 h HIS 102 Ca 0.48 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.80 2ai6 h HIS 102 Cb 0.74 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.14 2ai6 h HIS 102 CO 1.40 0.00 0.60 0.00 0.86 0.00 0.00 177.93 180.80 2ai6 h ALA 103 N 1.74 1.59 -0.54 2.45 0.00 -1.99 -1.60 119.26 120.91 2ai6 h ALA 103 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ai6 h ALA 103 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2ai6 h ALA 103 CO 0.00 0.20 0.30 0.82 0.00 0.00 0.00 179.25 180.57 2ai6 h ILE 104 N 0.93 1.18 -0.12 0.00 1.08 -1.26 -2.00 117.51 117.33 2ai6 h ILE 104 Ca 0.45 -0.47 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2ai6 h ILE 104 Cb 0.44 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2ai6 h ILE 104 CO -0.21 0.20 -0.05 0.28 -0.69 0.00 0.00 178.15 177.68 2ai6 h SER 105 N 0.73 -0.18 -0.35 1.72 0.02 -1.40 0.12 113.55 114.21 2ai6 h SER 105 Ca 0.19 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2ai6 h SER 105 Cb 0.05 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 2ai6 h SER 105 CO -0.03 -0.07 0.04 0.71 -1.14 0.00 0.00 176.83 176.34 2ai6 h THR 106 N -0.04 0.79 0.01 -2.27 1.35 -1.30 0.20 112.91 111.65 2ai6 h THR 106 Ca 0.07 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2ai6 h THR 106 Cb 0.14 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 2ai6 h THR 106 CO -0.15 0.03 -0.00 -0.33 -0.25 0.00 0.00 175.52 174.82 2ai6 h GLU 107 N 0.15 -0.01 -0.19 4.72 5.08 -0.70 -1.42 114.58 122.21 2ai6 h GLU 107 Ca 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2ai6 h GLU 107 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ai6 h GLU 107 CO -0.24 0.14 -0.09 0.87 -1.00 0.00 0.00 179.01 178.69 2ai6 h LYS 108 N -0.16 0.39 -0.70 2.33 1.79 -0.69 -1.20 116.57 118.33 2ai6 h LYS 108 Ca -0.00 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.24 2ai6 h LYS 108 Cb 0.15 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 2ai6 h LYS 108 CO 0.00 0.69 0.21 0.82 -1.08 0.00 0.00 179.45 180.09 2ai6 h ILE 109 N 0.08 1.25 -0.38 1.86 2.04 -0.97 -0.54 117.51 120.85 2ai6 h ILE 109 Ca 0.04 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 2ai6 h ILE 109 Cb 0.57 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2ai6 h ILE 109 CO 0.03 0.35 -0.18 0.11 0.00 0.00 0.00 178.15 178.46 2ai6 h LYS 110 N 1.04 0.71 -0.33 2.37 1.57 -1.13 0.23 116.57 121.04 2ai6 h LYS 110 Ca 0.23 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2ai6 h LYS 110 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2ai6 h LYS 110 CO -0.01 0.85 0.14 0.00 -0.57 0.00 0.00 179.45 179.86 2ai6 h ALA 111 N 1.17 0.43 -0.34 3.86 0.00 -0.69 -3.07 119.26 120.61 2ai6 h ALA 111 Ca 0.10 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2ai6 h ALA 111 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ai6 h ALA 111 CO 0.05 0.02 -0.42 -0.22 0.00 0.00 0.00 179.25 178.67 2ai6 h LYS 112 N 0.39 0.86 -6.37 0.00 1.63 -0.98 -3.48 116.57 108.61 2ai6 h LYS 112 Ca 0.11 -0.47 -0.38 0.00 -0.85 0.00 0.00 60.65 59.06 2ai6 h LYS 112 Cb 0.17 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.84 2ai6 h LYS 112 CO -0.01 1.11 -0.82 0.98 -3.45 0.00 0.00 179.45 177.26 2ai6 n TYR 113 N -4.04 -2.16 0.17 1.91 4.19 0.79 -4.90 117.16 113.13 2ai6 n TYR 113 Ca -0.02 0.75 0.03 0.00 3.31 0.00 0.00 57.90 61.97 2ai6 n TYR 113 Cb 0.56 -3.19 0.41 0.00 0.49 0.00 0.00 39.34 37.61 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 -0.66 0.09 0.00 2.98 0.13 -1.92 -3.42 132.00 129.20 2ai6 h PRO 114 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2ai6 h PRO 114 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ai6 h PRO 114 CO 0.39 0.33 0.00 -3.47 -0.23 0.00 0.00 178.00 175.02 2ai6 n ASP 115 N -4.23 0.00 -4.18 1.44 2.03 -1.26 -5.13 116.55 105.23 2ai6 n ASP 115 Ca -0.02 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.18 2ai6 n ASP 115 Cb 0.31 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.61 2ai6 n ASP 115 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2ai6 s TYR 116 N -0.68 1.01 0.96 -0.67 -0.85 -1.26 -5.00 117.35 110.86 2ai6 s TYR 116 Ca 0.00 -1.28 -0.15 0.00 -0.52 0.00 0.00 57.07 55.12 2ai6 s TYR 116 Cb 0.00 -0.54 0.18 0.00 0.38 0.00 0.00 41.96 41.98 2ai6 s TYR 116 CO 0.00 -0.54 1.23 -2.00 -1.52 0.00 0.00 175.55 172.72 2ai6 s GLU 117 N -4.08 0.69 0.04 -3.49 2.12 -0.76 -4.81 118.70 108.41 2ai6 s GLU 117 Ca 0.30 -0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.37 2ai6 s GLU 117 Cb 0.07 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.65 2ai6 s GLU 117 CO 0.06 -2.43 0.28 0.54 -0.54 0.00 0.00 175.26 173.17 2ai6 s VAL 118 N -3.58 0.09 0.22 3.70 0.11 -1.26 -1.60 120.40 118.07 2ai6 s VAL 118 Ca 0.69 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2ai6 s VAL 118 Cb -0.08 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2ai6 s VAL 118 CO 0.53 -0.41 0.17 0.42 -3.33 0.00 0.00 175.10 172.49 2ai6 s THR 119 N -2.60 0.00 0.20 5.04 -4.23 -0.68 -4.92 115.64 108.44 2ai6 s THR 119 Ca -0.05 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 2ai6 s THR 119 Cb -0.01 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 2ai6 s THR 119 CO -0.04 0.00 0.27 -1.66 -0.54 0.00 0.00 174.62 172.65 2ai6 s TRP 120 N -4.07 0.68 -0.04 3.99 1.48 -1.26 -1.26 118.94 118.46 2ai6 s TRP 120 Ca 0.38 -1.00 -0.06 0.00 -1.06 0.00 0.00 56.10 54.37 2ai6 s TRP 120 Cb 0.06 -0.19 0.01 0.00 -1.16 0.00 0.00 33.47 32.19 2ai6 s TRP 120 CO 0.13 -0.75 0.14 0.00 -4.06 0.00 0.00 176.95 172.41 2ai6 s ALA 121 N -4.05 -0.35 -0.30 2.67 0.00 -0.88 -4.92 121.76 113.94 2ai6 s ALA 121 Ca 0.26 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 2ai6 s ALA 121 Cb 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.06 2ai6 s ALA 121 CO 0.07 -0.10 2.58 -1.71 0.00 0.00 0.00 175.76 176.60 2ai6 n ASN 122 N 2.62 6.19 -2.39 0.00 5.15 -1.26 -4.46 115.26 121.10 2ai6 n ASN 122 Ca -0.15 -2.98 -0.09 0.00 -0.60 0.00 0.00 54.58 50.76 2ai6 n ASN 122 Cb 0.58 -1.19 -0.00 0.00 -0.53 0.00 0.00 39.78 38.63 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 1.00 -1.29 0.00 1.20 2.03 -1.26 -5.04 116.55 113.19 2ai6 n ASP 123 Ca 0.38 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.39 2ai6 n ASP 123 Cb 0.61 2.26 0.00 0.00 -0.72 0.00 0.00 41.12 43.27 2ai6 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 124 N -0.41 -0.22 0.00 0.27 0.00 -1.26 -1.06 105.19 102.51 2ai6 n GLY 124 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2ai6 n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90