#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 -0.69 -0.19 -5.12 0.00 -1.26 -5.13 121.76 109.37 2ai6 s ALA 2 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2ai6 s ALA 2 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2ai6 s ALA 2 CO 0.00 -0.31 1.30 0.08 0.00 0.00 0.00 175.76 176.83 2ai6 s VAL 3 N -1.80 4.21 0.80 0.00 1.01 -1.26 -4.94 120.40 118.42 2ai6 s VAL 3 Ca -0.10 1.44 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 2ai6 s VAL 3 Cb -0.04 -4.00 0.20 0.00 0.00 0.00 0.00 36.38 32.53 2ai6 s VAL 3 CO 0.01 -0.21 0.78 0.00 0.00 0.00 0.00 175.10 175.68 2ai6 n ALA 4 N 6.92 -2.06 -2.83 5.51 0.00 -1.26 -5.06 120.51 121.72 2ai6 n ALA 4 Ca 0.14 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 52.35 2ai6 n ALA 4 Cb 0.45 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.70 0.08 0.55 0.00 2.15 -1.26 -4.74 116.67 109.75 2ai6 s ASP 5 Ca 0.49 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 53.34 2ai6 s ASP 5 Cb -0.04 0.26 1.45 0.00 -0.30 0.00 0.00 42.92 44.29 2ai6 s ASP 5 CO 0.37 -0.52 1.96 -0.07 -0.17 0.00 0.00 175.17 176.74 2ai6 h LEU 6 N 3.60 0.00 -0.61 -1.34 3.38 -1.97 -0.08 115.31 118.28 2ai6 h LEU 6 Ca -0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2ai6 h LEU 6 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2ai6 h LEU 6 CO 0.48 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.67 2ai6 h ALA 7 N 1.64 0.89 0.00 1.53 0.00 -2.04 -3.24 119.26 118.04 2ai6 h ALA 7 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ai6 h ALA 7 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2ai6 h ALA 7 CO -0.00 0.42 -0.48 -0.07 0.00 0.00 0.00 179.25 179.12 2ai6 h LEU 8 N 0.00 0.00 -9.72 0.00 3.38 -1.42 -3.47 115.31 104.08 2ai6 h LEU 8 Ca -0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 2ai6 h LEU 8 Cb 1.02 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.87 2ai6 h LEU 8 CO 0.04 0.00 0.58 -0.38 0.09 0.00 0.00 178.44 178.78 2ai6 n ILE 9 N -2.86 1.66 -1.55 1.22 5.41 -1.16 -4.87 119.36 117.21 2ai6 n ILE 9 Ca 0.02 -0.41 -0.35 0.00 1.00 0.00 0.00 62.75 63.01 2ai6 n ILE 9 Cb 0.53 -1.61 -0.04 0.00 -0.71 0.00 0.00 39.64 37.82 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 1.05 0.93 0.10 0.38 -0.02 -1.26 -4.82 135.00 131.36 2ai6 n PRO 10 Ca 0.06 -0.06 -0.04 0.00 -2.02 0.00 0.00 63.50 61.45 2ai6 n PRO 10 Cb 0.35 -3.32 0.15 0.00 -0.02 0.00 0.00 33.50 30.66 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 18.68 0.21 -3.46 2.55 3.58 -1.91 -3.43 116.42 132.63 2ai6 h ASP 11 Ca -0.21 -0.11 -0.29 0.00 0.42 0.00 0.00 57.03 56.83 2ai6 h ASP 11 Cb 1.26 -0.06 -0.34 0.00 1.72 0.00 0.00 39.33 41.91 2ai6 h ASP 11 CO 1.17 0.74 -0.69 -0.69 -2.88 0.00 0.00 179.24 176.89 2ai6 s VAL 12 N -3.77 -0.07 -0.26 2.25 1.01 -1.26 -1.77 120.40 116.53 2ai6 s VAL 12 Ca -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2ai6 s VAL 12 Cb 0.12 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 36.51 2ai6 s VAL 12 CO 0.79 0.10 0.40 -0.62 0.00 0.00 0.00 175.10 175.77 2ai6 s ASP 13 N 1.25 0.11 0.06 3.32 2.15 -0.82 -5.00 116.67 117.74 2ai6 s ASP 13 Ca -0.07 0.18 0.01 0.00 0.43 0.00 0.00 52.55 53.10 2ai6 s ASP 13 Cb -0.13 1.22 -0.03 0.00 -0.30 0.00 0.00 42.92 43.68 2ai6 s ASP 13 CO -0.04 -0.31 -0.06 0.27 -0.17 0.00 0.00 175.17 174.87 2ai6 s ILE 14 N 2.58 0.45 0.27 4.11 -4.36 -1.26 -3.58 121.20 119.41 2ai6 s ILE 14 Ca 0.13 -1.44 0.03 0.00 -0.26 0.00 0.00 60.65 59.11 2ai6 s ILE 14 Cb -0.15 -1.03 0.05 0.00 1.25 0.00 0.00 42.46 42.58 2ai6 s ILE 14 CO -0.19 -0.66 1.69 -0.78 0.24 0.00 0.00 174.94 175.24 2ai6 h ASP 15 N 3.83 0.44 -2.03 4.36 3.58 -1.75 -3.49 116.42 121.35 2ai6 h ASP 15 Ca -0.35 -0.17 0.23 0.00 0.42 0.00 0.00 57.03 57.16 2ai6 h ASP 15 Cb 1.18 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 42.05 2ai6 h ASP 15 CO 0.52 0.74 -0.30 -1.20 -2.88 0.00 0.00 179.24 176.12 2ai6 n SER 16 N -4.08 -6.02 -4.12 2.28 7.64 -1.26 -4.89 113.62 103.16 2ai6 n SER 16 Ca -0.01 0.89 -0.32 0.00 1.01 0.00 0.00 58.87 60.44 2ai6 n SER 16 Cb 0.44 -2.60 -0.03 0.00 -1.01 0.00 0.00 64.21 61.01 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 -4.08 -2.17 0.00 6.43 2.03 -1.26 -4.75 116.55 112.75 2ai6 n ASP 17 Ca 0.01 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.31 2ai6 n ASP 17 Cb 0.38 -2.87 0.00 0.00 -0.72 0.00 0.00 41.12 37.91 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 -1.67 -0.60 2.88 0.27 0.00 -1.26 -5.03 105.19 99.78 2ai6 n GLY 18 Ca -0.08 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.24 0.52 0.22 1.61 1.01 -1.26 -1.51 120.40 117.76 2ai6 s VAL 19 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 2ai6 s VAL 19 Cb 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2ai6 s VAL 19 CO 0.00 0.23 0.72 0.72 0.00 0.00 0.00 175.10 176.77 2ai6 s PHE 20 N 1.02 -0.28 0.36 5.22 -0.71 -0.43 -4.76 117.98 118.39 2ai6 s PHE 20 Ca -0.10 -0.09 -0.03 0.00 -1.04 0.00 0.00 56.93 55.67 2ai6 s PHE 20 Cb -0.14 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2ai6 s PHE 20 CO -0.00 -1.07 0.62 0.15 -1.34 0.00 0.00 175.22 173.58 2ai6 s LYS 21 N -3.78 3.56 0.23 1.99 3.01 -1.26 -0.80 119.74 122.70 2ai6 s LYS 21 Ca 0.08 -0.04 0.01 0.00 -1.01 0.00 0.00 55.97 55.01 2ai6 s LYS 21 Cb -0.04 -2.57 -0.04 0.00 -1.01 0.00 0.00 37.83 34.17 2ai6 s LYS 21 CO 0.01 0.07 0.16 1.52 0.51 0.00 0.00 175.35 177.62 2ai6 s TYR 22 N -2.35 1.30 0.03 3.18 1.13 -0.34 -2.66 117.35 117.63 2ai6 s TYR 22 Ca 0.44 -1.44 -0.05 0.00 -1.41 0.00 0.00 57.07 54.60 2ai6 s TYR 22 Cb -0.10 -0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 40.15 2ai6 s TYR 22 CO 0.36 -0.69 0.09 0.54 -2.51 0.00 0.00 175.55 173.34 2ai6 s VAL 23 N -4.00 0.12 -0.23 -3.49 0.11 -0.26 -2.56 120.40 110.10 2ai6 s VAL 23 Ca 0.39 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2ai6 s VAL 23 Cb 0.06 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2ai6 s VAL 23 CO 0.16 -0.55 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.04 2ai6 s LEU 24 N -1.89 2.91 -0.08 2.54 2.96 -0.46 -2.65 118.68 122.01 2ai6 s LEU 24 Ca -0.08 -0.91 0.04 0.00 -0.22 0.00 0.00 54.13 52.96 2ai6 s LEU 24 Cb -0.04 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 2ai6 s LEU 24 CO -0.03 -0.10 -0.21 0.27 -1.32 0.00 0.00 176.35 174.96 2ai6 s ILE 25 N 1.26 1.82 0.42 6.68 -4.36 -0.86 -0.59 121.20 125.58 2ai6 s ILE 25 Ca -0.00 -0.90 -0.23 0.00 -0.26 0.00 0.00 60.65 59.26 2ai6 s ILE 25 Cb -0.16 -1.57 -0.09 0.00 1.25 0.00 0.00 42.46 41.88 2ai6 s ILE 25 CO -0.07 0.51 1.03 -0.60 0.24 0.00 0.00 174.94 176.05 2ai6 s ARG 26 N 0.24 4.11 -0.04 0.37 3.52 0.41 -0.94 118.95 126.62 2ai6 s ARG 26 Ca -0.13 1.43 0.01 0.00 -0.13 0.00 0.00 55.73 56.92 2ai6 s ARG 26 Cb -0.16 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.83 2ai6 s ARG 26 CO 0.06 -0.17 -0.04 0.08 -0.81 0.00 0.00 175.30 174.42 2ai6 s VAL 27 N -1.77 0.47 0.08 7.11 1.01 0.50 -1.91 120.40 125.89 2ai6 s VAL 27 Ca 0.60 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2ai6 s VAL 27 Cb -0.19 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2ai6 s VAL 27 CO 0.24 0.20 0.23 -1.00 0.00 0.00 0.00 175.10 174.77 2ai6 s HIS 28 N 0.79 3.51 -0.63 5.22 0.09 -0.48 -1.74 115.29 122.04 2ai6 s HIS 28 Ca -0.10 0.22 -0.26 0.00 -0.00 0.00 0.00 55.06 54.91 2ai6 s HIS 28 Cb -0.13 -1.74 -0.05 0.00 -0.00 0.00 0.00 32.58 30.66 2ai6 s HIS 28 CO -0.00 0.57 2.10 -1.12 -0.00 0.00 0.00 174.74 176.29 2ai6 s SER 29 N -2.68 4.85 0.00 1.40 0.01 0.00 -4.19 113.70 113.09 2ai6 s SER 29 Ca 0.35 0.39 0.03 0.00 1.31 0.00 0.00 55.95 58.03 2ai6 s SER 29 Cb -0.13 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.63 2ai6 s SER 29 CO 0.28 -2.74 0.82 0.00 0.41 0.00 0.00 173.24 172.00 2ai6 n ALA 30 N 14.53 2.30 -1.53 1.44 0.00 -1.26 -4.61 120.51 131.38 2ai6 n ALA 30 Ca 0.31 -0.70 -0.47 0.00 0.00 0.00 0.00 53.44 52.58 2ai6 n ALA 30 Cb 0.51 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 0.06 0.86 -2.04 0.00 -0.02 -1.26 -1.41 135.00 131.18 2ai6 n PRO 31 Ca -0.03 0.30 -0.05 0.00 -2.02 0.00 0.00 63.50 61.70 2ai6 n PRO 31 Cb 0.67 -1.61 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 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 1.08 -2.17 -2.94 -0.52 5.12 -0.00 -1.68 116.66 115.56 2ai6 n ARG 32 Ca 0.14 0.27 -0.18 0.00 -1.93 0.00 0.00 57.85 56.15 2ai6 n ARG 32 Cb 0.27 -4.67 -0.00 0.00 -1.16 0.00 0.00 32.46 26.90 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 -0.96 -3.72 -0.74 0.55 7.64 -0.50 -4.82 113.62 111.07 2ai6 n SER 33 Ca -0.06 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2ai6 n SER 33 Cb 0.42 -3.12 -0.00 0.00 -1.01 0.00 0.00 64.21 60.50 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 -1.00 0.71 3.74 0.23 0.00 -0.67 -5.11 105.19 103.08 2ai6 n GLY 34 Ca -0.07 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 2.53 -1.34 4.61 0.00 -1.21 -4.94 121.76 121.42 2ai6 s ALA 35 Ca 0.07 1.22 0.29 0.00 0.00 0.00 0.00 51.96 53.53 2ai6 s ALA 35 Cb 0.08 -3.54 1.40 0.00 0.00 0.00 0.00 23.12 21.06 2ai6 s ALA 35 CO -0.03 -1.46 1.98 -0.35 0.00 0.00 0.00 175.76 175.89 2ai6 n PRO 36 N -1.59 0.32 -2.89 0.00 -0.04 -1.26 -4.92 135.00 124.62 2ai6 n PRO 36 Ca 0.14 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2ai6 n PRO 36 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.33 -0.49 -2.46 0.55 0.00 -1.26 -5.08 120.51 110.44 2ai6 n ALA 37 Ca 0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 53.44 52.61 2ai6 n ALA 37 Cb 0.25 0.72 0.05 0.00 0.00 0.00 0.00 19.45 20.48 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 -1.60 3.29 -1.17 0.00 0.00 -1.26 -4.68 120.51 115.09 2ai6 n ALA 38 Ca -0.09 -3.01 -0.29 0.00 0.00 0.00 0.00 53.44 50.05 2ai6 n ALA 38 Cb 0.35 -0.66 0.17 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.09 0.54 0.06 0.00 0.41 -1.26 -4.71 118.70 110.65 2ai6 s GLU 39 Ca 0.35 0.57 -0.03 0.00 -0.41 0.00 0.00 54.97 55.45 2ai6 s GLU 39 Cb 0.36 -1.75 -0.03 0.00 -1.78 0.00 0.00 34.13 30.94 2ai6 s GLU 39 CO -0.04 -2.67 0.03 -1.12 -0.49 0.00 0.00 175.26 170.97 2ai6 s SER 40 N -3.44 0.37 0.23 -0.19 0.01 -1.26 -0.82 113.70 108.60 2ai6 s SER 40 Ca 0.65 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 2ai6 s SER 40 Cb -0.18 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2ai6 s SER 40 CO 0.58 -0.62 0.48 -1.59 0.41 0.00 0.00 173.24 172.49 2ai6 s LYS 41 N -3.79 1.48 0.20 12.44 0.00 -0.71 -4.99 119.74 124.37 2ai6 s LYS 41 Ca 0.05 -1.14 0.07 0.00 0.00 0.00 0.00 55.97 54.95 2ai6 s LYS 41 Cb 0.06 0.48 -0.04 0.00 0.00 0.00 0.00 37.83 38.33 2ai6 s LYS 41 CO -0.10 -0.62 0.09 -1.21 0.00 0.00 0.00 175.35 173.51 2ai6 s GLU 42 N -3.97 2.66 0.10 1.78 8.01 -1.26 -0.37 118.70 125.65 2ai6 s GLU 42 Ca 0.18 -1.07 0.04 0.00 0.01 0.00 0.00 54.97 54.13 2ai6 s GLU 42 Cb -0.01 -2.47 -0.04 0.00 -4.31 0.00 0.00 34.13 27.31 2ai6 s GLU 42 CO 0.05 0.44 -0.10 0.96 0.01 0.00 0.00 175.26 176.62 2ai6 s ILE 43 N -1.92 0.94 -0.20 -1.63 -4.36 -0.12 -4.96 121.20 108.95 2ai6 s ILE 43 Ca 0.30 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 2ai6 s ILE 43 Cb -0.09 -1.44 0.03 0.00 1.25 0.00 0.00 42.46 42.22 2ai6 s ILE 43 CO 0.22 -0.61 -0.16 -0.69 0.24 0.00 0.00 174.94 173.94 2ai6 s VAL 44 N -2.64 2.03 0.02 8.37 1.01 -0.73 -2.02 120.40 126.45 2ai6 s VAL 44 Ca 0.07 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2ai6 s VAL 44 Cb -0.02 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2ai6 s VAL 44 CO -0.00 0.34 -0.05 -0.13 0.00 0.00 0.00 175.10 175.26 2ai6 s ARG 45 N 1.25 0.38 0.00 2.72 1.81 -1.08 -1.93 118.95 122.09 2ai6 s ARG 45 Ca 0.00 -0.54 0.00 0.00 -1.72 0.00 0.00 55.73 53.48 2ai6 s ARG 45 Cb -0.15 -0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.21 2ai6 s ARG 45 CO -0.10 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 174.95 2ai6 n GLY 46 N 1.91 1.61 3.39 -3.53 0.00 -1.23 -1.10 105.19 106.23 2ai6 n GLY 46 Ca -0.21 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.50 -0.42 0.42 1.61 1.51 -1.09 -1.79 117.35 117.10 2ai6 s TYR 47 Ca 0.00 0.35 0.09 0.00 -1.01 0.00 0.00 57.07 56.50 2ai6 s TYR 47 Cb 0.00 0.38 0.90 0.00 -0.11 0.00 0.00 41.96 43.13 2ai6 s TYR 47 CO 0.00 -0.70 2.04 0.87 -1.11 0.00 0.00 175.55 176.65 2ai6 h LYS 48 N 2.54 0.40 0.00 -0.62 1.57 -1.86 -2.28 116.57 116.32 2ai6 h LYS 48 Ca -0.32 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2ai6 h LYS 48 Cb 1.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2ai6 h LYS 48 CO 0.41 0.31 -0.19 0.11 -0.57 0.00 0.00 179.45 179.52 2ai6 h TRP 49 N 0.41 0.00 -1.58 -1.35 5.08 -1.97 -3.24 115.95 113.30 2ai6 h TRP 49 Ca 0.11 0.00 -0.72 0.00 1.08 0.00 0.00 58.89 59.35 2ai6 h TRP 49 Cb 0.04 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.06 2ai6 h TRP 49 CO 0.00 0.19 1.79 0.00 -1.28 0.00 0.00 178.44 179.15 2ai6 n ALA 50 N -2.44 4.14 0.41 0.11 0.00 -0.86 -4.77 120.51 117.10 2ai6 n ALA 50 Ca -0.02 -4.14 0.04 0.00 0.00 0.00 0.00 53.44 49.33 2ai6 n ALA 50 Cb 0.27 -3.21 0.22 0.00 0.00 0.00 0.00 19.45 16.73 2ai6 n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ai6 n GLU 51 N 6.07 0.12 -3.86 0.00 -0.58 -1.23 -4.37 120.64 116.79 2ai6 n GLU 51 Ca 0.41 0.21 -0.12 0.00 -0.42 0.00 0.00 57.16 57.25 2ai6 n GLU 51 Cb 0.42 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.66 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2ai6 s TYR 52 N -2.61 -0.04 0.49 -0.32 1.13 -1.26 -4.97 117.35 109.77 2ai6 s TYR 52 Ca 0.08 0.10 0.16 0.00 -1.41 0.00 0.00 57.07 56.00 2ai6 s TYR 52 Cb 0.06 0.01 1.19 0.00 -1.10 0.00 0.00 41.96 42.12 2ai6 s TYR 52 CO 0.14 -0.03 2.09 0.45 -2.51 0.00 0.00 175.55 175.69 2ai6 h HIS 53 N 6.05 0.00 -0.06 -3.49 3.86 -1.89 -1.14 115.15 118.48 2ai6 h HIS 53 Ca -0.24 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 2ai6 h HIS 53 Cb 1.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 2ai6 h HIS 53 CO 0.41 0.07 0.01 0.00 0.86 0.00 0.00 177.93 179.28 2ai6 h ALA 54 N 1.93 1.91 -0.20 2.45 0.00 -1.97 -0.82 119.26 122.57 2ai6 h ALA 54 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2ai6 h ALA 54 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ai6 h ALA 54 CO 0.01 0.07 -0.03 0.22 0.00 0.00 0.00 179.25 179.52 2ai6 h ASP 55 N 0.08 0.38 -0.42 0.00 3.58 -1.58 -1.03 116.42 117.42 2ai6 h ASP 55 Ca 0.02 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 57.00 2ai6 h ASP 55 Cb 0.04 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2ai6 h ASP 55 CO -0.00 0.63 -0.22 0.16 -2.88 0.00 0.00 179.24 176.93 2ai6 h ILE 56 N 0.11 1.28 -0.58 2.25 3.07 -1.61 -1.11 117.51 120.92 2ai6 h ILE 56 Ca 0.05 -1.37 0.03 0.00 1.55 0.00 0.00 64.86 65.12 2ai6 h ILE 56 Cb 0.46 1.26 -0.04 0.00 -0.27 0.00 0.00 36.82 38.23 2ai6 h ILE 56 CO 0.02 0.46 0.34 0.22 -1.05 0.00 0.00 178.15 178.14 2ai6 h TYR 57 N 0.71 0.64 0.06 0.16 3.20 -1.01 0.14 116.97 120.88 2ai6 h TYR 57 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2ai6 h TYR 57 Cb 0.79 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2ai6 h TYR 57 CO 0.06 0.36 -0.03 0.22 -1.64 0.00 0.00 178.16 177.13 2ai6 h ASP 58 N 0.67 -0.07 -0.34 -2.11 3.58 -1.11 -0.19 116.42 116.85 2ai6 h ASP 58 Ca 0.23 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ai6 h ASP 58 Cb 0.04 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2ai6 h ASP 58 CO -0.11 0.20 0.21 0.50 -2.88 0.00 0.00 179.24 177.16 2ai6 h LYS 59 N -0.35 0.46 -0.17 0.28 3.64 -0.98 -0.86 116.57 118.59 2ai6 h LYS 59 Ca -0.01 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 2ai6 h LYS 59 Cb 0.31 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2ai6 h LYS 59 CO 0.01 0.34 -0.60 0.28 -2.27 0.00 0.00 179.45 177.22 2ai6 h VAL 60 N 0.44 1.33 0.00 2.00 2.07 -0.74 -1.10 116.25 120.25 2ai6 h VAL 60 Ca 0.12 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 2ai6 h VAL 60 Cb 0.00 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2ai6 h VAL 60 CO -0.02 0.58 -0.09 0.28 0.02 0.00 0.00 177.57 178.33 2ai6 h SER 61 N 0.42 0.00 0.16 0.57 0.02 -0.78 0.10 113.55 114.04 2ai6 h SER 61 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2ai6 h SER 61 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2ai6 h SER 61 CO 0.11 0.09 -0.08 1.23 -1.14 0.00 0.00 176.83 177.05 2ai6 h GLY 62 N 0.32 -0.22 0.59 -3.77 0.00 -0.09 -0.36 103.07 99.53 2ai6 h GLY 62 Ca -0.00 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2ai6 h GLY 62 CO 0.01 -0.08 0.12 -1.80 0.00 0.00 0.00 176.54 174.79 2ai6 h ASP 63 N -0.46 0.10 -0.53 0.19 3.58 -0.73 0.11 116.42 118.69 2ai6 h ASP 63 Ca -0.02 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 2ai6 h ASP 63 Cb 0.36 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2ai6 h ASP 63 CO 0.04 0.09 0.07 0.24 -2.88 0.00 0.00 179.24 176.80 2ai6 h MET 64 N 0.27 0.89 0.00 0.28 2.86 -0.81 -1.52 114.93 116.89 2ai6 h MET 64 Ca 0.19 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 2ai6 h MET 64 Cb 0.20 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2ai6 h MET 64 CO -0.21 0.87 -0.41 1.96 1.06 0.00 0.00 176.91 180.18 2ai6 h GLN 65 N 0.77 0.00 -0.14 1.72 4.20 -0.73 0.98 115.11 121.91 2ai6 h GLN 65 Ca 0.16 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2ai6 h GLN 65 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2ai6 h GLN 65 CO 0.01 0.41 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.25 2ai6 h LYS 66 N 0.00 0.21 -0.13 1.46 3.11 -0.33 -1.97 116.57 118.92 2ai6 h LYS 66 Ca -0.00 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 2ai6 h LYS 66 Cb 0.78 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.98 2ai6 h LYS 66 CO 0.05 0.34 -0.20 1.96 -2.81 0.00 0.00 179.45 178.80 2ai6 h GLN 67 N 0.20 0.37 0.00 1.90 1.08 -0.26 -3.47 115.11 114.92 2ai6 h GLN 67 Ca 0.04 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 2ai6 h GLN 67 Cb 0.34 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2ai6 h GLN 67 CO 0.02 0.80 0.00 0.41 -0.95 0.00 0.00 178.83 179.11 2ai6 n GLY 68 N 0.33 0.02 3.71 3.46 0.00 0.12 -0.82 105.19 112.01 2ai6 n GLY 68 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.76 2.71 0.17 0.00 2.15 -1.26 -3.80 116.67 112.88 2ai6 s ASP 70 Ca 0.66 -0.64 -0.10 0.00 0.43 0.00 0.00 52.55 52.91 2ai6 s ASP 70 Cb -0.16 -0.19 -0.01 0.00 -0.30 0.00 0.00 42.92 42.27 2ai6 s ASP 70 CO 0.56 0.13 0.31 0.00 -0.17 0.00 0.00 175.17 176.00 2ai6 s GLU 72 N -3.97 0.38 -0.19 0.00 2.12 -0.80 -4.99 118.70 111.25 2ai6 s GLU 72 Ca 0.17 0.79 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 2ai6 s GLU 72 Cb 0.03 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 2ai6 s GLU 72 CO 0.01 -0.16 1.79 0.00 -0.54 0.00 0.00 175.26 176.35 2ai6 h LEU 74 N 12.27 0.00 0.00 0.00 3.38 -1.20 -3.48 115.31 126.28 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 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ai6 h LEU 74 CO 0.99 0.43 0.00 0.61 0.09 0.00 0.00 178.44 180.56 2ai6 n GLY 75 N -0.01 -1.08 0.00 0.83 0.00 -1.21 -4.69 105.19 99.04 2ai6 n GLY 75 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2ai6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 76 N 0.00 2.13 0.00 -0.02 0.00 -0.60 -1.36 105.19 105.34 2ai6 n GLY 76 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 3.25 -0.02 0.00 -1.06 -1.29 105.19 106.80 2ai6 n GLY 77 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 0.64 1.04 -0.03 1.61 3.52 0.16 -1.20 118.95 124.70 2ai6 s ARG 78 Ca 0.00 -1.14 0.02 0.00 -0.13 0.00 0.00 55.73 54.48 2ai6 s ARG 78 Cb 0.00 -1.17 0.01 0.00 -1.56 0.00 0.00 34.95 32.23 2ai6 s ARG 78 CO 0.00 0.26 -0.08 0.42 -0.81 0.00 0.00 175.30 175.09 2ai6 s ILE 79 N -1.41 0.74 -0.04 4.11 1.01 0.02 -1.36 121.20 124.26 2ai6 s ILE 79 Ca 0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2ai6 s ILE 79 Cb -0.09 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.73 2ai6 s ILE 79 CO 0.04 0.24 0.21 -0.44 0.00 0.00 0.00 174.94 174.99 2ai6 s SER 80 N 0.28 -0.14 -0.07 3.58 0.01 -0.42 -1.32 113.70 115.62 2ai6 s SER 80 Ca -0.04 0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 2ai6 s SER 80 Cb -0.09 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.51 2ai6 s SER 80 CO 0.00 -0.24 0.22 -2.28 0.41 0.00 0.00 173.24 171.35 2ai6 s HIS 81 N -0.62 -0.21 0.12 2.43 5.04 -0.57 -0.74 115.29 120.74 2ai6 s HIS 81 Ca -0.07 0.49 -0.05 0.00 -1.54 0.00 0.00 55.06 53.89 2ai6 s HIS 81 Cb -0.04 0.07 -0.02 0.00 0.04 0.00 0.00 32.58 32.62 2ai6 s HIS 81 CO 0.01 -0.15 0.14 -0.65 -2.34 0.00 0.00 174.74 171.75 2ai6 s GLN 82 N -0.15 0.94 0.64 2.88 -0.21 -1.26 -4.43 119.66 118.07 2ai6 s GLN 82 Ca -0.03 -1.24 0.33 0.00 0.02 0.00 0.00 55.36 54.44 2ai6 s GLN 82 Cb -0.03 0.30 1.81 0.00 1.00 0.00 0.00 33.01 36.10 2ai6 s GLN 82 CO 0.01 -0.29 2.08 0.77 -2.12 0.00 0.00 175.29 175.73 2ai6 h SER 83 N 2.78 0.00 0.27 5.90 0.02 -2.01 -1.39 113.55 119.12 2ai6 h SER 83 Ca -0.34 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2ai6 h SER 83 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ai6 h SER 83 CO 0.56 0.00 -0.11 1.56 -1.14 0.00 0.00 176.83 177.70 2ai6 h GLN 84 N 0.00 0.00 -2.05 3.45 7.50 -2.01 -3.41 115.11 118.58 2ai6 h GLN 84 Ca 0.04 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.08 2ai6 h GLN 84 Cb 0.50 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.75 2ai6 h GLN 84 CO -0.00 0.11 -0.42 0.34 -1.50 0.00 0.00 178.83 177.36 2ai6 s ASP 85 N -6.30 -0.08 0.49 1.46 2.15 -0.52 -5.04 116.67 108.83 2ai6 s ASP 85 Ca -0.03 0.57 0.22 0.00 0.43 0.00 0.00 52.55 53.74 2ai6 s ASP 85 Cb 0.14 1.29 1.25 0.00 -0.30 0.00 0.00 42.92 45.30 2ai6 s ASP 85 CO 0.60 -0.27 2.02 0.50 -0.17 0.00 0.00 175.17 177.85 2ai6 h LYS 86 N 8.16 0.00 -6.32 4.34 1.63 -1.81 -3.37 116.57 119.21 2ai6 h LYS 86 Ca -0.18 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.07 2ai6 h LYS 86 Cb 1.14 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2ai6 h LYS 86 CO 0.21 0.16 0.97 0.15 -3.45 0.00 0.00 179.45 177.50 2ai6 s LYS 87 N -4.31 4.22 0.58 1.90 3.01 -1.26 -4.86 119.74 119.02 2ai6 s LYS 87 Ca -0.03 2.09 -0.19 0.00 -1.01 0.00 0.00 55.97 56.83 2ai6 s LYS 87 Cb 0.14 -3.76 -0.04 0.00 -1.01 0.00 0.00 37.83 33.16 2ai6 s LYS 87 CO 0.63 -0.73 1.19 0.42 0.51 0.00 0.00 175.35 177.37 2ai6 s ILE 88 N 3.21 2.77 0.12 2.17 1.01 -1.18 -4.83 121.20 124.47 2ai6 s ILE 88 Ca 0.69 0.47 0.09 0.00 0.00 0.00 0.00 60.65 61.90 2ai6 s ILE 88 Cb -0.33 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2ai6 s ILE 88 CO 0.27 -0.11 -0.23 -2.28 0.00 0.00 0.00 174.94 172.60 2ai6 s HIS 89 N -1.66 1.97 -0.07 3.97 2.46 0.08 -1.30 115.29 120.75 2ai6 s HIS 89 Ca 0.76 -0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.91 2ai6 s HIS 89 Cb -0.29 -1.06 0.01 0.00 -0.13 0.00 0.00 32.58 31.11 2ai6 s HIS 89 CO 0.32 0.27 -0.14 0.08 -2.47 0.00 0.00 174.74 172.80 2ai6 s VAL 90 N -1.24 1.28 0.09 0.89 1.01 -0.40 -1.30 120.40 120.72 2ai6 s VAL 90 Ca 0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2ai6 s VAL 90 Cb -0.10 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2ai6 s VAL 90 CO 0.05 0.39 0.17 0.00 0.00 0.00 0.00 175.10 175.71 2ai6 n TYR 91 N 3.73 -1.26 -3.30 5.22 4.11 -0.46 -2.36 117.16 122.85 2ai6 n TYR 91 Ca -0.22 -0.41 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 2ai6 n TYR 91 Cb 0.52 0.20 0.00 0.00 -0.00 0.00 0.00 39.34 40.06 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 -0.12 -1.78 3.21 -7.48 0.00 -0.51 -0.66 105.19 97.86 2ai6 n GLY 92 Ca -0.02 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.05 0.08 1.61 1.13 -1.26 -4.72 117.35 114.14 2ai6 s TYR 93 Ca 0.00 -0.06 -0.31 0.00 -1.41 0.00 0.00 57.07 55.29 2ai6 s TYR 93 Cb 0.00 0.04 -0.07 0.00 -1.10 0.00 0.00 41.96 40.83 2ai6 s TYR 93 CO 0.00 -0.43 1.39 0.45 -2.51 0.00 0.00 175.55 174.45 2ai6 s SER 94 N -1.85 6.83 0.66 -0.18 0.15 -0.41 -4.40 113.70 114.51 2ai6 s SER 94 Ca -0.08 2.26 0.42 0.00 0.70 0.00 0.00 55.95 59.25 2ai6 s SER 94 Cb -0.03 -2.58 2.30 0.00 -1.71 0.00 0.00 66.02 64.00 2ai6 s SER 94 CO -0.01 -0.67 2.32 -0.03 1.20 0.00 0.00 173.24 176.04 2ai6 h MET 95 N 7.13 0.00 0.00 5.44 4.05 -1.92 -0.59 114.93 129.04 2ai6 h MET 95 Ca -0.41 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 58.87 2ai6 h MET 95 Cb 1.20 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.98 2ai6 h MET 95 CO 0.87 0.00 -1.66 0.00 0.23 0.00 0.00 176.91 176.35 2ai6 n ALA 96 N -2.09 1.92 -0.63 0.39 0.00 -1.26 -4.81 120.51 114.04 2ai6 n ALA 96 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2ai6 n ALA 96 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.25 0.00 -0.72 0.00 4.01 -1.16 -5.12 117.16 111.91 2ai6 n TYR 97 Ca -0.13 -0.08 0.03 0.00 -0.16 0.00 0.00 57.90 57.55 2ai6 n TYR 97 Cb 0.69 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.71 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 -0.08 -2.18 3.71 2.72 0.00 -0.24 -4.35 105.19 104.77 2ai6 n GLY 98 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2ai6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ai6 s PRO 99 N -1.04 4.34 0.93 1.61 0.04 -1.26 -1.39 135.00 138.23 2ai6 s PRO 99 Ca 0.00 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 2ai6 s PRO 99 Cb 0.00 -3.31 0.15 0.00 0.04 0.00 0.00 34.50 31.38 2ai6 s PRO 99 CO 0.00 -0.41 1.12 0.00 0.04 0.00 0.00 177.00 177.74 2ai6 s ALA 100 N 1.26 1.52 -1.30 8.56 0.00 -1.03 -4.64 121.76 126.14 2ai6 s ALA 100 Ca 0.63 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 2ai6 s ALA 100 Cb -0.34 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2ai6 s ALA 100 CO 0.29 -2.43 1.96 1.04 0.00 0.00 0.00 175.76 176.62 2ai6 n GLN 101 N -3.88 2.76 0.33 0.00 6.02 -1.26 -4.81 117.38 116.53 2ai6 n GLN 101 Ca 0.06 -2.82 0.19 0.00 -0.01 0.00 0.00 57.00 54.42 2ai6 n GLN 101 Cb 0.58 -3.39 1.02 0.00 1.02 0.00 0.00 30.24 29.47 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 7.23 0.00 -0.96 1.08 3.86 -1.96 0.66 115.15 125.06 2ai6 h HIS 102 Ca 0.47 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.82 2ai6 h HIS 102 Cb 0.77 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.16 2ai6 h HIS 102 CO 1.40 0.00 0.61 0.00 0.86 0.00 0.00 177.93 180.80 2ai6 h ALA 103 N 1.69 1.67 -0.38 2.45 0.00 -1.99 -1.73 119.26 120.97 2ai6 h ALA 103 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ai6 h ALA 103 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ai6 h ALA 103 CO -0.00 0.07 0.19 0.82 0.00 0.00 0.00 179.25 180.33 2ai6 h ILE 104 N 0.84 1.17 0.15 0.00 1.08 -1.27 -0.73 117.51 118.75 2ai6 h ILE 104 Ca 0.48 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2ai6 h ILE 104 Cb 0.63 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2ai6 h ILE 104 CO -0.25 0.18 -0.15 0.28 -0.69 0.00 0.00 178.15 177.52 2ai6 h SER 105 N 0.48 -0.40 -0.73 1.72 0.02 -1.45 -0.12 113.55 113.07 2ai6 h SER 105 Ca 0.13 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2ai6 h SER 105 Cb 0.11 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2ai6 h SER 105 CO -0.02 -0.23 0.33 0.71 -1.14 0.00 0.00 176.83 176.49 2ai6 h THR 106 N -0.33 1.24 0.03 -2.27 1.35 -1.25 0.77 112.91 112.45 2ai6 h THR 106 Ca 0.01 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2ai6 h THR 106 Cb 0.32 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 2ai6 h THR 106 CO -0.04 0.29 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.17 2ai6 h GLU 107 N 1.02 -0.04 -0.20 4.72 5.08 -0.84 -0.29 114.58 124.03 2ai6 h GLU 107 Ca 0.25 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2ai6 h GLU 107 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ai6 h GLU 107 CO -0.03 0.02 -0.07 0.87 -1.00 0.00 0.00 179.01 178.81 2ai6 h LYS 108 N -0.09 0.40 -0.49 2.33 1.57 -0.85 -1.52 116.57 117.92 2ai6 h LYS 108 Ca -0.00 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2ai6 h LYS 108 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2ai6 h LYS 108 CO 0.01 0.67 0.26 0.82 -0.57 0.00 0.00 179.45 180.64 2ai6 h ILE 109 N 0.11 1.17 -0.84 1.86 2.04 -0.81 0.20 117.51 121.25 2ai6 h ILE 109 Ca 0.05 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2ai6 h ILE 109 Cb 0.53 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2ai6 h ILE 109 CO 0.02 0.19 0.38 0.11 0.00 0.00 0.00 178.15 178.85 2ai6 h LYS 110 N 0.65 1.22 -0.27 2.37 1.57 -0.98 0.19 116.57 121.32 2ai6 h LYS 110 Ca 0.17 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2ai6 h LYS 110 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2ai6 h LYS 110 CO -0.03 0.95 0.08 0.00 -0.57 0.00 0.00 179.45 179.88 2ai6 h ALA 111 N 1.21 0.35 0.00 3.86 0.00 -0.74 -3.14 119.26 120.80 2ai6 h ALA 111 Ca 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2ai6 h ALA 111 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ai6 h ALA 111 CO -0.03 -0.00 -0.11 0.87 0.00 0.00 0.00 179.25 179.98 2ai6 h LYS 112 N 0.27 0.00 -6.74 0.00 6.56 -0.80 -3.48 116.57 112.38 2ai6 h LYS 112 Ca 0.09 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.12 2ai6 h LYS 112 Cb 0.26 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2ai6 h LYS 112 CO -0.00 0.11 -0.99 0.98 -2.06 0.00 0.00 179.45 177.49 2ai6 n TYR 113 N -3.13 -1.53 0.31 -1.35 9.36 0.63 -4.89 117.16 116.57 2ai6 n TYR 113 Ca 0.03 0.24 0.16 0.00 3.32 0.00 0.00 57.90 61.65 2ai6 n TYR 113 Cb 0.57 -3.01 0.64 0.00 -0.63 0.00 0.00 39.34 36.91 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 -2.35 0.00 0.00 2.98 0.13 -1.92 -3.41 132.00 127.43 2ai6 h PRO 114 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2ai6 h PRO 114 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2ai6 h PRO 114 CO 0.53 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.83 2ai6 n ASP 115 N -2.86 -0.55 -3.13 1.44 2.03 -1.26 -5.07 116.55 107.15 2ai6 n ASP 115 Ca 0.01 0.16 -0.06 0.00 0.52 0.00 0.00 54.79 55.42 2ai6 n ASP 115 Cb 0.28 0.75 0.02 0.00 -0.72 0.00 0.00 41.12 41.45 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 -2.00 0.09 0.77 -0.67 5.04 -1.26 -5.15 117.35 114.17 2ai6 s TYR 116 Ca 0.00 -0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 53.85 2ai6 s TYR 116 Cb 0.00 0.78 0.06 0.00 0.35 0.00 0.00 41.96 43.16 2ai6 s TYR 116 CO 0.00 -1.31 1.18 -2.00 -1.34 0.00 0.00 175.55 172.09 2ai6 s GLU 117 N -2.32 1.90 0.18 4.97 2.12 -1.26 -4.77 118.70 119.52 2ai6 s GLU 117 Ca 0.18 1.67 -0.00 0.00 0.36 0.00 0.00 54.97 57.18 2ai6 s GLU 117 Cb -0.04 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.49 2ai6 s GLU 117 CO 0.09 -2.00 0.07 0.14 -0.54 0.00 0.00 175.26 173.02 2ai6 s VAL 118 N -2.20 0.26 0.23 3.70 -7.23 -1.26 -3.10 120.40 110.80 2ai6 s VAL 118 Ca 0.72 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 2ai6 s VAL 118 Cb -0.27 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2ai6 s VAL 118 CO 0.49 -0.25 0.15 0.42 -0.31 0.00 0.00 175.10 175.59 2ai6 s THR 119 N -3.95 0.09 0.13 5.32 -4.23 -0.42 -4.94 115.64 107.64 2ai6 s THR 119 Ca 0.31 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.73 2ai6 s THR 119 Cb 0.07 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2ai6 s THR 119 CO 0.07 0.00 0.24 -1.66 -0.54 0.00 0.00 174.62 172.73 2ai6 s TRP 120 N -3.99 0.32 -0.13 3.99 1.48 -1.26 -1.27 118.94 118.08 2ai6 s TRP 120 Ca 0.39 -0.72 -0.10 0.00 -1.06 0.00 0.00 56.10 54.62 2ai6 s TRP 120 Cb 0.06 -0.08 0.04 0.00 -1.16 0.00 0.00 33.47 32.34 2ai6 s TRP 120 CO 0.14 -0.64 0.34 0.00 -4.06 0.00 0.00 176.95 172.73 2ai6 s ALA 121 N -3.93 -0.84 -0.31 2.67 0.00 -0.99 -4.93 121.76 113.42 2ai6 s ALA 121 Ca 0.13 1.12 0.25 0.00 0.00 0.00 0.00 51.96 53.46 2ai6 s ALA 121 Cb 0.04 -0.67 0.57 0.00 0.00 0.00 0.00 23.12 23.06 2ai6 s ALA 121 CO -0.04 -0.20 1.69 -0.97 0.00 0.00 0.00 175.76 176.25 2ai6 h ASN 122 N 6.34 0.00 -0.34 0.00 -0.73 -1.96 -3.37 115.58 115.52 2ai6 h ASN 122 Ca -0.32 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.85 2ai6 h ASN 122 Cb 1.18 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.75 2ai6 h ASN 122 CO 0.31 0.01 0.21 -0.78 -0.37 0.00 0.00 177.43 176.81 2ai6 h ASP 123 N 0.00 0.42 -3.30 1.15 3.58 -1.97 -3.41 116.42 112.89 2ai6 h ASP 123 Ca -0.00 -0.02 -0.58 0.00 0.42 0.00 0.00 57.03 56.85 2ai6 h ASP 123 Cb 0.89 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.77 2ai6 h ASP 123 CO 0.00 0.33 0.40 -0.83 -2.88 0.00 0.00 179.24 176.26 2ai6 s GLY 124 N -3.75 2.11 0.00 -0.78 0.00 -1.26 -5.05 107.32 98.59 2ai6 s GLY 124 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2ai6 s GLY 124 CO 0.73 1.68 0.12 -1.72 0.00 0.00 0.00 173.10 173.91