#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ai6 n ALA 2 N 0.00 -0.92 -1.02 -5.12 0.00 -1.26 -5.00 120.51 107.20 2ai6 n ALA 2 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 2ai6 n ALA 2 Cb 0.00 -2.12 0.12 0.00 0.00 0.00 0.00 19.45 17.45 2ai6 n ALA 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ai6 s VAL 3 N -2.38 2.70 1.13 0.00 -7.23 -1.26 -5.05 120.40 108.32 2ai6 s VAL 3 Ca 0.67 0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 60.94 2ai6 s VAL 3 Cb -0.25 -2.52 0.26 0.00 0.56 0.00 0.00 36.38 34.43 2ai6 s VAL 3 CO 0.57 -0.29 1.05 0.00 -0.31 0.00 0.00 175.10 176.12 2ai6 s ALA 4 N -2.73 0.10 0.06 1.32 0.00 -1.26 -5.09 121.76 114.17 2ai6 s ALA 4 Ca 0.64 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 2ai6 s ALA 4 Cb -0.20 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2ai6 s ALA 4 CO 0.56 -3.53 0.23 0.34 0.00 0.00 0.00 175.76 173.36 2ai6 s ASP 5 N -3.09 0.00 0.55 0.00 2.15 -1.26 -4.70 116.67 110.32 2ai6 s ASP 5 Ca 0.68 -0.40 0.23 0.00 0.43 0.00 0.00 52.55 53.49 2ai6 s ASP 5 Cb -0.20 0.33 1.47 0.00 -0.30 0.00 0.00 42.92 44.22 2ai6 s ASP 5 CO 0.61 -0.63 2.12 -0.07 -0.17 0.00 0.00 175.17 177.02 2ai6 h LEU 6 N 3.14 0.00 -0.84 -1.34 3.38 -1.97 0.11 115.31 117.80 2ai6 h LEU 6 Ca -0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2ai6 h LEU 6 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2ai6 h LEU 6 CO 0.50 0.00 -0.38 0.00 0.09 0.00 0.00 178.44 178.64 2ai6 h ALA 7 N 1.88 0.96 0.00 1.53 0.00 -2.01 -3.28 119.26 118.34 2ai6 h ALA 7 Ca 0.08 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2ai6 h ALA 7 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2ai6 h ALA 7 CO -0.00 0.48 -1.61 1.28 0.00 0.00 0.00 179.25 179.40 2ai6 n LEU 8 N -3.49 0.87 -4.68 0.00 4.77 0.28 -4.85 117.00 109.91 2ai6 n LEU 8 Ca 0.00 0.41 -0.46 0.00 -0.03 0.00 0.00 56.01 55.93 2ai6 n LEU 8 Cb 0.53 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 2ai6 n LEU 8 CO 0.37 0.30 1.24 -0.38 -1.33 0.00 0.00 177.39 177.60 2ai6 n ILE 9 N -2.99 0.06 -1.61 -0.08 5.41 -0.50 -4.91 119.36 114.73 2ai6 n ILE 9 Ca -0.14 -0.01 -0.48 0.00 1.00 0.00 0.00 62.75 63.11 2ai6 n ILE 9 Cb 0.98 -1.62 -0.04 0.00 -0.71 0.00 0.00 39.64 38.24 2ai6 n ILE 9 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ai6 n PRO 10 N 3.79 1.45 -0.06 0.38 -0.02 -1.26 -4.93 135.00 134.34 2ai6 n PRO 10 Ca 0.17 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.96 2ai6 n PRO 10 Cb 0.30 -2.10 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 2ai6 n PRO 10 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ai6 n ASP 11 N 2.28 2.03 -3.87 2.55 2.03 -1.26 -4.92 116.55 115.39 2ai6 n ASP 11 Ca 0.15 0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.47 2ai6 n ASP 11 Cb 0.25 -0.74 -0.15 0.00 -0.72 0.00 0.00 41.12 39.77 2ai6 n ASP 11 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ai6 s VAL 12 N -2.52 0.11 -0.26 5.18 1.01 -1.26 -2.44 120.40 120.22 2ai6 s VAL 12 Ca -0.29 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2ai6 s VAL 12 Cb 0.08 -0.13 0.12 0.00 0.00 0.00 0.00 36.38 36.45 2ai6 s VAL 12 CO 0.67 0.06 0.54 -0.62 0.00 0.00 0.00 175.10 175.74 2ai6 s ASP 13 N 0.28 -0.74 0.05 3.32 2.15 -1.05 -5.01 116.67 115.66 2ai6 s ASP 13 Ca -0.02 1.18 -0.00 0.00 0.43 0.00 0.00 52.55 54.14 2ai6 s ASP 13 Cb -0.04 1.85 -0.04 0.00 -0.30 0.00 0.00 42.92 44.39 2ai6 s ASP 13 CO -0.01 -0.23 -0.03 0.27 -0.17 0.00 0.00 175.17 174.99 2ai6 s ILE 14 N 2.76 0.26 -0.48 4.11 -4.36 -1.26 -3.67 121.20 118.56 2ai6 s ILE 14 Ca -0.00 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 2ai6 s ILE 14 Cb -0.13 -1.29 0.13 0.00 1.25 0.00 0.00 42.46 42.43 2ai6 s ILE 14 CO -0.17 -0.88 0.25 -0.62 0.24 0.00 0.00 174.94 173.76 2ai6 s ASP 15 N -2.64 3.97 -0.42 4.36 2.15 -0.59 -5.00 116.67 118.50 2ai6 s ASP 15 Ca 0.03 -2.80 -0.05 0.00 0.43 0.00 0.00 52.55 50.16 2ai6 s ASP 15 Cb 0.04 -1.33 -0.12 0.00 -0.30 0.00 0.00 42.92 41.22 2ai6 s ASP 15 CO -0.08 -0.25 2.34 -1.20 -0.17 0.00 0.00 175.17 175.81 2ai6 n SER 16 N 3.35 4.14 -0.19 -0.34 7.64 -1.26 -4.31 113.62 122.65 2ai6 n SER 16 Ca 0.07 -2.21 -0.02 0.00 1.01 0.00 0.00 58.87 57.72 2ai6 n SER 16 Cb 0.33 -0.99 0.08 0.00 -1.01 0.00 0.00 64.21 62.63 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 4.99 0.26 0.00 6.43 3.58 -1.96 -3.47 116.42 126.25 2ai6 h ASP 17 Ca 0.29 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2ai6 h ASP 17 Cb 0.62 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2ai6 h ASP 17 CO 0.82 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 2ai6 n GLY 18 N -1.28 3.24 3.12 -0.78 0.00 -1.26 -5.06 105.19 103.16 2ai6 n GLY 18 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.51 0.21 1.61 1.01 -1.26 -1.61 120.40 119.86 2ai6 s VAL 19 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2ai6 s VAL 19 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.89 2ai6 s VAL 19 CO 0.00 0.10 0.67 0.72 0.00 0.00 0.00 175.10 176.59 2ai6 s PHE 20 N 2.48 -0.36 0.30 5.22 -0.71 -0.50 -4.90 117.98 119.51 2ai6 s PHE 20 Ca -0.00 0.03 0.03 0.00 -1.04 0.00 0.00 56.93 55.95 2ai6 s PHE 20 Cb -0.12 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2ai6 s PHE 20 CO -0.10 -1.03 0.45 0.15 -1.34 0.00 0.00 175.22 173.35 2ai6 s LYS 21 N -3.80 3.42 0.18 1.99 3.01 -1.26 -0.66 119.74 122.62 2ai6 s LYS 21 Ca 0.06 -0.61 -0.05 0.00 -1.01 0.00 0.00 55.97 54.36 2ai6 s LYS 21 Cb -0.03 -2.79 -0.03 0.00 -1.01 0.00 0.00 37.83 33.97 2ai6 s LYS 21 CO -0.03 0.27 0.21 1.52 0.51 0.00 0.00 175.35 177.83 2ai6 s TYR 22 N -2.14 0.77 0.04 3.18 1.13 -0.65 -2.93 117.35 116.74 2ai6 s TYR 22 Ca 0.38 -1.09 -0.06 0.00 -1.41 0.00 0.00 57.07 54.89 2ai6 s TYR 22 Cb -0.09 -0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 40.46 2ai6 s TYR 22 CO 0.32 -0.69 0.11 0.54 -2.51 0.00 0.00 175.55 173.32 2ai6 s VAL 23 N -4.06 0.13 -0.23 -3.49 0.11 -0.08 -2.40 120.40 110.37 2ai6 s VAL 23 Ca 0.28 -1.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 2ai6 s VAL 23 Cb 0.05 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2ai6 s VAL 23 CO 0.06 -0.60 -0.12 -0.22 -3.33 0.00 0.00 175.10 170.89 2ai6 s LEU 24 N -2.17 3.00 -0.09 2.54 2.96 -0.56 -2.60 118.68 121.76 2ai6 s LEU 24 Ca -0.04 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 52.90 2ai6 s LEU 24 Cb -0.01 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 2ai6 s LEU 24 CO -0.05 -0.12 -0.24 0.27 -1.32 0.00 0.00 176.35 174.90 2ai6 s ILE 25 N 1.23 2.00 0.37 6.68 -4.36 -0.83 -0.68 121.20 125.61 2ai6 s ILE 25 Ca -0.02 -1.00 -0.25 0.00 -0.26 0.00 0.00 60.65 59.12 2ai6 s ILE 25 Cb -0.17 -1.72 -0.09 0.00 1.25 0.00 0.00 42.46 41.73 2ai6 s ILE 25 CO -0.07 0.55 1.02 -0.60 0.24 0.00 0.00 174.94 176.08 2ai6 s ARG 26 N 0.23 4.34 -0.11 0.37 3.52 0.23 -0.94 118.95 126.59 2ai6 s ARG 26 Ca -0.15 1.47 -0.01 0.00 -0.13 0.00 0.00 55.73 56.91 2ai6 s ARG 26 Cb -0.17 -2.67 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 2ai6 s ARG 26 CO 0.07 0.03 -0.02 0.08 -0.81 0.00 0.00 175.30 174.65 2ai6 s VAL 27 N -1.62 0.61 0.23 7.11 1.01 0.42 -2.02 120.40 126.14 2ai6 s VAL 27 Ca 0.54 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 2ai6 s VAL 27 Cb -0.21 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 2ai6 s VAL 27 CO 0.27 0.20 0.68 -1.00 0.00 0.00 0.00 175.10 175.25 2ai6 s HIS 28 N 1.86 3.57 -0.51 5.22 0.09 -0.16 -1.16 115.29 124.21 2ai6 s HIS 28 Ca 0.04 1.26 -0.27 0.00 -0.00 0.00 0.00 55.06 56.08 2ai6 s HIS 28 Cb -0.13 -2.53 -0.02 0.00 -0.00 0.00 0.00 32.58 29.89 2ai6 s HIS 28 CO -0.07 0.30 1.88 -1.54 -0.00 0.00 0.00 174.74 175.31 2ai6 s SER 29 N -1.84 5.41 0.00 1.40 1.04 -0.12 -3.85 113.70 115.74 2ai6 s SER 29 Ca 0.45 0.72 0.09 0.00 0.48 0.00 0.00 55.95 57.68 2ai6 s SER 29 Cb -0.15 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.59 2ai6 s SER 29 CO 0.20 -2.19 0.97 0.00 0.98 0.00 0.00 173.24 173.20 2ai6 n ALA 30 N 12.18 2.42 -1.48 5.32 0.00 -1.26 -4.50 120.51 133.19 2ai6 n ALA 30 Ca 0.23 -1.24 -0.51 0.00 0.00 0.00 0.00 53.44 51.92 2ai6 n ALA 30 Cb 0.51 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 0.17 0.36 -1.91 0.00 -0.02 -1.26 -0.85 135.00 131.49 2ai6 n PRO 31 Ca -0.03 0.13 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 2ai6 n PRO 31 Cb 0.82 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.87 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 1.31 -2.08 -2.97 -0.52 1.74 -0.09 -1.17 116.66 112.89 2ai6 n ARG 32 Ca 0.17 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.24 2ai6 n ARG 32 Cb 0.20 -4.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.14 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ai6 n SER 33 N -0.66 -4.05 -1.10 0.55 7.64 -0.03 -4.84 113.62 111.13 2ai6 n SER 33 Ca -0.04 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2ai6 n SER 33 Cb 0.35 -3.37 -0.01 0.00 -1.01 0.00 0.00 64.21 60.17 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 -1.07 0.78 3.74 0.23 0.00 -0.32 -5.11 105.19 103.45 2ai6 n GLY 34 Ca -0.08 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 2.32 -0.97 4.61 0.00 -1.16 -4.95 121.76 121.60 2ai6 s ALA 35 Ca 0.16 0.90 0.24 0.00 0.00 0.00 0.00 51.96 53.26 2ai6 s ALA 35 Cb 0.19 -3.45 1.00 0.00 0.00 0.00 0.00 23.12 20.85 2ai6 s ALA 35 CO -0.08 -1.54 1.76 -0.35 0.00 0.00 0.00 175.76 175.54 2ai6 n PRO 36 N -2.25 0.02 -3.95 0.00 -0.04 -1.26 -4.91 135.00 122.61 2ai6 n PRO 36 Ca 0.13 0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2ai6 n PRO 36 Cb 0.50 -1.52 -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 s ALA 37 N -3.01 0.07 -0.37 0.55 0.00 -1.26 -5.08 121.76 112.66 2ai6 s ALA 37 Ca 0.11 -1.18 0.11 0.00 0.00 0.00 0.00 51.96 51.01 2ai6 s ALA 37 Cb 0.15 0.91 0.44 0.00 0.00 0.00 0.00 23.12 24.62 2ai6 s ALA 37 CO 0.44 -0.89 1.05 0.00 0.00 0.00 0.00 175.76 176.36 2ai6 n ALA 38 N -0.56 4.27 -1.60 0.00 0.00 -1.26 -4.66 120.51 116.70 2ai6 n ALA 38 Ca -0.04 -3.73 -0.30 0.00 0.00 0.00 0.00 53.44 49.38 2ai6 n ALA 38 Cb 0.61 -0.70 0.21 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.39 -0.12 0.06 0.00 2.02 -1.26 -4.80 118.70 111.20 2ai6 s GLU 39 Ca 0.39 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 55.07 2ai6 s GLU 39 Cb 0.42 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.87 2ai6 s GLU 39 CO -0.07 -2.94 0.01 -1.12 0.02 0.00 0.00 175.26 171.15 2ai6 s SER 40 N -4.51 0.42 0.12 -0.19 0.01 -1.26 -0.95 113.70 107.34 2ai6 s SER 40 Ca 0.73 -0.93 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2ai6 s SER 40 Cb -0.06 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2ai6 s SER 40 CO 0.54 -0.61 -0.01 -1.59 0.41 0.00 0.00 173.24 171.98 2ai6 s LYS 41 N -3.83 0.91 -0.10 12.44 -2.85 -0.31 -4.98 119.74 121.02 2ai6 s LYS 41 Ca 0.06 -1.41 -0.01 0.00 -1.00 0.00 0.00 55.97 53.62 2ai6 s LYS 41 Cb 0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 2ai6 s LYS 41 CO -0.10 -0.12 -0.06 -1.21 0.10 0.00 0.00 175.35 173.96 2ai6 s GLU 42 N -3.92 3.08 0.20 1.78 8.01 -1.26 -0.44 118.70 126.15 2ai6 s GLU 42 Ca 0.18 -0.54 0.10 0.00 0.01 0.00 0.00 54.97 54.72 2ai6 s GLU 42 Cb 0.06 -2.70 -0.04 0.00 -4.31 0.00 0.00 34.13 27.14 2ai6 s GLU 42 CO -0.01 0.51 -0.15 0.96 0.01 0.00 0.00 175.26 176.57 2ai6 s ILE 43 N -0.38 2.84 -0.15 -1.63 -4.36 -0.12 -4.97 121.20 112.44 2ai6 s ILE 43 Ca 0.06 -1.86 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 2ai6 s ILE 43 Cb -0.12 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.19 2ai6 s ILE 43 CO 0.02 -0.15 -0.21 -0.69 0.24 0.00 0.00 174.94 174.15 2ai6 s VAL 44 N -1.78 2.09 0.03 8.37 1.01 -1.02 -1.96 120.40 127.14 2ai6 s VAL 44 Ca 0.24 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2ai6 s VAL 44 Cb -0.08 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2ai6 s VAL 44 CO 0.13 0.55 -0.05 -0.13 0.00 0.00 0.00 175.10 175.59 2ai6 s ARG 45 N 0.93 0.41 0.00 2.72 1.81 -1.07 -2.53 118.95 121.22 2ai6 s ARG 45 Ca -0.04 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 2ai6 s ARG 45 Cb -0.15 -0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.20 2ai6 s ARG 45 CO -0.04 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.01 2ai6 n GLY 46 N 1.75 1.02 3.26 -3.53 0.00 -1.24 -0.90 105.19 105.54 2ai6 n GLY 46 Ca -0.22 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.32 -0.09 0.37 1.61 1.51 -1.15 -1.54 117.35 117.74 2ai6 s TYR 47 Ca 0.00 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2ai6 s TYR 47 Cb 0.00 0.11 0.72 0.00 -0.11 0.00 0.00 41.96 42.68 2ai6 s TYR 47 CO 0.00 -0.55 2.03 -0.22 -1.11 0.00 0.00 175.55 175.70 2ai6 h LYS 48 N 2.99 0.71 0.00 -0.62 1.63 -1.88 -2.27 116.57 117.14 2ai6 h LYS 48 Ca -0.32 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.39 2ai6 h LYS 48 Cb 1.21 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 2ai6 h LYS 48 CO 0.48 0.48 -0.17 0.11 -3.45 0.00 0.00 179.45 176.89 2ai6 h TRP 49 N 0.73 0.00 -1.09 1.91 5.08 -1.96 -3.27 115.95 117.35 2ai6 h TRP 49 Ca 0.20 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.48 2ai6 h TRP 49 Cb -0.08 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 25.99 2ai6 h TRP 49 CO 0.00 0.17 2.03 0.00 -1.28 0.00 0.00 178.44 179.36 2ai6 s ALA 50 N -4.24 3.40 -0.48 0.11 0.00 -0.85 -4.77 121.76 114.93 2ai6 s ALA 50 Ca -0.03 -2.96 0.16 0.00 0.00 0.00 0.00 51.96 49.13 2ai6 s ALA 50 Cb 0.14 -4.56 0.82 0.00 0.00 0.00 0.00 23.12 19.52 2ai6 s ALA 50 CO 0.63 -3.23 1.49 0.39 0.00 0.00 0.00 175.76 175.04 2ai6 n GLU 51 N 7.98 0.10 -3.86 0.00 1.02 -1.24 -4.17 120.64 120.48 2ai6 n GLU 51 Ca 0.46 0.56 -0.12 0.00 -0.02 0.00 0.00 57.16 58.04 2ai6 n GLU 51 Cb 0.46 -1.81 -0.12 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.35 -0.04 0.52 -0.32 1.13 -1.26 -4.93 117.35 109.09 2ai6 s TYR 52 Ca -0.01 0.11 0.19 0.00 -1.41 0.00 0.00 57.07 55.95 2ai6 s TYR 52 Cb 0.05 -0.00 1.31 0.00 -1.10 0.00 0.00 41.96 42.21 2ai6 s TYR 52 CO 0.17 -0.13 2.11 1.12 -2.51 0.00 0.00 175.55 176.31 2ai6 h HIS 53 N 5.41 0.00 0.00 -3.49 2.07 -1.89 -1.42 115.15 115.83 2ai6 h HIS 53 Ca -0.27 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.22 2ai6 h HIS 53 Cb 1.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.18 2ai6 h HIS 53 CO 0.48 0.00 -0.15 0.00 -3.07 0.00 0.00 177.93 175.19 2ai6 h ALA 54 N 1.92 1.55 -0.21 6.11 0.00 -1.96 -2.28 119.26 124.39 2ai6 h ALA 54 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2ai6 h ALA 54 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ai6 h ALA 54 CO -0.00 0.18 0.02 0.22 0.00 0.00 0.00 179.25 179.68 2ai6 h ASP 55 N 0.00 0.35 -0.39 0.00 3.58 -1.63 -1.33 116.42 116.99 2ai6 h ASP 55 Ca -0.00 -0.28 -0.14 0.00 0.42 0.00 0.00 57.03 57.03 2ai6 h ASP 55 Cb 0.30 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2ai6 h ASP 55 CO 0.02 0.54 -0.29 0.16 -2.88 0.00 0.00 179.24 176.78 2ai6 h ILE 56 N 0.15 1.28 -0.25 2.25 3.07 -1.64 -1.10 117.51 121.26 2ai6 h ILE 56 Ca 0.06 -1.46 0.01 0.00 1.55 0.00 0.00 64.86 65.02 2ai6 h ILE 56 Cb 0.35 1.34 -0.01 0.00 -0.27 0.00 0.00 36.82 38.22 2ai6 h ILE 56 CO 0.01 0.49 0.16 0.22 -1.05 0.00 0.00 178.15 177.97 2ai6 h TYR 57 N 0.70 0.29 -0.19 0.16 3.20 -1.31 0.72 116.97 120.54 2ai6 h TYR 57 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2ai6 h TYR 57 Cb 0.88 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2ai6 h TYR 57 CO 0.06 0.18 0.09 0.22 -1.64 0.00 0.00 178.16 177.07 2ai6 h ASP 58 N 0.32 0.26 0.01 -2.11 3.58 -1.17 0.06 116.42 117.37 2ai6 h ASP 58 Ca 0.10 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2ai6 h ASP 58 Cb -0.02 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2ai6 h ASP 58 CO -0.04 0.33 -0.00 0.50 -2.88 0.00 0.00 179.24 177.16 2ai6 h LYS 59 N 0.17 -0.01 -0.04 0.28 3.64 -1.07 -1.43 116.57 118.12 2ai6 h LYS 59 Ca 0.07 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 2ai6 h LYS 59 Cb 0.15 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2ai6 h LYS 59 CO -0.01 0.06 -0.46 0.28 -2.27 0.00 0.00 179.45 177.05 2ai6 h VAL 60 N -0.07 1.42 -0.08 2.00 2.07 -0.78 -1.67 116.25 119.14 2ai6 h VAL 60 Ca -0.00 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 2ai6 h VAL 60 Cb 0.07 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2ai6 h VAL 60 CO 0.00 0.55 -0.05 0.77 0.02 0.00 0.00 177.57 178.86 2ai6 h SER 61 N -0.11 0.11 0.20 0.57 4.64 -1.04 0.59 113.55 118.50 2ai6 h SER 61 Ca -0.04 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2ai6 h SER 61 Cb 1.14 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2ai6 h SER 61 CO 0.09 0.18 -0.11 1.23 -0.87 0.00 0.00 176.83 177.35 2ai6 h GLY 62 N 0.40 -0.30 0.99 -0.77 0.00 -0.96 -0.48 103.07 101.96 2ai6 h GLY 62 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2ai6 h GLY 62 CO 0.01 -0.12 -0.06 -1.80 0.00 0.00 0.00 176.54 174.56 2ai6 h ASP 63 N -0.30 0.81 -0.72 0.19 3.58 -0.58 0.26 116.42 119.67 2ai6 h ASP 63 Ca -0.02 -0.34 0.05 0.00 0.42 0.00 0.00 57.03 57.14 2ai6 h ASP 63 Cb 0.25 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 2ai6 h ASP 63 CO 0.02 0.96 0.42 0.24 -2.88 0.00 0.00 179.24 178.01 2ai6 h MET 64 N 0.65 0.76 0.00 0.28 2.86 -0.89 -0.79 114.93 117.81 2ai6 h MET 64 Ca 0.12 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2ai6 h MET 64 Cb 0.58 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2ai6 h MET 64 CO 0.03 0.51 -0.44 1.96 1.06 0.00 0.00 176.91 180.03 2ai6 h GLN 65 N 0.79 0.00 -0.66 1.72 4.20 -0.79 0.82 115.11 121.18 2ai6 h GLN 65 Ca 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 2ai6 h GLN 65 Cb 0.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2ai6 h GLN 65 CO -0.16 0.44 0.32 -0.22 -0.67 0.00 0.00 178.83 178.53 2ai6 h LYS 66 N 0.00 0.95 -0.55 1.46 3.64 0.03 -2.08 116.57 120.01 2ai6 h LYS 66 Ca -0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 2ai6 h LYS 66 Cb 0.78 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2ai6 h LYS 66 CO 0.06 0.75 0.05 1.96 -2.27 0.00 0.00 179.45 180.00 2ai6 h GLN 67 N 0.91 0.91 0.00 1.90 4.20 -0.69 -3.47 115.11 118.88 2ai6 h GLN 67 Ca 0.23 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2ai6 h GLN 67 Cb 0.12 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2ai6 h GLN 67 CO -0.03 0.88 0.00 0.41 -0.67 0.00 0.00 178.83 179.42 2ai6 n GLY 68 N -0.63 0.36 3.58 3.46 0.00 0.07 -0.91 105.19 111.11 2ai6 n GLY 68 Ca 0.03 0.00 -0.29 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 -3.19 2.40 0.14 0.00 2.15 -1.25 -3.89 116.67 113.03 2ai6 s ASP 70 Ca 0.67 -0.39 -0.03 0.00 0.43 0.00 0.00 52.55 53.23 2ai6 s ASP 70 Cb -0.19 -0.56 -0.03 0.00 -0.30 0.00 0.00 42.92 41.84 2ai6 s ASP 70 CO 0.60 0.20 0.12 0.00 -0.17 0.00 0.00 175.17 175.92 2ai6 s GLU 72 N -4.03 0.51 -0.34 0.00 2.12 -0.86 -4.99 118.70 111.12 2ai6 s GLU 72 Ca 0.22 0.89 -0.28 0.00 0.36 0.00 0.00 54.97 56.16 2ai6 s GLU 72 Cb 0.06 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 2ai6 s GLU 72 CO 0.01 -0.14 1.78 0.00 -0.54 0.00 0.00 175.26 176.38 2ai6 h LEU 74 N 13.69 0.00 0.00 0.00 3.38 -1.25 -3.48 115.31 127.64 2ai6 h LEU 74 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 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 1.04 0.20 0.00 0.61 0.09 0.00 0.00 178.44 180.38 2ai6 n GLY 75 N -0.77 -1.12 0.00 0.83 0.00 -1.22 -4.70 105.19 98.22 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 2.02 0.00 -0.02 0.00 -0.96 -1.50 105.19 104.73 2ai6 n GLY 76 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.81 3.31 -0.02 0.00 -1.01 -2.09 105.19 106.20 2ai6 n GLY 77 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 1.03 1.22 -0.01 1.61 3.52 0.11 -1.64 118.95 124.79 2ai6 s ARG 78 Ca 0.00 -1.34 0.04 0.00 -0.13 0.00 0.00 55.73 54.30 2ai6 s ARG 78 Cb 0.00 -1.30 -0.01 0.00 -1.56 0.00 0.00 34.95 32.08 2ai6 s ARG 78 CO 0.00 0.27 -0.13 0.42 -0.81 0.00 0.00 175.30 175.05 2ai6 s ILE 79 N -1.88 1.04 0.17 4.11 1.01 0.17 -1.22 121.20 124.59 2ai6 s ILE 79 Ca 0.13 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 2ai6 s ILE 79 Cb -0.06 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.55 2ai6 s ILE 79 CO 0.06 0.30 0.40 -0.44 0.00 0.00 0.00 174.94 175.25 2ai6 s SER 80 N -0.26 -0.12 0.69 3.58 0.01 -0.88 -1.41 113.70 115.31 2ai6 s SER 80 Ca 0.04 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 2ai6 s SER 80 Cb -0.06 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2ai6 s SER 80 CO -0.00 -0.94 1.28 -1.38 0.41 0.00 0.00 173.24 172.60 2ai6 s HIS 81 N -3.90 2.00 0.82 2.43 -3.43 -0.63 -0.51 115.29 112.07 2ai6 s HIS 81 Ca 0.11 1.53 -0.12 0.00 -0.80 0.00 0.00 55.06 55.77 2ai6 s HIS 81 Cb 0.01 -3.65 0.09 0.00 -1.43 0.00 0.00 32.58 27.60 2ai6 s HIS 81 CO -0.04 -2.93 1.18 -0.65 -2.00 0.00 0.00 174.74 170.29 2ai6 s GLN 82 N -3.56 1.63 0.00 -0.38 -0.21 0.08 -4.76 119.66 112.46 2ai6 s GLN 82 Ca 0.81 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.82 2ai6 s GLN 82 Cb -0.36 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2ai6 s GLN 82 CO 0.42 -2.20 0.29 0.43 -2.12 0.00 0.00 175.29 172.12 2ai6 n SER 83 N -3.46 0.34 0.00 5.90 7.64 -1.26 -3.02 113.62 119.75 2ai6 n SER 83 Ca 0.13 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2ai6 n SER 83 Cb 0.51 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2ai6 n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ai6 n GLN 84 N 0.07 2.70 -3.49 1.43 10.64 -1.26 -5.15 117.38 122.32 2ai6 n GLN 84 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 2ai6 n GLN 84 Cb 0.09 -0.22 -0.04 0.00 -0.86 0.00 0.00 30.24 29.20 2ai6 n GLN 84 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2ai6 s ASP 85 N 0.00 -0.57 0.64 2.61 2.15 -1.17 -5.05 116.67 115.29 2ai6 s ASP 85 Ca 0.00 0.35 0.42 0.00 0.43 0.00 0.00 52.55 53.75 2ai6 s ASP 85 Cb 0.00 0.53 2.21 0.00 -0.30 0.00 0.00 42.92 45.35 2ai6 s ASP 85 CO 0.00 -0.72 2.30 0.11 -0.17 0.00 0.00 175.17 176.68 2ai6 h LYS 86 N 2.48 0.00 -6.09 4.34 1.79 -1.96 -2.64 116.57 114.49 2ai6 h LYS 86 Ca -0.28 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.40 2ai6 h LYS 86 Cb 1.22 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2ai6 h LYS 86 CO 0.37 0.00 0.67 1.17 -1.08 0.00 0.00 179.45 180.58 2ai6 n LYS 87 N -3.13 0.60 -2.20 3.15 4.81 -1.26 -4.59 118.16 115.54 2ai6 n LYS 87 Ca -0.02 0.22 -0.29 0.00 -0.87 0.00 0.00 58.31 57.34 2ai6 n LYS 87 Cb 0.12 -1.81 0.01 0.00 0.02 0.00 0.00 35.03 33.37 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2ai6 s ILE 88 N 2.54 4.64 -0.02 3.15 -0.00 -1.26 -0.74 121.20 129.51 2ai6 s ILE 88 Ca 0.98 0.54 -0.02 0.00 -0.00 0.00 0.00 60.65 62.15 2ai6 s ILE 88 Cb -1.24 -3.82 0.00 0.00 -0.00 0.00 0.00 42.46 37.41 2ai6 s ILE 88 CO 0.68 -0.96 0.05 -2.28 -0.00 0.00 0.00 174.94 172.43 2ai6 s HIS 89 N -3.01 -0.04 -0.14 1.37 2.46 0.33 -3.23 115.29 113.04 2ai6 s HIS 89 Ca 0.52 0.10 -0.01 0.00 0.47 0.00 0.00 55.06 56.15 2ai6 s HIS 89 Cb -0.11 0.01 -0.02 0.00 -0.13 0.00 0.00 32.58 32.34 2ai6 s HIS 89 CO 0.50 -0.04 -0.11 0.08 -2.47 0.00 0.00 174.74 172.70 2ai6 s VAL 90 N -0.07 3.21 0.19 0.89 1.01 -0.10 -2.07 120.40 123.46 2ai6 s VAL 90 Ca -0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2ai6 s VAL 90 Cb -0.01 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 34.03 2ai6 s VAL 90 CO 0.00 0.52 0.37 0.00 0.00 0.00 0.00 175.10 175.99 2ai6 n TYR 91 N 3.56 -1.64 -4.26 5.22 4.11 -0.35 -2.28 117.16 121.52 2ai6 n TYR 91 Ca -0.18 -0.89 0.00 0.00 -0.00 0.00 0.00 57.90 56.83 2ai6 n TYR 91 Cb 0.53 0.44 0.00 0.00 -0.00 0.00 0.00 39.34 40.30 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 -0.25 -1.00 3.28 -7.48 0.00 -0.20 -0.71 105.19 98.83 2ai6 n GLY 92 Ca -0.04 -1.20 -0.13 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 -0.22 0.03 1.61 1.13 -1.26 -4.67 117.35 113.96 2ai6 s TYR 93 Ca 0.00 0.25 -0.30 0.00 -1.41 0.00 0.00 57.07 55.61 2ai6 s TYR 93 Cb 0.00 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 2ai6 s TYR 93 CO 0.00 -0.48 0.99 -1.12 -2.51 0.00 0.00 175.55 172.43 2ai6 s SER 94 N -1.65 7.37 0.37 -0.18 0.01 -0.89 -4.56 113.70 114.18 2ai6 s SER 94 Ca -0.09 1.71 0.04 0.00 1.31 0.00 0.00 55.95 58.92 2ai6 s SER 94 Cb -0.03 -2.57 0.71 0.00 0.21 0.00 0.00 66.02 64.34 2ai6 s SER 94 CO 0.01 -0.24 2.01 -0.03 0.41 0.00 0.00 173.24 175.40 2ai6 h MET 95 N 6.56 0.69 0.00 12.44 4.05 -1.94 0.72 114.93 137.45 2ai6 h MET 95 Ca -0.41 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2ai6 h MET 95 Cb 1.22 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2ai6 h MET 95 CO 0.75 0.49 -1.10 0.00 0.23 0.00 0.00 176.91 177.27 2ai6 n ALA 96 N -2.46 3.02 -0.16 0.39 0.00 -1.26 -4.53 120.51 115.51 2ai6 n ALA 96 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2ai6 n ALA 96 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2ai6 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ai6 n TYR 97 N -2.22 0.00 -0.31 0.00 4.01 -1.09 -5.15 117.16 112.40 2ai6 n TYR 97 Ca 0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 2ai6 n TYR 97 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.36 -1.54 3.74 2.72 0.00 0.23 -4.36 105.19 106.34 2ai6 n GLY 98 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.46 4.43 0.93 1.61 0.04 -1.26 -2.25 135.00 137.03 2ai6 s PRO 99 Ca 0.00 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 2ai6 s PRO 99 Cb 0.00 -3.20 0.15 0.00 0.04 0.00 0.00 34.50 31.49 2ai6 s PRO 99 CO 0.00 -0.17 1.13 0.00 0.04 0.00 0.00 177.00 178.00 2ai6 s ALA 100 N -0.12 1.63 -1.22 8.56 0.00 -1.07 -4.63 121.76 124.91 2ai6 s ALA 100 Ca 0.54 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 2ai6 s ALA 100 Cb -0.35 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 19.78 2ai6 s ALA 100 CO 0.39 -2.38 1.67 -0.65 0.00 0.00 0.00 175.76 174.79 2ai6 s GLN 101 N -5.23 3.84 0.55 0.00 -1.52 -1.26 -4.81 119.66 111.23 2ai6 s GLN 101 Ca 0.64 -1.73 0.34 0.00 -1.95 0.00 0.00 55.36 52.66 2ai6 s GLN 101 Cb -0.15 -5.48 1.87 0.00 -0.22 0.00 0.00 33.01 29.03 2ai6 s GLN 101 CO 0.54 -2.30 2.05 0.45 -0.25 0.00 0.00 175.29 175.78 2ai6 h HIS 102 N 8.25 0.00 -0.90 0.91 3.86 -1.96 0.62 115.15 125.93 2ai6 h HIS 102 Ca 0.37 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.67 2ai6 h HIS 102 Cb 0.91 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.32 2ai6 h HIS 102 CO 1.38 0.00 0.58 0.00 0.86 0.00 0.00 177.93 180.76 2ai6 h ALA 103 N 1.84 1.57 -0.03 2.45 0.00 -1.98 -0.85 119.26 122.27 2ai6 h ALA 103 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ai6 h ALA 103 Cb 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ai6 h ALA 103 CO 0.00 0.27 0.01 0.82 0.00 0.00 0.00 179.25 180.35 2ai6 h ILE 104 N 0.96 1.12 0.04 0.00 1.08 -1.28 -2.51 117.51 116.92 2ai6 h ILE 104 Ca 0.40 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 2ai6 h ILE 104 Cb 0.31 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 2ai6 h ILE 104 CO -0.16 0.09 -0.16 0.28 -0.69 0.00 0.00 178.15 177.51 2ai6 h SER 105 N -0.10 -0.45 -0.56 1.72 0.02 -1.42 -0.08 113.55 112.67 2ai6 h SER 105 Ca 0.01 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2ai6 h SER 105 Cb 0.14 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2ai6 h SER 105 CO -0.00 -0.22 0.28 0.71 -1.14 0.00 0.00 176.83 176.46 2ai6 h THR 106 N -0.28 1.20 -0.19 -2.27 1.35 -1.21 0.11 112.91 111.60 2ai6 h THR 106 Ca 0.04 -0.54 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2ai6 h THR 106 Cb 0.33 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2ai6 h THR 106 CO -0.12 0.22 0.11 -0.33 -0.25 0.00 0.00 175.52 175.15 2ai6 h GLU 107 N 0.76 0.27 -0.21 4.72 5.08 -1.14 0.20 114.58 124.25 2ai6 h GLU 107 Ca 0.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2ai6 h GLU 107 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2ai6 h GLU 107 CO -0.03 0.24 0.06 0.87 -1.00 0.00 0.00 179.01 179.15 2ai6 h LYS 108 N 0.22 0.34 -0.16 2.33 1.79 -0.75 -0.62 116.57 119.72 2ai6 h LYS 108 Ca 0.07 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2ai6 h LYS 108 Cb 0.05 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2ai6 h LYS 108 CO -0.01 0.45 0.09 0.82 -1.08 0.00 0.00 179.45 179.71 2ai6 h ILE 109 N 0.16 1.09 -0.78 1.86 2.04 -0.71 -0.90 117.51 120.27 2ai6 h ILE 109 Ca 0.07 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2ai6 h ILE 109 Cb 0.26 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2ai6 h ILE 109 CO -0.00 0.08 0.40 0.11 0.00 0.00 0.00 178.15 178.74 2ai6 h LYS 110 N 0.17 1.11 -0.65 2.37 1.57 -0.84 0.23 116.57 120.52 2ai6 h LYS 110 Ca 0.06 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2ai6 h LYS 110 Cb 0.05 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2ai6 h LYS 110 CO -0.01 0.84 0.20 0.00 -0.57 0.00 0.00 179.45 179.91 2ai6 h ALA 111 N 1.33 0.86 0.00 3.86 0.00 -0.74 -3.04 119.26 121.53 2ai6 h ALA 111 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ai6 h ALA 111 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ai6 h ALA 111 CO -0.04 0.54 -0.51 1.63 0.00 0.00 0.00 179.25 180.86 2ai6 n LYS 112 N -4.34 0.18 -4.11 0.00 4.76 -0.38 -5.01 118.16 109.26 2ai6 n LYS 112 Ca 0.04 0.06 -0.35 0.00 -2.87 0.00 0.00 58.31 55.19 2ai6 n LYS 112 Cb 0.22 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 2ai6 n LYS 112 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 2ai6 n TYR 113 N -1.87 -1.44 0.09 2.13 4.11 0.77 -4.89 117.16 116.06 2ai6 n TYR 113 Ca 0.04 0.44 0.17 0.00 -0.00 0.00 0.00 57.90 58.54 2ai6 n TYR 113 Cb 0.40 -3.03 0.69 0.00 -0.00 0.00 0.00 39.34 37.40 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 2ai6 h PRO 114 N -2.10 0.00 -4.41 -3.48 0.11 -1.91 -3.42 132.00 116.80 2ai6 h PRO 114 Ca -0.67 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.27 2ai6 h PRO 114 Cb 1.39 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.35 2ai6 h PRO 114 CO 0.61 0.00 -0.68 0.34 -0.21 0.00 0.00 178.00 178.06 2ai6 s ASP 115 N -6.39 0.66 0.41 -2.05 2.15 -1.26 -5.08 116.67 105.10 2ai6 s ASP 115 Ca -0.05 -1.05 0.08 0.00 0.43 0.00 0.00 52.55 51.96 2ai6 s ASP 115 Cb 0.18 0.19 0.87 0.00 -0.30 0.00 0.00 42.92 43.86 2ai6 s ASP 115 CO 0.69 -0.59 2.02 1.88 -0.17 0.00 0.00 175.17 179.01 2ai6 h TYR 116 N 3.03 0.41 -3.10 -5.34 0.05 -1.96 -3.45 116.97 106.61 2ai6 h TYR 116 Ca -0.35 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.41 2ai6 h TYR 116 Cb 1.16 -0.13 -0.11 0.00 1.01 0.00 0.00 36.73 38.65 2ai6 h TYR 116 CO 0.53 0.32 0.15 -2.00 -1.05 0.00 0.00 178.16 176.10 2ai6 s GLU 117 N -5.25 1.30 0.22 4.88 2.12 -1.26 -4.97 118.70 115.75 2ai6 s GLU 117 Ca -0.07 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.61 2ai6 s GLU 117 Cb 0.17 0.56 -0.03 0.00 0.26 0.00 0.00 34.13 35.10 2ai6 s GLU 117 CO 0.73 -0.56 0.28 0.14 -0.54 0.00 0.00 175.26 175.30 2ai6 s VAL 118 N -3.79 0.00 0.23 3.70 -7.23 -1.26 -4.47 120.40 107.58 2ai6 s VAL 118 Ca 0.03 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2ai6 s VAL 118 Cb -0.01 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2ai6 s VAL 118 CO -0.10 0.00 0.20 0.42 -0.31 0.00 0.00 175.10 175.31 2ai6 s THR 119 N -4.07 0.00 0.14 5.32 -4.23 -1.20 -5.01 115.64 106.60 2ai6 s THR 119 Ca 0.32 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 2ai6 s THR 119 Cb 0.04 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2ai6 s THR 119 CO 0.11 0.00 0.22 -1.66 -0.54 0.00 0.00 174.62 172.75 2ai6 s TRP 120 N -4.01 0.44 -0.09 3.99 1.48 -1.26 -0.93 118.94 118.57 2ai6 s TRP 120 Ca 0.37 -0.82 -0.13 0.00 -1.06 0.00 0.00 56.10 54.47 2ai6 s TRP 120 Cb 0.05 -0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.25 2ai6 s TRP 120 CO 0.14 -0.65 0.33 0.00 -4.06 0.00 0.00 176.95 172.71 2ai6 s ALA 121 N -3.96 -0.81 -0.07 2.67 0.00 -0.97 -4.93 121.76 113.69 2ai6 s ALA 121 Ca 0.16 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 2ai6 s ALA 121 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ai6 s ALA 121 CO -0.02 -0.19 2.32 0.27 0.00 0.00 0.00 175.76 178.14 2ai6 n ASN 122 N 2.35 5.56 -0.08 0.00 6.94 -1.26 -4.19 115.26 124.58 2ai6 n ASN 122 Ca -0.16 -2.56 0.00 0.00 -0.02 0.00 0.00 54.58 51.84 2ai6 n ASN 122 Cb 0.57 -1.17 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ai6 n ASP 123 N 1.46 0.00 0.00 0.53 -0.08 -1.26 -4.91 116.55 112.29 2ai6 n ASP 123 Ca 0.14 -0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2ai6 n ASP 123 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 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 0.00 2.70 2.65 0.27 0.00 -1.26 -1.03 105.19 108.52 2ai6 n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60