#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 -0.40 0.93 -5.12 0.00 -1.26 -5.17 121.76 110.75 2ai6 s ALA 2 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 2ai6 s ALA 2 Cb 0.00 0.84 0.15 0.00 0.00 0.00 0.00 23.12 24.11 2ai6 s ALA 2 CO 0.00 -0.71 1.09 0.14 0.00 0.00 0.00 175.76 176.29 2ai6 s VAL 3 N -3.92 2.49 1.29 0.00 -7.23 -1.26 -5.06 120.40 106.71 2ai6 s VAL 3 Ca 0.13 0.16 -0.20 0.00 -1.81 0.00 0.00 61.98 60.26 2ai6 s VAL 3 Cb 0.02 -2.45 0.32 0.00 0.56 0.00 0.00 36.38 34.82 2ai6 s VAL 3 CO -0.02 -0.21 1.04 0.00 -0.31 0.00 0.00 175.10 175.60 2ai6 s ALA 4 N -2.77 0.03 0.04 1.32 0.00 -1.26 -5.09 121.76 114.02 2ai6 s ALA 4 Ca 0.65 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2ai6 s ALA 4 Cb -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2ai6 s ALA 4 CO 0.58 -4.00 0.18 0.34 0.00 0.00 0.00 175.76 172.87 2ai6 s ASP 5 N -3.54 0.06 0.42 0.00 2.15 -1.26 -4.69 116.67 109.82 2ai6 s ASP 5 Ca 0.70 -0.41 0.18 0.00 0.43 0.00 0.00 52.55 53.45 2ai6 s ASP 5 Cb -0.12 0.29 1.09 0.00 -0.30 0.00 0.00 42.92 43.88 2ai6 s ASP 5 CO 0.57 -0.56 1.87 -0.07 -0.17 0.00 0.00 175.17 176.80 2ai6 h LEU 6 N 3.43 0.39 -1.21 -1.34 3.38 -1.95 0.42 115.31 118.43 2ai6 h LEU 6 Ca -0.32 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2ai6 h LEU 6 Cb 1.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2ai6 h LEU 6 CO 0.49 0.16 -0.22 0.00 0.09 0.00 0.00 178.44 178.96 2ai6 h ALA 7 N 1.61 1.05 0.00 1.53 0.00 -2.01 -3.00 119.26 118.45 2ai6 h ALA 7 Ca 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2ai6 h ALA 7 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ai6 h ALA 7 CO -0.16 0.28 -0.71 -0.07 0.00 0.00 0.00 179.25 178.59 2ai6 h LEU 8 N 0.00 0.00 -9.60 0.00 3.38 -1.33 -3.45 115.31 104.30 2ai6 h LEU 8 Ca -0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 2ai6 h LEU 8 Cb 0.70 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.51 2ai6 h LEU 8 CO 0.03 0.00 1.01 -0.38 0.09 0.00 0.00 178.44 179.20 2ai6 n ILE 9 N -2.77 0.09 -1.64 1.22 5.41 -1.04 -4.94 119.36 115.70 2ai6 n ILE 9 Ca 0.01 -0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.30 2ai6 n ILE 9 Cb 0.54 -1.97 -0.02 0.00 -0.71 0.00 0.00 39.64 37.48 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 4.32 1.71 0.03 0.38 -0.02 -1.26 -4.94 135.00 135.22 2ai6 n PRO 10 Ca 0.17 0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 62.03 2ai6 n PRO 10 Cb 0.35 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 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 2.82 0.48 -3.84 2.55 3.58 -1.92 -3.46 116.42 116.62 2ai6 h ASP 11 Ca -0.43 -0.90 -0.20 0.00 0.42 0.00 0.00 57.03 55.92 2ai6 h ASP 11 Cb 1.31 -0.15 -0.27 0.00 1.72 0.00 0.00 39.33 41.94 2ai6 h ASP 11 CO 0.66 1.73 -0.60 -0.69 -2.88 0.00 0.00 179.24 177.45 2ai6 s VAL 12 N -2.53 0.01 -0.27 2.25 1.01 -1.26 -2.06 120.40 117.54 2ai6 s VAL 12 Ca -0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2ai6 s VAL 12 Cb 0.05 -0.16 0.15 0.00 0.00 0.00 0.00 36.38 36.42 2ai6 s VAL 12 CO 0.80 -0.02 0.54 -0.62 0.00 0.00 0.00 175.10 175.80 2ai6 s ASP 13 N -0.03 -0.84 0.06 3.32 2.15 -1.01 -5.00 116.67 115.31 2ai6 s ASP 13 Ca -0.01 0.96 -0.04 0.00 0.43 0.00 0.00 52.55 53.90 2ai6 s ASP 13 Cb -0.01 1.88 -0.03 0.00 -0.30 0.00 0.00 42.92 44.46 2ai6 s ASP 13 CO 0.00 -0.25 0.05 0.27 -0.17 0.00 0.00 175.17 175.06 2ai6 s ILE 14 N 2.77 0.19 0.13 4.11 -4.36 -1.26 -3.68 121.20 119.10 2ai6 s ILE 14 Ca 0.09 -1.57 -0.31 0.00 -0.26 0.00 0.00 60.65 58.60 2ai6 s ILE 14 Cb -0.14 -1.42 -0.10 0.00 1.25 0.00 0.00 42.46 42.05 2ai6 s ILE 14 CO -0.18 -0.87 1.74 -0.62 0.24 0.00 0.00 174.94 175.25 2ai6 s ASP 15 N -2.85 6.48 0.38 4.36 2.15 -0.80 -4.92 116.67 121.48 2ai6 s ASP 15 Ca 0.06 2.69 0.13 0.00 0.43 0.00 0.00 52.55 55.86 2ai6 s ASP 15 Cb 0.06 -2.57 0.76 0.00 -0.30 0.00 0.00 42.92 40.87 2ai6 s ASP 15 CO -0.10 -0.95 1.85 0.28 -0.17 0.00 0.00 175.17 176.08 2ai6 h SER 16 N 8.07 0.00 -2.77 -0.34 0.02 -1.94 -3.44 113.55 113.14 2ai6 h SER 16 Ca -0.44 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 2ai6 h SER 16 Cb 1.21 -0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.54 2ai6 h SER 16 CO 0.94 0.35 -0.04 -0.62 -1.14 0.00 0.00 176.83 176.31 2ai6 s ASP 17 N -6.95 -0.95 0.00 3.07 2.15 -1.26 -4.68 116.67 108.05 2ai6 s ASP 17 Ca -0.03 1.48 0.00 0.00 0.43 0.00 0.00 52.55 54.43 2ai6 s ASP 17 Cb 0.15 1.56 0.00 0.00 -0.30 0.00 0.00 42.92 44.33 2ai6 s ASP 17 CO 0.72 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 176.10 2ai6 n GLY 18 N 4.60 0.19 2.87 2.66 0.00 -1.23 -5.01 105.19 109.29 2ai6 n GLY 18 Ca -0.18 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.18 1.12 0.30 1.61 1.01 -1.26 -2.42 120.40 117.58 2ai6 s VAL 19 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 2ai6 s VAL 19 Cb 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2ai6 s VAL 19 CO 0.00 -0.04 0.70 0.72 0.00 0.00 0.00 175.10 176.48 2ai6 s PHE 20 N 1.60 -0.01 0.14 5.22 -0.71 -0.43 -4.85 117.98 118.95 2ai6 s PHE 20 Ca -0.02 -0.49 0.08 0.00 -1.04 0.00 0.00 56.93 55.46 2ai6 s PHE 20 Cb -0.17 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 2ai6 s PHE 20 CO -0.07 -1.29 -0.09 0.15 -1.34 0.00 0.00 175.22 172.58 2ai6 s LYS 21 N -3.50 2.12 0.18 1.99 1.02 -1.26 -0.91 119.74 119.39 2ai6 s LYS 21 Ca 0.14 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 2ai6 s LYS 21 Cb -0.05 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 2ai6 s LYS 21 CO 0.09 0.47 0.12 1.52 -0.92 0.00 0.00 175.35 176.62 2ai6 s TYR 22 N -1.47 1.06 0.03 3.18 1.13 -0.60 -2.72 117.35 117.96 2ai6 s TYR 22 Ca 0.23 -1.32 -0.03 0.00 -1.41 0.00 0.00 57.07 54.53 2ai6 s TYR 22 Cb -0.10 -0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 40.22 2ai6 s TYR 22 CO 0.15 -0.61 0.05 0.54 -2.51 0.00 0.00 175.55 173.16 2ai6 s VAL 23 N -4.13 0.13 -0.25 -3.49 0.11 -0.24 -2.58 120.40 109.95 2ai6 s VAL 23 Ca 0.35 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 2ai6 s VAL 23 Cb 0.07 -0.67 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2ai6 s VAL 23 CO 0.09 -0.57 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.02 2ai6 s LEU 24 N -1.86 3.28 -0.07 2.54 2.96 -0.43 -2.61 118.68 122.49 2ai6 s LEU 24 Ca -0.09 -0.89 0.05 0.00 -0.22 0.00 0.00 54.13 52.98 2ai6 s LEU 24 Cb -0.04 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2ai6 s LEU 24 CO -0.03 -0.14 -0.24 0.27 -1.32 0.00 0.00 176.35 174.89 2ai6 s ILE 25 N 1.33 2.15 0.36 6.68 -4.36 -0.70 -0.65 121.20 126.00 2ai6 s ILE 25 Ca -0.00 -1.02 -0.22 0.00 -0.26 0.00 0.00 60.65 59.15 2ai6 s ILE 25 Cb -0.17 -1.79 -0.10 0.00 1.25 0.00 0.00 42.46 41.65 2ai6 s ILE 25 CO -0.04 0.57 0.90 -0.60 0.24 0.00 0.00 174.94 176.00 2ai6 s ARG 26 N -0.04 4.33 0.01 0.37 3.52 0.47 -0.73 118.95 126.88 2ai6 s ARG 26 Ca -0.07 1.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 2ai6 s ARG 26 Cb -0.15 -2.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.72 2ai6 s ARG 26 CO 0.05 0.15 -0.05 0.54 -0.81 0.00 0.00 175.30 175.18 2ai6 s VAL 27 N -1.88 0.33 0.06 7.11 0.11 0.16 -1.37 120.40 124.91 2ai6 s VAL 27 Ca 0.55 -0.44 0.07 0.00 -2.93 0.00 0.00 61.98 59.22 2ai6 s VAL 27 Cb -0.13 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2ai6 s VAL 27 CO 0.18 -0.08 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.73 2ai6 s HIS 28 N -0.52 2.65 -0.43 1.54 0.09 -0.42 -1.71 115.29 116.49 2ai6 s HIS 28 Ca -0.03 -0.20 -0.27 0.00 -0.00 0.00 0.00 55.06 54.57 2ai6 s HIS 28 Cb -0.04 -1.46 -0.05 0.00 -0.00 0.00 0.00 32.58 31.02 2ai6 s HIS 28 CO -0.00 0.33 2.20 -1.12 -0.00 0.00 0.00 174.74 176.16 2ai6 s SER 29 N -1.72 4.98 0.00 1.40 0.01 -0.52 -3.96 113.70 113.88 2ai6 s SER 29 Ca 0.17 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2ai6 s SER 29 Cb -0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2ai6 s SER 29 CO 0.08 -2.45 0.61 0.00 0.41 0.00 0.00 173.24 171.89 2ai6 n ALA 30 N 13.76 1.86 -1.56 1.44 0.00 -1.26 -4.54 120.51 130.21 2ai6 n ALA 30 Ca 0.31 -0.33 -0.61 0.00 0.00 0.00 0.00 53.44 52.81 2ai6 n ALA 30 Cb 0.51 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 2ai6 n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ai6 n PRO 31 N 0.00 0.05 -3.30 0.00 -0.02 -1.26 -1.08 135.00 129.39 2ai6 n PRO 31 Ca 0.00 0.02 -0.25 0.00 -2.02 0.00 0.00 63.50 61.25 2ai6 n PRO 31 Cb 0.56 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 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 2.10 -0.84 -2.65 -0.52 5.12 0.39 -1.28 116.66 118.98 2ai6 n ARG 32 Ca 0.22 0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 56.06 2ai6 n ARG 32 Cb 0.05 -2.81 -0.00 0.00 -1.16 0.00 0.00 32.46 28.54 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ai6 n SER 33 N -1.14 -4.33 -0.34 0.55 7.64 -0.24 -4.82 113.62 110.94 2ai6 n SER 33 Ca 0.07 0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.98 2ai6 n SER 33 Cb 0.27 -3.63 0.01 0.00 -1.01 0.00 0.00 64.21 59.85 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 -0.96 0.08 3.75 0.23 0.00 -0.41 -5.11 105.19 102.77 2ai6 n GLY 34 Ca -0.13 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.24 2.68 -1.08 4.61 0.00 -1.20 -4.91 121.76 121.61 2ai6 s ALA 35 Ca 0.02 1.21 0.28 0.00 0.00 0.00 0.00 51.96 53.47 2ai6 s ALA 35 Cb 0.02 -3.53 1.23 0.00 0.00 0.00 0.00 23.12 20.84 2ai6 s ALA 35 CO 0.00 -1.32 1.90 -0.35 0.00 0.00 0.00 175.76 175.99 2ai6 n PRO 36 N -1.28 0.08 -2.25 0.00 -0.04 -1.26 -4.93 135.00 125.32 2ai6 n PRO 36 Ca 0.12 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 2ai6 n PRO 36 Cb 0.47 -1.50 -0.00 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 -1.46 -0.32 -2.77 0.55 0.00 -1.26 -5.09 120.51 110.16 2ai6 n ALA 37 Ca 0.08 -0.53 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 2ai6 n ALA 37 Cb 0.30 0.42 0.01 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.16 3.38 -1.49 0.00 0.00 -1.26 -4.68 120.51 114.29 2ai6 n ALA 38 Ca -0.05 -3.44 -0.14 0.00 0.00 0.00 0.00 53.44 49.81 2ai6 n ALA 38 Cb 0.21 -0.87 0.14 0.00 0.00 0.00 0.00 19.45 18.93 2ai6 n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ai6 n GLU 39 N -0.05 -1.13 -3.69 0.00 -0.58 -1.26 -4.76 120.64 109.17 2ai6 n GLU 39 Ca 0.18 -1.30 -0.10 0.00 -0.42 0.00 0.00 57.16 55.52 2ai6 n GLU 39 Cb 0.74 -0.92 -0.05 0.00 -0.57 0.00 0.00 31.44 30.63 2ai6 n GLU 39 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ai6 s SER 40 N -4.02 -0.15 0.21 1.62 0.01 -1.26 -1.44 113.70 108.66 2ai6 s SER 40 Ca 0.48 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 2ai6 s SER 40 Cb -0.02 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2ai6 s SER 40 CO 0.34 -0.80 0.41 -1.59 0.41 0.00 0.00 173.24 172.02 2ai6 s LYS 41 N -3.65 1.37 0.21 12.44 0.00 -0.70 -5.00 119.74 124.43 2ai6 s LYS 41 Ca 0.02 -1.15 0.07 0.00 0.00 0.00 0.00 55.97 54.91 2ai6 s LYS 41 Cb 0.02 0.44 -0.04 0.00 0.00 0.00 0.00 37.83 38.26 2ai6 s LYS 41 CO -0.11 -0.55 0.10 -1.21 0.00 0.00 0.00 175.35 173.59 2ai6 s GLU 42 N -3.97 2.69 0.05 1.78 8.01 -1.26 -0.67 118.70 125.33 2ai6 s GLU 42 Ca 0.18 -1.08 0.01 0.00 0.01 0.00 0.00 54.97 54.09 2ai6 s GLU 42 Cb 0.01 -2.47 -0.03 0.00 -4.31 0.00 0.00 34.13 27.33 2ai6 s GLU 42 CO 0.04 0.43 -0.05 0.96 0.01 0.00 0.00 175.26 176.64 2ai6 s ILE 43 N -1.98 0.40 -0.15 -1.63 -4.36 0.09 -4.96 121.20 108.61 2ai6 s ILE 43 Ca 0.31 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 2ai6 s ILE 43 Cb -0.08 -1.06 0.01 0.00 1.25 0.00 0.00 42.46 42.57 2ai6 s ILE 43 CO 0.22 -0.70 -0.20 -0.69 0.24 0.00 0.00 174.94 173.81 2ai6 s VAL 44 N -2.67 2.22 0.04 8.37 1.01 -0.88 -1.72 120.40 126.77 2ai6 s VAL 44 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2ai6 s VAL 44 Cb -0.01 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2ai6 s VAL 44 CO -0.04 0.54 -0.08 -0.13 0.00 0.00 0.00 175.10 175.39 2ai6 s ARG 45 N 0.95 0.52 0.00 2.72 1.81 -1.07 -2.41 118.95 121.47 2ai6 s ARG 45 Ca -0.03 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2ai6 s ARG 45 Cb -0.15 -0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.05 2ai6 s ARG 45 CO -0.04 0.06 0.00 0.41 -0.68 0.00 0.00 175.30 175.04 2ai6 n GLY 46 N 1.57 1.29 3.34 -3.53 0.00 -1.24 -1.08 105.19 105.54 2ai6 n GLY 46 Ca -0.22 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.58 -0.29 0.41 1.61 1.51 -1.10 -1.90 117.35 117.00 2ai6 s TYR 47 Ca 0.00 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 2ai6 s TYR 47 Cb 0.00 0.25 0.84 0.00 -0.11 0.00 0.00 41.96 42.94 2ai6 s TYR 47 CO 0.00 -0.60 2.05 -0.22 -1.11 0.00 0.00 175.55 175.67 2ai6 h LYS 48 N 2.89 0.55 0.00 -0.62 3.64 -1.89 -2.23 116.57 118.91 2ai6 h LYS 48 Ca -0.31 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 2ai6 h LYS 48 Cb 1.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2ai6 h LYS 48 CO 0.43 0.37 -0.19 0.11 -2.27 0.00 0.00 179.45 177.91 2ai6 h TRP 49 N 0.57 0.00 -1.08 1.91 5.08 -1.97 -3.26 115.95 117.20 2ai6 h TRP 49 Ca 0.15 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.42 2ai6 h TRP 49 Cb -0.05 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.01 2ai6 h TRP 49 CO 0.00 0.19 2.14 0.00 -1.28 0.00 0.00 178.44 179.48 2ai6 n ALA 50 N -2.44 4.06 0.21 0.11 0.00 -0.84 -4.76 120.51 116.85 2ai6 n ALA 50 Ca -0.02 -3.98 0.03 0.00 0.00 0.00 0.00 53.44 49.46 2ai6 n ALA 50 Cb 0.26 -3.42 0.13 0.00 0.00 0.00 0.00 19.45 16.41 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 7.07 0.01 -3.87 0.00 -0.58 -1.23 -4.38 120.64 117.65 2ai6 n GLU 51 Ca 0.46 0.38 -0.12 0.00 -0.42 0.00 0.00 57.16 57.46 2ai6 n GLU 51 Cb 0.43 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.67 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 -2.96 -0.00 0.46 -0.32 1.13 -1.26 -4.99 117.35 109.41 2ai6 s TYR 52 Ca 0.03 0.01 0.15 0.00 -1.41 0.00 0.00 57.07 55.85 2ai6 s TYR 52 Cb 0.04 -0.01 1.07 0.00 -1.10 0.00 0.00 41.96 41.97 2ai6 s TYR 52 CO 0.11 -0.02 2.03 0.45 -2.51 0.00 0.00 175.55 175.60 2ai6 h HIS 53 N 6.02 0.00 -0.04 -3.49 3.86 -1.90 -0.64 115.15 118.97 2ai6 h HIS 53 Ca -0.25 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.97 2ai6 h HIS 53 Cb 1.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.68 2ai6 h HIS 53 CO 0.43 0.14 0.03 0.00 0.86 0.00 0.00 177.93 179.39 2ai6 h ALA 54 N 1.86 1.91 -0.11 2.45 0.00 -1.95 -1.07 119.26 122.34 2ai6 h ALA 54 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ai6 h ALA 54 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ai6 h ALA 54 CO 0.02 -0.05 -0.00 0.22 0.00 0.00 0.00 179.25 179.44 2ai6 h ASP 55 N 0.00 0.20 -0.46 0.00 3.58 -1.49 -0.91 116.42 117.35 2ai6 h ASP 55 Ca 0.02 -0.32 -0.12 0.00 0.42 0.00 0.00 57.03 57.03 2ai6 h ASP 55 Cb 0.07 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2ai6 h ASP 55 CO -0.00 0.47 -0.20 0.16 -2.88 0.00 0.00 179.24 176.80 2ai6 h ILE 56 N -0.07 1.27 -0.39 2.25 3.07 -1.61 -0.74 117.51 121.29 2ai6 h ILE 56 Ca 0.03 -1.35 0.03 0.00 1.55 0.00 0.00 64.86 65.12 2ai6 h ILE 56 Cb 0.37 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 38.06 2ai6 h ILE 56 CO 0.01 0.46 0.20 0.22 -1.05 0.00 0.00 178.15 177.99 2ai6 h TYR 57 N 0.78 0.38 -0.05 0.16 3.20 -1.08 0.11 116.97 120.46 2ai6 h TYR 57 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2ai6 h TYR 57 Cb 0.77 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2ai6 h TYR 57 CO 0.05 0.20 0.00 0.22 -1.64 0.00 0.00 178.16 177.00 2ai6 h ASP 58 N 0.41 0.09 -0.07 -2.11 3.58 -1.09 -0.77 116.42 116.47 2ai6 h ASP 58 Ca 0.16 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2ai6 h ASP 58 Cb 0.06 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2ai6 h ASP 58 CO -0.10 0.36 0.04 0.50 -2.88 0.00 0.00 179.24 177.15 2ai6 h LYS 59 N -0.18 0.09 -0.23 0.28 3.64 -0.95 -0.03 116.57 119.20 2ai6 h LYS 59 Ca 0.02 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2ai6 h LYS 59 Cb 0.31 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2ai6 h LYS 59 CO 0.00 0.09 -0.19 0.28 -2.27 0.00 0.00 179.45 177.35 2ai6 h VAL 60 N 0.07 1.32 0.00 2.00 2.07 -0.82 -1.56 116.25 119.33 2ai6 h VAL 60 Ca 0.02 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 2ai6 h VAL 60 Cb 0.02 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2ai6 h VAL 60 CO -0.00 0.41 -0.12 0.28 0.02 0.00 0.00 177.57 178.16 2ai6 h SER 61 N 0.23 0.00 -0.06 0.57 0.02 -1.05 0.76 113.55 114.02 2ai6 h SER 61 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2ai6 h SER 61 Cb 0.74 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2ai6 h SER 61 CO 0.05 0.12 0.02 1.23 -1.14 0.00 0.00 176.83 177.11 2ai6 h GLY 62 N 0.42 0.09 0.91 -3.77 0.00 -0.48 -0.00 103.07 100.24 2ai6 h GLY 62 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2ai6 h GLY 62 CO 0.02 0.05 0.10 -1.80 0.00 0.00 0.00 176.54 174.91 2ai6 h ASP 63 N -0.07 0.35 -0.70 0.19 1.82 -0.44 -0.28 116.42 117.28 2ai6 h ASP 63 Ca 0.02 -0.16 0.04 0.00 -0.39 0.00 0.00 57.03 56.54 2ai6 h ASP 63 Cb 0.17 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.04 2ai6 h ASP 63 CO -0.00 0.41 0.42 0.24 -1.61 0.00 0.00 179.24 178.70 2ai6 h MET 64 N 0.26 0.79 -0.06 0.28 2.86 -0.88 -0.71 114.93 117.47 2ai6 h MET 64 Ca 0.08 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 2ai6 h MET 64 Cb 0.17 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2ai6 h MET 64 CO -0.01 0.52 -0.41 1.96 1.06 0.00 0.00 176.91 180.04 2ai6 h GLN 65 N 0.81 0.13 -0.60 1.72 4.20 -0.69 0.12 115.11 120.79 2ai6 h GLN 65 Ca 0.29 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 2ai6 h GLN 65 Cb 0.08 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2ai6 h GLN 65 CO -0.13 0.52 0.23 -0.22 -0.67 0.00 0.00 178.83 178.56 2ai6 h LYS 66 N 0.11 0.90 -0.05 1.46 3.64 -0.39 -1.62 116.57 120.62 2ai6 h LYS 66 Ca 0.01 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2ai6 h LYS 66 Cb 0.77 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2ai6 h LYS 66 CO 0.06 0.78 -0.10 1.96 -2.27 0.00 0.00 179.45 179.88 2ai6 h GLN 67 N 0.84 0.07 0.00 1.90 4.20 -0.49 -3.46 115.11 118.17 2ai6 h GLN 67 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2ai6 h GLN 67 Cb 0.22 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2ai6 h GLN 67 CO -0.01 0.18 0.00 0.41 -0.67 0.00 0.00 178.83 178.73 2ai6 n GLY 68 N -1.16 0.84 3.63 3.46 0.00 0.20 -0.46 105.19 111.69 2ai6 n GLY 68 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2ai6 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 s ASP 70 N -4.17 1.32 0.17 0.00 2.15 -1.25 -3.97 116.67 110.92 2ai6 s ASP 70 Ca 0.73 -0.63 -0.11 0.00 0.43 0.00 0.00 52.55 52.98 2ai6 s ASP 70 Cb -0.06 -0.01 -0.00 0.00 -0.30 0.00 0.00 42.92 42.55 2ai6 s ASP 70 CO 0.55 -0.16 0.33 0.00 -0.17 0.00 0.00 175.17 175.73 2ai6 s GLU 72 N -3.95 0.41 -0.15 0.00 2.12 -0.47 -4.99 118.70 111.66 2ai6 s GLU 72 Ca 0.16 0.87 -0.29 0.00 0.36 0.00 0.00 54.97 56.06 2ai6 s GLU 72 Cb 0.02 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 2ai6 s GLU 72 CO -0.00 -0.17 1.73 0.00 -0.54 0.00 0.00 175.26 176.27 2ai6 h LEU 74 N 11.59 0.00 0.00 0.00 3.38 -1.24 -3.48 115.31 125.57 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 0.98 0.44 0.00 0.61 0.09 0.00 0.00 178.44 180.56 2ai6 n GLY 75 N 0.01 -0.84 0.00 0.83 0.00 -1.21 -4.62 105.19 99.35 2ai6 n GLY 75 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 1.83 0.00 -0.02 0.00 -0.76 -1.31 105.19 104.92 2ai6 n GLY 76 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.86 3.40 -0.02 0.00 -1.07 -1.37 105.19 107.00 2ai6 n GLY 77 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.08 1.48 -0.07 1.61 3.52 0.01 -1.55 118.95 123.87 2ai6 s ARG 78 Ca 0.00 -1.60 0.01 0.00 -0.13 0.00 0.00 55.73 54.02 2ai6 s ARG 78 Cb 0.00 -1.55 0.02 0.00 -1.56 0.00 0.00 34.95 31.85 2ai6 s ARG 78 CO 0.00 0.30 -0.08 0.42 -0.81 0.00 0.00 175.30 175.13 2ai6 s ILE 79 N -2.31 0.87 -0.27 4.11 1.01 -0.08 -1.74 121.20 122.79 2ai6 s ILE 79 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 2ai6 s ILE 79 Cb -0.05 -0.85 0.15 0.00 0.01 0.00 0.00 42.46 41.72 2ai6 s ILE 79 CO 0.10 0.31 0.41 -0.44 0.00 0.00 0.00 174.94 175.32 2ai6 s SER 80 N 1.03 0.18 0.32 3.58 0.01 -1.20 -1.31 113.70 116.31 2ai6 s SER 80 Ca -0.09 -0.03 -0.18 0.00 1.31 0.00 0.00 55.95 56.96 2ai6 s SER 80 Cb -0.14 1.19 0.06 0.00 0.21 0.00 0.00 66.02 67.34 2ai6 s SER 80 CO -0.00 -0.32 0.87 -2.28 0.41 0.00 0.00 173.24 171.92 2ai6 s HIS 81 N 2.57 0.11 -0.58 2.43 5.04 -1.02 -4.50 115.29 119.34 2ai6 s HIS 81 Ca 0.12 -0.70 0.03 0.00 -1.54 0.00 0.00 55.06 52.96 2ai6 s HIS 81 Cb -0.14 0.80 0.15 0.00 0.04 0.00 0.00 32.58 33.42 2ai6 s HIS 81 CO -0.23 -1.37 0.35 -0.65 -2.34 0.00 0.00 174.74 170.50 2ai6 s GLN 82 N -2.24 2.21 0.56 2.88 1.11 -1.26 -3.48 119.66 119.44 2ai6 s GLN 82 Ca 0.18 -2.74 0.24 0.00 0.01 0.00 0.00 55.36 53.04 2ai6 s GLN 82 Cb -0.04 -3.44 1.51 0.00 -1.01 0.00 0.00 33.01 30.03 2ai6 s GLN 82 CO 0.09 -1.15 2.12 0.77 0.01 0.00 0.00 175.29 177.13 2ai6 h SER 83 N 6.41 0.00 -0.62 5.90 0.02 -1.71 -0.07 113.55 123.48 2ai6 h SER 83 Ca -0.03 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.10 2ai6 h SER 83 Cb 0.88 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2ai6 h SER 83 CO 0.70 0.00 0.44 1.56 -1.14 0.00 0.00 176.83 178.39 2ai6 h GLN 84 N 0.00 0.04 0.00 3.45 4.20 -1.90 -3.19 115.11 117.71 2ai6 h GLN 84 Ca 0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2ai6 h GLN 84 Cb 0.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2ai6 h GLN 84 CO -0.00 0.03 0.00 -3.47 -0.67 0.00 0.00 178.83 174.72 2ai6 n ASP 85 N -4.37 0.00 -3.56 1.46 2.03 -0.09 -5.08 116.55 106.94 2ai6 n ASP 85 Ca 0.12 0.17 -0.17 0.00 0.52 0.00 0.00 54.79 55.43 2ai6 n ASP 85 Cb 0.66 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.74 2ai6 n ASP 85 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ai6 s LYS 86 N -0.51 0.99 0.16 -0.67 -0.14 -0.87 -5.13 119.74 113.56 2ai6 s LYS 86 Ca 0.00 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.99 2ai6 s LYS 86 Cb 0.00 0.47 0.00 0.00 -1.68 0.00 0.00 37.83 36.62 2ai6 s LYS 86 CO 0.00 -0.27 0.00 0.36 -0.76 0.00 0.00 175.35 174.68 2ai6 n LYS 87 N 1.30 -0.98 -4.36 1.68 2.85 -1.26 -4.27 118.16 113.11 2ai6 n LYS 87 Ca -0.18 0.65 -0.18 0.00 -1.05 0.00 0.00 58.31 57.54 2ai6 n LYS 87 Cb 0.57 -1.20 -0.10 0.00 -0.65 0.00 0.00 35.03 33.65 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ai6 s ILE 88 N -1.34 0.66 -0.01 0.58 1.01 -1.00 -2.95 121.20 118.14 2ai6 s ILE 88 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 2ai6 s ILE 88 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.84 2ai6 s ILE 88 CO 0.00 0.00 0.02 -2.28 0.00 0.00 0.00 174.94 172.68 2ai6 s HIS 89 N -3.61 -0.02 -0.10 3.97 2.46 -1.26 -2.09 115.29 114.63 2ai6 s HIS 89 Ca 0.37 0.06 0.04 0.00 0.47 0.00 0.00 55.06 55.99 2ai6 s HIS 89 Cb 0.07 -0.00 -0.00 0.00 -0.13 0.00 0.00 32.58 32.52 2ai6 s HIS 89 CO 0.15 -0.01 -0.23 0.08 -2.47 0.00 0.00 174.74 172.25 2ai6 s VAL 90 N 0.06 2.15 0.33 0.89 1.01 -0.58 -3.23 120.40 121.03 2ai6 s VAL 90 Ca -0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2ai6 s VAL 90 Cb -0.01 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.61 2ai6 s VAL 90 CO -0.00 0.56 0.82 0.00 0.00 0.00 0.00 175.10 176.47 2ai6 n TYR 91 N 3.52 -2.10 -4.40 5.22 4.11 -0.71 -2.73 117.16 120.07 2ai6 n TYR 91 Ca -0.19 -1.66 0.00 0.00 -0.00 0.00 0.00 57.90 56.05 2ai6 n TYR 91 Cb 0.53 0.83 0.00 0.00 -0.00 0.00 0.00 39.34 40.70 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 -0.56 -0.39 3.13 -7.48 0.00 -0.05 -0.81 105.19 99.03 2ai6 n GLY 92 Ca -0.07 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 0.13 0.18 1.61 1.13 -1.26 -4.73 117.35 114.41 2ai6 s TYR 93 Ca 0.00 -0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 54.99 2ai6 s TYR 93 Cb 0.00 -0.09 -0.08 0.00 -1.10 0.00 0.00 41.96 40.69 2ai6 s TYR 93 CO 0.00 -0.37 1.28 -1.54 -2.51 0.00 0.00 175.55 172.41 2ai6 s SER 94 N -1.97 6.96 0.00 -0.18 1.04 -0.47 -4.46 113.70 114.62 2ai6 s SER 94 Ca -0.07 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2ai6 s SER 94 Cb -0.02 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2ai6 s SER 94 CO -0.03 -0.49 0.86 0.23 0.98 0.00 0.00 173.24 174.79 2ai6 n MET 95 N 2.80 0.69 0.00 4.02 0.00 -1.26 -2.16 117.12 121.21 2ai6 n MET 95 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.76 2ai6 n MET 95 Cb 0.44 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.50 2ai6 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ai6 n ALA 96 N 0.90 0.77 -0.73 3.04 0.00 -1.26 -4.96 120.51 118.27 2ai6 n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ai6 n ALA 96 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2ai6 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ai6 n TYR 97 N -1.50 0.00 -1.49 0.00 4.01 -1.19 -5.08 117.16 111.91 2ai6 n TYR 97 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2ai6 n TYR 97 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.33 3.74 2.72 0.00 -0.92 -4.59 105.19 103.77 2ai6 n GLY 98 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.58 4.50 0.95 1.61 0.04 -1.26 -1.72 135.00 138.53 2ai6 s PRO 99 Ca 0.00 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2ai6 s PRO 99 Cb 0.00 -3.23 0.16 0.00 0.04 0.00 0.00 34.50 31.47 2ai6 s PRO 99 CO 0.00 -0.07 1.17 0.00 0.04 0.00 0.00 177.00 178.14 2ai6 s ALA 100 N -0.18 1.81 -1.27 8.56 0.00 -1.09 -4.58 121.76 125.01 2ai6 s ALA 100 Ca 0.52 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.57 2ai6 s ALA 100 Cb -0.33 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 19.86 2ai6 s ALA 100 CO 0.38 -2.41 1.81 1.04 0.00 0.00 0.00 175.76 176.57 2ai6 n GLN 101 N -3.84 2.75 0.26 0.00 6.02 -1.26 -4.81 117.38 116.51 2ai6 n GLN 101 Ca 0.09 -3.03 0.17 0.00 -0.01 0.00 0.00 57.00 54.21 2ai6 n GLN 101 Cb 0.60 -3.55 0.90 0.00 1.02 0.00 0.00 30.24 29.20 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 8.09 0.00 -0.96 1.08 3.86 -1.96 0.16 115.15 125.41 2ai6 h HIS 102 Ca 0.39 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.63 2ai6 h HIS 102 Cb 0.88 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.30 2ai6 h HIS 102 CO 1.37 0.00 0.63 0.00 0.86 0.00 0.00 177.93 180.79 2ai6 h ALA 103 N 1.88 1.35 -0.02 2.45 0.00 -1.99 -0.91 119.26 122.02 2ai6 h ALA 103 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ai6 h ALA 103 Cb 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2ai6 h ALA 103 CO 0.00 0.57 0.01 0.82 0.00 0.00 0.00 179.25 180.65 2ai6 h ILE 104 N 1.25 1.12 -0.13 0.00 1.08 -1.09 -0.60 117.51 119.14 2ai6 h ILE 104 Ca 0.37 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2ai6 h ILE 104 Cb -0.06 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2ai6 h ILE 104 CO -0.10 0.10 -0.01 0.28 -0.69 0.00 0.00 178.15 177.73 2ai6 h SER 105 N -0.11 -0.07 -0.46 1.72 0.02 -1.44 0.96 113.55 114.18 2ai6 h SER 105 Ca 0.01 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2ai6 h SER 105 Cb 0.15 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2ai6 h SER 105 CO -0.00 -0.02 0.03 0.71 -1.14 0.00 0.00 176.83 176.41 2ai6 h THR 106 N 0.03 1.26 -0.42 -2.27 1.35 -1.21 -0.58 112.91 111.07 2ai6 h THR 106 Ca 0.06 -0.99 0.03 0.00 -0.55 0.00 0.00 66.41 64.95 2ai6 h THR 106 Cb 0.08 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2ai6 h THR 106 CO -0.12 0.35 0.22 -0.33 -0.25 0.00 0.00 175.52 175.39 2ai6 h GLU 107 N 0.64 0.44 -0.28 4.72 4.39 -0.52 0.12 114.58 124.08 2ai6 h GLU 107 Ca 0.13 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 2ai6 h GLU 107 Cb 0.46 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2ai6 h GLU 107 CO 0.02 0.29 -0.27 0.87 -1.16 0.00 0.00 179.01 178.76 2ai6 h LYS 108 N 0.45 0.69 -0.55 2.33 1.57 -0.76 -0.76 116.57 119.53 2ai6 h LYS 108 Ca 0.17 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2ai6 h LYS 108 Cb 0.05 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2ai6 h LYS 108 CO -0.11 0.97 0.35 0.82 -0.57 0.00 0.00 179.45 180.92 2ai6 h ILE 109 N 0.43 1.11 -0.75 1.86 2.04 -0.89 0.12 117.51 121.43 2ai6 h ILE 109 Ca 0.05 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2ai6 h ILE 109 Cb 0.84 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2ai6 h ILE 109 CO 0.07 0.13 0.33 0.11 0.00 0.00 0.00 178.15 178.79 2ai6 h LYS 110 N 0.71 1.09 -0.10 2.37 1.57 -0.80 0.16 116.57 121.57 2ai6 h LYS 110 Ca 0.21 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2ai6 h LYS 110 Cb -0.04 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2ai6 h LYS 110 CO -0.07 0.87 0.03 0.00 -0.57 0.00 0.00 179.45 179.72 2ai6 h ALA 111 N 1.16 0.13 0.00 3.86 0.00 -0.61 -3.10 119.26 120.71 2ai6 h ALA 111 Ca 0.25 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 111 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2ai6 h ALA 111 CO -0.03 -0.26 -0.61 -0.22 0.00 0.00 0.00 179.25 178.14 2ai6 h LYS 112 N -0.02 0.00 -6.19 0.00 3.11 -0.89 -3.48 116.57 109.10 2ai6 h LYS 112 Ca 0.03 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.50 2ai6 h LYS 112 Cb 0.21 0.00 0.06 0.00 -1.00 0.00 0.00 32.23 31.50 2ai6 h LYS 112 CO -0.00 0.61 -0.82 0.98 -2.81 0.00 0.00 179.45 177.41 2ai6 n TYR 113 N -3.71 -2.09 0.25 1.91 9.36 0.56 -4.91 117.16 118.54 2ai6 n TYR 113 Ca -0.01 0.61 0.12 0.00 3.32 0.00 0.00 57.90 61.94 2ai6 n TYR 113 Cb 0.63 -3.42 0.66 0.00 -0.63 0.00 0.00 39.34 36.58 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 -1.27 0.00 0.00 2.98 0.13 -1.91 -3.42 132.00 128.51 2ai6 h PRO 114 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2ai6 h PRO 114 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ai6 h PRO 114 CO 0.43 0.15 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 2ai6 n ASP 115 N -3.63 0.00 -1.87 1.44 2.03 -1.26 -5.00 116.55 108.26 2ai6 n ASP 115 Ca -0.01 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.25 2ai6 n ASP 115 Cb 0.28 0.27 0.01 0.00 -0.72 0.00 0.00 41.12 40.96 2ai6 n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ai6 n TYR 116 N -2.27 -1.61 -0.57 -0.67 9.36 -1.26 -5.06 117.16 115.08 2ai6 n TYR 116 Ca 0.00 -0.92 -0.30 0.00 3.32 0.00 0.00 57.90 60.00 2ai6 n TYR 116 Cb 0.00 0.44 0.22 0.00 -0.63 0.00 0.00 39.34 39.36 2ai6 n TYR 116 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2ai6 n GLU 117 N -0.26 -1.96 -4.10 2.98 2.13 -1.26 -4.80 120.64 113.37 2ai6 n GLU 117 Ca -0.04 -0.54 -0.10 0.00 0.66 0.00 0.00 57.16 57.13 2ai6 n GLU 117 Cb 0.29 -2.00 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 2ai6 n GLU 117 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2ai6 s VAL 118 N -2.36 0.03 0.23 6.31 -7.23 -1.26 -2.37 120.40 113.75 2ai6 s VAL 118 Ca 0.64 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2ai6 s VAL 118 Cb -0.20 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2ai6 s VAL 118 CO 0.65 -0.14 0.14 0.42 -0.31 0.00 0.00 175.10 175.87 2ai6 s THR 119 N -4.07 0.12 0.24 5.32 -4.23 -0.89 -4.94 115.64 107.19 2ai6 s THR 119 Ca 0.28 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2ai6 s THR 119 Cb 0.05 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 2ai6 s THR 119 CO 0.07 0.00 0.29 -1.66 -0.54 0.00 0.00 174.62 172.78 2ai6 s TRP 120 N -3.98 0.89 -0.04 3.99 1.48 -1.26 -1.52 118.94 118.49 2ai6 s TRP 120 Ca 0.39 -1.15 -0.07 0.00 -1.06 0.00 0.00 56.10 54.21 2ai6 s TRP 120 Cb 0.07 -0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.13 2ai6 s TRP 120 CO 0.14 -0.82 0.16 0.00 -4.06 0.00 0.00 176.95 172.37 2ai6 s ALA 121 N -3.98 -0.40 -0.14 2.67 0.00 -1.11 -4.96 121.76 113.84 2ai6 s ALA 121 Ca 0.32 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 2ai6 s ALA 121 Cb 0.03 -0.15 0.12 0.00 0.00 0.00 0.00 23.12 23.12 2ai6 s ALA 121 CO 0.12 -0.13 1.80 -1.71 0.00 0.00 0.00 175.76 175.85 2ai6 n ASN 122 N 2.45 5.18 -3.23 0.00 5.15 -1.26 -4.35 115.26 119.20 2ai6 n ASN 122 Ca -0.16 -2.64 -0.10 0.00 -0.60 0.00 0.00 54.58 51.07 2ai6 n ASN 122 Cb 0.58 -0.96 -0.01 0.00 -0.53 0.00 0.00 39.78 38.86 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ai6 s ASP 123 N 0.92 0.25 0.00 1.20 -1.08 -1.26 -4.98 116.67 111.72 2ai6 s ASP 123 Ca 0.15 -1.18 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 2ai6 s ASP 123 Cb 0.12 0.75 0.00 0.00 -1.46 0.00 0.00 42.92 42.33 2ai6 s ASP 123 CO 0.01 -1.48 0.00 0.61 0.52 0.00 0.00 175.17 174.83 2ai6 n GLY 124 N -0.52 3.60 0.00 2.66 0.00 -1.26 -0.87 105.19 108.79 2ai6 n GLY 124 Ca -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60