#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 1.87 -0.03 3.04 0.00 -1.26 -5.06 121.76 120.32 2ai6 s ALA 2 Ca 0.00 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2ai6 s ALA 2 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2ai6 s ALA 2 CO 0.00 -2.23 -0.02 0.54 0.00 0.00 0.00 175.76 174.05 2ai6 s VAL 3 N -2.56 0.33 0.80 0.00 0.11 -1.26 -4.92 120.40 112.91 2ai6 s VAL 3 Ca 0.67 -0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.56 2ai6 s VAL 3 Cb -0.23 -0.39 0.19 0.00 -1.53 0.00 0.00 36.38 34.43 2ai6 s VAL 3 CO 0.54 0.17 0.95 0.00 -3.33 0.00 0.00 175.10 173.43 2ai6 n ALA 4 N 4.00 -1.61 -2.91 1.54 0.00 -1.26 -5.08 120.51 115.19 2ai6 n ALA 4 Ca -0.26 -1.29 -0.11 0.00 0.00 0.00 0.00 53.44 51.79 2ai6 n ALA 4 Cb 0.51 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 -4.38 -0.04 0.55 0.00 2.15 -1.26 -4.77 116.67 108.91 2ai6 s ASP 5 Ca 0.56 -0.31 0.23 0.00 0.43 0.00 0.00 52.55 53.46 2ai6 s ASP 5 Cb -0.03 0.33 1.46 0.00 -0.30 0.00 0.00 42.92 44.38 2ai6 s ASP 5 CO 0.40 -0.61 2.11 -0.07 -0.17 0.00 0.00 175.17 176.84 2ai6 h LEU 6 N 3.26 0.00 -1.06 -1.34 3.38 -1.95 0.11 115.31 117.71 2ai6 h LEU 6 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 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 0.48 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.64 2ai6 h ALA 7 N 1.88 1.07 0.00 1.53 0.00 -2.01 -3.25 119.26 118.47 2ai6 h ALA 7 Ca 0.08 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 2ai6 h ALA 7 Cb 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2ai6 h ALA 7 CO -0.00 0.46 -1.57 1.28 0.00 0.00 0.00 179.25 179.41 2ai6 n LEU 8 N -3.63 0.87 -4.68 0.00 4.77 0.30 -4.88 117.00 109.75 2ai6 n LEU 8 Ca -0.01 0.40 -0.45 0.00 -0.03 0.00 0.00 56.01 55.93 2ai6 n LEU 8 Cb 0.48 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2ai6 n LEU 8 CO 0.37 0.28 1.27 -0.38 -1.33 0.00 0.00 177.39 177.60 2ai6 n ILE 9 N -2.98 0.06 -1.62 -0.08 5.41 -0.62 -4.91 119.36 114.64 2ai6 n ILE 9 Ca -0.13 -0.01 -0.49 0.00 1.00 0.00 0.00 62.75 63.11 2ai6 n ILE 9 Cb 0.96 -1.70 -0.05 0.00 -0.71 0.00 0.00 39.64 38.14 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 3.91 1.49 -0.06 0.38 -0.02 -1.26 -4.93 135.00 134.50 2ai6 n PRO 10 Ca 0.17 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.97 2ai6 n PRO 10 Cb 0.31 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.60 2.02 -3.89 2.55 2.03 -1.26 -4.92 116.55 115.68 2ai6 n ASP 11 Ca 0.17 0.20 -0.11 0.00 0.52 0.00 0.00 54.79 55.56 2ai6 n ASP 11 Cb 0.24 -0.79 -0.13 0.00 -0.72 0.00 0.00 41.12 39.71 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 -2.50 0.02 -0.26 5.18 1.01 -1.26 -2.29 120.40 120.30 2ai6 s VAL 12 Ca -0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2ai6 s VAL 12 Cb 0.08 -0.08 0.13 0.00 0.00 0.00 0.00 36.38 36.51 2ai6 s VAL 12 CO 0.67 -0.10 0.52 -0.62 0.00 0.00 0.00 175.10 175.57 2ai6 s ASP 13 N -0.29 -0.70 0.04 3.32 2.15 -1.10 -5.02 116.67 115.06 2ai6 s ASP 13 Ca -0.03 1.04 -0.03 0.00 0.43 0.00 0.00 52.55 53.96 2ai6 s ASP 13 Cb -0.02 1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 44.37 2ai6 s ASP 13 CO -0.00 -0.24 0.02 0.27 -0.17 0.00 0.00 175.17 175.05 2ai6 s ILE 14 N 2.75 0.16 0.34 4.11 -4.36 -1.26 -3.46 121.20 119.48 2ai6 s ILE 14 Ca 0.04 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 58.79 2ai6 s ILE 14 Cb -0.13 -1.05 -0.10 0.00 1.25 0.00 0.00 42.46 42.42 2ai6 s ILE 14 CO -0.17 -0.75 1.36 -0.62 0.24 0.00 0.00 174.94 175.00 2ai6 s ASP 15 N -2.37 6.66 0.45 4.36 -1.08 -1.24 -4.93 116.67 118.52 2ai6 s ASP 15 Ca -0.02 2.78 0.19 0.00 -0.52 0.00 0.00 52.55 54.98 2ai6 s ASP 15 Cb 0.01 -2.65 1.05 0.00 -1.46 0.00 0.00 42.92 39.87 2ai6 s ASP 15 CO -0.07 -0.62 1.95 0.28 0.52 0.00 0.00 175.17 177.23 2ai6 h SER 16 N 3.35 0.00 -0.74 -0.34 0.02 -1.98 -3.42 113.55 110.45 2ai6 h SER 16 Ca -0.49 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.58 2ai6 h SER 16 Cb 1.23 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.56 2ai6 h SER 16 CO 0.66 0.23 -0.18 -0.62 -1.14 0.00 0.00 176.83 175.78 2ai6 s ASP 17 N -6.64 -1.12 0.00 3.07 2.15 -1.26 -4.85 116.67 108.03 2ai6 s ASP 17 Ca -0.03 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.34 2ai6 s ASP 17 Cb 0.14 1.81 0.00 0.00 -0.30 0.00 0.00 42.92 44.57 2ai6 s ASP 17 CO 0.66 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 176.07 2ai6 n GLY 18 N 5.38 0.65 2.87 2.66 0.00 -1.26 -5.08 105.19 110.40 2ai6 n GLY 18 Ca 0.02 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 2ai6 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ai6 s VAL 19 N -2.07 0.85 0.17 1.61 1.01 -1.26 -3.34 120.40 117.38 2ai6 s VAL 19 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 2ai6 s VAL 19 Cb 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.52 2ai6 s VAL 19 CO 0.00 0.32 0.62 0.72 0.00 0.00 0.00 175.10 176.75 2ai6 s PHE 20 N 1.78 -0.50 0.47 5.22 -0.12 -0.75 -4.84 117.98 119.23 2ai6 s PHE 20 Ca 0.05 0.26 -0.07 0.00 -0.05 0.00 0.00 56.93 57.12 2ai6 s PHE 20 Cb -0.13 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2ai6 s PHE 20 CO -0.07 -0.89 0.79 0.15 -0.05 0.00 0.00 175.22 175.14 2ai6 s LYS 21 N -3.76 3.60 0.16 1.99 3.01 -1.26 -0.73 119.74 122.75 2ai6 s LYS 21 Ca 0.02 0.28 -0.03 0.00 -1.01 0.00 0.00 55.97 55.23 2ai6 s LYS 21 Cb -0.02 -2.37 -0.03 0.00 -1.01 0.00 0.00 37.83 34.40 2ai6 s LYS 21 CO -0.11 -0.18 0.15 1.52 0.51 0.00 0.00 175.35 177.24 2ai6 s TYR 22 N -2.67 0.79 0.04 3.18 1.13 -0.25 -3.02 117.35 116.55 2ai6 s TYR 22 Ca 0.49 -1.13 -0.02 0.00 -1.41 0.00 0.00 57.07 54.99 2ai6 s TYR 22 Cb -0.10 -0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 2ai6 s TYR 22 CO 0.42 -0.62 0.01 0.54 -2.51 0.00 0.00 175.55 173.39 2ai6 s VAL 23 N -4.05 0.15 -0.20 -3.49 0.11 -0.30 -2.35 120.40 110.27 2ai6 s VAL 23 Ca 0.26 -1.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.04 2ai6 s VAL 23 Cb 0.06 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2ai6 s VAL 23 CO 0.04 -0.70 -0.15 -0.22 -3.33 0.00 0.00 175.10 170.74 2ai6 s LEU 24 N -2.14 2.41 -0.05 2.54 0.20 -0.52 -2.60 118.68 118.53 2ai6 s LEU 24 Ca -0.05 -0.63 0.05 0.00 0.69 0.00 0.00 54.13 54.18 2ai6 s LEU 24 Cb -0.01 -1.55 -0.00 0.00 -0.43 0.00 0.00 46.19 44.19 2ai6 s LEU 24 CO -0.05 -0.02 -0.19 0.27 -0.29 0.00 0.00 176.35 176.07 2ai6 s ILE 25 N 1.33 1.56 0.37 6.68 -4.36 -0.58 -0.62 121.20 125.57 2ai6 s ILE 25 Ca 0.04 -0.79 -0.24 0.00 -0.26 0.00 0.00 60.65 59.40 2ai6 s ILE 25 Cb -0.14 -1.33 -0.10 0.00 1.25 0.00 0.00 42.46 42.14 2ai6 s ILE 25 CO -0.10 0.44 0.95 -0.60 0.24 0.00 0.00 174.94 175.87 2ai6 s ARG 26 N -0.01 4.44 -0.05 0.37 3.52 0.45 -0.71 118.95 126.96 2ai6 s ARG 26 Ca -0.04 1.25 -0.00 0.00 -0.13 0.00 0.00 55.73 56.81 2ai6 s ARG 26 Cb -0.12 -2.55 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 2ai6 s ARG 26 CO 0.02 0.16 0.00 0.08 -0.81 0.00 0.00 175.30 174.75 2ai6 s VAL 27 N -1.84 0.25 0.24 7.11 1.01 0.36 -1.83 120.40 125.69 2ai6 s VAL 27 Ca 0.55 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 2ai6 s VAL 27 Cb -0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 2ai6 s VAL 27 CO 0.19 0.20 0.48 -1.00 0.00 0.00 0.00 175.10 174.98 2ai6 s HIS 28 N 1.52 3.47 -0.94 5.22 0.09 -0.45 -1.04 115.29 123.16 2ai6 s HIS 28 Ca -0.03 0.58 -0.25 0.00 -0.00 0.00 0.00 55.06 55.37 2ai6 s HIS 28 Cb -0.13 -2.04 -0.08 0.00 -0.00 0.00 0.00 32.58 30.33 2ai6 s HIS 28 CO -0.03 0.28 2.03 -1.12 -0.00 0.00 0.00 174.74 175.89 2ai6 s SER 29 N -2.94 4.85 -0.01 1.40 0.01 0.30 -4.35 113.70 112.96 2ai6 s SER 29 Ca 0.42 -0.74 0.12 0.00 1.31 0.00 0.00 55.95 57.06 2ai6 s SER 29 Cb -0.11 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.75 2ai6 s SER 29 CO 0.28 -3.07 1.08 0.00 0.41 0.00 0.00 173.24 171.93 2ai6 n ALA 30 N 15.05 2.18 -1.53 1.44 0.00 -1.26 -4.50 120.51 131.88 2ai6 n ALA 30 Ca 0.42 -1.64 -0.56 0.00 0.00 0.00 0.00 53.44 51.66 2ai6 n ALA 30 Cb 0.46 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 0.42 -2.10 0.00 -0.02 -1.26 -1.01 135.00 131.20 2ai6 n PRO 31 Ca 0.03 0.15 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2ai6 n PRO 31 Cb 0.89 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.89 -2.29 -2.84 -0.52 5.12 0.42 -1.47 116.66 116.98 2ai6 n ARG 32 Ca 0.19 0.20 -0.16 0.00 -1.93 0.00 0.00 57.85 56.15 2ai6 n ARG 32 Cb 0.12 -4.60 -0.00 0.00 -1.16 0.00 0.00 32.46 26.81 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 -0.99 -3.66 -0.25 0.55 7.64 -0.18 -4.80 113.62 111.93 2ai6 n SER 33 Ca -0.04 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2ai6 n SER 33 Cb 0.42 -3.08 0.00 0.00 -1.01 0.00 0.00 64.21 60.54 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 -0.95 -0.41 3.74 0.23 0.00 -0.54 -5.10 105.19 102.16 2ai6 n GLY 34 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 2.39 -1.96 4.61 0.00 -1.12 -4.94 121.76 120.73 2ai6 s ALA 35 Ca 0.00 0.97 0.32 0.00 0.00 0.00 0.00 51.96 53.25 2ai6 s ALA 35 Cb 0.00 -3.46 1.87 0.00 0.00 0.00 0.00 23.12 21.53 2ai6 s ALA 35 CO 0.00 -1.45 2.21 -0.35 0.00 0.00 0.00 175.76 176.16 2ai6 n PRO 36 N -2.03 0.95 -4.04 0.00 -0.04 -1.26 -4.89 135.00 123.69 2ai6 n PRO 36 Ca 0.14 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2ai6 n PRO 36 Cb 0.50 -1.50 -0.03 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 -2.04 0.52 -0.20 0.55 0.00 -1.26 -5.08 121.76 114.25 2ai6 s ALA 37 Ca 0.46 -1.39 0.19 0.00 0.00 0.00 0.00 51.96 51.23 2ai6 s ALA 37 Cb 0.22 1.08 0.47 0.00 0.00 0.00 0.00 23.12 24.89 2ai6 s ALA 37 CO 0.37 -0.82 1.15 0.00 0.00 0.00 0.00 175.76 176.46 2ai6 n ALA 38 N -0.56 3.11 -1.12 0.00 0.00 -1.26 -4.68 120.51 116.00 2ai6 n ALA 38 Ca -0.01 -2.92 -0.29 0.00 0.00 0.00 0.00 53.44 50.23 2ai6 n ALA 38 Cb 0.61 -0.69 0.20 0.00 0.00 0.00 0.00 19.45 19.57 2ai6 n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ai6 s GLU 39 N -2.86 -0.21 0.11 0.00 2.02 -1.26 -4.70 118.70 111.81 2ai6 s GLU 39 Ca 0.34 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.66 2ai6 s GLU 39 Cb 0.36 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 2ai6 s GLU 39 CO -0.06 -3.12 -0.05 -1.12 0.02 0.00 0.00 175.26 170.94 2ai6 s SER 40 N -3.57 1.09 0.17 -0.19 0.01 -1.26 -0.54 113.70 109.41 2ai6 s SER 40 Ca 0.67 -1.04 0.03 0.00 1.31 0.00 0.00 55.95 56.92 2ai6 s SER 40 Cb -0.16 0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 2ai6 s SER 40 CO 0.57 -0.50 -0.04 -1.59 0.41 0.00 0.00 173.24 172.10 2ai6 s LYS 41 N -3.86 1.11 -0.09 12.44 -2.85 -0.21 -4.98 119.74 121.31 2ai6 s LYS 41 Ca 0.14 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 53.61 2ai6 s LYS 41 Cb 0.06 -0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 35.36 2ai6 s LYS 41 CO -0.03 -0.05 -0.14 -1.21 0.10 0.00 0.00 175.35 174.02 2ai6 s GLU 42 N -3.84 2.92 0.28 1.78 8.01 -1.26 -0.49 118.70 126.11 2ai6 s GLU 42 Ca 0.21 -0.70 0.10 0.00 0.01 0.00 0.00 54.97 54.59 2ai6 s GLU 42 Cb 0.05 -2.48 -0.05 0.00 -4.31 0.00 0.00 34.13 27.33 2ai6 s GLU 42 CO 0.03 0.41 -0.15 0.96 0.01 0.00 0.00 175.26 176.52 2ai6 s ILE 43 N -0.19 2.23 -0.08 -1.63 -4.36 0.11 -4.97 121.20 112.31 2ai6 s ILE 43 Ca -0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.09 2ai6 s ILE 43 Cb -0.13 -2.36 0.02 0.00 1.25 0.00 0.00 42.46 41.24 2ai6 s ILE 43 CO 0.03 -0.37 -0.06 -0.69 0.24 0.00 0.00 174.94 174.08 2ai6 s VAL 44 N -2.65 0.82 0.10 8.37 1.01 -0.97 -1.53 120.40 125.55 2ai6 s VAL 44 Ca 0.29 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2ai6 s VAL 44 Cb -0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2ai6 s VAL 44 CO 0.14 0.31 -0.11 -0.13 0.00 0.00 0.00 175.10 175.32 2ai6 s ARG 45 N 1.38 0.87 -0.29 2.72 1.81 -1.07 -2.71 118.95 121.66 2ai6 s ARG 45 Ca -0.02 -1.16 -0.21 0.00 -1.72 0.00 0.00 55.73 52.61 2ai6 s ARG 45 Cb -0.14 -0.59 0.14 0.00 -0.45 0.00 0.00 34.95 33.91 2ai6 s ARG 45 CO -0.03 0.10 1.05 0.20 -0.68 0.00 0.00 175.30 175.93 2ai6 s GLY 46 N -2.42 -0.03 0.01 -3.53 0.00 -1.22 -1.15 107.32 98.97 2ai6 s GLY 46 Ca 0.06 2.95 -0.14 0.00 0.00 0.00 0.00 44.72 47.59 2ai6 s GLY 46 CO 0.01 2.15 0.30 -0.19 0.00 0.00 0.00 173.10 175.36 2ai6 s TYR 47 N 0.65 -0.14 0.42 1.90 2.02 -1.17 -3.61 117.35 117.42 2ai6 s TYR 47 Ca -0.01 0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 2ai6 s TYR 47 Cb -0.04 0.09 0.88 0.00 -0.40 0.00 0.00 41.96 42.49 2ai6 s TYR 47 CO -0.10 -0.43 2.05 -0.22 -1.57 0.00 0.00 175.55 175.27 2ai6 h LYS 48 N 3.61 0.45 0.00 -0.62 1.63 -1.88 -1.84 116.57 117.92 2ai6 h LYS 48 Ca -0.31 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.41 2ai6 h LYS 48 Cb 1.19 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 2ai6 h LYS 48 CO 0.43 0.33 -0.24 0.11 -3.45 0.00 0.00 179.45 176.63 2ai6 h TRP 49 N 0.46 0.00 -0.39 1.91 5.08 -1.97 -3.32 115.95 117.73 2ai6 h TRP 49 Ca 0.12 0.00 -0.63 0.00 1.08 0.00 0.00 58.89 59.47 2ai6 h TRP 49 Cb 0.01 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.13 2ai6 h TRP 49 CO 0.00 0.24 2.32 0.00 -1.28 0.00 0.00 178.44 179.72 2ai6 n ALA 50 N -2.49 3.83 0.29 0.11 0.00 -0.69 -4.70 120.51 116.86 2ai6 n ALA 50 Ca -0.02 -3.63 0.05 0.00 0.00 0.00 0.00 53.44 49.83 2ai6 n ALA 50 Cb 0.30 -3.57 0.21 0.00 0.00 0.00 0.00 19.45 16.39 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 7.45 0.02 -3.89 0.00 -0.58 -1.25 -4.09 120.64 118.29 2ai6 n GLU 51 Ca 0.49 0.37 -0.11 0.00 -0.42 0.00 0.00 57.16 57.49 2ai6 n GLU 51 Cb 0.43 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.63 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 -3.04 0.05 0.42 -0.32 1.13 -1.26 -4.97 117.35 109.36 2ai6 s TYR 52 Ca 0.04 -0.09 0.10 0.00 -1.41 0.00 0.00 57.07 55.71 2ai6 s TYR 52 Cb 0.06 -0.04 0.95 0.00 -1.10 0.00 0.00 41.96 41.83 2ai6 s TYR 52 CO 0.17 -0.06 2.02 0.45 -2.51 0.00 0.00 175.55 175.62 2ai6 h HIS 53 N 5.73 0.47 0.00 -3.49 3.86 -1.89 -0.90 115.15 118.92 2ai6 h HIS 53 Ca -0.26 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.95 2ai6 h HIS 53 Cb 1.21 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 2ai6 h HIS 53 CO 0.47 0.26 -0.06 0.00 0.86 0.00 0.00 177.93 179.46 2ai6 h ALA 54 N 1.73 1.39 -0.46 2.45 0.00 -1.96 -2.18 119.26 120.23 2ai6 h ALA 54 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2ai6 h ALA 54 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2ai6 h ALA 54 CO -0.05 0.08 -0.02 0.22 0.00 0.00 0.00 179.25 179.47 2ai6 h ASP 55 N 0.00 0.81 0.13 0.00 1.82 -1.54 -0.08 116.42 117.57 2ai6 h ASP 55 Ca -0.00 -0.32 -0.25 0.00 -0.39 0.00 0.00 57.03 56.07 2ai6 h ASP 55 Cb 0.17 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 39.97 2ai6 h ASP 55 CO 0.01 0.94 -1.01 0.16 -1.61 0.00 0.00 179.24 177.73 2ai6 h ILE 56 N 0.67 1.33 -0.70 2.25 3.07 -1.62 -1.28 117.51 121.23 2ai6 h ILE 56 Ca 0.13 -2.33 0.01 0.00 1.55 0.00 0.00 64.86 64.22 2ai6 h ILE 56 Cb 0.53 2.39 -0.03 0.00 -0.27 0.00 0.00 36.82 39.44 2ai6 h ILE 56 CO 0.03 0.71 0.46 0.22 -1.05 0.00 0.00 178.15 178.52 2ai6 h TYR 57 N 0.33 0.89 -0.10 0.16 3.20 -1.29 0.70 116.97 120.86 2ai6 h TYR 57 Ca -0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.80 2ai6 h TYR 57 Cb 1.65 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 2ai6 h TYR 57 CO 0.09 0.56 -0.06 0.22 -1.64 0.00 0.00 178.16 177.32 2ai6 h ASP 58 N 0.95 -0.20 -0.11 -2.11 3.58 -0.98 0.62 116.42 118.18 2ai6 h ASP 58 Ca 0.26 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2ai6 h ASP 58 Cb -0.10 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 58 CO -0.05 -0.09 0.05 0.50 -2.88 0.00 0.00 179.24 176.77 2ai6 h LYS 59 N -0.07 0.16 0.08 0.28 1.63 -0.70 -2.04 116.57 115.91 2ai6 h LYS 59 Ca 0.06 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.67 2ai6 h LYS 59 Cb 0.16 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2ai6 h LYS 59 CO -0.14 0.22 -0.69 0.28 -3.45 0.00 0.00 179.45 175.66 2ai6 h VAL 60 N 0.06 1.50 -0.12 2.00 2.07 -0.83 -2.14 116.25 118.79 2ai6 h VAL 60 Ca 0.04 -2.35 -0.03 0.00 0.82 0.00 0.00 66.70 65.18 2ai6 h VAL 60 Cb 0.11 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2ai6 h VAL 60 CO -0.00 0.67 -0.05 0.77 0.02 0.00 0.00 177.57 178.98 2ai6 h SER 61 N -0.31 0.15 0.18 0.57 4.64 -0.92 0.13 113.55 118.00 2ai6 h SER 61 Ca -0.11 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2ai6 h SER 61 Cb 1.49 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2ai6 h SER 61 CO 0.13 0.23 -0.09 1.23 -0.87 0.00 0.00 176.83 177.47 2ai6 h GLY 62 N 0.48 -0.26 0.93 -0.77 0.00 -1.30 -1.00 103.07 101.15 2ai6 h GLY 62 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2ai6 h GLY 62 CO 0.01 -0.09 0.11 -1.80 0.00 0.00 0.00 176.54 174.77 2ai6 h ASP 63 N -0.42 0.57 -0.21 0.19 1.82 -0.74 -0.07 116.42 117.56 2ai6 h ASP 63 Ca -0.03 -0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.43 2ai6 h ASP 63 Cb 0.33 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 2ai6 h ASP 63 CO 0.04 0.63 0.01 0.24 -1.61 0.00 0.00 179.24 178.56 2ai6 h MET 64 N 0.47 0.08 0.00 0.28 2.86 -0.82 -1.12 114.93 116.69 2ai6 h MET 64 Ca 0.12 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 2ai6 h MET 64 Cb 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2ai6 h MET 64 CO -0.00 0.06 -0.42 1.96 1.06 0.00 0.00 176.91 179.57 2ai6 h GLN 65 N 0.09 0.00 -0.54 1.72 4.20 -0.95 0.24 115.11 119.87 2ai6 h GLN 65 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2ai6 h GLN 65 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2ai6 h GLN 65 CO -0.15 0.42 0.24 -0.22 -0.67 0.00 0.00 178.83 178.44 2ai6 h LYS 66 N 0.00 0.79 -0.42 1.46 3.64 -0.60 -2.10 116.57 119.34 2ai6 h LYS 66 Ca -0.00 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2ai6 h LYS 66 Cb 0.84 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2ai6 h LYS 66 CO 0.05 0.67 0.00 1.96 -2.27 0.00 0.00 179.45 179.87 2ai6 h GLN 67 N 0.73 0.68 0.00 1.90 4.20 -0.50 -3.47 115.11 118.66 2ai6 h GLN 67 Ca 0.18 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2ai6 h GLN 67 Cb 0.15 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2ai6 h GLN 67 CO -0.02 0.70 0.00 0.41 -0.67 0.00 0.00 178.83 179.25 2ai6 n GLY 68 N -0.74 0.72 3.67 3.46 0.00 0.58 -0.44 105.19 112.44 2ai6 n GLY 68 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 1.97 6.99 0.18 0.00 2.15 -1.26 -2.81 116.67 123.89 2ai6 s ASP 70 Ca 0.57 2.10 -0.06 0.00 0.43 0.00 0.00 52.55 55.59 2ai6 s ASP 70 Cb -0.24 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.76 2ai6 s ASP 70 CO 0.18 -0.33 0.24 0.00 -0.17 0.00 0.00 175.17 175.09 2ai6 s GLU 72 N -4.03 0.35 -0.28 0.00 0.41 -0.76 -4.99 118.70 109.40 2ai6 s GLU 72 Ca 0.24 0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 55.11 2ai6 s GLU 72 Cb 0.04 0.04 -0.02 0.00 -1.78 0.00 0.00 34.13 32.41 2ai6 s GLU 72 CO 0.04 -0.12 1.60 0.00 -0.49 0.00 0.00 175.26 176.29 2ai6 h LEU 74 N 12.09 0.00 0.00 0.00 3.38 -1.22 -3.48 115.31 126.08 2ai6 h LEU 74 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ai6 h LEU 74 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2ai6 h LEU 74 CO 1.02 0.28 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2ai6 n GLY 75 N 0.05 -1.30 0.28 0.83 0.00 -1.20 -4.63 105.19 99.21 2ai6 n GLY 75 Ca -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.68 -1.44 105.19 105.08 2ai6 n GLY 76 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.04 -0.66 3.29 -0.02 0.00 -0.99 -1.36 105.19 105.42 2ai6 n GLY 77 Ca -0.01 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.18 1.15 0.01 1.61 3.52 0.17 -1.09 118.95 124.14 2ai6 s ARG 78 Ca 0.00 -1.29 0.07 0.00 -0.13 0.00 0.00 55.73 54.39 2ai6 s ARG 78 Cb 0.00 -1.21 -0.02 0.00 -1.56 0.00 0.00 34.95 32.16 2ai6 s ARG 78 CO 0.00 0.25 -0.22 0.42 -0.81 0.00 0.00 175.30 174.94 2ai6 s ILE 79 N -1.83 1.77 0.17 4.11 1.01 0.10 -1.50 121.20 125.03 2ai6 s ILE 79 Ca 0.11 -1.06 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 2ai6 s ILE 79 Cb -0.07 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 40.96 2ai6 s ILE 79 CO 0.05 0.40 0.57 -0.44 0.00 0.00 0.00 174.94 175.52 2ai6 s SER 80 N -0.77 -0.45 0.75 3.58 0.01 -0.89 -1.81 113.70 114.12 2ai6 s SER 80 Ca 0.09 -0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 2ai6 s SER 80 Cb -0.09 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.77 2ai6 s SER 80 CO 0.00 -0.99 1.08 -1.38 0.41 0.00 0.00 173.24 172.36 2ai6 s HIS 81 N -3.79 2.78 0.55 2.43 -3.43 -1.21 -0.19 115.29 112.44 2ai6 s HIS 81 Ca 0.03 1.45 0.40 0.00 -0.80 0.00 0.00 55.06 56.14 2ai6 s HIS 81 Cb -0.01 -3.00 2.13 0.00 -1.43 0.00 0.00 32.58 30.27 2ai6 s HIS 81 CO -0.10 -1.62 2.28 1.96 -2.00 0.00 0.00 174.74 175.25 2ai6 h GLN 82 N -1.00 0.00 0.00 -0.38 1.08 -0.34 -3.44 115.11 111.03 2ai6 h GLN 82 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2ai6 h GLN 82 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2ai6 h GLN 82 CO 0.54 0.01 0.00 0.43 -0.95 0.00 0.00 178.83 178.86 2ai6 n SER 83 N -3.21 0.00 0.22 1.46 7.64 -1.26 -4.34 113.62 114.13 2ai6 n SER 83 Ca -0.02 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.01 2ai6 n SER 83 Cb 0.12 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 63.99 2ai6 n SER 83 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2ai6 h GLN 84 N 0.00 0.00 -3.49 1.43 3.07 -1.97 -3.44 115.11 110.71 2ai6 h GLN 84 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 2ai6 h GLN 84 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.45 2ai6 h GLN 84 CO 0.00 0.00 -0.10 0.34 0.09 0.00 0.00 178.83 179.16 2ai6 s ASP 85 N -4.92 -0.16 0.25 0.06 -1.08 -1.26 -5.04 116.67 104.52 2ai6 s ASP 85 Ca 0.01 -0.56 0.25 0.00 -0.52 0.00 0.00 52.55 51.74 2ai6 s ASP 85 Cb 0.09 0.51 0.90 0.00 -1.46 0.00 0.00 42.92 42.96 2ai6 s ASP 85 CO 0.44 -0.96 1.75 0.29 0.52 0.00 0.00 175.17 177.21 2ai6 n LYS 86 N -0.27 0.24 -1.51 4.34 4.76 -1.26 -2.52 118.16 121.93 2ai6 n LYS 86 Ca -0.11 0.33 -0.54 0.00 -2.87 0.00 0.00 58.31 55.12 2ai6 n LYS 86 Cb 0.63 -1.86 -0.06 0.00 -1.84 0.00 0.00 35.03 31.90 2ai6 n LYS 86 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2ai6 n LYS 87 N -2.29 0.39 -1.53 1.97 4.81 -1.26 -4.47 118.16 115.78 2ai6 n LYS 87 Ca 0.04 0.14 -0.31 0.00 -0.87 0.00 0.00 58.31 57.31 2ai6 n LYS 87 Cb 0.33 -1.59 0.06 0.00 0.02 0.00 0.00 35.03 33.85 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2ai6 s ILE 88 N -0.09 3.93 0.02 3.15 -1.09 -1.03 -0.28 121.20 125.81 2ai6 s ILE 88 Ca 0.83 0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 59.87 2ai6 s ILE 88 Cb -1.10 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 2ai6 s ILE 88 CO 0.54 -0.81 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.14 2ai6 s HIS 89 N -3.02 0.27 -0.06 3.97 2.46 0.74 -1.07 115.29 118.59 2ai6 s HIS 89 Ca 0.59 -0.56 0.00 0.00 0.47 0.00 0.00 55.06 55.56 2ai6 s HIS 89 Cb -0.14 -0.20 0.02 0.00 -0.13 0.00 0.00 32.58 32.13 2ai6 s HIS 89 CO 0.55 -0.22 -0.05 0.08 -2.47 0.00 0.00 174.74 172.64 2ai6 s VAL 90 N -1.70 0.63 0.39 0.89 1.01 -0.52 -2.09 120.40 119.01 2ai6 s VAL 90 Ca -0.14 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2ai6 s VAL 90 Cb -0.08 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.68 2ai6 s VAL 90 CO -0.02 0.27 0.76 0.00 0.00 0.00 0.00 175.10 176.11 2ai6 n TYR 91 N 4.40 -2.30 -4.22 5.22 4.11 -0.56 -1.89 117.16 121.93 2ai6 n TYR 91 Ca -0.19 -1.88 0.00 0.00 -0.00 0.00 0.00 57.90 55.83 2ai6 n TYR 91 Cb 0.51 0.89 0.00 0.00 -0.00 0.00 0.00 39.34 40.74 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 -0.53 -1.15 3.24 -7.48 0.00 -0.18 -0.66 105.19 98.43 2ai6 n GLY 92 Ca -0.08 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.14 0.09 1.61 1.13 -1.26 -4.71 117.35 114.07 2ai6 s TYR 93 Ca 0.00 0.14 -0.31 0.00 -1.41 0.00 0.00 57.07 55.49 2ai6 s TYR 93 Cb 0.00 0.09 -0.06 0.00 -1.10 0.00 0.00 41.96 40.89 2ai6 s TYR 93 CO 0.00 -0.43 1.21 0.45 -2.51 0.00 0.00 175.55 174.27 2ai6 s SER 94 N -1.62 7.07 0.45 -0.18 0.15 -0.46 -4.50 113.70 114.60 2ai6 s SER 94 Ca -0.10 2.08 0.17 0.00 0.70 0.00 0.00 55.95 58.80 2ai6 s SER 94 Cb -0.04 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.72 2ai6 s SER 94 CO 0.01 -0.46 1.97 -0.03 1.20 0.00 0.00 173.24 175.93 2ai6 h MET 95 N 6.47 0.00 0.09 5.44 4.05 -1.93 0.18 114.93 129.24 2ai6 h MET 95 Ca -0.42 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 58.67 2ai6 h MET 95 Cb 1.21 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 2ai6 h MET 95 CO 0.80 0.22 -1.74 0.00 0.23 0.00 0.00 176.91 176.42 2ai6 h ALA 96 N 1.78 0.46 0.00 0.39 0.00 -2.00 -3.41 119.26 116.48 2ai6 h ALA 96 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.60 2ai6 h ALA 96 Cb 0.41 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ai6 h ALA 96 CO 0.03 1.32 0.00 0.66 0.00 0.00 0.00 179.25 181.26 2ai6 n TYR 97 N -3.36 0.00 -0.36 0.00 4.01 -1.22 -5.13 117.16 111.10 2ai6 n TYR 97 Ca -0.22 -0.08 0.05 0.00 -0.16 0.00 0.00 57.90 57.49 2ai6 n TYR 97 Cb 1.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 40.06 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 -1.44 3.75 2.72 0.00 0.05 -4.36 105.19 105.83 2ai6 n GLY 98 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.33 4.39 1.16 1.61 0.04 -1.26 -1.69 135.00 137.93 2ai6 s PRO 99 Ca 0.00 2.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 2ai6 s PRO 99 Cb 0.00 -3.15 0.27 0.00 0.04 0.00 0.00 34.50 31.66 2ai6 s PRO 99 CO 0.00 -0.20 1.16 0.00 0.04 0.00 0.00 177.00 177.99 2ai6 s ALA 100 N -0.37 0.94 0.38 8.56 0.00 -1.14 -4.61 121.76 125.53 2ai6 s ALA 100 Ca 0.54 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2ai6 s ALA 100 Cb -0.37 -2.85 0.76 0.00 0.00 0.00 0.00 23.12 20.66 2ai6 s ALA 100 CO 0.43 -3.37 2.00 1.96 0.00 0.00 0.00 175.76 176.78 2ai6 h GLN 101 N -2.41 0.56 0.00 0.00 1.08 -1.94 -3.47 115.11 108.93 2ai6 h GLN 101 Ca -0.44 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2ai6 h GLN 101 Cb 1.28 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2ai6 h GLN 101 CO 0.34 0.43 0.00 0.72 -0.95 0.00 0.00 178.83 179.37 2ai6 n HIS 102 N -4.41 0.00 -0.25 2.96 8.25 -1.26 -4.56 115.22 115.95 2ai6 n HIS 102 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 2ai6 n HIS 102 Cb 0.11 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.33 2ai6 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ai6 h ALA 103 N 0.00 0.95 -0.26 -1.41 0.00 -1.98 -1.36 119.26 115.19 2ai6 h ALA 103 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2ai6 h ALA 103 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2ai6 h ALA 103 CO 0.00 0.11 -0.10 0.82 0.00 0.00 0.00 179.25 180.08 2ai6 h ILE 104 N 0.76 0.65 -0.03 0.00 1.08 -1.99 -1.59 117.51 116.40 2ai6 h ILE 104 Ca 0.31 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.79 2ai6 h ILE 104 Cb 0.17 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 2ai6 h ILE 104 CO -0.17 0.00 -0.03 0.28 -0.69 0.00 0.00 178.15 177.54 2ai6 h SER 105 N -0.06 -0.08 -0.32 1.72 0.02 -1.68 0.30 113.55 113.44 2ai6 h SER 105 Ca 0.14 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2ai6 h SER 105 Cb 0.26 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2ai6 h SER 105 CO -0.30 -0.04 0.04 0.71 -1.14 0.00 0.00 176.83 176.10 2ai6 h THR 106 N -0.03 0.81 -0.39 -2.27 1.35 -1.14 -0.35 112.91 110.89 2ai6 h THR 106 Ca 0.02 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 2ai6 h THR 106 Cb 0.07 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.12 2ai6 h THR 106 CO -0.05 0.03 0.12 -0.33 -0.25 0.00 0.00 175.52 175.03 2ai6 h GLU 107 N 0.15 0.60 -0.47 4.72 5.08 -0.60 0.12 114.58 124.18 2ai6 h GLU 107 Ca 0.15 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2ai6 h GLU 107 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2ai6 h GLU 107 CO -0.22 0.61 -0.08 0.87 -1.00 0.00 0.00 179.01 179.19 2ai6 h LYS 108 N 0.48 0.88 -0.24 2.33 1.79 -0.83 -0.41 116.57 120.56 2ai6 h LYS 108 Ca 0.12 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2ai6 h LYS 108 Cb 0.26 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2ai6 h LYS 108 CO -0.00 0.96 0.15 0.82 -1.08 0.00 0.00 179.45 180.31 2ai6 h ILE 109 N 0.72 1.05 -0.33 1.86 2.04 -0.88 -1.39 117.51 120.59 2ai6 h ILE 109 Ca 0.12 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2ai6 h ILE 109 Cb 0.62 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2ai6 h ILE 109 CO 0.04 0.06 0.08 0.11 0.00 0.00 0.00 178.15 178.44 2ai6 h LYS 110 N 0.32 0.48 -0.63 2.37 1.57 -0.73 1.00 116.57 120.95 2ai6 h LYS 110 Ca 0.09 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2ai6 h LYS 110 Cb -0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2ai6 h LYS 110 CO -0.03 0.44 0.14 0.00 -0.57 0.00 0.00 179.45 179.43 2ai6 h ALA 111 N 1.62 0.83 0.00 3.86 0.00 -0.55 -3.28 119.26 121.75 2ai6 h ALA 111 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ai6 h ALA 111 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ai6 h ALA 111 CO -0.00 0.56 -0.92 1.63 0.00 0.00 0.00 179.25 180.52 2ai6 n LYS 112 N -4.30 0.46 -3.89 0.00 4.76 -0.57 -5.02 118.16 109.61 2ai6 n LYS 112 Ca 0.04 0.09 -0.34 0.00 -2.87 0.00 0.00 58.31 55.22 2ai6 n LYS 112 Cb 0.26 -1.74 0.01 0.00 -1.84 0.00 0.00 35.03 31.72 2ai6 n LYS 112 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2ai6 n TYR 113 N -2.39 -1.67 0.30 2.13 4.01 0.28 -4.89 117.16 114.93 2ai6 n TYR 113 Ca 0.01 0.42 0.17 0.00 -0.16 0.00 0.00 57.90 58.35 2ai6 n TYR 113 Cb 0.50 -3.28 0.75 0.00 -0.31 0.00 0.00 39.34 37.00 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ai6 h PRO 114 N -2.08 0.00 -3.98 -0.72 0.13 -1.94 -3.44 132.00 119.97 2ai6 h PRO 114 Ca -0.67 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.34 2ai6 h PRO 114 Cb 1.38 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.38 2ai6 h PRO 114 CO 0.54 0.00 -0.38 0.34 -0.23 0.00 0.00 178.00 178.27 2ai6 s ASP 115 N -5.38 0.09 0.32 1.44 2.15 -1.26 -4.75 116.67 109.27 2ai6 s ASP 115 Ca 0.00 -0.93 -0.00 0.00 0.43 0.00 0.00 52.55 52.05 2ai6 s ASP 115 Cb 0.10 0.41 0.52 0.00 -0.30 0.00 0.00 42.92 43.64 2ai6 s ASP 115 CO 0.49 -0.86 1.98 1.88 -0.17 0.00 0.00 175.17 178.49 2ai6 h TYR 116 N 2.60 0.95 -3.05 -5.34 0.05 -1.96 -3.46 116.97 106.76 2ai6 h TYR 116 Ca -0.32 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.52 2ai6 h TYR 116 Cb 1.22 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.60 2ai6 h TYR 116 CO 0.40 0.59 0.21 -2.00 -1.05 0.00 0.00 178.16 176.32 2ai6 s GLU 117 N -5.86 1.85 0.14 4.88 2.12 -1.26 -5.00 118.70 115.57 2ai6 s GLU 117 Ca -0.11 -1.08 -0.13 0.00 0.36 0.00 0.00 54.97 54.01 2ai6 s GLU 117 Cb 0.18 0.60 0.01 0.00 0.26 0.00 0.00 34.13 35.19 2ai6 s GLU 117 CO 0.78 -0.84 0.35 0.54 -0.54 0.00 0.00 175.26 175.55 2ai6 s VAL 118 N -3.66 0.08 0.24 3.70 0.11 -1.26 -2.45 120.40 117.15 2ai6 s VAL 118 Ca 0.13 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 2ai6 s VAL 118 Cb -0.05 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2ai6 s VAL 118 CO 0.08 -0.35 0.15 0.42 -3.33 0.00 0.00 175.10 172.07 2ai6 s THR 119 N -3.87 0.16 0.21 5.04 -4.23 -0.23 -4.92 115.64 107.80 2ai6 s THR 119 Ca 0.08 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 2ai6 s THR 119 Cb 0.02 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 2ai6 s THR 119 CO -0.07 0.00 0.27 -1.66 -0.54 0.00 0.00 174.62 172.62 2ai6 s TRP 120 N -3.91 0.78 -0.03 3.99 1.48 -1.26 -1.43 118.94 118.56 2ai6 s TRP 120 Ca 0.38 -1.08 -0.05 0.00 -1.06 0.00 0.00 56.10 54.30 2ai6 s TRP 120 Cb 0.06 -0.23 0.01 0.00 -1.16 0.00 0.00 33.47 32.14 2ai6 s TRP 120 CO 0.15 -0.77 0.11 0.00 -4.06 0.00 0.00 176.95 172.38 2ai6 s ALA 121 N -4.08 -0.27 -0.19 2.67 0.00 -0.79 -4.91 121.76 114.18 2ai6 s ALA 121 Ca 0.30 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2ai6 s ALA 121 Cb 0.04 -0.10 0.24 0.00 0.00 0.00 0.00 23.12 23.30 2ai6 s ALA 121 CO 0.09 -0.10 1.51 -1.71 0.00 0.00 0.00 175.76 175.55 2ai6 n ASN 122 N 2.52 3.98 -3.01 0.00 5.15 -1.26 -4.45 115.26 118.19 2ai6 n ASN 122 Ca -0.16 -2.69 -0.11 0.00 -0.60 0.00 0.00 54.58 51.03 2ai6 n ASN 122 Cb 0.58 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.22 0.32 0.00 1.20 -1.08 -1.26 -5.00 116.67 111.07 2ai6 s ASP 123 Ca 0.22 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 50.99 2ai6 s ASP 123 Cb 0.19 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.44 2ai6 s ASP 123 CO 0.03 -1.57 0.00 0.61 0.52 0.00 0.00 175.17 174.76 2ai6 n GLY 124 N -0.55 1.27 0.00 2.66 0.00 -1.26 -1.01 105.19 106.30 2ai6 n GLY 124 Ca -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60