#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 -0.31 0.20 -5.12 0.00 -1.26 -5.19 121.76 110.08 2ai6 s ALA 2 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 2ai6 s ALA 2 Cb 0.00 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 2ai6 s ALA 2 CO 0.00 -0.75 0.40 0.54 0.00 0.00 0.00 175.76 175.95 2ai6 s VAL 3 N -3.96 0.03 0.28 0.00 0.11 -1.26 -5.00 120.40 110.61 2ai6 s VAL 3 Ca 0.17 -1.29 -0.02 0.00 -2.93 0.00 0.00 61.98 57.91 2ai6 s VAL 3 Cb 0.01 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 2ai6 s VAL 3 CO 0.02 -0.14 0.34 0.00 -3.33 0.00 0.00 175.10 171.99 2ai6 s ALA 4 N -3.97 0.91 0.13 1.54 0.00 -1.26 -5.00 121.76 114.10 2ai6 s ALA 4 Ca 0.18 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 2ai6 s ALA 4 Cb 0.01 1.27 0.03 0.00 0.00 0.00 0.00 23.12 24.44 2ai6 s ALA 4 CO 0.03 -0.72 0.40 0.34 0.00 0.00 0.00 175.76 175.82 2ai6 s ASP 5 N -3.20 -0.22 0.44 0.00 2.15 -1.26 -4.08 116.67 110.49 2ai6 s ASP 5 Ca 0.33 -0.35 0.23 0.00 0.43 0.00 0.00 52.55 53.20 2ai6 s ASP 5 Cb 0.02 0.48 1.23 0.00 -0.30 0.00 0.00 42.92 44.36 2ai6 s ASP 5 CO 0.17 -0.87 1.80 -0.07 -0.17 0.00 0.00 175.17 176.03 2ai6 h LEU 6 N 2.36 0.30 -2.28 -1.34 3.38 -1.98 -1.30 115.31 114.46 2ai6 h LEU 6 Ca -0.34 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2ai6 h LEU 6 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2ai6 h LEU 6 CO 0.46 0.07 -0.05 0.00 0.09 0.00 0.00 178.44 179.01 2ai6 h ALA 7 N 1.57 1.37 0.00 1.53 0.00 -2.03 -1.95 119.26 119.75 2ai6 h ALA 7 Ca 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2ai6 h ALA 7 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2ai6 h ALA 7 CO -0.19 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.05 2ai6 h LEU 8 N 0.00 0.00 -9.64 0.00 3.38 -1.65 -3.46 115.31 103.93 2ai6 h LEU 8 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 2ai6 h LEU 8 Cb 0.14 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.92 2ai6 h LEU 8 CO 0.01 0.00 0.65 -0.63 0.09 0.00 0.00 178.44 178.55 2ai6 s ILE 9 N -3.23 3.32 0.36 1.22 1.01 -0.73 -4.99 121.20 118.16 2ai6 s ILE 9 Ca 0.07 1.05 -0.28 0.00 0.00 0.00 0.00 60.65 61.49 2ai6 s ILE 9 Cb 0.05 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 2ai6 s ILE 9 CO 0.66 0.14 1.36 -2.16 0.00 0.00 0.00 174.94 174.94 2ai6 s PRO 10 N 0.16 4.18 -0.05 2.79 0.04 -1.26 -4.96 135.00 135.89 2ai6 s PRO 10 Ca 0.58 2.30 -0.08 0.00 0.04 0.00 0.00 61.00 63.84 2ai6 s PRO 10 Cb -0.36 -2.96 -0.29 0.00 0.04 0.00 0.00 34.50 30.94 2ai6 s PRO 10 CO 0.36 -0.37 0.64 0.22 0.04 0.00 0.00 177.00 177.90 2ai6 h ASP 11 N 3.08 0.52 -3.84 6.66 3.58 -1.94 -3.48 116.42 121.01 2ai6 h ASP 11 Ca -0.50 -0.84 -0.20 0.00 0.42 0.00 0.00 57.03 55.92 2ai6 h ASP 11 Cb 1.24 -0.17 -0.27 0.00 1.72 0.00 0.00 39.33 41.85 2ai6 h ASP 11 CO 0.64 1.71 -0.60 -0.69 -2.88 0.00 0.00 179.24 177.42 2ai6 s VAL 12 N -2.58 0.01 -0.27 2.25 1.01 -1.26 -2.42 120.40 117.13 2ai6 s VAL 12 Ca -0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2ai6 s VAL 12 Cb 0.06 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.42 2ai6 s VAL 12 CO 0.84 -0.03 0.56 -0.62 0.00 0.00 0.00 175.10 175.86 2ai6 s ASP 13 N -0.03 -0.88 0.28 3.32 2.15 -1.07 -5.02 116.67 115.42 2ai6 s ASP 13 Ca -0.01 1.20 0.04 0.00 0.43 0.00 0.00 52.55 54.21 2ai6 s ASP 13 Cb -0.01 1.97 -0.04 0.00 -0.30 0.00 0.00 42.92 44.54 2ai6 s ASP 13 CO 0.00 -0.24 0.20 0.27 -0.17 0.00 0.00 175.17 175.24 2ai6 s ILE 14 N 2.80 0.07 -0.45 4.11 -4.36 -1.26 -3.58 121.20 118.52 2ai6 s ILE 14 Ca 0.02 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.48 2ai6 s ILE 14 Cb -0.13 -2.50 0.40 0.00 1.25 0.00 0.00 42.46 41.48 2ai6 s ILE 14 CO -0.18 0.00 1.03 -0.67 0.24 0.00 0.00 174.94 175.36 2ai6 n ASP 15 N -0.97 3.98 0.00 4.36 2.03 -1.10 -4.96 116.55 119.88 2ai6 n ASP 15 Ca 0.04 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.82 2ai6 n ASP 15 Cb 0.64 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2ai6 n ASP 15 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ai6 n SER 16 N -0.32 0.00 0.28 1.67 7.64 -1.26 -3.67 113.62 117.96 2ai6 n SER 16 Ca 0.32 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.38 2ai6 n SER 16 Cb 0.62 0.00 0.79 0.00 -1.01 0.00 0.00 64.21 64.60 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 0.00 0.00 0.00 6.43 3.58 -2.00 -3.46 116.42 120.97 2ai6 h ASP 17 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ai6 h ASP 17 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 17 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2ai6 n GLY 18 N -0.21 2.29 3.73 -0.78 0.00 -1.24 -5.06 105.19 103.92 2ai6 n GLY 18 Ca -0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.40 4.91 0.24 1.61 1.01 -1.26 -4.46 120.40 120.05 2ai6 s VAL 19 Ca 0.00 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 2ai6 s VAL 19 Cb 0.00 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2ai6 s VAL 19 CO 0.00 0.29 0.59 0.72 0.00 0.00 0.00 175.10 176.70 2ai6 s PHE 20 N 0.46 -0.05 0.15 5.22 -0.71 -0.96 -4.89 117.98 117.20 2ai6 s PHE 20 Ca 0.39 -0.33 0.03 0.00 -1.04 0.00 0.00 56.93 55.97 2ai6 s PHE 20 Cb -0.19 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2ai6 s PHE 20 CO 0.21 -1.05 0.28 0.15 -1.34 0.00 0.00 175.22 173.47 2ai6 s LYS 21 N -3.92 3.42 0.20 1.99 1.02 -1.26 -0.69 119.74 120.50 2ai6 s LYS 21 Ca 0.13 -0.61 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2ai6 s LYS 21 Cb -0.03 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2ai6 s LYS 21 CO 0.03 0.52 0.16 1.52 -0.92 0.00 0.00 175.35 176.65 2ai6 s TYR 22 N -1.74 1.08 0.03 3.18 1.13 -0.48 -2.90 117.35 117.65 2ai6 s TYR 22 Ca 0.34 -1.32 -0.05 0.00 -1.41 0.00 0.00 57.07 54.63 2ai6 s TYR 22 Cb -0.11 -0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 40.24 2ai6 s TYR 22 CO 0.28 -0.66 0.09 0.54 -2.51 0.00 0.00 175.55 173.29 2ai6 s VAL 23 N -4.14 0.12 -0.24 -3.49 0.11 -0.28 -2.55 120.40 109.93 2ai6 s VAL 23 Ca 0.37 -1.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.39 2ai6 s VAL 23 Cb 0.06 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2ai6 s VAL 23 CO 0.11 -0.57 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.00 2ai6 s LEU 24 N -1.96 3.07 -0.08 2.54 2.96 -0.60 -2.64 118.68 121.97 2ai6 s LEU 24 Ca -0.07 -0.95 0.05 0.00 -0.22 0.00 0.00 54.13 52.93 2ai6 s LEU 24 Cb -0.03 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 2ai6 s LEU 24 CO -0.03 -0.12 -0.23 0.27 -1.32 0.00 0.00 176.35 174.91 2ai6 s ILE 25 N 1.27 2.17 0.40 6.68 -4.36 -0.81 -0.70 121.20 125.85 2ai6 s ILE 25 Ca -0.01 -1.00 -0.23 0.00 -0.26 0.00 0.00 60.65 59.15 2ai6 s ILE 25 Cb -0.17 -1.82 -0.10 0.00 1.25 0.00 0.00 42.46 41.63 2ai6 s ILE 25 CO -0.06 0.56 0.98 -0.60 0.24 0.00 0.00 174.94 176.06 2ai6 s ARG 26 N 0.09 4.29 -0.06 0.37 3.52 0.43 -0.97 118.95 126.61 2ai6 s ARG 26 Ca -0.11 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.78 2ai6 s ARG 26 Cb -0.16 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.82 2ai6 s ARG 26 CO 0.06 0.01 -0.03 0.08 -0.81 0.00 0.00 175.30 174.60 2ai6 s VAL 27 N -1.88 0.54 0.05 7.11 1.01 0.57 -1.89 120.40 125.90 2ai6 s VAL 27 Ca 0.58 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 2ai6 s VAL 27 Cb -0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2ai6 s VAL 27 CO 0.20 0.25 0.29 -1.00 0.00 0.00 0.00 175.10 174.84 2ai6 s HIS 28 N 1.30 3.55 -0.51 5.22 0.09 -0.33 -1.41 115.29 123.20 2ai6 s HIS 28 Ca -0.05 0.55 -0.26 0.00 -0.00 0.00 0.00 55.06 55.30 2ai6 s HIS 28 Cb -0.14 -1.98 -0.05 0.00 -0.00 0.00 0.00 32.58 30.41 2ai6 s HIS 28 CO -0.02 0.57 2.18 -1.12 -0.00 0.00 0.00 174.74 176.35 2ai6 s SER 29 N -1.93 4.83 0.00 1.40 0.01 -0.43 -3.98 113.70 113.61 2ai6 s SER 29 Ca 0.31 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2ai6 s SER 29 Cb -0.13 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2ai6 s SER 29 CO 0.19 -2.61 0.30 0.00 0.41 0.00 0.00 173.24 171.52 2ai6 n ALA 30 N 14.38 0.98 -1.49 1.44 0.00 -1.26 -4.50 120.51 130.06 2ai6 n ALA 30 Ca 0.30 -0.30 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2ai6 n ALA 30 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 0.62 -1.78 0.00 -0.02 -1.26 -1.28 135.00 131.29 2ai6 n PRO 31 Ca 0.00 0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 2ai6 n PRO 31 Cb 0.49 -1.40 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.86 -1.90 -2.49 -0.52 5.12 0.34 -1.52 116.66 116.54 2ai6 n ARG 32 Ca 0.14 0.21 -0.11 0.00 -1.93 0.00 0.00 57.85 56.15 2ai6 n ARG 32 Cb 0.29 -4.50 -0.00 0.00 -1.16 0.00 0.00 32.46 27.08 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 -0.49 -3.54 0.00 0.55 7.64 -0.40 -4.74 113.62 112.63 2ai6 n SER 33 Ca -0.04 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ai6 n SER 33 Cb 0.33 -3.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 2ai6 n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ai6 n GLY 34 N -0.78 0.20 3.56 0.23 0.00 -0.58 -5.11 105.19 102.71 2ai6 n GLY 34 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2ai6 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 n ALA 35 N 0.00 -0.34 1.19 4.61 0.00 -0.80 -4.89 120.51 120.28 2ai6 n ALA 35 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2ai6 n ALA 35 Cb 0.39 -1.99 0.59 0.00 0.00 0.00 0.00 19.45 18.43 2ai6 n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ai6 n PRO 36 N -0.29 0.52 -2.45 0.00 -0.04 -1.26 -4.87 135.00 126.62 2ai6 n PRO 36 Ca 0.12 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 2ai6 n PRO 36 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.11 -0.23 -2.63 0.55 0.00 -1.26 -5.07 120.51 110.77 2ai6 n ALA 37 Ca 0.14 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 2ai6 n ALA 37 Cb 0.11 0.50 0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.09 3.70 -1.29 0.00 0.00 -1.26 -4.67 120.51 114.89 2ai6 n ALA 38 Ca -0.06 -3.34 -0.09 0.00 0.00 0.00 0.00 53.44 49.95 2ai6 n ALA 38 Cb 0.23 -0.84 0.09 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 -0.20 -0.93 -3.74 0.00 -0.58 -1.26 -4.76 120.64 109.17 2ai6 n GLU 39 Ca 0.15 -0.84 -0.10 0.00 -0.42 0.00 0.00 57.16 55.95 2ai6 n GLU 39 Cb 0.79 -0.62 -0.06 0.00 -0.57 0.00 0.00 31.44 30.99 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 -3.00 -0.08 0.17 1.62 0.01 -1.26 -1.31 113.70 109.85 2ai6 s SER 40 Ca 0.32 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 2ai6 s SER 40 Cb -0.01 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2ai6 s SER 40 CO 0.23 -0.82 0.35 -1.59 0.41 0.00 0.00 173.24 171.82 2ai6 s LYS 41 N -3.84 1.22 0.17 12.44 0.00 -0.50 -4.98 119.74 124.25 2ai6 s LYS 41 Ca 0.05 -1.09 0.06 0.00 0.00 0.00 0.00 55.97 54.99 2ai6 s LYS 41 Cb 0.03 0.42 -0.04 0.00 0.00 0.00 0.00 37.83 38.24 2ai6 s LYS 41 CO -0.11 -0.47 0.07 -1.21 0.00 0.00 0.00 175.35 173.64 2ai6 s GLU 42 N -3.94 2.66 0.09 1.78 8.01 -1.26 -0.31 118.70 125.71 2ai6 s GLU 42 Ca 0.15 -0.99 0.03 0.00 0.01 0.00 0.00 54.97 54.16 2ai6 s GLU 42 Cb 0.02 -2.50 -0.03 0.00 -4.31 0.00 0.00 34.13 27.31 2ai6 s GLU 42 CO -0.01 0.47 -0.09 0.96 0.01 0.00 0.00 175.26 176.60 2ai6 s ILE 43 N -1.76 0.79 -0.18 -1.63 -4.36 -0.14 -4.96 121.20 108.95 2ai6 s ILE 43 Ca 0.29 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 59.09 2ai6 s ILE 43 Cb -0.10 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.34 2ai6 s ILE 43 CO 0.21 -0.61 -0.17 -0.69 0.24 0.00 0.00 174.94 173.92 2ai6 s VAL 44 N -2.53 2.32 0.04 8.37 1.01 -1.02 -1.92 120.40 126.67 2ai6 s VAL 44 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2ai6 s VAL 44 Cb -0.02 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2ai6 s VAL 44 CO -0.01 0.52 -0.08 -0.13 0.00 0.00 0.00 175.10 175.39 2ai6 s ARG 45 N 1.25 0.56 -0.29 2.72 1.81 -1.08 -2.58 118.95 121.34 2ai6 s ARG 45 Ca 0.03 -0.71 -0.25 0.00 -1.72 0.00 0.00 55.73 53.08 2ai6 s ARG 45 Cb -0.14 -0.38 0.18 0.00 -0.45 0.00 0.00 34.95 34.16 2ai6 s ARG 45 CO -0.10 0.08 1.35 0.20 -0.68 0.00 0.00 175.30 176.15 2ai6 s GLY 46 N -1.41 0.23 0.02 -3.53 0.00 -1.23 -1.13 107.32 100.26 2ai6 s GLY 46 Ca -0.07 3.28 -0.17 0.00 0.00 0.00 0.00 44.72 47.75 2ai6 s GLY 46 CO 0.01 1.85 0.38 -0.19 0.00 0.00 0.00 173.10 175.14 2ai6 s TYR 47 N -0.03 -0.24 0.46 1.90 2.02 -1.14 -2.71 117.35 117.61 2ai6 s TYR 47 Ca 0.06 0.27 0.11 0.00 -0.37 0.00 0.00 57.07 57.14 2ai6 s TYR 47 Cb -0.05 0.17 1.03 0.00 -0.40 0.00 0.00 41.96 42.72 2ai6 s TYR 47 CO -0.13 -0.50 2.10 -0.22 -1.57 0.00 0.00 175.55 175.22 2ai6 h LYS 48 N 3.32 0.31 0.00 -0.62 1.63 -1.88 -1.77 116.57 117.56 2ai6 h LYS 48 Ca -0.30 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 2ai6 h LYS 48 Cb 1.19 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2ai6 h LYS 48 CO 0.42 0.21 -0.23 0.11 -3.45 0.00 0.00 179.45 176.51 2ai6 h TRP 49 N 0.32 0.00 -1.36 1.91 5.08 -1.97 -3.29 115.95 116.64 2ai6 h TRP 49 Ca 0.09 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.34 2ai6 h TRP 49 Cb -0.03 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.01 2ai6 h TRP 49 CO 0.00 0.23 1.94 0.00 -1.28 0.00 0.00 178.44 179.33 2ai6 n ALA 50 N -2.40 4.05 0.40 0.11 0.00 -0.67 -4.77 120.51 117.24 2ai6 n ALA 50 Ca -0.02 -4.06 0.04 0.00 0.00 0.00 0.00 53.44 49.40 2ai6 n ALA 50 Cb 0.31 -3.32 0.21 0.00 0.00 0.00 0.00 19.45 16.65 2ai6 n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ai6 n GLU 51 N 6.61 0.12 -3.81 0.00 1.02 -1.24 -4.38 120.64 118.97 2ai6 n GLU 51 Ca 0.43 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2ai6 n GLU 51 Cb 0.43 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ai6 s TYR 52 N -2.56 -0.20 0.45 -0.32 1.13 -1.26 -4.99 117.35 109.60 2ai6 s TYR 52 Ca 0.08 0.50 0.13 0.00 -1.41 0.00 0.00 57.07 56.36 2ai6 s TYR 52 Cb 0.06 0.07 1.02 0.00 -1.10 0.00 0.00 41.96 42.00 2ai6 s TYR 52 CO 0.13 -0.10 2.04 0.45 -2.51 0.00 0.00 175.55 175.55 2ai6 h HIS 53 N 5.84 0.14 -0.07 -3.49 3.86 -1.88 -1.08 115.15 118.47 2ai6 h HIS 53 Ca -0.25 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 58.97 2ai6 h HIS 53 Cb 1.20 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2ai6 h HIS 53 CO 0.41 0.19 0.05 0.00 0.86 0.00 0.00 177.93 179.43 2ai6 h ALA 54 N 1.83 2.01 -0.13 2.45 0.00 -1.96 -0.77 119.26 122.69 2ai6 h ALA 54 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 54 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ai6 h ALA 54 CO 0.01 -0.09 0.01 0.22 0.00 0.00 0.00 179.25 179.40 2ai6 h ASP 55 N 0.00 0.21 -0.44 0.00 3.58 -1.57 -1.17 116.42 117.03 2ai6 h ASP 55 Ca 0.03 -0.29 -0.13 0.00 0.42 0.00 0.00 57.03 57.06 2ai6 h ASP 55 Cb 0.13 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2ai6 h ASP 55 CO -0.00 0.45 -0.23 0.16 -2.88 0.00 0.00 179.24 176.74 2ai6 h ILE 56 N -0.03 1.27 -0.38 2.25 3.07 -1.60 -0.97 117.51 121.13 2ai6 h ILE 56 Ca 0.04 -1.39 0.03 0.00 1.55 0.00 0.00 64.86 65.08 2ai6 h ILE 56 Cb 0.34 1.21 -0.03 0.00 -0.27 0.00 0.00 36.82 38.07 2ai6 h ILE 56 CO 0.01 0.47 0.19 0.22 -1.05 0.00 0.00 178.15 177.98 2ai6 h TYR 57 N 0.78 0.34 -0.03 0.16 3.20 -1.03 0.11 116.97 120.50 2ai6 h TYR 57 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2ai6 h TYR 57 Cb 0.81 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 2ai6 h TYR 57 CO 0.06 0.18 0.00 0.22 -1.64 0.00 0.00 178.16 176.98 2ai6 h ASP 58 N 0.38 0.05 -0.05 -2.11 3.58 -1.15 -0.85 116.42 116.28 2ai6 h ASP 58 Ca 0.16 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 2ai6 h ASP 58 Cb 0.07 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ai6 h ASP 58 CO -0.11 0.31 0.03 0.50 -2.88 0.00 0.00 179.24 177.09 2ai6 h LYS 59 N -0.21 0.06 -0.25 0.28 3.64 -0.98 -0.25 116.57 118.86 2ai6 h LYS 59 Ca 0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2ai6 h LYS 59 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2ai6 h LYS 59 CO 0.00 0.08 -0.15 0.28 -2.27 0.00 0.00 179.45 177.39 2ai6 h VAL 60 N 0.02 1.31 0.00 2.00 2.07 -0.82 -2.09 116.25 118.73 2ai6 h VAL 60 Ca 0.02 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2ai6 h VAL 60 Cb 0.04 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2ai6 h VAL 60 CO -0.00 0.39 -0.11 0.28 0.02 0.00 0.00 177.57 178.15 2ai6 h SER 61 N 0.26 0.00 0.15 0.57 0.02 -1.06 0.66 113.55 114.15 2ai6 h SER 61 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2ai6 h SER 61 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2ai6 h SER 61 CO 0.04 0.11 -0.07 1.23 -1.14 0.00 0.00 176.83 177.00 2ai6 h GLY 62 N 0.43 -0.21 0.90 -3.77 0.00 -0.48 -0.12 103.07 99.81 2ai6 h GLY 62 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2ai6 h GLY 62 CO 0.01 -0.08 0.09 -1.80 0.00 0.00 0.00 176.54 174.76 2ai6 h ASP 63 N -0.27 0.46 -0.55 0.19 3.58 -0.71 -0.35 116.42 118.77 2ai6 h ASP 63 Ca -0.02 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.25 2ai6 h ASP 63 Cb 0.21 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2ai6 h ASP 63 CO 0.03 0.56 0.31 0.24 -2.88 0.00 0.00 179.24 177.50 2ai6 h MET 64 N 0.34 0.58 -0.12 0.28 2.86 -0.89 -0.30 114.93 117.69 2ai6 h MET 64 Ca 0.10 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2ai6 h MET 64 Cb 0.27 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2ai6 h MET 64 CO -0.00 0.38 -0.31 1.96 1.06 0.00 0.00 176.91 180.00 2ai6 h GLN 65 N 0.60 0.22 -0.60 1.72 4.20 -0.83 0.11 115.11 120.54 2ai6 h GLN 65 Ca 0.23 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2ai6 h GLN 65 Cb 0.09 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2ai6 h GLN 65 CO -0.14 0.52 0.16 -0.22 -0.67 0.00 0.00 178.83 178.49 2ai6 h LYS 66 N 0.20 0.91 -0.28 1.46 3.64 -0.26 -1.69 116.57 120.55 2ai6 h LYS 66 Ca 0.03 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 2ai6 h LYS 66 Cb 0.66 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2ai6 h LYS 66 CO 0.05 0.80 -0.22 1.96 -2.27 0.00 0.00 179.45 179.77 2ai6 h GLN 67 N 0.88 0.51 0.00 1.90 4.20 -0.35 -3.47 115.11 118.79 2ai6 h GLN 67 Ca 0.19 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2ai6 h GLN 67 Cb 0.29 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2ai6 h GLN 67 CO -0.00 0.70 0.00 0.41 -0.67 0.00 0.00 178.83 179.27 2ai6 n GLY 68 N -0.42 0.20 3.53 3.46 0.00 0.18 -0.51 105.19 111.63 2ai6 n GLY 68 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.77 1.22 0.14 0.00 2.15 -1.26 -4.08 116.67 111.08 2ai6 s ASP 70 Ca 0.71 -0.27 -0.07 0.00 0.43 0.00 0.00 52.55 53.35 2ai6 s ASP 70 Cb -0.10 -0.11 -0.01 0.00 -0.30 0.00 0.00 42.92 42.40 2ai6 s ASP 70 CO 0.56 0.07 0.22 0.00 -0.17 0.00 0.00 175.17 175.85 2ai6 s GLU 72 N -3.96 0.39 -0.31 0.00 2.56 -0.79 -4.99 118.70 111.59 2ai6 s GLU 72 Ca 0.16 0.84 -0.29 0.00 0.00 0.00 0.00 54.97 55.68 2ai6 s GLU 72 Cb 0.04 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 36.19 2ai6 s GLU 72 CO -0.02 -0.17 1.56 0.00 -0.56 0.00 0.00 175.26 176.07 2ai6 h LEU 74 N 12.21 0.00 0.00 0.00 3.38 -1.27 -3.48 115.31 126.14 2ai6 h LEU 74 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2ai6 h LEU 74 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2ai6 h LEU 74 CO 1.04 0.30 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2ai6 n GLY 75 N -0.32 -1.07 0.00 0.83 0.00 -1.23 -4.69 105.19 98.71 2ai6 n GLY 75 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 1.76 0.00 -0.02 0.00 -0.92 -1.55 105.19 104.46 2ai6 n GLY 76 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.96 3.40 -0.02 0.00 -1.06 -1.44 105.19 107.04 2ai6 n GLY 77 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 0.74 1.47 0.06 1.61 3.52 0.08 -1.38 118.95 125.06 2ai6 s ARG 78 Ca 0.00 -1.57 0.07 0.00 -0.13 0.00 0.00 55.73 54.10 2ai6 s ARG 78 Cb 0.00 -1.60 -0.03 0.00 -1.56 0.00 0.00 34.95 31.77 2ai6 s ARG 78 CO 0.00 0.32 -0.19 0.42 -0.81 0.00 0.00 175.30 175.04 2ai6 s ILE 79 N -2.17 1.52 0.18 4.11 1.01 0.14 -1.54 121.20 124.46 2ai6 s ILE 79 Ca 0.22 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 2ai6 s ILE 79 Cb -0.06 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2ai6 s ILE 79 CO 0.10 0.05 0.36 -0.44 0.00 0.00 0.00 174.94 175.02 2ai6 s SER 80 N -1.42 -0.05 0.07 3.58 0.01 -0.76 -2.26 113.70 112.88 2ai6 s SER 80 Ca 0.05 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.57 2ai6 s SER 80 Cb -0.09 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 2ai6 s SER 80 CO 0.02 -0.96 -0.14 -2.28 0.41 0.00 0.00 173.24 170.29 2ai6 s HIS 81 N -3.95 1.19 0.01 2.43 2.46 -1.26 -0.76 115.29 115.40 2ai6 s HIS 81 Ca 0.16 -0.47 -0.02 0.00 0.47 0.00 0.00 55.06 55.21 2ai6 s HIS 81 Cb 0.02 -0.67 -0.01 0.00 -0.13 0.00 0.00 32.58 31.79 2ai6 s HIS 81 CO 0.01 0.05 0.02 1.14 -2.47 0.00 0.00 174.74 173.49 2ai6 s GLN 82 N -1.78 0.28 0.00 2.88 1.03 -0.30 -5.00 119.66 116.77 2ai6 s GLN 82 Ca -0.02 -0.40 0.05 0.00 0.04 0.00 0.00 55.36 55.03 2ai6 s GLN 82 Cb -0.10 0.11 0.08 0.00 0.03 0.00 0.00 33.01 33.13 2ai6 s GLN 82 CO 0.02 -0.05 0.81 -1.13 -2.54 0.00 0.00 175.29 172.40 2ai6 n SER 83 N 1.93 1.76 0.04 12.60 3.41 -1.26 -1.12 113.62 130.99 2ai6 n SER 83 Ca -0.21 -1.46 -0.01 0.00 -0.26 0.00 0.00 58.87 56.93 2ai6 n SER 83 Cb 0.56 -0.03 0.28 0.00 -0.26 0.00 0.00 64.21 64.75 2ai6 n SER 83 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2ai6 h GLN 84 N 1.05 0.41 0.00 4.33 4.20 -1.97 -3.32 115.11 119.81 2ai6 h GLN 84 Ca 0.00 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 2ai6 h GLN 84 Cb 0.35 -0.04 -0.25 0.00 0.30 0.00 0.00 27.48 27.84 2ai6 h GLN 84 CO 0.00 0.57 -0.78 -3.47 -0.67 0.00 0.00 178.83 174.48 2ai6 n ASP 85 N -4.19 0.49 -3.38 1.46 2.03 -1.26 -5.07 116.55 106.63 2ai6 n ASP 85 Ca -0.00 -1.96 -0.33 0.00 0.52 0.00 0.00 54.79 53.03 2ai6 n ASP 85 Cb 0.33 -0.20 0.03 0.00 -0.72 0.00 0.00 41.12 40.56 2ai6 n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ai6 n LYS 86 N 0.30 -1.66 -4.09 -0.67 4.76 -1.21 -4.92 118.16 110.67 2ai6 n LYS 86 Ca 0.01 1.13 -0.11 0.00 -2.87 0.00 0.00 58.31 56.46 2ai6 n LYS 86 Cb 0.96 -1.85 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 2ai6 n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2ai6 s LYS 87 N -2.84 0.61 0.14 1.97 1.02 -0.27 -3.63 119.74 116.73 2ai6 s LYS 87 Ca 0.26 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2ai6 s LYS 87 Cb -0.03 -0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 2ai6 s LYS 87 CO 0.80 -0.00 0.15 0.42 -0.92 0.00 0.00 175.35 175.79 2ai6 s ILE 88 N -2.39 4.63 -0.01 2.17 -1.09 -0.61 -1.15 121.20 122.75 2ai6 s ILE 88 Ca -0.02 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 2ai6 s ILE 88 Cb -0.03 -3.34 -0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2ai6 s ILE 88 CO -0.03 -0.05 -0.07 -2.28 -1.23 0.00 0.00 174.94 171.28 2ai6 s HIS 89 N -1.67 0.67 -0.12 3.97 2.46 0.06 -0.71 115.29 119.94 2ai6 s HIS 89 Ca 0.31 -0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.72 2ai6 s HIS 89 Cb -0.11 -0.45 0.02 0.00 -0.13 0.00 0.00 32.58 31.92 2ai6 s HIS 89 CO 0.24 -0.02 -0.13 0.08 -2.47 0.00 0.00 174.74 172.43 2ai6 s VAL 90 N -0.10 1.41 0.25 0.89 1.01 -0.66 -1.82 120.40 121.39 2ai6 s VAL 90 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2ai6 s VAL 90 Cb -0.04 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 35.06 2ai6 s VAL 90 CO -0.00 0.43 0.51 0.00 0.00 0.00 0.00 175.10 176.03 2ai6 n TYR 91 N 4.53 -1.88 -4.22 5.22 4.11 -0.59 -2.25 117.16 122.09 2ai6 n TYR 91 Ca -0.17 -1.20 0.00 0.00 -0.00 0.00 0.00 57.90 56.53 2ai6 n TYR 91 Cb 0.51 0.60 0.00 0.00 -0.00 0.00 0.00 39.34 40.44 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 -0.34 -0.99 3.13 -7.48 0.00 -0.13 -0.74 105.19 98.63 2ai6 n GLY 92 Ca -0.06 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 2ai6 n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ai6 s TYR 93 N 0.00 0.04 0.49 1.61 1.13 -1.26 -4.62 117.35 114.75 2ai6 s TYR 93 Ca 0.00 -0.17 -0.21 0.00 -1.41 0.00 0.00 57.07 55.28 2ai6 s TYR 93 Cb 0.00 -0.04 -0.07 0.00 -1.10 0.00 0.00 41.96 40.75 2ai6 s TYR 93 CO 0.00 -0.33 1.15 -1.54 -2.51 0.00 0.00 175.55 172.32 2ai6 s SER 94 N -1.58 6.00 0.63 -0.18 1.04 -0.52 -4.57 113.70 114.52 2ai6 s SER 94 Ca -0.12 2.25 0.36 0.00 0.48 0.00 0.00 55.95 58.91 2ai6 s SER 94 Cb -0.06 -2.59 2.01 0.00 0.10 0.00 0.00 66.02 65.48 2ai6 s SER 94 CO 0.00 -1.03 2.22 -0.03 0.98 0.00 0.00 173.24 175.39 2ai6 h MET 95 N 1.71 0.00 0.00 4.02 4.05 -1.92 -3.17 114.93 119.61 2ai6 h MET 95 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2ai6 h MET 95 Cb 1.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2ai6 h MET 95 CO 0.59 0.00 -0.23 0.00 0.23 0.00 0.00 176.91 177.50 2ai6 n ALA 96 N -2.17 0.93 -0.70 0.39 0.00 -1.26 -4.89 120.51 112.82 2ai6 n ALA 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ai6 n ALA 96 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.58 0.00 -2.11 0.00 4.01 -1.25 -5.15 117.16 112.08 2ai6 n TYR 97 Ca 0.00 -0.07 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2ai6 n TYR 97 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.07 -2.04 3.75 2.72 0.00 -1.20 -4.49 105.19 103.86 2ai6 n GLY 98 Ca 0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2ai6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ai6 s PRO 99 N -0.68 4.48 0.94 1.61 0.04 -1.26 -1.82 135.00 138.31 2ai6 s PRO 99 Ca 0.00 1.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 2ai6 s PRO 99 Cb 0.00 -3.19 0.16 0.00 0.04 0.00 0.00 34.50 31.50 2ai6 s PRO 99 CO 0.00 -0.07 1.15 0.00 0.04 0.00 0.00 177.00 178.12 2ai6 s ALA 100 N -0.42 1.73 -1.29 8.56 0.00 -1.07 -4.58 121.76 124.68 2ai6 s ALA 100 Ca 0.51 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 2ai6 s ALA 100 Cb -0.34 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2ai6 s ALA 100 CO 0.40 -2.41 1.98 1.04 0.00 0.00 0.00 175.76 176.78 2ai6 n GLN 101 N -3.85 2.68 0.27 0.00 6.02 -1.26 -4.80 117.38 116.44 2ai6 n GLN 101 Ca 0.08 -2.74 0.17 0.00 -0.01 0.00 0.00 57.00 54.50 2ai6 n GLN 101 Cb 0.59 -3.36 0.89 0.00 1.02 0.00 0.00 30.24 29.38 2ai6 n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ai6 h HIS 102 N 7.19 0.00 -0.74 1.08 3.86 -1.94 0.80 115.15 125.40 2ai6 h HIS 102 Ca 0.47 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.75 2ai6 h HIS 102 Cb 0.76 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.18 2ai6 h HIS 102 CO 1.40 0.00 0.49 0.00 0.86 0.00 0.00 177.93 180.67 2ai6 h ALA 103 N 1.83 1.73 -0.39 2.45 0.00 -1.96 -1.44 119.26 121.48 2ai6 h ALA 103 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ai6 h ALA 103 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ai6 h ALA 103 CO 0.00 0.15 0.18 0.82 0.00 0.00 0.00 179.25 180.40 2ai6 h ILE 104 N 0.74 1.18 -0.12 0.00 1.08 -1.24 -1.76 117.51 117.39 2ai6 h ILE 104 Ca 0.33 -0.52 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2ai6 h ILE 104 Cb 0.31 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2ai6 h ILE 104 CO -0.11 0.19 0.05 0.28 -0.69 0.00 0.00 178.15 177.87 2ai6 h SER 105 N 0.49 0.07 -0.45 1.72 0.02 -1.40 0.53 113.55 114.53 2ai6 h SER 105 Ca 0.13 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2ai6 h SER 105 Cb 0.14 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2ai6 h SER 105 CO -0.02 0.06 0.24 0.71 -1.14 0.00 0.00 176.83 176.68 2ai6 h THR 106 N 0.12 0.99 -0.11 -2.27 1.35 -1.24 0.99 112.91 112.73 2ai6 h THR 106 Ca 0.05 -0.16 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2ai6 h THR 106 Cb 0.01 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2ai6 h THR 106 CO -0.04 0.09 0.07 -0.33 -0.25 0.00 0.00 175.52 175.05 2ai6 h GLU 107 N 0.47 0.15 -0.14 4.72 4.39 -0.83 -0.26 114.58 123.08 2ai6 h GLU 107 Ca 0.19 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.73 2ai6 h GLU 107 Cb 0.08 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2ai6 h GLU 107 CO -0.12 0.15 -0.49 0.87 -1.16 0.00 0.00 179.01 178.25 2ai6 h LYS 108 N 0.11 0.59 -0.57 2.33 1.57 -0.74 -1.41 116.57 118.44 2ai6 h LYS 108 Ca 0.04 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.33 2ai6 h LYS 108 Cb 0.04 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ai6 h LYS 108 CO -0.01 1.06 0.16 0.82 -0.57 0.00 0.00 179.45 180.92 2ai6 h ILE 109 N 0.23 1.24 -0.94 1.86 2.04 -0.80 0.10 117.51 121.25 2ai6 h ILE 109 Ca -0.02 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2ai6 h ILE 109 Cb 1.12 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2ai6 h ILE 109 CO 0.10 0.31 0.57 0.11 0.00 0.00 0.00 178.15 179.25 2ai6 h LYS 110 N 0.80 1.27 -0.61 2.37 1.57 -0.97 -0.04 116.57 120.95 2ai6 h LYS 110 Ca 0.18 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2ai6 h LYS 110 Cb 0.31 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2ai6 h LYS 110 CO -0.00 0.88 0.23 0.00 -0.57 0.00 0.00 179.45 179.99 2ai6 h ALA 111 N 1.31 0.80 0.00 3.86 0.00 -0.72 -3.01 119.26 121.50 2ai6 h ALA 111 Ca 0.34 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2ai6 h ALA 111 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2ai6 h ALA 111 CO -0.06 0.43 -0.44 -0.22 0.00 0.00 0.00 179.25 178.95 2ai6 h LYS 112 N 0.86 0.00 -6.55 0.00 1.63 -0.50 -3.48 116.57 108.53 2ai6 h LYS 112 Ca 0.20 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.49 2ai6 h LYS 112 Cb 0.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2ai6 h LYS 112 CO -0.01 0.44 -0.95 0.66 -3.45 0.00 0.00 179.45 176.14 2ai6 n TYR 113 N -3.75 -1.65 0.35 1.91 4.01 -0.07 -4.90 117.16 113.05 2ai6 n TYR 113 Ca -0.01 0.45 0.15 0.00 -0.16 0.00 0.00 57.90 58.32 2ai6 n TYR 113 Cb 0.51 -3.30 0.54 0.00 -0.31 0.00 0.00 39.34 36.78 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 -2.06 0.00 0.00 -0.72 0.13 -1.91 -3.45 132.00 123.99 2ai6 h PRO 114 Ca -0.67 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.22 2ai6 h PRO 114 Cb 1.38 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.45 2ai6 h PRO 114 CO 0.55 0.00 -0.14 -3.47 -0.23 0.00 0.00 178.00 174.71 2ai6 n ASP 115 N -2.71 -1.03 -0.05 1.44 -0.08 -1.26 -5.02 116.55 107.84 2ai6 n ASP 115 Ca 0.02 -2.53 -0.14 0.00 -1.51 0.00 0.00 54.79 50.63 2ai6 n ASP 115 Cb 0.31 1.95 -0.07 0.00 2.34 0.00 0.00 41.12 45.65 2ai6 n ASP 115 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2ai6 h TYR 116 N 1.81 0.54 -3.28 -0.67 -1.99 -1.88 -3.48 116.97 108.01 2ai6 h TYR 116 Ca -0.21 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.33 2ai6 h TYR 116 Cb 0.94 -0.10 -0.06 0.00 2.00 0.00 0.00 36.73 39.51 2ai6 h TYR 116 CO 0.00 0.88 0.09 -2.00 -0.00 0.00 0.00 178.16 177.13 2ai6 s GLU 117 N -4.06 1.73 0.03 4.88 2.12 -1.24 -5.00 118.70 117.17 2ai6 s GLU 117 Ca -0.14 -1.15 -0.02 0.00 0.36 0.00 0.00 54.97 54.03 2ai6 s GLU 117 Cb 0.05 0.55 -0.02 0.00 0.26 0.00 0.00 34.13 34.97 2ai6 s GLU 117 CO 0.78 -0.77 0.02 0.08 -0.54 0.00 0.00 175.26 174.83 2ai6 s VAL 118 N -3.82 0.15 0.20 3.70 1.01 -1.26 -1.58 120.40 118.80 2ai6 s VAL 118 Ca 0.16 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2ai6 s VAL 118 Cb -0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2ai6 s VAL 118 CO 0.09 -0.68 0.12 0.42 0.00 0.00 0.00 175.10 175.05 2ai6 s THR 119 N -2.55 0.05 0.22 3.92 -4.23 0.11 -4.89 115.64 108.26 2ai6 s THR 119 Ca -0.06 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 2ai6 s THR 119 Cb -0.02 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 2ai6 s THR 119 CO -0.05 -0.04 0.27 -1.66 -0.54 0.00 0.00 174.62 172.60 2ai6 s TRP 120 N -4.12 0.86 -0.04 3.99 1.48 -1.26 -1.65 118.94 118.20 2ai6 s TRP 120 Ca 0.38 -1.13 -0.06 0.00 -1.06 0.00 0.00 56.10 54.22 2ai6 s TRP 120 Cb 0.07 -0.27 0.01 0.00 -1.16 0.00 0.00 33.47 32.12 2ai6 s TRP 120 CO 0.11 -0.78 0.15 0.00 -4.06 0.00 0.00 176.95 172.37 2ai6 s ALA 121 N -4.09 -0.36 -0.41 2.67 0.00 -0.95 -4.92 121.76 113.70 2ai6 s ALA 121 Ca 0.33 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.55 2ai6 s ALA 121 Cb 0.04 -0.13 0.25 0.00 0.00 0.00 0.00 23.12 23.28 2ai6 s ALA 121 CO 0.11 -0.12 1.14 -1.71 0.00 0.00 0.00 175.76 175.18 2ai6 n ASN 122 N 2.48 2.97 -3.10 0.00 5.15 -1.26 -4.24 115.26 117.26 2ai6 n ASN 122 Ca -0.16 -2.44 -0.11 0.00 -0.60 0.00 0.00 54.58 51.27 2ai6 n ASN 122 Cb 0.58 -0.59 -0.00 0.00 -0.53 0.00 0.00 39.78 39.23 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 0.01 0.34 0.00 1.20 -1.08 -1.26 -4.94 116.67 110.93 2ai6 s ASP 123 Ca 0.19 -1.25 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 2ai6 s ASP 123 Cb 0.15 0.77 0.00 0.00 -1.46 0.00 0.00 42.92 42.39 2ai6 s ASP 123 CO 0.04 -1.52 0.00 0.61 0.52 0.00 0.00 175.17 174.82 2ai6 n GLY 124 N -0.54 2.19 0.00 2.66 0.00 -1.26 -0.95 105.19 107.29 2ai6 n GLY 124 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2ai6 n GLY 124 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30