#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ai6 n SER 4 N 0.00 0.00 -0.11 -3.46 7.64 -1.26 -2.94 113.62 113.49 1ai6 n SER 4 Ca 0.00 0.50 0.08 0.00 1.01 0.00 0.00 58.87 60.46 1ai6 n SER 4 Cb 0.00 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 1ai6 n SER 4 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ai6 n SER 5 N -1.50 1.03 -4.75 6.43 3.41 -1.26 -4.84 113.62 112.14 1ai6 n SER 5 Ca 0.05 -1.01 -0.40 0.00 -0.26 0.00 0.00 58.87 57.25 1ai6 n SER 5 Cb 0.25 0.85 -0.05 0.00 -0.26 0.00 0.00 64.21 65.00 1ai6 n SER 5 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ai6 s GLU 6 N -2.38 4.48 -0.14 4.33 2.12 -1.15 -5.06 118.70 120.89 1ai6 s GLU 6 Ca 0.08 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1ai6 s GLU 6 Cb 0.13 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.18 1ai6 s GLU 6 CO 0.60 0.31 -0.13 0.42 -0.54 0.00 0.00 175.26 175.92 1ai6 s ILE 7 N -0.13 1.48 -0.18 -3.70 1.01 -1.26 -4.49 121.20 113.93 1ai6 s ILE 7 Ca 0.37 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1ai6 s ILE 7 Cb -0.20 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1ai6 s ILE 7 CO 0.22 0.44 0.00 -0.75 0.00 0.00 0.00 174.94 174.86 1ai6 s LYS 8 N 1.49 3.72 -0.29 2.79 2.20 -0.54 -4.96 119.74 124.15 1ai6 s LYS 8 Ca 0.04 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1ai6 s LYS 8 Cb -0.13 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1ai6 s LYS 8 CO -0.10 0.15 0.02 0.42 -0.36 0.00 0.00 175.35 175.48 1ai6 s ILE 9 N 0.63 3.24 -0.22 5.43 1.01 -1.26 -1.11 121.20 128.92 1ai6 s ILE 9 Ca -0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1ai6 s ILE 9 Cb -0.14 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1ai6 s ILE 9 CO 0.02 -0.02 -0.01 -0.69 0.00 0.00 0.00 174.94 174.24 1ai6 s VAL 10 N 1.33 3.66 -0.06 2.92 1.01 -0.79 -4.95 120.40 123.53 1ai6 s VAL 10 Ca -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1ai6 s VAL 10 Cb -0.19 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1ai6 s VAL 10 CO -0.01 0.41 0.15 -0.13 0.00 0.00 0.00 175.10 175.52 1ai6 s ARG 11 N 1.40 3.39 0.00 2.72 0.52 -1.26 -0.53 118.95 125.18 1ai6 s ARG 11 Ca 0.05 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1ai6 s ARG 11 Cb -0.14 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1ai6 s ARG 11 CO -0.01 0.72 0.00 -0.40 0.02 0.00 0.00 175.30 175.63 1ai6 n ASP 12 N 1.44 0.00 0.34 0.23 5.68 -0.64 -4.85 116.55 118.75 1ai6 n ASP 12 Ca -0.15 -0.75 0.23 0.00 -0.50 0.00 0.00 54.79 53.62 1ai6 n ASP 12 Cb 0.54 0.00 1.21 0.00 -1.14 0.00 0.00 41.12 41.73 1ai6 n ASP 12 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ai6 h GLU 13 N 0.00 0.00 -0.36 0.11 3.07 -2.00 0.88 114.58 116.28 1ai6 h GLU 13 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ai6 h GLU 13 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1ai6 h GLU 13 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 1ai6 n TYR 14 N -3.11 0.47 -0.46 4.33 4.01 -1.26 -4.93 117.16 116.21 1ai6 n TYR 14 Ca -0.03 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1ai6 n TYR 14 Cb 0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1ai6 n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ai6 n GLY 15 N 1.00 0.76 3.63 2.72 0.00 0.30 -5.01 105.19 108.59 1ai6 n GLY 15 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1ai6 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ai6 s MET 16 N -0.54 3.86 0.25 1.61 0.00 -1.26 -4.61 119.30 118.61 1ai6 s MET 16 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 55.69 56.69 1ai6 s MET 16 Cb 0.00 -3.92 -0.09 0.00 0.00 0.00 0.00 34.83 30.81 1ai6 s MET 16 CO 0.00 -1.19 1.29 -1.25 0.00 0.00 0.00 175.02 173.87 1ai6 s PRO 17 N 4.33 4.40 -0.12 4.11 0.04 -1.26 -1.62 135.00 144.88 1ai6 s PRO 17 Ca 0.60 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.74 1ai6 s PRO 17 Cb -0.18 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 1ai6 s PRO 17 CO 0.25 -0.18 -0.19 -1.01 0.04 0.00 0.00 177.00 175.90 1ai6 s HIS 18 N -0.42 2.68 -0.15 0.56 3.76 0.31 -4.98 115.29 117.05 1ai6 s HIS 18 Ca 0.53 -0.98 -0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1ai6 s HIS 18 Cb -0.37 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1ai6 s HIS 18 CO 0.43 -0.40 -0.01 0.42 -0.85 0.00 0.00 174.74 174.33 1ai6 s ILE 19 N 0.49 4.12 -0.16 0.60 -1.09 -1.26 -1.88 121.20 122.02 1ai6 s ILE 19 Ca -0.13 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1ai6 s ILE 19 Cb -0.17 -2.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1ai6 s ILE 19 CO 0.05 0.50 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.75 1ai6 s TYR 20 N 0.19 2.67 0.18 3.97 2.02 -0.27 -5.00 117.35 121.11 1ai6 s TYR 20 Ca -0.00 -1.51 -0.23 0.00 -0.37 0.00 0.00 57.07 54.96 1ai6 s TYR 20 Cb -0.13 -1.85 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 1ai6 s TYR 20 CO 0.02 -0.74 0.64 0.00 -1.57 0.00 0.00 175.55 173.90 1ai6 s ALA 21 N 1.18 -1.54 -0.05 3.71 0.00 -1.26 -1.46 121.76 122.33 1ai6 s ALA 21 Ca 0.02 0.36 0.18 0.00 0.00 0.00 0.00 51.96 52.51 1ai6 s ALA 21 Cb -0.14 0.86 -0.28 0.00 0.00 0.00 0.00 23.12 23.57 1ai6 s ALA 21 CO -0.10 -0.82 0.34 0.09 0.00 0.00 0.00 175.76 175.27 1ai6 n ASN 22 N -0.39 0.72 -4.26 0.00 5.03 -1.26 -4.87 115.26 110.23 1ai6 n ASN 22 Ca -0.14 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.15 1ai6 n ASN 22 Cb 0.64 1.67 -0.10 0.00 -1.02 0.00 0.00 39.78 40.97 1ai6 n ASN 22 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1ai6 s ASP 23 N -4.35 0.99 0.13 6.41 1.47 -1.26 -5.04 116.67 115.02 1ai6 s ASP 23 Ca -0.07 -1.40 -0.27 0.00 1.18 0.00 0.00 52.55 51.98 1ai6 s ASP 23 Cb 0.11 0.23 -0.05 0.00 -0.34 0.00 0.00 42.92 42.87 1ai6 s ASP 23 CO 0.77 -0.77 1.60 0.74 0.68 0.00 0.00 175.17 178.19 1ai6 h THR 24 N 2.42 0.25 -0.73 2.11 2.02 -1.96 -0.91 112.91 116.10 1ai6 h THR 24 Ca -0.37 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1ai6 h THR 24 Cb 1.25 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1ai6 h THR 24 CO 0.58 0.00 0.45 -0.25 0.37 0.00 0.00 175.52 176.67 1ai6 h TRP 25 N -0.47 0.96 -0.43 3.16 7.01 -1.94 -1.43 115.95 122.81 1ai6 h TRP 25 Ca 0.07 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 1ai6 h TRP 25 Cb 0.58 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1ai6 h TRP 25 CO -0.40 0.64 0.02 0.45 -2.79 0.00 0.00 178.44 176.36 1ai6 h HIS 26 N 1.00 0.80 -0.22 2.65 3.86 -1.85 -1.44 115.15 119.95 1ai6 h HIS 26 Ca 0.26 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1ai6 h HIS 26 Cb -0.04 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.16 1ai6 h HIS 26 CO -0.01 0.79 -0.12 1.25 0.86 0.00 0.00 177.93 180.70 1ai6 h LEU 27 N 0.58 -0.39 0.00 2.43 5.85 -0.80 -1.12 115.31 121.87 1ai6 h LEU 27 Ca 0.12 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ai6 h LEU 27 Cb 0.45 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1ai6 h LEU 27 CO 0.02 -0.15 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.57 1ai6 h PHE 28 N -0.10 0.00 -0.08 1.25 0.04 -1.26 -2.26 116.94 114.53 1ai6 h PHE 28 Ca 0.12 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 1ai6 h PHE 28 Cb 0.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1ai6 h PHE 28 CO -0.28 0.00 -0.11 -0.92 -0.60 0.00 0.00 178.31 176.39 1ai6 h TYR 29 N 0.00 0.26 -0.32 -0.55 5.03 -1.01 -2.04 116.97 118.33 1ai6 h TYR 29 Ca 0.00 -0.09 0.07 0.00 2.58 0.00 0.00 58.73 61.29 1ai6 h TYR 29 Cb 0.83 -0.05 -0.07 0.00 1.55 0.00 0.00 36.73 38.99 1ai6 h TYR 29 CO 0.00 0.69 -0.14 0.78 -1.32 0.00 0.00 178.16 178.18 1ai6 h GLY 30 N -0.25 0.13 0.32 1.82 0.00 -0.92 -1.51 103.07 102.67 1ai6 h GLY 30 Ca 0.01 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.57 1ai6 h GLY 30 CO 0.03 -0.16 -0.16 -1.82 0.00 0.00 0.00 176.54 174.42 1ai6 h TYR 31 N -0.08 -0.41 -0.88 5.60 5.03 -1.35 -1.65 116.97 123.22 1ai6 h TYR 31 Ca 0.16 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.56 1ai6 h TYR 31 Cb 0.33 0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.77 1ai6 h TYR 31 CO -0.35 -0.24 0.55 0.78 -1.32 0.00 0.00 178.16 177.58 1ai6 h GLY 32 N -0.16 1.33 0.96 1.82 0.00 -1.13 -1.16 103.07 104.73 1ai6 h GLY 32 Ca 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ai6 h GLY 32 CO -0.32 0.28 0.01 -1.82 0.00 0.00 0.00 176.54 174.69 1ai6 h TYR 33 N 1.01 0.01 0.00 5.60 3.20 -0.53 -1.65 116.97 124.60 1ai6 h TYR 33 Ca 0.38 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.16 1ai6 h TYR 33 Cb 0.16 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1ai6 h TYR 33 CO -0.03 0.05 -0.43 -0.39 -1.64 0.00 0.00 178.16 175.72 1ai6 h VAL 34 N -0.03 1.09 -0.71 1.81 -1.51 -1.05 -1.77 116.25 114.09 1ai6 h VAL 34 Ca 0.00 -1.61 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 1ai6 h VAL 34 Cb 0.04 1.92 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 1ai6 h VAL 34 CO -0.00 0.42 0.41 0.58 -1.23 0.00 0.00 177.57 177.75 1ai6 h VAL 35 N 0.00 1.21 -0.27 7.19 2.07 -1.11 0.06 116.25 125.40 1ai6 h VAL 35 Ca -0.00 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1ai6 h VAL 35 Cb 0.89 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1ai6 h VAL 35 CO 0.06 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.67 1ai6 h ALA 36 N 1.21 1.15 -0.36 1.67 0.00 -1.03 0.13 119.26 122.03 1ai6 h ALA 36 Ca 0.25 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1ai6 h ALA 36 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ai6 h ALA 36 CO -0.04 0.54 -0.27 1.96 0.00 0.00 0.00 179.25 181.43 1ai6 h GLN 37 N 0.45 0.82 0.09 0.00 4.20 -0.56 -3.28 115.11 116.82 1ai6 h GLN 37 Ca 0.07 -0.40 -0.34 0.00 0.06 0.00 0.00 58.65 58.05 1ai6 h GLN 37 Cb 0.60 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1ai6 h GLN 37 CO 0.04 1.03 -1.85 -0.44 -0.67 0.00 0.00 178.83 176.94 1ai6 h ASP 38 N 0.61 0.28 -0.41 1.46 3.32 -0.79 -3.43 116.42 117.46 1ai6 h ASP 38 Ca 0.07 -0.60 -0.27 0.00 0.02 0.00 0.00 57.03 56.24 1ai6 h ASP 38 Cb 0.84 -0.09 -0.39 0.00 0.22 0.00 0.00 39.33 39.91 1ai6 h ASP 38 CO 0.07 1.54 -1.05 0.54 -1.72 0.00 0.00 179.24 178.62 1ai6 n ARG 39 N -3.34 1.76 0.06 3.56 5.12 0.43 -4.96 116.66 119.29 1ai6 n ARG 39 Ca -0.25 -3.40 -0.12 0.00 -1.93 0.00 0.00 57.85 52.14 1ai6 n ARG 39 Cb 1.05 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.79 1ai6 n ARG 39 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ai6 h LEU 40 N 2.30 -0.06 -0.78 0.55 5.85 -1.64 -0.54 115.31 120.99 1ai6 h LEU 40 Ca -0.08 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1ai6 h LEU 40 Cb 1.38 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1ai6 h LEU 40 CO 0.25 -0.04 0.23 0.15 -0.34 0.00 0.00 178.44 178.68 1ai6 h PHE 41 N -0.07 1.18 -0.28 1.25 3.57 -1.93 -1.22 116.94 119.44 1ai6 h PHE 41 Ca -0.00 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ai6 h PHE 41 Cb 0.05 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1ai6 h PHE 41 CO -0.08 0.93 0.17 0.37 -2.23 0.00 0.00 178.31 177.47 1ai6 h GLN 42 N 1.10 0.39 -0.41 1.11 4.15 -1.90 -0.72 115.11 118.83 1ai6 h GLN 42 Ca 0.24 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 1ai6 h GLN 42 Cb 0.30 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1ai6 h GLN 42 CO -0.01 0.31 0.07 0.52 -1.93 0.00 0.00 178.83 177.79 1ai6 h MET 43 N 0.36 0.62 -0.15 1.69 2.86 -1.00 0.12 114.93 119.43 1ai6 h MET 43 Ca 0.10 -0.12 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 1ai6 h MET 43 Cb 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1ai6 h MET 43 CO -0.02 0.60 -0.59 1.49 1.06 0.00 0.00 176.91 179.44 1ai6 h GLU 44 N 0.60 0.48 0.03 1.72 4.57 -0.86 -0.11 114.58 121.01 1ai6 h GLU 44 Ca 0.13 -0.32 -0.22 0.00 -1.18 0.00 0.00 59.36 57.78 1ai6 h GLU 44 Cb 0.28 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1ai6 h GLU 44 CO 0.00 0.93 -0.98 0.52 -1.18 0.00 0.00 179.01 178.31 1ai6 h MET 45 N 0.36 0.19 -0.41 1.92 2.86 -0.65 -2.24 114.93 116.96 1ai6 h MET 45 Ca -0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1ai6 h MET 45 Cb 1.14 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1ai6 h MET 45 CO 0.11 1.02 0.18 0.00 1.06 0.00 0.00 176.91 179.27 1ai6 h ALA 46 N 0.89 0.53 -0.79 6.32 0.00 -0.66 0.20 119.26 125.74 1ai6 h ALA 46 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ai6 h ALA 46 Cb 1.65 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1ai6 h ALA 46 CO 0.15 0.11 0.53 -0.09 0.00 0.00 0.00 179.25 179.95 1ai6 h ARG 47 N 0.51 1.04 -0.06 0.00 2.43 -0.79 0.19 114.38 117.71 1ai6 h ARG 47 Ca 0.14 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1ai6 h ARG 47 Cb 0.16 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1ai6 h ARG 47 CO -0.01 0.69 -0.55 0.00 -1.51 0.00 0.00 179.97 178.58 1ai6 h ARG 48 N 1.08 0.17 -0.31 0.20 3.08 -0.95 -2.67 114.38 114.98 1ai6 h ARG 48 Ca 0.29 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 1ai6 h ARG 48 Cb -0.12 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1ai6 h ARG 48 CO -0.06 0.68 -0.03 0.77 -1.07 0.00 0.00 179.97 180.25 1ai6 h SER 49 N 0.13 0.56 0.81 7.04 0.02 0.33 0.16 113.55 122.60 1ai6 h SER 49 Ca -0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1ai6 h SER 49 Cb 1.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1ai6 h SER 49 CO 0.08 0.76 0.00 0.35 -1.14 0.00 0.00 176.83 176.89 1ai6 n THR 50 N -4.52 0.13 0.10 -2.27 -2.24 -0.03 -3.22 114.28 102.23 1ai6 n THR 50 Ca -0.03 0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1ai6 n THR 50 Cb 0.29 -0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1ai6 n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ai6 n GLN 51 N -1.44 3.08 -2.47 -0.78 6.02 -1.01 -4.83 117.38 115.96 1ai6 n GLN 51 Ca 0.08 -0.30 -0.08 0.00 -0.01 0.00 0.00 57.00 56.70 1ai6 n GLN 51 Cb 0.29 -0.81 0.04 0.00 1.02 0.00 0.00 30.24 30.78 1ai6 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ai6 n GLY 52 N 0.63 -0.06 1.74 1.08 0.00 0.31 -4.65 105.19 104.24 1ai6 n GLY 52 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1ai6 n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ai6 n THR 53 N -2.41 1.25 0.14 2.61 -2.24 0.20 -4.78 114.28 109.05 1ai6 n THR 53 Ca -0.07 -2.55 -0.24 0.00 -2.27 0.00 0.00 64.05 58.93 1ai6 n THR 53 Cb 0.57 0.45 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 1ai6 n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ai6 h VAL 54 N 4.49 1.29 0.00 2.28 2.07 -1.89 -3.31 116.25 121.18 1ai6 h VAL 54 Ca -0.05 -2.73 -0.02 0.00 0.82 0.00 0.00 66.70 64.71 1ai6 h VAL 54 Cb 1.47 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 34.27 1ai6 h VAL 54 CO 0.21 0.82 -0.11 0.00 0.02 0.00 0.00 177.57 178.52 1ai6 h ALA 55 N 0.20 1.45 -0.73 1.67 0.00 -1.77 0.18 119.26 120.25 1ai6 h ALA 55 Ca -0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ai6 h ALA 55 Cb 2.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.89 1ai6 h ALA 55 CO 0.27 0.13 0.48 0.93 0.00 0.00 0.00 179.25 181.06 1ai6 h GLU 56 N 0.00 0.97 0.00 0.00 5.08 -1.87 0.41 114.58 119.17 1ai6 h GLU 56 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ai6 h GLU 56 Cb 0.25 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ai6 h GLU 56 CO 0.01 0.64 -1.80 1.33 -1.00 0.00 0.00 179.01 178.20 1ai6 n VAL 57 N -4.42 0.04 0.17 3.13 0.24 -0.93 -4.68 118.33 111.88 1ai6 n VAL 57 Ca 0.08 -0.40 0.02 0.00 -2.04 0.00 0.00 64.34 62.00 1ai6 n VAL 57 Cb 0.03 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1ai6 n VAL 57 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ai6 n LEU 58 N -2.11 0.88 0.00 1.34 4.77 0.58 -5.00 117.00 117.45 1ai6 n LEU 58 Ca -0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1ai6 n LEU 58 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ai6 n LEU 58 CO 0.36 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1ai6 n GLY 59 N 0.57 -1.78 0.27 -0.72 0.00 0.14 -4.66 105.19 99.02 1ai6 n GLY 59 Ca 0.02 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.15 1ai6 n GLY 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ai6 h LYS 60 N 0.00 0.34 0.00 1.61 2.10 -1.97 -2.40 116.57 116.25 1ai6 h LYS 60 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1ai6 h LYS 60 Cb 0.00 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1ai6 h LYS 60 CO 0.00 0.32 0.00 -0.44 -2.00 0.00 0.00 179.45 177.33 1ai6 h ASP 61 N 0.34 0.00 -0.54 7.07 3.32 -1.97 -2.98 116.42 121.65 1ai6 h ASP 61 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ai6 h ASP 61 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ai6 h ASP 61 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1ai6 n PHE 62 N -2.96 0.97 -0.11 4.55 3.01 -0.90 -4.64 117.46 117.39 1ai6 n PHE 62 Ca -0.02 -0.57 -0.10 0.00 1.01 0.00 0.00 57.45 57.77 1ai6 n PHE 62 Cb 0.12 -0.12 0.05 0.00 -0.01 0.00 0.00 39.48 39.52 1ai6 n PHE 62 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ai6 h VAL 63 N 3.27 1.27 -0.27 -4.37 2.07 -1.67 -1.52 116.25 115.03 1ai6 h VAL 63 Ca 0.00 -1.41 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 1ai6 h VAL 63 Cb 1.10 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1ai6 h VAL 63 CO 0.09 0.47 -0.25 0.50 0.02 0.00 0.00 177.57 178.41 1ai6 h LYS 64 N 0.73 0.64 0.16 1.57 1.63 -1.83 -1.37 116.57 118.10 1ai6 h LYS 64 Ca 0.09 -0.33 0.02 0.00 -0.85 0.00 0.00 60.65 59.57 1ai6 h LYS 64 Cb 0.81 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.41 1ai6 h LYS 64 CO 0.07 0.94 -0.32 0.35 -3.45 0.00 0.00 179.45 177.04 1ai6 h PHE 65 N 0.37 -0.86 -0.31 1.91 3.57 -1.85 0.27 116.94 120.04 1ai6 h PHE 65 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1ai6 h PHE 65 Cb 0.81 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1ai6 h PHE 65 CO 0.07 -0.43 0.05 -0.44 -2.23 0.00 0.00 178.31 175.33 1ai6 h ASP 66 N -0.56 -0.02 -0.98 0.41 3.32 -1.22 0.51 116.42 117.87 1ai6 h ASP 66 Ca 0.02 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1ai6 h ASP 66 Cb 0.57 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1ai6 h ASP 66 CO -0.16 0.02 0.65 0.11 -1.72 0.00 0.00 179.24 178.14 1ai6 h LYS 67 N 0.15 1.24 -0.58 3.56 1.57 -0.83 -1.86 116.57 119.81 1ai6 h LYS 67 Ca 0.14 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1ai6 h LYS 67 Cb 0.16 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1ai6 h LYS 67 CO -0.20 0.82 0.09 -0.44 -0.57 0.00 0.00 179.45 179.15 1ai6 h ASP 68 N 1.27 0.92 -0.21 0.86 3.32 0.93 -1.71 116.42 121.80 1ai6 h ASP 68 Ca 0.38 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1ai6 h ASP 68 Cb -0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1ai6 h ASP 68 CO -0.11 0.94 0.11 0.40 -1.72 0.00 0.00 179.24 178.86 1ai6 h ILE 69 N 0.85 1.00 -0.16 0.35 1.08 -0.59 -2.76 117.51 117.29 1ai6 h ILE 69 Ca 0.18 -0.08 -0.10 0.00 -0.39 0.00 0.00 64.86 64.47 1ai6 h ILE 69 Cb 0.42 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1ai6 h ILE 69 CO 0.01 0.04 -0.32 0.03 -0.69 0.00 0.00 178.15 177.22 1ai6 h ARG 70 N 0.23 0.32 -0.01 2.37 3.08 -1.11 -2.45 114.38 116.81 1ai6 h ARG 70 Ca 0.09 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ai6 h ARG 70 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ai6 h ARG 70 CO -0.06 0.61 0.01 0.00 -1.07 0.00 0.00 179.97 179.46 1ai6 h ARG 71 N 0.28 0.00 -0.60 0.04 3.08 -1.15 -3.11 114.38 112.91 1ai6 h ARG 71 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ai6 h ARG 71 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1ai6 h ARG 71 CO 0.05 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.24 1ai6 n ASN 72 N -4.36 2.44 -3.52 7.04 4.05 -0.92 -4.93 115.26 115.06 1ai6 n ASN 72 Ca -0.03 -2.22 -0.08 0.00 0.45 0.00 0.00 54.58 52.70 1ai6 n ASN 72 Cb 0.10 -0.42 -0.01 0.00 1.23 0.00 0.00 39.78 40.69 1ai6 n ASN 72 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1ai6 s TYR 73 N -1.68 -0.02 -0.36 1.20 1.13 -1.18 -5.11 117.35 111.34 1ai6 s TYR 73 Ca 0.22 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.38 1ai6 s TYR 73 Cb 0.15 0.71 0.11 0.00 -1.10 0.00 0.00 41.96 41.83 1ai6 s TYR 73 CO 0.10 -1.34 0.15 -0.46 -2.51 0.00 0.00 175.55 171.49 1ai6 s TRP 74 N -3.32 1.92 0.28 -3.49 -0.11 -1.26 -4.98 118.94 107.98 1ai6 s TRP 74 Ca 0.14 -2.08 0.03 0.00 1.22 0.00 0.00 56.10 55.40 1ai6 s TRP 74 Cb -0.05 -1.84 0.65 0.00 -1.50 0.00 0.00 33.47 30.73 1ai6 s TRP 74 CO 0.09 -0.85 1.75 -1.35 -4.62 0.00 0.00 176.95 171.98 1ai6 h PRO 75 N 7.51 0.60 -0.65 5.86 0.10 -2.00 -1.99 132.00 141.44 1ai6 h PRO 75 Ca -0.08 -0.04 0.03 0.00 0.10 0.00 0.00 66.00 66.02 1ai6 h PRO 75 Cb 0.98 -0.14 -0.04 0.00 0.10 0.00 0.00 31.00 31.91 1ai6 h PRO 75 CO 0.47 0.40 0.43 -0.44 0.10 0.00 0.00 178.00 178.96 1ai6 h ASP 76 N 0.62 0.66 -0.41 -2.05 3.32 -1.99 -0.19 116.42 116.38 1ai6 h ASP 76 Ca 0.53 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 1ai6 h ASP 76 Cb 0.84 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1ai6 h ASP 76 CO -0.41 0.45 0.18 0.00 -1.72 0.00 0.00 179.24 177.75 1ai6 h ALA 77 N 1.62 1.47 0.01 3.45 0.00 -1.79 0.40 119.26 124.41 1ai6 h ALA 77 Ca 0.26 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1ai6 h ALA 77 Cb 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ai6 h ALA 77 CO -0.07 0.41 -1.04 0.82 0.00 0.00 0.00 179.25 179.36 1ai6 h ILE 78 N 0.64 1.29 -0.72 0.00 1.08 -1.03 -2.76 117.51 116.01 1ai6 h ILE 78 Ca 0.16 -2.28 -0.07 0.00 -0.39 0.00 0.00 64.86 62.28 1ai6 h ILE 78 Cb 0.13 2.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 1ai6 h ILE 78 CO -0.02 0.70 0.18 0.03 -0.69 0.00 0.00 178.15 178.36 1ai6 h ARG 79 N 0.38 1.15 -0.31 2.37 3.08 -1.11 -1.61 114.38 118.33 1ai6 h ARG 79 Ca -0.13 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1ai6 h ARG 79 Cb 1.70 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 1ai6 h ARG 79 CO 0.20 1.00 0.03 0.00 -1.07 0.00 0.00 179.97 180.13 1ai6 h ALA 80 N 1.10 1.47 -0.21 0.04 0.00 -0.92 0.24 119.26 120.98 1ai6 h ALA 80 Ca 0.23 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1ai6 h ALA 80 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ai6 h ALA 80 CO 0.00 0.38 -0.53 1.96 0.00 0.00 0.00 179.25 181.06 1ai6 h GLN 81 N 0.46 0.63 -0.39 0.00 4.20 -1.11 -2.74 115.11 116.15 1ai6 h GLN 81 Ca 0.10 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 1ai6 h GLN 81 Cb 0.25 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1ai6 h GLN 81 CO 0.00 1.00 -0.12 0.82 -0.67 0.00 0.00 178.83 179.87 1ai6 h ILE 82 N 0.49 1.28 -0.04 2.54 2.04 -0.35 -2.73 117.51 120.74 1ai6 h ILE 82 Ca 0.01 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.67 1ai6 h ILE 82 Cb 1.09 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1ai6 h ILE 82 CO 0.11 0.41 0.08 0.00 0.00 0.00 0.00 178.15 178.74 1ai6 h ALA 83 N 0.83 1.36 -0.18 1.87 0.00 -0.51 -1.37 119.26 121.27 1ai6 h ALA 83 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ai6 h ALA 83 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ai6 h ALA 83 CO 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1ai6 n ALA 84 N -2.18 2.51 -1.68 0.00 0.00 -1.03 -4.95 120.51 113.18 1ai6 n ALA 84 Ca -0.02 -0.60 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 1ai6 n ALA 84 Cb 0.16 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1ai6 n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ai6 s LEU 85 N -1.62 3.61 0.82 0.00 1.43 -0.52 -5.02 118.68 117.38 1ai6 s LEU 85 Ca 0.34 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 1ai6 s LEU 85 Cb 0.19 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.93 1ai6 s LEU 85 CO 0.28 -1.31 1.09 -0.94 0.23 0.00 0.00 176.35 175.70 1ai6 s SER 86 N -2.17 4.20 0.34 2.29 1.04 -1.26 -4.77 113.70 113.36 1ai6 s SER 86 Ca 0.69 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.62 1ai6 s SER 86 Cb -0.21 -2.20 0.61 0.00 0.10 0.00 0.00 66.02 64.31 1ai6 s SER 86 CO 0.32 -2.18 1.98 -0.65 0.98 0.00 0.00 173.24 173.69 1ai6 h PRO 87 N -1.23 0.88 -0.40 4.02 0.11 -1.98 -0.42 132.00 132.98 1ai6 h PRO 87 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1ai6 h PRO 87 Cb 1.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1ai6 h PRO 87 CO 0.56 0.58 -0.02 1.49 -0.21 0.00 0.00 178.00 180.40 1ai6 h GLU 88 N 0.91 0.72 -0.20 1.05 4.57 -2.00 -2.41 114.58 117.22 1ai6 h GLU 88 Ca 0.29 -0.24 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 1ai6 h GLU 88 Cb 0.02 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1ai6 h GLU 88 CO -0.08 0.82 -0.56 -0.44 -1.18 0.00 0.00 179.01 177.58 1ai6 h ASP 89 N 0.55 0.67 -0.37 1.04 3.32 -1.62 -3.13 116.42 116.87 1ai6 h ASP 89 Ca 0.11 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1ai6 h ASP 89 Cb 0.51 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1ai6 h ASP 89 CO 0.02 1.09 0.13 -0.03 -1.72 0.00 0.00 179.24 178.73 1ai6 h MET 90 N 0.46 0.64 -0.92 3.56 4.05 -1.08 -2.77 114.93 118.88 1ai6 h MET 90 Ca 0.01 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1ai6 h MET 90 Cb 1.11 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.74 1ai6 h MET 90 CO 0.11 0.57 0.59 0.77 0.23 0.00 0.00 176.91 179.17 1ai6 h SER 91 N 0.63 0.95 0.25 1.39 0.02 -1.38 0.17 113.55 115.59 1ai6 h SER 91 Ca 0.15 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ai6 h SER 91 Cb 0.20 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1ai6 h SER 91 CO -0.01 0.63 -0.39 0.40 -1.14 0.00 0.00 176.83 176.32 1ai6 h ILE 92 N 1.10 0.21 -0.60 3.27 2.04 -1.54 1.14 117.51 123.12 1ai6 h ILE 92 Ca 0.38 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.17 1ai6 h ILE 92 Cb 0.10 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1ai6 h ILE 92 CO -0.15 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.00 1ai6 h LEU 93 N -0.71 0.95 0.07 1.44 3.38 -1.50 -2.48 115.31 116.47 1ai6 h LEU 93 Ca -0.00 -0.23 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 1ai6 h LEU 93 Cb 0.68 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ai6 h LEU 93 CO -0.14 0.97 -1.00 -0.61 0.09 0.00 0.00 178.44 177.74 1ai6 h GLN 94 N 0.93 0.56 -0.26 1.13 5.75 -0.38 -2.66 115.11 120.18 1ai6 h GLN 94 Ca 0.18 -0.69 0.04 0.00 -0.15 0.00 0.00 58.65 58.03 1ai6 h GLN 94 Cb 0.44 0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.14 1ai6 h GLN 94 CO 0.01 1.29 -0.48 0.78 -2.65 0.00 0.00 178.83 177.78 1ai6 h GLY 95 N 0.14 -1.14 0.26 2.39 0.00 0.14 0.12 103.07 104.98 1ai6 h GLY 95 Ca -0.14 0.72 0.10 0.00 0.00 0.00 0.00 47.33 48.01 1ai6 h GLY 95 CO 0.19 -0.22 0.15 -1.82 0.00 0.00 0.00 176.54 174.85 1ai6 h TYR 96 N -0.41 0.25 -0.43 5.60 5.03 -1.24 -0.43 116.97 125.34 1ai6 h TYR 96 Ca 0.05 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.27 1ai6 h TYR 96 Cb 0.55 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1ai6 h TYR 96 CO -0.66 0.00 -0.21 0.00 -1.32 0.00 0.00 178.16 175.98 1ai6 h ALA 97 N 1.45 0.82 -0.77 1.82 0.00 -1.03 -2.56 119.26 118.98 1ai6 h ALA 97 Ca 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ai6 h ALA 97 Cb 0.43 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ai6 h ALA 97 CO -0.37 0.65 0.40 -0.44 0.00 0.00 0.00 179.25 179.48 1ai6 h ASP 98 N 0.74 0.99 -0.80 0.00 3.32 -0.01 -1.48 116.42 119.19 1ai6 h ASP 98 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ai6 h ASP 98 Cb 0.74 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1ai6 h ASP 98 CO 0.06 0.83 0.42 1.23 -1.72 0.00 0.00 179.24 180.06 1ai6 h GLY 99 N 1.08 1.21 0.70 2.75 0.00 -1.02 0.44 103.07 108.23 1ai6 h GLY 99 Ca 0.27 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1ai6 h GLY 99 CO -0.04 0.54 -0.03 -0.33 0.00 0.00 0.00 176.54 176.67 1ai6 h MET 100 N 1.13 0.19 -0.83 4.80 2.86 -1.27 -2.92 114.93 118.89 1ai6 h MET 100 Ca 0.28 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.91 1ai6 h MET 100 Cb 0.05 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1ai6 h MET 100 CO -0.04 0.53 0.50 -0.91 1.06 0.00 0.00 176.91 178.05 1ai6 h ASN 101 N -0.15 0.78 -0.13 1.22 4.21 -0.87 0.18 115.58 120.82 1ai6 h ASN 101 Ca 0.02 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.59 1ai6 h ASN 101 Cb 0.46 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.48 1ai6 h ASN 101 CO 0.01 0.50 -0.11 0.00 -1.29 0.00 0.00 177.43 176.54 1ai6 h ALA 102 N 1.40 -0.02 -0.20 -0.83 0.00 -0.77 0.41 119.26 119.25 1ai6 h ALA 102 Ca 0.36 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1ai6 h ALA 102 Cb 0.19 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ai6 h ALA 102 CO -0.18 -0.56 -0.37 2.35 0.00 0.00 0.00 179.25 180.49 1ai6 h TRP 103 N -0.13 0.51 -0.04 0.00 2.91 -1.24 -2.60 115.95 115.36 1ai6 h TRP 103 Ca 0.09 -0.14 -0.09 0.00 1.13 0.00 0.00 58.89 59.87 1ai6 h TRP 103 Cb 0.25 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 1ai6 h TRP 103 CO -0.23 0.75 -0.41 0.82 -1.03 0.00 0.00 178.44 178.34 1ai6 h ILE 104 N 0.37 1.30 0.46 2.65 2.04 -0.05 -1.00 117.51 123.29 1ai6 h ILE 104 Ca 0.04 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 1ai6 h ILE 104 Cb 0.82 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1ai6 h ILE 104 CO 0.07 0.42 -0.22 0.44 0.00 0.00 0.00 178.15 178.86 1ai6 h ASP 105 N 0.08 -0.53 -0.78 1.72 3.32 0.07 -0.92 116.42 119.38 1ai6 h ASP 105 Ca 0.01 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ai6 h ASP 105 Cb 0.76 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 1ai6 h ASP 105 CO 0.06 -0.32 0.52 0.11 -1.72 0.00 0.00 179.24 177.88 1ai6 h LYS 106 N -0.70 1.00 -0.47 3.56 1.57 -1.26 -2.28 116.57 117.99 1ai6 h LYS 106 Ca -0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1ai6 h LYS 106 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1ai6 h LYS 106 CO 0.10 0.66 0.20 0.28 -0.57 0.00 0.00 179.45 180.12 1ai6 h VAL 107 N 1.03 1.20 0.00 0.50 2.07 -1.06 -1.68 116.25 118.31 1ai6 h VAL 107 Ca 0.29 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ai6 h VAL 107 Cb -0.08 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1ai6 h VAL 107 CO -0.07 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.34 1ai6 n ASN 108 N -4.59 0.00 -0.00 0.57 3.02 -0.36 -2.70 115.26 111.20 1ai6 n ASN 108 Ca 0.01 0.37 0.01 0.00 -0.03 0.00 0.00 54.58 54.94 1ai6 n ASN 108 Cb 0.14 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 1ai6 n ASN 108 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ai6 n THR 109 N -1.45 0.89 -3.06 3.41 -1.04 -0.89 -4.57 114.28 107.57 1ai6 n THR 109 Ca 0.07 -0.67 -0.18 0.00 -2.04 0.00 0.00 64.05 61.22 1ai6 n THR 109 Cb 0.24 -0.46 -0.02 0.00 -1.82 0.00 0.00 70.33 68.27 1ai6 n THR 109 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ai6 n ASN 110 N -2.68 1.54 0.25 8.00 2.85 -0.68 -4.97 115.26 119.57 1ai6 n ASN 110 Ca -0.13 -3.09 0.16 0.00 -0.11 0.00 0.00 54.58 51.42 1ai6 n ASN 110 Cb 0.83 -0.60 0.65 0.00 1.24 0.00 0.00 39.78 41.90 1ai6 n ASN 110 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ai6 h PRO 111 N 2.99 0.00 0.00 1.20 0.13 -1.76 -2.07 132.00 132.49 1ai6 h PRO 111 Ca 0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1ai6 h PRO 111 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ai6 h PRO 111 CO 0.55 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.09 1ai6 h GLU 112 N 0.00 0.00 0.00 0.86 3.07 -1.93 -2.77 114.58 113.81 1ai6 h GLU 112 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1ai6 h GLU 112 Cb 0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1ai6 h GLU 112 CO 0.00 0.16 -1.05 0.25 -1.40 0.00 0.00 179.01 176.98 1ai6 n THR 113 N -4.05 0.04 0.52 1.13 -2.24 -1.12 -4.85 114.28 103.71 1ai6 n THR 113 Ca -0.02 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 1ai6 n THR 113 Cb 0.24 -0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 67.65 1ai6 n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ai6 n LEU 114 N -1.92 0.53 -4.68 3.22 4.77 -0.80 -4.94 117.00 113.17 1ai6 n LEU 114 Ca -0.01 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.28 1ai6 n LEU 114 Cb 0.42 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1ai6 n LEU 114 CO 0.02 0.13 0.81 -0.22 -1.33 0.00 0.00 177.39 176.79 1ai6 s LEU 115 N -3.71 4.22 0.11 2.23 2.96 -1.05 -4.90 118.68 118.54 1ai6 s LEU 115 Ca 0.00 1.50 -0.36 0.00 -0.22 0.00 0.00 54.13 55.06 1ai6 s LEU 115 Cb 0.15 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 43.12 1ai6 s LEU 115 CO 0.88 -0.48 1.28 -2.65 -1.32 0.00 0.00 176.35 174.06 1ai6 n PRO 116 N 5.21 1.10 -0.30 0.98 -0.02 -1.26 -4.84 135.00 135.88 1ai6 n PRO 116 Ca 0.09 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1ai6 n PRO 116 Cb 0.48 -1.99 0.29 0.00 -0.02 0.00 0.00 33.50 32.26 1ai6 n PRO 116 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ai6 h LYS 117 N 4.17 0.21 0.00 -0.52 3.64 -1.99 -2.27 116.57 119.81 1ai6 h LYS 117 Ca -0.47 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ai6 h LYS 117 Cb 1.34 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1ai6 h LYS 117 CO 0.75 0.14 -0.01 1.96 -2.27 0.00 0.00 179.45 180.02 1ai6 h GLN 118 N 0.21 0.00 -0.70 1.90 7.50 -1.98 -1.09 115.11 120.95 1ai6 h GLN 118 Ca 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.68 1ai6 h GLN 118 Cb 1.09 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.59 1ai6 h GLN 118 CO -0.65 0.01 0.37 0.74 -1.50 0.00 0.00 178.83 177.79 1ai6 h PHE 119 N 0.00 0.97 0.20 2.96 0.04 -1.68 0.25 116.94 119.68 1ai6 h PHE 119 Ca -0.00 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1ai6 h PHE 119 Cb 0.01 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.86 1ai6 h PHE 119 CO 0.00 0.70 -0.10 -0.91 -0.60 0.00 0.00 178.31 177.41 1ai6 h ASN 120 N 0.96 -0.23 -0.81 2.17 -0.26 -1.36 0.65 115.58 116.70 1ai6 h ASN 120 Ca 0.24 -0.26 0.19 0.00 -0.56 0.00 0.00 56.30 55.92 1ai6 h ASN 120 Cb 0.07 0.06 -0.13 0.00 -1.06 0.00 0.00 38.32 37.26 1ai6 h ASN 120 CO -0.04 0.16 0.17 0.74 -1.06 0.00 0.00 177.43 177.40 1ai6 h THR 121 N -0.65 0.39 -0.15 2.81 2.02 -1.09 0.75 112.91 116.99 1ai6 h THR 121 Ca -0.03 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ai6 h THR 121 Cb 0.47 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1ai6 h THR 121 CO 0.04 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.46 1ai6 n PHE 122 N -5.23 0.18 -2.77 3.16 3.72 0.85 -5.00 117.46 112.37 1ai6 n PHE 122 Ca 0.17 -0.09 -0.08 0.00 -0.05 0.00 0.00 57.45 57.40 1ai6 n PHE 122 Cb 0.56 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1ai6 n PHE 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ai6 n GLY 123 N 1.31 0.29 3.74 1.37 0.00 0.26 -4.98 105.19 107.17 1ai6 n GLY 123 Ca 0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1ai6 n GLY 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ai6 s PHE 124 N -3.13 -0.24 0.16 1.61 -0.71 -0.73 -5.03 117.98 109.91 1ai6 s PHE 124 Ca 0.14 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 55.97 1ai6 s PHE 124 Cb -0.06 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 1ai6 s PHE 124 CO 0.28 -1.01 -0.12 0.95 -1.34 0.00 0.00 175.22 173.98 1ai6 s THR 125 N -3.65 1.36 0.50 -4.49 -4.23 -1.26 -4.48 115.64 99.39 1ai6 s THR 125 Ca 0.09 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 1ai6 s THR 125 Cb -0.04 -1.83 -0.06 0.00 1.34 0.00 0.00 72.50 71.91 1ai6 s THR 125 CO 0.01 -0.63 1.33 -2.16 -0.54 0.00 0.00 174.62 172.63 1ai6 s PRO 126 N -3.48 3.40 0.32 3.99 0.04 -1.26 -5.06 135.00 132.95 1ai6 s PRO 126 Ca 0.17 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.47 1ai6 s PRO 126 Cb -0.00 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1ai6 s PRO 126 CO 0.03 -0.96 -0.02 0.15 0.04 0.00 0.00 177.00 176.24 1ai6 s LYS 127 N -2.75 2.06 0.51 4.56 1.02 -1.26 -5.04 119.74 118.85 1ai6 s LYS 127 Ca 0.67 -1.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.79 1ai6 s LYS 127 Cb -0.39 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 1ai6 s LYS 127 CO 0.47 0.20 1.01 1.03 -0.92 0.00 0.00 175.35 177.14 1ai6 s ARG 128 N -3.68 3.79 0.15 1.68 0.52 -1.26 -5.03 118.95 115.13 1ai6 s ARG 128 Ca 0.34 1.14 0.05 0.00 -0.52 0.00 0.00 55.73 56.74 1ai6 s ARG 128 Cb -0.02 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 1ai6 s ARG 128 CO 0.19 -0.41 0.11 -1.58 0.02 0.00 0.00 175.30 173.62 1ai6 s TRP 129 N -2.36 3.11 0.32 -0.53 0.52 -1.26 -5.10 118.94 113.64 1ai6 s TRP 129 Ca 0.63 -0.02 0.05 0.00 0.02 0.00 0.00 56.10 56.77 1ai6 s TRP 129 Cb -0.13 -1.51 -0.06 0.00 -1.15 0.00 0.00 33.47 30.62 1ai6 s TRP 129 CO 0.27 0.52 0.03 -1.83 0.02 0.00 0.00 176.95 175.96 1ai6 s GLU 130 N -2.96 1.64 0.39 4.98 -1.05 -1.26 -4.77 118.70 115.67 1ai6 s GLU 130 Ca 0.30 -1.89 0.20 0.00 -0.15 0.00 0.00 54.97 53.43 1ai6 s GLU 130 Cb -0.10 -0.97 1.16 0.00 -0.44 0.00 0.00 34.13 33.77 1ai6 s GLU 130 CO 0.22 -0.13 1.71 -1.35 0.95 0.00 0.00 175.26 176.67 1ai6 h PRO 131 N 2.14 0.32 -0.82 -4.83 0.11 -1.93 0.50 132.00 127.48 1ai6 h PRO 131 Ca -0.41 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1ai6 h PRO 131 Cb 1.24 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1ai6 h PRO 131 CO 0.70 0.21 0.54 0.35 -0.21 0.00 0.00 178.00 179.59 1ai6 h PHE 132 N 0.33 1.04 -0.40 0.65 3.57 -1.96 -1.95 116.94 118.23 1ai6 h PHE 132 Ca 0.68 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 62.08 1ai6 h PHE 132 Cb 1.76 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1ai6 h PHE 132 CO -0.00 0.67 -0.23 -0.44 -2.23 0.00 0.00 178.31 176.07 1ai6 h ASP 133 N 1.12 0.81 -0.32 0.41 3.32 -1.29 -1.61 116.42 118.86 1ai6 h ASP 133 Ca 0.30 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ai6 h ASP 133 Cb -0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1ai6 h ASP 133 CO -0.06 1.01 0.16 0.58 -1.72 0.00 0.00 179.24 179.21 1ai6 h VAL 134 N 0.69 1.15 -0.61 -1.35 2.07 -1.28 -2.48 116.25 114.44 1ai6 h VAL 134 Ca 0.09 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1ai6 h VAL 134 Cb 0.75 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1ai6 h VAL 134 CO 0.06 0.16 0.07 0.00 0.02 0.00 0.00 177.57 177.88 1ai6 h ALA 135 N 1.02 0.97 0.00 1.67 0.00 -1.31 -2.77 119.26 118.84 1ai6 h ALA 135 Ca 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1ai6 h ALA 135 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ai6 h ALA 135 CO -0.01 0.64 -0.21 0.52 0.00 0.00 0.00 179.25 180.18 1ai6 h MET 136 N 0.95 0.00 0.27 0.00 2.07 -1.17 -1.74 114.93 115.32 1ai6 h MET 136 Ca 0.19 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1ai6 h MET 136 Cb 0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 1ai6 h MET 136 CO 0.02 0.21 -0.34 0.82 1.07 0.00 0.00 176.91 178.69 1ai6 h ILE 137 N 0.00 0.29 -0.18 -1.22 1.08 -1.14 0.03 117.51 116.37 1ai6 h ILE 137 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1ai6 h ILE 137 Cb 0.60 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1ai6 h ILE 137 CO 0.03 0.00 0.09 0.15 -0.69 0.00 0.00 178.15 177.73 1ai6 h PHE 138 N -0.67 0.26 -0.30 1.37 3.57 -1.56 -2.30 116.94 117.32 1ai6 h PHE 138 Ca -0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1ai6 h PHE 138 Cb 0.63 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1ai6 h PHE 138 CO -0.23 0.27 0.08 0.28 -2.23 0.00 0.00 178.31 176.48 1ai6 h VAL 139 N 0.18 0.90 -0.64 1.41 2.07 -1.21 0.72 116.25 119.68 1ai6 h VAL 139 Ca 0.06 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1ai6 h VAL 139 Cb 0.10 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1ai6 h VAL 139 CO -0.01 0.04 0.09 1.23 0.02 0.00 0.00 177.57 178.94 1ai6 h GLY 140 N 0.21 1.15 -0.00 2.17 0.00 -0.97 -1.21 103.07 104.41 1ai6 h GLY 140 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1ai6 h GLY 140 CO -0.15 0.70 -0.55 -1.30 0.00 0.00 0.00 176.54 175.24 1ai6 n THR 141 N -4.21 0.00 0.03 4.70 -2.24 -0.87 -4.01 114.28 107.68 1ai6 n THR 141 Ca 0.04 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 1ai6 n THR 141 Cb 0.29 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1ai6 n THR 141 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1ai6 n MET 142 N -1.27 0.07 -0.17 -0.78 0.00 0.23 -4.37 117.12 110.83 1ai6 n MET 142 Ca 0.02 0.03 -0.10 0.00 0.00 0.00 0.00 57.70 57.65 1ai6 n MET 142 Cb 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 33.22 32.78 1ai6 n MET 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ai6 h ALA 143 N -0.14 0.64 0.00 -5.12 0.00 -1.40 -2.46 119.26 110.78 1ai6 h ALA 143 Ca -0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1ai6 h ALA 143 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ai6 h ALA 143 CO -0.00 0.42 -0.88 -0.91 0.00 0.00 0.00 179.25 177.88 1ai6 h ASN 144 N 0.69 0.00 0.20 0.00 4.21 -1.39 -2.98 115.58 116.31 1ai6 h ASN 144 Ca 0.14 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.38 1ai6 h ASN 144 Cb 0.47 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.70 1ai6 h ASN 144 CO 0.02 0.60 -1.21 -0.09 -1.29 0.00 0.00 177.43 175.46 1ai6 h ARG 145 N 0.00 0.43 -0.04 0.81 2.43 -1.69 -3.38 114.38 112.93 1ai6 h ARG 145 Ca -0.06 -0.73 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 1ai6 h ARG 145 Cb 1.51 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 1ai6 h ARG 145 CO 0.07 1.35 0.00 1.19 -1.51 0.00 0.00 179.97 181.07 1ai6 n PHE 146 N -3.90 0.05 -1.73 2.20 3.72 -0.93 -4.69 117.46 112.18 1ai6 n PHE 146 Ca -0.16 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1ai6 n PHE 146 Cb 0.98 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 1ai6 n PHE 146 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ai6 n SER 147 N 0.05 0.00 -1.12 4.37 2.88 -1.14 -4.84 113.62 113.82 1ai6 n SER 147 Ca 0.02 -1.63 0.02 0.00 -1.33 0.00 0.00 58.87 55.96 1ai6 n SER 147 Cb 0.15 -0.13 0.13 0.00 -0.75 0.00 0.00 64.21 63.61 1ai6 n SER 147 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ai6 n ASP 148 N 0.00 1.77 -4.71 -3.46 2.03 -1.15 -4.93 116.55 106.10 1ai6 n ASP 148 Ca 0.00 -3.21 -0.39 0.00 0.52 0.00 0.00 54.79 51.71 1ai6 n ASP 148 Cb 0.63 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.53 1ai6 n ASP 148 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ai6 s SER 149 N -2.92 6.85 -0.17 1.67 0.01 -1.26 -5.05 113.70 112.82 1ai6 s SER 149 Ca 0.37 1.02 -0.23 0.00 1.31 0.00 0.00 55.95 58.42 1ai6 s SER 149 Cb 0.38 -2.36 0.06 0.00 0.21 0.00 0.00 66.02 64.30 1ai6 s SER 149 CO -0.09 -0.11 0.60 0.28 0.41 0.00 0.00 173.24 174.33 1ai6 s THR 150 N 0.95 0.00 -0.09 1.44 -1.32 -1.26 -5.03 115.64 110.35 1ai6 s THR 150 Ca 0.33 -0.04 0.15 0.00 -1.21 0.00 0.00 61.69 60.92 1ai6 s THR 150 Cb -0.17 -0.87 0.32 0.00 -1.51 0.00 0.00 72.50 70.28 1ai6 s THR 150 CO 0.14 -0.02 1.15 -1.54 -2.21 0.00 0.00 174.62 172.14 1ai6 n SER 151 N 2.22 1.26 -0.30 8.08 3.41 -1.26 -4.90 113.62 122.13 1ai6 n SER 151 Ca -0.16 -2.77 0.09 0.00 -0.26 0.00 0.00 58.87 55.78 1ai6 n SER 151 Cb 0.56 -0.37 0.26 0.00 -0.26 0.00 0.00 64.21 64.39 1ai6 n SER 151 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ai6 h GLU 152 N 0.63 0.51 -0.48 4.33 5.08 -1.98 0.17 114.58 122.84 1ai6 h GLU 152 Ca -0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1ai6 h GLU 152 Cb 1.37 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1ai6 h GLU 152 CO 0.03 0.34 0.12 0.82 -1.00 0.00 0.00 179.01 179.33 1ai6 h ILE 153 N 0.53 1.24 -0.41 3.13 2.04 -2.00 -2.09 117.51 119.93 1ai6 h ILE 153 Ca 0.50 -0.82 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1ai6 h ILE 153 Cb 0.82 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1ai6 h ILE 153 CO -0.43 0.30 -0.27 0.44 0.00 0.00 0.00 178.15 178.19 1ai6 h ASP 154 N 0.66 0.91 -0.82 1.72 3.32 -1.27 -2.65 116.42 118.29 1ai6 h ASP 154 Ca 0.15 -0.36 0.14 0.00 0.02 0.00 0.00 57.03 56.98 1ai6 h ASP 154 Cb 0.32 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 1ai6 h ASP 154 CO 0.00 1.12 0.41 0.78 -1.72 0.00 0.00 179.24 179.83 1ai6 h ASN 155 N 0.75 0.48 -0.01 6.45 2.35 -0.49 -1.11 115.58 123.99 1ai6 h ASN 155 Ca 0.09 0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 1ai6 h ASN 155 Cb 0.83 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1ai6 h ASN 155 CO 0.07 0.20 -0.44 0.25 -1.65 0.00 0.00 177.43 175.86 1ai6 h LEU 156 N 0.59 0.58 -0.85 1.61 5.85 -1.07 -0.18 115.31 121.84 1ai6 h LEU 156 Ca 0.44 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1ai6 h LEU 156 Cb 0.63 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ai6 h LEU 156 CO -0.36 0.95 -0.24 0.00 -0.34 0.00 0.00 178.44 178.45 1ai6 h ALA 157 N 1.08 1.03 -0.11 1.25 0.00 -1.08 -1.20 119.26 120.22 1ai6 h ALA 157 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ai6 h ALA 157 Cb 0.95 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ai6 h ALA 157 CO 0.08 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 1ai6 h LEU 158 N 0.51 0.23 -0.37 0.00 5.85 -0.58 -2.82 115.31 118.13 1ai6 h LEU 158 Ca 0.07 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.46 1ai6 h LEU 158 Cb 0.69 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1ai6 h LEU 158 CO 0.05 0.58 -0.01 0.25 -0.34 0.00 0.00 178.44 178.97 1ai6 h LEU 159 N -0.12 -0.17 -0.54 2.25 5.85 -0.82 -0.09 115.31 121.66 1ai6 h LEU 159 Ca 0.03 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1ai6 h LEU 159 Cb 0.49 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1ai6 h LEU 159 CO 0.01 -0.05 0.28 0.74 -0.34 0.00 0.00 178.44 179.09 1ai6 h THR 160 N 0.09 0.96 -0.49 1.05 2.02 -1.27 -0.05 112.91 115.22 1ai6 h THR 160 Ca 0.18 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1ai6 h THR 160 Cb 0.26 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1ai6 h THR 160 CO -0.31 0.10 -0.05 0.00 0.37 0.00 0.00 175.52 175.63 1ai6 h ALA 161 N 1.28 0.99 0.00 6.16 0.00 -0.83 -1.37 119.26 125.50 1ai6 h ALA 161 Ca 0.24 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ai6 h ALA 161 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ai6 h ALA 161 CO -0.16 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.39 1ai6 h LEU 162 N 0.78 0.00 -0.27 0.00 3.38 -0.45 -2.35 115.31 116.41 1ai6 h LEU 162 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 1ai6 h LEU 162 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ai6 h LEU 162 CO 0.03 0.24 -0.82 0.11 0.09 0.00 0.00 178.44 178.09 1ai6 h LYS 163 N 0.00 0.49 -0.14 1.13 1.57 0.03 -1.58 116.57 118.07 1ai6 h LYS 163 Ca -0.00 -0.44 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 1ai6 h LYS 163 Cb 0.63 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1ai6 h LYS 163 CO 0.03 1.08 -0.55 -0.44 -0.57 0.00 0.00 179.45 179.00 1ai6 h ASP 164 N 0.31 0.47 0.27 0.86 5.19 -0.97 0.14 116.42 122.69 1ai6 h ASP 164 Ca -0.05 -0.25 -0.34 0.00 -0.62 0.00 0.00 57.03 55.76 1ai6 h ASP 164 Cb 1.43 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.82 1ai6 h ASP 164 CO 0.15 0.93 -1.63 0.50 -3.12 0.00 0.00 179.24 176.06 1ai6 h LYS 165 N 0.33 0.41 -0.07 3.56 3.64 -1.42 -3.39 116.57 119.63 1ai6 h LYS 165 Ca 0.01 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1ai6 h LYS 165 Cb 1.06 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1ai6 h LYS 165 CO 0.10 1.32 0.00 0.66 -2.27 0.00 0.00 179.45 179.25 1ai6 n TYR 166 N -3.60 0.09 0.00 1.91 4.01 -0.60 -5.08 117.16 113.89 1ai6 n TYR 166 Ca -0.21 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 1ai6 n TYR 166 Cb 1.08 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1ai6 n TYR 166 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ai6 n GLY 167 N -0.13 -1.86 0.41 2.72 0.00 0.50 -4.03 105.19 102.80 1ai6 n GLY 167 Ca 0.03 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1ai6 n GLY 167 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ai6 h VAL 168 N 0.00 0.00 -0.17 1.61 2.07 -1.90 0.41 116.25 118.27 1ai6 h VAL 168 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1ai6 h VAL 168 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1ai6 h VAL 168 CO 0.00 0.00 -0.46 0.28 0.02 0.00 0.00 177.57 177.41 1ai6 h SER 169 N -0.48 0.45 0.07 0.57 0.02 -1.94 -3.20 113.55 109.03 1ai6 h SER 169 Ca 0.03 -0.21 -0.24 0.00 -0.84 0.00 0.00 61.79 60.53 1ai6 h SER 169 Cb 0.58 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1ai6 h SER 169 CO -0.41 0.85 -0.92 -0.61 -1.14 0.00 0.00 176.83 174.60 1ai6 h GLN 170 N 0.34 0.63 -0.85 3.45 5.75 -1.70 -2.61 115.11 120.11 1ai6 h GLN 170 Ca 0.02 -0.61 0.08 0.00 -0.15 0.00 0.00 58.65 57.99 1ai6 h GLN 170 Cb 0.94 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.58 1ai6 h GLN 170 CO 0.08 1.22 0.51 0.78 -2.65 0.00 0.00 178.83 178.77 1ai6 h GLY 171 N 0.74 1.31 1.14 2.39 0.00 -0.21 -1.34 103.07 107.09 1ai6 h GLY 171 Ca -0.09 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1ai6 h GLY 171 CO 0.18 0.20 0.03 1.98 0.00 0.00 0.00 176.54 178.93 1ai6 h MET 172 N 0.90 1.04 -0.00 4.80 1.85 -1.53 -1.77 114.93 120.22 1ai6 h MET 172 Ca 0.39 -0.30 -0.14 0.00 -0.61 0.00 0.00 59.70 59.04 1ai6 h MET 172 Cb 0.27 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 1ai6 h MET 172 CO -0.21 0.99 -0.65 0.00 -0.40 0.00 0.00 176.91 176.64 1ai6 h ALA 173 N 1.07 0.92 -0.08 0.39 0.00 -1.05 -1.99 119.26 118.52 1ai6 h ALA 173 Ca 0.18 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1ai6 h ALA 173 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ai6 h ALA 173 CO 0.02 0.81 -0.25 0.28 0.00 0.00 0.00 179.25 180.12 1ai6 h VAL 174 N 0.00 1.41 -0.79 0.00 2.07 -0.94 -2.85 116.25 115.15 1ai6 h VAL 174 Ca -0.01 -1.60 0.19 0.00 0.82 0.00 0.00 66.70 66.10 1ai6 h VAL 174 Cb 1.15 2.23 -0.13 0.00 -1.52 0.00 0.00 31.29 33.03 1ai6 h VAL 174 CO 0.09 0.46 0.16 0.15 0.02 0.00 0.00 177.57 178.44 1ai6 h PHE 175 N -0.16 0.22 0.00 1.57 3.57 -1.36 1.72 116.94 122.50 1ai6 h PHE 175 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ai6 h PHE 175 Cb 0.87 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1ai6 h PHE 175 CO 0.12 -0.16 0.00 0.09 -2.23 0.00 0.00 178.31 176.13 1ai6 n ASN 176 N -5.23 0.21 0.11 0.41 3.02 -0.75 -0.64 115.26 112.40 1ai6 n ASN 176 Ca 0.16 0.54 -0.24 0.00 -0.03 0.00 0.00 54.58 55.02 1ai6 n ASN 176 Cb 0.54 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 1ai6 n ASN 176 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1ai6 h GLN 177 N 0.00 0.46 0.21 3.52 4.15 0.28 -3.23 115.11 120.49 1ai6 h GLN 177 Ca 0.00 -0.78 -0.32 0.00 0.77 0.00 0.00 58.65 58.31 1ai6 h GLN 177 Cb 0.38 0.29 0.02 0.00 0.21 0.00 0.00 27.48 28.38 1ai6 h GLN 177 CO 0.00 1.37 -1.53 -0.07 -1.93 0.00 0.00 178.83 176.68 1ai6 h LEU 178 N 0.13 0.68 -6.07 -2.39 3.38 -0.98 -3.40 115.31 106.67 1ai6 h LEU 178 Ca -0.30 -0.93 -0.58 0.00 0.09 0.00 0.00 57.88 56.16 1ai6 h LEU 178 Cb 2.13 -0.22 -0.41 0.00 0.09 0.00 0.00 40.66 42.25 1ai6 h LEU 178 CO 0.22 1.71 -0.79 1.17 0.09 0.00 0.00 178.44 180.84 1ai6 n LYS 179 N -3.73 1.90 -1.65 1.13 3.00 0.19 -5.10 118.16 113.91 1ai6 n LYS 179 Ca -0.21 -4.15 -0.34 0.00 -0.00 0.00 0.00 58.31 53.61 1ai6 n LYS 179 Cb 1.05 -1.88 0.07 0.00 0.00 0.00 0.00 35.03 34.27 1ai6 n LYS 179 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 1ai6 s TRP 180 N -2.10 2.26 -0.04 5.64 -2.14 -1.22 -4.54 118.94 116.80 1ai6 s TRP 180 Ca 0.39 1.57 -0.25 0.00 2.66 0.00 0.00 56.10 60.47 1ai6 s TRP 180 Cb 0.17 -3.41 -0.19 0.00 -3.10 0.00 0.00 33.47 26.94 1ai6 s TRP 180 CO -0.05 -2.31 1.09 1.25 -2.66 0.00 0.00 176.95 174.26 1ai6 h LEU 181 N 0.06 -0.09 -7.99 -4.66 5.85 -1.95 -3.46 115.31 103.07 1ai6 h LEU 181 Ca -0.48 -0.46 -0.17 0.00 0.84 0.00 0.00 57.88 57.61 1ai6 h LEU 181 Cb 1.29 0.02 -0.21 0.00 0.37 0.00 0.00 40.66 42.13 1ai6 h LEU 181 CO 0.52 0.45 -0.70 0.68 -0.34 0.00 0.00 178.44 179.06 1ai6 s VAL 182 N -3.82 0.12 -0.12 1.05 -7.23 -1.26 -5.14 120.40 103.99 1ai6 s VAL 182 Ca -0.15 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1ai6 s VAL 182 Cb 0.01 -0.32 0.03 0.00 0.56 0.00 0.00 36.38 36.66 1ai6 s VAL 182 CO 0.60 -0.52 -0.03 0.21 -0.31 0.00 0.00 175.10 175.05 1ai6 s ASN 183 N -1.53 2.19 0.08 4.85 3.84 -1.26 -5.01 114.94 118.11 1ai6 s ASN 183 Ca -0.15 -0.37 0.21 0.00 0.21 0.00 0.00 52.86 52.76 1ai6 s ASN 183 Cb -0.09 -0.67 0.84 0.00 -0.55 0.00 0.00 41.25 40.78 1ai6 s ASN 183 CO -0.01 -0.19 1.64 -0.81 -2.79 0.00 0.00 177.10 174.94 1ai6 n PRO 184 N 5.02 0.07 0.00 0.43 -0.04 -1.26 -2.81 135.00 136.42 1ai6 n PRO 184 Ca -0.10 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1ai6 n PRO 184 Cb 0.49 -1.62 0.34 0.00 -0.04 0.00 0.00 33.50 32.67 1ai6 n PRO 184 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ai6 n SER 185 N -1.76 1.15 -4.67 3.54 3.41 -1.26 -4.95 113.62 109.08 1ai6 n SER 185 Ca 0.04 -0.97 -0.48 0.00 -0.26 0.00 0.00 58.87 57.20 1ai6 n SER 185 Cb 0.24 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1ai6 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ai6 n ALA 186 N -0.57 1.00 -1.68 7.33 0.00 -1.12 -4.93 120.51 120.54 1ai6 n ALA 186 Ca 0.12 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.51 1ai6 n ALA 186 Cb 0.36 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 1ai6 n ALA 186 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ai6 n PRO 187 N 4.62 2.62 -4.23 0.00 -0.02 -1.26 -4.99 135.00 131.74 1ai6 n PRO 187 Ca 0.19 0.96 -0.27 0.00 -2.02 0.00 0.00 63.50 62.36 1ai6 n PRO 187 Cb 0.28 -2.84 -0.09 0.00 -0.02 0.00 0.00 33.50 30.83 1ai6 n PRO 187 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ai6 s THR 188 N 3.20 3.51 0.24 3.45 -4.23 -1.26 -5.03 115.64 115.51 1ai6 s THR 188 Ca 0.85 -1.45 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1ai6 s THR 188 Cb -0.53 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 1ai6 s THR 188 CO 0.41 -0.06 1.57 0.74 -0.54 0.00 0.00 174.62 176.75 1ai6 h THR 189 N 2.71 1.37 -3.51 3.99 2.02 -2.04 -3.41 112.91 114.04 1ai6 h THR 189 Ca -0.47 -1.88 -0.61 0.00 0.77 0.00 0.00 66.41 64.21 1ai6 h THR 189 Cb 1.19 1.92 -0.13 0.00 -1.74 0.00 0.00 68.15 69.39 1ai6 h THR 189 CO 0.56 0.56 -0.39 -0.63 0.37 0.00 0.00 175.52 175.99 1ai6 s ILE 190 N -3.85 5.31 0.53 3.11 1.01 -1.26 -5.08 121.20 120.97 1ai6 s ILE 190 Ca -0.05 0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.76 1ai6 s ILE 190 Cb 0.12 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1ai6 s ILE 190 CO 0.80 0.33 1.28 0.00 0.00 0.00 0.00 174.94 177.34 1ai6 s ALA 191 N 1.04 2.80 0.34 9.38 0.00 -1.26 -4.90 121.76 129.16 1ai6 s ALA 191 Ca 0.12 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1ai6 s ALA 191 Cb -0.14 -3.50 0.64 0.00 0.00 0.00 0.00 23.12 20.13 1ai6 s ALA 191 CO 0.05 -1.15 1.96 -0.39 0.00 0.00 0.00 175.76 176.23 1ai6 h VAL 192 N 1.43 1.08 -0.98 0.00 -1.51 -1.96 -1.84 116.25 112.46 1ai6 h VAL 192 Ca -0.50 -0.30 0.28 0.00 -1.23 0.00 0.00 66.70 64.94 1ai6 h VAL 192 Cb 1.29 0.12 -0.05 0.00 -2.13 0.00 0.00 31.29 30.52 1ai6 h VAL 192 CO 0.57 0.16 0.70 1.56 -1.23 0.00 0.00 177.57 179.33 1ai6 h GLN 193 N 0.88 0.07 0.00 5.19 7.50 -2.05 -3.13 115.11 123.57 1ai6 h GLN 193 Ca 0.31 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 1ai6 h GLN 193 Cb 0.13 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1ai6 h GLN 193 CO -0.10 0.05 -0.30 0.93 -1.50 0.00 0.00 178.83 177.91 1ai6 h GLU 194 N 0.07 0.00 -2.87 1.46 4.39 -1.70 -3.50 114.58 112.43 1ai6 h GLU 194 Ca 0.48 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.27 1ai6 h GLU 194 Cb 1.78 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.38 1ai6 h GLU 194 CO -0.05 0.04 0.28 -1.54 -1.16 0.00 0.00 179.01 176.59 1ai6 s SER 195 N -5.69 -0.24 0.06 1.42 1.04 -1.18 -5.10 113.70 104.01 1ai6 s SER 195 Ca -0.09 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1ai6 s SER 195 Cb 0.01 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1ai6 s SER 195 CO 0.14 -1.27 -0.09 0.54 0.98 0.00 0.00 173.24 173.54 1ai6 s ASN 196 N -2.93 1.09 0.00 7.02 4.22 -1.26 -4.55 114.94 118.53 1ai6 s ASN 196 Ca 0.11 -0.64 0.04 0.00 -2.14 0.00 0.00 52.86 50.24 1ai6 s ASN 196 Cb -0.05 0.02 0.25 0.00 1.28 0.00 0.00 41.25 42.75 1ai6 s ASN 196 CO 0.06 -0.21 0.72 0.00 -2.04 0.00 0.00 177.10 175.63