#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb6 s VAL 2 N 0.00 5.11 0.42 3.15 1.01 -1.26 -2.15 120.40 126.69 1bb6 s VAL 2 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 1bb6 s VAL 2 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1bb6 s VAL 2 CO 0.00 -0.49 1.05 -0.31 0.00 0.00 0.00 175.10 175.36 1bb6 s TYR 3 N 2.05 3.17 0.16 5.22 1.51 0.61 -4.98 117.35 125.08 1bb6 s TYR 3 Ca 0.10 1.62 -0.26 0.00 -1.01 0.00 0.00 57.07 57.52 1bb6 s TYR 3 Cb -0.19 -3.13 -0.08 0.00 -0.11 0.00 0.00 41.96 38.45 1bb6 s TYR 3 CO 0.12 -0.74 0.81 0.34 -1.11 0.00 0.00 175.55 174.97 1bb6 s ASP 4 N -1.65 7.41 0.25 2.29 2.15 -1.26 -4.75 116.67 121.11 1bb6 s ASP 4 Ca 0.60 1.67 -0.07 0.00 0.43 0.00 0.00 52.55 55.18 1bb6 s ASP 4 Cb -0.21 -2.52 0.44 0.00 -0.30 0.00 0.00 42.92 40.33 1bb6 s ASP 4 CO 0.26 0.15 1.62 -0.09 -0.17 0.00 0.00 175.17 176.94 1bb6 h ARG 5 N 4.58 0.06 0.00 4.34 2.43 -1.96 0.03 114.38 123.86 1bb6 h ARG 5 Ca -0.46 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 1bb6 h ARG 5 Cb 1.21 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1bb6 h ARG 5 CO 0.67 0.04 -0.62 0.00 -1.51 0.00 0.00 179.97 178.55 1bb6 h GLU 7 N 0.00 0.96 -0.09 0.00 4.81 -1.46 -1.78 114.58 117.02 1bb6 h GLU 7 Ca -0.01 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1bb6 h GLU 7 Cb 1.28 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1bb6 h GLU 7 CO 0.08 0.97 -0.08 1.25 -0.73 0.00 0.00 179.01 180.50 1bb6 h LEU 8 N 0.87 0.23 -0.62 1.64 5.85 -1.04 -2.72 115.31 119.53 1bb6 h LEU 8 Ca 0.15 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.52 1bb6 h LEU 8 Cb 0.56 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 1bb6 h LEU 8 CO 0.03 0.65 0.15 0.00 -0.34 0.00 0.00 178.44 178.94 1bb6 h ALA 9 N 0.58 0.75 -0.52 1.25 0.00 -1.23 0.75 119.26 120.84 1bb6 h ALA 9 Ca 0.02 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1bb6 h ALA 9 Cb 0.58 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1bb6 h ALA 9 CO 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 179.25 178.95 1bb6 h ARG 10 N 0.29 0.90 -0.32 0.00 3.08 -1.34 -0.73 114.38 116.26 1bb6 h ARG 10 Ca 0.33 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1bb6 h ARG 10 Cb 0.48 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1bb6 h ARG 10 CO -0.40 0.92 -0.41 0.00 -1.07 0.00 0.00 179.97 179.01 1bb6 h ALA 11 N 1.13 0.68 -0.14 0.04 0.00 -0.89 -2.09 119.26 117.99 1bb6 h ALA 11 Ca 0.15 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1bb6 h ALA 11 Cb 0.53 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bb6 h ALA 11 CO 0.03 0.67 -0.69 -0.07 0.00 0.00 0.00 179.25 179.19 1bb6 h LEU 12 N 0.63 0.85 -0.62 0.00 3.38 -0.80 -2.59 115.31 116.15 1bb6 h LEU 12 Ca 0.05 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1bb6 h LEU 12 Cb 0.97 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1bb6 h LEU 12 CO 0.09 1.34 0.41 0.50 0.09 0.00 0.00 178.44 180.87 1bb6 h LYS 13 N 0.41 0.83 0.00 1.13 1.63 -1.11 -2.02 116.57 117.44 1bb6 h LYS 13 Ca -0.05 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1bb6 h LYS 13 Cb 1.32 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1bb6 h LYS 13 CO 0.14 0.55 -0.13 0.00 -3.45 0.00 0.00 179.45 176.56 1bb6 h ALA 14 N 1.22 1.29 -0.07 5.00 0.00 -1.35 -2.88 119.26 122.47 1bb6 h ALA 14 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bb6 h ALA 14 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bb6 h ALA 14 CO -0.05 0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.80 1bb6 n SER 15 N -3.66 2.04 0.00 0.00 7.64 -0.88 -4.94 113.62 113.82 1bb6 n SER 15 Ca -0.02 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1bb6 n SER 15 Cb 0.25 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1bb6 n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bb6 n GLY 16 N 1.24 0.46 0.17 0.23 0.00 -1.09 -4.97 105.19 101.23 1bb6 n GLY 16 Ca 0.17 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1bb6 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1bb6 h MET 17 N 0.00 0.00 -6.38 1.61 2.86 -1.59 -3.36 114.93 108.07 1bb6 h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1bb6 h MET 17 Cb 0.36 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 1bb6 h MET 17 CO 0.00 0.00 1.07 0.34 1.06 0.00 0.00 176.91 179.38 1bb6 s ASP 18 N -5.33 6.15 0.00 1.22 2.15 -1.26 -2.40 116.67 117.19 1bb6 s ASP 18 Ca 0.08 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.81 1bb6 s ASP 18 Cb 0.09 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1bb6 s ASP 18 CO 0.62 -1.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.42 1bb6 n GLY 19 N 5.34 0.79 3.62 2.66 0.00 -0.68 -4.87 105.19 112.05 1bb6 n GLY 19 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1bb6 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bb6 s TYR 20 N -2.11 1.27 -1.57 1.61 5.04 -1.01 -1.31 117.35 119.27 1bb6 s TYR 20 Ca 0.00 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1bb6 s TYR 20 Cb 0.00 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1bb6 s TYR 20 CO 0.00 -4.46 0.00 0.00 -1.34 0.00 0.00 175.55 169.75 1bb6 n ALA 21 N 10.20 -0.49 -0.91 3.97 0.00 -1.26 -2.23 120.51 129.78 1bb6 n ALA 21 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1bb6 n ALA 21 Cb 0.44 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1bb6 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bb6 n GLY 22 N -0.99 0.46 3.23 0.00 0.00 -0.42 -5.04 105.19 102.43 1bb6 n GLY 22 Ca -0.21 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1bb6 n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bb6 s ASN 23 N -2.70 5.47 0.96 1.61 -0.87 -0.95 -4.93 114.94 113.53 1bb6 s ASN 23 Ca 0.00 -1.59 -0.11 0.00 -1.57 0.00 0.00 52.86 49.59 1bb6 s ASN 23 Cb 0.00 -1.92 0.17 0.00 -0.02 0.00 0.00 41.25 39.48 1bb6 s ASN 23 CO 0.00 -0.51 1.12 -0.94 -2.57 0.00 0.00 177.10 174.21 1bb6 s SER 24 N 1.96 2.53 0.18 -1.22 1.04 -1.26 -1.68 113.70 115.25 1bb6 s SER 24 Ca 0.03 2.06 -0.15 0.00 0.48 0.00 0.00 55.95 58.37 1bb6 s SER 24 Cb -0.23 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.53 1bb6 s SER 24 CO 0.00 -3.32 1.66 0.25 0.98 0.00 0.00 173.24 172.81 1bb6 h LEU 25 N -2.02 -0.38 -2.16 2.42 5.85 -1.89 -2.56 115.31 114.56 1bb6 h LEU 25 Ca -0.47 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1bb6 h LEU 25 Cb 1.28 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1bb6 h LEU 25 CO 0.43 -0.14 0.28 -0.65 -0.34 0.00 0.00 178.44 178.03 1bb6 h PRO 26 N 0.03 0.00 -0.15 5.25 0.11 -1.92 -1.79 132.00 133.54 1bb6 h PRO 26 Ca 0.24 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 1bb6 h PRO 26 Cb 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1bb6 h PRO 26 CO -0.48 0.00 -0.09 -0.91 -0.21 0.00 0.00 178.00 176.31 1bb6 h ASN 27 N 0.00 0.35 0.00 -2.05 2.35 -1.81 -1.16 115.58 113.27 1bb6 h ASN 27 Ca 0.09 -0.43 -0.13 0.00 -0.55 0.00 0.00 56.30 55.29 1bb6 h ASN 27 Cb 0.66 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1bb6 h ASN 27 CO -0.00 0.70 -0.40 -0.50 -1.65 0.00 0.00 177.43 175.58 1bb6 h TRP 28 N -0.01 0.60 -0.17 1.19 4.06 -1.43 -1.40 115.95 118.80 1bb6 h TRP 28 Ca 0.03 -0.17 -0.10 0.00 2.06 0.00 0.00 58.89 60.71 1bb6 h TRP 28 Cb 0.58 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1bb6 h TRP 28 CO 0.07 0.83 -0.29 0.28 -3.56 0.00 0.00 178.44 175.77 1bb6 h VAL 29 N 0.42 1.35 -0.40 1.49 2.07 -1.49 -2.19 116.25 117.49 1bb6 h VAL 29 Ca 0.04 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.06 1bb6 h VAL 29 Cb 0.88 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1bb6 h VAL 29 CO 0.07 0.46 0.23 0.00 0.02 0.00 0.00 177.57 178.35 1bb6 h LEU 31 N 0.47 0.39 -0.60 0.00 8.10 -1.26 -2.86 115.31 119.55 1bb6 h LEU 31 Ca 0.16 -0.17 -0.13 0.00 0.11 0.00 0.00 57.88 57.85 1bb6 h LEU 31 Cb 0.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.12 1bb6 h LEU 31 CO -0.08 0.77 -0.26 0.28 -4.11 0.00 0.00 178.44 175.04 1bb6 h SER 32 N 0.30 0.85 0.45 0.17 0.02 -1.07 0.31 113.55 114.58 1bb6 h SER 32 Ca 0.02 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1bb6 h SER 32 Cb 0.88 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1bb6 h SER 32 CO 0.07 1.07 -0.26 0.50 -1.14 0.00 0.00 176.83 177.07 1bb6 h LYS 33 N 0.71 -0.65 0.00 3.45 3.64 -1.06 -1.77 116.57 120.89 1bb6 h LYS 33 Ca 0.09 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1bb6 h LYS 33 Cb 0.80 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1bb6 h LYS 33 CO 0.07 -0.43 -0.23 -1.49 -2.27 0.00 0.00 179.45 175.10 1bb6 h TRP 34 N -0.67 0.00 0.11 1.91 4.06 -1.54 0.13 115.95 119.95 1bb6 h TRP 34 Ca -0.05 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.69 1bb6 h TRP 34 Cb 0.54 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1bb6 h TRP 34 CO -0.08 0.23 -1.00 0.93 -3.56 0.00 0.00 178.44 174.96 1bb6 h GLU 35 N 0.00 0.23 0.00 0.49 4.39 -0.91 -3.44 114.58 115.34 1bb6 h GLU 35 Ca -0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1bb6 h GLU 35 Cb 1.09 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1bb6 h GLU 35 CO 0.03 1.19 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1bb6 n SER 36 N -4.11 0.18 -2.60 1.42 3.41 -0.71 -4.88 113.62 106.33 1bb6 n SER 36 Ca -0.19 -0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 57.67 1bb6 n SER 36 Cb 0.81 0.18 0.05 0.00 -0.26 0.00 0.00 64.21 64.99 1bb6 n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bb6 n SER 37 N -0.18 -4.62 -1.84 4.04 7.64 0.03 -3.15 113.62 115.54 1bb6 n SER 37 Ca 0.00 -0.37 -0.19 0.00 1.01 0.00 0.00 58.87 59.32 1bb6 n SER 37 Cb 0.08 -3.58 -0.06 0.00 -1.01 0.00 0.00 64.21 59.65 1bb6 n SER 37 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bb6 n TYR 38 N -4.07 -0.43 -3.65 1.43 4.01 -1.18 -4.79 117.16 108.48 1bb6 n TYR 38 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.34 1bb6 n TYR 38 Cb 0.55 -3.43 -0.12 0.00 -0.31 0.00 0.00 39.34 36.03 1bb6 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bb6 s ASN 39 N -2.43 5.60 0.56 7.72 2.47 -1.19 -0.29 114.94 127.38 1bb6 s ASN 39 Ca 0.00 -0.40 0.33 0.00 0.42 0.00 0.00 52.86 53.20 1bb6 s ASN 39 Cb 0.00 -2.02 1.61 0.00 -1.45 0.00 0.00 41.25 39.39 1bb6 s ASN 39 CO 0.00 -0.16 2.10 0.71 -3.72 0.00 0.00 177.10 176.03 1bb6 h THR 40 N 5.59 0.30 -0.51 -5.21 1.35 -1.75 -2.91 112.91 109.77 1bb6 h THR 40 Ca -0.33 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1bb6 h THR 40 Cb 1.16 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1bb6 h THR 40 CO 0.60 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 1bb6 n GLN 41 N -3.36 3.33 -2.59 4.72 6.02 -1.26 -3.99 117.38 120.26 1bb6 n GLN 41 Ca -0.01 -2.30 -0.41 0.00 -0.01 0.00 0.00 57.00 54.26 1bb6 n GLN 41 Cb 0.23 -1.83 -0.04 0.00 1.02 0.00 0.00 30.24 29.62 1bb6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bb6 s ALA 42 N -1.89 3.34 0.03 -1.58 0.00 -1.10 -4.90 121.76 115.67 1bb6 s ALA 42 Ca 0.41 0.74 0.02 0.00 0.00 0.00 0.00 51.96 53.13 1bb6 s ALA 42 Cb 0.27 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1bb6 s ALA 42 CO 0.18 -0.11 -0.07 0.95 0.00 0.00 0.00 175.76 176.72 1bb6 s THR 43 N -0.38 0.45 -0.20 0.00 -4.23 -1.26 -0.94 115.64 109.08 1bb6 s THR 43 Ca 0.47 -0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1bb6 s THR 43 Cb -0.28 -0.50 0.10 0.00 1.34 0.00 0.00 72.50 73.16 1bb6 s THR 43 CO 0.34 -0.27 0.41 0.21 -0.54 0.00 0.00 174.62 174.77 1bb6 s ASN 44 N -1.19 -0.15 0.23 3.99 2.47 -0.78 -4.96 114.94 114.55 1bb6 s ASN 44 Ca -0.08 0.84 -0.25 0.00 0.42 0.00 0.00 52.86 53.79 1bb6 s ASN 44 Cb -0.08 1.29 -0.09 0.00 -1.45 0.00 0.00 41.25 40.92 1bb6 s ASN 44 CO 0.00 -0.24 0.83 -0.60 -3.72 0.00 0.00 177.10 173.37 1bb6 s ARG 45 N 2.60 4.54 0.34 0.43 6.06 -1.26 0.43 118.95 132.08 1bb6 s ARG 45 Ca 0.01 1.19 0.08 0.00 -2.50 0.00 0.00 55.73 54.51 1bb6 s ARG 45 Cb -0.13 -3.05 -0.03 0.00 0.06 0.00 0.00 34.95 31.80 1bb6 s ARG 45 CO -0.13 0.44 0.22 -0.80 -2.50 0.00 0.00 175.30 172.54 1bb6 s ASN 46 N -1.40 5.03 0.15 -2.12 -0.87 0.19 -4.96 114.94 110.95 1bb6 s ASN 46 Ca 0.42 -0.61 -0.17 0.00 -1.57 0.00 0.00 52.86 50.93 1bb6 s ASN 46 Cb -0.21 -0.87 0.05 0.00 -0.02 0.00 0.00 41.25 40.20 1bb6 s ASN 46 CO 0.25 -0.32 1.71 0.71 -2.57 0.00 0.00 177.10 176.88 1bb6 h THR 47 N 1.38 0.78 0.00 1.60 1.35 -1.98 -2.84 112.91 113.21 1bb6 h THR 47 Ca -0.44 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1bb6 h THR 47 Cb 1.25 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1bb6 h THR 47 CO 0.60 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 1bb6 n ASP 48 N -5.15 0.18 0.00 5.36 5.75 -1.26 -4.83 116.55 116.60 1bb6 n ASP 48 Ca 0.01 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 1bb6 n ASP 48 Cb 0.16 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1bb6 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bb6 n GLY 49 N 0.11 1.75 3.92 6.12 0.00 -1.07 -4.80 105.19 111.22 1bb6 n GLY 49 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1bb6 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bb6 s SER 50 N -3.26 5.93 0.05 1.61 1.04 -1.26 -4.53 113.70 113.28 1bb6 s SER 50 Ca 0.00 0.68 0.05 0.00 0.48 0.00 0.00 55.95 57.15 1bb6 s SER 50 Cb 0.00 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.22 1bb6 s SER 50 CO 0.00 -0.76 -0.14 -0.89 0.98 0.00 0.00 173.24 172.43 1bb6 s THR 51 N -2.76 1.10 -0.15 2.02 2.01 -1.26 0.53 115.64 117.13 1bb6 s THR 51 Ca 0.49 -1.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 1bb6 s THR 51 Cb -0.10 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1bb6 s THR 51 CO 0.43 -0.08 0.16 -1.81 -0.69 0.00 0.00 174.62 172.63 1bb6 s ASP 52 N -1.36 6.35 -0.08 3.53 1.01 0.17 -1.60 116.67 124.70 1bb6 s ASP 52 Ca 0.00 0.41 0.02 0.00 0.71 0.00 0.00 52.55 53.70 1bb6 s ASP 52 Cb -0.09 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.76 1bb6 s ASP 52 CO 0.02 0.30 -0.15 -0.31 0.21 0.00 0.00 175.17 175.24 1bb6 s TYR 53 N -0.41 1.70 0.00 4.23 1.51 -0.02 -1.87 117.35 122.49 1bb6 s TYR 53 Ca 0.13 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1bb6 s TYR 53 Cb -0.12 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 1bb6 s TYR 53 CO 0.02 -0.32 0.00 0.41 -1.11 0.00 0.00 175.55 174.55 1bb6 n GLY 54 N 3.82 -1.31 0.24 0.71 0.00 -0.12 -2.18 105.19 106.34 1bb6 n GLY 54 Ca -0.22 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 44.53 1bb6 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb6 h ILE 55 N 0.00 1.20 -0.02 -0.61 2.10 -1.71 -2.85 117.51 115.62 1bb6 h ILE 55 Ca 0.00 -0.88 0.00 0.00 1.08 0.00 0.00 64.86 65.06 1bb6 h ILE 55 Cb 0.00 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1bb6 h ILE 55 CO 0.00 0.27 -0.17 0.49 -1.08 0.00 0.00 178.15 177.66 1bb6 n PHE 56 N -4.24 0.00 -3.69 2.19 3.72 -1.26 -4.12 117.46 110.06 1bb6 n PHE 56 Ca -0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.12 1bb6 n PHE 56 Cb 0.30 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.85 1bb6 n PHE 56 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bb6 n GLN 57 N 0.60 -1.17 -2.72 -1.08 1.13 -1.07 -4.93 117.38 108.14 1bb6 n GLN 57 Ca 0.10 0.66 -0.42 0.00 -1.94 0.00 0.00 57.00 55.39 1bb6 n GLN 57 Cb 0.45 -3.49 -0.03 0.00 0.11 0.00 0.00 30.24 27.29 1bb6 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bb6 s ILE 58 N -3.24 4.83 0.21 5.09 1.01 -0.93 -4.49 121.20 123.67 1bb6 s ILE 58 Ca 0.25 2.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.60 1bb6 s ILE 58 Cb -0.10 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 1bb6 s ILE 58 CO 0.87 0.06 1.10 0.21 0.00 0.00 0.00 174.94 177.19 1bb6 s ASN 59 N 1.06 7.26 0.00 3.58 3.84 -1.26 -0.84 114.94 128.58 1bb6 s ASN 59 Ca 0.49 2.15 0.27 0.00 0.21 0.00 0.00 52.86 55.97 1bb6 s ASN 59 Cb -0.19 -2.61 1.25 0.00 -0.55 0.00 0.00 41.25 39.15 1bb6 s ASN 59 CO 0.21 -0.20 1.88 -1.54 -2.79 0.00 0.00 177.10 174.66 1bb6 n SER 60 N 2.05 0.00 0.05 -4.21 3.41 -0.63 -2.58 113.62 111.71 1bb6 n SER 60 Ca 0.02 0.17 -0.17 0.00 -0.26 0.00 0.00 58.87 58.63 1bb6 n SER 60 Cb 0.46 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1bb6 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bb6 h ARG 61 N 0.00 0.59 0.00 4.33 2.43 -1.85 -3.39 114.38 116.49 1bb6 h ARG 61 Ca 0.00 -0.61 -0.12 0.00 -0.81 0.00 0.00 59.98 58.45 1bb6 h ARG 61 Cb 0.34 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1bb6 h ARG 61 CO 0.00 1.22 -1.44 0.66 -1.51 0.00 0.00 179.97 178.90 1bb6 n TYR 62 N -3.82 0.00 -0.09 2.20 4.01 -1.24 -0.89 117.16 117.34 1bb6 n TYR 62 Ca -0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.55 1bb6 n TYR 62 Cb 0.84 -0.31 -0.15 0.00 -0.31 0.00 0.00 39.34 39.41 1bb6 n TYR 62 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1bb6 n TRP 63 N -2.48 0.17 -4.22 -0.72 7.02 -1.06 0.26 117.44 116.40 1bb6 n TRP 63 Ca -0.12 0.06 -0.13 0.00 -1.02 0.00 0.00 57.50 56.29 1bb6 n TRP 63 Cb 0.68 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.43 1bb6 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bb6 s ASP 65 N -3.16 5.43 0.00 0.00 2.15 0.03 -4.41 116.67 116.71 1bb6 s ASP 65 Ca 0.27 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1bb6 s ASP 65 Cb 0.07 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 1bb6 s ASP 65 CO 0.05 0.09 0.60 -0.90 -0.17 0.00 0.00 175.17 174.84 1bb6 n ASP 66 N 4.10 1.14 -0.07 -0.34 5.75 -1.26 -0.92 116.55 124.96 1bb6 n ASP 66 Ca -0.16 -1.31 -0.01 0.00 -0.01 0.00 0.00 54.79 53.30 1bb6 n ASP 66 Cb 0.52 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1bb6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bb6 n GLY 67 N -0.15 0.20 0.22 6.12 0.00 -1.26 -4.77 105.19 105.55 1bb6 n GLY 67 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1bb6 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bb6 n ARG 68 N -0.05 0.32 -3.82 1.61 -4.01 -1.26 -5.03 116.66 104.41 1bb6 n ARG 68 Ca -0.01 -0.94 -0.36 0.00 -1.04 0.00 0.00 57.85 55.50 1bb6 n ARG 68 Cb 0.40 -0.61 -0.12 0.00 -3.04 0.00 0.00 32.46 29.08 1bb6 n ARG 68 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1bb6 s THR 69 N -0.29 4.23 -0.03 8.89 2.01 -1.26 -4.87 115.64 124.32 1bb6 s THR 69 Ca 0.02 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1bb6 s THR 69 Cb 0.02 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1bb6 s THR 69 CO 0.00 0.36 1.27 -2.16 -0.69 0.00 0.00 174.62 173.41 1bb6 s PRO 70 N 1.45 4.33 -0.92 4.92 0.04 -1.26 -3.72 135.00 139.84 1bb6 s PRO 70 Ca 0.05 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 1bb6 s PRO 70 Cb -0.15 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 1bb6 s PRO 70 CO 0.03 -0.49 0.82 0.41 0.04 0.00 0.00 177.00 177.81 1bb6 n GLY 71 N 3.46 -1.11 3.85 0.56 0.00 -1.26 -5.03 105.19 105.66 1bb6 n GLY 71 Ca 0.12 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 1bb6 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb6 s ALA 72 N -3.27 3.77 -0.29 4.61 0.00 -1.24 -4.92 121.76 120.42 1bb6 s ALA 72 Ca 0.31 -0.98 0.13 0.00 0.00 0.00 0.00 51.96 51.43 1bb6 s ALA 72 Cb -0.04 -1.60 -0.18 0.00 0.00 0.00 0.00 23.12 21.30 1bb6 s ALA 72 CO 0.71 0.73 0.41 1.63 0.00 0.00 0.00 175.76 179.24 1bb6 n LYS 73 N 0.20 1.44 -3.88 0.00 5.02 -0.07 -5.00 118.16 115.87 1bb6 n LYS 73 Ca -0.07 -0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 1bb6 n LYS 73 Cb 0.52 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 1bb6 n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bb6 n ASN 74 N -1.67 -4.67 0.17 4.39 5.15 -0.82 -4.85 115.26 112.95 1bb6 n ASN 74 Ca -0.00 -1.08 0.04 0.00 -0.60 0.00 0.00 54.58 52.93 1bb6 n ASN 74 Cb 0.28 -1.83 0.23 0.00 -0.53 0.00 0.00 39.78 37.94 1bb6 n ASN 74 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1bb6 h VAL 75 N -1.25 0.99 0.00 3.44 2.07 -0.17 -3.02 116.25 118.30 1bb6 h VAL 75 Ca -0.65 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1bb6 h VAL 75 Cb 1.39 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1bb6 h VAL 75 CO 0.43 0.45 -0.07 0.00 0.02 0.00 0.00 177.57 178.40 1bb6 n GLY 77 N 1.33 -0.08 3.35 0.00 0.00 -1.14 -5.00 105.19 103.65 1bb6 n GLY 77 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1bb6 n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bb6 s ILE 78 N -3.11 0.76 0.23 -0.61 -4.36 -1.26 -5.06 121.20 107.78 1bb6 s ILE 78 Ca 0.32 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.51 1bb6 s ILE 78 Cb -0.14 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 40.85 1bb6 s ILE 78 CO 0.39 -0.05 0.73 -0.13 0.24 0.00 0.00 174.94 176.13 1bb6 s ARG 79 N -3.98 4.26 0.35 0.37 1.81 -1.26 -0.79 118.95 119.70 1bb6 s ARG 79 Ca 0.36 0.88 0.07 0.00 -1.72 0.00 0.00 55.73 55.32 1bb6 s ARG 79 Cb 0.08 -2.87 0.64 0.00 -0.45 0.00 0.00 34.95 32.35 1bb6 s ARG 79 CO 0.13 0.39 1.85 0.00 -0.68 0.00 0.00 175.30 176.99 1bb6 h SER 81 N 0.33 0.07 0.57 0.00 4.64 -1.93 0.48 113.55 117.70 1bb6 h SER 81 Ca 0.06 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1bb6 h SER 81 Cb 0.46 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1bb6 h SER 81 CO 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1bb6 n GLN 82 N -4.29 0.03 0.00 4.77 6.02 -0.99 -2.56 117.38 120.36 1bb6 n GLN 82 Ca 0.21 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 1bb6 n GLN 82 Cb 1.02 -1.55 0.30 0.00 1.02 0.00 0.00 30.24 31.03 1bb6 n GLN 82 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1bb6 n LEU 83 N -1.60 1.51 -0.87 1.08 4.77 0.16 -4.13 117.00 117.91 1bb6 n LEU 83 Ca 0.04 -0.48 0.10 0.00 -0.03 0.00 0.00 56.01 55.63 1bb6 n LEU 83 Cb 0.19 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1bb6 n LEU 83 CO 0.15 0.27 0.61 0.18 -1.33 0.00 0.00 177.39 177.27 1bb6 n LEU 84 N -0.17 2.90 -4.81 2.23 4.77 -1.06 -4.05 117.00 116.81 1bb6 n LEU 84 Ca 0.13 -1.29 -0.31 0.00 -0.03 0.00 0.00 56.01 54.51 1bb6 n LEU 84 Cb 0.40 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1bb6 n LEU 84 CO 0.23 0.58 0.71 0.42 -1.33 0.00 0.00 177.39 178.01 1bb6 s THR 85 N -1.44 3.84 0.29 -5.08 -4.23 -1.26 -4.04 115.64 103.72 1bb6 s THR 85 Ca 0.28 0.67 0.17 0.00 -1.18 0.00 0.00 61.69 61.62 1bb6 s THR 85 Cb 0.18 -3.31 0.12 0.00 1.34 0.00 0.00 72.50 70.83 1bb6 s THR 85 CO 0.25 -0.71 1.80 0.44 -0.54 0.00 0.00 174.62 175.86 1bb6 h ASP 86 N -0.47 0.00 -3.26 3.99 3.32 -1.93 -3.40 116.42 114.66 1bb6 h ASP 86 Ca -0.45 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 1bb6 h ASP 86 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1bb6 h ASP 86 CO 0.56 0.37 0.51 -0.62 -1.72 0.00 0.00 179.24 178.34 1bb6 s ASP 87 N -6.64 6.88 0.00 6.45 2.15 -1.26 -4.90 116.67 119.35 1bb6 s ASP 87 Ca -0.02 1.09 0.29 0.00 0.43 0.00 0.00 52.55 54.35 1bb6 s ASP 87 Cb 0.13 -2.45 1.32 0.00 -0.30 0.00 0.00 42.92 41.62 1bb6 s ASP 87 CO 0.70 -0.52 1.92 0.18 -0.17 0.00 0.00 175.17 177.27 1bb6 n LEU 88 N 5.98 0.29 -0.25 -1.34 4.32 -1.26 -4.54 117.00 120.20 1bb6 n LEU 88 Ca 0.06 0.11 0.04 0.00 -0.02 0.00 0.00 56.01 56.21 1bb6 n LEU 88 Cb 0.47 -0.22 0.14 0.00 -1.62 0.00 0.00 43.42 42.19 1bb6 n LEU 88 CO 0.48 0.06 0.81 0.74 -1.22 0.00 0.00 177.39 178.26 1bb6 h THR 89 N 0.34 0.35 -0.06 -5.08 2.02 -1.96 -0.02 112.91 108.50 1bb6 h THR 89 Ca 0.00 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 1bb6 h THR 89 Cb 0.33 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1bb6 h THR 89 CO 0.00 0.02 -0.58 0.58 0.37 0.00 0.00 175.52 175.91 1bb6 h VAL 90 N 0.09 1.38 -0.34 3.16 2.07 -1.86 -2.71 116.25 118.04 1bb6 h VAL 90 Ca 0.39 -1.94 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1bb6 h VAL 90 Cb 0.68 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1bb6 h VAL 90 CO -0.65 0.58 0.17 0.00 0.02 0.00 0.00 177.57 177.69 1bb6 h ALA 91 N 0.42 0.42 -0.20 1.67 0.00 -1.70 -0.94 119.26 118.93 1bb6 h ALA 91 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bb6 h ALA 91 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1bb6 h ALA 91 CO 0.12 -0.20 0.11 0.82 0.00 0.00 0.00 179.25 180.10 1bb6 h ILE 92 N 0.36 1.02 -0.88 0.00 2.04 -1.08 0.40 117.51 119.36 1bb6 h ILE 92 Ca 0.14 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1bb6 h ILE 92 Cb 0.05 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1bb6 h ILE 92 CO -0.10 0.04 0.58 -0.09 0.00 0.00 0.00 178.15 178.58 1bb6 h ARG 93 N 0.24 1.11 -0.08 2.37 2.43 -1.21 0.29 114.38 119.53 1bb6 h ARG 93 Ca 0.08 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1bb6 h ARG 93 Cb 0.00 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1bb6 h ARG 93 CO -0.04 0.73 -0.45 0.00 -1.51 0.00 0.00 179.97 178.70 1bb6 h ALA 95 N 0.44 1.44 -0.73 0.00 0.00 -0.74 0.69 119.26 120.37 1bb6 h ALA 95 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1bb6 h ALA 95 Cb 1.10 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1bb6 h ALA 95 CO 0.09 0.44 0.48 0.87 0.00 0.00 0.00 179.25 181.13 1bb6 h LYS 96 N 1.13 0.94 -0.23 0.00 1.57 -0.90 -2.12 116.57 116.95 1bb6 h LYS 96 Ca 0.39 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1bb6 h LYS 96 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1bb6 h LYS 96 CO -0.14 0.62 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.83 1bb6 h ARG 97 N 0.96 0.58 -0.30 3.15 9.65 -0.79 -3.20 114.38 124.44 1bb6 h ARG 97 Ca 0.27 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1bb6 h ARG 97 Cb -0.08 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1bb6 h ARG 97 CO -0.07 0.91 0.12 0.28 2.80 0.00 0.00 179.97 184.01 1bb6 h VAL 98 N 0.47 1.18 0.00 0.20 2.07 -0.43 -2.82 116.25 116.92 1bb6 h VAL 98 Ca 0.03 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1bb6 h VAL 98 Cb 0.96 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1bb6 h VAL 98 CO 0.09 0.19 0.00 1.33 0.02 0.00 0.00 177.57 179.19 1bb6 n VAL 99 N -4.74 0.37 0.19 2.57 0.24 -0.85 -2.57 118.33 113.54 1bb6 n VAL 99 Ca -0.02 0.09 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 1bb6 n VAL 99 Cb 0.13 -0.83 0.12 0.00 -1.47 0.00 0.00 33.84 31.80 1bb6 n VAL 99 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1bb6 h LEU 100 N 0.00 0.00-10.31 1.34 3.38 -1.55 -3.38 115.31 104.79 1bb6 h LEU 100 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1bb6 h LEU 100 Cb 0.10 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.00 1bb6 h LEU 100 CO 0.00 0.05 0.29 -1.81 0.09 0.00 0.00 178.44 177.06 1bb6 s ASP 101 N -6.07 4.06 0.30 -0.43 1.11 -1.06 -4.91 116.67 109.68 1bb6 s ASP 101 Ca 0.05 1.86 0.07 0.00 0.18 0.00 0.00 52.55 54.71 1bb6 s ASP 101 Cb 0.06 -2.50 0.78 0.00 1.07 0.00 0.00 42.92 42.33 1bb6 s ASP 101 CO 0.70 -2.32 1.75 -0.65 1.18 0.00 0.00 175.17 175.83 1bb6 h PRO 102 N -1.33 0.63 0.00 8.23 0.11 -1.89 -1.50 132.00 136.24 1bb6 h PRO 102 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bb6 h PRO 102 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1bb6 h PRO 102 CO 0.50 0.42 0.00 -0.91 -0.21 0.00 0.00 178.00 177.79 1bb6 h ASN 103 N 0.65 0.00 0.00 -2.05 2.35 -1.92 -3.48 115.58 111.13 1bb6 h ASN 103 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 1bb6 h ASN 103 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1bb6 h ASN 103 CO -0.43 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 175.96 1bb6 n GLY 104 N 0.12 3.14 0.16 2.83 0.00 -0.57 -2.00 105.19 108.87 1bb6 n GLY 104 Ca 0.02 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1bb6 n GLY 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb6 h ILE 105 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.47 117.51 118.62 1bb6 h ILE 105 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1bb6 h ILE 105 Cb 0.00 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.04 1bb6 h ILE 105 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 1bb6 n GLY 106 N -0.64 -0.66 0.18 8.18 0.00 -0.85 -2.90 105.19 108.50 1bb6 n GLY 106 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1bb6 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb6 h ALA 107 N 3.20 0.97 -2.43 4.61 0.00 -1.59 -3.42 119.26 120.61 1bb6 h ALA 107 Ca 0.00 -0.35 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 1bb6 h ALA 107 Cb 0.02 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.58 1bb6 h ALA 107 CO 0.00 0.48 -0.14 -1.58 0.00 0.00 0.00 179.25 178.01 1bb6 s TRP 108 N -3.56 3.17 0.22 0.00 0.51 -1.14 -4.98 118.94 113.15 1bb6 s TRP 108 Ca 0.00 -0.09 -0.09 0.00 -2.12 0.00 0.00 56.10 53.80 1bb6 s TRP 108 Cb 0.11 -2.90 0.17 0.00 -0.81 0.00 0.00 33.47 30.04 1bb6 s TRP 108 CO 0.69 -0.61 1.87 0.28 -0.51 0.00 0.00 176.95 178.67 1bb6 h VAL 109 N 5.66 1.22 -0.18 4.03 2.07 -1.89 -1.89 116.25 125.28 1bb6 h VAL 109 Ca -0.28 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1bb6 h VAL 109 Cb 1.12 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bb6 h VAL 109 CO 0.77 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 178.54 1bb6 h ALA 110 N 1.27 1.59 -0.08 1.67 0.00 -1.93 -1.87 119.26 119.90 1bb6 h ALA 110 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bb6 h ALA 110 Cb -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bb6 h ALA 110 CO -0.06 0.30 -0.06 2.35 0.00 0.00 0.00 179.25 181.78 1bb6 h TRP 111 N 0.26 0.22 -0.57 0.00 7.01 -1.68 -0.87 115.95 120.32 1bb6 h TRP 111 Ca 0.06 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1bb6 h TRP 111 Cb 0.26 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1bb6 h TRP 111 CO 0.00 0.60 0.32 0.00 -2.79 0.00 0.00 178.44 176.57 1bb6 h ARG 112 N -0.22 0.78 0.15 2.65 3.08 -1.13 0.12 114.38 119.81 1bb6 h ARG 112 Ca 0.01 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 1bb6 h ARG 112 Cb 0.55 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1bb6 h ARG 112 CO 0.02 0.57 -1.11 1.25 -1.07 0.00 0.00 179.97 179.63 1bb6 h LEU 113 N 0.79 0.48 0.00 3.04 6.46 -1.35 -3.39 115.31 121.35 1bb6 h LEU 113 Ca 0.20 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1bb6 h LEU 113 Cb 0.01 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1bb6 h LEU 113 CO -0.03 1.51 -0.43 1.41 -0.62 0.00 0.00 178.44 180.28 1bb6 n HIS 114 N -4.00 0.00 -0.06 1.25 8.25 -0.33 -4.82 115.22 115.51 1bb6 n HIS 114 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1bb6 n HIS 114 Cb 0.89 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.93 1bb6 n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bb6 n GLN 116 N -3.01 2.22 -3.49 0.00 7.27 0.31 -2.36 117.38 118.32 1bb6 n GLN 116 Ca -0.21 0.80 -0.22 0.00 0.07 0.00 0.00 57.00 57.44 1bb6 n GLN 116 Cb 0.70 -2.59 0.07 0.00 2.41 0.00 0.00 30.24 30.83 1bb6 n GLN 116 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1bb6 n ASN 117 N 3.94 -6.02 -4.34 1.69 3.02 -1.26 -4.94 115.26 107.35 1bb6 n ASN 117 Ca 0.18 -0.49 -0.17 0.00 -0.03 0.00 0.00 54.58 54.06 1bb6 n ASN 117 Cb 0.30 -4.65 -0.10 0.00 -0.61 0.00 0.00 39.78 34.72 1bb6 n ASN 117 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1bb6 s GLN 118 N -6.19 1.36 -0.39 3.52 -1.52 -1.00 -5.11 119.66 110.33 1bb6 s GLN 118 Ca 0.53 -1.69 -0.19 0.00 -1.95 0.00 0.00 55.36 52.06 1bb6 s GLN 118 Cb -0.23 -0.66 0.01 0.00 -0.22 0.00 0.00 33.01 31.91 1bb6 s GLN 118 CO 0.66 -0.09 0.58 0.34 -0.25 0.00 0.00 175.29 176.53 1bb6 s ASP 119 N -3.32 6.33 0.00 5.90 2.15 -1.26 -4.91 116.67 121.56 1bb6 s ASP 119 Ca 0.29 -0.18 0.21 0.00 0.43 0.00 0.00 52.55 53.30 1bb6 s ASP 119 Cb 0.06 -2.29 0.44 0.00 -0.30 0.00 0.00 42.92 40.82 1bb6 s ASP 119 CO 0.09 -0.63 1.38 0.18 -0.17 0.00 0.00 175.17 176.03 1bb6 n LEU 120 N 5.98 3.44 -0.31 -1.34 4.77 -1.26 -4.58 117.00 123.70 1bb6 n LEU 120 Ca -0.03 -1.62 0.14 0.00 -0.03 0.00 0.00 56.01 54.47 1bb6 n LEU 120 Cb 0.48 -0.28 0.32 0.00 -2.33 0.00 0.00 43.42 41.61 1bb6 n LEU 120 CO 0.49 0.77 1.05 -0.09 -1.33 0.00 0.00 177.39 178.29 1bb6 h ARG 121 N 4.10 0.40 0.00 3.23 1.12 -1.95 -0.34 114.38 120.93 1bb6 h ARG 121 Ca 0.00 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1bb6 h ARG 121 Cb 0.94 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.81 1bb6 h ARG 121 CO 0.00 0.26 -0.09 0.66 -3.11 0.00 0.00 179.97 177.69 1bb6 h SER 122 N 0.41 0.00 0.93 -3.80 4.64 -1.96 -2.31 113.55 111.46 1bb6 h SER 122 Ca 0.57 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.87 1bb6 h SER 122 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1bb6 h SER 122 CO -0.53 0.09 -0.08 1.88 -0.87 0.00 0.00 176.83 177.32 1bb6 h TYR 123 N 0.00 0.00 0.00 4.77 0.05 -1.40 -3.22 116.97 117.17 1bb6 h TYR 123 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1bb6 h TYR 123 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1bb6 h TYR 123 CO 0.00 0.08 -0.94 1.33 -1.05 0.00 0.00 178.16 177.58 1bb6 n VAL 124 N -3.23 0.00 -1.60 -2.88 0.24 -1.12 -4.85 118.33 104.89 1bb6 n VAL 124 Ca 0.00 -0.23 -0.50 0.00 -2.04 0.00 0.00 64.34 61.57 1bb6 n VAL 124 Cb 0.34 0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 33.25 1bb6 n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bb6 n ALA 125 N -1.52 -0.48 -0.96 2.33 0.00 -0.88 -1.17 120.51 117.82 1bb6 n ALA 125 Ca -0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1bb6 n ALA 125 Cb 0.15 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1bb6 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bb6 n GLY 126 N 2.53 0.81 0.16 0.00 0.00 -1.26 -4.91 105.19 102.52 1bb6 n GLY 126 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1bb6 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb6 n GLY 128 N 1.15 0.16 0.07 0.00 0.00 -1.26 -4.98 105.19 100.33 1bb6 n GLY 128 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1bb6 n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65