#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb3 s VAL 2 N 0.00 4.19 0.58 3.15 1.01 -1.26 -0.90 120.40 127.16 1bb3 s VAL 2 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1bb3 s VAL 2 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1bb3 s VAL 2 CO 0.00 -0.21 1.13 -0.36 0.00 0.00 0.00 175.10 175.66 1bb3 s PHE 3 N 1.48 2.63 0.27 5.22 0.40 -0.23 -4.99 117.98 122.75 1bb3 s PHE 3 Ca 0.00 1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 57.78 1bb3 s PHE 3 Cb -0.19 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 39.99 1bb3 s PHE 3 CO 0.05 -1.67 0.59 -1.83 0.70 0.00 0.00 175.22 173.07 1bb3 s GLU 4 N -3.52 3.79 0.02 0.44 4.04 -1.26 -4.86 118.70 117.35 1bb3 s GLU 4 Ca 0.71 0.29 -0.04 0.00 0.04 0.00 0.00 54.97 55.98 1bb3 s GLU 4 Cb -0.23 -2.59 -0.01 0.00 0.02 0.00 0.00 34.13 31.31 1bb3 s GLU 4 CO 0.32 0.24 1.06 -2.13 -1.84 0.00 0.00 175.26 172.91 1bb3 n ARG 5 N -0.43 -0.05 0.23 -4.83 0.63 -1.26 -1.85 116.66 109.09 1bb3 n ARG 5 Ca 0.01 1.06 0.07 0.00 -0.92 0.00 0.00 57.85 58.06 1bb3 n ARG 5 Cb 0.53 -1.58 0.56 0.00 0.45 0.00 0.00 32.46 32.41 1bb3 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bb3 h GLU 7 N 0.00 0.69 -0.39 0.00 4.81 -1.81 -1.01 114.58 116.87 1bb3 h GLU 7 Ca -0.00 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1bb3 h GLU 7 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1bb3 h GLU 7 CO 0.02 0.65 -0.09 1.25 -0.73 0.00 0.00 179.01 180.11 1bb3 h LEU 8 N 0.59 0.76 -0.44 1.64 5.85 -0.95 -2.10 115.31 120.66 1bb3 h LEU 8 Ca 0.15 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1bb3 h LEU 8 Cb 0.23 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1bb3 h LEU 8 CO -0.01 0.94 0.07 0.00 -0.34 0.00 0.00 178.44 179.11 1bb3 h ALA 9 N 0.84 0.47 -0.62 1.25 0.00 -1.07 0.50 119.26 120.63 1bb3 h ALA 9 Ca 0.10 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1bb3 h ALA 9 Cb 0.61 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1bb3 h ALA 9 CO 0.04 -0.33 0.14 0.00 0.00 0.00 0.00 179.25 179.10 1bb3 h ARG 10 N 0.20 0.98 -0.26 0.00 3.08 -1.08 -1.57 114.38 115.74 1bb3 h ARG 10 Ca 0.22 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1bb3 h ARG 10 Cb 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1bb3 h ARG 10 CO -0.30 0.88 0.04 1.15 -1.07 0.00 0.00 179.97 180.67 1bb3 h THR 11 N 0.93 1.23 -0.69 2.04 2.02 -0.62 -1.29 112.91 116.53 1bb3 h THR 11 Ca 0.20 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1bb3 h THR 11 Cb 0.35 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1bb3 h THR 11 CO 0.00 0.25 0.20 -0.07 0.37 0.00 0.00 175.52 176.28 1bb3 h LEU 12 N 0.23 1.00 -0.55 2.58 3.38 -0.81 -1.31 115.31 119.83 1bb3 h LEU 12 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1bb3 h LEU 12 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1bb3 h LEU 12 CO 0.01 0.93 0.16 0.50 0.09 0.00 0.00 178.44 180.13 1bb3 h LYS 13 N 1.02 0.86 -0.02 1.13 3.64 -1.15 -1.54 116.57 120.51 1bb3 h LYS 13 Ca 0.22 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1bb3 h LYS 13 Cb 0.30 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1bb3 h LYS 13 CO -0.01 0.79 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.73 1bb3 h ARG 14 N 0.77 0.04 -0.47 1.90 2.43 -0.81 -1.78 114.38 116.46 1bb3 h ARG 14 Ca 0.18 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1bb3 h ARG 14 Cb 0.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1bb3 h ARG 14 CO -0.00 0.18 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 1bb3 n LEU 15 N -4.35 2.24 -1.22 3.80 4.77 -0.53 -4.92 117.00 116.79 1bb3 n LEU 15 Ca -0.02 -1.12 -0.09 0.00 -0.03 0.00 0.00 56.01 54.75 1bb3 n LEU 15 Cb 0.22 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1bb3 n LEU 15 CO 0.36 0.46 -0.04 0.61 -1.33 0.00 0.00 177.39 177.46 1bb3 n GLY 16 N 0.87 0.14 0.08 -0.72 0.00 -0.67 -4.96 105.19 99.93 1bb3 n GLY 16 Ca 0.12 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1bb3 n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bb3 n MET 17 N -1.97 0.48 -2.03 1.61 2.81 -0.63 -4.45 117.12 112.94 1bb3 n MET 17 Ca -0.06 0.06 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1bb3 n MET 17 Cb 0.56 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 1bb3 n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1bb3 s ASP 18 N -4.75 5.46 0.00 7.83 2.15 -1.26 -1.86 116.67 124.24 1bb3 s ASP 18 Ca 0.01 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1bb3 s ASP 18 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1bb3 s ASP 18 CO 0.79 -2.17 0.00 0.61 -0.17 0.00 0.00 175.17 174.23 1bb3 n GLY 19 N 5.61 0.66 3.64 2.66 0.00 0.11 -4.88 105.19 112.99 1bb3 n GLY 19 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.75 1bb3 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bb3 n TYR 20 N -2.03 2.19 -3.14 1.61 9.36 -0.78 0.05 117.16 124.42 1bb3 n TYR 20 Ca 0.00 0.01 -0.23 0.00 3.32 0.00 0.00 57.90 61.00 1bb3 n TYR 20 Cb 0.00 -2.66 0.03 0.00 -0.63 0.00 0.00 39.34 36.08 1bb3 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bb3 n ARG 21 N 7.14 -4.83 -0.97 2.98 1.74 -1.26 -1.73 116.66 119.73 1bb3 n ARG 21 Ca 0.26 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1bb3 n ARG 21 Cb 0.30 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 26.08 1bb3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bb3 n GLY 22 N -1.49 0.92 3.64 -0.13 0.00 0.11 -5.01 105.19 103.23 1bb3 n GLY 22 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1bb3 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bb3 s ILE 23 N -3.76 5.19 0.79 -0.61 1.01 -0.71 -4.88 121.20 118.23 1bb3 s ILE 23 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 1bb3 s ILE 23 Cb 0.00 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1bb3 s ILE 23 CO 0.00 0.21 1.14 -0.94 0.00 0.00 0.00 174.94 175.35 1bb3 s SER 24 N 1.29 4.05 0.27 3.58 1.04 -1.26 -0.72 113.70 121.95 1bb3 s SER 24 Ca 0.17 2.08 -0.04 0.00 0.48 0.00 0.00 55.95 58.64 1bb3 s SER 24 Cb -0.15 -2.56 0.33 0.00 0.10 0.00 0.00 66.02 63.75 1bb3 s SER 24 CO 0.08 -2.35 1.93 0.25 0.98 0.00 0.00 173.24 174.14 1bb3 h LEU 25 N -0.98 1.08 -1.76 2.42 5.85 -1.90 -1.91 115.31 118.12 1bb3 h LEU 25 Ca -0.45 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1bb3 h LEU 25 Cb 1.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1bb3 h LEU 25 CO 0.48 0.77 0.10 0.00 -0.34 0.00 0.00 178.44 179.45 1bb3 h ALA 26 N 1.41 1.82 -0.07 1.25 0.00 -1.92 -0.27 119.26 121.49 1bb3 h ALA 26 Ca 0.36 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 1bb3 h ALA 26 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bb3 h ALA 26 CO -0.09 0.16 -0.74 -0.91 0.00 0.00 0.00 179.25 177.66 1bb3 h ASN 27 N 0.26 0.45 -0.24 0.00 4.21 -1.66 -0.48 115.58 118.11 1bb3 h ASN 27 Ca 0.07 -0.30 -0.16 0.00 1.21 0.00 0.00 56.30 57.12 1bb3 h ASN 27 Cb 0.02 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 1bb3 h ASN 27 CO -0.01 1.04 -0.43 -0.50 -1.29 0.00 0.00 177.43 176.24 1bb3 h TRP 28 N 0.25 0.96 -0.46 1.19 4.06 -1.09 -1.90 115.95 118.97 1bb3 h TRP 28 Ca -0.03 -0.30 -0.04 0.00 2.06 0.00 0.00 58.89 60.58 1bb3 h TRP 28 Cb 1.32 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 29.26 1bb3 h TRP 28 CO 0.04 1.08 0.14 0.52 -3.56 0.00 0.00 178.44 176.67 1bb3 h MET 29 N 0.64 0.71 -0.72 0.49 2.86 -0.96 -1.59 114.93 116.36 1bb3 h MET 29 Ca 0.04 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1bb3 h MET 29 Cb 1.00 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 1bb3 h MET 29 CO 0.10 0.69 0.43 0.00 1.06 0.00 0.00 176.91 179.18 1bb3 h LEU 31 N 1.00 -0.02 -0.93 0.00 5.85 -0.90 -2.55 115.31 117.75 1bb3 h LEU 31 Ca 0.26 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1bb3 h LEU 31 Cb -0.03 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1bb3 h LEU 31 CO -0.05 0.20 0.61 0.00 -0.34 0.00 0.00 178.44 178.86 1bb3 h ALA 32 N 0.74 1.22 0.18 1.25 0.00 -0.96 -0.73 119.26 120.96 1bb3 h ALA 32 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bb3 h ALA 32 Cb 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1bb3 h ALA 32 CO 0.00 0.51 -0.09 -0.22 0.00 0.00 0.00 179.25 179.46 1bb3 h LYS 33 N 1.20 -0.24 0.00 0.00 3.11 -1.10 -1.47 116.57 118.08 1bb3 h LYS 33 Ca 0.36 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1bb3 h LYS 33 Cb -0.05 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1bb3 h LYS 33 CO -0.11 -0.10 0.00 -1.49 -2.81 0.00 0.00 179.45 174.95 1bb3 h TRP 34 N -0.32 0.00 0.12 1.91 4.06 -1.35 -0.99 115.95 119.38 1bb3 h TRP 34 Ca -0.03 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.60 1bb3 h TRP 34 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1bb3 h TRP 34 CO -0.04 0.00 -1.73 0.93 -3.56 0.00 0.00 178.44 174.04 1bb3 h GLU 35 N 0.00 0.26 0.00 0.49 4.39 -1.05 -3.44 114.58 115.23 1bb3 h GLU 35 Ca 0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1bb3 h GLU 35 Cb 0.76 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1bb3 h GLU 35 CO 0.00 1.22 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1bb3 n SER 36 N -3.71 0.02 -1.68 1.42 3.41 -0.60 -4.84 113.62 107.63 1bb3 n SER 36 Ca -0.29 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.54 1bb3 n SER 36 Cb 0.98 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.95 1bb3 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bb3 n GLY 37 N 0.01 -0.12 2.37 5.00 0.00 -0.38 -2.62 105.19 109.45 1bb3 n GLY 37 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1bb3 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bb3 n TYR 38 N -4.02 -0.45 -3.62 1.61 4.01 -1.17 -4.81 117.16 108.71 1bb3 n TYR 38 Ca -0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.23 1bb3 n TYR 38 Cb 0.60 -3.07 -0.11 0.00 -0.31 0.00 0.00 39.34 36.45 1bb3 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bb3 s ASN 39 N -2.50 5.69 0.39 7.72 2.47 -1.08 -1.07 114.94 126.56 1bb3 s ASN 39 Ca 0.00 -0.60 0.28 0.00 0.42 0.00 0.00 52.86 52.97 1bb3 s ASN 39 Cb 0.00 -2.04 1.20 0.00 -1.45 0.00 0.00 41.25 38.97 1bb3 s ASN 39 CO 0.00 -0.24 1.84 0.71 -3.72 0.00 0.00 177.10 175.69 1bb3 h THR 40 N 5.66 0.00 -0.05 -5.21 1.35 -1.34 -2.85 112.91 110.48 1bb3 h THR 40 Ca -0.31 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1bb3 h THR 40 Cb 1.14 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1bb3 h THR 40 CO 0.63 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.44 1bb3 n ARG 41 N -2.59 2.09 -1.92 4.72 1.74 -1.26 -4.11 116.66 115.33 1bb3 n ARG 41 Ca 0.01 -1.59 -0.41 0.00 -0.77 0.00 0.00 57.85 55.09 1bb3 n ARG 41 Cb 0.24 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1bb3 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb3 s ALA 42 N -1.97 3.66 -0.01 7.54 0.00 -1.08 -4.79 121.76 125.11 1bb3 s ALA 42 Ca 0.32 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1bb3 s ALA 42 Cb 0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1bb3 s ALA 42 CO 0.31 -0.84 0.02 0.95 0.00 0.00 0.00 175.76 176.20 1bb3 s THR 43 N -0.12 0.01 -0.17 0.00 -4.23 -1.26 -0.36 115.64 109.52 1bb3 s THR 43 Ca 0.60 -0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 1bb3 s THR 43 Cb -0.44 -0.06 0.05 0.00 1.34 0.00 0.00 72.50 73.38 1bb3 s THR 43 CO 0.46 -0.05 -0.01 0.21 -0.54 0.00 0.00 174.62 174.70 1bb3 s ASN 44 N -0.13 2.72 -0.11 3.99 2.47 0.03 -4.94 114.94 118.97 1bb3 s ASN 44 Ca -0.02 -0.66 -0.21 0.00 0.42 0.00 0.00 52.86 52.39 1bb3 s ASN 44 Cb -0.01 -0.73 -0.04 0.00 -1.45 0.00 0.00 41.25 39.02 1bb3 s ASN 44 CO -0.00 -0.23 0.60 -0.47 -3.72 0.00 0.00 177.10 173.28 1bb3 s TYR 45 N 1.76 3.52 -0.43 0.43 5.04 -1.26 -0.19 117.35 126.21 1bb3 s TYR 45 Ca 0.00 1.05 -0.08 0.00 -2.44 0.00 0.00 57.07 55.60 1bb3 s TYR 45 Cb -0.16 -2.71 0.09 0.00 0.35 0.00 0.00 41.96 39.54 1bb3 s TYR 45 CO -0.07 0.07 0.27 -0.80 -1.34 0.00 0.00 175.55 173.68 1bb3 s ASN 46 N 0.80 5.61 0.60 4.32 0.01 0.69 -4.95 114.94 122.02 1bb3 s ASN 46 Ca 0.32 -1.66 0.34 0.00 -0.71 0.00 0.00 52.86 51.15 1bb3 s ASN 46 Cb -0.16 -1.98 1.95 0.00 0.41 0.00 0.00 41.25 41.48 1bb3 s ASN 46 CO 0.14 -0.58 2.26 0.00 -1.51 0.00 0.00 177.10 177.41 1bb3 h ALA 47 N 8.38 1.30 0.64 0.60 0.00 -1.95 0.14 119.26 128.38 1bb3 h ALA 47 Ca -0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1bb3 h ALA 47 Cb 1.08 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1bb3 h ALA 47 CO 0.78 0.02 -0.31 0.78 0.00 0.00 0.00 179.25 180.52 1bb3 h GLY 48 N 0.21 -0.90 -1.52 0.00 0.00 -1.94 -3.28 103.07 95.64 1bb3 h GLY 48 Ca -0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1bb3 h GLY 48 CO 0.00 -0.33 0.00 2.09 0.00 0.00 0.00 176.54 178.30 1bb3 n ASP 49 N -5.45 2.78 -1.56 0.19 5.75 -1.17 -4.97 116.55 112.12 1bb3 n ASP 49 Ca -0.13 -1.82 -0.17 0.00 -0.01 0.00 0.00 54.79 52.66 1bb3 n ASP 49 Cb 0.36 -0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.25 1bb3 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1bb3 n ARG 50 N 0.91 -1.25 -3.90 0.11 1.74 0.49 -4.69 116.66 110.06 1bb3 n ARG 50 Ca 0.13 0.98 -0.21 0.00 -0.77 0.00 0.00 57.85 57.98 1bb3 n ARG 50 Cb 0.44 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 26.56 1bb3 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bb3 s SER 51 N -2.58 5.65 -0.00 0.55 1.04 -1.13 -4.44 113.70 112.79 1bb3 s SER 51 Ca 0.00 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.21 1bb3 s SER 51 Cb 0.00 -1.32 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 1bb3 s SER 51 CO 0.00 -0.20 -0.13 -0.89 0.98 0.00 0.00 173.24 173.00 1bb3 s THR 52 N -2.17 1.06 -0.18 2.02 2.01 -1.26 -0.22 115.64 116.89 1bb3 s THR 52 Ca 0.37 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 1bb3 s THR 52 Cb -0.08 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1bb3 s THR 52 CO 0.27 0.25 0.25 -1.81 -0.69 0.00 0.00 174.62 172.89 1bb3 s ASP 53 N -0.45 6.35 -0.01 3.53 1.01 0.73 -1.16 116.67 126.66 1bb3 s ASP 53 Ca 0.05 0.40 0.05 0.00 0.71 0.00 0.00 52.55 53.75 1bb3 s ASP 53 Cb -0.06 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 1bb3 s ASP 53 CO -0.00 0.09 -0.15 -0.31 0.21 0.00 0.00 175.17 175.01 1bb3 s TYR 54 N 0.62 2.68 0.01 4.23 1.51 0.17 -0.79 117.35 125.78 1bb3 s TYR 54 Ca 0.14 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1bb3 s TYR 54 Cb -0.13 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1bb3 s TYR 54 CO 0.03 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.11 1bb3 n GLY 55 N 1.96 -1.73 0.34 0.71 0.00 0.52 -1.36 105.19 105.63 1bb3 n GLY 55 Ca -0.17 -1.29 0.15 0.00 0.00 0.00 0.00 46.02 44.72 1bb3 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb3 h ILE 56 N -0.03 0.84 -0.09 -0.61 2.10 -1.69 -1.45 117.51 116.58 1bb3 h ILE 56 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1bb3 h ILE 56 Cb 0.03 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1bb3 h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1bb3 n PHE 57 N -4.44 0.10 -3.57 2.19 3.72 -1.26 -4.07 117.46 110.13 1bb3 n PHE 57 Ca 0.05 -0.07 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 1bb3 n PHE 57 Cb 0.41 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.99 1bb3 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bb3 n GLN 58 N 0.98 -1.41 -2.98 -1.08 1.13 -0.55 -4.94 117.38 108.53 1bb3 n GLN 58 Ca 0.11 0.62 -0.40 0.00 -1.94 0.00 0.00 57.00 55.39 1bb3 n GLN 58 Cb 0.44 -4.44 -0.04 0.00 0.11 0.00 0.00 30.24 26.31 1bb3 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bb3 s ILE 59 N -3.39 4.98 0.17 5.09 1.01 -0.47 -4.50 121.20 124.08 1bb3 s ILE 59 Ca 0.42 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 1bb3 s ILE 59 Cb -0.13 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 1bb3 s ILE 59 CO 0.83 0.25 1.10 0.21 0.00 0.00 0.00 174.94 177.34 1bb3 s ASN 60 N 0.72 7.26 0.00 3.58 3.84 -1.26 -0.66 114.94 128.42 1bb3 s ASN 60 Ca 0.40 2.08 0.22 0.00 0.21 0.00 0.00 52.86 55.77 1bb3 s ASN 60 Cb -0.19 -2.60 1.03 0.00 -0.55 0.00 0.00 41.25 38.94 1bb3 s ASN 60 CO 0.20 -0.23 1.71 -1.54 -2.79 0.00 0.00 177.10 174.45 1bb3 n SER 61 N 2.47 0.00 0.05 -4.21 3.41 -0.31 -1.93 113.62 113.10 1bb3 n SER 61 Ca 0.03 0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1bb3 n SER 61 Cb 0.46 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1bb3 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bb3 h ARG 62 N 0.00 0.14 0.00 4.33 2.43 -1.84 -3.41 114.38 116.03 1bb3 h ARG 62 Ca 0.00 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 1bb3 h ARG 62 Cb 0.29 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1bb3 h ARG 62 CO 0.00 1.00 -1.40 0.66 -1.51 0.00 0.00 179.97 178.72 1bb3 n TYR 63 N -3.37 0.00 -0.09 2.20 4.01 -1.20 -0.99 117.16 117.72 1bb3 n TYR 63 Ca -0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.48 1bb3 n TYR 63 Cb 1.01 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.68 1bb3 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1bb3 n TRP 64 N -2.28 0.00 -4.40 -0.72 7.02 -0.81 -0.77 117.44 115.48 1bb3 n TRP 64 Ca -0.10 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.18 1bb3 n TRP 64 Cb 0.68 -0.70 -0.10 0.00 -2.42 0.00 0.00 31.31 28.77 1bb3 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bb3 s ASN 66 N -3.40 5.45 0.00 0.00 3.04 -0.28 -4.45 114.94 115.29 1bb3 s ASN 66 Ca 0.26 -0.05 0.01 0.00 0.04 0.00 0.00 52.86 53.12 1bb3 s ASN 66 Cb -0.01 -1.96 0.02 0.00 -1.54 0.00 0.00 41.25 37.77 1bb3 s ASN 66 CO 0.10 0.06 0.72 -0.90 -3.04 0.00 0.00 177.10 174.04 1bb3 n ASP 67 N 4.27 1.47 0.00 -4.21 5.75 -1.26 -1.17 116.55 121.40 1bb3 n ASP 67 Ca -0.16 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1bb3 n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1bb3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bb3 n GLY 68 N -0.07 0.18 0.00 6.12 0.00 -1.26 -4.79 105.19 105.36 1bb3 n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bb3 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bb3 n LYS 69 N -0.56 -0.38 -4.76 1.61 5.02 -1.26 -5.03 118.16 112.79 1bb3 n LYS 69 Ca 0.00 -0.40 -0.33 0.00 -2.02 0.00 0.00 58.31 55.56 1bb3 n LYS 69 Cb 0.28 -0.90 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 1bb3 n LYS 69 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bb3 s THR 70 N -0.06 3.08 0.41 -0.18 -4.23 -1.26 -4.93 115.64 108.47 1bb3 s THR 70 Ca 0.00 -0.65 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1bb3 s THR 70 Cb 0.00 -2.30 -0.08 0.00 1.34 0.00 0.00 72.50 71.46 1bb3 s THR 70 CO 0.00 0.52 1.26 -2.16 -0.54 0.00 0.00 174.62 173.70 1bb3 s PRO 71 N 0.35 3.98 -1.15 3.99 0.04 -1.26 -3.34 135.00 137.61 1bb3 s PRO 71 Ca -0.11 2.05 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1bb3 s PRO 71 Cb -0.16 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1bb3 s PRO 71 CO 0.06 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1bb3 n GLY 72 N 0.67 0.20 3.75 0.56 0.00 -1.26 -4.96 105.19 104.15 1bb3 n GLY 72 Ca 0.04 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1bb3 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb3 s ALA 73 N -2.59 3.48 -0.13 4.61 0.00 -1.21 -4.82 121.76 121.09 1bb3 s ALA 73 Ca 0.00 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.18 1bb3 s ALA 73 Cb 0.00 -3.43 -0.21 0.00 0.00 0.00 0.00 23.12 19.47 1bb3 s ALA 73 CO 0.00 -0.45 0.13 0.28 0.00 0.00 0.00 175.76 175.72 1bb3 n VAL 74 N 1.86 0.86 -3.78 0.00 0.31 -0.16 -5.01 118.33 112.41 1bb3 n VAL 74 Ca 0.03 -0.62 -0.24 0.00 -0.01 0.00 0.00 64.34 63.50 1bb3 n VAL 74 Cb 0.43 -0.42 0.02 0.00 -0.91 0.00 0.00 33.84 32.96 1bb3 n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1bb3 n ASN 75 N -2.49 -1.63 0.29 4.52 5.15 -1.17 -4.87 115.26 115.07 1bb3 n ASN 75 Ca -0.21 -0.92 0.15 0.00 -0.60 0.00 0.00 54.58 53.00 1bb3 n ASN 75 Cb 0.90 -3.60 0.89 0.00 -0.53 0.00 0.00 39.78 37.44 1bb3 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bb3 h ALA 76 N 0.82 1.36 -0.00 5.20 0.00 -0.84 -0.85 119.26 124.95 1bb3 h ALA 76 Ca -0.63 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1bb3 h ALA 76 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1bb3 h ALA 76 CO 0.57 0.05 -0.31 0.00 0.00 0.00 0.00 179.25 179.56 1bb3 n HIS 78 N -1.29 -1.93 -3.78 0.00 -0.00 -0.33 -4.99 115.22 102.91 1bb3 n HIS 78 Ca 0.08 0.77 -0.13 0.00 -0.00 0.00 0.00 57.72 58.45 1bb3 n HIS 78 Cb 0.33 -4.17 -0.12 0.00 -0.00 0.00 0.00 29.99 26.03 1bb3 n HIS 78 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1bb3 s LEU 79 N -6.57 1.03 0.28 2.41 0.20 -1.26 -5.07 118.68 109.69 1bb3 s LEU 79 Ca 0.11 0.46 -0.29 0.00 0.69 0.00 0.00 54.13 55.10 1bb3 s LEU 79 Cb -0.03 0.76 -0.10 0.00 -0.43 0.00 0.00 46.19 46.39 1bb3 s LEU 79 CO 0.82 -0.09 1.19 -0.55 -0.29 0.00 0.00 176.35 177.42 1bb3 s SER 80 N 0.30 7.08 0.60 3.68 0.15 -1.26 -1.13 113.70 123.12 1bb3 s SER 80 Ca -0.01 2.39 0.32 0.00 0.70 0.00 0.00 55.95 59.35 1bb3 s SER 80 Cb -0.03 -2.63 1.90 0.00 -1.71 0.00 0.00 66.02 63.55 1bb3 s SER 80 CO -0.01 -0.31 2.26 0.00 1.20 0.00 0.00 173.24 176.38 1bb3 h SER 82 N 0.00 0.00 0.85 0.00 4.64 -1.90 -0.78 113.55 116.35 1bb3 h SER 82 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1bb3 h SER 82 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1bb3 h SER 82 CO -0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1bb3 n ALA 83 N -2.21 1.77 0.94 5.18 0.00 -0.80 -2.01 120.51 123.38 1bb3 n ALA 83 Ca -0.02 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1bb3 n ALA 83 Cb 0.19 -1.40 0.30 0.00 0.00 0.00 0.00 19.45 18.53 1bb3 n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bb3 n LEU 84 N -2.21 2.08 -0.50 0.00 4.77 -0.30 -3.82 117.00 117.01 1bb3 n LEU 84 Ca 0.03 -0.93 0.07 0.00 -0.03 0.00 0.00 56.01 55.15 1bb3 n LEU 84 Cb 0.26 -0.18 0.19 0.00 -2.33 0.00 0.00 43.42 41.36 1bb3 n LEU 84 CO 0.21 0.46 0.57 0.18 -1.33 0.00 0.00 177.39 177.49 1bb3 n LEU 85 N 0.60 2.99 -4.94 2.23 4.77 -0.85 -3.57 117.00 118.24 1bb3 n LEU 85 Ca 0.16 -3.34 -0.24 0.00 -0.03 0.00 0.00 56.01 52.56 1bb3 n LEU 85 Cb 0.37 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1bb3 n LEU 85 CO 0.12 0.92 0.23 -1.10 -1.33 0.00 0.00 177.39 176.24 1bb3 s GLN 86 N -3.00 3.41 0.22 3.23 -0.21 -1.25 -4.68 119.66 117.39 1bb3 s GLN 86 Ca 0.37 -0.29 0.05 0.00 0.02 0.00 0.00 55.36 55.51 1bb3 s GLN 86 Cb 0.33 -2.60 0.19 0.00 1.00 0.00 0.00 33.01 31.93 1bb3 s GLN 86 CO 0.02 0.01 1.52 -0.44 -2.12 0.00 0.00 175.29 174.28 1bb3 h ASP 87 N 0.60 0.23 -3.46 5.90 3.32 -1.94 -3.40 116.42 117.67 1bb3 h ASP 87 Ca -0.49 -0.15 -0.61 0.00 0.02 0.00 0.00 57.03 55.81 1bb3 h ASP 87 Cb 1.22 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 1bb3 h ASP 87 CO 0.61 0.84 0.40 0.21 -1.72 0.00 0.00 179.24 179.57 1bb3 s ASN 88 N -6.89 6.64 -0.03 6.45 3.84 -1.26 -4.94 114.94 118.73 1bb3 s ASN 88 Ca -0.03 0.59 0.10 0.00 0.21 0.00 0.00 52.86 53.73 1bb3 s ASN 88 Cb 0.12 -2.41 0.36 0.00 -0.55 0.00 0.00 41.25 38.77 1bb3 s ASN 88 CO 0.80 -0.65 1.24 2.30 -2.79 0.00 0.00 177.10 178.00 1bb3 n ILE 89 N 5.61 0.75 -0.09 -5.21 -5.35 -1.26 -4.44 119.36 109.38 1bb3 n ILE 89 Ca 0.04 -0.56 -0.06 0.00 -0.27 0.00 0.00 62.75 61.89 1bb3 n ILE 89 Cb 0.48 0.08 -0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1bb3 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bb3 h ALA 90 N 3.51 0.20 -0.62 -1.28 0.00 -1.94 -0.30 119.26 118.83 1bb3 h ALA 90 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1bb3 h ALA 90 Cb 0.71 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1bb3 h ALA 90 CO 0.07 -0.46 0.31 -0.44 0.00 0.00 0.00 179.25 178.72 1bb3 h ASP 91 N -0.00 0.80 -0.61 0.00 5.19 -1.86 -2.31 116.42 117.62 1bb3 h ASP 91 Ca 0.15 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1bb3 h ASP 91 Cb 0.23 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 1bb3 h ASP 91 CO -0.32 0.69 0.35 0.00 -3.12 0.00 0.00 179.24 176.84 1bb3 h ALA 92 N 1.14 0.78 -0.54 3.45 0.00 -1.66 -2.49 119.26 119.93 1bb3 h ALA 92 Ca 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1bb3 h ALA 92 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1bb3 h ALA 92 CO -0.03 0.29 0.07 0.28 0.00 0.00 0.00 179.25 179.86 1bb3 h VAL 93 N 0.83 1.24 -0.30 0.00 2.07 -0.84 0.15 116.25 119.41 1bb3 h VAL 93 Ca 0.22 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1bb3 h VAL 93 Cb 0.02 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1bb3 h VAL 93 CO -0.04 0.34 -0.06 0.00 0.02 0.00 0.00 177.57 177.84 1bb3 h ALA 94 N 1.25 1.35 0.10 1.67 0.00 -1.11 -1.25 119.26 121.26 1bb3 h ALA 94 Ca 0.17 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 1bb3 h ALA 94 Cb 0.39 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.07 1bb3 h ALA 94 CO 0.01 0.44 -1.21 0.00 0.00 0.00 0.00 179.25 178.50 1bb3 h LEU 96 N 0.28 0.58 -1.78 0.00 5.85 -0.66 0.91 115.31 120.49 1bb3 h LEU 96 Ca -0.18 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1bb3 h LEU 96 Cb 1.88 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1bb3 h LEU 96 CO 0.23 0.37 0.19 0.11 -0.34 0.00 0.00 178.44 179.00 1bb3 h LYS 97 N 0.71 0.29 0.07 1.25 1.57 -1.27 -1.59 116.57 117.60 1bb3 h LYS 97 Ca 0.32 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.83 1bb3 h LYS 97 Cb 0.21 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.48 1bb3 h LYS 97 CO -0.19 0.19 -1.01 -0.09 -0.57 0.00 0.00 179.45 177.77 1bb3 h ARG 98 N 0.30 0.57 -0.63 3.15 9.65 -1.05 -3.27 114.38 123.10 1bb3 h ARG 98 Ca 0.11 -0.70 0.05 0.00 -1.10 0.00 0.00 59.98 58.34 1bb3 h ARG 98 Cb 0.08 0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 1bb3 h ARG 98 CO -0.02 1.30 0.34 0.28 2.80 0.00 0.00 179.97 184.67 1bb3 h VAL 99 N 0.16 0.97 0.00 0.20 2.07 0.00 -2.12 116.25 117.53 1bb3 h VAL 99 Ca -0.15 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1bb3 h VAL 99 Cb 1.71 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1bb3 h VAL 99 CO 0.20 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.23 1bb3 n VAL 100 N -4.81 0.13 1.73 2.57 0.24 -0.69 -2.80 118.33 114.70 1bb3 n VAL 100 Ca 0.07 0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.56 1bb3 n VAL 100 Cb 0.16 -0.62 0.78 0.00 -1.47 0.00 0.00 33.84 32.69 1bb3 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1bb3 n ARG 101 N -1.19 1.04 -2.34 7.34 1.74 -0.80 -4.12 116.66 118.33 1bb3 n ARG 101 Ca 0.15 -0.25 -0.28 0.00 -0.77 0.00 0.00 57.85 56.69 1bb3 n ARG 101 Cb 0.17 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1bb3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bb3 s ASP 102 N -2.13 6.11 0.29 0.55 1.11 -1.12 -4.97 116.67 116.51 1bb3 s ASP 102 Ca 0.41 1.05 -0.01 0.00 0.18 0.00 0.00 52.55 54.17 1bb3 s ASP 102 Cb 0.21 -2.21 0.65 0.00 1.07 0.00 0.00 42.92 42.63 1bb3 s ASP 102 CO 0.39 -0.77 1.59 -0.65 1.18 0.00 0.00 175.17 176.91 1bb3 h PRO 103 N -0.03 0.04 0.00 8.23 0.11 -1.90 -1.32 132.00 137.12 1bb3 h PRO 103 Ca -0.46 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1bb3 h PRO 103 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1bb3 h PRO 103 CO 0.62 0.02 -0.30 1.96 -0.21 0.00 0.00 178.00 180.09 1bb3 h GLN 104 N 0.04 0.00 0.00 1.05 4.20 -1.93 -3.49 115.11 114.98 1bb3 h GLN 104 Ca 0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1bb3 h GLN 104 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1bb3 h GLN 104 CO -0.87 0.30 0.00 0.41 -0.67 0.00 0.00 178.83 178.00 1bb3 n GLY 105 N -0.01 2.24 0.10 3.46 0.00 -0.50 -1.95 105.19 108.52 1bb3 n GLY 105 Ca -0.01 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1bb3 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bb3 n ILE 106 N 0.00 1.04 1.22 -0.61 3.06 -1.26 -2.37 119.36 120.44 1bb3 n ILE 106 Ca 0.00 0.37 0.10 0.00 -2.50 0.00 0.00 62.75 60.72 1bb3 n ILE 106 Cb 0.00 -1.29 0.59 0.00 0.54 0.00 0.00 39.64 39.48 1bb3 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bb3 n ARG 107 N -2.00 0.59 0.19 9.51 1.74 -0.82 -3.06 116.66 122.80 1bb3 n ARG 107 Ca 0.01 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1bb3 n ARG 107 Cb 0.15 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.49 1bb3 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb3 h ALA 108 N 3.22 1.49 -2.32 7.54 0.00 -1.63 -3.41 119.26 124.14 1bb3 h ALA 108 Ca 0.00 -0.28 -0.61 0.00 0.00 0.00 0.00 54.91 54.02 1bb3 h ALA 108 Cb 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 1bb3 h ALA 108 CO 0.00 0.39 0.25 -1.58 0.00 0.00 0.00 179.25 178.30 1bb3 s TRP 109 N -4.37 3.20 0.26 0.00 0.51 -1.17 -4.95 118.94 112.41 1bb3 s TRP 109 Ca -0.03 0.63 -0.05 0.00 -2.12 0.00 0.00 56.10 54.53 1bb3 s TRP 109 Cb 0.15 -3.11 0.31 0.00 -0.81 0.00 0.00 33.47 30.01 1bb3 s TRP 109 CO 0.72 -0.54 1.92 0.28 -0.51 0.00 0.00 176.95 178.82 1bb3 h VAL 110 N 5.59 1.24 -0.62 4.03 2.07 -1.91 -2.28 116.25 124.38 1bb3 h VAL 110 Ca -0.26 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1bb3 h VAL 110 Cb 1.11 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1bb3 h VAL 110 CO 0.84 0.25 0.30 0.00 0.02 0.00 0.00 177.57 178.98 1bb3 h ALA 111 N 1.39 1.38 -0.32 1.67 0.00 -1.94 0.31 119.26 121.74 1bb3 h ALA 111 Ca 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1bb3 h ALA 111 Cb -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1bb3 h ALA 111 CO -0.07 0.49 -0.08 2.35 0.00 0.00 0.00 179.25 181.94 1bb3 h TRP 112 N 0.86 0.70 -0.71 0.00 7.01 -1.78 0.14 115.95 122.18 1bb3 h TRP 112 Ca 0.22 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1bb3 h TRP 112 Cb 0.08 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 1bb3 h TRP 112 CO 0.01 0.80 0.46 0.00 -2.79 0.00 0.00 178.44 176.92 1bb3 h ARG 113 N 0.40 0.91 0.01 2.65 3.08 -0.90 0.35 114.38 120.87 1bb3 h ARG 113 Ca 0.08 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 1bb3 h ARG 113 Cb 0.58 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1bb3 h ARG 113 CO 0.03 0.60 -0.93 -0.91 -1.07 0.00 0.00 179.97 177.70 1bb3 h ASN 114 N 0.94 0.38 -0.00 7.04 -0.26 -0.77 -3.34 115.58 119.56 1bb3 h ASN 114 Ca 0.27 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1bb3 h ASN 114 Cb -0.07 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1bb3 h ASN 114 CO -0.07 1.12 -0.34 0.54 -1.06 0.00 0.00 177.43 177.62 1bb3 n ARG 115 N -3.68 4.54 0.00 0.81 1.74 0.49 -4.87 116.66 115.68 1bb3 n ARG 115 Ca -0.05 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1bb3 n ARG 115 Cb 0.83 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 1bb3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb3 n GLN 117 N -2.84 1.16 -0.91 0.00 7.27 -0.44 -1.68 117.38 119.93 1bb3 n GLN 117 Ca 0.00 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1bb3 n GLN 117 Cb 0.48 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 31.06 1bb3 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1bb3 n ASN 118 N 2.83 -4.15 -4.84 1.69 5.03 -1.26 -4.97 115.26 109.60 1bb3 n ASN 118 Ca 0.19 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.43 1bb3 n ASN 118 Cb 0.19 -2.63 -0.04 0.00 -1.02 0.00 0.00 39.78 36.28 1bb3 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1bb3 s ARG 119 N -1.38 2.66 -0.13 3.52 0.52 -0.68 -5.06 118.95 118.40 1bb3 s ARG 119 Ca 0.00 -1.35 -0.29 0.00 -0.52 0.00 0.00 55.73 53.57 1bb3 s ARG 119 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 1bb3 s ARG 119 CO 0.00 0.08 1.43 0.34 0.02 0.00 0.00 175.30 177.17 1bb3 s ASP 120 N -3.98 6.80 -0.08 0.23 -1.08 -1.26 -4.85 116.67 112.45 1bb3 s ASP 120 Ca 0.41 1.87 0.11 0.00 -0.52 0.00 0.00 52.55 54.42 1bb3 s ASP 120 Cb -0.05 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 39.04 1bb3 s ASP 120 CO 0.26 -0.87 1.07 1.33 0.52 0.00 0.00 175.17 177.49 1bb3 n VAL 121 N 5.51 1.45 0.28 1.11 0.24 -1.26 -4.72 118.33 120.94 1bb3 n VAL 121 Ca 0.15 -1.67 0.14 0.00 -2.04 0.00 0.00 64.34 60.93 1bb3 n VAL 121 Cb 0.44 0.08 0.83 0.00 -1.47 0.00 0.00 33.84 33.72 1bb3 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1bb3 h ARG 122 N 0.00 0.00 -0.38 7.34 3.08 -1.93 -2.83 114.38 119.67 1bb3 h ARG 122 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bb3 h ARG 122 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1bb3 h ARG 122 CO 0.00 0.06 0.25 -0.56 -1.07 0.00 0.00 179.97 178.65 1bb3 h GLN 123 N 0.00 0.50 0.00 0.04 3.07 -1.98 -2.85 115.11 113.90 1bb3 h GLN 123 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1bb3 h GLN 123 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1bb3 h GLN 123 CO 0.01 0.34 0.00 1.88 0.09 0.00 0.00 178.83 181.15 1bb3 h TYR 124 N 0.52 0.00 0.00 0.06 0.05 -1.84 -3.01 116.97 112.75 1bb3 h TYR 124 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1bb3 h TYR 124 Cb -0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1bb3 h TYR 124 CO 0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1bb3 n VAL 125 N -2.91 0.38 -1.94 -2.88 0.24 -1.10 -4.83 118.33 105.30 1bb3 n VAL 125 Ca -0.01 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.34 61.21 1bb3 n VAL 125 Cb 0.18 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 1bb3 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1bb3 s GLN 126 N -0.38 4.21 0.00 7.34 -0.21 -1.09 -2.59 119.66 126.93 1bb3 s GLN 126 Ca 0.00 2.32 0.00 0.00 0.02 0.00 0.00 55.36 57.70 1bb3 s GLN 126 Cb 0.00 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.51 1bb3 s GLN 126 CO 0.00 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 1bb3 n GLY 127 N 3.93 0.53 0.28 3.09 0.00 -1.26 -4.90 105.19 106.86 1bb3 n GLY 127 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1bb3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb3 n GLY 129 N 1.39 -0.47 0.34 0.00 0.00 -1.26 -4.92 105.19 100.28 1bb3 n GLY 129 Ca 0.10 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1bb3 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65