#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 4.01 0.50 3.15 1.01 -1.26 -1.49 120.40 126.32 1bb3 s VAL 2 Ca 0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 1bb3 s VAL 2 Cb 0.00 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1bb3 s VAL 2 CO 0.00 -0.30 1.17 -0.36 0.00 0.00 0.00 175.10 175.60 1bb3 s PHE 3 N 1.42 2.74 0.21 5.22 0.40 -0.56 -5.00 117.98 122.41 1bb3 s PHE 3 Ca 0.01 1.53 -0.18 0.00 -0.60 0.00 0.00 56.93 57.68 1bb3 s PHE 3 Cb -0.21 -3.38 -0.08 0.00 0.51 0.00 0.00 43.02 39.87 1bb3 s PHE 3 CO 0.03 -1.65 0.69 -2.00 0.70 0.00 0.00 175.22 172.98 1bb3 s GLU 4 N -2.96 4.18 0.09 0.44 2.56 -1.26 -4.87 118.70 116.87 1bb3 s GLU 4 Ca 0.68 0.78 -0.17 0.00 0.00 0.00 0.00 54.97 56.26 1bb3 s GLU 4 Cb -0.28 -2.87 -0.04 0.00 2.00 0.00 0.00 34.13 32.94 1bb3 s GLU 4 CO 0.32 0.40 1.29 -0.09 -0.56 0.00 0.00 175.26 176.63 1bb3 h ARG 5 N 3.39 -0.01 0.00 4.30 2.43 -1.97 -0.81 114.38 121.72 1bb3 h ARG 5 Ca -0.48 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1bb3 h ARG 5 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1bb3 h ARG 5 CO 0.65 -0.01 -0.17 0.00 -1.51 0.00 0.00 179.97 178.93 1bb3 h GLU 7 N 0.00 0.96 -0.19 0.00 4.81 -1.59 -1.95 114.58 116.62 1bb3 h GLU 7 Ca -0.00 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 58.74 1bb3 h GLU 7 Cb 0.44 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1bb3 h GLU 7 CO 0.02 1.02 -0.42 1.25 -0.73 0.00 0.00 179.01 180.16 1bb3 h LEU 8 N 0.85 0.70 -0.40 1.64 5.85 -0.80 -2.46 115.31 120.70 1bb3 h LEU 8 Ca 0.13 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.36 1bb3 h LEU 8 Cb 0.68 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1bb3 h LEU 8 CO 0.05 1.13 0.05 0.00 -0.34 0.00 0.00 178.44 179.33 1bb3 h ALA 9 N 0.59 0.41 -0.41 1.25 0.00 -1.24 0.14 119.26 119.99 1bb3 h ALA 9 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1bb3 h ALA 9 Cb 1.02 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1bb3 h ALA 9 CO 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 179.25 178.96 1bb3 h ARG 10 N 0.17 0.68 -0.21 0.00 3.08 -1.38 -1.21 114.38 115.50 1bb3 h ARG 10 Ca 0.19 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1bb3 h ARG 10 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1bb3 h ARG 10 CO -0.28 0.72 -0.09 1.15 -1.07 0.00 0.00 179.97 180.39 1bb3 h THR 11 N 0.64 1.30 -0.71 2.04 2.02 -0.82 -1.81 112.91 115.57 1bb3 h THR 11 Ca 0.13 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 1bb3 h THR 11 Cb 0.44 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1bb3 h THR 11 CO 0.02 0.35 0.21 -0.07 0.37 0.00 0.00 175.52 176.40 1bb3 h LEU 12 N 0.15 1.04 -0.37 2.58 3.38 -0.61 -1.40 115.31 120.08 1bb3 h LEU 12 Ca 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1bb3 h LEU 12 Cb 0.58 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1bb3 h LEU 12 CO 0.03 0.97 0.05 0.50 0.09 0.00 0.00 178.44 180.08 1bb3 h LYS 13 N 1.06 0.61 0.00 1.13 3.64 -1.19 -1.36 116.57 120.46 1bb3 h LYS 13 Ca 0.23 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1bb3 h LYS 13 Cb 0.31 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1bb3 h LYS 13 CO -0.01 0.68 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.69 1bb3 h ARG 14 N 0.45 0.00 -0.33 1.90 2.43 -1.03 -0.60 114.38 117.19 1bb3 h ARG 14 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1bb3 h ARG 14 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1bb3 h ARG 14 CO 0.01 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1bb3 n LEU 15 N -4.36 1.79 -1.10 3.80 4.77 -0.55 -4.93 117.00 116.42 1bb3 n LEU 15 Ca -0.03 -0.89 -0.07 0.00 -0.03 0.00 0.00 56.01 54.99 1bb3 n LEU 15 Cb 0.16 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1bb3 n LEU 15 CO 0.34 0.45 -0.01 0.61 -1.33 0.00 0.00 177.39 177.45 1bb3 n GLY 16 N 1.03 0.28 0.09 -0.72 0.00 -0.23 -4.97 105.19 100.67 1bb3 n GLY 16 Ca 0.11 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.77 0.62 -1.92 1.61 2.81 -0.55 -4.47 117.12 113.44 1bb3 n MET 17 Ca -0.04 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 1bb3 n MET 17 Cb 0.54 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 31.27 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 -5.22 5.67 0.00 7.83 2.15 -1.26 -1.69 116.67 124.14 1bb3 s ASP 18 Ca -0.03 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1bb3 s ASP 18 Cb 0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1bb3 s ASP 18 CO 0.82 -1.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 1bb3 n GLY 19 N 5.54 0.75 3.68 2.66 0.00 0.93 -4.87 105.19 113.86 1bb3 n GLY 19 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.44 -2.62 1.61 9.36 -0.68 -0.43 117.16 124.84 1bb3 n TYR 20 Ca 0.00 -0.13 -0.19 0.00 3.32 0.00 0.00 57.90 60.90 1bb3 n TYR 20 Cb 0.00 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.00 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 6.45 -2.62 -0.78 2.98 5.12 -1.26 -1.53 116.66 125.00 1bb3 n ARG 21 Ca 0.20 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 1bb3 n ARG 21 Cb 0.35 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.14 1bb3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bb3 n GLY 22 N -1.06 1.15 3.69 -0.13 0.00 0.43 -5.02 105.19 104.23 1bb3 n GLY 22 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.67 5.17 0.74 -0.61 -1.09 -0.58 -4.87 121.20 116.28 1bb3 s ILE 23 Ca 0.00 0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 1bb3 s ILE 23 Cb 0.00 -3.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1bb3 s ILE 23 CO 0.00 0.26 1.10 -0.94 -1.23 0.00 0.00 174.94 174.13 1bb3 s SER 24 N 0.93 4.67 0.21 3.58 1.04 -1.26 -0.05 113.70 122.81 1bb3 s SER 24 Ca 0.22 1.90 -0.09 0.00 0.48 0.00 0.00 55.95 58.46 1bb3 s SER 24 Cb -0.15 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.68 1bb3 s SER 24 CO 0.09 -1.92 1.80 0.25 0.98 0.00 0.00 173.24 174.44 1bb3 h LEU 25 N -0.72 0.54 -2.06 2.42 6.46 -1.90 -2.01 115.31 118.04 1bb3 h LEU 25 Ca -0.45 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 1bb3 h LEU 25 Cb 1.24 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1bb3 h LEU 25 CO 0.52 0.35 0.06 0.00 -0.62 0.00 0.00 178.44 178.75 1bb3 h ALA 26 N 1.35 2.02 -0.05 1.25 0.00 -1.92 -0.44 119.26 121.47 1bb3 h ALA 26 Ca 0.30 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1bb3 h ALA 26 Cb 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bb3 h ALA 26 CO -0.19 -0.11 -0.83 -0.91 0.00 0.00 0.00 179.25 177.21 1bb3 h ASN 27 N 0.00 0.53 -0.08 0.00 2.35 -1.69 -0.67 115.58 116.03 1bb3 h ASN 27 Ca 0.04 -0.39 -0.14 0.00 -0.55 0.00 0.00 56.30 55.26 1bb3 h ASN 27 Cb 0.17 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1bb3 h ASN 27 CO -0.00 1.16 -0.44 -0.50 -1.65 0.00 0.00 177.43 176.00 1bb3 h TRP 28 N 0.27 0.76 -0.48 1.19 -0.00 -1.17 -1.82 115.95 114.70 1bb3 h TRP 28 Ca -0.06 -0.23 -0.04 0.00 -0.00 0.00 0.00 58.89 58.56 1bb3 h TRP 28 Cb 1.44 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 30.43 1bb3 h TRP 28 CO 0.05 0.96 0.14 0.52 -0.00 0.00 0.00 178.44 180.11 1bb3 h MET 29 N 0.51 0.74 -0.68 0.49 2.86 -1.00 -1.61 114.93 116.24 1bb3 h MET 29 Ca 0.04 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1bb3 h MET 29 Cb 0.97 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1bb3 h MET 29 CO 0.09 0.71 0.22 0.00 1.06 0.00 0.00 176.91 178.98 1bb3 h LEU 31 N 1.00 0.13 -0.82 0.00 5.85 -1.05 -2.66 115.31 117.76 1bb3 h LEU 31 Ca 0.22 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1bb3 h LEU 31 Cb 0.28 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1bb3 h LEU 31 CO -0.01 0.26 0.52 0.00 -0.34 0.00 0.00 178.44 178.87 1bb3 h ALA 32 N 0.88 1.04 -0.03 1.25 0.00 -1.07 -0.73 119.26 120.60 1bb3 h ALA 32 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bb3 h ALA 32 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bb3 h ALA 32 CO -0.00 0.48 -0.03 -0.22 0.00 0.00 0.00 179.25 179.47 1bb3 h LYS 33 N 1.12 -0.04 0.00 0.00 1.63 -1.15 -0.92 116.57 117.21 1bb3 h LYS 33 Ca 0.30 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 1bb3 h LYS 33 Cb -0.09 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1bb3 h LYS 33 CO -0.06 -0.03 -0.19 -1.49 -3.45 0.00 0.00 179.45 174.23 1bb3 h TRP 34 N -0.04 0.00 0.13 1.91 4.06 -1.38 -0.22 115.95 120.41 1bb3 h TRP 34 Ca 0.03 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.67 1bb3 h TRP 34 Cb 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1bb3 h TRP 34 CO -0.12 0.19 -1.46 0.93 -3.56 0.00 0.00 178.44 174.42 1bb3 h GLU 35 N 0.00 0.28 0.00 0.49 4.39 -0.99 -3.43 114.58 115.31 1bb3 h GLU 35 Ca -0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1bb3 h GLU 35 Cb 1.08 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1bb3 h GLU 35 CO 0.03 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 1bb3 n SER 36 N -3.49 0.00 -0.41 1.42 3.41 -0.38 -4.81 113.62 109.36 1bb3 n SER 36 Ca -0.15 -0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.15 1bb3 n SER 36 Cb 1.04 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.97 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 0.00 0.79 2.13 5.00 0.00 -0.09 -2.49 105.19 110.53 1bb3 n GLY 37 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.83 -0.06 -3.59 1.61 4.01 -1.21 -4.81 117.16 110.28 1bb3 n TYR 38 Ca -0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.30 1bb3 n TYR 38 Cb 0.18 -1.33 -0.11 0.00 -0.31 0.00 0.00 39.34 37.77 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 -2.91 5.97 0.34 7.72 3.84 -1.04 -1.49 114.94 127.37 1bb3 s ASN 39 Ca 0.00 -0.12 0.26 0.00 0.21 0.00 0.00 52.86 53.22 1bb3 s ASN 39 Cb 0.00 -2.11 1.13 0.00 -0.55 0.00 0.00 41.25 39.72 1bb3 s ASN 39 CO 0.00 -0.09 1.79 0.71 -2.79 0.00 0.00 177.10 176.72 1bb3 h THR 40 N 5.41 0.00 -0.55 -5.21 1.35 -1.59 -2.94 112.91 109.38 1bb3 h THR 40 Ca -0.34 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1bb3 h THR 40 Cb 1.18 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1bb3 h THR 40 CO 0.57 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.38 1bb3 n ARG 41 N -2.46 2.48 -2.01 4.72 1.74 -1.26 -4.04 116.66 115.82 1bb3 n ARG 41 Ca 0.01 -2.27 -0.38 0.00 -0.77 0.00 0.00 57.85 54.44 1bb3 n ARG 41 Cb 0.23 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.27 2.96 0.02 7.54 0.00 -1.11 -4.83 121.76 125.06 1bb3 s ALA 42 Ca 0.42 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 1bb3 s ALA 42 Cb 0.23 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1bb3 s ALA 42 CO 0.30 -1.00 0.26 0.95 0.00 0.00 0.00 175.76 176.28 1bb3 s THR 43 N -1.39 0.08 -0.17 0.00 -4.23 -1.26 -1.33 115.64 107.33 1bb3 s THR 43 Ca 0.66 -0.65 -0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1bb3 s THR 43 Cb -0.35 -0.75 0.08 0.00 1.34 0.00 0.00 72.50 72.82 1bb3 s THR 43 CO 0.43 -0.36 0.37 0.21 -0.54 0.00 0.00 174.62 174.73 1bb3 s ASN 44 N -1.71 -0.05 -0.02 3.99 3.04 -0.86 -4.97 114.94 114.36 1bb3 s ASN 44 Ca -0.09 0.86 -0.20 0.00 0.04 0.00 0.00 52.86 53.47 1bb3 s ASN 44 Cb -0.03 1.13 -0.05 0.00 -1.54 0.00 0.00 41.25 40.75 1bb3 s ASN 44 CO 0.00 -0.23 0.57 -0.47 -3.04 0.00 0.00 177.10 173.92 1bb3 s TYR 45 N 2.54 3.67 -0.44 0.43 5.04 -1.26 -0.59 117.35 126.73 1bb3 s TYR 45 Ca -0.01 1.15 -0.06 0.00 -2.44 0.00 0.00 57.07 55.70 1bb3 s TYR 45 Cb -0.12 -2.58 0.11 0.00 0.35 0.00 0.00 41.96 39.72 1bb3 s TYR 45 CO -0.11 0.35 0.27 -0.80 -1.34 0.00 0.00 175.55 173.92 1bb3 s ASN 46 N -0.16 5.49 0.40 4.32 0.01 0.25 -4.95 114.94 120.30 1bb3 s ASN 46 Ca 0.30 -1.92 0.10 0.00 -0.71 0.00 0.00 52.86 50.64 1bb3 s ASN 46 Cb -0.18 -1.92 0.90 0.00 0.41 0.00 0.00 41.25 40.46 1bb3 s ASN 46 CO 0.16 -0.61 1.95 0.00 -1.51 0.00 0.00 177.10 177.09 1bb3 h ALA 47 N 8.27 1.89 -0.07 0.60 0.00 -1.96 0.11 119.26 128.10 1bb3 h ALA 47 Ca -0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bb3 h ALA 47 Cb 1.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bb3 h ALA 47 CO 0.78 -0.04 -0.08 0.78 0.00 0.00 0.00 179.25 180.69 1bb3 h GLY 48 N 0.57 -1.93 -2.13 0.00 0.00 -1.95 -3.11 103.07 94.53 1bb3 h GLY 48 Ca 0.32 0.87 0.00 0.00 0.00 0.00 0.00 47.33 48.53 1bb3 h GLY 48 CO -0.11 -0.70 0.00 2.09 0.00 0.00 0.00 176.54 177.82 1bb3 n ASP 49 N -3.12 3.92 -3.10 0.19 5.75 -1.20 -4.97 116.55 114.02 1bb3 n ASP 49 Ca -0.00 -2.39 -0.23 0.00 -0.01 0.00 0.00 54.79 52.16 1bb3 n ASP 49 Cb 0.05 -0.45 0.03 0.00 -1.03 0.00 0.00 41.12 39.71 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 0.61 -4.76 -3.85 0.11 3.00 0.01 -4.67 116.66 107.11 1bb3 n ARG 50 Ca 0.20 0.84 -0.23 0.00 -0.01 0.00 0.00 57.85 58.65 1bb3 n ARG 50 Cb 0.72 -5.68 -0.04 0.00 0.00 0.00 0.00 32.46 27.45 1bb3 n ARG 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1bb3 s SER 51 N -2.72 4.73 0.01 0.55 1.04 -1.13 -4.54 113.70 111.63 1bb3 s SER 51 Ca 0.33 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.81 1bb3 s SER 51 Cb -0.15 -0.37 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 1bb3 s SER 51 CO 0.41 -0.68 -0.06 -0.89 0.98 0.00 0.00 173.24 172.99 1bb3 s THR 52 N -2.57 0.45 -0.15 2.02 2.01 -1.26 -0.58 115.64 115.54 1bb3 s THR 52 Ca 0.43 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 1bb3 s THR 52 Cb -0.00 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1bb3 s THR 52 CO 0.25 -0.06 0.21 -1.81 -0.69 0.00 0.00 174.62 172.52 1bb3 s ASP 53 N -0.64 6.38 0.00 3.53 1.01 0.24 -0.93 116.67 126.26 1bb3 s ASP 53 Ca -0.02 0.44 0.08 0.00 0.71 0.00 0.00 52.55 53.75 1bb3 s ASP 53 Cb -0.05 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1bb3 s ASP 53 CO 0.00 0.21 -0.25 -0.31 0.21 0.00 0.00 175.17 175.03 1bb3 s TYR 54 N 0.01 2.18 0.01 4.23 1.51 0.07 -2.04 117.35 123.32 1bb3 s TYR 54 Ca 0.14 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1bb3 s TYR 54 Cb -0.12 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 1bb3 s TYR 54 CO 0.03 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 1bb3 n GLY 55 N 2.23 -1.96 0.35 0.71 0.00 -0.44 -1.46 105.19 104.61 1bb3 n GLY 55 Ca -0.16 -1.38 0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 0.70 -0.01 -0.61 2.10 -1.68 -1.67 117.51 116.30 1bb3 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1bb3 h ILE 56 Cb 0.03 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1bb3 h ILE 56 CO 0.00 0.00 -0.22 0.49 -1.08 0.00 0.00 178.15 177.34 1bb3 n PHE 57 N -4.23 0.00 -3.36 2.19 3.72 -1.26 -4.08 117.46 110.43 1bb3 n PHE 57 Ca 0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 1bb3 n PHE 57 Cb 0.43 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.10 -1.77 -3.01 -1.08 1.13 -0.63 -4.96 117.38 107.16 1bb3 n GLN 58 Ca 0.07 0.85 -0.40 0.00 -1.94 0.00 0.00 57.00 55.57 1bb3 n GLN 58 Cb 0.32 -5.20 -0.04 0.00 0.11 0.00 0.00 30.24 25.43 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 -3.33 5.02 0.30 5.09 1.01 -0.54 -4.50 121.20 124.26 1bb3 s ILE 59 Ca 0.37 1.50 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 1bb3 s ILE 59 Cb -0.08 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 1bb3 s ILE 59 CO 0.78 0.23 1.13 0.21 0.00 0.00 0.00 174.94 177.30 1bb3 s ASN 60 N 0.84 7.14 0.00 3.58 3.84 -1.26 -0.76 114.94 128.32 1bb3 s ASN 60 Ca 0.39 2.33 0.30 0.00 0.21 0.00 0.00 52.86 56.09 1bb3 s ASN 60 Cb -0.18 -2.63 1.55 0.00 -0.55 0.00 0.00 41.25 39.45 1bb3 s ASN 60 CO 0.19 -0.24 2.06 -1.54 -2.79 0.00 0.00 177.10 174.78 1bb3 n SER 61 N 1.04 0.00 0.08 -4.21 3.41 -0.11 -2.38 113.62 111.45 1bb3 n SER 61 Ca -0.01 -0.24 -0.22 0.00 -0.26 0.00 0.00 58.87 58.15 1bb3 n SER 61 Cb 0.44 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.38 0.00 4.33 9.65 -1.84 -3.41 114.38 123.49 1bb3 h ARG 62 Ca 0.00 -0.66 -0.06 0.00 -1.10 0.00 0.00 59.98 58.17 1bb3 h ARG 62 Cb 0.25 0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1bb3 h ARG 62 CO 0.00 1.31 -1.40 0.66 2.80 0.00 0.00 179.97 183.35 1bb3 n TYR 63 N -3.95 0.00 -0.11 2.20 4.01 -1.25 -0.74 117.16 117.32 1bb3 n TYR 63 Ca -0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 1bb3 n TYR 63 Cb 0.94 -0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 39.64 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 -1.98 0.00 -4.43 -0.72 7.02 -1.00 -0.43 117.44 115.90 1bb3 n TRP 64 Ca -0.06 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.19 1bb3 n TRP 64 Cb 0.43 -0.78 -0.10 0.00 -2.42 0.00 0.00 31.31 28.43 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 -3.21 6.11 0.00 0.00 2.47 0.13 -4.43 114.94 116.01 1bb3 s ASN 66 Ca 0.25 0.11 0.08 0.00 0.42 0.00 0.00 52.86 53.72 1bb3 s ASN 66 Cb -0.05 -2.15 0.20 0.00 -1.45 0.00 0.00 41.25 37.80 1bb3 s ASN 66 CO 0.12 -0.07 1.13 -0.90 -3.72 0.00 0.00 177.10 173.65 1bb3 n ASP 67 N 5.01 2.54 0.00 -4.21 5.75 -1.26 -1.21 116.55 123.16 1bb3 n ASP 67 Ca -0.12 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1bb3 n ASP 67 Cb 0.52 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.27 0.34 0.25 6.12 0.00 -1.26 -4.73 105.19 106.18 1bb3 n GLY 68 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1bb3 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bb3 n LYS 69 N -1.97 0.55 -3.97 1.61 2.85 -1.26 -5.04 118.16 110.92 1bb3 n LYS 69 Ca 0.00 -1.25 -0.35 0.00 -1.05 0.00 0.00 58.31 55.65 1bb3 n LYS 69 Cb 0.01 -0.75 -0.12 0.00 -0.65 0.00 0.00 35.03 33.51 1bb3 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1bb3 s THR 70 N -0.68 4.18 0.27 0.58 2.01 -1.26 -4.95 115.64 115.78 1bb3 s THR 70 Ca 0.06 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1bb3 s THR 70 Cb 0.06 -2.91 -0.10 0.00 0.01 0.00 0.00 72.50 69.56 1bb3 s THR 70 CO 0.01 0.41 1.42 -2.16 -0.69 0.00 0.00 174.62 173.60 1bb3 s PRO 71 N 1.10 4.27 -1.32 4.92 0.04 -1.26 -2.99 135.00 139.75 1bb3 s PRO 71 Ca 0.03 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1bb3 s PRO 71 Cb -0.14 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1bb3 s PRO 71 CO 0.02 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1bb3 n GLY 72 N 1.89 0.63 3.73 0.56 0.00 -1.26 -4.97 105.19 105.78 1bb3 n GLY 72 Ca 0.05 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1bb3 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb3 n ALA 73 N -0.18 1.65 -0.07 4.61 0.00 -1.16 -4.87 120.51 120.49 1bb3 n ALA 73 Ca -0.15 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1bb3 n ALA 73 Cb 0.54 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 1bb3 n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bb3 n VAL 74 N -0.23 0.91 -3.52 0.00 0.31 0.08 -5.00 118.33 110.88 1bb3 n VAL 74 Ca 0.06 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.69 1bb3 n VAL 74 Cb 0.41 -0.77 0.06 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.62 -3.41 0.28 4.52 5.15 -1.18 -4.88 115.26 113.13 1bb3 n ASN 75 Ca -0.23 -0.78 0.15 0.00 -0.60 0.00 0.00 54.58 53.12 1bb3 n ASN 75 Cb 0.89 -4.49 0.83 0.00 -0.53 0.00 0.00 39.78 36.48 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 0.62 1.21 -0.00 5.20 0.00 -0.58 -1.94 119.26 123.77 1bb3 h ALA 76 Ca -0.61 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1bb3 h ALA 76 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1bb3 h ALA 76 CO 0.50 0.09 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 1bb3 n HIS 78 N -1.26 -1.89 -4.03 0.00 -0.00 -0.73 -4.97 115.22 102.33 1bb3 n HIS 78 Ca 0.07 0.83 -0.10 0.00 -0.00 0.00 0.00 57.72 58.52 1bb3 n HIS 78 Cb 0.34 -4.26 -0.11 0.00 -0.00 0.00 0.00 29.99 25.96 1bb3 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1bb3 s LEU 79 N -6.77 2.30 0.09 2.41 1.43 -1.26 -5.06 118.68 111.81 1bb3 s LEU 79 Ca 0.05 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 1bb3 s LEU 79 Cb -0.03 0.05 -0.06 0.00 0.03 0.00 0.00 46.19 46.18 1bb3 s LEU 79 CO 0.83 -0.34 0.75 -0.55 0.23 0.00 0.00 176.35 177.27 1bb3 s SER 80 N -1.81 7.26 0.61 2.29 0.15 -1.26 -0.69 113.70 120.24 1bb3 s SER 80 Ca -0.09 1.50 0.30 0.00 0.70 0.00 0.00 55.95 58.36 1bb3 s SER 80 Cb -0.06 -2.47 1.72 0.00 -1.71 0.00 0.00 66.02 63.50 1bb3 s SER 80 CO -0.02 0.10 2.09 0.00 1.20 0.00 0.00 173.24 176.61 1bb3 h SER 82 N 0.00 0.00 0.89 0.00 4.64 -1.91 -0.75 113.55 116.41 1bb3 h SER 82 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1bb3 h SER 82 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1bb3 h SER 82 CO -0.00 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1bb3 n ALA 83 N -2.23 1.78 -0.07 5.18 0.00 0.31 -2.50 120.51 122.98 1bb3 n ALA 83 Ca -0.02 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1bb3 n ALA 83 Cb 0.24 -1.41 0.28 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.28 3.66 -0.02 0.00 4.77 -0.29 -3.86 117.00 118.98 1bb3 n LEU 84 Ca 0.03 -1.84 0.01 0.00 -0.03 0.00 0.00 56.01 54.18 1bb3 n LEU 84 Cb 0.27 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1bb3 n LEU 84 CO 0.22 0.71 0.49 0.18 -1.33 0.00 0.00 177.39 177.66 1bb3 n LEU 85 N 1.00 1.87 -4.90 2.23 4.77 -1.04 -3.20 117.00 117.73 1bb3 n LEU 85 Ca 0.20 -1.99 -0.28 0.00 -0.03 0.00 0.00 56.01 53.91 1bb3 n LEU 85 Cb 0.66 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1bb3 n LEU 85 CO 0.17 0.49 0.45 -1.10 -1.33 0.00 0.00 177.39 176.07 1bb3 s GLN 86 N -1.16 3.62 0.34 3.23 -1.52 -1.25 -4.49 119.66 118.42 1bb3 s GLN 86 Ca 0.04 0.30 0.06 0.00 -1.95 0.00 0.00 55.36 53.81 1bb3 s GLN 86 Cb 0.04 -2.37 0.61 0.00 -0.22 0.00 0.00 33.01 31.07 1bb3 s GLN 86 CO 0.00 -0.16 1.84 -0.44 -0.25 0.00 0.00 175.29 176.28 1bb3 h ASP 87 N 0.54 0.37 -3.54 5.90 3.32 -1.93 -3.39 116.42 117.69 1bb3 h ASP 87 Ca -0.47 -0.09 -0.60 0.00 0.02 0.00 0.00 57.03 55.89 1bb3 h ASP 87 Cb 1.20 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 1bb3 h ASP 87 CO 0.62 0.54 0.56 0.21 -1.72 0.00 0.00 179.24 179.45 1bb3 s ASN 88 N -6.81 6.61 -0.09 6.45 3.04 -1.26 -4.93 114.94 117.95 1bb3 s ASN 88 Ca -0.06 0.43 0.09 0.00 0.04 0.00 0.00 52.86 53.35 1bb3 s ASN 88 Cb 0.15 -2.45 0.41 0.00 -1.54 0.00 0.00 41.25 37.82 1bb3 s ASN 88 CO 0.76 -0.88 1.20 2.30 -3.04 0.00 0.00 177.10 177.43 1bb3 n ILE 89 N 6.05 1.19 -0.12 -5.21 -5.35 -1.26 -4.39 119.36 110.27 1bb3 n ILE 89 Ca 0.06 -0.68 -0.08 0.00 -0.27 0.00 0.00 62.75 61.79 1bb3 n ILE 89 Cb 0.48 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 3.25 0.50 -0.36 -1.28 0.00 -1.94 -0.23 119.26 119.19 1bb3 h ALA 90 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1bb3 h ALA 90 Cb 1.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1bb3 h ALA 90 CO 0.19 -0.06 -0.18 -0.44 0.00 0.00 0.00 179.25 178.75 1bb3 h ASP 91 N 0.51 0.66 -0.66 0.00 3.32 -1.87 -2.02 116.42 116.36 1bb3 h ASP 91 Ca 0.15 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1bb3 h ASP 91 Cb -0.04 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1bb3 h ASP 91 CO -0.04 0.85 0.09 0.00 -1.72 0.00 0.00 179.24 178.42 1bb3 h ALA 92 N 1.21 0.88 -0.32 3.45 0.00 -1.70 -1.92 119.26 120.86 1bb3 h ALA 92 Ca 0.09 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1bb3 h ALA 92 Cb 0.64 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1bb3 h ALA 92 CO 0.05 0.66 -0.36 0.28 0.00 0.00 0.00 179.25 179.88 1bb3 h VAL 93 N 1.03 1.28 -0.62 0.00 2.07 -0.85 -1.05 116.25 118.12 1bb3 h VAL 93 Ca 0.20 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1bb3 h VAL 93 Cb 0.46 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1bb3 h VAL 93 CO 0.02 0.49 0.14 0.00 0.02 0.00 0.00 177.57 178.24 1bb3 h ALA 94 N 0.99 1.09 -0.08 1.67 0.00 -1.17 -1.94 119.26 119.81 1bb3 h ALA 94 Ca 0.06 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1bb3 h ALA 94 Cb 0.89 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bb3 h ALA 94 CO 0.08 0.60 -0.72 0.00 0.00 0.00 0.00 179.25 179.22 1bb3 h LEU 96 N 0.29 1.11 -1.46 0.00 5.85 -0.81 -0.44 115.31 119.85 1bb3 h LEU 96 Ca -0.03 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1bb3 h LEU 96 Cb 1.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1bb3 h LEU 96 CO 0.12 0.92 0.03 0.11 -0.34 0.00 0.00 178.44 179.28 1bb3 h LYS 97 N 1.22 0.38 0.08 1.25 1.57 -1.33 -1.72 116.57 118.02 1bb3 h LYS 97 Ca 0.30 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.77 1bb3 h LYS 97 Cb 0.09 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.36 1bb3 h LYS 97 CO -0.04 0.39 -1.04 -0.09 -0.57 0.00 0.00 179.45 178.10 1bb3 h ARG 98 N 0.37 0.56 -0.72 3.15 9.65 -1.40 -3.12 114.38 122.87 1bb3 h ARG 98 Ca 0.09 -0.71 0.05 0.00 -1.10 0.00 0.00 59.98 58.31 1bb3 h ARG 98 Cb 0.21 0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 1bb3 h ARG 98 CO 0.00 1.30 0.43 0.28 2.80 0.00 0.00 179.97 184.79 1bb3 h VAL 99 N 0.14 1.02 0.00 0.20 2.07 -0.65 -1.94 116.25 117.09 1bb3 h VAL 99 Ca -0.15 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1bb3 h VAL 99 Cb 1.73 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1bb3 h VAL 99 CO 0.20 0.15 0.00 1.33 0.02 0.00 0.00 177.57 179.27 1bb3 n VAL 100 N -4.71 0.09 0.77 2.57 0.24 -0.69 -3.10 118.33 113.49 1bb3 n VAL 100 Ca 0.09 0.02 0.08 0.00 -2.04 0.00 0.00 64.34 62.50 1bb3 n VAL 100 Cb 0.15 -0.55 0.41 0.00 -1.47 0.00 0.00 33.84 32.39 1bb3 n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1bb3 n ARG 101 N -1.45 0.21 -1.82 7.34 0.63 -0.73 -4.11 116.66 116.73 1bb3 n ARG 101 Ca 0.08 0.14 -0.31 0.00 -0.92 0.00 0.00 57.85 56.84 1bb3 n ARG 101 Cb 0.30 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.73 1bb3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1bb3 s ASP 102 N -2.62 5.94 0.28 6.15 1.11 -1.18 -4.97 116.67 121.39 1bb3 s ASP 102 Ca 0.15 1.40 0.02 0.00 0.18 0.00 0.00 52.55 54.30 1bb3 s ASP 102 Cb 0.11 -2.38 0.66 0.00 1.07 0.00 0.00 42.92 42.38 1bb3 s ASP 102 CO 0.26 -1.05 1.71 -0.65 1.18 0.00 0.00 175.17 176.61 1bb3 h PRO 103 N -0.45 0.42 -0.17 8.23 0.11 -1.91 -1.99 132.00 136.24 1bb3 h PRO 103 Ca -0.44 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1bb3 h PRO 103 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1bb3 h PRO 103 CO 0.61 0.28 -0.48 0.37 -0.21 0.00 0.00 178.00 178.57 1bb3 h GLN 104 N 0.43 0.45 0.00 1.05 4.15 -1.93 -3.49 115.11 115.77 1bb3 h GLN 104 Ca 0.52 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1bb3 h GLN 104 Cb 0.94 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1bb3 h GLN 104 CO -0.49 0.84 0.00 0.41 -1.93 0.00 0.00 178.83 177.65 1bb3 n GLY 105 N 0.08 1.57 0.12 2.39 0.00 -0.75 -2.38 105.19 106.22 1bb3 n GLY 105 Ca -0.02 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 1.26 0.51 -0.61 3.06 -1.26 -1.49 119.36 120.83 1bb3 n ILE 106 Ca 0.00 0.67 0.10 0.00 -2.50 0.00 0.00 62.75 61.02 1bb3 n ILE 106 Cb 0.00 -1.67 0.42 0.00 0.54 0.00 0.00 39.64 38.93 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 -2.07 0.11 0.15 9.51 1.74 -1.00 -2.94 116.66 122.15 1bb3 n ARG 107 Ca -0.01 0.30 0.09 0.00 -0.77 0.00 0.00 57.85 57.46 1bb3 n ARG 107 Cb 0.03 -1.68 0.59 0.00 -1.02 0.00 0.00 32.46 30.37 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 2.44 1.99 -2.13 7.54 0.00 -1.43 -3.40 119.26 124.27 1bb3 h ALA 108 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 1bb3 h ALA 108 Cb 0.36 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1bb3 h ALA 108 CO 0.00 -0.02 0.46 -1.58 0.00 0.00 0.00 179.25 178.11 1bb3 s TRP 109 N -5.18 3.11 0.30 0.00 0.51 -1.15 -4.94 118.94 111.59 1bb3 s TRP 109 Ca -0.06 0.67 -0.02 0.00 -2.12 0.00 0.00 56.10 54.57 1bb3 s TRP 109 Cb 0.18 -3.46 0.43 0.00 -0.81 0.00 0.00 33.47 29.81 1bb3 s TRP 109 CO 0.69 -0.74 1.96 0.28 -0.51 0.00 0.00 176.95 178.63 1bb3 h VAL 110 N 5.75 1.21 -0.61 4.03 2.07 -1.90 -2.26 116.25 124.55 1bb3 h VAL 110 Ca -0.24 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1bb3 h VAL 110 Cb 1.09 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1bb3 h VAL 110 CO 0.93 0.21 0.19 0.00 0.02 0.00 0.00 177.57 178.92 1bb3 h ALA 111 N 1.47 1.18 -0.45 1.67 0.00 -1.95 -1.25 119.26 119.93 1bb3 h ALA 111 Ca 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1bb3 h ALA 111 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1bb3 h ALA 111 CO -0.06 0.57 0.02 2.35 0.00 0.00 0.00 179.25 182.13 1bb3 h TRP 112 N 0.90 0.85 -0.32 0.00 7.01 -1.76 0.42 115.95 123.05 1bb3 h TRP 112 Ca 0.20 -0.14 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 1bb3 h TRP 112 Cb 0.26 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 1bb3 h TRP 112 CO 0.02 0.82 -0.08 0.07 -2.79 0.00 0.00 178.44 176.48 1bb3 h ARG 113 N 0.63 0.53 0.01 2.65 0.11 -1.17 0.30 114.38 117.44 1bb3 h ARG 113 Ca 0.13 -0.14 -0.25 0.00 0.10 0.00 0.00 59.98 59.82 1bb3 h ARG 113 Cb 0.47 -0.06 -0.04 0.00 1.11 0.00 0.00 29.97 31.44 1bb3 h ARG 113 CO 0.02 0.61 -1.36 -0.91 0.10 0.00 0.00 179.97 178.43 1bb3 h ASN 114 N 0.49 0.02 0.00 0.08 -0.26 -0.92 -3.37 115.58 111.63 1bb3 h ASN 114 Ca 0.10 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1bb3 h ASN 114 Cb 0.44 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1bb3 h ASN 114 CO 0.02 1.02 -1.02 0.54 -1.06 0.00 0.00 177.43 176.94 1bb3 n ARG 115 N -3.21 1.82 0.00 0.81 5.12 0.15 -4.89 116.66 116.46 1bb3 n ARG 115 Ca -0.09 -0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 55.77 1bb3 n ARG 115 Cb 1.00 -1.11 -0.00 0.00 -1.16 0.00 0.00 32.46 31.18 1bb3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bb3 n GLN 117 N -3.13 1.00 -0.79 0.00 7.27 -0.15 -1.63 117.38 119.94 1bb3 n GLN 117 Ca -0.02 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1bb3 n GLN 117 Cb 0.44 -1.93 0.00 0.00 2.41 0.00 0.00 30.24 31.16 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 2.24 -1.78 -4.80 1.69 3.02 -1.26 -4.93 115.26 109.44 1bb3 n ASN 118 Ca 0.18 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.51 1bb3 n ASN 118 Cb 0.20 -1.92 -0.05 0.00 -0.61 0.00 0.00 39.78 37.40 1bb3 n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bb3 s ARG 119 N -0.88 2.68 -0.14 3.52 0.52 -0.65 -5.06 118.95 118.94 1bb3 s ARG 119 Ca 0.00 -1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 53.65 1bb3 s ARG 119 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1bb3 s ARG 119 CO 0.00 0.23 1.42 0.34 0.02 0.00 0.00 175.30 177.31 1bb3 s ASP 120 N -3.88 6.81 -0.13 0.23 -1.08 -1.26 -4.87 116.67 112.49 1bb3 s ASP 120 Ca 0.36 1.85 0.19 0.00 -0.52 0.00 0.00 52.55 54.43 1bb3 s ASP 120 Cb -0.06 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.16 1bb3 s ASP 120 CO 0.25 -0.86 1.16 1.33 0.52 0.00 0.00 175.17 177.57 1bb3 n VAL 121 N 5.51 1.90 0.23 1.11 0.24 -1.26 -4.72 118.33 121.35 1bb3 n VAL 121 Ca 0.15 -2.24 0.06 0.00 -2.04 0.00 0.00 64.34 60.27 1bb3 n VAL 121 Cb 0.44 -0.24 0.55 0.00 -1.47 0.00 0.00 33.84 33.12 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 0.09 0.00 -0.79 7.34 3.08 -1.93 -2.84 114.38 119.33 1bb3 h ARG 122 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1bb3 h ARG 122 Cb 1.02 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 1bb3 h ARG 122 CO 0.01 0.14 0.52 -0.56 -1.07 0.00 0.00 179.97 179.00 1bb3 h GLN 123 N 0.00 0.73 0.00 0.04 3.07 -1.97 -1.99 115.11 114.99 1bb3 h GLN 123 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1bb3 h GLN 123 Cb 0.25 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1bb3 h GLN 123 CO 0.02 0.48 0.00 0.66 0.09 0.00 0.00 178.83 180.08 1bb3 n TYR 124 N -4.50 0.16 -0.33 0.06 4.01 -1.07 -3.05 117.16 112.44 1bb3 n TYR 124 Ca 0.13 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1bb3 n TYR 124 Cb 0.30 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 1bb3 n TYR 124 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1bb3 n VAL 125 N -1.66 0.00 -1.78 -0.72 3.14 -0.84 -4.87 118.33 111.60 1bb3 n VAL 125 Ca 0.01 -0.21 -0.42 0.00 -2.96 0.00 0.00 64.34 60.76 1bb3 n VAL 125 Cb 0.09 1.33 -0.03 0.00 -1.06 0.00 0.00 33.84 34.17 1bb3 n VAL 125 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1bb3 s GLN 126 N -0.18 4.16 0.00 1.45 -1.52 -0.81 -2.61 119.66 120.15 1bb3 s GLN 126 Ca 0.00 2.52 0.00 0.00 -1.95 0.00 0.00 55.36 55.93 1bb3 s GLN 126 Cb 0.00 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1bb3 s GLN 126 CO 0.00 -0.80 0.00 0.41 -0.25 0.00 0.00 175.29 174.65 1bb3 n GLY 127 N 4.13 0.68 0.11 3.09 0.00 -1.26 -4.92 105.19 107.03 1bb3 n GLY 127 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 1.44 -0.17 0.15 0.00 0.00 -1.26 -4.91 105.19 100.44 1bb3 n GLY 129 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1bb3 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65