#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb5 s VAL 2 N 0.00 4.43 0.53 3.15 1.01 -1.26 -1.28 120.40 126.98 1bb5 s VAL 2 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1bb5 s VAL 2 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1bb5 s VAL 2 CO 0.00 -0.38 1.16 -0.36 0.00 0.00 0.00 175.10 175.52 1bb5 s PHE 3 N 1.50 2.65 0.27 5.22 0.40 -0.33 -5.00 117.98 122.69 1bb5 s PHE 3 Ca 0.02 1.53 -0.20 0.00 -0.60 0.00 0.00 56.93 57.68 1bb5 s PHE 3 Cb -0.21 -3.36 -0.09 0.00 0.51 0.00 0.00 43.02 39.87 1bb5 s PHE 3 CO 0.04 -1.72 0.79 -2.00 0.70 0.00 0.00 175.22 173.03 1bb5 s GLU 4 N -3.15 4.29 0.09 0.44 2.56 -1.26 -4.86 118.70 116.81 1bb5 s GLU 4 Ca 0.72 0.96 -0.20 0.00 0.00 0.00 0.00 54.97 56.44 1bb5 s GLU 4 Cb -0.27 -2.76 -0.06 0.00 2.00 0.00 0.00 34.13 33.05 1bb5 s GLU 4 CO 0.30 0.31 1.35 -0.09 -0.56 0.00 0.00 175.26 176.57 1bb5 h ARG 5 N 3.11 -0.13 -0.35 4.30 2.43 -1.97 -1.12 114.38 120.64 1bb5 h ARG 5 Ca -0.48 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1bb5 h ARG 5 Cb 1.19 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1bb5 h ARG 5 CO 0.65 -0.09 -0.03 0.00 -1.51 0.00 0.00 179.97 178.99 1bb5 h GLU 7 N 0.53 1.13 -0.22 0.00 4.81 -1.81 -0.44 114.58 118.58 1bb5 h GLU 7 Ca 0.11 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 1bb5 h GLU 7 Cb 0.39 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1bb5 h GLU 7 CO 0.02 0.75 -0.59 1.25 -0.73 0.00 0.00 179.01 179.71 1bb5 h LEU 8 N 1.16 0.90 -0.63 1.64 5.85 -0.76 -2.29 115.31 121.18 1bb5 h LEU 8 Ca 0.36 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1bb5 h LEU 8 Cb -0.03 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1bb5 h LEU 8 CO -0.11 1.31 0.36 0.00 -0.34 0.00 0.00 178.44 179.66 1bb5 h ALA 9 N 0.61 0.84 -0.39 1.25 0.00 -0.78 0.11 119.26 120.90 1bb5 h ALA 9 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1bb5 h ALA 9 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1bb5 h ALA 9 CO 0.13 0.05 -0.17 0.00 0.00 0.00 0.00 179.25 179.26 1bb5 h ARG 10 N 0.68 0.73 -0.22 0.00 3.08 -1.09 -1.36 114.38 116.19 1bb5 h ARG 10 Ca 0.28 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1bb5 h ARG 10 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1bb5 h ARG 10 CO -0.16 0.85 -0.04 1.15 -1.07 0.00 0.00 179.97 180.70 1bb5 h THR 11 N 0.65 1.28 -0.49 2.04 2.02 -0.73 -1.44 112.91 116.24 1bb5 h THR 11 Ca 0.10 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.19 1bb5 h THR 11 Cb 0.65 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1bb5 h THR 11 CO 0.05 0.31 0.00 -0.07 0.37 0.00 0.00 175.52 176.18 1bb5 h LEU 12 N 0.16 0.78 -0.57 2.58 3.38 -0.74 -0.83 115.31 120.06 1bb5 h LEU 12 Ca 0.06 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1bb5 h LEU 12 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1bb5 h LEU 12 CO 0.02 0.84 0.09 0.50 0.09 0.00 0.00 178.44 179.98 1bb5 h LYS 13 N 0.76 0.95 -0.55 1.13 3.64 -1.16 0.74 116.57 122.08 1bb5 h LYS 13 Ca 0.15 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1bb5 h LYS 13 Cb 0.46 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1bb5 h LYS 13 CO 0.02 0.91 0.11 -0.09 -2.27 0.00 0.00 179.45 178.13 1bb5 h ARG 14 N 0.85 0.87 -0.73 1.90 2.43 -0.88 -2.09 114.38 116.72 1bb5 h ARG 14 Ca 0.17 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bb5 h ARG 14 Cb 0.43 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1bb5 h ARG 14 CO 0.01 0.79 0.00 1.28 -1.51 0.00 0.00 179.97 180.55 1bb5 n LEU 15 N -4.26 1.47 -1.35 3.80 4.77 -0.35 -4.88 117.00 116.20 1bb5 n LEU 15 Ca 0.04 -0.74 -0.12 0.00 -0.03 0.00 0.00 56.01 55.16 1bb5 n LEU 15 Cb 0.25 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1bb5 n LEU 15 CO 0.41 0.27 -0.14 0.61 -1.33 0.00 0.00 177.39 177.20 1bb5 n GLY 16 N 0.24 -0.11 0.11 -0.72 0.00 -0.78 -4.95 105.19 98.97 1bb5 n GLY 16 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 1bb5 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1bb5 h MET 17 N -0.03 0.00 -5.98 1.61 2.86 -1.02 -3.39 114.93 108.98 1bb5 h MET 17 Ca -0.28 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.80 1bb5 h MET 17 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1bb5 h MET 17 CO 0.33 0.58 1.46 0.34 1.06 0.00 0.00 176.91 180.68 1bb5 s ASP 18 N -6.38 5.34 0.00 1.22 2.15 -1.26 -1.29 116.67 116.45 1bb5 s ASP 18 Ca 0.02 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1bb5 s ASP 18 Cb 0.08 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1bb5 s ASP 18 CO 0.78 -2.11 0.00 0.61 -0.17 0.00 0.00 175.17 174.28 1bb5 n GLY 19 N 5.73 0.76 3.67 2.66 0.00 0.62 -4.88 105.19 113.76 1bb5 n GLY 19 Ca 0.29 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 1bb5 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bb5 n TYR 20 N -2.37 2.50 -2.22 1.61 9.36 -0.41 0.10 117.16 125.72 1bb5 n TYR 20 Ca 0.00 -0.23 -0.19 0.00 3.32 0.00 0.00 57.90 60.80 1bb5 n TYR 20 Cb 0.00 -2.75 -0.02 0.00 -0.63 0.00 0.00 39.34 35.93 1bb5 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bb5 n ARG 21 N 6.77 -1.71 -0.69 2.98 5.12 -1.26 -1.33 116.66 126.53 1bb5 n ARG 21 Ca 0.20 0.98 0.00 0.00 -1.93 0.00 0.00 57.85 57.10 1bb5 n ARG 21 Cb 0.37 -5.57 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 1bb5 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bb5 n GLY 22 N -0.84 1.29 3.67 -0.13 0.00 0.11 -5.02 105.19 104.28 1bb5 n GLY 22 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1bb5 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bb5 s ILE 23 N -3.56 4.99 0.75 -0.61 -1.09 -0.44 -4.83 121.20 116.41 1bb5 s ILE 23 Ca 0.00 1.32 -0.12 0.00 -2.23 0.00 0.00 60.65 59.62 1bb5 s ILE 23 Cb 0.00 -4.00 0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1bb5 s ILE 23 CO 0.00 0.11 1.11 -0.94 -1.23 0.00 0.00 174.94 173.99 1bb5 s SER 24 N 1.12 4.51 0.24 3.58 1.04 -1.26 -0.27 113.70 122.66 1bb5 s SER 24 Ca 0.32 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.60 1bb5 s SER 24 Cb -0.16 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 63.66 1bb5 s SER 24 CO 0.12 -2.03 1.91 0.25 0.98 0.00 0.00 173.24 174.46 1bb5 h LEU 25 N -0.85 1.04 -1.05 2.42 5.85 -1.90 -2.02 115.31 118.80 1bb5 h LEU 25 Ca -0.45 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.33 1bb5 h LEU 25 Cb 1.24 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1bb5 h LEU 25 CO 0.51 0.75 0.63 0.00 -0.34 0.00 0.00 178.44 179.99 1bb5 h ALA 26 N 1.34 1.48 -0.47 1.25 0.00 -1.92 0.16 119.26 121.10 1bb5 h ALA 26 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1bb5 h ALA 26 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1bb5 h ALA 26 CO -0.08 0.35 -0.12 -0.91 0.00 0.00 0.00 179.25 178.48 1bb5 h ASN 27 N 1.08 0.88 -0.27 0.00 2.35 -1.68 -0.90 115.58 117.04 1bb5 h ASN 27 Ca 0.44 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1bb5 h ASN 27 Cb 0.28 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1bb5 h ASN 27 CO -0.19 1.01 -0.29 -0.50 -1.65 0.00 0.00 177.43 175.81 1bb5 h TRP 28 N 0.79 0.89 -0.59 1.19 -0.00 -1.05 -1.72 115.95 115.46 1bb5 h TRP 28 Ca 0.13 -0.23 -0.09 0.00 -0.00 0.00 0.00 58.89 58.70 1bb5 h TRP 28 Cb 0.65 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 1bb5 h TRP 28 CO 0.04 0.97 0.01 0.52 -0.00 0.00 0.00 178.44 179.98 1bb5 h MET 29 N 0.66 1.04 -0.30 0.49 2.86 -0.71 -1.24 114.93 117.73 1bb5 h MET 29 Ca 0.08 -0.33 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1bb5 h MET 29 Cb 0.82 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1bb5 h MET 29 CO 0.07 1.02 -0.26 0.00 1.06 0.00 0.00 176.91 178.80 1bb5 h LEU 31 N 0.52 0.06 -0.65 0.00 6.46 -1.05 -2.42 115.31 118.24 1bb5 h LEU 31 Ca 0.07 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1bb5 h LEU 31 Cb 0.72 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1bb5 h LEU 31 CO 0.06 0.27 0.30 0.00 -0.62 0.00 0.00 178.44 178.45 1bb5 h ALA 32 N 0.79 0.84 -0.01 1.25 0.00 -1.11 0.79 119.26 121.80 1bb5 h ALA 32 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1bb5 h ALA 32 Cb 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1bb5 h ALA 32 CO 0.00 0.41 -0.16 -0.22 0.00 0.00 0.00 179.25 179.28 1bb5 h LYS 33 N 0.90 -0.25 0.00 0.00 1.63 -1.07 -1.24 116.57 116.54 1bb5 h LYS 33 Ca 0.22 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1bb5 h LYS 33 Cb 0.13 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1bb5 h LYS 33 CO -0.03 -0.17 -0.21 -1.49 -3.45 0.00 0.00 179.45 174.10 1bb5 h TRP 34 N -0.26 0.00 0.14 1.91 4.06 -1.31 0.13 115.95 120.61 1bb5 h TRP 34 Ca 0.06 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.72 1bb5 h TRP 34 Cb 0.34 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1bb5 h TRP 34 CO -0.22 0.18 -1.33 0.93 -3.56 0.00 0.00 178.44 174.44 1bb5 h GLU 35 N 0.00 0.29 0.00 0.49 4.39 -0.69 -3.43 114.58 115.64 1bb5 h GLU 35 Ca -0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1bb5 h GLU 35 Cb 1.14 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1bb5 h GLU 35 CO 0.02 1.22 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1bb5 n SER 36 N -3.53 0.00 -0.84 1.42 3.41 -0.52 -4.79 113.62 108.76 1bb5 n SER 36 Ca -0.11 -0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.02 1bb5 n SER 36 Cb 1.04 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.97 1bb5 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bb5 n GLY 37 N 0.00 0.44 2.23 5.00 0.00 0.46 -2.49 105.19 110.83 1bb5 n GLY 37 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1bb5 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bb5 n TYR 38 N -3.48 -0.35 -3.67 1.61 4.01 -1.16 -4.80 117.16 109.30 1bb5 n TYR 38 Ca -0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.26 1bb5 n TYR 38 Cb 0.45 -2.35 -0.12 0.00 -0.31 0.00 0.00 39.34 37.01 1bb5 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bb5 s ASN 39 N -2.63 5.49 0.18 7.72 3.84 -1.04 -1.19 114.94 127.30 1bb5 s ASN 39 Ca 0.00 -0.44 0.19 0.00 0.21 0.00 0.00 52.86 52.82 1bb5 s ASN 39 Cb 0.00 -1.99 0.83 0.00 -0.55 0.00 0.00 41.25 39.54 1bb5 s ASN 39 CO 0.00 -0.15 1.58 0.35 -2.79 0.00 0.00 177.10 176.09 1bb5 n THR 40 N 4.97 0.99 0.50 -5.21 -2.24 -0.41 -2.41 114.28 110.47 1bb5 n THR 40 Ca -0.14 0.32 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1bb5 n THR 40 Cb 0.50 -1.22 0.18 0.00 -2.10 0.00 0.00 70.33 67.69 1bb5 n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bb5 n ARG 41 N -1.98 2.45 -1.82 -0.78 1.74 -1.26 -4.04 116.66 110.97 1bb5 n ARG 41 Ca 0.02 -2.19 -0.40 0.00 -0.77 0.00 0.00 57.85 54.51 1bb5 n ARG 41 Cb 0.17 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 1bb5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb5 s ALA 42 N -1.63 3.25 0.03 7.54 0.00 -1.01 -4.78 121.76 125.15 1bb5 s ALA 42 Ca 0.36 1.45 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1bb5 s ALA 42 Cb 0.22 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1bb5 s ALA 42 CO 0.31 -1.16 0.18 0.95 0.00 0.00 0.00 175.76 176.04 1bb5 s THR 43 N -1.21 0.10 -0.26 0.00 -4.23 -1.26 -0.60 115.64 108.20 1bb5 s THR 43 Ca 0.60 -0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1bb5 s THR 43 Cb -0.43 -0.79 0.14 0.00 1.34 0.00 0.00 72.50 72.76 1bb5 s THR 43 CO 0.56 -0.47 0.49 0.21 -0.54 0.00 0.00 174.62 174.87 1bb5 s ASN 44 N -1.90 -0.56 0.11 3.99 3.04 -0.80 -4.97 114.94 113.86 1bb5 s ASN 44 Ca -0.08 0.83 -0.25 0.00 0.04 0.00 0.00 52.86 53.40 1bb5 s ASN 44 Cb -0.03 1.66 -0.07 0.00 -1.54 0.00 0.00 41.25 41.28 1bb5 s ASN 44 CO -0.02 -0.26 0.78 -0.47 -3.04 0.00 0.00 177.10 174.09 1bb5 s TYR 45 N 2.71 3.83 -0.42 0.43 5.04 -1.26 -0.68 117.35 127.00 1bb5 s TYR 45 Ca 0.08 1.58 -0.03 0.00 -2.44 0.00 0.00 57.07 56.26 1bb5 s TYR 45 Cb -0.14 -2.81 0.11 0.00 0.35 0.00 0.00 41.96 39.48 1bb5 s TYR 45 CO -0.17 0.40 0.21 -0.80 -1.34 0.00 0.00 175.55 173.85 1bb5 s ASN 46 N -0.62 5.24 0.53 4.32 0.01 0.12 -4.96 114.94 119.58 1bb5 s ASN 46 Ca 0.38 -2.09 0.20 0.00 -0.71 0.00 0.00 52.86 50.63 1bb5 s ASN 46 Cb -0.22 -1.82 1.37 0.00 0.41 0.00 0.00 41.25 40.98 1bb5 s ASN 46 CO 0.25 -0.53 2.13 0.00 -1.51 0.00 0.00 177.10 177.45 1bb5 h ALA 47 N 7.97 2.02 -0.41 0.60 0.00 -1.94 0.15 119.26 127.66 1bb5 h ALA 47 Ca -0.12 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1bb5 h ALA 47 Cb 1.04 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1bb5 h ALA 47 CO 0.69 -0.12 -0.32 0.78 0.00 0.00 0.00 179.25 180.28 1bb5 h GLY 48 N 0.00 -0.22 -0.05 0.00 0.00 -1.94 -3.12 103.07 97.73 1bb5 h GLY 48 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1bb5 h GLY 48 CO -0.00 -0.21 -0.03 2.09 0.00 0.00 0.00 176.54 178.40 1bb5 n ASP 49 N -5.42 2.06 -1.89 0.19 5.75 -1.11 -4.99 116.55 111.15 1bb5 n ASP 49 Ca 0.01 -2.63 -0.21 0.00 -0.01 0.00 0.00 54.79 51.96 1bb5 n ASP 49 Cb 0.34 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 1bb5 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1bb5 n ARG 50 N -1.03 -1.52 -2.81 0.11 1.74 0.51 -4.56 116.66 109.10 1bb5 n ARG 50 Ca 0.10 1.14 -0.19 0.00 -0.77 0.00 0.00 57.85 58.12 1bb5 n ARG 50 Cb 0.51 -5.62 0.03 0.00 -1.02 0.00 0.00 32.46 26.37 1bb5 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bb5 s SER 51 N -2.50 5.40 -0.01 0.55 1.04 -1.00 -4.55 113.70 112.62 1bb5 s SER 51 Ca 0.00 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1bb5 s SER 51 Cb 0.00 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.42 1bb5 s SER 51 CO 0.00 -1.01 -0.01 -0.89 0.98 0.00 0.00 173.24 172.30 1bb5 s THR 52 N -2.60 0.14 -0.13 2.02 2.01 -1.26 0.13 115.64 115.95 1bb5 s THR 52 Ca 0.57 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 1bb5 s THR 52 Cb -0.10 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1bb5 s THR 52 CO 0.36 0.06 0.37 -1.81 -0.69 0.00 0.00 174.62 172.90 1bb5 s ASP 53 N 0.12 6.56 -0.01 3.53 1.01 0.14 -1.58 116.67 126.44 1bb5 s ASP 53 Ca -0.01 0.66 0.08 0.00 0.71 0.00 0.00 52.55 53.99 1bb5 s ASP 53 Cb -0.03 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1bb5 s ASP 53 CO -0.00 0.09 -0.25 -0.31 0.21 0.00 0.00 175.17 174.91 1bb5 s TYR 54 N 0.34 2.24 0.00 4.23 1.51 0.32 -1.91 117.35 124.09 1bb5 s TYR 54 Ca 0.20 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1bb5 s TYR 54 Cb -0.14 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1bb5 s TYR 54 CO 0.07 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1bb5 n GLY 55 N 2.37 -2.08 0.34 0.71 0.00 0.24 -1.53 105.19 105.24 1bb5 n GLY 55 Ca -0.16 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.61 1bb5 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb5 h ILE 56 N -0.02 0.55 -0.05 -0.61 2.10 -1.65 -1.29 117.51 116.53 1bb5 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1bb5 h ILE 56 Cb 0.02 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 1bb5 h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1bb5 n PHE 57 N -3.96 0.05 -3.69 2.19 3.72 -1.26 -4.15 117.46 110.36 1bb5 n PHE 57 Ca 0.03 -0.05 -0.27 0.00 -0.05 0.00 0.00 57.45 57.11 1bb5 n PHE 57 Cb 0.38 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1bb5 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bb5 n GLN 58 N 0.69 -2.35 -2.56 -1.08 1.13 -0.49 -4.93 117.38 107.79 1bb5 n GLN 58 Ca 0.08 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.24 1bb5 n GLN 58 Cb 0.32 -4.54 -0.04 0.00 0.11 0.00 0.00 30.24 26.10 1bb5 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bb5 s ILE 59 N -3.58 4.23 0.23 5.09 -1.09 -0.58 -4.38 121.20 121.12 1bb5 s ILE 59 Ca 0.31 1.74 -0.30 0.00 -2.23 0.00 0.00 60.65 60.17 1bb5 s ILE 59 Cb -0.10 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 1bb5 s ILE 59 CO 0.85 0.21 0.99 0.21 -1.23 0.00 0.00 174.94 175.96 1bb5 s ASN 60 N 0.50 7.53 0.00 3.58 3.84 -1.26 -0.52 114.94 128.60 1bb5 s ASN 60 Ca 0.52 2.01 0.30 0.00 0.21 0.00 0.00 52.86 55.91 1bb5 s ASN 60 Cb -0.27 -2.61 1.69 0.00 -0.55 0.00 0.00 41.25 39.52 1bb5 s ASN 60 CO 0.31 0.05 2.11 -1.54 -2.79 0.00 0.00 177.10 175.23 1bb5 n SER 61 N 1.61 0.00 0.04 -4.21 3.41 -0.61 -2.05 113.62 111.80 1bb5 n SER 61 Ca -0.01 -0.63 -0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1bb5 n SER 61 Cb 0.47 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 64.16 1bb5 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bb5 h ARG 62 N 0.00 0.19 0.00 4.33 2.43 -1.86 -3.41 114.38 116.05 1bb5 h ARG 62 Ca 0.00 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1bb5 h ARG 62 Cb 0.11 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1bb5 h ARG 62 CO 0.00 1.00 -1.05 0.66 -1.51 0.00 0.00 179.97 179.07 1bb5 n TYR 63 N -3.37 0.00 -0.08 2.20 4.01 -1.24 -0.87 117.16 117.81 1bb5 n TYR 63 Ca -0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 1bb5 n TYR 63 Cb 1.04 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.97 1bb5 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1bb5 n TRP 64 N -1.72 0.00 -4.23 -0.72 7.02 -0.87 -0.51 117.44 116.41 1bb5 n TRP 64 Ca -0.01 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 1bb5 n TRP 64 Cb 0.21 -0.62 -0.10 0.00 -2.42 0.00 0.00 31.31 28.38 1bb5 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bb5 s ASN 66 N -3.12 5.91 -0.01 0.00 2.47 -0.57 -4.40 114.94 115.22 1bb5 s ASN 66 Ca 0.15 -0.02 0.09 0.00 0.42 0.00 0.00 52.86 53.50 1bb5 s ASN 66 Cb 0.03 -2.09 0.25 0.00 -1.45 0.00 0.00 41.25 37.99 1bb5 s ASN 66 CO -0.00 -0.03 1.21 -0.90 -3.72 0.00 0.00 177.10 173.65 1bb5 n ASP 67 N 4.94 2.77 0.00 -4.21 5.75 -1.26 -0.92 116.55 123.62 1bb5 n ASP 67 Ca -0.14 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1bb5 n ASP 67 Cb 0.52 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1bb5 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bb5 n GLY 68 N 0.17 0.10 0.00 6.12 0.00 -1.26 -4.73 105.19 105.59 1bb5 n GLY 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1bb5 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bb5 n LYS 69 N -0.26 0.20 -3.66 1.61 5.02 -1.26 -5.06 118.16 114.74 1bb5 n LYS 69 Ca 0.00 -0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 55.43 1bb5 n LYS 69 Cb 0.31 -0.54 -0.10 0.00 -0.02 0.00 0.00 35.03 34.68 1bb5 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bb5 s THR 70 N -0.07 5.33 0.33 -0.18 2.01 -1.26 -4.95 115.64 116.85 1bb5 s THR 70 Ca 0.00 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.90 1bb5 s THR 70 Cb 0.00 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 1bb5 s THR 70 CO 0.00 0.33 1.11 -2.84 -0.69 0.00 0.00 174.62 172.53 1bb5 s PRO 71 N 1.16 4.43 -1.46 4.92 0.02 -1.26 -3.68 135.00 139.13 1bb5 s PRO 71 Ca 0.07 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 62.82 1bb5 s PRO 71 Cb -0.14 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1bb5 s PRO 71 CO 0.05 0.03 0.38 0.41 -0.33 0.00 0.00 177.00 177.54 1bb5 n GLY 72 N 0.89 -0.40 3.90 0.52 0.00 -1.26 -4.98 105.19 103.86 1bb5 n GLY 72 Ca 0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1bb5 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb5 s ALA 73 N -3.06 3.33 0.00 4.61 0.00 -1.24 -4.88 121.76 120.52 1bb5 s ALA 73 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1bb5 s ALA 73 Cb -0.08 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1bb5 s ALA 73 CO 0.23 -0.40 0.00 1.33 0.00 0.00 0.00 175.76 176.93 1bb5 n VAL 74 N -2.28 0.00 -3.36 0.00 0.24 -0.05 -4.99 118.33 107.89 1bb5 n VAL 74 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 1bb5 n VAL 74 Cb 0.55 -0.04 0.06 0.00 -1.47 0.00 0.00 33.84 32.94 1bb5 n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1bb5 n ASN 75 N -1.25 -6.36 0.16 -1.34 5.15 -1.20 -4.90 115.26 105.51 1bb5 n ASN 75 Ca 0.00 -0.76 0.13 0.00 -0.60 0.00 0.00 54.58 53.35 1bb5 n ASN 75 Cb 0.13 -4.70 0.52 0.00 -0.53 0.00 0.00 39.78 35.21 1bb5 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bb5 h ALA 76 N 0.21 1.00 -0.01 5.20 0.00 -0.76 -2.23 119.26 122.67 1bb5 h ALA 76 Ca -0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1bb5 h ALA 76 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1bb5 h ALA 76 CO 0.44 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 179.21 1bb5 n HIS 78 N -0.95 -1.99 -3.49 0.00 -0.00 -0.84 -4.97 115.22 102.98 1bb5 n HIS 78 Ca 0.08 0.52 -0.14 0.00 -0.00 0.00 0.00 57.72 58.19 1bb5 n HIS 78 Cb 0.36 -3.43 -0.04 0.00 -0.00 0.00 0.00 29.99 26.88 1bb5 n HIS 78 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1bb5 s LEU 79 N -6.19 -0.55 0.33 2.41 2.34 -1.26 -5.09 118.68 110.67 1bb5 s LEU 79 Ca 0.41 0.31 -0.26 0.00 0.06 0.00 0.00 54.13 54.66 1bb5 s LEU 79 Cb -0.15 2.41 -0.10 0.00 -0.56 0.00 0.00 46.19 47.79 1bb5 s LEU 79 CO 0.86 -0.71 0.97 -0.94 -1.06 0.00 0.00 176.35 175.46 1bb5 s SER 80 N -1.94 7.25 0.61 1.48 1.04 -1.26 -1.51 113.70 119.36 1bb5 s SER 80 Ca -0.03 1.89 0.32 0.00 0.48 0.00 0.00 55.95 58.60 1bb5 s SER 80 Cb -0.01 -2.58 1.85 0.00 0.10 0.00 0.00 66.02 65.38 1bb5 s SER 80 CO -0.02 -0.14 2.20 0.00 0.98 0.00 0.00 173.24 176.26 1bb5 h SER 82 N 0.00 0.00 1.05 0.00 4.64 -1.91 0.91 113.55 118.24 1bb5 h SER 82 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1bb5 h SER 82 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1bb5 h SER 82 CO -0.00 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1bb5 n ALA 83 N -2.26 1.94 -0.54 5.18 0.00 0.14 -2.54 120.51 122.43 1bb5 n ALA 83 Ca -0.03 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1bb5 n ALA 83 Cb 0.13 -1.42 0.35 0.00 0.00 0.00 0.00 19.45 18.51 1bb5 n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bb5 n LEU 84 N -2.23 4.64 -0.29 0.00 4.77 0.31 -3.95 117.00 120.26 1bb5 n LEU 84 Ca 0.04 -2.34 0.08 0.00 -0.03 0.00 0.00 56.01 53.75 1bb5 n LEU 84 Cb 0.32 -0.57 0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1bb5 n LEU 84 CO 0.24 0.81 0.46 0.18 -1.33 0.00 0.00 177.39 177.75 1bb5 n LEU 85 N 1.17 2.00 -4.94 2.23 4.77 -1.05 -2.87 117.00 118.30 1bb5 n LEU 85 Ca 0.25 -2.87 -0.23 0.00 -0.03 0.00 0.00 56.01 53.13 1bb5 n LEU 85 Cb 0.86 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1bb5 n LEU 85 CO 0.23 0.76 -0.07 -1.10 -1.33 0.00 0.00 177.39 175.88 1bb5 s GLN 86 N -2.38 3.38 0.21 3.23 -1.52 -1.25 -4.67 119.66 116.65 1bb5 s GLN 86 Ca 0.28 -0.75 -0.08 0.00 -1.95 0.00 0.00 55.36 52.86 1bb5 s GLN 86 Cb 0.26 -2.87 0.14 0.00 -0.22 0.00 0.00 33.01 30.32 1bb5 s GLN 86 CO -0.00 0.45 1.75 -0.44 -0.25 0.00 0.00 175.29 176.81 1bb5 h ASP 87 N 1.49 1.08 -3.09 5.90 3.32 -1.93 -3.40 116.42 119.80 1bb5 h ASP 87 Ca -0.51 -0.19 -0.58 0.00 0.02 0.00 0.00 57.03 55.77 1bb5 h ASP 87 Cb 1.22 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 1bb5 h ASP 87 CO 0.63 0.99 0.79 0.21 -1.72 0.00 0.00 179.24 180.14 1bb5 s ASN 88 N -6.38 7.10 -0.10 6.45 3.84 -1.26 -4.91 114.94 119.69 1bb5 s ASN 88 Ca -0.12 1.38 0.14 0.00 0.21 0.00 0.00 52.86 54.46 1bb5 s ASN 88 Cb 0.15 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.88 1bb5 s ASN 88 CO 0.84 -0.66 1.44 2.30 -2.79 0.00 0.00 177.10 178.23 1bb5 n ILE 89 N 5.30 1.50 -0.10 -5.21 -5.35 -1.26 -4.49 119.36 109.74 1bb5 n ILE 89 Ca 0.12 -0.93 -0.06 0.00 -0.27 0.00 0.00 62.75 61.61 1bb5 n ILE 89 Cb 0.46 -0.01 0.02 0.00 -1.74 0.00 0.00 39.64 38.37 1bb5 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bb5 h ALA 90 N 3.77 0.40 -0.54 -1.28 0.00 -1.95 0.96 119.26 120.62 1bb5 h ALA 90 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1bb5 h ALA 90 Cb 1.24 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1bb5 h ALA 90 CO 0.21 -0.30 0.20 -0.44 0.00 0.00 0.00 179.25 178.92 1bb5 h ASP 91 N 0.24 0.77 -0.84 0.00 3.32 -1.88 -1.50 116.42 116.54 1bb5 h ASP 91 Ca 0.17 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bb5 h ASP 91 Cb 0.16 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1bb5 h ASP 91 CO -0.19 0.75 0.51 0.00 -1.72 0.00 0.00 179.24 178.58 1bb5 h ALA 92 N 1.05 1.31 -0.38 3.45 0.00 -1.64 -0.59 119.26 122.46 1bb5 h ALA 92 Ca 0.18 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1bb5 h ALA 92 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1bb5 h ALA 92 CO -0.01 0.60 -0.38 0.28 0.00 0.00 0.00 179.25 179.74 1bb5 h VAL 93 N 1.16 1.27 -0.56 0.00 2.07 -0.58 -0.49 116.25 119.12 1bb5 h VAL 93 Ca 0.30 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 1bb5 h VAL 93 Cb -0.05 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1bb5 h VAL 93 CO -0.06 0.52 0.08 0.00 0.02 0.00 0.00 177.57 178.13 1bb5 h ALA 94 N 0.76 1.08 -0.07 1.67 0.00 -0.88 -1.35 119.26 120.47 1bb5 h ALA 94 Ca 0.06 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 1bb5 h ALA 94 Cb 0.97 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bb5 h ALA 94 CO 0.09 0.60 -0.83 0.00 0.00 0.00 0.00 179.25 179.11 1bb5 h LEU 96 N 0.34 0.67 -0.83 0.00 6.46 -0.87 -0.42 115.31 120.67 1bb5 h LEU 96 Ca -0.06 -0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.67 1bb5 h LEU 96 Cb 1.44 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 41.14 1bb5 h LEU 96 CO 0.15 0.58 0.50 0.11 -0.62 0.00 0.00 178.44 179.17 1bb5 h LYS 97 N 0.71 0.87 -0.56 1.25 1.57 -1.22 -1.13 116.57 118.06 1bb5 h LYS 97 Ca 0.18 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1bb5 h LYS 97 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1bb5 h LYS 97 CO -0.03 0.58 0.03 -0.09 -0.57 0.00 0.00 179.45 179.37 1bb5 h ARG 98 N 0.90 0.97 0.08 3.15 9.65 -1.07 -2.92 114.38 125.15 1bb5 h ARG 98 Ca 0.37 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1bb5 h ARG 98 Cb 0.22 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1bb5 h ARG 98 CO -0.19 0.96 -0.07 0.28 2.80 0.00 0.00 179.97 183.75 1bb5 h VAL 99 N 0.86 0.85 0.00 0.20 2.07 -0.10 -2.39 116.25 117.74 1bb5 h VAL 99 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1bb5 h VAL 99 Cb 0.50 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1bb5 h VAL 99 CO 0.02 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.24 1bb5 h VAL 100 N -0.16 0.00 0.00 2.57 -1.51 -1.18 -1.86 116.25 114.11 1bb5 h VAL 100 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1bb5 h VAL 100 Cb 0.15 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1bb5 h VAL 100 CO -0.01 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.87 1bb5 n ARG 101 N -2.93 0.14 -1.75 5.19 1.74 -0.90 -4.20 116.66 113.96 1bb5 n ARG 101 Ca -0.03 0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 57.00 1bb5 n ARG 101 Cb 0.07 -1.71 0.03 0.00 -1.02 0.00 0.00 32.46 29.83 1bb5 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bb5 s ASP 102 N -3.86 5.70 0.33 0.55 1.11 -0.70 -4.93 116.67 114.87 1bb5 s ASP 102 Ca 0.08 1.44 0.11 0.00 0.18 0.00 0.00 52.55 54.36 1bb5 s ASP 102 Cb 0.12 -2.37 1.00 0.00 1.07 0.00 0.00 42.92 42.74 1bb5 s ASP 102 CO 0.45 -1.21 1.64 -0.65 1.18 0.00 0.00 175.17 176.58 1bb5 h PRO 103 N -0.56 0.23 0.00 8.23 0.11 -1.89 -0.08 132.00 138.04 1bb5 h PRO 103 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bb5 h PRO 103 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bb5 h PRO 103 CO 0.60 0.15 0.00 0.37 -0.21 0.00 0.00 178.00 178.91 1bb5 h GLN 104 N 0.23 0.00 0.00 1.05 4.15 -1.92 -3.48 115.11 115.14 1bb5 h GLN 104 Ca 0.69 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.11 1bb5 h GLN 104 Cb 1.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.26 1bb5 h GLN 104 CO -0.66 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 176.65 1bb5 n GLY 105 N -0.23 1.60 0.08 2.39 0.00 -0.05 -2.10 105.19 106.88 1bb5 n GLY 105 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1bb5 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bb5 n ILE 106 N 0.00 1.42 0.83 -0.61 3.06 -1.26 -2.06 119.36 120.74 1bb5 n ILE 106 Ca 0.00 0.56 0.07 0.00 -2.50 0.00 0.00 62.75 60.88 1bb5 n ILE 106 Cb 0.00 -1.54 0.40 0.00 0.54 0.00 0.00 39.64 39.04 1bb5 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bb5 n ARG 107 N -1.88 0.40 0.23 9.51 1.74 -0.89 -2.21 116.66 123.56 1bb5 n ARG 107 Ca -0.00 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 1bb5 n ARG 107 Cb 0.05 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.52 1bb5 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb5 h ALA 108 N 2.83 1.08 -2.39 7.54 0.00 -1.58 -3.40 119.26 123.34 1bb5 h ALA 108 Ca 0.00 -0.18 -0.70 0.00 0.00 0.00 0.00 54.91 54.03 1bb5 h ALA 108 Cb 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.58 1bb5 h ALA 108 CO 0.00 0.25 -0.26 -1.58 0.00 0.00 0.00 179.25 177.66 1bb5 s TRP 109 N -3.79 3.19 0.28 0.00 0.51 -0.94 -4.96 118.94 113.23 1bb5 s TRP 109 Ca -0.00 -0.46 -0.02 0.00 -2.12 0.00 0.00 56.10 53.50 1bb5 s TRP 109 Cb 0.11 -2.86 0.40 0.00 -0.81 0.00 0.00 33.47 30.31 1bb5 s TRP 109 CO 0.62 -0.69 1.88 0.28 -0.51 0.00 0.00 176.95 178.52 1bb5 h VAL 110 N 5.71 1.22 -0.68 4.03 2.07 -1.88 -2.54 116.25 124.18 1bb5 h VAL 110 Ca -0.27 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1bb5 h VAL 110 Cb 1.11 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1bb5 h VAL 110 CO 0.79 0.27 0.26 0.00 0.02 0.00 0.00 177.57 178.91 1bb5 h ALA 111 N 1.38 0.88 -0.74 1.67 0.00 -1.92 -1.08 119.26 119.45 1bb5 h ALA 111 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1bb5 h ALA 111 Cb 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1bb5 h ALA 111 CO -0.03 0.51 0.32 2.35 0.00 0.00 0.00 179.25 182.40 1bb5 h TRP 112 N 0.96 1.10 -0.66 0.00 7.01 -1.80 0.79 115.95 123.35 1bb5 h TRP 112 Ca 0.22 -0.07 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 1bb5 h TRP 112 Cb 0.22 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 1bb5 h TRP 112 CO 0.02 0.83 0.21 -0.09 -2.79 0.00 0.00 178.44 176.61 1bb5 h ARG 113 N 1.05 1.00 0.09 2.65 2.43 -1.06 0.31 114.38 120.85 1bb5 h ARG 113 Ca 0.25 -0.20 -0.26 0.00 -0.81 0.00 0.00 59.98 58.96 1bb5 h ARG 113 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1bb5 h ARG 113 CO -0.02 0.86 -1.24 -0.91 -1.51 0.00 0.00 179.97 177.14 1bb5 h ASN 114 N 0.97 0.31 -0.00 -3.80 2.35 -0.75 -3.35 115.58 111.32 1bb5 h ASN 114 Ca 0.22 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1bb5 h ASN 114 Cb 0.27 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1bb5 h ASN 114 CO -0.01 1.28 -0.03 0.54 -1.65 0.00 0.00 177.43 177.56 1bb5 n ARG 115 N -3.47 3.15 0.00 0.81 5.12 0.23 -4.88 116.66 117.63 1bb5 n ARG 115 Ca -0.08 -0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 1bb5 n ARG 115 Cb 1.01 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 1bb5 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bb5 n GLN 117 N -2.61 1.84 -0.91 0.00 7.27 0.62 -1.85 117.38 121.74 1bb5 n GLN 117 Ca 0.00 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1bb5 n GLN 117 Cb 0.46 -2.40 0.00 0.00 2.41 0.00 0.00 30.24 30.71 1bb5 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1bb5 n ASN 118 N 3.46 -3.02 -4.57 1.69 3.02 -1.26 -4.96 115.26 109.61 1bb5 n ASN 118 Ca 0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.49 1bb5 n ASN 118 Cb 0.26 -1.82 -0.09 0.00 -0.61 0.00 0.00 39.78 37.51 1bb5 n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bb5 s ARG 119 N -0.88 1.99 0.02 3.52 0.52 -0.77 -5.09 118.95 118.26 1bb5 s ARG 119 Ca 0.00 -1.67 -0.30 0.00 -0.52 0.00 0.00 55.73 53.24 1bb5 s ARG 119 Cb 0.00 -1.93 -0.07 0.00 0.52 0.00 0.00 34.95 33.48 1bb5 s ARG 119 CO 0.00 0.27 1.52 0.34 0.02 0.00 0.00 175.30 177.45 1bb5 s ASP 120 N -3.62 6.74 -0.11 0.23 -1.08 -1.26 -4.88 116.67 112.68 1bb5 s ASP 120 Ca 0.32 2.26 0.17 0.00 -0.52 0.00 0.00 52.55 54.78 1bb5 s ASP 120 Cb -0.04 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 39.12 1bb5 s ASP 120 CO 0.18 -0.80 1.13 1.33 0.52 0.00 0.00 175.17 177.52 1bb5 n VAL 121 N 4.77 1.70 -0.08 1.11 0.24 -1.26 -4.75 118.33 120.07 1bb5 n VAL 121 Ca 0.15 -2.03 0.01 0.00 -2.04 0.00 0.00 64.34 60.42 1bb5 n VAL 121 Cb 0.42 -0.14 0.30 0.00 -1.47 0.00 0.00 33.84 32.95 1bb5 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1bb5 h ARG 122 N 0.00 0.70 -0.84 7.34 -0.00 -1.93 -2.88 114.38 116.77 1bb5 h ARG 122 Ca 0.00 -0.09 0.14 0.00 -0.50 0.00 0.00 59.98 59.53 1bb5 h ARG 122 Cb 1.01 -0.13 -0.06 0.00 0.00 0.00 0.00 29.97 30.78 1bb5 h ARG 122 CO 0.00 0.56 0.55 -0.56 0.00 0.00 0.00 179.97 180.52 1bb5 h GLN 123 N 0.70 0.58 0.00 0.04 3.07 -1.96 -1.79 115.11 115.75 1bb5 h GLN 123 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1bb5 h GLN 123 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1bb5 h GLN 123 CO -0.02 0.39 0.00 0.66 0.09 0.00 0.00 178.83 179.94 1bb5 n TYR 124 N -4.53 0.38 -0.14 0.06 4.01 -1.09 -2.84 117.16 113.01 1bb5 n TYR 124 Ca 0.16 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 1bb5 n TYR 124 Cb 0.48 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 1bb5 n TYR 124 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1bb5 n VAL 125 N -1.86 0.00 -1.68 -0.72 0.24 -0.85 -4.90 118.33 108.56 1bb5 n VAL 125 Ca 0.02 -0.31 -0.44 0.00 -2.04 0.00 0.00 64.34 61.56 1bb5 n VAL 125 Cb 0.14 1.14 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 1bb5 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bb5 n GLN 126 N -0.39 2.52 -0.73 7.34 1.13 -0.73 -2.16 117.38 124.35 1bb5 n GLN 126 Ca 0.00 0.91 0.00 0.00 -1.94 0.00 0.00 57.00 55.97 1bb5 n GLN 126 Cb 0.03 -2.77 0.00 0.00 0.11 0.00 0.00 30.24 27.61 1bb5 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bb5 n GLY 127 N 4.07 0.79 0.01 1.08 0.00 -1.26 -4.92 105.19 104.97 1bb5 n GLY 127 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1bb5 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb5 n GLY 129 N 1.49 -0.47 0.18 0.00 0.00 -1.26 -4.94 105.19 100.19 1bb5 n GLY 129 Ca 0.05 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1bb5 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65