#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvx s VAL 2 N 0.00 4.74 0.56 3.15 1.01 -1.26 -1.23 120.40 127.37 1bvx s VAL 2 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 1bvx s VAL 2 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1bvx s VAL 2 CO 0.00 -0.21 1.04 -0.36 0.00 0.00 0.00 175.10 175.57 1bvx s PHE 3 N 1.59 3.07 0.42 5.22 0.40 -0.12 -4.99 117.98 123.58 1bvx s PHE 3 Ca 0.03 1.52 -0.03 0.00 -0.60 0.00 0.00 56.93 57.84 1bvx s PHE 3 Cb -0.19 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.32 1bvx s PHE 3 CO 0.07 -0.92 0.69 0.20 0.70 0.00 0.00 175.22 175.96 1bvx s GLY 4 N -2.67 1.49 0.13 4.36 0.00 -1.26 -4.85 107.32 104.51 1bvx s GLY 4 Ca 0.63 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 1bvx s GLY 4 CO 0.32 -0.51 1.61 -0.09 0.00 0.00 0.00 173.10 174.44 1bvx h ARG 5 N 0.56 -0.44 -0.13 2.90 2.43 -1.97 -1.57 114.38 116.16 1bvx h ARG 5 Ca -0.48 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 1bvx h ARG 5 Cb 1.21 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1bvx h ARG 5 CO 0.62 -0.29 -0.52 0.00 -1.51 0.00 0.00 179.97 178.27 1bvx h GLU 7 N 0.27 0.72 -0.30 0.00 4.81 -1.91 -0.47 114.58 117.70 1bvx h GLU 7 Ca 0.01 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1bvx h GLU 7 Cb 1.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1bvx h GLU 7 CO 0.09 0.50 -0.20 1.25 -0.73 0.00 0.00 179.01 179.91 1bvx h LEU 8 N 0.73 0.70 -0.40 1.64 5.85 -1.19 -1.68 115.31 120.95 1bvx h LEU 8 Ca 0.20 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1bvx h LEU 8 Cb -0.05 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1bvx h LEU 8 CO -0.04 0.98 0.03 0.00 -0.34 0.00 0.00 178.44 179.07 1bvx h ALA 9 N 0.74 0.40 -0.16 1.25 0.00 -1.09 0.66 119.26 121.04 1bvx h ALA 9 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bvx h ALA 9 Cb 0.75 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bvx h ALA 9 CO 0.06 -0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.04 1bvx h ALA 10 N 1.34 0.21 -0.70 0.00 0.00 -0.99 0.28 119.26 119.39 1bvx h ALA 10 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1bvx h ALA 10 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1bvx h ALA 10 CO -0.31 -0.31 0.22 0.00 0.00 0.00 0.00 179.25 178.85 1bvx h ALA 11 N 1.06 1.07 -0.47 0.00 0.00 -0.91 -1.45 119.26 118.57 1bvx h ALA 11 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1bvx h ALA 11 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1bvx h ALA 11 CO -0.02 0.63 -0.15 0.52 0.00 0.00 0.00 179.25 180.24 1bvx h MET 12 N 1.03 0.93 -0.44 0.00 2.86 -0.59 -2.24 114.93 116.47 1bvx h MET 12 Ca 0.23 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1bvx h MET 12 Cb 0.29 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1bvx h MET 12 CO -0.01 1.03 0.28 -0.22 1.06 0.00 0.00 176.91 179.05 1bvx h LYS 13 N 0.77 0.55 0.00 1.72 3.64 -0.66 -1.42 116.57 121.17 1bvx h LYS 13 Ca 0.11 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1bvx h LYS 13 Cb 0.71 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1bvx h LYS 13 CO 0.05 0.37 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.41 1bvx h ARG 14 N 0.57 0.00 -0.60 1.90 2.43 -1.10 -1.55 114.38 116.03 1bvx h ARG 14 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1bvx h ARG 14 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1bvx h ARG 14 CO -0.05 0.10 0.00 0.72 -1.51 0.00 0.00 179.97 179.23 1bvx n HIS 15 N -4.18 0.77 -1.12 2.20 8.25 -0.59 -4.91 115.22 115.64 1bvx n HIS 15 Ca -0.03 -0.30 -0.04 0.00 -0.26 0.00 0.00 57.72 57.09 1bvx n HIS 15 Cb 0.18 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 1bvx n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bvx n GLY 16 N 0.66 0.69 0.17 -1.41 0.00 -0.58 -4.94 105.19 99.78 1bvx n GLY 16 Ca 0.13 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1bvx n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bvx h LEU 17 N 0.00 0.00 -9.11 0.99 3.38 -1.55 -3.39 115.31 105.63 1bvx h LEU 17 Ca -0.08 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.33 1bvx h LEU 17 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1bvx h LEU 17 CO 0.12 0.22 1.26 -0.62 0.09 0.00 0.00 178.44 179.50 1bvx s ASP 18 N -6.21 6.15 -0.41 -0.43 2.15 -1.26 -1.97 116.67 114.69 1bvx s ASP 18 Ca 0.05 1.98 0.00 0.00 0.43 0.00 0.00 52.55 55.00 1bvx s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1bvx s ASP 18 CO 0.72 -1.39 0.00 0.59 -0.17 0.00 0.00 175.17 174.91 1bvx n ASN 19 N 9.09 -4.13 -4.67 -0.34 3.02 -0.46 -4.90 115.26 112.88 1bvx n ASN 19 Ca 0.22 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 1bvx n ASN 19 Cb 0.44 -1.97 -0.03 0.00 -0.61 0.00 0.00 39.78 37.61 1bvx n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bvx s TYR 20 N -1.92 1.93 -1.81 3.10 5.04 -0.83 -1.44 117.35 121.42 1bvx s TYR 20 Ca 0.00 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1bvx s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1bvx s TYR 20 CO 0.00 -4.23 0.00 0.54 -1.34 0.00 0.00 175.55 170.52 1bvx n ARG 21 N 6.84 -1.63 -0.67 4.97 5.12 -1.26 -1.83 116.66 128.20 1bvx n ARG 21 Ca 0.17 1.03 0.00 0.00 -1.93 0.00 0.00 57.85 57.12 1bvx n ARG 21 Cb 0.42 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 26.07 1bvx n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bvx n GLY 22 N -0.96 0.90 3.52 -0.13 0.00 -0.52 -5.03 105.19 102.97 1bvx n GLY 22 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1bvx n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bvx s TYR 23 N -3.37 3.17 0.94 1.61 2.02 -0.76 -4.90 117.35 116.06 1bvx s TYR 23 Ca 0.00 -0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.47 1bvx s TYR 23 Cb 0.00 -2.91 0.16 0.00 -0.40 0.00 0.00 41.96 38.80 1bvx s TYR 23 CO 0.00 -0.63 1.13 -1.13 -1.57 0.00 0.00 175.55 173.35 1bvx n SER 24 N 5.67 0.18 -0.25 2.29 3.41 -1.26 -1.35 113.62 122.31 1bvx n SER 24 Ca -0.06 0.38 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 1bvx n SER 24 Cb 0.48 -1.46 0.37 0.00 -0.26 0.00 0.00 64.21 63.33 1bvx n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bvx h LEU 25 N -1.96 0.67 -1.78 1.04 5.85 -1.90 -1.20 115.31 116.03 1bvx h LEU 25 Ca -0.44 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.40 1bvx h LEU 25 Cb 1.27 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1bvx h LEU 25 CO 0.41 0.36 0.33 1.23 -0.34 0.00 0.00 178.44 180.44 1bvx h GLY 26 N 0.72 0.35 0.93 3.75 0.00 -1.91 -2.27 103.07 104.65 1bvx h GLY 26 Ca 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 1bvx h GLY 26 CO -0.18 0.07 0.06 3.43 0.00 0.00 0.00 176.54 179.91 1bvx h ASN 27 N 0.25 0.62 -0.42 0.19 2.35 -1.45 -1.53 115.58 115.58 1bvx h ASN 27 Ca 0.23 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1bvx h ASN 27 Cb 0.56 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1bvx h ASN 27 CO -0.05 0.73 -0.06 -0.50 -1.65 0.00 0.00 177.43 175.90 1bvx h TRP 28 N 0.49 0.87 -0.49 1.19 4.06 -1.51 -0.70 115.95 119.87 1bvx h TRP 28 Ca 0.12 -0.17 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 1bvx h TRP 28 Cb 0.37 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1bvx h TRP 28 CO 0.03 0.88 0.02 0.28 -3.56 0.00 0.00 178.44 176.08 1bvx h VAL 29 N 0.61 1.26 -0.36 1.49 2.07 -1.44 -0.44 116.25 119.44 1bvx h VAL 29 Ca 0.11 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1bvx h VAL 29 Cb 0.57 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1bvx h VAL 29 CO 0.03 0.36 0.20 0.00 0.02 0.00 0.00 177.57 178.18 1bvx h ALA 31 N 1.05 0.45 -0.62 0.00 0.00 -0.94 -2.12 119.26 117.08 1bvx h ALA 31 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1bvx h ALA 31 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1bvx h ALA 31 CO -0.02 -0.06 0.41 0.00 0.00 0.00 0.00 179.25 179.57 1bvx h ALA 32 N 1.10 0.79 -0.08 0.00 0.00 -0.87 0.17 119.26 120.37 1bvx h ALA 32 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1bvx h ALA 32 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1bvx h ALA 32 CO -0.02 0.20 -0.10 -0.22 0.00 0.00 0.00 179.25 179.10 1bvx h LYS 33 N 0.82 -0.14 0.00 0.00 1.63 -0.70 -1.27 116.57 116.91 1bvx h LYS 33 Ca 0.23 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1bvx h LYS 33 Cb -0.07 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1bvx h LYS 33 CO -0.06 -0.09 -0.12 0.74 -3.45 0.00 0.00 179.45 176.47 1bvx h PHE 34 N -0.14 0.00 0.21 1.91 0.04 -1.18 -0.01 116.94 117.77 1bvx h PHE 34 Ca 0.07 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.49 1bvx h PHE 34 Cb 0.24 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.40 1bvx h PHE 34 CO -0.21 0.00 -1.65 0.93 -0.60 0.00 0.00 178.31 176.78 1bvx h GLU 35 N 0.00 0.43 0.00 1.51 4.39 -0.45 -3.43 114.58 117.04 1bvx h GLU 35 Ca 0.00 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.96 1bvx h GLU 35 Cb 0.95 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1bvx h GLU 35 CO 0.00 1.35 0.00 -1.13 -1.16 0.00 0.00 179.01 178.07 1bvx n SER 36 N -3.62 0.14 -2.96 1.42 3.41 -0.50 -4.83 113.62 106.68 1bvx n SER 36 Ca -0.22 -0.94 -0.21 0.00 -0.26 0.00 0.00 58.87 57.24 1bvx n SER 36 Cb 1.08 0.01 0.05 0.00 -0.26 0.00 0.00 64.21 65.09 1bvx n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bvx n ASN 37 N -0.01 -5.83 -0.68 4.04 5.15 -0.02 -2.25 115.26 115.66 1bvx n ASN 37 Ca 0.00 -0.34 -0.09 0.00 -0.60 0.00 0.00 54.58 53.55 1bvx n ASN 37 Cb 0.20 -4.58 -0.04 0.00 -0.53 0.00 0.00 39.78 34.83 1bvx n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bvx n PHE 38 N -4.55 0.00 -3.46 1.20 3.72 -1.21 -4.84 117.46 108.33 1bvx n PHE 38 Ca -0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.93 1bvx n PHE 38 Cb 0.59 -2.08 -0.10 0.00 -0.94 0.00 0.00 39.48 36.95 1bvx n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bvx s ASN 39 N -2.53 6.14 0.55 4.37 2.47 -0.96 -0.94 114.94 124.04 1bvx s ASN 39 Ca 0.00 -0.23 0.32 0.00 0.42 0.00 0.00 52.86 53.37 1bvx s ASN 39 Cb 0.00 -2.17 1.61 0.00 -1.45 0.00 0.00 41.25 39.24 1bvx s ASN 39 CO 0.00 -0.27 2.11 0.71 -3.72 0.00 0.00 177.10 175.93 1bvx h THR 40 N 5.50 0.35 -0.03 -5.21 1.35 -1.48 -2.99 112.91 110.40 1bvx h THR 40 Ca -0.31 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1bvx h THR 40 Cb 1.15 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1bvx h THR 40 CO 0.66 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 1bvx n GLN 41 N -3.43 1.61 -1.85 4.72 6.02 -1.26 -3.96 117.38 119.23 1bvx n GLN 41 Ca -0.02 -0.89 -0.41 0.00 -0.01 0.00 0.00 57.00 55.67 1bvx n GLN 41 Cb 0.22 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 1bvx n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bvx s ALA 42 N -1.97 3.70 0.02 -1.58 0.00 -1.13 -4.78 121.76 116.02 1bvx s ALA 42 Ca 0.38 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.85 1bvx s ALA 42 Cb 0.20 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1bvx s ALA 42 CO 0.33 -0.92 -0.04 0.95 0.00 0.00 0.00 175.76 176.07 1bvx s THR 43 N -0.08 0.27 -0.10 0.00 -4.23 -1.26 -0.84 115.64 109.40 1bvx s THR 43 Ca 0.61 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1bvx s THR 43 Cb -0.46 -0.34 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1bvx s THR 43 CO 0.48 -0.28 0.25 0.20 -0.54 0.00 0.00 174.62 174.72 1bvx s ASN 44 N -1.04 -0.26 0.09 3.99 -0.87 -0.68 -4.97 114.94 111.21 1bvx s ASN 44 Ca -0.09 0.52 -0.22 0.00 -1.57 0.00 0.00 52.86 51.51 1bvx s ASN 44 Cb -0.07 0.42 -0.07 0.00 -0.02 0.00 0.00 41.25 41.51 1bvx s ASN 44 CO -0.00 -0.15 0.66 -0.60 -2.57 0.00 0.00 177.10 174.43 1bvx s ARG 45 N 1.10 4.36 0.20 -0.60 6.06 -1.26 -0.35 118.95 128.46 1bvx s ARG 45 Ca -0.08 0.91 0.05 0.00 -2.50 0.00 0.00 55.73 54.11 1bvx s ARG 45 Cb -0.09 -3.27 -0.04 0.00 0.06 0.00 0.00 34.95 31.62 1bvx s ARG 45 CO -0.07 0.56 0.23 -0.80 -2.50 0.00 0.00 175.30 172.72 1bvx s ASN 46 N -0.93 5.85 0.47 -2.12 -0.87 0.39 -4.97 114.94 112.76 1bvx s ASN 46 Ca 0.32 -0.07 0.17 0.00 -1.57 0.00 0.00 52.86 51.71 1bvx s ASN 46 Cb -0.21 -1.61 1.15 0.00 -0.02 0.00 0.00 41.25 40.57 1bvx s ASN 46 CO 0.22 0.00 2.02 0.71 -2.57 0.00 0.00 177.10 177.48 1bvx h THR 47 N 1.61 0.89 0.00 1.60 1.35 -1.98 -1.00 112.91 115.38 1bvx h THR 47 Ca -0.49 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1bvx h THR 47 Cb 1.22 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1bvx h THR 47 CO 0.63 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1bvx n ASP 48 N -4.46 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.09 1bvx n ASP 48 Ca 0.07 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 1bvx n ASP 48 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1bvx n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bvx n GLY 49 N 0.53 1.71 3.88 6.12 0.00 -0.38 -5.04 105.19 112.02 1bvx n GLY 49 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1bvx n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvx s SER 50 N -2.05 4.60 0.03 1.61 1.04 -1.26 -4.76 113.70 112.92 1bvx s SER 50 Ca 0.00 0.90 0.02 0.00 0.48 0.00 0.00 55.95 57.36 1bvx s SER 50 Cb 0.00 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.62 1bvx s SER 50 CO 0.00 -1.86 -0.08 -0.89 0.98 0.00 0.00 173.24 171.39 1bvx s THR 51 N -3.48 0.56 -0.15 2.02 2.01 -1.26 -0.46 115.64 114.88 1bvx s THR 51 Ca 0.61 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 1bvx s THR 51 Cb -0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1bvx s THR 51 CO 0.50 -0.21 0.09 -1.81 -0.69 0.00 0.00 174.62 172.50 1bvx s ASP 52 N -1.15 5.93 0.00 3.53 1.01 0.53 -1.00 116.67 125.51 1bvx s ASP 52 Ca -0.06 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.51 1bvx s ASP 52 Cb -0.08 -1.95 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 1bvx s ASP 52 CO 0.00 0.28 -0.19 -0.31 0.21 0.00 0.00 175.17 175.17 1bvx s TYR 53 N -0.26 1.67 0.01 4.23 1.51 0.15 -1.68 117.35 122.97 1bvx s TYR 53 Ca 0.09 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1bvx s TYR 53 Cb -0.12 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1bvx s TYR 53 CO 0.01 0.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1bvx n GLY 54 N 2.40 -2.13 0.37 0.71 0.00 -0.02 -1.53 105.19 104.99 1bvx n GLY 54 Ca -0.16 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1bvx n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bvx h ILE 55 N -0.03 0.84 -0.46 -0.61 2.10 -1.69 -0.84 117.51 116.82 1bvx h ILE 55 Ca 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1bvx h ILE 55 Cb 0.03 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 36.11 1bvx h ILE 55 CO 0.00 0.08 0.00 0.18 -1.08 0.00 0.00 178.15 177.33 1bvx n LEU 56 N -4.48 3.61 -4.00 2.19 4.77 -1.26 -3.97 117.00 113.85 1bvx n LEU 56 Ca 0.13 -2.25 -0.33 0.00 -0.03 0.00 0.00 56.01 53.53 1bvx n LEU 56 Cb 0.46 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1bvx n LEU 56 CO 0.33 0.78 -0.24 0.00 -1.33 0.00 0.00 177.39 176.93 1bvx n GLN 57 N 0.66 -1.61 -2.42 3.23 1.13 -0.32 -4.91 117.38 113.13 1bvx n GLN 57 Ca 0.18 0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 55.10 1bvx n GLN 57 Cb 0.62 -3.76 -0.04 0.00 0.11 0.00 0.00 30.24 27.18 1bvx n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bvx s ILE 58 N -3.85 3.72 0.09 5.09 1.01 -0.58 -4.33 121.20 122.34 1bvx s ILE 58 Ca 0.22 1.43 -0.25 0.00 0.00 0.00 0.00 60.65 62.05 1bvx s ILE 58 Cb -0.10 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 1bvx s ILE 58 CO 0.93 0.22 0.75 0.21 0.00 0.00 0.00 174.94 177.05 1bvx s ASN 59 N 0.17 7.26 0.17 3.58 3.84 -1.26 -0.68 114.94 128.03 1bvx s ASN 59 Ca 0.52 1.50 0.23 0.00 0.21 0.00 0.00 52.86 55.33 1bvx s ASN 59 Cb -0.31 -2.47 0.90 0.00 -0.55 0.00 0.00 41.25 38.82 1bvx s ASN 59 CO 0.35 0.10 1.71 -1.54 -2.79 0.00 0.00 177.10 174.94 1bvx n SER 60 N 2.30 0.52 -0.06 -4.21 3.41 -0.17 -1.82 113.62 113.59 1bvx n SER 60 Ca -0.04 0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 59.11 1bvx n SER 60 Cb 0.50 -0.72 0.16 0.00 -0.26 0.00 0.00 64.21 63.89 1bvx n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bvx h ARG 61 N 0.00 0.68 0.00 4.33 9.65 -1.84 -3.40 114.38 123.80 1bvx h ARG 61 Ca 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1bvx h ARG 61 Cb 0.47 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1bvx h ARG 61 CO 0.00 0.79 -0.85 0.91 2.80 0.00 0.00 179.97 183.62 1bvx n TRP 62 N -4.16 0.00 -0.08 2.20 7.02 -1.20 -1.29 117.44 119.92 1bvx n TRP 62 Ca 0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.41 1bvx n TRP 62 Cb 0.36 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.10 1bvx n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1bvx n TRP 63 N -1.91 0.15 -4.04 -5.99 7.02 -0.75 -0.86 117.44 111.05 1bvx n TRP 63 Ca 0.00 0.05 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1bvx n TRP 63 Cb 0.42 -0.99 -0.09 0.00 -2.42 0.00 0.00 31.31 28.23 1bvx n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bvx s ASN 65 N -2.96 5.53 0.00 0.00 2.47 -0.67 -4.53 114.94 114.78 1bvx s ASN 65 Ca 0.15 -0.08 0.03 0.00 0.42 0.00 0.00 52.86 53.38 1bvx s ASN 65 Cb 0.06 -2.00 0.07 0.00 -1.45 0.00 0.00 41.25 37.93 1bvx s ASN 65 CO -0.04 0.00 0.89 -0.90 -3.72 0.00 0.00 177.10 173.33 1bvx n ASP 66 N 4.71 1.89 -0.11 -4.21 5.68 -1.26 -1.13 116.55 122.11 1bvx n ASP 66 Ca -0.15 -1.67 -0.01 0.00 -0.50 0.00 0.00 54.79 52.45 1bvx n ASP 66 Cb 0.52 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 1bvx n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bvx n GLY 67 N -0.05 0.36 0.39 6.12 0.00 -1.26 -4.79 105.19 105.96 1bvx n GLY 67 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bvx n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bvx n ARG 68 N -1.09 0.00 -3.91 1.61 1.85 -1.26 -4.99 116.66 108.88 1bvx n ARG 68 Ca -0.01 -0.72 -0.31 0.00 -1.00 0.00 0.00 57.85 55.80 1bvx n ARG 68 Cb 0.28 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 31.15 1bvx n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bvx s THR 69 N 0.00 2.80 0.25 8.89 2.01 -1.26 -4.90 115.64 123.42 1bvx s THR 69 Ca 0.00 -3.26 -0.30 0.00 0.31 0.00 0.00 61.69 58.43 1bvx s THR 69 Cb 0.00 -2.91 -0.14 0.00 0.01 0.00 0.00 72.50 69.46 1bvx s THR 69 CO 0.00 -0.81 1.27 -2.65 -0.69 0.00 0.00 174.62 171.74 1bvx n PRO 70 N 3.17 1.75 -2.01 4.92 -0.02 -1.26 -2.67 135.00 138.88 1bvx n PRO 70 Ca 0.06 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1bvx n PRO 70 Cb 0.33 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1bvx n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bvx n GLY 71 N 1.75 0.53 3.89 -1.23 0.00 -1.26 -4.99 105.19 103.88 1bvx n GLY 71 Ca 0.11 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1bvx n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvx s SER 72 N -2.43 6.48 0.09 1.61 1.04 -1.09 -5.04 113.70 114.37 1bvx s SER 72 Ca 0.00 0.86 0.01 0.00 0.48 0.00 0.00 55.95 57.31 1bvx s SER 72 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1bvx s SER 72 CO 0.00 -0.25 0.20 -0.13 0.98 0.00 0.00 173.24 174.04 1bvx s ARG 73 N -3.59 3.32 -0.72 4.02 0.52 -0.41 -4.98 118.95 117.11 1bvx s ARG 73 Ca 0.47 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 1bvx s ARG 73 Cb -0.11 -2.95 0.32 0.00 0.52 0.00 0.00 34.95 32.73 1bvx s ARG 73 CO 0.30 0.57 1.13 -1.71 0.02 0.00 0.00 175.30 175.61 1bvx n ASN 74 N 0.06 5.08 -0.02 0.23 5.15 -1.24 -3.45 115.26 121.08 1bvx n ASN 74 Ca -0.06 -3.63 0.22 0.00 -0.60 0.00 0.00 54.58 50.51 1bvx n ASN 74 Cb 0.52 -0.75 0.71 0.00 -0.53 0.00 0.00 39.78 39.73 1bvx n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bvx h LEU 75 N 3.61 0.00 -0.71 1.20 3.38 -1.06 0.13 115.31 121.86 1bvx h LEU 75 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1bvx h LEU 75 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1bvx h LEU 75 CO 0.93 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 179.19 1bvx n ASN 77 N -0.35 -3.38 -3.70 0.00 3.02 0.46 -5.00 115.26 106.32 1bvx n ASN 77 Ca 0.12 -0.88 -0.13 0.00 -0.03 0.00 0.00 54.58 53.66 1bvx n ASN 77 Cb 0.38 -3.96 -0.07 0.00 -0.61 0.00 0.00 39.78 35.52 1bvx n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1bvx s ILE 78 N -3.57 0.06 0.35 2.41 -4.36 -1.26 -5.08 121.20 109.74 1bvx s ILE 78 Ca 0.23 -0.47 -0.27 0.00 -0.26 0.00 0.00 60.65 59.89 1bvx s ILE 78 Cb -0.07 -0.86 -0.09 0.00 1.25 0.00 0.00 42.46 42.70 1bvx s ILE 78 CO 0.82 -0.26 1.10 -2.84 0.24 0.00 0.00 174.94 174.01 1bvx s PRO 79 N -2.05 4.33 0.58 0.37 0.02 -1.26 -1.67 135.00 135.32 1bvx s PRO 79 Ca -0.08 1.72 0.28 0.00 0.02 0.00 0.00 61.00 62.94 1bvx s PRO 79 Cb -0.02 -2.85 1.65 0.00 0.02 0.00 0.00 34.50 33.31 1bvx s PRO 79 CO 0.00 -0.04 2.15 0.00 -0.33 0.00 0.00 177.00 178.78 1bvx h SER 81 N 0.00 0.08 0.22 0.00 4.64 -1.91 -1.27 113.55 115.32 1bvx h SER 81 Ca 0.06 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1bvx h SER 81 Cb 0.32 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1bvx h SER 81 CO -0.00 0.11 -0.05 0.00 -0.87 0.00 0.00 176.83 176.01 1bvx h ALA 82 N 1.91 1.28 -0.00 5.18 0.00 -1.73 -1.77 119.26 124.13 1bvx h ALA 82 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bvx h ALA 82 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bvx h ALA 82 CO 0.00 0.06 -0.00 1.28 0.00 0.00 0.00 179.25 180.59 1bvx n LEU 83 N -3.55 0.00 -0.82 0.00 4.77 -0.48 -3.21 117.00 113.71 1bvx n LEU 83 Ca -0.02 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1bvx n LEU 83 Cb 0.16 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1bvx n LEU 83 CO 0.27 0.00 0.57 0.18 -1.33 0.00 0.00 177.39 177.08 1bvx n LEU 84 N -1.16 2.70 -4.70 2.23 4.77 -0.67 -3.98 117.00 116.19 1bvx n LEU 84 Ca 0.18 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.86 1bvx n LEU 84 Cb 0.19 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1bvx n LEU 84 CO 0.21 0.46 0.70 -0.55 -1.33 0.00 0.00 177.39 176.88 1bvx s SER 85 N -1.72 3.35 0.47 -1.43 0.15 -1.20 -4.16 113.70 109.17 1bvx s SER 85 Ca 0.24 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.29 1bvx s SER 85 Cb 0.17 -2.56 1.01 0.00 -1.71 0.00 0.00 66.02 62.93 1bvx s SER 85 CO 0.26 -2.82 1.85 0.28 1.20 0.00 0.00 173.24 174.02 1bvx h SER 86 N -1.58 0.00 -3.56 5.45 0.02 -1.94 -3.40 113.55 108.54 1bvx h SER 86 Ca -0.44 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.89 1bvx h SER 86 Cb 1.26 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.67 1bvx h SER 86 CO 0.44 0.14 0.09 -0.62 -1.14 0.00 0.00 176.83 175.74 1bvx s ASP 87 N -6.03 6.45 0.00 3.07 3.68 -1.26 -4.95 116.67 117.64 1bvx s ASP 87 Ca 0.01 0.36 0.29 0.00 2.13 0.00 0.00 52.55 55.34 1bvx s ASP 87 Cb 0.09 -2.31 1.73 0.00 -1.45 0.00 0.00 42.92 40.98 1bvx s ASP 87 CO 0.61 -0.45 2.10 2.30 0.13 0.00 0.00 175.17 179.86 1bvx n ILE 88 N 5.37 0.00 -0.16 4.11 -5.35 -1.26 -4.31 119.36 117.76 1bvx n ILE 88 Ca -0.02 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.43 1bvx n ILE 88 Cb 0.49 -0.48 0.03 0.00 -1.74 0.00 0.00 39.64 37.94 1bvx n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1bvx h THR 89 N 0.00 0.49 -0.77 7.28 2.02 -1.95 0.47 112.91 120.45 1bvx h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1bvx h THR 89 Cb 0.00 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1bvx h THR 89 CO 0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 1bvx h ALA 90 N 1.48 1.08 -0.54 6.16 0.00 -1.86 -0.28 119.26 125.30 1bvx h ALA 90 Ca 0.24 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bvx h ALA 90 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bvx h ALA 90 CO -0.51 0.65 0.10 0.77 0.00 0.00 0.00 179.25 180.25 1bvx h SER 91 N 1.12 0.85 -0.00 0.00 0.02 -1.59 -2.10 113.55 111.84 1bvx h SER 91 Ca 0.26 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bvx h SER 91 Cb 0.22 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1bvx h SER 91 CO -0.02 0.89 0.00 0.58 -1.14 0.00 0.00 176.83 177.14 1bvx h VAL 92 N 0.78 1.17 -0.44 2.27 2.07 -0.42 -0.33 116.25 121.35 1bvx h VAL 92 Ca 0.17 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1bvx h VAL 92 Cb 0.39 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1bvx h VAL 92 CO 0.01 0.13 0.18 0.78 0.02 0.00 0.00 177.57 178.68 1bvx h ASN 93 N -0.20 0.56 -0.12 0.57 2.35 -1.04 -1.54 115.58 116.16 1bvx h ASN 93 Ca 0.00 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.49 1bvx h ASN 93 Cb 0.21 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.45 1bvx h ASN 93 CO -0.00 0.51 -0.73 0.00 -1.65 0.00 0.00 177.43 175.56 1bvx h ALA 95 N 0.50 1.44 -0.41 0.00 0.00 -0.59 -1.03 119.26 119.17 1bvx h ALA 95 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1bvx h ALA 95 Cb 1.37 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1bvx h ALA 95 CO 0.15 0.50 0.20 0.87 0.00 0.00 0.00 179.25 180.97 1bvx h LYS 96 N 1.09 0.56 -0.09 0.00 1.57 -1.27 0.56 116.57 118.99 1bvx h LYS 96 Ca 0.32 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 1bvx h LYS 96 Cb -0.06 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.14 1bvx h LYS 96 CO -0.08 0.43 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.46 1bvx h LYS 97 N 0.56 0.54 0.21 3.15 3.64 -1.17 -2.94 116.57 120.56 1bvx h LYS 97 Ca 0.14 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1bvx h LYS 97 Cb 0.05 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1bvx h LYS 97 CO -0.02 1.09 -0.10 0.82 -2.27 0.00 0.00 179.45 178.96 1bvx h ILE 98 N 0.14 0.80 0.00 2.00 2.04 -0.69 -2.54 117.51 119.26 1bvx h ILE 98 Ca -0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1bvx h ILE 98 Cb 1.21 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1bvx h ILE 98 CO 0.11 0.00 0.00 1.62 0.00 0.00 0.00 178.15 179.89 1bvx h VAL 99 N -0.29 0.00 -0.01 1.67 3.04 -1.00 -1.90 116.25 117.76 1bvx h VAL 99 Ca -0.03 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1bvx h VAL 99 Cb 0.22 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1bvx h VAL 99 CO 0.05 0.00 -0.33 -1.20 -1.01 0.00 0.00 177.57 175.08 1bvx n SER 100 N -3.05 0.95 -0.62 3.17 7.64 -0.98 -3.61 113.62 117.12 1bvx n SER 100 Ca -0.02 -0.78 0.01 0.00 1.01 0.00 0.00 58.87 59.10 1bvx n SER 100 Cb 0.16 0.19 0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1bvx n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bvx n ASP 101 N -0.82 1.45 0.00 6.43 3.85 -0.72 -4.89 116.55 121.85 1bvx n ASP 101 Ca 0.11 -2.09 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1bvx n ASP 101 Cb 0.35 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 1bvx n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1bvx n GLY 102 N 0.10 2.85 0.84 6.12 0.00 -1.26 -4.90 105.19 108.93 1bvx n GLY 102 Ca 0.03 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1bvx n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bvx n ASN 103 N 0.42 2.56 0.00 1.61 3.02 -1.26 -5.05 115.26 116.55 1bvx n ASN 103 Ca 0.00 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1bvx n ASN 103 Cb 0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1bvx n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bvx n GLY 104 N 1.31 1.75 0.00 7.41 0.00 -1.24 -2.36 105.19 112.07 1bvx n GLY 104 Ca 0.17 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1bvx n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bvx n MET 105 N 6.05 0.62 0.15 1.61 2.81 -1.26 -3.08 117.12 124.02 1bvx n MET 105 Ca 0.00 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1bvx n MET 105 Cb 0.00 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 31.56 1bvx n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1bvx n ASN 106 N -1.14 0.62 0.30 7.83 3.02 -0.99 -1.31 115.26 123.58 1bvx n ASN 106 Ca 0.17 0.72 0.17 0.00 -0.03 0.00 0.00 54.58 55.61 1bvx n ASN 106 Cb 0.15 -0.83 0.92 0.00 -0.61 0.00 0.00 39.78 39.41 1bvx n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bvx h ALA 107 N 2.11 1.18 -2.44 5.41 0.00 -1.70 -3.37 119.26 120.45 1bvx h ALA 107 Ca 0.00 -0.04 -0.73 0.00 0.00 0.00 0.00 54.91 54.14 1bvx h ALA 107 Cb 0.16 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.71 1bvx h ALA 107 CO 0.00 0.05 -0.38 -1.58 0.00 0.00 0.00 179.25 177.34 1bvx s TRP 108 N -4.17 3.26 0.23 0.00 0.51 -0.43 -4.98 118.94 113.37 1bvx s TRP 108 Ca -0.03 -0.95 -0.06 0.00 -2.12 0.00 0.00 56.10 52.94 1bvx s TRP 108 Cb 0.13 -2.99 0.40 0.00 -0.81 0.00 0.00 33.47 30.20 1bvx s TRP 108 CO 0.51 -0.76 1.73 0.28 -0.51 0.00 0.00 176.95 178.21 1bvx h VAL 109 N 5.78 0.69 -0.26 4.03 2.07 -1.85 -0.84 116.25 125.87 1bvx h VAL 109 Ca -0.27 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1bvx h VAL 109 Cb 1.11 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1bvx h VAL 109 CO 0.82 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 178.39 1bvx h ALA 110 N 1.51 1.35 -0.15 1.67 0.00 -1.93 -0.03 119.26 121.68 1bvx h ALA 110 Ca 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1bvx h ALA 110 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1bvx h ALA 110 CO -0.38 0.44 -0.00 2.35 0.00 0.00 0.00 179.25 181.66 1bvx h TRP 111 N 0.40 0.28 -0.72 0.00 7.01 -1.50 0.28 115.95 121.71 1bvx h TRP 111 Ca 0.08 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1bvx h TRP 111 Cb 0.42 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1bvx h TRP 111 CO 0.01 0.49 0.40 -0.09 -2.79 0.00 0.00 178.44 176.46 1bvx h ARG 112 N -0.00 0.99 0.00 2.65 2.43 -1.01 0.23 114.38 119.68 1bvx h ARG 112 Ca 0.04 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1bvx h ARG 112 Cb 0.38 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1bvx h ARG 112 CO 0.01 0.73 -0.67 -0.91 -1.51 0.00 0.00 179.97 177.63 1bvx h ASN 113 N 0.98 0.00 0.00 -3.80 2.35 -0.90 -3.37 115.58 110.84 1bvx h ASN 113 Ca 0.25 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1bvx h ASN 113 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1bvx h ASN 113 CO -0.04 0.01 -0.12 0.54 -1.65 0.00 0.00 177.43 176.16 1bvx n ARG 114 N -2.75 3.93 -0.02 0.81 1.74 0.97 -4.90 116.66 116.44 1bvx n ARG 114 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 1bvx n ARG 114 Cb 0.53 -0.41 -0.02 0.00 -1.02 0.00 0.00 32.46 31.55 1bvx n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bvx n LYS 116 N -2.78 1.65 -1.00 0.00 4.81 0.65 -1.45 118.16 120.04 1bvx n LYS 116 Ca -0.08 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1bvx n LYS 116 Cb 0.57 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1bvx n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bvx n GLY 117 N 3.52 0.46 3.90 3.14 0.00 -1.26 -4.95 105.19 110.01 1bvx n GLY 117 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1bvx n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bvx s THR 118 N -1.97 2.03 -1.08 2.61 -4.23 -0.53 -5.02 115.64 107.45 1bvx s THR 118 Ca 0.00 -1.40 -0.19 0.00 -1.18 0.00 0.00 61.69 58.92 1bvx s THR 118 Cb 0.00 -2.43 0.10 0.00 1.34 0.00 0.00 72.50 71.51 1bvx s THR 118 CO 0.00 0.00 1.41 -0.62 -0.54 0.00 0.00 174.62 174.87 1bvx s ASP 119 N -4.26 6.71 0.59 3.99 2.15 -1.26 -4.81 116.67 119.77 1bvx s ASP 119 Ca 0.42 -2.10 0.37 0.00 0.43 0.00 0.00 52.55 51.66 1bvx s ASP 119 Cb -0.03 -2.49 1.71 0.00 -0.30 0.00 0.00 42.92 41.81 1bvx s ASP 119 CO 0.25 -1.17 2.11 -0.37 -0.17 0.00 0.00 175.17 175.82 1bvx h VAL 120 N 5.89 0.03 0.00 1.11 -1.51 -1.90 -2.73 116.25 117.13 1bvx h VAL 120 Ca 0.26 -0.36 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1bvx h VAL 120 Cb 0.96 1.35 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1bvx h VAL 120 CO 1.31 0.01 -0.00 -0.61 -1.23 0.00 0.00 177.57 177.04 1bvx h GLN 121 N 0.00 0.00 -0.04 5.19 -0.00 -1.88 -1.23 115.11 117.15 1bvx h GLN 121 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1bvx h GLN 121 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.83 1bvx h GLN 121 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 178.83 178.87 1bvx h ALA 122 N 2.00 1.78 0.00 3.38 0.00 -1.88 -1.97 119.26 122.56 1bvx h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bvx h ALA 122 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bvx h ALA 122 CO 0.00 -0.05 0.00 -1.49 0.00 0.00 0.00 179.25 177.71 1bvx h TRP 123 N 0.00 0.00 -0.08 0.00 4.06 -1.44 -2.79 115.95 115.71 1bvx h TRP 123 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1bvx h TRP 123 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1bvx h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1bvx n ILE 124 N -2.62 0.37 -1.70 1.49 -5.35 -0.76 -4.82 119.36 105.97 1bvx n ILE 124 Ca 0.01 -0.68 -0.44 0.00 -0.27 0.00 0.00 62.75 61.37 1bvx n ILE 124 Cb 0.24 0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 39.01 1bvx n ILE 124 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1bvx n ARG 125 N 0.25 2.30 0.00 6.28 1.85 -1.05 -2.25 116.66 124.03 1bvx n ARG 125 Ca 0.05 0.82 0.00 0.00 -1.00 0.00 0.00 57.85 57.72 1bvx n ARG 125 Cb 0.23 -2.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.10 1bvx n ARG 125 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bvx n GLY 126 N 2.40 2.59 3.75 2.89 0.00 -1.26 -5.02 105.19 110.54 1bvx n GLY 126 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1bvx n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvx s ARG 128 N -0.59 3.26 0.00 0.00 3.52 -1.26 -5.12 118.95 118.75 1bvx s ARG 128 Ca 0.41 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1bvx s ARG 128 Cb -0.23 -4.13 0.02 0.00 -1.56 0.00 0.00 34.95 29.05 1bvx s ARG 128 CO 0.28 -1.82 0.60 1.28 -0.81 0.00 0.00 175.30 174.83