#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvm n LEU 2 N 0.00 0.95 -0.42 0.00 4.32 -1.26 -4.12 117.00 116.47 1bvm n LEU 2 Ca 0.00 -0.35 0.36 0.00 -0.02 0.00 0.00 56.01 56.00 1bvm n LEU 2 Cb 0.00 -0.02 0.69 0.00 -1.62 0.00 0.00 43.42 42.47 1bvm n LEU 2 CO 0.00 0.18 1.31 4.11 -1.22 0.00 0.00 177.39 181.77 1bvm h TRP 3 N 1.41 0.25 -0.67 -1.77 5.08 -1.98 0.95 115.95 119.21 1bvm h TRP 3 Ca 0.00 0.01 0.15 0.00 1.08 0.00 0.00 58.89 60.13 1bvm h TRP 3 Cb 0.30 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 26.36 1bvm h TRP 3 CO 0.02 -0.03 0.46 1.96 -1.28 0.00 0.00 178.44 179.58 1bvm h GLN 4 N 0.10 0.24 -0.26 0.12 1.08 -1.98 0.25 115.11 114.67 1bvm h GLN 4 Ca 0.69 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.79 1bvm h GLN 4 Cb 2.44 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.80 1bvm h GLN 4 CO -0.15 0.16 -0.18 0.35 -0.95 0.00 0.00 178.83 178.05 1bvm h PHE 5 N 0.25 0.50 -0.53 2.96 3.57 0.63 -2.68 116.94 121.63 1bvm h PHE 5 Ca 0.33 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1bvm h PHE 5 Cb 0.93 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1bvm h PHE 5 CO -0.00 0.62 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.77 1bvm h ASN 6 N 0.42 0.90 -0.47 0.41 4.21 -0.57 -2.29 115.58 118.19 1bvm h ASN 6 Ca 0.07 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.32 1bvm h ASN 6 Cb 0.56 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 1bvm h ASN 6 CO 0.04 0.97 0.24 1.23 -1.29 0.00 0.00 177.43 178.62 1bvm h GLY 7 N 0.99 0.76 1.45 2.83 0.00 -1.21 0.28 103.07 108.16 1bvm h GLY 7 Ca 0.15 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1bvm h GLY 7 CO 0.03 0.33 -0.55 -0.33 0.00 0.00 0.00 176.54 176.02 1bvm h MET 8 N 0.71 0.58 -0.04 4.80 2.86 -1.31 -1.95 114.93 120.59 1bvm h MET 8 Ca 0.18 -0.36 -0.17 0.00 -2.06 0.00 0.00 59.70 57.29 1bvm h MET 8 Cb 0.08 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1bvm h MET 8 CO -0.02 0.97 -0.73 0.82 1.06 0.00 0.00 176.91 179.01 1bvm h ILE 9 N 0.44 1.43 -0.12 -1.22 2.04 -0.84 -2.79 117.51 116.46 1bvm h ILE 9 Ca 0.01 -2.27 -0.20 0.00 1.00 0.00 0.00 64.86 63.41 1bvm h ILE 9 Cb 1.10 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1bvm h ILE 9 CO 0.10 0.67 -0.72 0.11 0.00 0.00 0.00 178.15 178.31 1bvm h LYS 10 N 0.15 0.57 -0.25 2.37 1.57 -0.88 -2.75 116.57 117.35 1bvm h LYS 10 Ca -0.02 -0.45 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 1bvm h LYS 10 Cb 1.29 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1bvm h LYS 10 CO 0.11 1.08 -0.39 0.00 -0.57 0.00 0.00 179.45 179.68 1bvm h LYS 12 N 0.48 0.85 -4.23 0.00 1.57 -1.47 -3.39 116.57 110.38 1bvm h LYS 12 Ca 0.04 -0.36 -0.65 0.00 -1.87 0.00 0.00 60.65 57.81 1bvm h LYS 12 Cb 0.89 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.76 1bvm h LYS 12 CO 0.08 1.00 -0.69 0.42 -0.57 0.00 0.00 179.45 179.68 1bvm s ILE 13 N -4.67 2.34 0.18 1.86 1.01 -1.04 -4.80 121.20 116.07 1bvm s ILE 13 Ca -0.12 -2.64 0.08 0.00 0.00 0.00 0.00 60.65 57.97 1bvm s ILE 13 Cb 0.11 -2.69 -0.14 0.00 0.01 0.00 0.00 42.46 39.74 1bvm s ILE 13 CO 0.84 -0.67 1.40 1.55 0.00 0.00 0.00 174.94 178.06 1bvm h PRO 14 N 7.25 0.01 -0.15 2.79 0.13 -1.76 -3.31 132.00 136.96 1bvm h PRO 14 Ca -0.05 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1bvm h PRO 14 Cb 0.98 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1bvm h PRO 14 CO 0.57 0.86 -0.20 0.66 -0.23 0.00 0.00 178.00 179.67 1bvm h SER 15 N 0.00 0.44 -2.29 1.44 4.64 -1.91 -3.45 113.55 112.43 1bvm h SER 15 Ca -0.01 -0.51 -0.49 0.00 -0.47 0.00 0.00 61.79 60.31 1bvm h SER 15 Cb 1.52 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 1bvm h SER 15 CO 0.11 0.86 -0.47 -0.44 -0.87 0.00 0.00 176.83 176.03 1bvm s SER 16 N -6.24 6.07 -0.10 4.97 0.01 -1.25 -5.11 113.70 112.06 1bvm s SER 16 Ca -0.14 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1bvm s SER 16 Cb 0.05 -1.73 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 1bvm s SER 16 CO 0.77 -0.03 -0.11 -1.61 0.41 0.00 0.00 173.24 172.67 1bvm s GLU 17 N -3.76 3.12 0.00 12.44 8.01 -1.26 -4.80 118.70 132.45 1bvm s GLU 17 Ca 0.34 -0.64 0.23 0.00 0.01 0.00 0.00 54.97 54.91 1bvm s GLU 17 Cb -0.09 -2.61 1.28 0.00 -4.31 0.00 0.00 34.13 28.40 1bvm s GLU 17 CO 0.28 0.39 1.76 -0.35 0.01 0.00 0.00 175.26 177.35 1bvm n PRO 18 N 3.02 0.53 0.00 0.39 -0.04 -1.26 -2.13 135.00 135.51 1bvm n PRO 18 Ca -0.18 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1bvm n PRO 18 Cb 0.53 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1bvm n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bvm n LEU 19 N -1.15 1.23 -0.02 1.53 4.77 -1.26 -2.73 117.00 119.38 1bvm n LEU 19 Ca 0.14 -0.77 -0.01 0.00 -0.03 0.00 0.00 56.01 55.34 1bvm n LEU 19 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1bvm n LEU 19 CO 0.15 0.25 -0.63 0.18 -1.33 0.00 0.00 177.39 176.01 1bvm n LEU 20 N -0.23 0.00 -2.71 2.23 4.77 -1.11 -4.72 117.00 115.23 1bvm n LEU 20 Ca 0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1bvm n LEU 20 Cb 0.21 0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1bvm n LEU 20 CO 0.12 0.09 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.52 1bvm n ASP 21 N -2.05 1.54 0.00 -1.43 2.03 -0.90 -4.89 116.55 110.85 1bvm n ASP 21 Ca -0.06 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.74 1bvm n ASP 21 Cb 0.53 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1bvm n ASP 21 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1bvm n PHE 22 N -0.24 -1.12 -1.31 -0.67 3.72 -1.26 -4.89 117.46 111.69 1bvm n PHE 22 Ca 0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.13 1bvm n PHE 22 Cb 0.81 0.28 0.08 0.00 -0.94 0.00 0.00 39.48 39.71 1bvm n PHE 22 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1bvm n ASN 23 N -2.06 -0.07 -3.80 4.37 5.03 -1.10 -3.35 115.26 114.28 1bvm n ASN 23 Ca 0.00 0.64 -0.26 0.00 0.87 0.00 0.00 54.58 55.83 1bvm n ASN 23 Cb 0.00 -1.35 0.00 0.00 -1.02 0.00 0.00 39.78 37.42 1bvm n ASN 23 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1bvm n ASN 24 N -1.27 -4.85 -4.06 6.41 2.85 -1.26 -4.81 115.26 108.28 1bvm n ASN 24 Ca 0.12 -0.98 -0.11 0.00 -0.11 0.00 0.00 54.58 53.50 1bvm n ASN 24 Cb 0.50 -1.77 -0.11 0.00 1.24 0.00 0.00 39.78 39.64 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1bvm s TYR 25 N -3.04 0.55 0.00 1.20 6.14 0.26 -2.88 117.35 119.59 1bvm s TYR 25 Ca 0.05 -0.65 0.00 0.00 0.64 0.00 0.00 57.07 57.11 1bvm s TYR 25 Cb -0.03 -0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.00 1bvm s TYR 25 CO 0.90 -0.17 0.00 0.41 0.64 0.00 0.00 175.55 177.33 1bvm n GLY 26 N 1.09 0.22 0.09 8.97 0.00 -1.23 -2.21 105.19 112.11 1bvm n GLY 26 Ca -0.20 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.20 1bvm n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvm n TYR 28 N -2.73 0.00 -2.12 0.00 4.01 -1.26 -0.70 117.16 114.36 1bvm n TYR 28 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 1bvm n TYR 28 Cb 0.70 -0.78 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1bvm n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bvm n GLY 30 N 2.82 1.68 0.08 0.00 0.00 -1.26 -0.57 105.19 107.94 1bvm n GLY 30 Ca 0.09 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.57 1bvm n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bvm n LEU 31 N -0.12 0.34 -4.20 0.99 0.00 -1.26 -4.21 117.00 108.55 1bvm n LEU 31 Ca 0.00 0.62 -0.38 0.00 0.00 0.00 0.00 56.01 56.25 1bvm n LEU 31 Cb 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 43.42 42.69 1bvm n LEU 31 CO 0.00 -0.61 -0.14 -0.83 0.00 0.00 0.00 177.39 175.82 1bvm s GLY 32 N -3.31 1.97 0.00 -3.96 0.00 -1.26 -5.02 107.32 95.74 1bvm s GLY 32 Ca 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 44.72 42.41 1bvm s GLY 32 CO 0.21 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.91 1bvm n GLY 33 N 4.77 2.44 0.00 0.20 0.00 -1.26 -4.75 105.19 106.60 1bvm n GLY 33 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1bvm n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bvm n SER 34 N 0.00 0.00 0.00 1.61 3.41 0.12 -4.77 113.62 113.99 1bvm n SER 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bvm n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bvm n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bvm n GLY 35 N 0.00 -0.28 3.54 5.00 0.00 -1.26 -4.98 105.19 107.21 1bvm n GLY 35 Ca 0.00 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 1bvm n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bvm n THR 36 N 3.64 2.21 -0.85 2.61 -1.04 -1.26 -4.74 114.28 114.85 1bvm n THR 36 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1bvm n THR 36 Cb 0.00 -0.86 0.09 0.00 -1.82 0.00 0.00 70.33 67.74 1bvm n THR 36 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1bvm n PRO 37 N 0.30 -1.49 0.00 -2.82 -0.04 -1.26 -4.61 135.00 125.07 1bvm n PRO 37 Ca 0.11 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1bvm n PRO 37 Cb 0.39 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 1bvm n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bvm n VAL 38 N -3.21 0.00 -4.49 0.52 0.24 -1.26 -4.91 118.33 105.21 1bvm n VAL 38 Ca 0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.13 1bvm n VAL 38 Cb 0.22 -0.20 -0.11 0.00 -1.47 0.00 0.00 33.84 32.28 1bvm n VAL 38 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1bvm s ASP 39 N -3.76 2.84 0.22 -1.34 1.47 -1.26 -5.02 116.67 109.82 1bvm s ASP 39 Ca 0.00 -1.34 -0.07 0.00 1.18 0.00 0.00 52.55 52.32 1bvm s ASP 39 Cb 0.00 -0.18 0.30 0.00 -0.34 0.00 0.00 42.92 42.70 1bvm s ASP 39 CO 0.00 -0.51 1.81 0.44 0.68 0.00 0.00 175.17 177.58 1bvm h ASP 40 N 2.06 0.58 -0.94 2.11 3.32 -2.00 -0.85 116.42 120.69 1bvm h ASP 40 Ca -0.41 0.04 0.12 0.00 0.02 0.00 0.00 57.03 56.80 1bvm h ASP 40 Cb 1.24 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.63 1bvm h ASP 40 CO 0.72 0.36 0.57 0.25 -1.72 0.00 0.00 179.24 179.42 1bvm h LEU 41 N 0.71 0.81 -0.57 1.55 5.85 -1.92 -0.54 115.31 121.22 1bvm h LEU 41 Ca 0.34 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 1bvm h LEU 41 Cb 0.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1bvm h LEU 41 CO -0.21 0.42 0.19 -0.78 -0.34 0.00 0.00 178.44 177.72 1bvm h ASP 42 N 0.89 0.82 -1.03 1.25 3.58 -1.56 -2.01 116.42 118.36 1bvm h ASP 42 Ca 0.48 -0.20 0.25 0.00 0.42 0.00 0.00 57.03 57.98 1bvm h ASP 42 Cb 0.51 -0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.25 1bvm h ASP 42 CO -0.28 0.80 0.65 0.03 -2.88 0.00 0.00 179.24 177.55 1bvm h ARG 43 N 0.79 0.45 -0.42 0.28 2.47 -0.53 0.45 114.38 117.87 1bvm h ARG 43 Ca 0.18 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 1bvm h ARG 43 Cb 0.26 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1bvm h ARG 43 CO -0.01 0.30 0.09 0.00 0.56 0.00 0.00 179.97 180.91 1bvm h GLN 46 N 0.34 0.70 -0.03 0.00 4.15 -0.80 0.69 115.11 120.17 1bvm h GLN 46 Ca 0.10 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 1bvm h GLN 46 Cb 0.30 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1bvm h GLN 46 CO 0.00 0.47 -0.68 1.15 -1.93 0.00 0.00 178.83 177.84 1bvm h THR 47 N 0.73 1.44 0.13 2.39 2.02 -0.97 -2.66 112.91 115.97 1bvm h THR 47 Ca 0.44 -2.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 1bvm h THR 47 Cb 0.67 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1bvm h THR 47 CO -0.20 0.64 -0.06 -0.74 0.37 0.00 0.00 175.52 175.53 1bvm h HIS 48 N 0.10 -0.16 -0.29 3.16 -0.00 0.10 0.48 115.15 118.54 1bvm h HIS 48 Ca -0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1bvm h HIS 48 Cb 1.21 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.65 1bvm h HIS 48 CO 0.02 -0.07 0.16 -0.44 -0.00 0.00 0.00 177.93 177.59 1bvm h ASP 49 N -0.20 0.24 -0.04 3.26 3.32 -1.45 -0.50 116.42 121.05 1bvm h ASP 49 Ca -0.02 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1bvm h ASP 49 Cb 0.15 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1bvm h ASP 49 CO 0.03 0.18 0.05 0.78 -1.72 0.00 0.00 179.24 178.56 1bvm h ASN 50 N 0.33 0.00 -0.00 6.45 2.35 -1.13 -2.02 115.58 121.56 1bvm h ASN 50 Ca 0.12 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1bvm h ASN 50 Cb 0.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.40 1bvm h ASN 50 CO -0.07 0.00 -0.59 0.00 -1.65 0.00 0.00 177.43 175.12 1bvm h TYR 52 N -0.12 0.00 0.07 0.00 -1.99 -0.70 -0.65 116.97 113.58 1bvm h TYR 52 Ca -0.07 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1bvm h TYR 52 Cb 1.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1bvm h TYR 52 CO 0.15 0.17 -0.04 0.87 -0.00 0.00 0.00 178.16 179.32 1bvm h LYS 53 N 0.00 -0.10 -0.85 4.88 1.79 -1.40 -2.96 116.57 117.94 1bvm h LYS 53 Ca -0.00 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.68 1bvm h LYS 53 Cb 0.33 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 1bvm h LYS 53 CO 0.02 0.44 0.58 1.96 -1.08 0.00 0.00 179.45 181.37 1bvm h GLN 54 N -0.91 0.24 -0.62 3.15 1.08 -1.14 0.30 115.11 117.21 1bvm h GLN 54 Ca -0.01 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1bvm h GLN 54 Cb 0.58 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1bvm h GLN 54 CO 0.02 0.16 0.09 0.00 -0.95 0.00 0.00 178.83 178.15 1bvm h ALA 55 N 1.61 0.99 -0.64 3.87 0.00 -1.08 -2.67 119.26 121.34 1bvm h ALA 55 Ca 0.43 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1bvm h ALA 55 Cb 1.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1bvm h ALA 55 CO -0.11 0.64 0.14 0.87 0.00 0.00 0.00 179.25 180.79 1bvm h LYS 56 N 0.95 1.02 -0.47 0.00 1.57 -0.25 -2.55 116.57 116.85 1bvm h LYS 56 Ca 0.19 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1bvm h LYS 56 Cb 0.43 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1bvm h LYS 56 CO 0.01 0.91 0.24 -0.22 -0.57 0.00 0.00 179.45 179.83 1bvm h LYS 57 N 0.97 0.64 -6.13 3.15 3.11 -1.13 -3.31 116.57 113.87 1bvm h LYS 57 Ca 0.20 -0.06 -0.72 0.00 -2.81 0.00 0.00 60.65 57.26 1bvm h LYS 57 Cb 0.37 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1bvm h LYS 57 CO 0.00 0.48 1.02 1.28 -2.81 0.00 0.00 179.45 179.43 1bvm n LEU 58 N -4.41 2.39 -0.17 5.20 4.77 -0.96 -4.75 117.00 119.08 1bvm n LEU 58 Ca 0.04 0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 56.86 1bvm n LEU 58 Cb 0.11 -1.17 -0.05 0.00 -2.33 0.00 0.00 43.42 39.97 1bvm n LEU 58 CO 0.37 -0.45 0.56 0.44 -1.33 0.00 0.00 177.39 176.98 1bvm h ASP 59 N 8.32 -1.54 -0.57 -1.43 5.19 -1.88 0.31 116.42 124.82 1bvm h ASP 59 Ca -0.42 0.24 0.11 0.00 -0.62 0.00 0.00 57.03 56.34 1bvm h ASP 59 Cb 1.32 0.68 -0.11 0.00 0.18 0.00 0.00 39.33 41.39 1bvm h ASP 59 CO 0.98 -0.36 -0.20 0.28 -3.12 0.00 0.00 179.24 176.82 1bvm h SER 60 N -0.29 -0.71 -0.77 6.45 0.02 -1.94 0.62 113.55 116.93 1bvm h SER 60 Ca 0.15 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1bvm h SER 60 Cb 0.58 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1bvm h SER 60 CO -0.63 -0.23 0.30 0.00 -1.14 0.00 0.00 176.83 175.13 1bvm n LYS 62 N -4.28 0.31 0.00 0.00 4.81 0.93 0.21 118.16 120.14 1bvm n LYS 62 Ca 0.07 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1bvm n LYS 62 Cb 0.19 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1bvm n LYS 62 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1bvm n VAL 63 N -1.20 0.00 0.00 3.15 3.14 -0.46 -4.77 118.33 118.20 1bvm n VAL 63 Ca 0.09 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1bvm n VAL 63 Cb 0.10 1.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.23 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bvm n LEU 64 N -0.14 0.00 -1.65 6.55 4.77 0.15 -4.86 117.00 121.82 1bvm n LEU 64 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1bvm n LEU 64 Cb 0.09 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.37 1bvm n LEU 64 CO 0.00 -0.16 0.87 0.52 -1.33 0.00 0.00 177.39 177.29 1bvm n VAL 65 N -1.47 2.21 -1.07 4.08 0.31 -1.16 -4.99 118.33 116.24 1bvm n VAL 65 Ca 0.00 -1.13 -0.33 0.00 -0.01 0.00 0.00 64.34 62.86 1bvm n VAL 65 Cb 0.00 -0.51 0.01 0.00 -0.91 0.00 0.00 33.84 32.43 1bvm n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bvm n ASP 66 N -0.13 -3.08 -3.33 4.52 -0.08 0.56 -3.13 116.55 111.88 1bvm n ASP 66 Ca 0.30 0.57 -0.10 0.00 -1.51 0.00 0.00 54.79 54.05 1bvm n ASP 66 Cb 1.11 -0.73 0.01 0.00 2.34 0.00 0.00 41.12 43.85 1bvm n ASP 66 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1bvm n ASN 67 N 2.12 -6.71 -3.66 1.67 5.15 -1.26 -4.76 115.26 107.81 1bvm n ASN 67 Ca 0.07 -0.43 -0.43 0.00 -0.60 0.00 0.00 54.58 53.19 1bvm n ASN 67 Cb 0.40 -4.09 -0.04 0.00 -0.53 0.00 0.00 39.78 35.51 1bvm n ASN 67 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1bvm n PRO 68 N -2.25 1.91 0.03 1.20 -0.04 -1.18 -4.34 135.00 130.33 1bvm n PRO 68 Ca -0.11 -2.07 -0.01 0.00 -0.04 0.00 0.00 63.50 61.27 1bvm n PRO 68 Cb 0.57 -3.03 -0.00 0.00 -0.04 0.00 0.00 33.50 30.99 1bvm n PRO 68 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bvm n TYR 69 N 7.09 0.00 1.43 0.54 4.02 -1.26 -4.70 117.16 124.28 1bvm n TYR 69 Ca 0.50 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.54 1bvm n TYR 69 Cb 0.40 -0.07 0.68 0.00 -0.02 0.00 0.00 39.34 40.33 1bvm n TYR 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1bvm n THR 70 N -3.54 0.00 -1.64 -0.72 -2.24 -1.26 -3.45 114.28 101.43 1bvm n THR 70 Ca -0.02 -0.03 -0.44 0.00 -2.27 0.00 0.00 64.05 61.28 1bvm n THR 70 Cb 0.14 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1bvm n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bvm n ASN 71 N -1.10 2.02 -3.41 3.42 5.15 -1.26 -4.82 115.26 115.26 1bvm n ASN 71 Ca 0.15 1.18 -0.27 0.00 -0.60 0.00 0.00 54.58 55.04 1bvm n ASN 71 Cb 0.26 -1.37 -0.08 0.00 -0.53 0.00 0.00 39.78 38.06 1bvm n ASN 71 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bvm n ASN 72 N 1.30 3.54 -4.58 1.20 3.02 -1.26 -4.92 115.26 113.55 1bvm n ASN 72 Ca 0.09 -3.40 -0.29 0.00 -0.03 0.00 0.00 54.58 50.95 1bvm n ASN 72 Cb 0.33 -0.67 0.21 0.00 -0.61 0.00 0.00 39.78 39.04 1bvm n ASN 72 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1bvm s TYR 73 N -2.40 1.67 0.32 3.10 -0.85 -1.26 -5.04 117.35 112.88 1bvm s TYR 73 Ca 0.40 1.23 0.08 0.00 -0.52 0.00 0.00 57.07 58.26 1bvm s TYR 73 Cb 0.15 -3.17 -0.04 0.00 0.38 0.00 0.00 41.96 39.28 1bvm s TYR 73 CO -0.02 -3.34 0.12 0.45 -1.52 0.00 0.00 175.55 171.24 1bvm s SER 74 N -2.86 4.75 0.08 -0.18 0.15 -1.26 -5.10 113.70 109.27 1bvm s SER 74 Ca 0.67 -0.69 -0.13 0.00 0.70 0.00 0.00 55.95 56.50 1bvm s SER 74 Cb -0.22 -0.82 0.05 0.00 -1.71 0.00 0.00 66.02 63.31 1bvm s SER 74 CO 0.61 -0.21 0.62 0.00 1.20 0.00 0.00 173.24 175.46 1bvm n TYR 75 N -1.11 -0.85 -3.99 3.44 0.18 -1.26 -4.11 117.16 109.47 1bvm n TYR 75 Ca -0.04 -0.65 -0.08 0.00 1.88 0.00 0.00 57.90 59.01 1bvm n TYR 75 Cb 0.60 0.32 -0.03 0.00 -0.38 0.00 0.00 39.34 39.85 1bvm n TYR 75 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1bvm n SER 76 N -0.92 -0.43 -3.66 9.48 7.64 0.69 -4.87 113.62 121.55 1bvm n SER 76 Ca -0.00 -1.91 -0.08 0.00 1.01 0.00 0.00 58.87 57.89 1bvm n SER 76 Cb 0.33 0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 64.42 1bvm n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bvm n SER 78 N -0.41 0.00 -4.03 0.00 2.88 0.95 -4.85 113.62 108.16 1bvm n SER 78 Ca -0.09 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.09 1bvm n SER 78 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bvm n ASN 79 N 0.00 -2.56 -4.18 -3.46 4.13 -1.26 0.56 115.26 108.49 1bvm n ASN 79 Ca 0.00 -1.19 -0.36 0.00 1.68 0.00 0.00 54.58 54.71 1bvm n ASN 79 Cb 0.00 -2.24 -0.03 0.00 -1.54 0.00 0.00 39.78 35.97 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bvm n ASN 80 N -2.57 -3.02 -4.03 6.41 5.03 -1.26 -4.90 115.26 110.92 1bvm n ASN 80 Ca -0.19 -0.97 -0.09 0.00 0.87 0.00 0.00 54.58 54.20 1bvm n ASN 80 Cb 0.62 -2.50 -0.08 0.00 -1.02 0.00 0.00 39.78 36.80 1bvm n ASN 80 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1bvm s GLU 81 N -6.87 0.97 0.22 3.52 2.02 0.19 -4.84 118.70 113.91 1bvm s GLU 81 Ca 0.72 -1.25 0.10 0.00 0.02 0.00 0.00 54.97 54.56 1bvm s GLU 81 Cb -0.40 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 1bvm s GLU 81 CO 0.89 -0.31 -0.11 0.42 0.02 0.00 0.00 175.26 176.17 1bvm s ILE 82 N -3.98 3.03 0.14 -1.63 1.01 -1.26 -0.04 121.20 118.47 1bvm s ILE 82 Ca 0.17 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 58.98 1bvm s ILE 82 Cb 0.06 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1bvm s ILE 82 CO -0.02 -0.22 -0.11 -0.89 0.00 0.00 0.00 174.94 173.70 1bvm s THR 83 N -1.98 1.19 -0.06 2.92 2.01 0.54 -4.81 115.64 115.46 1bvm s THR 83 Ca 0.27 -1.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.31 1bvm s THR 83 Cb -0.07 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.77 1bvm s THR 83 CO 0.16 -0.63 0.15 0.00 -0.69 0.00 0.00 174.62 173.60 1bvm n SER 85 N 3.74 -0.60 0.16 0.00 7.64 -1.26 -4.88 113.62 118.43 1bvm n SER 85 Ca -0.21 0.75 0.12 0.00 1.01 0.00 0.00 58.87 60.54 1bvm n SER 85 Cb 0.55 -1.23 0.12 0.00 -1.01 0.00 0.00 64.21 62.63 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1bvm h SER 86 N 0.27 0.00 -0.03 6.43 4.64 -2.00 -3.26 113.55 119.59 1bvm h SER 86 Ca -0.46 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1bvm h SER 86 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1bvm h SER 86 CO 0.48 0.01 0.05 -0.33 -0.87 0.00 0.00 176.83 176.16 1bvm h GLU 87 N 0.00 0.00 -6.08 4.77 5.08 -2.02 -3.42 114.58 112.91 1bvm h GLU 87 Ca 0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 1bvm h GLU 87 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1bvm h GLU 87 CO 0.00 0.00 1.05 0.09 -1.00 0.00 0.00 179.01 179.15 1bvm n ASN 88 N -3.69 2.02 -3.10 1.42 4.13 -1.23 -4.91 115.26 109.90 1bvm n ASN 88 Ca -0.02 0.89 -0.16 0.00 1.68 0.00 0.00 54.58 56.97 1bvm n ASN 88 Cb 0.13 -1.11 0.15 0.00 -1.54 0.00 0.00 39.78 37.41 1bvm n ASN 88 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1bvm n ASN 89 N 6.51 -2.27 -0.31 6.41 6.94 -1.26 -4.08 115.26 127.20 1bvm n ASN 89 Ca 0.34 -0.70 0.31 0.00 -0.02 0.00 0.00 54.58 54.51 1bvm n ASN 89 Cb 0.11 -0.55 0.69 0.00 -2.36 0.00 0.00 39.78 37.67 1bvm n ASN 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bvm h ALA 90 N -2.61 2.86 0.00 -2.53 0.00 -1.97 -0.31 119.26 114.70 1bvm h ALA 90 Ca -0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1bvm h ALA 90 Cb 0.70 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1bvm h ALA 90 CO 0.14 -1.21 -0.94 0.00 0.00 0.00 0.00 179.25 177.24 1bvm h GLU 92 N -0.98 0.11 0.10 0.00 4.39 -1.65 0.67 114.58 117.22 1bvm h GLU 92 Ca -0.26 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.16 1bvm h GLU 92 Cb 1.24 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1bvm h GLU 92 CO -0.15 0.07 -1.34 0.00 -1.16 0.00 0.00 179.01 176.43 1bvm h ALA 93 N 1.69 0.22 -0.31 3.43 0.00 -1.21 -2.95 119.26 120.12 1bvm h ALA 93 Ca 0.31 -0.99 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1bvm h ALA 93 Cb 1.06 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1bvm h ALA 93 CO -0.03 1.09 -0.34 0.35 0.00 0.00 0.00 179.25 180.32 1bvm h PHE 94 N 0.06 0.80 -0.29 0.00 3.04 -0.72 -2.41 116.94 117.42 1bvm h PHE 94 Ca -0.16 -0.21 -0.18 0.00 3.98 0.00 0.00 57.97 61.39 1bvm h PHE 94 Cb 1.97 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 40.30 1bvm h PHE 94 CO 0.05 0.93 -0.53 0.82 -2.02 0.00 0.00 178.31 177.56 1bvm h ILE 95 N 0.58 1.28 -0.31 1.41 1.08 -1.08 -2.87 117.51 117.59 1bvm h ILE 95 Ca 0.06 -1.72 -0.05 0.00 -0.39 0.00 0.00 64.86 62.77 1bvm h ILE 95 Cb 0.85 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1bvm h ILE 95 CO 0.07 0.56 -0.01 0.00 -0.69 0.00 0.00 178.15 178.08 1bvm h ASN 97 N 0.45 0.72 -0.80 0.00 2.35 -1.32 -0.81 115.58 116.18 1bvm h ASN 97 Ca 0.10 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1bvm h ASN 97 Cb 0.32 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1bvm h ASN 97 CO 0.01 0.96 0.47 0.00 -1.65 0.00 0.00 177.43 177.22 1bvm h ASP 99 N 1.12 0.75 -0.07 0.00 3.32 -1.37 -2.86 116.42 117.31 1bvm h ASP 99 Ca 0.29 -0.93 -0.01 0.00 0.02 0.00 0.00 57.03 56.39 1bvm h ASP 99 Cb -0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1bvm h ASP 99 CO -0.05 1.63 -0.01 -0.09 -1.72 0.00 0.00 179.24 179.00 1bvm h ARG 100 N 0.01 0.13 -0.59 3.56 2.43 -0.98 -0.62 114.38 118.32 1bvm h ARG 100 Ca -0.23 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1bvm h ARG 100 Cb 2.03 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.54 1bvm h ARG 100 CO 0.24 0.43 0.32 -0.91 -1.51 0.00 0.00 179.97 178.55 1bvm h ASN 101 N -0.19 0.72 -0.25 -3.80 4.21 -0.90 0.15 115.58 115.53 1bvm h ASN 101 Ca 0.02 -0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.32 1bvm h ASN 101 Cb 0.38 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1bvm h ASN 101 CO 0.01 0.58 -0.47 0.00 -1.29 0.00 0.00 177.43 176.26 1bvm h ALA 102 N 1.54 0.39 -0.12 -0.83 0.00 -1.37 -1.81 119.26 117.06 1bvm h ALA 102 Ca 0.21 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1bvm h ALA 102 Cb 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bvm h ALA 102 CO -0.03 0.55 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 1bvm h ALA 103 N 0.64 0.19 -0.38 0.00 0.00 -0.70 -2.79 119.26 116.22 1bvm h ALA 103 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1bvm h ALA 103 Cb 1.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1bvm h ALA 103 CO 0.10 0.13 0.16 0.82 0.00 0.00 0.00 179.25 180.46 1bvm h ILE 104 N -0.06 1.15 -0.12 0.00 2.04 -0.76 -2.52 117.51 117.24 1bvm h ILE 104 Ca 0.01 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1bvm h ILE 104 Cb 0.77 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1bvm h ILE 104 CO 0.05 0.18 0.04 0.00 0.00 0.00 0.00 178.15 178.41 1bvm h PHE 106 N 0.02 1.05 0.00 0.00 0.04 -1.18 0.45 116.94 117.32 1bvm h PHE 106 Ca 0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1bvm h PHE 106 Cb 0.19 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1bvm h PHE 106 CO -0.01 0.38 0.00 -1.13 -0.60 0.00 0.00 178.31 176.96 1bvm n SER 107 N -4.62 0.00 -0.00 2.17 3.41 -0.94 -3.12 113.62 110.51 1bvm n SER 107 Ca 0.19 -0.02 0.10 0.00 -0.26 0.00 0.00 58.87 58.88 1bvm n SER 107 Cb 0.41 -0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 1bvm n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bvm n LYS 108 N -1.32 0.26 -4.49 4.33 4.76 0.15 -4.96 118.16 116.89 1bvm n LYS 108 Ca 0.12 -0.08 -0.24 0.00 -2.87 0.00 0.00 58.31 55.25 1bvm n LYS 108 Cb 0.24 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 1bvm n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1bvm s VAL 109 N -3.19 2.25 0.77 -0.18 -7.23 -0.75 -5.08 120.40 106.99 1bvm s VAL 109 Ca 0.02 -2.28 -0.13 0.00 -1.81 0.00 0.00 61.98 57.78 1bvm s VAL 109 Cb 0.15 -2.46 0.19 0.00 0.56 0.00 0.00 36.38 34.82 1bvm s VAL 109 CO 0.88 -0.31 0.76 -0.81 -0.31 0.00 0.00 175.10 175.31 1bvm n PRO 110 N -0.68 -2.04 -3.70 4.82 -0.04 -1.26 -4.89 135.00 127.20 1bvm n PRO 110 Ca -0.05 -1.21 -0.30 0.00 -0.04 0.00 0.00 63.50 61.90 1bvm n PRO 110 Cb 0.62 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.90 1bvm n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1bvm s TYR 111 N -2.46 1.75 -1.08 0.54 5.04 -1.26 -4.47 117.35 115.41 1bvm s TYR 111 Ca 0.48 -2.01 -0.25 0.00 -2.44 0.00 0.00 57.07 52.84 1bvm s TYR 111 Cb -0.04 -1.73 -0.17 0.00 0.35 0.00 0.00 41.96 40.37 1bvm s TYR 111 CO 0.36 -0.84 2.08 -0.80 -1.34 0.00 0.00 175.55 175.01 1bvm s ASN 112 N 1.07 4.01 0.43 4.32 0.01 -1.26 -4.72 114.94 118.79 1bvm s ASN 112 Ca 0.14 -1.09 0.23 0.00 -0.71 0.00 0.00 52.86 51.43 1bvm s ASN 112 Cb -0.21 -2.59 1.23 0.00 0.41 0.00 0.00 41.25 40.09 1bvm s ASN 112 CO -0.13 -4.12 1.75 0.50 -1.51 0.00 0.00 177.10 173.59 1bvm h LYS 113 N 11.12 0.27 0.00 -0.60 3.64 -1.98 0.74 116.57 129.77 1bvm h LYS 113 Ca 0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1bvm h LYS 113 Cb 0.98 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1bvm h LYS 113 CO 1.08 0.18 -0.00 1.49 -2.27 0.00 0.00 179.45 179.93 1bvm h GLU 114 N 0.28 0.00 -0.11 1.90 4.22 -2.04 0.13 114.58 118.96 1bvm h GLU 114 Ca 0.63 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.07 1bvm h GLU 114 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1bvm h GLU 114 CO -0.28 0.00 0.00 0.72 -2.18 0.00 0.00 179.01 177.27 1bvm n HIS 115 N -4.06 0.14 -2.12 0.92 8.25 0.26 -4.84 115.22 113.76 1bvm n HIS 115 Ca -0.03 -0.07 -0.41 0.00 -0.26 0.00 0.00 57.72 56.96 1bvm n HIS 115 Cb 0.08 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 1bvm n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1bvm s LYS 116 N -1.86 4.36 -1.35 -0.41 2.47 0.46 -3.09 119.74 120.31 1bvm s LYS 116 Ca 0.30 2.20 -0.11 0.00 -1.56 0.00 0.00 55.97 56.80 1bvm s LYS 116 Cb 0.15 -3.07 0.01 0.00 -1.46 0.00 0.00 37.83 33.46 1bvm s LYS 116 CO 0.24 -0.18 0.44 0.09 0.16 0.00 0.00 175.35 176.09 1bvm n ASN 117 N 0.80 -1.69 -4.61 1.43 3.02 -1.14 -4.91 115.26 108.16 1bvm n ASN 117 Ca -0.00 -1.14 -0.29 0.00 -0.03 0.00 0.00 54.58 53.12 1bvm n ASN 117 Cb 0.42 -2.46 0.14 0.00 -0.61 0.00 0.00 39.78 37.27 1bvm n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bvm s LEU 118 N -7.09 2.18 -0.26 3.41 2.96 -1.18 -5.00 118.68 113.71 1bvm s LEU 118 Ca 0.19 0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 54.63 1bvm s LEU 118 Cb -0.09 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 1bvm s LEU 118 CO 0.93 -2.53 0.67 -0.62 -1.32 0.00 0.00 176.35 173.48 1bvm s ASP 119 N -4.35 6.62 0.61 3.68 -1.08 -1.26 -4.90 116.67 115.98 1bvm s ASP 119 Ca 0.66 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 53.70 1bvm s ASP 119 Cb -0.11 -2.36 1.13 0.00 -1.46 0.00 0.00 42.92 40.13 1bvm s ASP 119 CO 0.52 -0.41 1.54 0.11 0.52 0.00 0.00 175.17 177.44 1bvm h LYS 120 N 7.89 0.00 0.00 4.34 1.57 -1.94 1.05 116.57 129.48 1bvm h LYS 120 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1bvm h LYS 120 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1bvm h LYS 120 CO 0.80 0.00 0.01 0.87 -0.57 0.00 0.00 179.45 180.56 1bvm h LYS 121 N 0.00 0.00 -0.01 3.15 1.79 -2.01 0.84 116.57 120.33 1bvm h LYS 121 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1bvm h LYS 121 Cb 2.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 1bvm h LYS 121 CO -0.00 0.00 -0.63 0.09 -1.08 0.00 0.00 179.45 177.83 1bvm n ASN 122 N -2.77 1.53 -0.69 0.86 3.02 0.36 -5.21 115.26 112.36 1bvm n ASN 122 Ca -0.02 -1.23 0.13 0.00 -0.03 0.00 0.00 54.58 53.43 1bvm n ASN 122 Cb 0.07 0.61 0.34 0.00 -0.61 0.00 0.00 39.78 40.18 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64