#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 0.27 0.30 0.00 4.32 -1.26 -4.19 117.00 116.45 1bvm n LEU 2 Ca 0.00 -0.14 0.20 0.00 -0.02 0.00 0.00 56.01 56.05 1bvm n LEU 2 Cb 0.00 0.00 1.07 0.00 -1.62 0.00 0.00 43.42 42.87 1bvm n LEU 2 CO 0.00 0.07 1.11 4.11 -1.22 0.00 0.00 177.39 181.46 1bvm h TRP 3 N 0.00 0.00 -0.05 -1.77 5.08 -2.03 -2.22 115.95 114.96 1bvm h TRP 3 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1bvm h TRP 3 Cb 0.83 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.99 1bvm h TRP 3 CO 0.00 0.00 0.00 1.96 -1.28 0.00 0.00 178.44 179.12 1bvm h GLN 4 N 0.00 0.09 -0.80 0.12 4.20 -2.01 -2.58 115.11 114.13 1bvm h GLN 4 Ca 0.00 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.85 1bvm h GLN 4 Cb 0.04 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.71 1bvm h GLN 4 CO 0.00 0.37 0.32 0.35 -0.67 0.00 0.00 178.83 179.20 1bvm h PHE 5 N -0.19 0.54 -0.10 2.96 3.57 -1.67 0.54 116.94 122.58 1bvm h PHE 5 Ca 0.02 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1bvm h PHE 5 Cb 0.32 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1bvm h PHE 5 CO 0.03 0.02 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.17 1bvm h ASN 6 N 0.43 0.14 -0.63 0.41 2.35 -1.57 -2.22 115.58 114.49 1bvm h ASN 6 Ca 0.46 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.14 1bvm h ASN 6 Cb 0.76 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 1bvm h ASN 6 CO -0.45 0.22 0.18 1.23 -1.65 0.00 0.00 177.43 176.96 1bvm h GLY 7 N 0.47 1.07 0.95 2.83 0.00 0.46 -2.18 103.07 106.67 1bvm h GLY 7 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.74 1bvm h GLY 7 CO 0.01 0.60 0.54 -0.33 0.00 0.00 0.00 176.54 177.36 1bvm h MET 8 N 0.92 1.04 0.00 4.80 2.86 -0.94 -0.22 114.93 123.39 1bvm h MET 8 Ca 0.20 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1bvm h MET 8 Cb 0.32 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1bvm h MET 8 CO -0.00 0.69 -0.02 0.82 1.06 0.00 0.00 176.91 179.46 1bvm h ILE 9 N 1.07 0.04 0.07 -1.22 2.04 -1.37 -2.88 117.51 115.28 1bvm h ILE 9 Ca 0.31 -0.49 -0.28 0.00 1.00 0.00 0.00 64.86 65.40 1bvm h ILE 9 Cb -0.07 1.47 0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1bvm h ILE 9 CO -0.09 0.01 -1.16 0.11 0.00 0.00 0.00 178.15 177.03 1bvm h LYS 10 N 0.00 0.60 -0.12 2.37 1.79 -0.42 -2.12 116.57 118.67 1bvm h LYS 10 Ca -0.00 -0.75 -0.01 0.00 -2.18 0.00 0.00 60.65 57.72 1bvm h LYS 10 Cb 0.47 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1bvm h LYS 10 CO 0.00 1.33 0.05 0.00 -1.08 0.00 0.00 179.45 179.75 1bvm h LYS 12 N 0.05 0.73 -2.89 0.00 1.57 -1.63 -3.37 116.57 111.03 1bvm h LYS 12 Ca 0.04 -0.27 -0.61 0.00 -1.87 0.00 0.00 60.65 57.94 1bvm h LYS 12 Cb 0.16 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 32.02 1bvm h LYS 12 CO -0.00 0.86 -0.73 0.42 -0.57 0.00 0.00 179.45 179.43 1bvm s ILE 13 N -4.67 1.79 0.15 1.86 1.01 -0.79 -4.93 121.20 115.61 1bvm s ILE 13 Ca -0.09 -3.30 -0.06 0.00 0.00 0.00 0.00 60.65 57.20 1bvm s ILE 13 Cb 0.13 -2.21 -0.13 0.00 0.01 0.00 0.00 42.46 40.27 1bvm s ILE 13 CO 0.82 -1.02 1.38 1.55 0.00 0.00 0.00 174.94 177.67 1bvm h PRO 14 N 5.92 0.56 -0.04 2.79 0.13 -1.40 -3.14 132.00 136.82 1bvm h PRO 14 Ca 0.12 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1bvm h PRO 14 Cb 0.85 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1bvm h PRO 14 CO 0.56 1.09 -0.09 0.66 -0.23 0.00 0.00 178.00 179.99 1bvm h SER 15 N 0.38 0.05 -3.87 1.44 4.64 -1.91 -3.41 113.55 110.87 1bvm h SER 15 Ca -0.04 -0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.59 1bvm h SER 15 Cb 1.35 -0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 63.12 1bvm h SER 15 CO 0.14 0.15 -0.88 -0.44 -0.87 0.00 0.00 176.83 174.93 1bvm s SER 16 N -7.00 3.11 0.10 4.97 0.01 -1.19 -5.12 113.70 108.58 1bvm s SER 16 Ca -0.05 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.67 1bvm s SER 16 Cb 0.16 -0.97 -0.05 0.00 0.21 0.00 0.00 66.02 65.38 1bvm s SER 16 CO 0.69 0.23 0.31 -1.61 0.41 0.00 0.00 173.24 173.27 1bvm s GLU 17 N -0.07 3.55 0.23 12.44 2.02 -1.26 -4.76 118.70 130.85 1bvm s GLU 17 Ca -0.06 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.74 1bvm s GLU 17 Cb -0.15 -2.94 0.22 0.00 0.10 0.00 0.00 34.13 31.37 1bvm s GLU 17 CO 0.05 0.53 1.55 -1.00 0.02 0.00 0.00 175.26 176.41 1bvm h PRO 18 N 3.02 0.33 0.00 0.39 0.13 -1.89 0.58 132.00 134.56 1bvm h PRO 18 Ca -0.46 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1bvm h PRO 18 Cb 1.17 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bvm h PRO 18 CO 0.73 0.82 0.00 -0.07 -0.23 0.00 0.00 178.00 179.25 1bvm h LEU 19 N 0.25 0.00 -2.03 1.56 4.07 -1.94 -1.65 115.31 115.57 1bvm h LEU 19 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bvm h LEU 19 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1bvm h LEU 19 CO 0.10 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.64 1bvm n LEU 20 N -2.37 1.49 0.02 1.67 4.77 -1.09 -4.71 117.00 116.78 1bvm n LEU 20 Ca 0.05 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1bvm n LEU 20 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1bvm n LEU 20 CO 0.30 0.37 0.00 -0.67 -1.33 0.00 0.00 177.39 176.06 1bvm n ASP 21 N -0.26 -0.04 -3.06 -1.43 2.03 0.20 -4.82 116.55 109.17 1bvm n ASP 21 Ca 0.00 0.07 -0.40 0.00 0.52 0.00 0.00 54.79 54.97 1bvm n ASP 21 Cb 0.14 0.07 0.04 0.00 -0.72 0.00 0.00 41.12 40.65 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 -2.63 2.93 -3.30 -0.67 3.72 -0.66 -4.96 117.46 111.89 1bvm n PHE 22 Ca 0.00 -2.37 -0.40 0.00 -0.05 0.00 0.00 57.45 54.64 1bvm n PHE 22 Cb 0.00 -1.19 -0.08 0.00 -0.94 0.00 0.00 39.48 37.26 1bvm n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bvm s ASN 23 N -1.12 6.34 -0.04 4.37 3.04 -0.98 -4.68 114.94 121.88 1bvm s ASN 23 Ca 0.49 0.38 -0.01 0.00 0.04 0.00 0.00 52.86 53.76 1bvm s ASN 23 Cb 0.39 -2.25 0.00 0.00 -1.54 0.00 0.00 41.25 37.85 1bvm s ASN 23 CO -0.36 -0.26 0.02 -3.20 -3.04 0.00 0.00 177.10 170.26 1bvm n ASN 24 N 5.46 -6.63 -4.26 -4.21 5.15 -1.25 -4.38 115.26 105.14 1bvm n ASN 24 Ca -0.06 0.45 -0.20 0.00 -0.60 0.00 0.00 54.58 54.17 1bvm n ASN 24 Cb 0.50 -1.84 -0.12 0.00 -0.53 0.00 0.00 39.78 37.80 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1bvm s TYR 25 N -1.06 1.57 0.00 1.20 6.14 0.55 -0.31 117.35 125.44 1bvm s TYR 25 Ca 0.01 -0.49 0.00 0.00 0.64 0.00 0.00 57.07 57.23 1bvm s TYR 25 Cb -0.00 -0.83 0.00 0.00 0.42 0.00 0.00 41.96 41.55 1bvm s TYR 25 CO 0.08 0.19 0.00 0.41 0.64 0.00 0.00 175.55 176.88 1bvm n GLY 26 N 0.70 0.38 0.03 8.97 0.00 -1.12 -2.18 105.19 111.97 1bvm n GLY 26 Ca -0.17 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.97 0.00 -2.45 0.00 4.01 -1.25 -2.73 117.16 112.76 1bvm n TYR 28 Ca 0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 1bvm n TYR 28 Cb 0.45 -0.91 -0.02 0.00 -0.31 0.00 0.00 39.34 38.56 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 5.82 -0.74 0.27 0.00 0.00 -1.26 0.21 105.19 109.48 1bvm n GLY 30 Ca 0.45 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1bvm n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bvm h LEU 31 N 0.00 0.96 0.00 0.99 4.07 -1.92 -3.48 115.31 115.93 1bvm h LEU 31 Ca 0.00 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1bvm h LEU 31 Cb 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.48 1bvm h LEU 31 CO 0.00 1.13 0.00 0.61 -1.08 0.00 0.00 178.44 179.10 1bvm n GLY 32 N -0.14 3.45 0.00 0.83 0.00 -1.26 -5.15 105.19 102.91 1bvm n GLY 32 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1bvm n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvm n GLY 33 N -0.90 3.14 0.00 -0.02 0.00 -1.11 -4.96 105.19 101.35 1bvm n GLY 33 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1bvm n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bvm n SER 34 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.95 113.62 111.90 1bvm n SER 34 Ca 0.00 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1bvm n SER 34 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bvm n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bvm n GLY 35 N 0.00 -1.96 3.77 0.46 0.00 -1.26 -4.77 105.19 101.42 1bvm n GLY 35 Ca 0.00 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1bvm n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bvm s THR 36 N 0.00 3.23 0.85 2.61 2.01 -1.26 -5.01 115.64 118.06 1bvm s THR 36 Ca 0.00 1.17 -0.11 0.00 0.31 0.00 0.00 61.69 63.05 1bvm s THR 36 Cb 0.00 -3.71 0.10 0.00 0.01 0.00 0.00 72.50 68.90 1bvm s THR 36 CO 0.00 0.22 1.10 -2.16 -0.69 0.00 0.00 174.62 173.09 1bvm s PRO 37 N -1.82 1.67 -0.16 4.92 0.04 -1.26 -4.85 135.00 133.55 1bvm s PRO 37 Ca 0.50 0.72 0.12 0.00 0.04 0.00 0.00 61.00 62.37 1bvm s PRO 37 Cb -0.33 -1.86 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 1bvm s PRO 37 CO 0.42 -1.93 0.02 1.33 0.04 0.00 0.00 177.00 176.88 1bvm n VAL 38 N -3.65 1.06 -3.61 -0.36 0.24 -1.26 -5.04 118.33 105.70 1bvm n VAL 38 Ca 0.07 -0.61 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 1bvm n VAL 38 Cb 0.56 -0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 1bvm n VAL 38 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1bvm s ASP 39 N -5.04 -0.37 0.20 -1.34 1.01 -1.26 -5.01 116.67 104.86 1bvm s ASP 39 Ca -0.11 -0.28 -0.17 0.00 0.71 0.00 0.00 52.55 52.70 1bvm s ASP 39 Cb 0.05 0.57 0.17 0.00 1.01 0.00 0.00 42.92 44.72 1bvm s ASP 39 CO 0.60 -1.00 1.61 -0.78 0.21 0.00 0.00 175.17 175.80 1bvm h ASP 40 N 2.15 -0.86 -0.90 0.27 1.82 -1.97 0.40 116.42 117.34 1bvm h ASP 40 Ca -0.31 0.20 0.25 0.00 -0.39 0.00 0.00 57.03 56.78 1bvm h ASP 40 Cb 1.28 0.47 -0.15 0.00 0.68 0.00 0.00 39.33 41.61 1bvm h ASP 40 CO 0.39 -0.26 0.26 0.25 -1.61 0.00 0.00 179.24 178.26 1bvm h LEU 41 N -0.10 0.02 -0.44 2.28 5.85 -1.91 0.72 115.31 121.73 1bvm h LEU 41 Ca 0.26 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 1bvm h LEU 41 Cb 0.51 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1bvm h LEU 41 CO -0.64 -0.17 0.16 -0.78 -0.34 0.00 0.00 178.44 176.67 1bvm h ASP 42 N 0.20 0.61 -0.80 1.25 3.58 -0.62 -1.97 116.42 118.68 1bvm h ASP 42 Ca 0.58 -0.18 0.16 0.00 0.42 0.00 0.00 57.03 58.01 1bvm h ASP 42 Cb 1.19 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 42.03 1bvm h ASP 42 CO -0.67 0.62 0.53 0.03 -2.88 0.00 0.00 179.24 176.88 1bvm h ARG 43 N 0.56 0.43 -0.22 0.28 2.47 0.14 0.32 114.38 118.36 1bvm h ARG 43 Ca 0.14 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1bvm h ARG 43 Cb 0.21 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1bvm h ARG 43 CO -0.01 0.28 0.15 0.00 0.56 0.00 0.00 179.97 180.95 1bvm h GLN 46 N 0.69 0.67 -0.00 0.00 4.15 -0.66 0.79 115.11 120.75 1bvm h GLN 46 Ca 0.13 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 1bvm h GLN 46 Cb 0.55 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1bvm h GLN 46 CO 0.03 0.45 -0.73 1.15 -1.93 0.00 0.00 178.83 177.80 1bvm h THR 47 N 0.69 1.51 -0.10 2.39 2.02 -0.80 -2.39 112.91 116.24 1bvm h THR 47 Ca 0.59 -2.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1bvm h THR 47 Cb 1.01 2.33 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1bvm h THR 47 CO -0.38 0.71 0.05 -0.74 0.37 0.00 0.00 175.52 175.52 1bvm h HIS 48 N 0.02 0.14 -0.03 3.16 -0.00 0.18 0.31 115.15 118.93 1bvm h HIS 48 Ca -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1bvm h HIS 48 Cb 1.29 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1bvm h HIS 48 CO 0.00 0.20 0.01 -0.44 -0.00 0.00 0.00 177.93 177.70 1bvm h ASP 49 N 0.04 0.04 -0.26 3.26 3.32 -1.07 -1.97 116.42 119.77 1bvm h ASP 49 Ca 0.03 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.98 1bvm h ASP 49 Cb 0.11 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1bvm h ASP 49 CO -0.00 0.20 0.24 0.78 -1.72 0.00 0.00 179.24 178.73 1bvm h ASN 50 N -0.13 0.00 -0.16 6.45 2.35 -1.27 -0.82 115.58 122.00 1bvm h ASN 50 Ca 0.01 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 1bvm h ASN 50 Cb 0.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.55 1bvm h ASN 50 CO -0.00 0.00 -0.56 0.00 -1.65 0.00 0.00 177.43 175.21 1bvm h TYR 52 N 0.34 0.00 0.07 0.00 0.05 -0.67 -0.76 116.97 116.00 1bvm h TYR 52 Ca -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1bvm h TYR 52 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1bvm h TYR 52 CO 0.10 0.10 -0.03 0.87 -1.05 0.00 0.00 178.16 178.15 1bvm h LYS 53 N 0.00 -0.09 -1.02 4.88 1.79 -1.34 -2.93 116.57 117.85 1bvm h LYS 53 Ca -0.00 0.01 0.27 0.00 -2.18 0.00 0.00 60.65 58.75 1bvm h LYS 53 Cb 0.23 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 1bvm h LYS 53 CO 0.01 0.35 0.69 1.96 -1.08 0.00 0.00 179.45 181.38 1bvm h GLN 54 N -0.97 0.23 -0.61 3.15 4.20 -1.15 0.49 115.11 120.46 1bvm h GLN 54 Ca -0.01 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1bvm h GLN 54 Cb 0.48 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1bvm h GLN 54 CO 0.02 0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 1bvm h ALA 55 N 1.56 0.85 -0.66 3.87 0.00 -1.13 -2.89 119.26 120.85 1bvm h ALA 55 Ca 0.54 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1bvm h ALA 55 Cb 1.66 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1bvm h ALA 55 CO -0.16 0.67 0.10 0.87 0.00 0.00 0.00 179.25 180.74 1bvm h LYS 56 N 0.98 1.10 -0.57 0.00 1.57 0.16 -2.64 116.57 117.16 1bvm h LYS 56 Ca 0.17 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1bvm h LYS 56 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1bvm h LYS 56 CO 0.03 1.01 0.38 -0.22 -0.57 0.00 0.00 179.45 180.08 1bvm h LYS 57 N 1.02 0.66 -6.42 3.15 1.63 -1.21 -3.33 116.57 112.07 1bvm h LYS 57 Ca 0.20 -0.04 -0.63 0.00 -0.85 0.00 0.00 60.65 59.33 1bvm h LYS 57 Cb 0.45 -0.15 0.07 0.00 -0.60 0.00 0.00 32.23 32.00 1bvm h LYS 57 CO 0.01 0.44 0.45 1.28 -3.45 0.00 0.00 179.45 178.18 1bvm n LEU 58 N -4.46 2.16 0.40 5.20 4.77 -1.00 -4.78 117.00 119.28 1bvm n LEU 58 Ca 0.07 1.13 -0.18 0.00 -0.03 0.00 0.00 56.01 57.00 1bvm n LEU 58 Cb 0.13 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 39.83 1bvm n LEU 58 CO 0.35 -0.93 0.60 -0.78 -1.33 0.00 0.00 177.39 175.30 1bvm h ASP 59 N 4.01 -0.83 -0.80 -1.43 3.58 -1.88 0.23 116.42 119.31 1bvm h ASP 59 Ca -0.44 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.17 1bvm h ASP 59 Cb 1.31 0.22 -0.15 0.00 1.72 0.00 0.00 39.33 42.43 1bvm h ASP 59 CO 0.74 -0.57 -0.27 -1.28 -2.88 0.00 0.00 179.24 174.98 1bvm h SER 60 N -1.02 -0.98 -0.53 2.28 0.87 -1.92 0.35 113.55 112.59 1bvm h SER 60 Ca -0.10 0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1bvm h SER 60 Cb 0.76 0.57 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1bvm h SER 60 CO 0.17 -0.28 0.02 0.00 -0.53 0.00 0.00 176.83 176.20 1bvm n LYS 62 N -4.30 0.05 -2.53 0.00 4.81 0.97 -2.63 118.16 114.53 1bvm n LYS 62 Ca 0.02 0.44 -0.27 0.00 -0.87 0.00 0.00 58.31 57.63 1bvm n LYS 62 Cb 0.31 -1.62 -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 0.28 1.17 0.00 0.00 177.40 178.85 1bvm n VAL 63 N -1.72 2.42 0.00 3.15 0.31 0.34 -4.73 118.33 118.10 1bvm n VAL 63 Ca 0.01 -4.98 0.00 0.00 -0.01 0.00 0.00 64.34 59.37 1bvm n VAL 63 Cb 0.09 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bvm n LEU 64 N -0.45 0.00 -0.65 7.52 4.77 -1.08 -4.96 117.00 122.16 1bvm n LEU 64 Ca 0.38 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 1bvm n LEU 64 Cb 0.63 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1bvm n LEU 64 CO 0.33 -0.43 0.25 0.52 -1.33 0.00 0.00 177.39 176.73 1bvm n VAL 65 N -2.29 0.00 -4.15 4.08 0.31 -1.26 -5.02 118.33 110.01 1bvm n VAL 65 Ca 0.00 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 1bvm n VAL 65 Cb 0.00 0.29 -0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1bvm n VAL 65 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1bvm n ASP 66 N 0.04 -0.43 -2.89 4.52 8.00 -1.26 -4.86 116.55 119.67 1bvm n ASP 66 Ca -0.03 -1.19 0.04 0.00 0.71 0.00 0.00 54.79 54.31 1bvm n ASP 66 Cb 0.64 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1bvm n ASP 66 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1bvm s ASN 67 N -4.10 -0.16 0.00 -2.24 -0.87 -1.26 -5.00 114.94 101.31 1bvm s ASN 67 Ca 0.13 -0.04 0.20 0.00 -1.57 0.00 0.00 52.86 51.58 1bvm s ASN 67 Cb -0.07 0.58 0.98 0.00 -0.02 0.00 0.00 41.25 42.71 1bvm s ASN 67 CO 0.92 -0.02 1.62 -0.81 -2.57 0.00 0.00 177.10 176.23 1bvm n PRO 68 N 4.19 0.25 -1.22 -0.60 -0.04 -1.26 -3.23 135.00 133.09 1bvm n PRO 68 Ca 0.07 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.35 1bvm n PRO 68 Cb 0.62 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.31 2.92 0.00 0.54 4.01 -1.26 -4.32 117.16 117.74 1bvm n TYR 69 Ca 0.09 -2.53 0.00 0.00 -0.16 0.00 0.00 57.90 55.29 1bvm n TYR 69 Cb 0.16 -1.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.96 1bvm n TYR 69 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1bvm n THR 70 N -0.80 0.00 -0.05 -0.72 5.66 -1.20 -3.73 114.28 113.44 1bvm n THR 70 Ca 0.57 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.56 1bvm n THR 70 Cb 0.92 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1bvm n THR 70 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 1bvm h ASN 71 N 0.00 0.00 0.00 1.09 -0.73 -1.75 -3.50 115.58 110.69 1bvm h ASN 71 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1bvm h ASN 71 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1bvm h ASN 71 CO 0.00 0.49 0.00 -3.20 -0.37 0.00 0.00 177.43 174.35 1bvm n ASN 72 N -4.54 -0.49 -1.74 1.15 2.85 -1.26 -5.14 115.26 106.09 1bvm n ASN 72 Ca -0.01 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1bvm n ASN 72 Cb 0.03 0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.72 1bvm n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bvm n TYR 73 N -2.25 -3.91 -3.66 1.20 4.19 -1.26 -5.06 117.16 106.41 1bvm n TYR 73 Ca 0.00 2.35 -0.07 0.00 3.31 0.00 0.00 57.90 63.49 1bvm n TYR 73 Cb 0.00 -3.34 -0.09 0.00 0.49 0.00 0.00 39.34 36.40 1bvm n TYR 73 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1bvm s SER 74 N -0.41 -0.45 0.00 2.98 0.15 -1.26 -5.15 113.70 109.56 1bvm s SER 74 Ca 0.00 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1bvm s SER 74 Cb 0.00 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 1bvm s SER 74 CO 0.00 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.21 1bvm n TYR 75 N 5.28 -0.80 -3.81 3.44 4.11 -1.26 -2.90 117.16 121.23 1bvm n TYR 75 Ca -0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.70 1bvm n TYR 75 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.83 1bvm n TYR 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1bvm n SER 76 N -0.80 -1.24 -4.37 9.48 2.88 0.73 -4.90 113.62 115.42 1bvm n SER 76 Ca 0.00 -2.32 -0.18 0.00 -1.33 0.00 0.00 58.87 55.04 1bvm n SER 76 Cb 0.00 2.20 -0.10 0.00 -0.75 0.00 0.00 64.21 65.55 1bvm n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bvm n SER 78 N -0.50 0.00 -4.24 0.00 7.64 -0.50 -4.80 113.62 111.22 1bvm n SER 78 Ca -0.04 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.50 1bvm n SER 78 Cb 0.65 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.78 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bvm n ASN 79 N 0.00 -0.33 -4.21 6.43 3.02 -1.26 0.12 115.26 119.02 1bvm n ASN 79 Ca 0.00 -1.27 -0.36 0.00 -0.03 0.00 0.00 54.58 52.92 1bvm n ASN 79 Cb 0.00 -1.69 -0.03 0.00 -0.61 0.00 0.00 39.78 37.45 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bvm n ASN 80 N -2.72 -2.91 -4.03 6.41 5.03 -1.26 -4.92 115.26 110.85 1bvm n ASN 80 Ca -0.28 -1.02 -0.08 0.00 0.87 0.00 0.00 54.58 54.07 1bvm n ASN 80 Cb 0.67 -2.72 -0.10 0.00 -1.02 0.00 0.00 39.78 36.61 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 -6.92 0.57 -0.02 3.52 2.02 0.32 -4.37 118.70 113.81 1bvm s GLU 81 Ca 0.67 -1.03 -0.15 0.00 0.02 0.00 0.00 54.97 54.48 1bvm s GLU 81 Cb -0.36 0.20 -0.06 0.00 0.10 0.00 0.00 34.13 34.01 1bvm s GLU 81 CO 0.93 -0.11 0.41 0.42 0.02 0.00 0.00 175.26 176.93 1bvm s ILE 82 N -3.29 5.05 -0.56 -1.63 1.01 -1.26 -1.41 121.20 119.11 1bvm s ILE 82 Ca 0.01 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1bvm s ILE 82 Cb 0.03 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 38.92 1bvm s ILE 82 CO -0.08 0.54 0.32 -0.89 0.00 0.00 0.00 174.94 174.84 1bvm s THR 83 N -0.84 2.92 0.17 2.92 2.01 0.51 -4.91 115.64 118.42 1bvm s THR 83 Ca 0.24 -3.29 -0.22 0.00 0.31 0.00 0.00 61.69 58.73 1bvm s THR 83 Cb -0.16 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 1bvm s THR 83 CO 0.13 -0.83 0.72 0.00 -0.69 0.00 0.00 174.62 173.95 1bvm s SER 85 N -1.34 6.02 0.38 0.00 0.15 -1.14 -4.90 113.70 112.86 1bvm s SER 85 Ca 0.38 2.23 0.28 0.00 0.70 0.00 0.00 55.95 59.54 1bvm s SER 85 Cb -0.20 -2.59 1.08 0.00 -1.71 0.00 0.00 66.02 62.60 1bvm s SER 85 CO 0.23 -1.01 1.82 0.77 1.20 0.00 0.00 173.24 176.24 1bvm h SER 86 N 1.72 0.00 -0.11 5.45 4.64 -1.96 -2.90 113.55 120.39 1bvm h SER 86 Ca -0.50 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1bvm h SER 86 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1bvm h SER 86 CO 0.59 0.00 0.13 -0.33 -0.87 0.00 0.00 176.83 176.35 1bvm h GLU 87 N 0.00 0.00 -5.32 4.77 5.08 -1.97 -3.40 114.58 113.74 1bvm h GLU 87 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1bvm h GLU 87 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1bvm h GLU 87 CO 0.00 0.00 1.31 0.09 -1.00 0.00 0.00 179.01 179.41 1bvm n ASN 88 N -3.81 1.21 -3.20 1.42 3.02 -1.10 -4.90 115.26 107.91 1bvm n ASN 88 Ca -0.00 -0.62 -0.10 0.00 -0.03 0.00 0.00 54.58 53.83 1bvm n ASN 88 Cb 0.23 -1.31 0.10 0.00 -0.61 0.00 0.00 39.78 38.19 1bvm n ASN 88 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1bvm n ASN 89 N 14.02 -2.36 -0.08 6.41 0.23 -1.26 -3.17 115.26 129.05 1bvm n ASN 89 Ca 0.50 -0.28 0.26 0.00 -0.53 0.00 0.00 54.58 54.53 1bvm n ASN 89 Cb 0.35 -0.41 0.71 0.00 -2.08 0.00 0.00 39.78 38.35 1bvm n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bvm h ALA 90 N -2.36 2.58 0.00 -2.53 0.00 -1.96 0.15 119.26 115.14 1bvm h ALA 90 Ca -0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1bvm h ALA 90 Cb 0.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bvm h ALA 90 CO 0.08 -1.03 -0.26 0.00 0.00 0.00 0.00 179.25 178.04 1bvm h GLU 92 N -1.00 0.14 -0.06 0.00 4.39 -1.68 -0.43 114.58 115.94 1bvm h GLU 92 Ca -0.02 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1bvm h GLU 92 Cb 0.35 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1bvm h GLU 92 CO -0.01 0.09 -0.87 0.00 -1.16 0.00 0.00 179.01 177.06 1bvm h ALA 93 N 1.76 0.36 -0.50 3.43 0.00 -0.67 -2.19 119.26 121.45 1bvm h ALA 93 Ca 0.23 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1bvm h ALA 93 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1bvm h ALA 93 CO -0.03 0.75 -0.19 0.35 0.00 0.00 0.00 179.25 180.12 1bvm h PHE 94 N 0.35 1.15 -0.22 0.00 3.57 -0.87 -2.48 116.94 118.44 1bvm h PHE 94 Ca -0.07 -0.27 -0.06 0.00 3.53 0.00 0.00 57.97 61.10 1bvm h PHE 94 Cb 1.50 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1bvm h PHE 94 CO 0.07 1.10 -0.08 0.82 -2.23 0.00 0.00 178.31 177.99 1bvm h ILE 95 N 0.87 1.30 0.00 1.41 2.04 -1.27 -2.47 117.51 119.38 1bvm h ILE 95 Ca 0.12 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1bvm h ILE 95 Cb 0.78 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1bvm h ILE 95 CO 0.06 0.34 -0.00 0.00 0.00 0.00 0.00 178.15 178.55 1bvm h ASN 97 N 0.00 0.00 -0.12 0.00 2.35 -0.99 -2.41 115.58 114.41 1bvm h ASN 97 Ca -0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1bvm h ASN 97 Cb 0.03 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1bvm h ASN 97 CO 0.00 1.00 -0.02 0.00 -1.65 0.00 0.00 177.43 176.76 1bvm h ASP 99 N -0.08 0.34 0.68 0.00 3.32 -1.63 -2.69 116.42 116.35 1bvm h ASP 99 Ca 0.03 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1bvm h ASP 99 Cb 0.43 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1bvm h ASP 99 CO 0.01 0.86 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.97 1bvm h ARG 100 N 0.22 -0.88 -0.39 3.56 9.65 -1.35 -1.24 114.38 123.95 1bvm h ARG 100 Ca -0.01 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.05 1bvm h ARG 100 Cb 1.11 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.87 1bvm h ARG 100 CO 0.10 -0.59 0.38 -0.91 2.80 0.00 0.00 179.97 181.75 1bvm h ASN 101 N -1.20 0.00 -0.02 -3.80 2.35 -1.21 -0.61 115.58 111.09 1bvm h ASN 101 Ca -0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1bvm h ASN 101 Cb 0.70 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1bvm h ASN 101 CO 0.15 0.00 -0.43 0.00 -1.65 0.00 0.00 177.43 175.50 1bvm h ALA 102 N 1.61 0.09 -0.22 -0.83 0.00 -1.25 -2.67 119.26 115.98 1bvm h ALA 102 Ca 0.19 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1bvm h ALA 102 Cb 0.95 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1bvm h ALA 102 CO -0.00 0.24 -0.33 0.00 0.00 0.00 0.00 179.25 179.16 1bvm h ALA 103 N 0.34 1.02 -0.05 0.00 0.00 0.04 -2.79 119.26 117.82 1bvm h ALA 103 Ca -0.05 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1bvm h ALA 103 Cb 1.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1bvm h ALA 103 CO 0.09 0.59 -0.46 0.82 0.00 0.00 0.00 179.25 180.29 1bvm h ILE 104 N 0.40 1.33 -0.29 0.00 2.04 -1.22 -3.02 117.51 116.76 1bvm h ILE 104 Ca 0.05 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1bvm h ILE 104 Cb 0.77 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1bvm h ILE 104 CO 0.06 0.47 -0.04 0.00 0.00 0.00 0.00 178.15 178.64 1bvm h PHE 106 N 0.31 0.37 0.00 0.00 0.04 -1.44 0.19 116.94 116.41 1bvm h PHE 106 Ca 0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1bvm h PHE 106 Cb 0.51 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1bvm h PHE 106 CO 0.05 0.15 0.00 -1.13 -0.60 0.00 0.00 178.31 176.77 1bvm n SER 107 N -4.96 0.49 -0.21 2.17 3.41 -1.14 -2.24 113.62 111.14 1bvm n SER 107 Ca 0.05 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1bvm n SER 107 Cb 0.18 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.02 0.55 -4.29 4.33 4.76 0.47 -4.94 118.16 117.02 1bvm n LYS 108 Ca 0.03 -0.43 -0.16 0.00 -2.87 0.00 0.00 58.31 54.89 1bvm n LYS 108 Cb 0.26 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.85 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 -2.74 1.22 0.93 -0.18 -7.23 -0.06 -5.05 120.40 107.29 1bvm s VAL 109 Ca 0.15 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 1bvm s VAL 109 Cb 0.17 -2.04 0.15 0.00 0.56 0.00 0.00 36.38 35.22 1bvm s VAL 109 CO 0.69 -0.59 1.12 -2.16 -0.31 0.00 0.00 175.10 173.85 1bvm s PRO 110 N -3.77 1.00 -0.25 4.82 0.04 -1.26 -4.82 135.00 130.76 1bvm s PRO 110 Ca 0.21 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 1bvm s PRO 110 Cb 0.03 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1bvm s PRO 110 CO 0.04 -2.32 0.03 -0.47 0.04 0.00 0.00 177.00 174.33 1bvm s TYR 111 N -3.17 1.71 -0.76 0.56 5.04 -1.26 -4.66 117.35 114.80 1bvm s TYR 111 Ca 0.64 -1.45 -0.24 0.00 -2.44 0.00 0.00 57.07 53.58 1bvm s TYR 111 Cb -0.16 -1.46 0.06 0.00 0.35 0.00 0.00 41.96 40.75 1bvm s TYR 111 CO 0.55 -0.75 1.17 -0.80 -1.34 0.00 0.00 175.55 174.38 1bvm s ASN 112 N 1.62 6.25 0.63 4.32 0.01 -1.26 -4.85 114.94 121.67 1bvm s ASN 112 Ca 0.01 -0.92 0.24 0.00 -0.71 0.00 0.00 52.86 51.49 1bvm s ASN 112 Cb -0.18 -2.49 1.24 0.00 0.41 0.00 0.00 41.25 40.23 1bvm s ASN 112 CO -0.13 -1.58 1.70 0.11 -1.51 0.00 0.00 177.10 175.69 1bvm h LYS 113 N 9.72 0.00 0.00 -0.60 1.57 -1.97 0.87 116.57 126.16 1bvm h LYS 113 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1bvm h LYS 113 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1bvm h LYS 113 CO 1.25 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 178.22 1bvm n GLU 114 N -3.13 0.14 -0.09 3.15 2.13 -1.26 -2.76 120.64 118.81 1bvm n GLU 114 Ca 0.05 0.08 0.12 0.00 0.66 0.00 0.00 57.16 58.06 1bvm n GLU 114 Cb 0.70 -1.50 0.26 0.00 0.27 0.00 0.00 31.44 31.17 1bvm n GLU 114 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bvm n HIS 115 N -1.42 0.25 -2.40 4.31 8.25 0.30 -4.93 115.22 119.58 1bvm n HIS 115 Ca 0.08 -0.12 -0.40 0.00 -0.26 0.00 0.00 57.72 57.01 1bvm n HIS 115 Cb 0.24 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.75 4.57 -0.90 -0.41 2.20 -1.11 -2.79 119.74 119.55 1bvm s LYS 116 Ca 0.34 1.89 -0.06 0.00 -0.36 0.00 0.00 55.97 57.79 1bvm s LYS 116 Cb 0.21 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1bvm s LYS 116 CO 0.30 0.12 0.75 0.09 -0.36 0.00 0.00 175.35 176.25 1bvm n ASN 117 N 1.08 -6.61 -4.67 1.43 3.02 0.58 -4.93 115.26 105.15 1bvm n ASN 117 Ca -0.01 -0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 53.72 1bvm n ASN 117 Cb 0.44 -4.32 0.13 0.00 -0.61 0.00 0.00 39.78 35.42 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 -4.93 2.33 -0.24 3.41 2.96 -1.25 -5.02 118.68 115.94 1bvm s LEU 118 Ca 0.19 0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 1bvm s LEU 118 Cb -0.05 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1bvm s LEU 118 CO 0.79 -2.34 0.37 -0.62 -1.32 0.00 0.00 176.35 173.23 1bvm s ASP 119 N -4.46 6.32 0.58 3.68 -1.08 -1.26 -4.93 116.67 115.53 1bvm s ASP 119 Ca 0.65 0.38 0.25 0.00 -0.52 0.00 0.00 52.55 53.31 1bvm s ASP 119 Cb -0.11 -2.21 1.36 0.00 -1.46 0.00 0.00 42.92 40.51 1bvm s ASP 119 CO 0.51 -0.12 1.75 0.11 0.52 0.00 0.00 175.17 177.94 1bvm h LYS 120 N 7.77 0.00 0.00 4.34 1.57 -1.96 0.15 116.57 128.45 1bvm h LYS 120 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1bvm h LYS 120 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1bvm h LYS 120 CO 0.68 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.19 1bvm n LYS 121 N -2.67 0.05 0.01 3.15 4.76 -1.26 0.28 118.16 122.48 1bvm n LYS 121 Ca -0.02 0.46 0.11 0.00 -2.87 0.00 0.00 58.31 55.99 1bvm n LYS 121 Cb 0.38 -1.63 0.05 0.00 -1.84 0.00 0.00 35.03 32.00 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bvm n ASN 122 N -1.72 0.68 -0.49 4.39 3.02 0.52 -5.21 115.26 116.44 1bvm n ASN 122 Ca 0.01 -0.46 0.06 0.00 -0.03 0.00 0.00 54.58 54.16 1bvm n ASN 122 Cb 0.07 0.69 0.05 0.00 -0.61 0.00 0.00 39.78 39.98 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64