#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 1.23 0.26 0.00 -0.00 -1.26 -3.85 117.00 113.39 1bvm n LEU 2 Ca 0.00 -0.36 0.16 0.00 -0.00 0.00 0.00 56.01 55.81 1bvm n LEU 2 Cb 0.00 -0.07 0.58 0.00 -0.00 0.00 0.00 43.42 43.93 1bvm n LEU 2 CO 0.00 0.22 0.96 4.11 -0.00 0.00 0.00 177.39 182.67 1bvm h TRP 3 N 1.71 0.00 -0.56 1.96 5.08 -2.02 -3.05 115.95 119.07 1bvm h TRP 3 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 1bvm h TRP 3 Cb 0.50 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.64 1bvm h TRP 3 CO 0.00 0.00 0.13 1.96 -1.28 0.00 0.00 178.44 179.25 1bvm h GLN 4 N 0.00 0.91 0.04 0.12 1.08 -2.00 -3.01 115.11 112.25 1bvm h GLN 4 Ca 0.00 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1bvm h GLN 4 Cb 0.60 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1bvm h GLN 4 CO 0.00 0.85 -0.02 0.35 -0.95 0.00 0.00 178.83 179.06 1bvm h PHE 5 N 0.81 -0.04 -0.79 2.96 3.57 -1.80 -2.67 116.94 118.97 1bvm h PHE 5 Ca 0.18 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.86 1bvm h PHE 5 Cb 0.35 0.01 -0.13 0.00 2.79 0.00 0.00 35.95 38.98 1bvm h PHE 5 CO 0.02 0.01 0.08 -0.91 -2.23 0.00 0.00 178.31 175.29 1bvm h ASN 6 N -0.09 -0.22 -0.54 0.41 4.21 -1.60 0.26 115.58 118.01 1bvm h ASN 6 Ca -0.00 0.19 0.09 0.00 1.21 0.00 0.00 56.30 57.79 1bvm h ASN 6 Cb 0.08 0.31 -0.07 0.00 -1.12 0.00 0.00 38.32 37.52 1bvm h ASN 6 CO 0.01 -0.16 0.15 1.23 -1.29 0.00 0.00 177.43 177.37 1bvm h GLY 7 N 0.15 0.71 0.41 2.83 0.00 -1.35 -1.89 103.07 103.92 1bvm h GLY 7 Ca 0.45 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1bvm h GLY 7 CO -0.65 -0.05 -0.18 -0.33 0.00 0.00 0.00 176.54 175.33 1bvm h MET 8 N 0.30 -0.22 -1.01 4.80 2.86 -0.38 -0.20 114.93 121.08 1bvm h MET 8 Ca 0.27 0.01 0.26 0.00 -2.06 0.00 0.00 59.70 58.19 1bvm h MET 8 Cb 0.36 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 1bvm h MET 8 CO -0.32 -0.14 0.67 0.82 1.06 0.00 0.00 176.91 178.99 1bvm h ILE 9 N -0.23 0.55 -0.01 -1.22 2.04 -0.92 0.30 117.51 118.02 1bvm h ILE 9 Ca 0.10 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.66 1bvm h ILE 9 Cb 0.37 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1bvm h ILE 9 CO -0.26 0.06 -0.81 0.11 0.00 0.00 0.00 178.15 177.24 1bvm h LYS 10 N 0.32 0.21 0.08 2.37 1.57 -0.72 -1.90 116.57 118.50 1bvm h LYS 10 Ca 0.55 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1bvm h LYS 10 Cb 1.52 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1bvm h LYS 10 CO -0.21 0.91 -0.04 0.00 -0.57 0.00 0.00 179.45 179.54 1bvm h LYS 12 N -0.43 0.24 -2.81 0.00 1.79 -1.45 -3.38 116.57 110.53 1bvm h LYS 12 Ca -0.01 -0.11 -0.59 0.00 -2.18 0.00 0.00 60.65 57.76 1bvm h LYS 12 Cb 0.37 -0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 30.62 1bvm h LYS 12 CO 0.02 0.59 -0.79 0.42 -1.08 0.00 0.00 179.45 178.61 1bvm s ILE 13 N -4.21 0.76 -0.31 1.86 1.01 -0.71 -4.92 121.20 114.68 1bvm s ILE 13 Ca -0.05 -2.08 0.28 0.00 0.00 0.00 0.00 60.65 58.80 1bvm s ILE 13 Cb 0.14 -1.55 0.33 0.00 0.01 0.00 0.00 42.46 41.38 1bvm s ILE 13 CO 0.77 -0.93 1.80 1.55 0.00 0.00 0.00 174.94 178.13 1bvm h PRO 14 N 6.94 0.00 0.00 2.79 0.13 -1.57 -2.93 132.00 137.36 1bvm h PRO 14 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1bvm h PRO 14 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1bvm h PRO 14 CO 0.38 0.00 -0.22 -1.13 -0.23 0.00 0.00 178.00 176.79 1bvm n SER 15 N -2.72 0.27 -4.77 1.44 3.41 -1.26 -4.89 113.62 105.10 1bvm n SER 15 Ca 0.03 0.20 -0.32 0.00 -0.26 0.00 0.00 58.87 58.52 1bvm n SER 15 Cb 0.35 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1bvm n SER 15 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bvm s SER 16 N -3.15 4.18 0.03 4.04 0.01 -1.11 -5.15 113.70 112.55 1bvm s SER 16 Ca 0.12 -1.59 0.04 0.00 1.31 0.00 0.00 55.95 55.84 1bvm s SER 16 Cb 0.18 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 66.83 1bvm s SER 16 CO 0.61 -0.85 -0.12 -1.61 0.41 0.00 0.00 173.24 171.67 1bvm s GLU 17 N -3.91 0.85 0.43 12.44 0.41 -1.26 -4.82 118.70 122.84 1bvm s GLU 17 Ca 0.11 -0.68 0.24 0.00 -0.41 0.00 0.00 54.97 54.23 1bvm s GLU 17 Cb 0.02 -0.83 0.77 0.00 -1.78 0.00 0.00 34.13 32.31 1bvm s GLU 17 CO 0.06 0.21 1.76 -1.00 -0.49 0.00 0.00 175.26 175.79 1bvm h PRO 18 N 5.07 0.00 0.00 0.39 0.13 -1.90 0.27 132.00 135.95 1bvm h PRO 18 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1bvm h PRO 18 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bvm h PRO 18 CO 0.45 0.19 -1.54 1.28 -0.23 0.00 0.00 178.00 178.15 1bvm n LEU 19 N -3.26 0.37 -0.00 1.56 4.77 -1.26 -3.06 117.00 116.12 1bvm n LEU 19 Ca 0.01 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1bvm n LEU 19 Cb 0.47 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1bvm n LEU 19 CO 0.33 0.01 -0.24 0.18 -1.33 0.00 0.00 177.39 176.35 1bvm n LEU 20 N -2.16 0.34 0.00 2.23 4.77 -1.19 -4.44 117.00 116.55 1bvm n LEU 20 Ca -0.01 -0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 55.64 1bvm n LEU 20 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1bvm n LEU 20 CO 0.44 0.08 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.86 1bvm n ASP 21 N -1.49 0.32 -1.93 -1.43 2.03 0.93 -4.73 116.55 110.24 1bvm n ASP 21 Ca 0.01 0.05 -0.17 0.00 0.52 0.00 0.00 54.79 55.19 1bvm n ASP 21 Cb 0.22 -0.23 0.03 0.00 -0.72 0.00 0.00 41.12 40.42 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 -2.80 1.48 -3.74 -0.67 3.72 -1.20 -4.80 117.46 109.45 1bvm n PHE 22 Ca -0.01 -1.94 -0.38 0.00 -0.05 0.00 0.00 57.45 55.08 1bvm n PHE 22 Cb 0.04 -0.98 -0.12 0.00 -0.94 0.00 0.00 39.48 37.47 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 0.26 5.24 -1.11 4.37 2.47 -1.17 -4.45 114.94 120.55 1bvm s ASN 23 Ca 0.33 -0.84 -0.13 0.00 0.42 0.00 0.00 52.86 52.63 1bvm s ASN 23 Cb 0.25 -1.89 -0.04 0.00 -1.45 0.00 0.00 41.25 38.12 1bvm s ASN 23 CO -0.02 -0.24 0.85 -3.20 -3.72 0.00 0.00 177.10 170.76 1bvm n ASN 24 N 4.87 -5.73 -4.40 -4.21 2.85 -1.15 -4.44 115.26 103.05 1bvm n ASN 24 Ca -0.14 -0.87 -0.21 0.00 -0.11 0.00 0.00 54.58 53.26 1bvm n ASN 24 Cb 0.47 -4.25 -0.10 0.00 1.24 0.00 0.00 39.78 37.14 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 -3.44 1.95 0.00 1.20 6.14 0.37 0.74 117.35 124.31 1bvm s TYR 25 Ca 0.45 -0.47 0.00 0.00 0.64 0.00 0.00 57.07 57.69 1bvm s TYR 25 Cb -0.11 -0.88 0.00 0.00 0.42 0.00 0.00 41.96 41.39 1bvm s TYR 25 CO 0.80 0.51 0.00 0.41 0.64 0.00 0.00 175.55 177.91 1bvm n GLY 26 N -0.46 0.13 0.09 8.97 0.00 -0.95 -2.51 105.19 110.45 1bvm n GLY 26 Ca -0.07 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.39 0.00 -1.53 0.00 4.01 -1.25 0.14 117.16 116.14 1bvm n TYR 28 Ca 0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.50 1bvm n TYR 28 Cb 0.50 -0.41 -0.13 0.00 -0.31 0.00 0.00 39.34 38.99 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 6.20 3.83 0.67 0.00 0.00 -1.26 0.14 105.19 114.77 1bvm n GLY 30 Ca 0.55 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.97 1bvm n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bvm n LEU 31 N 0.00 1.96 -3.27 0.99 7.99 -1.26 -4.34 117.00 119.06 1bvm n LEU 31 Ca 0.00 -0.95 -0.26 0.00 -0.01 0.00 0.00 56.01 54.79 1bvm n LEU 31 Cb 0.00 -0.22 -0.07 0.00 -0.11 0.00 0.00 43.42 43.02 1bvm n LEU 31 CO 0.00 0.48 -0.02 0.61 -1.51 0.00 0.00 177.39 176.95 1bvm n GLY 32 N 1.11 4.42 0.00 -0.72 0.00 -1.26 -5.05 105.19 103.69 1bvm n GLY 32 Ca 0.13 -2.43 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 0.76 2.29 3.61 -0.02 0.00 -1.26 -4.96 105.19 105.61 1bvm n GLY 33 Ca 0.28 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.56 1bvm n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvm s SER 34 N 0.00 -0.06 0.00 1.61 1.04 0.37 -4.47 113.70 112.19 1bvm s SER 34 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1bvm s SER 34 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1bvm s SER 34 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1bvm n GLY 35 N -0.41 0.82 3.36 7.32 0.00 -1.26 -4.81 105.19 110.21 1bvm n GLY 35 Ca -0.07 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.77 1.14 -1.29 2.61 -1.04 -1.26 -4.72 114.28 108.95 1bvm n THR 36 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1bvm n THR 36 Cb 0.00 -0.22 0.14 0.00 -1.82 0.00 0.00 70.33 68.43 1bvm n THR 36 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bvm s PRO 37 N -1.25 1.26 -0.00 -2.82 0.04 -1.26 -4.56 135.00 126.41 1bvm s PRO 37 Ca 0.61 0.69 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1bvm s PRO 37 Cb -0.63 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1bvm s PRO 37 CO 0.61 -2.20 0.09 1.33 0.04 0.00 0.00 177.00 176.86 1bvm n VAL 38 N -3.84 0.00 -3.11 -0.36 0.24 -1.26 -4.95 118.33 105.05 1bvm n VAL 38 Ca 0.07 -0.17 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 1bvm n VAL 38 Cb 0.56 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1bvm n VAL 38 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bvm n ASP 39 N -1.47 -0.22 -0.07 -1.34 2.03 -1.26 -5.01 116.55 109.21 1bvm n ASP 39 Ca -0.00 -1.16 -0.14 0.00 0.52 0.00 0.00 54.79 54.01 1bvm n ASP 39 Cb 0.08 0.37 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 1bvm n ASP 39 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1bvm h ASP 40 N 0.19 0.62 -0.92 1.67 5.19 -1.98 -2.72 116.42 118.47 1bvm h ASP 40 Ca -0.03 -0.50 0.01 0.00 -0.62 0.00 0.00 57.03 55.89 1bvm h ASP 40 Cb 0.12 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.41 1bvm h ASP 40 CO 0.04 1.00 0.61 0.25 -3.12 0.00 0.00 179.24 178.01 1bvm h LEU 41 N 0.26 1.04 -1.14 1.55 5.85 -1.93 -1.55 115.31 119.39 1bvm h LEU 41 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1bvm h LEU 41 Cb 0.84 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1bvm h LEU 41 CO 0.07 0.75 0.54 -0.78 -0.34 0.00 0.00 178.44 178.67 1bvm h ASP 42 N 1.23 0.98 -0.92 1.25 1.82 -1.92 -1.37 116.42 117.49 1bvm h ASP 42 Ca 0.34 -0.04 0.11 0.00 -0.39 0.00 0.00 57.03 57.05 1bvm h ASP 42 Cb -0.11 -0.25 -0.07 0.00 0.68 0.00 0.00 39.33 39.58 1bvm h ASP 42 CO -0.08 0.73 0.59 0.03 -1.61 0.00 0.00 179.24 178.89 1bvm h ARG 43 N 1.15 0.87 -0.28 0.28 2.47 -0.96 -0.45 114.38 117.45 1bvm h ARG 43 Ca 0.31 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.96 1bvm h ARG 43 Cb -0.10 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.01 1bvm h ARG 43 CO -0.06 0.57 0.11 0.00 0.56 0.00 0.00 179.97 181.15 1bvm h GLN 46 N 0.67 0.71 -0.13 0.00 4.15 -0.91 0.54 115.11 120.14 1bvm h GLN 46 Ca 0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1bvm h GLN 46 Cb -0.02 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1bvm h GLN 46 CO -0.03 0.47 -0.08 1.15 -1.93 0.00 0.00 178.83 178.41 1bvm h THR 47 N 0.74 1.14 0.20 2.39 2.02 -0.78 -0.94 112.91 117.67 1bvm h THR 47 Ca 0.51 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1bvm h THR 47 Cb 0.70 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1bvm h THR 47 CO -0.35 0.18 -0.10 -0.74 0.37 0.00 0.00 175.52 174.88 1bvm h HIS 48 N 0.18 -0.25 -0.80 3.16 -0.00 0.60 0.55 115.15 118.59 1bvm h HIS 48 Ca 0.04 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1bvm h HIS 48 Cb 0.27 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 1bvm h HIS 48 CO 0.00 0.02 0.50 -0.44 -0.00 0.00 0.00 177.93 178.01 1bvm h ASP 49 N -0.52 0.95 -0.80 3.26 5.19 -1.13 -2.20 116.42 121.17 1bvm h ASP 49 Ca -0.03 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1bvm h ASP 49 Cb 0.39 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1bvm h ASP 49 CO 0.05 0.72 0.45 0.78 -3.12 0.00 0.00 179.24 178.12 1bvm h ASN 50 N 1.09 1.00 0.23 6.45 2.35 -1.03 -1.64 115.58 124.04 1bvm h ASN 50 Ca 0.29 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1bvm h ASN 50 Cb -0.06 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1bvm h ASN 50 CO -0.06 0.80 -0.14 0.00 -1.65 0.00 0.00 177.43 176.38 1bvm h TYR 52 N 0.00 0.00 0.03 0.00 -1.99 -0.81 -1.80 116.97 112.40 1bvm h TYR 52 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1bvm h TYR 52 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1bvm h TYR 52 CO 0.00 0.46 -0.01 0.87 -0.00 0.00 0.00 178.16 179.48 1bvm h LYS 53 N 0.00 -0.04 -0.89 4.88 1.79 -0.96 -2.92 116.57 118.43 1bvm h LYS 53 Ca -0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1bvm h LYS 53 Cb 1.10 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 1bvm h LYS 53 CO 0.06 0.62 0.57 1.96 -1.08 0.00 0.00 179.45 181.58 1bvm h GLN 54 N -0.94 0.73 -0.54 3.15 4.20 -1.40 0.10 115.11 120.42 1bvm h GLN 54 Ca -0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1bvm h GLN 54 Cb 0.67 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1bvm h GLN 54 CO 0.01 0.48 0.17 0.00 -0.67 0.00 0.00 178.83 178.82 1bvm h ALA 55 N 1.59 1.28 0.25 3.87 0.00 -1.36 -1.48 119.26 123.41 1bvm h ALA 55 Ca 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1bvm h ALA 55 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bvm h ALA 55 CO -0.20 0.51 -0.12 0.87 0.00 0.00 0.00 179.25 180.31 1bvm h LYS 56 N 0.78 -0.32 0.00 0.00 1.79 -0.60 -2.78 116.57 115.45 1bvm h LYS 56 Ca 0.18 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1bvm h LYS 56 Cb 0.23 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1bvm h LYS 56 CO -0.01 -0.08 -0.08 0.87 -1.08 0.00 0.00 179.45 179.07 1bvm h LYS 57 N -0.52 0.00 -6.27 3.15 6.56 -1.32 -3.29 116.57 114.88 1bvm h LYS 57 Ca -0.03 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.92 1bvm h LYS 57 Cb 0.39 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.07 1bvm h LYS 57 CO 0.06 0.08 1.04 1.28 -2.06 0.00 0.00 179.45 179.84 1bvm n LEU 58 N -4.30 3.22 -0.02 2.94 4.77 -0.57 -4.67 117.00 118.36 1bvm n LEU 58 Ca -0.03 1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 1bvm n LEU 58 Cb 0.16 -1.33 -0.08 0.00 -2.33 0.00 0.00 43.42 39.83 1bvm n LEU 58 CO 0.34 -0.15 0.53 0.44 -1.33 0.00 0.00 177.39 177.22 1bvm h ASP 59 N 8.59 -1.60 -1.53 -1.43 3.32 -1.86 1.22 116.42 123.12 1bvm h ASP 59 Ca -0.48 0.20 0.49 0.00 0.02 0.00 0.00 57.03 57.26 1bvm h ASP 59 Cb 1.28 0.64 -0.12 0.00 0.22 0.00 0.00 39.33 41.35 1bvm h ASP 59 CO 0.94 -0.46 1.03 0.28 -1.72 0.00 0.00 179.24 179.31 1bvm h SER 60 N -0.53 0.15 0.30 6.45 0.02 -1.93 1.17 113.55 119.19 1bvm h SER 60 Ca 0.06 0.10 -0.30 0.00 -0.84 0.00 0.00 61.79 60.80 1bvm h SER 60 Cb 0.66 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1bvm h SER 60 CO -0.45 -0.16 -1.96 0.00 -1.14 0.00 0.00 176.83 173.13 1bvm n LYS 62 N -2.89 1.53 -0.02 0.00 4.81 0.39 -3.52 118.16 118.44 1bvm n LYS 62 Ca -0.22 -0.81 0.01 0.00 -0.87 0.00 0.00 58.31 56.42 1bvm n LYS 62 Cb 1.06 -1.25 0.01 0.00 0.02 0.00 0.00 35.03 34.87 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 0.10 0.81 -0.01 3.15 3.14 0.19 -4.73 118.33 120.98 1bvm n VAL 63 Ca 0.11 -0.84 -0.02 0.00 -2.96 0.00 0.00 64.34 60.63 1bvm n VAL 63 Cb 0.22 0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 33.54 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 -0.45 0.38 -0.68 6.55 7.99 -1.23 -4.95 117.00 124.61 1bvm n LEU 64 Ca 0.01 0.06 -0.01 0.00 -0.01 0.00 0.00 56.01 56.07 1bvm n LEU 64 Cb 0.36 -0.45 -0.01 0.00 -0.11 0.00 0.00 43.42 43.21 1bvm n LEU 64 CO 0.00 -0.47 0.26 0.52 -1.51 0.00 0.00 177.39 176.18 1bvm n VAL 65 N -2.88 0.00 -4.12 4.08 0.31 -1.26 -5.02 118.33 109.44 1bvm n VAL 65 Ca -0.02 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 63.80 1bvm n VAL 65 Cb 0.09 0.27 -0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 -2.92 -2.69 4.52 9.92 -1.25 -4.87 116.55 119.29 1bvm n ASP 66 Ca -0.05 -1.26 -0.03 0.00 -0.53 0.00 0.00 54.79 52.92 1bvm n ASP 66 Cb 0.63 -1.52 0.03 0.00 -0.64 0.00 0.00 41.12 39.62 1bvm n ASP 66 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1bvm s ASN 67 N -3.74 -0.40 0.00 -2.24 2.47 -1.26 -4.99 114.94 104.78 1bvm s ASN 67 Ca 0.38 -0.46 0.21 0.00 0.42 0.00 0.00 52.86 53.41 1bvm s ASN 67 Cb -0.21 0.53 1.25 0.00 -1.45 0.00 0.00 41.25 41.36 1bvm s ASN 67 CO 0.95 -0.02 1.67 -0.81 -3.72 0.00 0.00 177.10 175.17 1bvm n PRO 68 N 2.71 0.76 -0.46 0.43 -0.04 -1.26 -3.28 135.00 133.85 1bvm n PRO 68 Ca 0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1bvm n PRO 68 Cb 0.64 -1.43 0.17 0.00 -0.04 0.00 0.00 33.50 32.83 1bvm n PRO 68 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1bvm n TYR 69 N -0.93 1.10 -1.59 0.54 9.36 -1.26 -4.02 117.16 120.36 1bvm n TYR 69 Ca 0.16 -0.54 -0.02 0.00 3.32 0.00 0.00 57.90 60.82 1bvm n TYR 69 Cb 0.07 -0.37 -0.02 0.00 -0.63 0.00 0.00 39.34 38.40 1bvm n TYR 69 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1bvm n THR 70 N 0.16 0.00 -1.92 2.97 5.66 -1.21 -3.90 114.28 116.04 1bvm n THR 70 Ca 0.17 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.88 1bvm n THR 70 Cb 0.79 0.12 0.09 0.00 -1.55 0.00 0.00 70.33 69.78 1bvm n THR 70 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1bvm s ASN 71 N -0.24 4.44 -0.60 1.09 2.47 -1.25 -4.87 114.94 115.97 1bvm s ASN 71 Ca 0.00 0.72 -0.27 0.00 0.42 0.00 0.00 52.86 53.73 1bvm s ASN 71 Cb 0.00 -1.20 -0.10 0.00 -1.45 0.00 0.00 41.25 38.50 1bvm s ASN 71 CO 0.00 -1.94 2.47 0.59 -3.72 0.00 0.00 177.10 174.50 1bvm n ASN 72 N -3.32 1.91 -4.43 -4.21 3.02 -1.26 -4.90 115.26 102.07 1bvm n ASN 72 Ca 0.08 -0.43 -0.37 0.00 -0.03 0.00 0.00 54.58 53.84 1bvm n ASN 72 Cb 0.61 -1.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.19 1bvm n ASN 72 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bvm s TYR 73 N 11.70 3.11 -0.12 3.10 6.14 -1.26 -4.93 117.35 135.09 1bvm s TYR 73 Ca 1.05 -0.53 -0.05 0.00 0.64 0.00 0.00 57.07 58.18 1bvm s TYR 73 Cb -0.37 -2.26 0.06 0.00 0.42 0.00 0.00 41.96 39.81 1bvm s TYR 73 CO 0.30 -0.41 0.25 0.45 0.64 0.00 0.00 175.55 176.78 1bvm s SER 74 N 1.60 0.35 0.16 4.32 0.15 -1.26 -5.10 113.70 113.92 1bvm s SER 74 Ca 0.06 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.29 1bvm s SER 74 Cb -0.16 0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1bvm s SER 74 CO 0.04 -0.24 0.17 0.00 1.20 0.00 0.00 173.24 174.42 1bvm n TYR 75 N 5.29 -0.59 -3.93 3.44 0.18 -1.26 -2.46 117.16 117.83 1bvm n TYR 75 Ca -0.07 -1.25 -0.09 0.00 1.88 0.00 0.00 57.90 58.37 1bvm n TYR 75 Cb 0.50 0.19 -0.06 0.00 -0.38 0.00 0.00 39.34 39.59 1bvm n TYR 75 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1bvm s SER 76 N -2.08 -0.08 0.36 9.48 0.01 0.70 -4.91 113.70 117.18 1bvm s SER 76 Ca 0.17 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 56.70 1bvm s SER 76 Cb 0.00 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 1bvm s SER 76 CO 0.12 -1.03 -0.05 0.00 0.41 0.00 0.00 173.24 172.69 1bvm n SER 78 N -0.87 0.00 -4.27 0.00 2.88 -0.61 -4.87 113.62 105.88 1bvm n SER 78 Ca -0.05 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.19 1bvm n SER 78 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.72 -4.09 -3.46 3.02 -1.26 0.17 115.26 110.36 1bvm n ASN 79 Ca 0.00 -1.24 -0.34 0.00 -0.03 0.00 0.00 54.58 52.97 1bvm n ASN 79 Cb 0.00 -1.80 -0.03 0.00 -0.61 0.00 0.00 39.78 37.34 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 -2.89 -2.92 -4.14 6.41 5.03 -1.26 -4.91 115.26 110.58 1bvm n ASN 80 Ca -0.32 -0.90 -0.14 0.00 0.87 0.00 0.00 54.58 54.09 1bvm n ASN 80 Cb 0.70 -2.43 -0.11 0.00 -1.02 0.00 0.00 39.78 36.92 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 -6.77 0.74 -0.05 3.52 2.02 0.46 -4.22 118.70 114.40 1bvm s GLU 81 Ca 0.68 -1.03 -0.12 0.00 0.02 0.00 0.00 54.97 54.52 1bvm s GLU 81 Cb -0.38 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.34 1bvm s GLU 81 CO 0.84 0.07 0.32 0.42 0.02 0.00 0.00 175.26 176.93 1bvm s ILE 82 N -2.11 5.19 -0.20 -1.63 1.01 -1.26 -1.58 121.20 120.62 1bvm s ILE 82 Ca 0.01 0.64 -0.00 0.00 0.00 0.00 0.00 60.65 61.29 1bvm s ILE 82 Cb -0.05 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1bvm s ILE 82 CO -0.00 0.57 -0.14 -0.89 0.00 0.00 0.00 174.94 174.48 1bvm s THR 83 N -0.89 2.48 -0.21 2.92 2.01 0.59 -4.94 115.64 117.61 1bvm s THR 83 Ca 0.21 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1bvm s THR 83 Cb -0.15 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1bvm s THR 83 CO 0.10 0.44 0.04 0.00 -0.69 0.00 0.00 174.62 174.50 1bvm n SER 85 N 4.17 0.99 0.27 0.00 7.64 -1.03 -4.77 113.62 120.88 1bvm n SER 85 Ca -0.17 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.00 1bvm n SER 85 Cb 0.52 -0.97 0.76 0.00 -1.01 0.00 0.00 64.21 63.50 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 4.52 0.00 -0.19 6.43 4.64 -1.96 -1.97 113.55 125.02 1bvm h SER 86 Ca -0.47 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1bvm h SER 86 Cb 1.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 1bvm h SER 86 CO 0.83 0.10 0.27 -0.33 -0.87 0.00 0.00 176.83 176.82 1bvm h GLU 87 N 0.00 0.00 -6.29 4.77 4.39 -1.99 -3.43 114.58 112.04 1bvm h GLU 87 Ca -0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 1bvm h GLU 87 Cb 0.28 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.04 1bvm h GLU 87 CO 0.01 0.00 -0.13 0.09 -1.16 0.00 0.00 179.01 177.83 1bvm n ASN 88 N -3.56 0.30 -2.86 1.42 4.13 -0.74 -4.97 115.26 108.97 1bvm n ASN 88 Ca 0.02 1.16 -0.07 0.00 1.68 0.00 0.00 54.58 57.37 1bvm n ASN 88 Cb 0.38 -1.16 0.01 0.00 -1.54 0.00 0.00 39.78 37.48 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 1.53 0.96 -0.52 6.41 0.23 -1.26 -4.46 115.26 118.15 1bvm n ASN 89 Ca 0.13 -1.50 0.42 0.00 -0.53 0.00 0.00 54.58 53.10 1bvm n ASN 89 Cb 0.29 -0.08 0.73 0.00 -2.08 0.00 0.00 39.78 38.63 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 0.51 3.19 0.00 -2.53 0.00 -1.97 1.11 119.26 119.58 1bvm h ALA 90 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bvm h ALA 90 Cb 0.37 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bvm h ALA 90 CO 0.13 -1.75 -0.23 0.00 0.00 0.00 0.00 179.25 177.40 1bvm h GLU 92 N -0.49 0.00 0.13 0.00 4.81 -1.80 -0.04 114.58 117.19 1bvm h GLU 92 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1bvm h GLU 92 Cb 0.23 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.62 1bvm h GLU 92 CO 0.00 0.00 -0.95 0.00 -0.73 0.00 0.00 179.01 177.33 1bvm h ALA 93 N 1.49 -0.03 -0.88 2.92 0.00 0.11 -2.83 119.26 120.04 1bvm h ALA 93 Ca 0.19 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1bvm h ALA 93 Cb 1.06 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1bvm h ALA 93 CO -0.00 0.48 0.51 0.35 0.00 0.00 0.00 179.25 180.59 1bvm h PHE 94 N -0.37 1.18 -0.32 0.00 3.57 -0.78 -1.56 116.94 118.66 1bvm h PHE 94 Ca -0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 1bvm h PHE 94 Cb 1.66 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1bvm h PHE 94 CO 0.18 0.80 0.03 0.82 -2.23 0.00 0.00 178.31 177.91 1bvm h ILE 95 N 1.22 1.25 0.00 1.41 2.04 -1.28 -2.17 117.51 119.98 1bvm h ILE 95 Ca 0.31 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1bvm h ILE 95 Cb -0.02 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1bvm h ILE 95 CO -0.06 0.29 -0.04 0.00 0.00 0.00 0.00 178.15 178.35 1bvm h ASN 97 N 0.00 0.00 0.23 0.00 4.21 -0.68 -1.87 115.58 117.46 1bvm h ASN 97 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1bvm h ASN 97 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1bvm h ASN 97 CO 0.00 0.56 -0.11 0.00 -1.29 0.00 0.00 177.43 176.59 1bvm h ASP 99 N -0.77 0.29 0.73 0.00 3.32 -1.65 -2.62 116.42 115.73 1bvm h ASP 99 Ca -0.03 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1bvm h ASP 99 Cb 0.51 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.98 1bvm h ASP 99 CO 0.05 0.78 -0.35 -0.09 -1.72 0.00 0.00 179.24 177.91 1bvm h ARG 100 N 0.20 -0.95 -0.09 3.56 9.65 -1.36 -1.60 114.38 123.80 1bvm h ARG 100 Ca 0.00 0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1bvm h ARG 100 Cb 1.03 0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1bvm h ARG 100 CO 0.09 -0.63 0.17 -0.91 2.80 0.00 0.00 179.97 181.48 1bvm h ASN 101 N -1.08 0.00 -0.00 -3.80 4.21 -1.39 -1.96 115.58 111.56 1bvm h ASN 101 Ca -0.10 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.41 1bvm h ASN 101 Cb 0.76 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1bvm h ASN 101 CO 0.17 0.00 -0.00 0.00 -1.29 0.00 0.00 177.43 176.30 1bvm h ALA 102 N 1.74 0.00 -0.20 -0.83 0.00 -1.05 -2.23 119.26 116.69 1bvm h ALA 102 Ca 0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1bvm h ALA 102 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1bvm h ALA 102 CO -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.92 1bvm h ALA 103 N 0.37 1.38 -0.27 0.00 0.00 -0.59 -2.63 119.26 117.51 1bvm h ALA 103 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1bvm h ALA 103 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bvm h ALA 103 CO 0.00 0.43 -0.40 0.82 0.00 0.00 0.00 179.25 180.10 1bvm h ILE 104 N 0.31 1.29 -0.62 0.00 2.04 -1.40 -2.99 117.51 116.14 1bvm h ILE 104 Ca 0.06 -1.57 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 1bvm h ILE 104 Cb 0.45 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1bvm h ILE 104 CO 0.03 0.50 0.04 0.00 0.00 0.00 0.00 178.15 178.72 1bvm h PHE 106 N 0.98 0.62 0.00 0.00 0.04 -1.41 0.39 116.94 117.57 1bvm h PHE 106 Ca 0.18 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1bvm h PHE 106 Cb 0.51 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1bvm h PHE 106 CO 0.04 0.35 0.00 -1.13 -0.60 0.00 0.00 178.31 176.97 1bvm n SER 107 N -4.78 0.00 -0.67 2.17 3.41 -1.09 -2.69 113.62 109.97 1bvm n SER 107 Ca 0.05 0.18 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 1bvm n SER 107 Cb 0.09 -0.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.38 1.39 -4.18 4.33 4.76 -0.04 -4.98 118.16 118.07 1bvm n LYS 108 Ca 0.09 -1.48 -0.11 0.00 -2.87 0.00 0.00 58.31 53.94 1bvm n LYS 108 Cb 0.23 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.45 0.63 0.89 -0.18 -7.23 -0.25 -5.04 120.40 107.77 1bvm s VAL 109 Ca 0.20 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 1bvm s VAL 109 Cb 0.14 -1.78 0.12 0.00 0.56 0.00 0.00 36.38 35.43 1bvm s VAL 109 CO 0.22 -0.78 1.11 -2.16 -0.31 0.00 0.00 175.10 173.18 1bvm s PRO 110 N -3.87 1.32 -0.08 4.82 0.04 -1.26 -4.84 135.00 131.12 1bvm s PRO 110 Ca 0.14 0.54 -0.00 0.00 0.04 0.00 0.00 61.00 61.73 1bvm s PRO 110 Cb 0.06 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1bvm s PRO 110 CO -0.03 -2.13 -0.04 -0.47 0.04 0.00 0.00 177.00 174.36 1bvm s TYR 111 N -3.11 1.06 -0.54 0.56 5.04 -1.26 -4.32 117.35 114.77 1bvm s TYR 111 Ca 0.63 -0.43 -0.19 0.00 -2.44 0.00 0.00 57.07 54.64 1bvm s TYR 111 Cb -0.16 -0.97 0.08 0.00 0.35 0.00 0.00 41.96 41.25 1bvm s TYR 111 CO 0.55 -0.38 0.65 -0.80 -1.34 0.00 0.00 175.55 174.23 1bvm s ASN 112 N 1.62 6.20 0.45 4.32 0.01 -1.26 -4.91 114.94 121.38 1bvm s ASN 112 Ca 0.01 -1.13 0.20 0.00 -0.71 0.00 0.00 52.86 51.23 1bvm s ASN 112 Cb -0.13 -2.29 1.16 0.00 0.41 0.00 0.00 41.25 40.40 1bvm s ASN 112 CO -0.05 -0.97 1.89 0.11 -1.51 0.00 0.00 177.10 176.57 1bvm h LYS 113 N 9.07 0.31 -0.16 -0.60 1.57 -1.98 0.16 116.57 124.94 1bvm h LYS 113 Ca -0.28 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1bvm h LYS 113 Cb 1.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1bvm h LYS 113 CO 1.02 0.20 -0.16 1.49 -0.57 0.00 0.00 179.45 181.44 1bvm h GLU 114 N 0.32 0.26 0.00 3.15 4.57 -2.03 -1.52 114.58 119.33 1bvm h GLU 114 Ca 0.42 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1bvm h GLU 114 Cb 1.14 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1bvm h GLU 114 CO -0.12 0.42 0.00 0.72 -1.18 0.00 0.00 179.01 178.85 1bvm n HIS 115 N -4.24 0.00 -2.52 0.92 8.25 0.56 -4.75 115.22 113.44 1bvm n HIS 115 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1bvm n HIS 115 Cb 0.29 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.27 4.59 -1.27 -0.41 2.20 -0.57 -2.25 119.74 119.76 1bvm s LYS 116 Ca 0.27 1.72 -0.12 0.00 -0.36 0.00 0.00 55.97 57.48 1bvm s LYS 116 Cb 0.15 -3.10 -0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1bvm s LYS 116 CO 0.29 0.20 0.61 0.09 -0.36 0.00 0.00 175.35 176.18 1bvm n ASN 117 N 1.03 -2.88 -4.65 1.43 3.02 0.23 -4.93 115.26 108.50 1bvm n ASN 117 Ca -0.00 -1.03 -0.29 0.00 -0.03 0.00 0.00 54.58 53.23 1bvm n ASN 117 Cb 0.46 -3.12 0.12 0.00 -0.61 0.00 0.00 39.78 36.63 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 -6.77 2.58 -0.17 3.41 2.96 -1.25 -5.01 118.68 114.43 1bvm s LEU 118 Ca 0.25 0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 54.54 1bvm s LEU 118 Cb -0.10 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 1bvm s LEU 118 CO 0.88 -2.17 0.70 -0.62 -1.32 0.00 0.00 176.35 173.82 1bvm s ASP 119 N -4.68 6.81 0.59 3.68 2.15 -1.26 -4.90 116.67 119.06 1bvm s ASP 119 Ca 0.66 0.98 0.31 0.00 0.43 0.00 0.00 52.55 54.94 1bvm s ASP 119 Cb -0.09 -2.39 1.24 0.00 -0.30 0.00 0.00 42.92 41.38 1bvm s ASP 119 CO 0.50 -0.28 1.54 0.11 -0.17 0.00 0.00 175.17 176.87 1bvm h LYS 120 N 7.32 0.00 0.00 4.34 1.57 -1.95 1.85 116.57 129.71 1bvm h LYS 120 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1bvm h LYS 120 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1bvm h LYS 120 CO 0.79 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 180.54 1bvm h LYS 121 N 0.00 0.00 -0.00 3.15 1.57 -2.00 0.29 116.57 119.57 1bvm h LYS 121 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1bvm h LYS 121 Cb 2.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.84 1bvm h LYS 121 CO -0.01 0.00 -0.72 0.09 -0.57 0.00 0.00 179.45 178.25 1bvm n ASN 122 N -2.38 1.17 -0.80 0.86 3.02 0.63 -5.24 115.26 112.51 1bvm n ASN 122 Ca -0.00 -0.98 0.10 0.00 -0.03 0.00 0.00 54.58 53.66 1bvm n ASN 122 Cb 0.12 0.66 0.08 0.00 -0.61 0.00 0.00 39.78 40.04 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64