#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 0.75 0.11 0.00 4.32 -1.26 -4.74 117.00 116.18 1bvm n LEU 2 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.18 1bvm n LEU 2 Cb 0.00 0.00 0.66 0.00 -1.62 0.00 0.00 43.42 42.46 1bvm n LEU 2 CO 0.00 0.01 1.17 4.11 -1.22 0.00 0.00 177.39 181.46 1bvm h TRP 3 N 0.00 0.00 -0.58 -1.77 5.08 -2.03 0.34 115.95 116.99 1bvm h TRP 3 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 1bvm h TRP 3 Cb 0.43 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.56 1bvm h TRP 3 CO 0.00 0.00 0.20 1.96 -1.28 0.00 0.00 178.44 179.32 1bvm h GLN 4 N 0.00 0.87 -0.13 0.12 1.08 -1.99 -2.75 115.11 112.31 1bvm h GLN 4 Ca 0.19 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1bvm h GLN 4 Cb 1.36 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1bvm h GLN 4 CO -0.00 0.73 0.04 0.35 -0.95 0.00 0.00 178.83 179.00 1bvm h PHE 5 N 0.85 0.21 -0.27 2.96 3.57 -0.65 -2.08 116.94 121.52 1bvm h PHE 5 Ca 0.20 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1bvm h PHE 5 Cb 0.22 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1bvm h PHE 5 CO 0.01 0.33 0.28 -0.91 -2.23 0.00 0.00 178.31 175.80 1bvm h ASN 6 N 0.02 0.00 -0.32 0.41 2.35 -1.53 0.40 115.58 116.92 1bvm h ASN 6 Ca 0.04 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.61 1bvm h ASN 6 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1bvm h ASN 6 CO -0.00 0.00 -0.50 1.23 -1.65 0.00 0.00 177.43 176.51 1bvm h GLY 7 N 0.00 0.99 0.83 2.83 0.00 -1.10 -2.45 103.07 104.17 1bvm h GLY 7 Ca 0.13 -1.11 0.03 0.00 0.00 0.00 0.00 47.33 46.37 1bvm h GLY 7 CO -0.00 1.00 0.18 -0.33 0.00 0.00 0.00 176.54 177.39 1bvm h MET 8 N 0.70 0.37 -0.10 4.80 2.86 -0.73 -0.17 114.93 122.66 1bvm h MET 8 Ca 0.03 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bvm h MET 8 Cb 1.11 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1bvm h MET 8 CO 0.12 0.24 0.06 0.82 1.06 0.00 0.00 176.91 179.20 1bvm h ILE 9 N 0.38 1.07 -0.28 -1.22 2.04 -1.48 -2.08 117.51 115.93 1bvm h ILE 9 Ca 0.15 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1bvm h ILE 9 Cb 0.06 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1bvm h ILE 9 CO -0.10 0.06 0.19 0.11 0.00 0.00 0.00 178.15 178.41 1bvm h LYS 10 N 0.08 0.22 -0.75 2.37 1.57 -1.09 0.82 116.57 119.79 1bvm h LYS 10 Ca 0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1bvm h LYS 10 Cb 0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1bvm h LYS 10 CO -0.01 0.14 0.49 0.00 -0.57 0.00 0.00 179.45 179.51 1bvm n LYS 12 N -4.59 0.71 -3.63 0.00 4.76 -0.60 -4.15 118.16 110.67 1bvm n LYS 12 Ca 0.08 0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 55.44 1bvm n LYS 12 Cb 0.05 -1.71 -0.08 0.00 -1.84 0.00 0.00 35.03 31.45 1bvm n LYS 12 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1bvm n ILE 13 N -3.31 2.74 0.22 -0.18 5.41 0.28 -4.84 119.36 119.67 1bvm n ILE 13 Ca -0.29 -5.13 0.11 0.00 1.00 0.00 0.00 62.75 58.45 1bvm n ILE 13 Cb 1.05 -2.27 0.31 0.00 -0.71 0.00 0.00 39.64 38.02 1bvm n ILE 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1bvm h PRO 14 N 5.53 0.00 -0.01 0.38 0.13 -1.69 -3.06 132.00 133.28 1bvm h PRO 14 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1bvm h PRO 14 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1bvm h PRO 14 CO 0.85 0.11 0.00 -1.13 -0.23 0.00 0.00 178.00 177.61 1bvm n SER 15 N -3.16 0.27 -3.94 1.44 3.41 -1.26 -4.83 113.62 105.55 1bvm n SER 15 Ca 0.02 -1.19 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 1bvm n SER 15 Cb 0.50 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.89 0.19 -0.18 4.04 0.01 -1.16 -5.14 113.70 109.57 1bvm s SER 16 Ca 0.42 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 57.05 1bvm s SER 16 Cb 0.20 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 1bvm s SER 16 CO 0.33 -0.48 0.14 -1.61 0.41 0.00 0.00 173.24 172.03 1bvm s GLU 17 N -2.47 4.08 0.00 12.44 2.02 -1.26 -4.81 118.70 128.70 1bvm s GLU 17 Ca -0.06 -0.18 0.21 0.00 0.02 0.00 0.00 54.97 54.96 1bvm s GLU 17 Cb -0.02 -3.38 1.21 0.00 0.10 0.00 0.00 34.13 32.03 1bvm s GLU 17 CO -0.04 0.37 1.62 -0.35 0.02 0.00 0.00 175.26 176.89 1bvm n PRO 18 N 3.27 0.60 -0.00 0.39 -0.04 -1.26 -2.44 135.00 135.52 1bvm n PRO 18 Ca -0.16 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1bvm n PRO 18 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.04 0.15 -0.33 1.53 4.77 -1.26 -3.99 117.00 116.82 1bvm n LEU 19 Ca 0.15 -0.22 0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1bvm n LEU 19 Cb 0.08 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1bvm n LEU 19 CO 0.12 0.04 0.59 0.18 -1.33 0.00 0.00 177.39 176.99 1bvm n LEU 20 N -1.49 2.71 0.00 2.23 4.77 -1.11 -4.74 117.00 119.37 1bvm n LEU 20 Ca -0.00 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1bvm n LEU 20 Cb 0.15 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1bvm n LEU 20 CO 0.15 0.65 0.00 -0.67 -1.33 0.00 0.00 177.39 176.19 1bvm n ASP 21 N -0.71 0.00 -3.70 -1.43 -0.08 -1.02 -4.92 116.55 104.69 1bvm n ASP 21 Ca 0.13 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.99 1bvm n ASP 21 Cb 0.57 0.13 0.01 0.00 2.34 0.00 0.00 41.12 44.17 1bvm n ASP 21 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1bvm n PHE 22 N -2.40 2.62 -4.54 -0.67 3.72 -1.25 -4.94 117.46 110.00 1bvm n PHE 22 Ca 0.00 -2.66 -0.23 0.00 -0.05 0.00 0.00 57.45 54.51 1bvm n PHE 22 Cb 0.00 -1.47 -0.16 0.00 -0.94 0.00 0.00 39.48 36.91 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 -0.73 1.63 -0.26 4.37 2.47 -1.26 -4.75 114.94 116.39 1bvm s ASN 23 Ca 0.41 -0.27 -0.18 0.00 0.42 0.00 0.00 52.86 53.24 1bvm s ASN 23 Cb 0.15 -0.67 0.03 0.00 -1.45 0.00 0.00 41.25 39.30 1bvm s ASN 23 CO -0.05 0.04 0.34 -3.20 -3.72 0.00 0.00 177.10 170.51 1bvm n ASN 24 N 3.67 -6.40 -3.84 -4.21 5.15 -1.24 -4.85 115.26 103.54 1bvm n ASN 24 Ca -0.22 0.28 -0.10 0.00 -0.60 0.00 0.00 54.58 53.94 1bvm n ASN 24 Cb 0.52 -2.36 -0.08 0.00 -0.53 0.00 0.00 39.78 37.33 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 -1.42 0.04 0.00 1.20 6.14 0.60 -3.67 117.35 120.25 1bvm s TYR 25 Ca 0.19 -0.26 0.00 0.00 0.64 0.00 0.00 57.07 57.63 1bvm s TYR 25 Cb -0.02 -0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.34 1bvm s TYR 25 CO 0.53 -0.44 0.00 0.41 0.64 0.00 0.00 175.55 176.68 1bvm n GLY 26 N 0.64 -0.13 0.09 8.97 0.00 -1.26 -2.61 105.19 110.89 1bvm n GLY 26 Ca -0.19 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.15 0.49 -1.52 0.00 4.01 -1.25 -2.26 117.16 113.47 1bvm n TYR 28 Ca -0.05 0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.64 1bvm n TYR 28 Cb 0.88 -0.56 -0.15 0.00 -0.31 0.00 0.00 39.34 39.20 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 6.11 -1.64 0.27 0.00 0.00 -1.26 0.22 105.19 108.89 1bvm n GLY 30 Ca 0.59 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1bvm n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bvm h LEU 31 N 0.00 0.86 -6.00 0.99 5.85 -1.96 -3.44 115.31 111.61 1bvm h LEU 31 Ca 0.00 -0.33 0.24 0.00 0.84 0.00 0.00 57.88 58.62 1bvm h LEU 31 Cb 0.00 -0.24 -0.19 0.00 0.37 0.00 0.00 40.66 40.61 1bvm h LEU 31 CO 0.00 1.08 0.03 -0.83 -0.34 0.00 0.00 178.44 178.37 1bvm s GLY 32 N -3.84 -0.89 0.00 3.75 0.00 -1.26 -5.17 107.32 99.91 1bvm s GLY 32 Ca -0.10 2.22 0.00 0.00 0.00 0.00 0.00 44.72 46.85 1bvm s GLY 32 CO 0.85 4.15 0.00 0.61 0.00 0.00 0.00 173.10 178.71 1bvm n GLY 33 N 5.08 6.10 0.00 0.20 0.00 -1.24 -5.10 105.19 110.23 1bvm n GLY 33 Ca 0.10 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.96 -4.88 113.62 112.27 1bvm n SER 34 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 -0.29 0.77 3.77 0.46 0.00 -1.26 -4.76 105.19 103.87 1bvm n GLY 35 Ca 0.00 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.83 3.01 0.75 2.61 2.01 -1.14 -4.86 115.64 117.19 1bvm s THR 36 Ca 0.00 0.92 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 1bvm s THR 36 Cb 0.00 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 69.01 1bvm s THR 36 CO 0.00 0.14 1.09 -2.16 -0.69 0.00 0.00 174.62 173.00 1bvm s PRO 37 N -2.07 2.36 -0.01 4.92 0.04 -1.26 -4.58 135.00 134.39 1bvm s PRO 37 Ca 0.54 1.20 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1bvm s PRO 37 Cb -0.34 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 1bvm s PRO 37 CO 0.44 -1.57 0.35 1.33 0.04 0.00 0.00 177.00 177.58 1bvm n VAL 38 N -3.33 0.00 -3.79 -0.36 0.24 -1.26 -4.99 118.33 104.84 1bvm n VAL 38 Ca 0.09 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1bvm n VAL 38 Cb 0.53 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 1bvm n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1bvm s ASP 39 N -2.78 -0.25 0.13 -1.34 -1.08 -1.26 -5.02 116.67 105.06 1bvm s ASP 39 Ca -0.01 -0.55 -0.21 0.00 -0.52 0.00 0.00 52.55 51.26 1bvm s ASP 39 Cb 0.08 0.62 -0.02 0.00 -1.46 0.00 0.00 42.92 42.13 1bvm s ASP 39 CO 0.47 -1.13 1.68 -2.24 0.52 0.00 0.00 175.17 174.47 1bvm h ASP 40 N 2.14 -0.35 -0.98 -0.34 3.04 -1.96 -0.87 116.42 117.11 1bvm h ASP 40 Ca -0.26 0.08 0.24 0.00 -3.24 0.00 0.00 57.03 53.84 1bvm h ASP 40 Cb 1.26 0.18 -0.12 0.00 -1.04 0.00 0.00 39.33 39.61 1bvm h ASP 40 CO 0.34 -0.14 0.56 0.25 -2.04 0.00 0.00 179.24 178.20 1bvm h LEU 41 N -0.11 0.61 -0.72 0.15 5.85 -1.92 0.47 115.31 119.64 1bvm h LEU 41 Ca 0.09 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1bvm h LEU 41 Cb 0.25 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1bvm h LEU 41 CO -0.22 0.09 0.43 -0.78 -0.34 0.00 0.00 178.44 177.62 1bvm h ASP 42 N 0.56 0.87 -0.86 1.25 3.58 -1.55 -1.40 116.42 118.87 1bvm h ASP 42 Ca 0.62 -0.07 0.12 0.00 0.42 0.00 0.00 57.03 58.13 1bvm h ASP 42 Cb 1.17 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.94 1bvm h ASP 42 CO -0.48 0.69 0.56 0.03 -2.88 0.00 0.00 179.24 177.15 1bvm h ARG 43 N 0.99 0.72 -0.72 0.28 2.47 0.42 0.75 114.38 119.28 1bvm h ARG 43 Ca 0.26 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.98 1bvm h ARG 43 Cb -0.02 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.08 1bvm h ARG 43 CO -0.05 0.48 0.43 0.00 0.56 0.00 0.00 179.97 181.39 1bvm h GLN 46 N -0.23 0.90 -0.07 0.00 4.15 -0.72 0.58 115.11 119.71 1bvm h GLN 46 Ca 0.01 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1bvm h GLN 46 Cb 0.27 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1bvm h GLN 46 CO 0.00 0.60 -0.57 1.15 -1.93 0.00 0.00 178.83 178.08 1bvm h THR 47 N 0.93 1.38 0.42 2.39 2.02 -0.15 -2.23 112.91 117.66 1bvm h THR 47 Ca 0.43 -1.91 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1bvm h THR 47 Cb 0.41 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1bvm h THR 47 CO -0.19 0.56 -0.20 -0.74 0.37 0.00 0.00 175.52 175.32 1bvm h HIS 48 N 0.18 -0.53 -0.99 3.16 -0.00 0.15 -1.53 115.15 115.59 1bvm h HIS 48 Ca -0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.46 1bvm h HIS 48 Cb 1.06 0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 28.56 1bvm h HIS 48 CO 0.02 -0.24 0.62 -0.44 -0.00 0.00 0.00 177.93 177.89 1bvm h ASP 49 N -0.74 0.94 -0.31 3.26 5.19 -1.31 0.21 116.42 123.66 1bvm h ASP 49 Ca -0.06 0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1bvm h ASP 49 Cb 0.52 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1bvm h ASP 49 CO 0.10 0.54 0.21 0.78 -3.12 0.00 0.00 179.24 177.74 1bvm h ASN 50 N 1.03 0.22 -0.09 6.45 2.35 -1.04 -1.43 115.58 123.08 1bvm h ASN 50 Ca 0.47 -0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 56.00 1bvm h ASN 50 Cb 0.38 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1bvm h ASN 50 CO -0.24 0.15 -0.77 0.00 -1.65 0.00 0.00 177.43 174.93 1bvm h TYR 52 N 0.51 0.00 0.18 0.00 -1.99 -0.63 0.23 116.97 115.27 1bvm h TYR 52 Ca -0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1bvm h TYR 52 Cb 1.39 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.12 1bvm h TYR 52 CO 0.08 0.10 -0.09 0.87 -0.00 0.00 0.00 178.16 179.13 1bvm h LYS 53 N 0.00 -0.23 -0.87 4.88 1.79 -1.27 -2.92 116.57 117.96 1bvm h LYS 53 Ca -0.00 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.65 1bvm h LYS 53 Cb 0.27 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.90 1bvm h LYS 53 CO 0.01 0.06 0.56 1.96 -1.08 0.00 0.00 179.45 180.97 1bvm h GLN 54 N -1.00 0.53 -0.82 3.15 4.20 -1.28 0.15 115.11 120.05 1bvm h GLN 54 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1bvm h GLN 54 Cb 0.40 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1bvm h GLN 54 CO 0.04 0.35 0.49 0.00 -0.67 0.00 0.00 178.83 179.04 1bvm h ALA 55 N 1.62 1.32 -0.21 3.87 0.00 -0.96 -1.81 119.26 123.08 1bvm h ALA 55 Ca 0.44 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1bvm h ALA 55 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1bvm h ALA 55 CO -0.18 0.58 -0.34 0.87 0.00 0.00 0.00 179.25 180.17 1bvm h LYS 56 N 1.13 0.45 -0.48 0.00 1.57 -0.51 -2.83 116.57 115.90 1bvm h LYS 56 Ca 0.29 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1bvm h LYS 56 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1bvm h LYS 56 CO -0.05 0.74 0.25 0.87 -0.57 0.00 0.00 179.45 180.69 1bvm h LYS 57 N 0.39 0.66 -6.57 3.15 1.57 -0.82 -3.27 116.57 111.67 1bvm h LYS 57 Ca 0.04 -0.07 -0.59 0.00 -1.87 0.00 0.00 60.65 58.17 1bvm h LYS 57 Cb 0.79 -0.13 0.14 0.00 0.08 0.00 0.00 32.23 33.10 1bvm h LYS 57 CO 0.06 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.72 1bvm n LEU 58 N -4.40 1.98 0.16 2.94 4.77 -1.06 -4.72 117.00 116.66 1bvm n LEU 58 Ca 0.04 0.98 -0.14 0.00 -0.03 0.00 0.00 56.01 56.85 1bvm n LEU 58 Cb 0.11 -1.29 -0.08 0.00 -2.33 0.00 0.00 43.42 39.83 1bvm n LEU 58 CO 0.37 -1.91 0.78 -0.78 -1.33 0.00 0.00 177.39 174.51 1bvm h ASP 59 N 1.22 -0.28 -0.51 -1.43 1.82 -1.88 0.14 116.42 115.49 1bvm h ASP 59 Ca -0.44 -0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.30 1bvm h ASP 59 Cb 1.36 0.07 -0.10 0.00 0.68 0.00 0.00 39.33 41.34 1bvm h ASP 59 CO 0.55 -0.19 -0.25 0.28 -1.61 0.00 0.00 179.24 178.02 1bvm h SER 60 N -0.35 -0.87 0.50 2.28 0.02 -1.93 0.23 113.55 113.44 1bvm h SER 60 Ca -0.03 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1bvm h SER 60 Cb 0.27 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1bvm h SER 60 CO 0.06 -0.27 -0.34 0.00 -1.14 0.00 0.00 176.83 175.14 1bvm h LYS 62 N 0.00 0.00 0.00 0.00 3.64 0.23 -2.47 116.57 117.97 1bvm h LYS 62 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bvm h LYS 62 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1bvm h LYS 62 CO 0.04 0.01 0.00 1.55 -2.27 0.00 0.00 179.45 178.79 1bvm n VAL 63 N -3.14 0.00 1.07 2.00 3.14 -0.92 -4.72 118.33 115.77 1bvm n VAL 63 Ca -0.01 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.51 1bvm n VAL 63 Cb 0.19 0.00 0.64 0.00 -1.06 0.00 0.00 33.84 33.61 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 -0.61 0.00 -0.91 6.55 4.77 0.73 -4.03 117.00 123.49 1bvm n LEU 64 Ca 0.00 0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1bvm n LEU 64 Cb 0.00 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1bvm n LEU 64 CO 0.00 -0.01 0.29 0.52 -1.33 0.00 0.00 177.39 176.86 1bvm n VAL 65 N -1.46 0.00 -0.97 4.08 0.31 0.16 -4.87 118.33 115.58 1bvm n VAL 65 Ca 0.08 -0.12 -0.31 0.00 -0.01 0.00 0.00 64.34 63.98 1bvm n VAL 65 Cb 0.32 0.44 -0.00 0.00 -0.91 0.00 0.00 33.84 33.68 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 0.06 -2.14 -2.82 4.52 2.03 -0.93 -3.65 116.55 113.61 1bvm n ASP 66 Ca -0.16 0.61 -0.06 0.00 0.52 0.00 0.00 54.79 55.69 1bvm n ASP 66 Cb 0.70 -0.66 0.01 0.00 -0.72 0.00 0.00 41.12 40.45 1bvm n ASP 66 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1bvm n ASN 67 N 1.74 -7.67 0.23 1.67 2.85 -1.26 -4.87 115.26 107.95 1bvm n ASN 67 Ca 0.08 0.41 0.15 0.00 -0.11 0.00 0.00 54.58 55.12 1bvm n ASN 67 Cb 0.30 -5.19 0.59 0.00 1.24 0.00 0.00 39.78 36.72 1bvm n ASN 67 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1bvm h PRO 68 N 1.65 0.00 0.09 1.20 0.13 -1.92 -3.20 132.00 129.95 1bvm h PRO 68 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1bvm h PRO 68 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1bvm h PRO 68 CO 0.21 0.00 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.02 1bvm h TYR 69 N 0.00 -0.11 0.00 1.56 3.20 -1.91 -2.51 116.97 117.20 1bvm h TYR 69 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bvm h TYR 69 Cb 0.52 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1bvm h TYR 69 CO 0.00 0.21 0.00 0.25 -1.64 0.00 0.00 178.16 176.98 1bvm n THR 70 N -5.00 0.14 -1.54 1.81 -2.24 -1.21 -3.63 114.28 102.61 1bvm n THR 70 Ca -0.08 0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 1bvm n THR 70 Cb 0.20 -0.73 0.04 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.09 -0.04 0.11 3.42 5.15 -0.95 -4.65 115.26 117.21 1bvm n ASN 71 Ca 0.13 0.81 -0.02 0.00 -0.60 0.00 0.00 54.58 54.89 1bvm n ASN 71 Cb 0.09 -1.27 0.20 0.00 -0.53 0.00 0.00 39.78 38.27 1bvm n ASN 71 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1bvm h ASN 72 N 0.53 0.20 -4.26 1.20 -1.24 -1.89 -3.40 115.58 106.73 1bvm h ASN 72 Ca -0.46 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.45 1bvm h ASN 72 Cb 1.38 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.37 1bvm h ASN 72 CO 0.50 0.66 -0.84 0.00 -1.29 0.00 0.00 177.43 176.46 1bvm n TYR 73 N -3.96 -4.38 -3.81 0.67 4.19 -1.26 -4.98 117.16 103.63 1bvm n TYR 73 Ca -0.02 2.61 -0.29 0.00 3.31 0.00 0.00 57.90 63.52 1bvm n TYR 73 Cb 0.53 -3.49 -0.16 0.00 0.49 0.00 0.00 39.34 36.70 1bvm n TYR 73 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1bvm s SER 74 N -0.55 3.32 0.32 2.98 0.01 -1.26 -5.11 113.70 113.40 1bvm s SER 74 Ca 0.00 -1.00 -0.19 0.00 1.31 0.00 0.00 55.95 56.07 1bvm s SER 74 Cb 0.00 -0.83 0.04 0.00 0.21 0.00 0.00 66.02 65.44 1bvm s SER 74 CO 0.00 -0.28 0.78 -0.72 0.41 0.00 0.00 173.24 173.43 1bvm s TYR 75 N 1.67 -0.03 0.25 2.43 -0.85 -1.26 -3.40 117.35 116.16 1bvm s TYR 75 Ca -0.02 -0.52 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1bvm s TYR 75 Cb -0.18 0.77 -0.00 0.00 0.38 0.00 0.00 41.96 42.93 1bvm s TYR 75 CO -0.08 -1.36 0.30 0.45 -1.52 0.00 0.00 175.55 173.34 1bvm n SER 76 N -0.95 -0.82 -4.18 -0.18 2.88 0.39 -4.93 113.62 105.84 1bvm n SER 76 Ca -0.06 -2.44 -0.11 0.00 -1.33 0.00 0.00 58.87 54.93 1bvm n SER 76 Cb 0.60 1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 65.57 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 -0.14 0.00 -3.99 0.00 7.64 -0.43 -4.86 113.62 111.84 1bvm n SER 78 Ca -0.06 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.56 1bvm n SER 78 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.29 -4.35 6.43 3.02 -1.26 -0.04 115.26 118.77 1bvm n ASN 79 Ca 0.00 -1.03 -0.39 0.00 -0.03 0.00 0.00 54.58 53.13 1bvm n ASN 79 Cb 0.00 -2.93 -0.05 0.00 -0.61 0.00 0.00 39.78 36.19 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 -2.97 -2.79 -3.93 6.41 5.03 -1.26 -4.90 115.26 110.86 1bvm n ASN 80 Ca -0.30 -1.10 -0.10 0.00 0.87 0.00 0.00 54.58 53.95 1bvm n ASN 80 Cb 0.68 -2.33 -0.10 0.00 -1.02 0.00 0.00 39.78 37.02 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 -7.05 0.55 0.20 3.52 2.02 0.94 -4.67 118.70 114.21 1bvm s GLU 81 Ca 0.78 -0.69 -0.14 0.00 0.02 0.00 0.00 54.97 54.95 1bvm s GLU 81 Cb -0.44 0.22 -0.07 0.00 0.10 0.00 0.00 34.13 33.93 1bvm s GLU 81 CO 0.97 -0.13 0.59 0.42 0.02 0.00 0.00 175.26 177.13 1bvm s ILE 82 N -2.34 4.82 -0.51 -1.63 1.09 -1.26 -1.32 121.20 120.06 1bvm s ILE 82 Ca -0.07 0.80 0.04 0.00 -1.10 0.00 0.00 60.65 60.32 1bvm s ILE 82 Cb -0.03 -3.70 0.13 0.00 -1.06 0.00 0.00 42.46 37.80 1bvm s ILE 82 CO -0.03 0.10 0.25 -0.89 -0.10 0.00 0.00 174.94 174.27 1bvm s THR 83 N -1.63 2.52 -0.23 2.92 2.01 0.55 -4.90 115.64 116.88 1bvm s THR 83 Ca 0.43 -3.24 -0.21 0.00 0.31 0.00 0.00 61.69 58.97 1bvm s THR 83 Cb -0.14 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1bvm s THR 83 CO 0.20 -0.79 0.67 0.00 -0.69 0.00 0.00 174.62 174.01 1bvm n SER 85 N 5.52 2.41 0.28 0.00 2.88 -1.22 -4.82 113.62 118.67 1bvm n SER 85 Ca 0.00 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.82 1bvm n SER 85 Cb 0.49 -1.38 0.81 0.00 -0.75 0.00 0.00 64.21 63.39 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1bvm h SER 86 N 4.03 0.00 -0.09 -3.46 4.64 -1.94 -1.55 113.55 115.19 1bvm h SER 86 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1bvm h SER 86 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1bvm h SER 86 CO 0.74 0.06 0.18 -0.33 -0.87 0.00 0.00 176.83 176.61 1bvm h GLU 87 N 0.00 0.00 -5.63 4.77 5.08 -1.98 -3.41 114.58 113.41 1bvm h GLU 87 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1bvm h GLU 87 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1bvm h GLU 87 CO 0.01 0.00 1.58 0.09 -1.00 0.00 0.00 179.01 179.69 1bvm n ASN 88 N -3.37 1.85 -3.06 1.42 4.13 -0.58 -4.91 115.26 110.74 1bvm n ASN 88 Ca -0.01 0.01 -0.05 0.00 1.68 0.00 0.00 54.58 56.22 1bvm n ASN 88 Cb 0.27 -1.32 0.05 0.00 -1.54 0.00 0.00 39.78 37.24 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 12.32 -2.14 -0.16 6.41 6.94 -1.26 -3.37 115.26 134.00 1bvm n ASN 89 Ca 0.45 -0.14 -0.03 0.00 -0.02 0.00 0.00 54.58 54.83 1bvm n ASN 89 Cb 0.31 -0.18 0.03 0.00 -2.36 0.00 0.00 39.78 37.59 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 -2.16 0.31 0.01 -2.53 0.00 -1.96 0.59 119.26 113.51 1bvm h ALA 90 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bvm h ALA 90 Cb 0.22 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bvm h ALA 90 CO 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 179.25 178.84 1bvm h GLU 92 N -0.30 0.90 -0.04 0.00 4.39 -1.66 -1.51 114.58 116.37 1bvm h GLU 92 Ca -0.00 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1bvm h GLU 92 Cb 0.29 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1bvm h GLU 92 CO 0.00 0.62 -0.69 0.00 -1.16 0.00 0.00 179.01 177.78 1bvm h ALA 93 N 1.55 0.75 0.06 3.43 0.00 0.28 -2.50 119.26 122.83 1bvm h ALA 93 Ca 0.25 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1bvm h ALA 93 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bvm h ALA 93 CO -0.05 0.80 -0.03 0.35 0.00 0.00 0.00 179.25 180.32 1bvm h PHE 94 N 0.14 -0.07 -0.78 0.00 3.04 -0.36 -2.56 116.94 116.34 1bvm h PHE 94 Ca -0.02 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.94 1bvm h PHE 94 Cb 1.24 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.73 1bvm h PHE 94 CO 0.02 0.37 0.52 0.82 -2.02 0.00 0.00 178.31 178.01 1bvm h ILE 95 N -0.54 1.20 0.00 1.41 2.04 -1.36 0.15 117.51 120.41 1bvm h ILE 95 Ca -0.01 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1bvm h ILE 95 Cb 0.47 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1bvm h ILE 95 CO 0.01 0.19 -0.11 0.00 0.00 0.00 0.00 178.15 178.24 1bvm h ASN 97 N 0.00 0.00 -0.15 0.00 2.35 -0.61 -2.94 115.58 114.23 1bvm h ASN 97 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1bvm h ASN 97 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1bvm h ASN 97 CO 0.01 0.84 0.02 0.00 -1.65 0.00 0.00 177.43 176.66 1bvm h ASP 99 N 0.03 0.93 0.30 0.00 3.32 -1.64 -2.49 116.42 116.87 1bvm h ASP 99 Ca 0.04 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 1bvm h ASP 99 Cb 0.31 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1bvm h ASP 99 CO 0.00 1.38 -0.14 -0.09 -1.72 0.00 0.00 179.24 178.67 1bvm h ARG 100 N 0.55 -0.39 -0.25 3.56 2.43 -1.47 0.76 114.38 119.58 1bvm h ARG 100 Ca -0.04 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1bvm h ARG 100 Cb 1.35 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1bvm h ARG 100 CO 0.15 -0.18 0.20 -0.91 -1.51 0.00 0.00 179.97 177.72 1bvm h ASN 101 N -0.52 0.00 -0.00 -3.80 4.21 -0.93 0.26 115.58 114.80 1bvm h ASN 101 Ca -0.04 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 1bvm h ASN 101 Cb 0.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1bvm h ASN 101 CO 0.07 0.00 -0.05 0.00 -1.29 0.00 0.00 177.43 176.16 1bvm h ALA 102 N 1.83 0.01 -0.90 -0.83 0.00 -0.89 -2.64 119.26 115.84 1bvm h ALA 102 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1bvm h ALA 102 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1bvm h ALA 102 CO -0.00 -0.08 0.52 0.00 0.00 0.00 0.00 179.25 179.68 1bvm h ALA 103 N 0.27 1.15 -0.21 0.00 0.00 -0.12 -1.81 119.26 118.55 1bvm h ALA 103 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1bvm h ALA 103 Cb 0.79 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1bvm h ALA 103 CO 0.01 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.68 1bvm h ILE 104 N 1.25 1.16 -0.43 0.00 2.04 -1.03 -2.58 117.51 117.93 1bvm h ILE 104 Ca 0.32 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1bvm h ILE 104 Cb -0.01 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1bvm h ILE 104 CO -0.06 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.44 1bvm h PHE 106 N 0.55 0.97 -0.00 0.00 0.04 -1.25 0.17 116.94 117.43 1bvm h PHE 106 Ca 0.14 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1bvm h PHE 106 Cb 0.26 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1bvm h PHE 106 CO 0.01 0.46 -0.03 -1.13 -0.60 0.00 0.00 178.31 177.01 1bvm n SER 107 N -4.65 0.07 -0.07 2.17 3.41 -1.00 -3.18 113.62 110.37 1bvm n SER 107 Ca 0.13 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 1bvm n SER 107 Cb 0.22 -0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.36 1.05 -4.29 4.33 5.02 0.38 -4.98 118.16 118.32 1bvm n LYS 108 Ca 0.11 -0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 1bvm n LYS 108 Cb 0.29 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1bvm n LYS 108 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1bvm s VAL 109 N -2.64 1.17 1.18 -0.18 -7.23 0.05 -5.05 120.40 107.69 1bvm s VAL 109 Ca 0.08 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 1bvm s VAL 109 Cb 0.14 -2.05 0.29 0.00 0.56 0.00 0.00 36.38 35.32 1bvm s VAL 109 CO 0.71 -0.58 1.16 -0.81 -0.31 0.00 0.00 175.10 175.28 1bvm n PRO 110 N -0.30 -2.69 -3.28 4.82 -0.04 -1.26 -4.81 135.00 127.45 1bvm n PRO 110 Ca -0.08 -1.84 -0.24 0.00 -0.04 0.00 0.00 63.50 61.30 1bvm n PRO 110 Cb 0.62 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1bvm n PRO 110 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1bvm n TYR 111 N -4.62 -1.15 -1.76 0.54 9.36 -1.26 -4.29 117.16 113.99 1bvm n TYR 111 Ca 0.16 -3.14 -0.43 0.00 3.32 0.00 0.00 57.90 57.81 1bvm n TYR 111 Cb 0.59 0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 39.56 1bvm n TYR 111 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1bvm s ASN 112 N -0.18 5.91 0.00 2.98 0.01 -1.26 -4.82 114.94 117.59 1bvm s ASN 112 Ca 0.33 1.97 0.25 0.00 -0.71 0.00 0.00 52.86 54.70 1bvm s ASN 112 Cb 0.07 -2.52 1.36 0.00 0.41 0.00 0.00 41.25 40.57 1bvm s ASN 112 CO -0.17 -1.59 1.86 0.29 -1.51 0.00 0.00 177.10 175.98 1bvm n LYS 113 N 8.23 0.51 -0.02 -0.60 5.02 -1.26 -3.39 118.16 126.66 1bvm n LYS 113 Ca 0.25 0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 56.41 1bvm n LYS 113 Cb 0.44 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.85 1bvm n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1bvm h GLU 114 N 0.00 0.33 0.00 1.97 4.39 -2.03 -2.96 114.58 116.28 1bvm h GLU 114 Ca 0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1bvm h GLU 114 Cb 0.15 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1bvm h GLU 114 CO 0.00 0.98 0.00 0.72 -1.16 0.00 0.00 179.01 179.55 1bvm n HIS 115 N -4.37 0.00 -1.59 4.33 8.25 -1.22 -4.80 115.22 115.82 1bvm n HIS 115 Ca -0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.02 1bvm n HIS 115 Cb 0.56 -0.14 0.08 0.00 1.12 0.00 0.00 29.99 31.61 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 -2.28 2.37 -1.41 -0.41 2.36 -1.12 -3.06 119.74 116.20 1bvm s LYS 116 Ca 0.24 1.80 -0.08 0.00 -2.55 0.00 0.00 55.97 55.38 1bvm s LYS 116 Cb 0.13 -1.86 0.01 0.00 -1.05 0.00 0.00 37.83 35.06 1bvm s LYS 116 CO 0.25 -1.67 0.33 0.09 1.55 0.00 0.00 175.35 175.91 1bvm n ASN 117 N -2.39 -0.92 -4.68 1.43 3.02 -1.24 -4.92 115.26 105.57 1bvm n ASN 117 Ca 0.14 -1.17 -0.29 0.00 -0.03 0.00 0.00 54.58 53.23 1bvm n ASN 117 Cb 0.50 -2.27 0.12 0.00 -0.61 0.00 0.00 39.78 37.51 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 -7.17 2.57 -0.24 3.41 2.96 -1.17 -5.01 118.68 114.03 1bvm s LEU 118 Ca 0.13 0.62 -0.23 0.00 -0.22 0.00 0.00 54.13 54.43 1bvm s LEU 118 Cb -0.06 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1bvm s LEU 118 CO 0.94 -2.15 0.77 -0.62 -1.32 0.00 0.00 176.35 173.98 1bvm s ASP 119 N -4.67 6.76 0.61 3.68 2.15 -1.26 -4.89 116.67 119.04 1bvm s ASP 119 Ca 0.65 0.95 0.27 0.00 0.43 0.00 0.00 52.55 54.85 1bvm s ASP 119 Cb -0.09 -2.41 1.14 0.00 -0.30 0.00 0.00 42.92 41.27 1bvm s ASP 119 CO 0.50 -0.47 1.55 0.11 -0.17 0.00 0.00 175.17 176.69 1bvm h LYS 120 N 7.72 0.00 0.00 4.34 1.57 -1.97 1.30 116.57 129.53 1bvm h LYS 120 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1bvm h LYS 120 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1bvm h LYS 120 CO 0.84 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.35 1bvm n LYS 121 N -3.37 0.12 0.00 3.15 5.02 -1.26 0.52 118.16 122.33 1bvm n LYS 121 Ca 0.15 0.53 0.11 0.00 -2.02 0.00 0.00 58.31 57.08 1bvm n LYS 121 Cb 1.12 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bvm n ASN 122 N -2.06 0.85 -0.71 4.39 3.02 0.45 -5.18 115.26 116.01 1bvm n ASN 122 Ca 0.00 -0.77 0.13 0.00 -0.03 0.00 0.00 54.58 53.91 1bvm n ASN 122 Cb 0.08 0.83 0.32 0.00 -0.61 0.00 0.00 39.78 40.40 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64