#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 0.00 0.33 0.00 7.94 -1.26 -3.63 117.00 120.38 1bvm n LEU 2 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1bvm n LEU 2 Cb 0.00 0.00 0.69 0.00 0.53 0.00 0.00 43.42 44.64 1bvm n LEU 2 CO 0.00 0.00 1.10 4.11 -1.11 0.00 0.00 177.39 181.49 1bvm h TRP 3 N 0.00 0.00 -0.53 1.96 5.08 -2.02 0.12 115.95 120.56 1bvm h TRP 3 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.05 1bvm h TRP 3 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 1bvm h TRP 3 CO 0.00 0.00 0.36 1.96 -1.28 0.00 0.00 178.44 179.48 1bvm h GLN 4 N 0.00 0.37 0.08 0.12 1.08 -1.97 -2.04 115.11 112.75 1bvm h GLN 4 Ca 0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1bvm h GLN 4 Cb 0.85 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1bvm h GLN 4 CO 0.00 0.24 -0.04 0.35 -0.95 0.00 0.00 178.83 178.43 1bvm h PHE 5 N 0.38 -0.10 -0.97 2.96 3.57 -1.17 -2.77 116.94 118.84 1bvm h PHE 5 Ca 0.24 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.85 1bvm h PHE 5 Cb 0.45 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1bvm h PHE 5 CO -0.00 0.07 0.62 -0.91 -2.23 0.00 0.00 178.31 175.85 1bvm h ASN 6 N -0.26 0.89 -0.24 0.41 4.21 -1.53 -2.04 115.58 117.02 1bvm h ASN 6 Ca -0.01 0.04 0.06 0.00 1.21 0.00 0.00 56.30 57.59 1bvm h ASN 6 Cb 0.22 -0.15 -0.07 0.00 -1.12 0.00 0.00 38.32 37.20 1bvm h ASN 6 CO 0.02 0.50 -0.21 1.23 -1.29 0.00 0.00 177.43 177.68 1bvm h GLY 7 N 0.97 -0.09 0.42 2.83 0.00 -1.19 0.14 103.07 106.16 1bvm h GLY 7 Ca 0.46 0.26 0.06 0.00 0.00 0.00 0.00 47.33 48.12 1bvm h GLY 7 CO -0.22 -0.19 -0.01 -0.33 0.00 0.00 0.00 176.54 175.79 1bvm h MET 8 N -0.21 0.08 0.00 4.80 2.86 -1.29 0.22 114.93 121.40 1bvm h MET 8 Ca 0.14 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1bvm h MET 8 Cb 0.42 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1bvm h MET 8 CO -0.37 0.05 0.00 0.82 1.06 0.00 0.00 176.91 178.48 1bvm h ILE 9 N 0.08 0.00 0.13 -1.22 2.04 -1.15 -2.50 117.51 114.90 1bvm h ILE 9 Ca 0.17 -0.24 -0.34 0.00 1.00 0.00 0.00 64.86 65.45 1bvm h ILE 9 Cb 0.24 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1bvm h ILE 9 CO -0.30 0.00 -1.77 0.11 0.00 0.00 0.00 178.15 176.19 1bvm h LYS 10 N 0.00 0.28 -0.15 2.37 1.57 0.21 -2.84 116.57 118.00 1bvm h LYS 10 Ca 0.00 -0.47 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1bvm h LYS 10 Cb 0.28 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1bvm h LYS 10 CO 0.00 1.15 -0.60 0.00 -0.57 0.00 0.00 179.45 179.43 1bvm h LYS 12 N 0.38 0.72 -3.26 0.00 1.79 -1.60 -3.38 116.57 111.23 1bvm h LYS 12 Ca -0.00 -0.61 -0.66 0.00 -2.18 0.00 0.00 60.65 57.19 1bvm h LYS 12 Cb 1.15 0.14 -0.38 0.00 -1.58 0.00 0.00 32.23 31.55 1bvm h LYS 12 CO 0.11 1.22 -0.36 0.42 -1.08 0.00 0.00 179.45 179.76 1bvm s ILE 13 N -3.66 3.56 0.15 1.86 1.01 -1.07 -4.87 121.20 118.17 1bvm s ILE 13 Ca -0.11 -3.90 0.13 0.00 0.00 0.00 0.00 60.65 56.78 1bvm s ILE 13 Cb 0.08 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1bvm s ILE 13 CO 0.89 -1.01 1.56 1.55 0.00 0.00 0.00 174.94 177.93 1bvm h PRO 14 N 5.91 0.00 0.00 2.79 0.13 -1.71 -2.99 132.00 136.13 1bvm h PRO 14 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1bvm h PRO 14 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1bvm h PRO 14 CO 0.77 0.60 0.00 -1.13 -0.23 0.00 0.00 178.00 178.01 1bvm n SER 15 N -3.54 0.00 -3.69 1.44 3.41 -1.26 -4.74 113.62 105.23 1bvm n SER 15 Ca -0.00 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 1bvm n SER 15 Cb 0.66 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.68 -0.29 0.21 4.04 0.01 -1.13 -5.15 113.70 108.71 1bvm s SER 16 Ca 0.13 0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.58 1bvm s SER 16 Cb 0.10 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1bvm s SER 16 CO 0.25 -0.57 0.06 -1.61 0.41 0.00 0.00 173.24 171.78 1bvm s GLU 17 N -1.88 2.56 0.00 12.44 0.41 -1.26 -4.77 118.70 126.21 1bvm s GLU 17 Ca -0.09 -1.13 0.20 0.00 -0.41 0.00 0.00 54.97 53.54 1bvm s GLU 17 Cb -0.02 -2.40 1.17 0.00 -1.78 0.00 0.00 34.13 31.10 1bvm s GLU 17 CO 0.02 0.43 1.68 -0.35 -0.49 0.00 0.00 175.26 176.55 1bvm n PRO 18 N -0.54 0.89 -0.03 0.39 -0.04 -1.26 -1.57 135.00 132.85 1bvm n PRO 18 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 1bvm n PRO 18 Cb 0.56 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.85 0.00 -0.42 1.53 4.77 -1.26 -4.25 117.00 116.53 1bvm n LEU 19 Ca 0.15 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1bvm n LEU 19 Cb 0.07 0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1bvm n LEU 19 CO 0.11 0.15 0.34 0.18 -1.33 0.00 0.00 177.39 176.84 1bvm n LEU 20 N -2.19 1.77 0.03 2.23 4.77 -1.21 -4.59 117.00 117.81 1bvm n LEU 20 Ca -0.10 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1bvm n LEU 20 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1bvm n LEU 20 CO 0.15 0.33 0.00 -0.67 -1.33 0.00 0.00 177.39 175.87 1bvm n ASP 21 N 0.24 0.38 -3.48 -1.43 -0.08 -0.61 -4.84 116.55 106.73 1bvm n ASP 21 Ca 0.07 0.08 -0.40 0.00 -1.51 0.00 0.00 54.79 53.03 1bvm n ASP 21 Cb 0.32 -0.09 -0.01 0.00 2.34 0.00 0.00 41.12 43.68 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 -2.91 2.60 -3.97 -0.67 3.72 -1.20 -4.90 117.46 110.12 1bvm n PHE 22 Ca 0.00 -2.87 -0.34 0.00 -0.05 0.00 0.00 57.45 54.18 1bvm n PHE 22 Cb 0.00 -1.98 -0.15 0.00 -0.94 0.00 0.00 39.48 36.42 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 0.79 4.00 -0.82 4.37 3.84 -1.26 -4.51 114.94 121.35 1bvm s ASN 23 Ca 0.56 -0.52 -0.02 0.00 0.21 0.00 0.00 52.86 53.09 1bvm s ASN 23 Cb 0.18 -1.66 -0.01 0.00 -0.55 0.00 0.00 41.25 39.21 1bvm s ASN 23 CO -0.08 -0.03 0.70 -3.20 -2.79 0.00 0.00 177.10 171.70 1bvm n ASN 24 N 4.74 -6.76 -4.19 -4.21 2.85 -1.26 -4.79 115.26 101.64 1bvm n ASN 24 Ca -0.19 -0.43 -0.13 0.00 -0.11 0.00 0.00 54.58 53.73 1bvm n ASN 24 Cb 0.50 -4.20 -0.10 0.00 1.24 0.00 0.00 39.78 37.22 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 -3.06 1.03 0.00 1.20 6.14 -1.26 -2.56 117.35 118.84 1bvm s TYR 25 Ca 0.07 -0.77 0.00 0.00 0.64 0.00 0.00 57.07 57.02 1bvm s TYR 25 Cb -0.02 -0.56 0.00 0.00 0.42 0.00 0.00 41.96 41.80 1bvm s TYR 25 CO 0.80 -0.04 0.00 0.41 0.64 0.00 0.00 175.55 177.36 1bvm n GLY 26 N 0.21 -0.18 0.17 8.97 0.00 -1.26 -3.09 105.19 110.00 1bvm n GLY 26 Ca -0.14 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.93 0.00 -1.93 0.00 4.01 -1.26 -1.72 117.16 115.33 1bvm n TYR 28 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1bvm n TYR 28 Cb 0.34 -0.49 0.02 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.78 -2.34 3.40 0.00 0.00 -1.26 -4.00 105.19 100.20 1bvm n GLY 30 Ca 0.09 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.40 1bvm n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bvm s LEU 31 N -6.26 5.71 0.00 0.99 2.96 -1.26 -4.74 118.68 116.08 1bvm s LEU 31 Ca 0.00 -3.29 0.00 0.00 -0.22 0.00 0.00 54.13 50.62 1bvm s LEU 31 Cb 0.00 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1bvm s LEU 31 CO 0.00 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 1bvm n GLY 32 N 3.40 -0.55 0.00 7.98 0.00 -1.26 -5.09 105.19 109.67 1bvm n GLY 32 Ca 0.30 0.69 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 0.00 3.37 3.18 -0.02 0.00 -1.25 -4.85 105.19 105.62 1bvm n GLY 33 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.31 0.00 1.61 1.04 -0.70 -4.64 113.70 110.70 1bvm s SER 34 Ca 0.00 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1bvm s SER 34 Cb 0.00 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.40 1bvm s SER 34 CO 0.00 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1bvm n GLY 35 N 5.31 -0.22 3.49 7.32 0.00 -1.26 -4.89 105.19 114.93 1bvm n GLY 35 Ca -0.08 -1.64 -0.50 0.00 0.00 0.00 0.00 46.02 43.79 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 5.59 1.24 -1.20 2.61 -1.04 -1.26 -4.84 114.28 115.38 1bvm n THR 36 Ca 0.00 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.44 1bvm n THR 36 Cb 0.00 -0.32 0.21 0.00 -1.82 0.00 0.00 70.33 68.40 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 1.28 -2.39 -0.04 -2.82 -0.04 -1.26 -4.68 135.00 125.05 1bvm n PRO 37 Ca 0.17 -1.59 -0.04 0.00 -0.04 0.00 0.00 63.50 61.99 1bvm n PRO 37 Cb 0.22 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 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 -4.29 0.48 -2.93 0.52 0.24 -1.26 -4.94 118.33 106.14 1bvm n VAL 38 Ca 0.14 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1bvm n VAL 38 Cb 0.51 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.36 0.00 -0.12 -1.34 -0.08 -1.26 -5.01 116.55 106.38 1bvm n ASP 39 Ca -0.12 -0.88 -0.00 0.00 -1.51 0.00 0.00 54.79 52.27 1bvm n ASP 39 Cb 0.71 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.44 1bvm n ASP 39 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1bvm h ASP 40 N 0.00 0.72 0.84 1.67 3.32 -1.99 -1.00 116.42 119.98 1bvm h ASP 40 Ca 0.00 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1bvm h ASP 40 Cb 0.00 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.38 1bvm h ASP 40 CO 0.00 0.61 -0.40 0.25 -1.72 0.00 0.00 179.24 177.98 1bvm h LEU 41 N 0.80 -0.96 -1.31 1.55 7.12 -1.91 -2.30 115.31 118.30 1bvm h LEU 41 Ca 0.20 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.29 1bvm h LEU 41 Cb 0.08 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.41 1bvm h LEU 41 CO -0.03 -0.67 0.50 -0.78 -0.13 0.00 0.00 178.44 177.34 1bvm h ASP 42 N -1.17 0.74 -0.90 1.25 3.58 -1.90 0.31 116.42 118.34 1bvm h ASP 42 Ca -0.12 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.51 1bvm h ASP 42 Cb 0.87 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 1bvm h ASP 42 CO 0.19 0.49 0.58 0.03 -2.88 0.00 0.00 179.24 177.65 1bvm h ARG 43 N 0.85 0.56 -0.45 0.28 2.47 -0.82 0.13 114.38 117.41 1bvm h ARG 43 Ca 0.32 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.92 1bvm h ARG 43 Cb 0.19 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1bvm h ARG 43 CO -0.11 0.37 -0.06 0.00 0.56 0.00 0.00 179.97 180.74 1bvm h GLN 46 N 0.82 0.81 -0.08 0.00 4.15 -1.07 0.11 115.11 119.85 1bvm h GLN 46 Ca 0.21 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 1bvm h GLN 46 Cb 0.09 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1bvm h GLN 46 CO -0.03 0.54 -0.34 1.15 -1.93 0.00 0.00 178.83 178.21 1bvm h THR 47 N 0.83 1.27 0.24 2.39 2.02 -1.15 -1.55 112.91 116.96 1bvm h THR 47 Ca 0.45 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1bvm h THR 47 Cb 0.55 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1bvm h THR 47 CO -0.21 0.38 -0.11 -0.74 0.37 0.00 0.00 175.52 175.21 1bvm h HIS 48 N 0.14 -0.30 -0.38 3.16 -0.00 -0.37 -0.43 115.15 116.97 1bvm h HIS 48 Ca 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 1bvm h HIS 48 Cb 0.68 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 1bvm h HIS 48 CO 0.01 -0.09 0.17 -0.44 -0.00 0.00 0.00 177.93 177.58 1bvm h ASP 49 N -0.45 0.51 -0.59 3.26 3.32 -1.40 -1.69 116.42 119.38 1bvm h ASP 49 Ca -0.03 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 56.97 1bvm h ASP 49 Cb 0.34 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1bvm h ASP 49 CO 0.05 0.51 0.40 0.78 -1.72 0.00 0.00 179.24 179.26 1bvm h ASN 50 N 0.48 0.38 0.16 6.45 4.21 -1.15 -0.41 115.58 125.70 1bvm h ASN 50 Ca 0.13 0.01 -0.19 0.00 1.21 0.00 0.00 56.30 57.45 1bvm h ASN 50 Cb 0.14 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1bvm h ASN 50 CO -0.01 0.23 -0.74 0.00 -1.29 0.00 0.00 177.43 175.61 1bvm h TYR 52 N 0.34 0.00 0.10 0.00 -1.99 -0.22 -0.18 116.97 115.02 1bvm h TYR 52 Ca -0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 1bvm h TYR 52 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1bvm h TYR 52 CO 0.05 0.19 -0.05 0.87 -0.00 0.00 0.00 178.16 179.22 1bvm h LYS 53 N 0.00 -0.13 -0.91 4.88 1.79 -1.19 -2.96 116.57 118.05 1bvm h LYS 53 Ca -0.00 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1bvm h LYS 53 Cb 0.48 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 1bvm h LYS 53 CO 0.02 0.36 0.59 1.96 -1.08 0.00 0.00 179.45 181.30 1bvm h GLN 54 N -0.90 1.03 -0.88 3.15 4.20 -1.36 -0.71 115.11 119.64 1bvm h GLN 54 Ca -0.01 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1bvm h GLN 54 Cb 0.55 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1bvm h GLN 54 CO 0.02 0.68 0.58 0.00 -0.67 0.00 0.00 178.83 179.44 1bvm h ALA 55 N 1.50 1.47 -0.23 3.87 0.00 -1.07 -1.12 119.26 123.69 1bvm h ALA 55 Ca 0.38 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1bvm h ALA 55 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1bvm h ALA 55 CO -0.14 0.43 -0.42 0.87 0.00 0.00 0.00 179.25 179.99 1bvm h LYS 56 N 1.07 0.55 -0.33 0.00 1.57 -0.98 -2.92 116.57 115.53 1bvm h LYS 56 Ca 0.36 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1bvm h LYS 56 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1bvm h LYS 56 CO -0.12 0.87 0.13 -0.22 -0.57 0.00 0.00 179.45 179.55 1bvm h LYS 57 N 0.45 0.45 -6.20 3.15 3.64 -0.52 -3.33 116.57 114.22 1bvm h LYS 57 Ca 0.04 -0.05 -0.70 0.00 -1.27 0.00 0.00 60.65 58.66 1bvm h LYS 57 Cb 0.92 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1bvm h LYS 57 CO 0.08 0.38 0.89 1.28 -2.27 0.00 0.00 179.45 179.81 1bvm n LEU 58 N -4.41 2.57 -0.15 5.20 4.32 -0.93 -4.74 117.00 118.87 1bvm n LEU 58 Ca 0.02 1.06 -0.06 0.00 -0.02 0.00 0.00 56.01 57.01 1bvm n LEU 58 Cb 0.13 -1.21 0.01 0.00 -1.62 0.00 0.00 43.42 40.73 1bvm n LEU 58 CO 0.36 -0.41 0.66 -0.78 -1.22 0.00 0.00 177.39 176.01 1bvm h ASP 59 N 7.33 -0.96 -0.78 -1.43 3.58 -1.89 0.22 116.42 122.48 1bvm h ASP 59 Ca -0.47 0.19 0.14 0.00 0.42 0.00 0.00 57.03 57.31 1bvm h ASP 59 Cb 1.31 0.48 -0.14 0.00 1.72 0.00 0.00 39.33 42.70 1bvm h ASP 59 CO 0.94 -0.29 -0.32 0.77 -2.88 0.00 0.00 179.24 177.46 1bvm h SER 60 N -0.18 -1.16 -0.18 2.28 4.64 -1.94 0.62 113.55 117.63 1bvm h SER 60 Ca 0.21 0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 61.70 1bvm h SER 60 Cb 0.52 0.62 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1bvm h SER 60 CO -0.58 -0.29 -0.17 0.00 -0.87 0.00 0.00 176.83 174.92 1bvm n LYS 62 N -4.16 0.08 -1.57 0.00 4.81 0.18 -3.02 118.16 114.48 1bvm n LYS 62 Ca 0.00 0.16 -0.18 0.00 -0.87 0.00 0.00 58.31 57.42 1bvm n LYS 62 Cb 0.37 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 34.00 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 -1.44 2.60 0.00 3.15 0.31 0.99 -4.77 118.33 119.17 1bvm n VAL 63 Ca 0.06 -3.75 0.00 0.00 -0.01 0.00 0.00 64.34 60.64 1bvm n VAL 63 Cb 0.20 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.85 0.00 -0.63 7.52 4.77 -1.17 -5.00 117.00 121.65 1bvm n LEU 64 Ca 0.41 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1bvm n LEU 64 Cb 0.90 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.98 1bvm n LEU 64 CO 0.34 -0.13 0.26 0.52 -1.33 0.00 0.00 177.39 177.05 1bvm n VAL 65 N -1.40 0.00 -3.94 4.08 0.31 -1.26 -5.02 118.33 111.10 1bvm n VAL 65 Ca 0.00 -0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.99 1bvm n VAL 65 Cb 0.00 0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 1bvm n VAL 65 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1bvm n ASP 66 N 0.02 -1.20 -2.89 4.52 5.68 -1.26 -4.86 116.55 116.56 1bvm n ASP 66 Ca -0.05 -0.98 -0.02 0.00 -0.50 0.00 0.00 54.79 53.25 1bvm n ASP 66 Cb 0.59 -1.19 0.01 0.00 -1.14 0.00 0.00 41.12 39.39 1bvm n ASP 66 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1bvm s ASN 67 N -3.97 -1.20 0.00 -1.12 3.84 -1.26 -4.98 114.94 106.25 1bvm s ASN 67 Ca 0.19 -1.07 0.18 0.00 0.21 0.00 0.00 52.86 52.37 1bvm s ASN 67 Cb -0.11 1.56 1.10 0.00 -0.55 0.00 0.00 41.25 43.25 1bvm s ASN 67 CO 0.75 -0.08 1.60 -0.81 -2.79 0.00 0.00 177.10 175.77 1bvm n PRO 68 N 3.45 0.84 -1.87 0.43 -0.04 -1.26 -3.81 135.00 132.74 1bvm n PRO 68 Ca 0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 1bvm n PRO 68 Cb 0.58 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.84 3.05 0.00 0.54 4.02 -1.26 -4.33 117.16 118.33 1bvm n TYR 69 Ca 0.14 -2.48 0.00 0.00 -0.01 0.00 0.00 57.90 55.55 1bvm n TYR 69 Cb 0.06 -1.15 0.00 0.00 -0.02 0.00 0.00 39.34 38.24 1bvm n TYR 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1bvm n THR 70 N -0.60 0.00 -3.52 -0.72 5.66 -1.24 -4.86 114.28 109.00 1bvm n THR 70 Ca 0.54 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 61.22 1bvm n THR 70 Cb 0.33 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.00 6.60 0.17 1.09 2.47 -1.26 -4.85 114.94 119.16 1bvm s ASN 71 Ca 0.00 0.80 -0.16 0.00 0.42 0.00 0.00 52.86 53.92 1bvm s ASN 71 Cb 0.00 -2.18 0.13 0.00 -1.45 0.00 0.00 41.25 37.75 1bvm s ASN 71 CO 0.00 0.01 1.67 -1.13 -3.72 0.00 0.00 177.10 173.93 1bvm h ASN 72 N 2.86 -0.35 -4.14 -4.21 -0.00 -1.98 -3.33 115.58 104.42 1bvm h ASN 72 Ca -0.47 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 55.96 1bvm h ASN 72 Cb 1.17 0.25 0.00 0.00 -0.00 0.00 0.00 38.32 39.74 1bvm h ASN 72 CO 0.70 -0.12 -0.68 0.00 -0.00 0.00 0.00 177.43 177.32 1bvm n TYR 73 N -5.30 -3.49 -3.74 0.67 4.19 -1.26 -4.70 117.16 103.54 1bvm n TYR 73 Ca 0.03 1.91 -0.14 0.00 3.31 0.00 0.00 57.90 63.01 1bvm n TYR 73 Cb 0.24 -3.12 -0.15 0.00 0.49 0.00 0.00 39.34 36.81 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 -1.28 -0.01 0.33 2.98 0.01 -1.26 -5.07 113.70 109.39 1bvm s SER 74 Ca 0.00 0.30 -0.18 0.00 1.31 0.00 0.00 55.95 57.39 1bvm s SER 74 Cb 0.00 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1bvm s SER 74 CO 0.00 -0.16 0.73 -0.72 0.41 0.00 0.00 173.24 173.50 1bvm s TYR 75 N 1.31 0.02 0.28 2.43 1.13 -1.26 -3.12 117.35 118.14 1bvm s TYR 75 Ca -0.08 -0.57 0.06 0.00 -1.41 0.00 0.00 57.07 55.07 1bvm s TYR 75 Cb -0.12 0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 41.44 1bvm s TYR 75 CO -0.06 -1.38 0.23 0.43 -2.51 0.00 0.00 175.55 172.26 1bvm n SER 76 N -0.93 -0.49 -3.80 -0.18 7.64 0.53 -4.88 113.62 111.51 1bvm n SER 76 Ca -0.06 -2.80 -0.09 0.00 1.01 0.00 0.00 58.87 56.93 1bvm n SER 76 Cb 0.60 1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 65.10 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 -0.36 0.00 -3.64 0.00 2.88 -1.22 -4.90 113.62 106.39 1bvm n SER 78 Ca -0.08 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.26 1bvm n SER 78 Cb 0.62 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.66 -3.92 -3.46 3.02 -1.26 -1.75 115.26 106.22 1bvm n ASN 79 Ca 0.00 -0.76 -0.28 0.00 -0.03 0.00 0.00 54.58 53.51 1bvm n ASN 79 Cb 0.00 -4.35 0.01 0.00 -0.61 0.00 0.00 39.78 34.83 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 -3.06 -2.94 -3.78 6.41 5.03 -1.26 -4.96 115.26 110.70 1bvm n ASN 80 Ca -0.28 -0.87 -0.24 0.00 0.87 0.00 0.00 54.58 54.07 1bvm n ASN 80 Cb 0.67 -3.60 -0.07 0.00 -1.02 0.00 0.00 39.78 35.76 1bvm n ASN 80 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1bvm n GLU 81 N -4.49 0.59 -4.02 3.52 1.02 -0.72 -4.76 120.64 111.77 1bvm n GLU 81 Ca -0.09 -3.32 -0.19 0.00 -0.02 0.00 0.00 57.16 53.53 1bvm n GLU 81 Cb 0.58 1.81 -0.16 0.00 -0.02 0.00 0.00 31.44 33.65 1bvm n GLU 81 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bvm s ILE 82 N -3.03 0.36 0.15 -3.67 1.01 -1.26 -3.43 121.20 111.33 1bvm s ILE 82 Ca 0.20 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.92 1bvm s ILE 82 Cb 0.01 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 1bvm s ILE 82 CO 0.14 0.19 -0.04 -0.89 0.00 0.00 0.00 174.94 174.35 1bvm s THR 83 N 1.05 3.60 -0.01 2.92 2.01 0.54 -4.90 115.64 120.85 1bvm s THR 83 Ca -0.09 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1bvm s THR 83 Cb -0.14 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1bvm s THR 83 CO -0.01 -0.04 -0.03 0.00 -0.69 0.00 0.00 174.62 173.85 1bvm s SER 85 N 0.12 5.52 0.00 0.00 0.15 -1.18 -4.87 113.70 113.44 1bvm s SER 85 Ca -0.01 2.84 0.21 0.00 0.70 0.00 0.00 55.95 59.70 1bvm s SER 85 Cb -0.04 -2.64 0.93 0.00 -1.71 0.00 0.00 66.02 62.55 1bvm s SER 85 CO -0.00 -1.41 1.69 -1.54 1.20 0.00 0.00 173.24 173.17 1bvm n SER 86 N -0.67 0.00 0.28 5.45 3.41 -1.26 -2.87 113.62 117.96 1bvm n SER 86 Ca 0.08 0.46 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 1bvm n SER 86 Cb 0.43 -0.48 0.77 0.00 -0.26 0.00 0.00 64.21 64.67 1bvm n SER 86 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bvm h GLU 87 N 0.00 0.00 -5.92 4.33 5.08 -1.99 -3.43 114.58 112.65 1bvm h GLU 87 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1bvm h GLU 87 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1bvm h GLU 87 CO 0.00 0.08 1.44 0.09 -1.00 0.00 0.00 179.01 179.62 1bvm n ASN 88 N -3.36 1.96 -3.21 1.42 4.13 -1.14 -4.92 115.26 110.14 1bvm n ASN 88 Ca -0.01 0.37 -0.20 0.00 1.68 0.00 0.00 54.58 56.42 1bvm n ASN 88 Cb 0.25 -1.24 0.16 0.00 -1.54 0.00 0.00 39.78 37.42 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 10.02 -1.57 -0.22 6.41 0.23 -1.26 -3.90 115.26 124.96 1bvm n ASN 89 Ca 0.43 -0.98 0.31 0.00 -0.53 0.00 0.00 54.58 53.81 1bvm n ASN 89 Cb 0.22 -0.67 0.63 0.00 -2.08 0.00 0.00 39.78 37.88 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 -2.44 2.89 0.00 -2.53 0.00 -1.98 0.32 119.26 115.51 1bvm h ALA 90 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bvm h ALA 90 Cb 0.83 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1bvm h ALA 90 CO 0.18 -1.49 -0.43 0.00 0.00 0.00 0.00 179.25 177.51 1bvm h GLU 92 N -0.89 0.00 0.01 0.00 5.08 -1.69 -0.63 114.58 116.46 1bvm h GLU 92 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bvm h GLU 92 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1bvm h GLU 92 CO 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1bvm h ALA 93 N 1.57 -0.01 -0.38 3.43 0.00 -0.51 -2.55 119.26 120.82 1bvm h ALA 93 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1bvm h ALA 93 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1bvm h ALA 93 CO -0.00 -0.03 0.18 0.35 0.00 0.00 0.00 179.25 179.75 1bvm h PHE 94 N -0.96 0.51 -0.21 0.00 3.04 -1.22 -1.88 116.94 116.21 1bvm h PHE 94 Ca -0.00 -0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1bvm h PHE 94 Cb 0.82 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.16 1bvm h PHE 94 CO 0.22 0.38 -0.58 0.82 -2.02 0.00 0.00 178.31 177.13 1bvm h ILE 95 N 0.52 1.30 0.00 1.41 1.08 -1.24 -2.53 117.51 118.06 1bvm h ILE 95 Ca 0.13 -1.81 -0.06 0.00 -0.39 0.00 0.00 64.86 62.74 1bvm h ILE 95 Cb 0.06 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1bvm h ILE 95 CO -0.02 0.57 -0.27 0.00 -0.69 0.00 0.00 178.15 177.74 1bvm h ASN 97 N 0.00 0.01 0.02 0.00 2.35 -1.17 -2.73 115.58 114.06 1bvm h ASN 97 Ca -0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1bvm h ASN 97 Cb 0.62 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1bvm h ASN 97 CO 0.04 0.98 -0.01 0.00 -1.65 0.00 0.00 177.43 176.79 1bvm h ASP 99 N -0.35 1.00 0.17 0.00 3.32 -1.63 -1.54 116.42 117.39 1bvm h ASP 99 Ca -0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1bvm h ASP 99 Cb 0.33 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1bvm h ASP 99 CO 0.00 0.96 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.32 1bvm h ARG 100 N 0.99 -0.21 -0.59 3.56 2.43 -1.41 0.33 114.38 119.47 1bvm h ARG 100 Ca 0.21 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.55 1bvm h ARG 100 Cb 0.34 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1bvm h ARG 100 CO -0.00 0.15 0.42 -0.91 -1.51 0.00 0.00 179.97 178.11 1bvm h ASN 101 N -0.62 0.09 0.19 -3.80 2.35 -0.25 0.44 115.58 113.99 1bvm h ASN 101 Ca -0.02 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.44 1bvm h ASN 101 Cb 0.46 -0.01 0.02 0.00 0.05 0.00 0.00 38.32 38.84 1bvm h ASN 101 CO 0.04 0.05 -1.37 0.00 -1.65 0.00 0.00 177.43 174.50 1bvm h ALA 102 N 1.71 -0.03 -0.60 -0.83 0.00 -1.05 -2.89 119.26 115.57 1bvm h ALA 102 Ca 0.28 -0.92 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1bvm h ALA 102 Cb 0.98 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1bvm h ALA 102 CO -0.03 0.71 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 1bvm h ALA 103 N 0.09 0.82 -0.67 0.00 0.00 0.94 -2.17 119.26 118.27 1bvm h ALA 103 Ca -0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1bvm h ALA 103 Cb 1.97 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1bvm h ALA 103 CO 0.19 0.68 0.10 0.82 0.00 0.00 0.00 179.25 181.04 1bvm h ILE 104 N 0.98 1.27 -0.49 0.00 2.04 -0.29 -2.42 117.51 118.60 1bvm h ILE 104 Ca 0.17 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1bvm h ILE 104 Cb 0.59 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1bvm h ILE 104 CO 0.03 0.40 0.19 0.00 0.00 0.00 0.00 178.15 178.77 1bvm h PHE 106 N 0.64 0.93 -0.00 0.00 0.04 -1.19 0.62 116.94 117.99 1bvm h PHE 106 Ca 0.16 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1bvm h PHE 106 Cb 0.21 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1bvm h PHE 106 CO 0.01 0.50 -0.21 -1.13 -0.60 0.00 0.00 178.31 176.87 1bvm n SER 107 N -4.63 0.47 -0.07 2.17 3.41 -0.93 -3.71 113.62 110.33 1bvm n SER 107 Ca 0.11 -0.33 -0.03 0.00 -0.26 0.00 0.00 58.87 58.36 1bvm n SER 107 Cb 0.13 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.16 0.68 -4.05 4.33 4.76 0.19 -4.96 118.16 117.95 1bvm n LYS 108 Ca 0.10 -0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 1bvm n LYS 108 Cb 0.31 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 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 -2.83 4.76 0.73 -0.18 -7.23 0.20 -5.04 120.40 110.81 1bvm s VAL 109 Ca -0.09 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 1bvm s VAL 109 Cb 0.09 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.55 1bvm s VAL 109 CO 0.86 -0.22 1.08 -2.16 -0.31 0.00 0.00 175.10 174.35 1bvm s PRO 110 N -3.50 2.59 0.06 4.82 0.04 -1.26 -4.82 135.00 132.93 1bvm s PRO 110 Ca 0.33 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.51 1bvm s PRO 110 Cb -0.09 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1bvm s PRO 110 CO 0.26 -1.38 -0.05 -0.47 0.04 0.00 0.00 177.00 175.40 1bvm s TYR 111 N -2.91 2.89 -0.66 0.56 5.04 -1.26 -3.89 117.35 117.12 1bvm s TYR 111 Ca 0.60 -0.06 0.03 0.00 -2.44 0.00 0.00 57.07 55.20 1bvm s TYR 111 Cb -0.16 -1.54 0.16 0.00 0.35 0.00 0.00 41.96 40.77 1bvm s TYR 111 CO 0.54 0.42 0.45 -0.80 -1.34 0.00 0.00 175.55 174.82 1bvm s ASN 112 N -1.89 4.87 0.60 4.32 0.01 -1.26 -4.92 114.94 116.68 1bvm s ASN 112 Ca 0.21 -3.45 0.30 0.00 -0.71 0.00 0.00 52.86 49.21 1bvm s ASN 112 Cb -0.11 -1.70 1.70 0.00 0.41 0.00 0.00 41.25 41.54 1bvm s ASN 112 CO 0.12 -0.18 2.10 0.07 -1.51 0.00 0.00 177.10 177.70 1bvm h LYS 113 N 6.03 0.00 -0.15 -0.60 2.10 -1.98 -0.71 116.57 121.25 1bvm h LYS 113 Ca 0.05 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.59 1bvm h LYS 113 Cb 0.83 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1bvm h LYS 113 CO 0.73 0.00 -0.41 1.49 -2.00 0.00 0.00 179.45 179.26 1bvm h GLU 114 N 0.00 0.35 0.00 0.07 4.57 -2.04 -2.54 114.58 114.99 1bvm h GLU 114 Ca 0.08 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1bvm h GLU 114 Cb 0.50 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1bvm h GLU 114 CO -0.00 0.71 0.00 0.72 -1.18 0.00 0.00 179.01 179.26 1bvm n HIS 115 N -4.02 0.00 -1.72 0.92 8.25 -0.28 -4.87 115.22 113.50 1bvm n HIS 115 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1bvm n HIS 115 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 1bvm n HIS 115 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bvm n LYS 116 N -0.86 2.40 -3.16 -0.41 4.81 -0.96 -3.01 118.16 116.97 1bvm n LYS 116 Ca 0.17 0.85 -0.14 0.00 -0.87 0.00 0.00 58.31 58.32 1bvm n LYS 116 Cb 0.08 -2.55 0.06 0.00 0.02 0.00 0.00 35.03 32.64 1bvm n LYS 116 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bvm n ASN 117 N 1.66 -6.50 -4.71 3.14 3.02 -1.06 -4.98 115.26 105.82 1bvm n ASN 117 Ca 0.08 -0.65 -0.29 0.00 -0.03 0.00 0.00 54.58 53.69 1bvm n ASN 117 Cb 0.35 -5.01 0.12 0.00 -0.61 0.00 0.00 39.78 34.63 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 -5.21 2.39 -0.18 3.41 2.96 -1.16 -5.03 118.68 115.85 1bvm s LEU 118 Ca 0.42 0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 54.90 1bvm s LEU 118 Cb -0.05 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1bvm s LEU 118 CO 0.71 -2.24 0.33 -0.62 -1.32 0.00 0.00 176.35 173.20 1bvm s ASP 119 N -4.51 6.42 0.25 3.68 -1.08 -1.26 -4.94 116.67 115.23 1bvm s ASP 119 Ca 0.65 0.49 0.16 0.00 -0.52 0.00 0.00 52.55 53.32 1bvm s ASP 119 Cb -0.10 -2.20 0.86 0.00 -1.46 0.00 0.00 42.92 40.01 1bvm s ASP 119 CO 0.51 0.02 1.47 0.29 0.52 0.00 0.00 175.17 177.98 1bvm n LYS 120 N 4.00 0.10 0.17 4.34 5.02 -1.26 -1.70 118.16 128.83 1bvm n LYS 120 Ca -0.11 0.59 0.12 0.00 -2.02 0.00 0.00 58.31 56.89 1bvm n LYS 120 Cb 0.52 -1.87 0.62 0.00 -0.02 0.00 0.00 35.03 34.27 1bvm n LYS 120 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1bvm h LYS 121 N 0.00 0.00 0.00 1.97 6.56 -2.03 0.77 116.57 123.85 1bvm h LYS 121 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1bvm h LYS 121 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 1bvm h LYS 121 CO 0.00 0.00 -0.81 0.09 -2.06 0.00 0.00 179.45 176.67 1bvm n ASN 122 N -2.30 0.76 -0.55 0.86 3.02 -0.69 -5.20 115.26 111.16 1bvm n ASN 122 Ca -0.01 -0.63 0.07 0.00 -0.03 0.00 0.00 54.58 53.97 1bvm n ASN 122 Cb 0.04 0.69 0.06 0.00 -0.61 0.00 0.00 39.78 39.97 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64