#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 1.98 0.19 0.00 4.77 -1.26 -4.49 117.00 118.18 1bvm n LEU 2 Ca 0.00 -1.10 0.05 0.00 -0.03 0.00 0.00 56.01 54.93 1bvm n LEU 2 Cb 0.00 -0.02 0.36 0.00 -2.33 0.00 0.00 43.42 41.43 1bvm n LEU 2 CO 0.00 0.40 0.69 4.11 -1.33 0.00 0.00 177.39 181.26 1bvm h TRP 3 N 2.06 0.00 -0.44 -1.77 5.08 -2.01 -3.07 115.95 115.80 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 0.47 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.61 1bvm h TRP 3 CO 0.02 0.38 0.12 1.96 -1.28 0.00 0.00 178.44 179.64 1bvm h GLN 4 N 0.00 0.70 0.90 0.12 4.20 -1.99 -2.46 115.11 116.58 1bvm h GLN 4 Ca -0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1bvm h GLN 4 Cb 0.84 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1bvm h GLN 4 CO 0.05 0.69 -0.50 0.35 -0.67 0.00 0.00 178.83 178.75 1bvm h PHE 5 N 0.58 -1.31 -0.94 2.96 3.57 -1.84 -2.45 116.94 117.51 1bvm h PHE 5 Ca 0.14 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 61.88 1bvm h PHE 5 Cb 0.30 0.45 -0.14 0.00 2.79 0.00 0.00 35.95 39.35 1bvm h PHE 5 CO 0.02 -0.76 0.43 -0.91 -2.23 0.00 0.00 178.31 174.85 1bvm h ASN 6 N -1.29 0.33 -0.84 0.41 4.21 -1.55 0.60 115.58 117.45 1bvm h ASN 6 Ca -0.12 0.18 0.13 0.00 1.21 0.00 0.00 56.30 57.69 1bvm h ASN 6 Cb 1.01 0.17 -0.09 0.00 -1.12 0.00 0.00 38.32 38.29 1bvm h ASN 6 CO 0.16 -0.09 0.45 1.23 -1.29 0.00 0.00 177.43 177.90 1bvm h GLY 7 N 0.33 1.34 1.04 2.83 0.00 -0.97 0.14 103.07 107.79 1bvm h GLY 7 Ca 0.63 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 1bvm h GLY 7 CO -0.59 0.03 -0.10 -0.33 0.00 0.00 0.00 176.54 175.55 1bvm h MET 8 N 0.69 0.90 -0.25 4.80 2.86 0.44 -2.26 114.93 122.12 1bvm h MET 8 Ca 0.44 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1bvm h MET 8 Cb 0.54 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1bvm h MET 8 CO -0.32 0.99 0.01 0.82 1.06 0.00 0.00 176.91 179.47 1bvm h ILE 9 N 0.75 1.15 0.00 -1.22 2.04 -0.37 -1.33 117.51 118.53 1bvm h ILE 9 Ca 0.12 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1bvm h ILE 9 Cb 0.65 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1bvm h ILE 9 CO 0.04 0.20 -0.27 0.11 0.00 0.00 0.00 178.15 178.23 1bvm h LYS 10 N 0.36 0.00 0.33 2.37 1.57 -0.43 -2.63 116.57 118.14 1bvm h LYS 10 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1bvm h LYS 10 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1bvm h LYS 10 CO 0.00 0.27 -0.16 0.00 -0.57 0.00 0.00 179.45 179.00 1bvm h LYS 12 N -0.96 0.61 -2.99 0.00 1.79 -1.58 -3.35 116.57 110.08 1bvm h LYS 12 Ca -0.05 -0.09 -0.61 0.00 -2.18 0.00 0.00 60.65 57.72 1bvm h LYS 12 Cb 0.51 -0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 30.65 1bvm h LYS 12 CO 0.08 0.52 -0.72 0.42 -1.08 0.00 0.00 179.45 178.66 1bvm s ILE 13 N -5.25 1.63 0.09 1.86 1.01 -0.99 -4.90 121.20 114.66 1bvm s ILE 13 Ca -0.08 -2.86 -0.08 0.00 0.00 0.00 0.00 60.65 57.63 1bvm s ILE 13 Cb 0.16 -2.13 -0.25 0.00 0.01 0.00 0.00 42.46 40.25 1bvm s ILE 13 CO 0.76 -0.93 1.18 1.55 0.00 0.00 0.00 174.94 177.51 1bvm h PRO 14 N 6.45 0.43 0.00 2.79 0.13 -1.61 -3.24 132.00 136.94 1bvm h PRO 14 Ca 0.02 -0.57 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 1bvm h PRO 14 Cb 0.90 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bvm h PRO 14 CO 0.53 1.23 -0.11 0.66 -0.23 0.00 0.00 178.00 180.07 1bvm h SER 15 N 0.19 0.00 -3.31 1.44 4.64 -1.92 -3.39 113.55 111.20 1bvm h SER 15 Ca -0.13 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.52 1bvm h SER 15 Cb 1.83 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.62 1bvm h SER 15 CO 0.20 0.11 -0.76 -0.55 -0.87 0.00 0.00 176.83 174.97 1bvm s SER 16 N -6.80 3.98 0.30 4.97 0.15 -1.22 -5.10 113.70 109.98 1bvm s SER 16 Ca -0.04 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.02 1bvm s SER 16 Cb 0.16 -1.66 -0.09 0.00 -1.71 0.00 0.00 66.02 62.72 1bvm s SER 16 CO 0.66 0.02 0.72 -1.61 1.20 0.00 0.00 173.24 174.23 1bvm s GLU 17 N 1.23 4.04 -0.05 5.44 8.01 -1.26 -4.83 118.70 131.27 1bvm s GLU 17 Ca 0.03 0.68 -0.18 0.00 0.01 0.00 0.00 54.97 55.51 1bvm s GLU 17 Cb -0.14 -2.52 -0.13 0.00 -4.31 0.00 0.00 34.13 27.03 1bvm s GLU 17 CO -0.04 0.21 0.73 -1.00 0.01 0.00 0.00 175.26 175.17 1bvm h PRO 18 N 2.47 -0.27 0.00 0.39 0.13 -1.92 -1.69 132.00 131.11 1bvm h PRO 18 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1bvm h PRO 18 Cb 1.18 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bvm h PRO 18 CO 0.65 0.08 0.12 -0.07 -0.23 0.00 0.00 178.00 178.55 1bvm h LEU 19 N -0.95 0.00 -2.97 1.56 3.38 -1.95 0.28 115.31 114.66 1bvm h LEU 19 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1bvm h LEU 19 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1bvm h LEU 19 CO 0.05 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.76 1bvm n LEU 20 N -2.94 3.33 0.13 1.67 4.77 -1.20 -4.69 117.00 118.06 1bvm n LEU 20 Ca -0.03 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 1bvm n LEU 20 Cb 0.18 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1bvm n LEU 20 CO 0.17 0.74 0.00 -0.67 -1.33 0.00 0.00 177.39 176.30 1bvm n ASP 21 N 0.43 -1.72 -2.12 -1.43 2.03 0.53 -4.85 116.55 109.42 1bvm n ASP 21 Ca 0.15 0.50 -0.16 0.00 0.52 0.00 0.00 54.79 55.80 1bvm n ASP 21 Cb 0.57 1.76 -0.12 0.00 -0.72 0.00 0.00 41.12 42.60 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 -3.15 0.51 -4.16 -0.67 3.72 0.67 -4.85 117.46 109.54 1bvm n PHE 22 Ca 0.00 -1.62 -0.34 0.00 -0.05 0.00 0.00 57.45 55.44 1bvm n PHE 22 Cb 0.00 -1.47 -0.14 0.00 -0.94 0.00 0.00 39.48 36.93 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 1.47 4.06 -1.15 4.37 3.84 -1.18 -4.66 114.94 121.68 1bvm s ASN 23 Ca 0.60 -0.41 -0.16 0.00 0.21 0.00 0.00 52.86 53.11 1bvm s ASN 23 Cb 0.32 -1.67 -0.02 0.00 -0.55 0.00 0.00 41.25 39.34 1bvm s ASN 23 CO -0.07 0.03 0.78 -3.20 -2.79 0.00 0.00 177.10 171.86 1bvm n ASN 24 N 4.44 -4.87 -4.42 -4.21 2.85 -1.24 -4.53 115.26 103.28 1bvm n ASN 24 Ca -0.19 -0.96 -0.21 0.00 -0.11 0.00 0.00 54.58 53.11 1bvm n ASN 24 Cb 0.51 -3.69 -0.10 0.00 1.24 0.00 0.00 39.78 37.74 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 -3.50 1.99 0.00 1.20 6.14 -1.01 0.26 117.35 122.43 1bvm s TYR 25 Ca 0.41 -0.55 0.00 0.00 0.64 0.00 0.00 57.07 57.56 1bvm s TYR 25 Cb -0.13 -1.01 0.00 0.00 0.42 0.00 0.00 41.96 41.24 1bvm s TYR 25 CO 0.84 0.44 0.00 0.41 0.64 0.00 0.00 175.55 177.88 1bvm n GLY 26 N -0.54 0.10 0.39 8.97 0.00 -1.20 -2.88 105.19 110.02 1bvm n GLY 26 Ca -0.06 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.32 0.00 -1.87 0.00 4.01 -1.26 -2.25 117.16 115.47 1bvm n TYR 28 Ca 0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 1bvm n TYR 28 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 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 5.69 0.69 3.66 0.00 0.00 -1.26 -2.41 105.19 111.56 1bvm n GLY 30 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.26 -0.09 0.99 4.77 -0.38 -4.88 117.00 114.15 1bvm n LEU 31 Ca 0.00 -0.74 0.02 0.00 -0.03 0.00 0.00 56.01 55.26 1bvm n LEU 31 Cb 0.00 -2.79 0.03 0.00 -2.33 0.00 0.00 43.42 38.33 1bvm n LEU 31 CO 0.00 0.43 0.41 0.61 -1.33 0.00 0.00 177.39 177.52 1bvm n GLY 32 N -1.53 1.44 0.00 -0.72 0.00 -1.26 -5.07 105.19 98.05 1bvm n GLY 32 Ca -0.22 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.49 5.75 0.00 -0.02 0.00 -0.95 -5.01 105.19 104.47 1bvm n GLY 33 Ca 0.03 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.04 -4.86 113.62 112.22 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 0.00 -1.95 3.51 0.46 0.00 -1.26 -5.05 105.19 100.89 1bvm n GLY 35 Ca 0.00 -1.18 -0.50 0.00 0.00 0.00 0.00 46.02 44.34 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 2.49 1.28 -0.75 2.61 -1.04 -1.25 -4.82 114.28 112.79 1bvm n THR 36 Ca 0.00 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.05 61.61 1bvm n THR 36 Cb 0.00 -0.45 0.06 0.00 -1.82 0.00 0.00 70.33 68.12 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 1.30 -1.35 -0.01 -2.82 -0.04 -1.26 -4.69 135.00 126.13 1bvm n PRO 37 Ca 0.16 -0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 63.13 1bvm n PRO 37 Cb 0.23 -0.42 -0.01 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.01 0.07 -4.33 0.52 0.24 -1.26 -4.93 118.33 105.63 1bvm n VAL 38 Ca 0.04 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 1bvm n VAL 38 Cb 0.16 -0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 31.69 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 -4.32 1.32 0.44 -1.34 2.15 -1.26 -5.00 116.67 108.67 1bvm s ASP 39 Ca -0.02 -1.40 0.19 0.00 0.43 0.00 0.00 52.55 51.75 1bvm s ASP 39 Cb 0.00 0.17 1.14 0.00 -0.30 0.00 0.00 42.92 43.93 1bvm s ASP 39 CO 0.03 -0.74 1.90 0.44 -0.17 0.00 0.00 175.17 176.63 1bvm h ASP 40 N 2.34 0.32 -0.19 -0.34 3.32 -1.99 -0.53 116.42 119.36 1bvm h ASP 40 Ca -0.38 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1bvm h ASP 40 Cb 1.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1bvm h ASP 40 CO 0.61 0.15 0.04 0.25 -1.72 0.00 0.00 179.24 178.57 1bvm h LEU 41 N 0.33 0.30 -1.09 1.55 5.85 -1.92 -2.57 115.31 117.75 1bvm h LEU 41 Ca 0.40 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1bvm h LEU 41 Cb 1.06 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 1bvm h LEU 41 CO -0.12 0.46 0.61 -0.78 -0.34 0.00 0.00 178.44 178.28 1bvm h ASP 42 N 0.12 0.89 -0.82 1.25 1.82 -1.49 0.14 116.42 118.33 1bvm h ASP 42 Ca 0.06 0.03 0.10 0.00 -0.39 0.00 0.00 57.03 56.83 1bvm h ASP 42 Cb 0.29 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 40.09 1bvm h ASP 42 CO 0.00 0.51 0.54 0.03 -1.61 0.00 0.00 179.24 178.71 1bvm h ARG 43 N 0.98 0.74 -0.64 0.28 2.47 -1.03 -0.75 114.38 116.44 1bvm h ARG 43 Ca 0.45 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.11 1bvm h ARG 43 Cb 0.41 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 1bvm h ARG 43 CO -0.21 0.49 0.34 0.00 0.56 0.00 0.00 179.97 181.15 1bvm h GLN 46 N 0.23 1.10 -0.35 0.00 4.15 -1.09 -0.81 115.11 118.34 1bvm h GLN 46 Ca 0.08 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1bvm h GLN 46 Cb 0.13 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1bvm h GLN 46 CO -0.01 0.72 0.12 1.15 -1.93 0.00 0.00 178.83 178.88 1bvm h THR 47 N 1.13 1.15 -0.09 2.39 2.02 -0.70 -1.61 112.91 117.19 1bvm h THR 47 Ca 0.41 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1bvm h THR 47 Cb 0.15 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1bvm h THR 47 CO -0.15 0.19 0.05 -0.74 0.37 0.00 0.00 175.52 175.23 1bvm h HIS 48 N 0.50 0.13 -0.63 3.16 -0.00 -0.61 0.12 115.15 117.82 1bvm h HIS 48 Ca 0.12 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1bvm h HIS 48 Cb 0.14 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1bvm h HIS 48 CO 0.01 0.15 0.38 -0.44 -0.00 0.00 0.00 177.93 178.03 1bvm h ASP 49 N 0.06 0.77 -0.67 3.26 5.19 -1.31 -2.01 116.42 121.71 1bvm h ASP 49 Ca 0.03 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 1bvm h ASP 49 Cb 0.07 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1bvm h ASP 49 CO -0.01 0.61 0.33 0.78 -3.12 0.00 0.00 179.24 177.83 1bvm h ASN 50 N 0.86 0.89 -0.46 6.45 2.35 -0.91 -2.42 115.58 122.34 1bvm h ASN 50 Ca 0.23 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1bvm h ASN 50 Cb -0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1bvm h ASN 50 CO -0.04 0.76 -0.03 0.00 -1.65 0.00 0.00 177.43 176.47 1bvm h TYR 52 N 0.82 0.00 0.04 0.00 -1.99 -0.90 -0.57 116.97 114.37 1bvm h TYR 52 Ca 0.15 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 1bvm h TYR 52 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1bvm h TYR 52 CO 0.03 0.16 -0.02 0.87 -0.00 0.00 0.00 178.16 179.20 1bvm h LYS 53 N 0.00 -0.05 -0.66 4.88 1.79 -1.14 -2.72 116.57 118.67 1bvm h LYS 53 Ca -0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1bvm h LYS 53 Cb 0.43 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1bvm h LYS 53 CO 0.02 0.62 0.44 1.96 -1.08 0.00 0.00 179.45 181.41 1bvm h GLN 54 N -0.89 0.69 -0.34 3.15 4.20 -1.28 -1.48 115.11 119.17 1bvm h GLN 54 Ca -0.00 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1bvm h GLN 54 Cb 0.69 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1bvm h GLN 54 CO 0.01 0.46 -0.28 0.00 -0.67 0.00 0.00 178.83 178.35 1bvm h ALA 55 N 1.63 0.88 -0.39 3.87 0.00 -1.15 -2.90 119.26 121.20 1bvm h ALA 55 Ca 0.28 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1bvm h ALA 55 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bvm h ALA 55 CO -0.08 0.63 -0.32 0.87 0.00 0.00 0.00 179.25 180.34 1bvm h LYS 56 N 0.60 0.88 -0.16 0.00 1.57 -0.96 -2.93 116.57 115.57 1bvm h LYS 56 Ca 0.07 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1bvm h LYS 56 Cb 0.78 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1bvm h LYS 56 CO 0.06 1.07 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.79 1bvm h LYS 57 N 0.74 0.23 -6.11 3.15 3.64 -1.26 -3.23 116.57 113.74 1bvm h LYS 57 Ca 0.08 -0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.76 1bvm h LYS 57 Cb 0.89 -0.04 0.11 0.00 -0.41 0.00 0.00 32.23 32.78 1bvm h LYS 57 CO 0.08 0.27 -0.36 1.28 -2.27 0.00 0.00 179.45 178.45 1bvm n LEU 58 N -4.39 -0.52 -0.16 5.20 4.32 -1.11 -4.35 117.00 116.00 1bvm n LEU 58 Ca -0.01 1.14 -0.10 0.00 -0.02 0.00 0.00 56.01 57.03 1bvm n LEU 58 Cb 0.18 -1.03 -0.05 0.00 -1.62 0.00 0.00 43.42 40.90 1bvm n LEU 58 CO 0.36 -2.59 0.57 -0.78 -1.22 0.00 0.00 177.39 173.73 1bvm h ASP 59 N 1.31 -1.49 -1.23 -1.43 3.58 -1.90 0.42 116.42 115.69 1bvm h ASP 59 Ca -0.31 0.23 0.41 0.00 0.42 0.00 0.00 57.03 57.78 1bvm h ASP 59 Cb 1.42 0.66 -0.14 0.00 1.72 0.00 0.00 39.33 42.99 1bvm h ASP 59 CO 0.58 -0.36 0.77 0.28 -2.88 0.00 0.00 179.24 177.63 1bvm h SER 60 N -0.29 0.30 0.21 2.28 0.02 -1.92 0.42 113.55 114.57 1bvm h SER 60 Ca 0.15 0.16 -0.29 0.00 -0.84 0.00 0.00 61.79 60.97 1bvm h SER 60 Cb 0.58 0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.29 1bvm h SER 60 CO -0.62 -0.20 -1.29 0.00 -1.14 0.00 0.00 176.83 173.58 1bvm h LYS 62 N -0.03 0.00 0.00 0.00 3.64 0.18 0.94 116.57 121.30 1bvm h LYS 62 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1bvm h LYS 62 Cb 2.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1bvm h LYS 62 CO 0.23 0.00 -0.45 0.28 -2.27 0.00 0.00 179.45 177.23 1bvm n VAL 63 N -3.17 0.80 0.29 2.00 0.31 -0.61 -4.39 118.33 113.56 1bvm n VAL 63 Ca -0.02 0.32 0.11 0.00 -0.01 0.00 0.00 64.34 64.74 1bvm n VAL 63 Cb 0.23 -1.97 0.50 0.00 -0.91 0.00 0.00 33.84 31.69 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 -3.55 0.57 -1.88 7.52 4.77 -0.92 -4.79 117.00 118.72 1bvm n LEU 64 Ca -0.06 0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 1bvm n LEU 64 Cb 0.24 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1bvm n LEU 64 CO 0.10 -0.69 -0.08 0.52 -1.33 0.00 0.00 177.39 175.91 1bvm n VAL 65 N -2.18 -0.17 -0.54 4.08 0.31 0.32 -4.86 118.33 115.30 1bvm n VAL 65 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 1bvm n VAL 65 Cb 0.14 -0.83 0.23 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.79 -2.19 -4.27 4.52 2.03 -1.26 -5.01 116.55 109.58 1bvm n ASP 66 Ca -0.08 -0.20 -0.30 0.00 0.52 0.00 0.00 54.79 54.73 1bvm n ASP 66 Cb 0.41 -1.10 -0.16 0.00 -0.72 0.00 0.00 41.12 39.54 1bvm n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bvm s ASN 67 N -2.15 2.86 0.14 1.67 2.20 -1.26 -5.02 114.94 113.38 1bvm s ASN 67 Ca 0.63 -0.45 -0.06 0.00 -0.94 0.00 0.00 52.86 52.04 1bvm s ASN 67 Cb -0.19 -0.45 -0.05 0.00 -2.00 0.00 0.00 41.25 38.56 1bvm s ASN 67 CO 0.65 0.28 1.36 1.55 -2.94 0.00 0.00 177.10 178.00 1bvm h PRO 68 N 5.70 0.54 0.00 3.55 0.13 -1.95 -2.66 132.00 137.31 1bvm h PRO 68 Ca -0.39 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1bvm h PRO 68 Cb 1.14 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bvm h PRO 68 CO 0.47 1.10 0.00 0.66 -0.23 0.00 0.00 178.00 180.00 1bvm n TYR 69 N -3.85 0.00 0.09 1.56 4.02 -1.26 -2.19 117.16 115.53 1bvm n TYR 69 Ca -0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.89 1bvm n TYR 69 Cb 0.75 -0.18 0.33 0.00 -0.02 0.00 0.00 39.34 40.22 1bvm n TYR 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1bvm n THR 70 N -1.17 1.46 -1.46 -0.72 -2.24 -1.26 -4.05 114.28 104.84 1bvm n THR 70 Ca 0.00 0.63 -0.52 0.00 -2.27 0.00 0.00 64.05 61.89 1bvm n THR 70 Cb 0.00 -1.63 -0.05 0.00 -2.10 0.00 0.00 70.33 66.55 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 -1.92 -0.39 -3.34 3.42 2.85 -0.93 -4.83 115.26 110.11 1bvm n ASN 71 Ca -0.01 1.14 -0.26 0.00 -0.11 0.00 0.00 54.58 55.34 1bvm n ASN 71 Cb 0.02 -0.99 -0.07 0.00 1.24 0.00 0.00 39.78 39.98 1bvm n ASN 71 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1bvm n ASN 72 N 1.80 3.36 -4.81 1.20 4.13 -1.26 -4.97 115.26 114.71 1bvm n ASN 72 Ca 0.18 -3.37 -0.33 0.00 1.68 0.00 0.00 54.58 52.73 1bvm n ASN 72 Cb 0.19 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.74 1bvm n ASN 72 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1bvm s TYR 73 N -2.42 3.13 0.04 3.10 -0.85 -1.26 -5.03 117.35 114.05 1bvm s TYR 73 Ca 0.40 1.56 -0.15 0.00 -0.52 0.00 0.00 57.07 58.36 1bvm s TYR 73 Cb 0.17 -2.97 -0.06 0.00 0.38 0.00 0.00 41.96 39.48 1bvm s TYR 73 CO -0.04 -0.67 0.45 -1.12 -1.52 0.00 0.00 175.55 172.66 1bvm s SER 74 N -2.34 6.84 0.30 -0.18 0.01 -1.26 -5.04 113.70 112.03 1bvm s SER 74 Ca 0.64 1.01 -0.17 0.00 1.31 0.00 0.00 55.95 58.74 1bvm s SER 74 Cb -0.14 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.85 1bvm s SER 74 CO 0.23 0.28 0.68 -0.72 0.41 0.00 0.00 173.24 174.12 1bvm s TYR 75 N -1.16 0.04 0.32 2.43 1.13 -1.26 -1.59 117.35 117.27 1bvm s TYR 75 Ca 0.27 -0.52 0.03 0.00 -1.41 0.00 0.00 57.07 55.43 1bvm s TYR 75 Cb -0.17 0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1bvm s TYR 75 CO 0.15 -1.27 0.36 0.43 -2.51 0.00 0.00 175.55 172.72 1bvm n SER 76 N -0.71 -0.98 -4.13 -0.18 7.64 0.76 -4.93 113.62 111.09 1bvm n SER 76 Ca -0.04 -2.91 -0.10 0.00 1.01 0.00 0.00 58.87 56.83 1bvm n SER 76 Cb 0.60 1.99 -0.10 0.00 -1.01 0.00 0.00 64.21 65.69 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 -0.10 0.00 -4.26 0.00 2.88 -0.74 -4.89 113.62 106.50 1bvm n SER 78 Ca -0.06 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.13 1bvm n SER 78 Cb 0.64 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.32 -4.33 -3.46 4.13 -1.26 0.14 115.26 110.16 1bvm n ASN 79 Ca 0.00 -1.28 -0.38 0.00 1.68 0.00 0.00 54.58 54.60 1bvm n ASN 79 Cb 0.00 -1.63 -0.05 0.00 -1.54 0.00 0.00 39.78 36.57 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bvm n ASN 80 N -2.71 -2.53 -4.17 6.41 5.03 -1.26 -4.91 115.26 111.13 1bvm n ASN 80 Ca -0.28 -1.10 -0.11 0.00 0.87 0.00 0.00 54.58 53.96 1bvm n ASN 80 Cb 0.67 -2.33 -0.10 0.00 -1.02 0.00 0.00 39.78 36.99 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 -7.04 0.83 -0.09 3.52 2.02 0.38 -4.59 118.70 113.72 1bvm s GLU 81 Ca 0.72 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 1bvm s GLU 81 Cb -0.40 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.57 1bvm s GLU 81 CO 0.96 -0.01 -0.02 0.42 0.02 0.00 0.00 175.26 176.63 1bvm s ILE 82 N -3.50 4.11 -0.30 -1.63 1.01 -1.26 -1.80 121.20 117.83 1bvm s ILE 82 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1bvm s ILE 82 Cb 0.04 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1bvm s ILE 82 CO -0.04 0.59 0.01 -0.89 0.00 0.00 0.00 174.94 174.61 1bvm s THR 83 N -0.71 3.16 -0.20 2.92 2.01 0.29 -4.92 115.64 118.19 1bvm s THR 83 Ca 0.11 -1.23 -0.07 0.00 0.31 0.00 0.00 61.69 60.81 1bvm s THR 83 Cb -0.12 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1bvm s THR 83 CO 0.02 -0.05 0.06 0.00 -0.69 0.00 0.00 174.62 173.96 1bvm s SER 85 N 0.84 6.38 0.35 0.00 0.15 -0.62 -4.87 113.70 115.94 1bvm s SER 85 Ca 0.03 2.92 0.27 0.00 0.70 0.00 0.00 55.95 59.87 1bvm s SER 85 Cb -0.14 -2.63 0.99 0.00 -1.71 0.00 0.00 66.02 62.53 1bvm s SER 85 CO 0.02 -0.92 1.79 0.77 1.20 0.00 0.00 173.24 176.11 1bvm h SER 86 N 5.20 0.00 -0.29 5.45 4.64 -1.97 -3.02 113.55 123.56 1bvm h SER 86 Ca -0.46 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.94 1bvm h SER 86 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1bvm h SER 86 CO 0.82 0.00 0.26 -0.33 -0.87 0.00 0.00 176.83 176.71 1bvm h GLU 87 N 0.00 0.00 -6.02 4.77 4.39 -1.96 -3.42 114.58 112.33 1bvm h GLU 87 Ca 0.00 0.00 -0.84 0.00 0.34 0.00 0.00 59.36 58.86 1bvm h GLU 87 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1bvm h GLU 87 CO 0.00 0.00 0.82 0.09 -1.16 0.00 0.00 179.01 178.76 1bvm n ASN 88 N -4.04 1.35 -3.03 1.42 4.13 -1.14 -4.88 115.26 109.06 1bvm n ASN 88 Ca 0.04 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.39 1bvm n ASN 88 Cb 0.42 -0.93 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1bvm n ASN 88 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bvm n ASN 89 N 4.81 -1.21 0.38 6.41 4.13 -1.26 -3.70 115.26 124.82 1bvm n ASN 89 Ca 0.34 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.42 1bvm n ASN 89 Cb -0.02 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.13 1bvm n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bvm h ALA 90 N -1.71 -0.97 -0.29 5.41 0.00 -1.96 0.21 119.26 119.94 1bvm h ALA 90 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1bvm h ALA 90 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bvm h ALA 90 CO 0.00 -1.05 -0.53 0.00 0.00 0.00 0.00 179.25 177.67 1bvm h GLU 92 N 0.66 1.16 -0.70 0.00 5.08 -1.83 -1.97 114.58 116.99 1bvm h GLU 92 Ca 0.02 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1bvm h GLU 92 Cb 1.13 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1bvm h GLU 92 CO 0.12 0.80 0.15 0.00 -1.00 0.00 0.00 179.01 179.07 1bvm h ALA 93 N 1.41 0.95 -0.47 3.43 0.00 -0.49 -2.36 119.26 121.73 1bvm h ALA 93 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bvm h ALA 93 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1bvm h ALA 93 CO -0.06 0.67 0.25 0.35 0.00 0.00 0.00 179.25 180.46 1bvm h PHE 94 N 1.06 0.62 -0.25 0.00 3.04 -1.14 -2.46 116.94 117.81 1bvm h PHE 94 Ca 0.22 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1bvm h PHE 94 Cb 0.39 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1bvm h PHE 94 CO 0.03 0.44 0.08 0.82 -2.02 0.00 0.00 178.31 177.65 1bvm h ILE 95 N 0.65 1.20 -0.27 1.41 1.08 -0.93 -2.13 117.51 118.52 1bvm h ILE 95 Ca 0.17 -0.63 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1bvm h ILE 95 Cb 0.02 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1bvm h ILE 95 CO -0.03 0.20 0.21 0.00 -0.69 0.00 0.00 178.15 177.85 1bvm h ASN 97 N 0.00 0.27 -0.07 0.00 2.35 -1.16 -1.09 115.58 115.88 1bvm h ASN 97 Ca 0.13 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1bvm h ASN 97 Cb 0.55 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1bvm h ASN 97 CO -0.00 1.00 -0.07 0.00 -1.65 0.00 0.00 177.43 176.70 1bvm h ASP 99 N -0.24 0.44 0.43 0.00 5.19 -1.44 -2.00 116.42 118.80 1bvm h ASP 99 Ca 0.01 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.16 1bvm h ASP 99 Cb 0.57 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1bvm h ASP 99 CO 0.02 0.91 -0.21 -0.09 -3.12 0.00 0.00 179.24 176.75 1bvm h ARG 100 N 0.31 -0.56 -0.08 3.56 9.65 -1.19 -1.76 114.38 124.31 1bvm h ARG 100 Ca 0.00 0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1bvm h ARG 100 Cb 1.07 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1bvm h ARG 100 CO 0.10 -0.37 0.21 -0.91 2.80 0.00 0.00 179.97 181.79 1bvm h ASN 101 N -0.77 0.00 0.14 -3.80 2.35 -1.34 -1.05 115.58 111.11 1bvm h ASN 101 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1bvm h ASN 101 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1bvm h ASN 101 CO 0.10 0.00 -0.07 0.00 -1.65 0.00 0.00 177.43 175.81 1bvm h ALA 102 N 1.66 -0.19 -0.45 -0.83 0.00 -1.16 -2.13 119.26 116.16 1bvm h ALA 102 Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1bvm h ALA 102 Cb 0.46 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1bvm h ALA 102 CO -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 1bvm h ALA 103 N -0.34 1.15 -0.16 0.00 0.00 -0.73 -2.41 119.26 116.77 1bvm h ALA 103 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1bvm h ALA 103 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bvm h ALA 103 CO 0.03 0.55 -0.24 0.82 0.00 0.00 0.00 179.25 180.41 1bvm h ILE 104 N 0.69 1.24 -0.22 0.00 2.04 -1.29 -2.94 117.51 117.04 1bvm h ILE 104 Ca 0.14 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1bvm h ILE 104 Cb 0.43 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1bvm h ILE 104 CO 0.02 0.35 0.06 0.00 0.00 0.00 0.00 178.15 178.57 1bvm h PHE 106 N 0.18 1.08 -0.00 0.00 0.04 -1.34 0.35 116.94 117.24 1bvm h PHE 106 Ca 0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1bvm h PHE 106 Cb 0.27 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1bvm h PHE 106 CO 0.01 0.43 -0.05 -1.13 -0.60 0.00 0.00 178.31 176.97 1bvm n SER 107 N -4.60 0.23 -0.33 2.17 3.41 -1.01 -3.23 113.62 110.26 1bvm n SER 107 Ca 0.18 -0.43 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1bvm n SER 107 Cb 0.37 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.10 0.80 -4.30 4.33 4.76 0.12 -4.96 118.16 117.80 1bvm n LYS 108 Ca 0.15 -0.66 -0.16 0.00 -2.87 0.00 0.00 58.31 54.77 1bvm n LYS 108 Cb 0.25 -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 -2.66 0.94 1.11 -0.18 -7.23 -0.86 -5.06 120.40 106.46 1bvm s VAL 109 Ca 0.15 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 58.13 1bvm s VAL 109 Cb 0.17 -2.26 0.24 0.00 0.56 0.00 0.00 36.38 35.09 1bvm s VAL 109 CO 0.67 -0.38 1.14 -2.16 -0.31 0.00 0.00 175.10 174.07 1bvm s PRO 110 N -3.87 -0.47 -0.26 4.82 0.04 -1.26 -4.90 135.00 129.10 1bvm s PRO 110 Ca 0.27 0.01 -0.03 0.00 0.04 0.00 0.00 61.00 61.29 1bvm s PRO 110 Cb 0.06 -1.68 0.09 0.00 0.04 0.00 0.00 34.50 33.00 1bvm s PRO 110 CO 0.07 -3.23 0.09 -0.47 0.04 0.00 0.00 177.00 173.51 1bvm s TYR 111 N -3.16 0.91 -0.58 0.56 5.04 -1.26 -4.43 117.35 114.43 1bvm s TYR 111 Ca 0.70 -1.07 -0.27 0.00 -2.44 0.00 0.00 57.07 53.99 1bvm s TYR 111 Cb -0.11 -1.15 0.03 0.00 0.35 0.00 0.00 41.96 41.08 1bvm s TYR 111 CO 0.56 -0.75 1.10 -0.80 -1.34 0.00 0.00 175.55 174.32 1bvm s ASN 112 N 1.90 6.39 0.49 4.32 0.01 -1.26 -4.88 114.94 121.92 1bvm s ASN 112 Ca 0.06 -0.09 0.14 0.00 -0.71 0.00 0.00 52.86 52.26 1bvm s ASN 112 Cb -0.17 -2.51 1.17 0.00 0.41 0.00 0.00 41.25 40.16 1bvm s ASN 112 CO -0.23 -1.40 2.12 0.50 -1.51 0.00 0.00 177.10 176.58 1bvm h LYS 113 N 9.48 0.11 0.00 -0.60 3.64 -1.99 -0.95 116.57 126.26 1bvm h LYS 113 Ca -0.26 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1bvm h LYS 113 Cb 1.06 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1bvm h LYS 113 CO 1.15 0.08 -0.09 1.05 -2.27 0.00 0.00 179.45 179.37 1bvm h GLU 114 N 0.11 0.00 -0.00 1.90 4.11 -2.03 -0.60 114.58 118.06 1bvm h GLU 114 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1bvm h GLU 114 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bvm h GLU 114 CO -0.01 0.09 -0.01 0.72 0.07 0.00 0.00 179.01 179.88 1bvm n HIS 115 N -3.78 0.00 -2.29 2.06 8.25 -0.36 -4.87 115.22 114.23 1bvm n HIS 115 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1bvm n HIS 115 Cb 0.20 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.05 3.46 -1.27 -0.41 2.36 -0.24 -3.21 119.74 118.39 1bvm s LYS 116 Ca 0.44 1.47 -0.23 0.00 -2.55 0.00 0.00 55.97 55.09 1bvm s LYS 116 Cb 0.22 -2.03 0.02 0.00 -1.05 0.00 0.00 37.83 34.98 1bvm s LYS 116 CO 0.37 -0.73 0.58 0.09 1.55 0.00 0.00 175.35 177.21 1bvm n ASN 117 N -1.35 -3.25 -4.94 1.43 3.02 0.14 -4.90 115.26 105.40 1bvm n ASN 117 Ca 0.10 -1.20 -0.24 0.00 -0.03 0.00 0.00 54.58 53.22 1bvm n ASN 117 Cb 0.52 -2.22 0.06 0.00 -0.61 0.00 0.00 39.78 37.52 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 3.02 -0.10 3.41 2.96 -1.25 -5.05 118.68 114.51 1bvm s LEU 118 Ca 0.36 0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 54.37 1bvm s LEU 118 Cb -0.18 -2.97 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 1bvm s LEU 118 CO 0.94 -1.41 0.31 -0.62 -1.32 0.00 0.00 176.35 174.26 1bvm s ASP 119 N -4.48 6.56 0.58 3.68 2.15 -1.26 -4.94 116.67 118.96 1bvm s ASP 119 Ca 0.59 0.67 0.29 0.00 0.43 0.00 0.00 52.55 54.52 1bvm s ASP 119 Cb -0.10 -2.19 1.56 0.00 -0.30 0.00 0.00 42.92 41.89 1bvm s ASP 119 CO 0.42 0.23 1.86 0.11 -0.17 0.00 0.00 175.17 177.62 1bvm h LYS 120 N 5.72 0.00 0.00 4.34 1.57 -1.96 0.74 116.57 126.98 1bvm h LYS 120 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1bvm h LYS 120 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 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 -2.72 0.09 0.00 3.15 4.01 -1.26 0.33 118.16 121.76 1bvm n LYS 121 Ca -0.02 0.52 0.11 0.00 -0.51 0.00 0.00 58.31 58.41 1bvm n LYS 121 Cb 0.29 -1.74 0.08 0.00 -0.51 0.00 0.00 35.03 33.15 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1bvm n ASN 122 N -1.92 0.71 -0.86 4.39 3.02 0.25 -5.23 115.26 115.62 1bvm n ASN 122 Ca 0.00 -0.54 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 1bvm n ASN 122 Cb 0.07 0.61 0.19 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