#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nvm h LYS 3 N 0.00 0.11 -0.50 -0.67 3.64 -2.02 -2.82 116.57 114.30 2nvm h LYS 3 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2nvm h LYS 3 Cb 0.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2nvm h LYS 3 CO 0.00 0.50 0.32 -0.07 -2.27 0.00 0.00 179.45 177.93 2nvm h LEU 4 N -0.29 0.58 -0.08 5.20 3.38 -1.98 -1.24 115.31 120.88 2nvm h LEU 4 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2nvm h LEU 4 Cb 0.47 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2nvm h LEU 4 CO 0.01 0.43 0.04 0.74 0.09 0.00 0.00 178.44 179.76 2nvm h THR 5 N 0.68 1.09 -0.21 0.22 2.02 -1.98 -0.79 112.91 113.94 2nvm h THR 5 Ca 0.18 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2nvm h THR 5 Cb -0.06 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2nvm h THR 5 CO -0.04 0.08 0.14 -0.74 0.37 0.00 0.00 175.52 175.33 2nvm h HIS 6 N 0.04 0.26 -0.66 3.16 -0.00 -1.23 -1.28 115.15 115.43 2nvm h HIS 6 Ca 0.03 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 2nvm h HIS 6 Cb 0.08 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.36 2nvm h HIS 6 CO -0.04 0.17 0.40 1.88 -0.00 0.00 0.00 177.93 180.33 2nvm h TYR 7 N 0.28 0.75 0.04 5.26 -1.99 -1.15 -0.35 116.97 119.81 2nvm h TYR 7 Ca 0.08 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 2nvm h TYR 7 Cb -0.03 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.46 2nvm h TYR 7 CO -0.06 0.41 -0.02 0.00 -0.00 0.00 0.00 178.16 178.49 2nvm h ARG 8 N 0.78 -0.05 -0.58 4.88 3.08 -0.92 -1.98 114.38 119.58 2nvm h ARG 8 Ca 0.27 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.36 2nvm h ARG 8 Cb 0.06 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2nvm h ARG 8 CO -0.12 0.05 0.34 1.25 -1.07 0.00 0.00 179.97 180.42 2nvm h HIS 9 N -0.14 0.64 -0.09 3.04 2.76 -0.94 -2.32 115.15 118.10 2nvm h HIS 9 Ca -0.01 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2nvm h HIS 9 Cb 0.13 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 2nvm h HIS 9 CO -0.05 0.35 0.05 1.15 -1.30 0.00 0.00 177.93 178.13 2nvm h THR 10 N 0.67 1.10 -0.32 6.26 2.02 -0.99 -1.92 112.91 119.73 2nvm h THR 10 Ca 0.24 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2nvm h THR 10 Cb 0.06 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2nvm h THR 10 CO -0.12 0.08 0.08 0.40 0.37 0.00 0.00 175.52 176.34 2nvm h ILE 11 N 0.04 0.87 -0.56 3.11 1.08 -1.27 -0.40 117.51 120.38 2nvm h ILE 11 Ca 0.03 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2nvm h ILE 11 Cb 0.09 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 2nvm h ILE 11 CO -0.00 0.04 0.28 1.56 -0.69 0.00 0.00 178.15 179.33 2nvm h GLN 12 N 0.20 0.79 -0.61 2.37 4.20 -1.30 0.13 115.11 120.90 2nvm h GLN 12 Ca 0.15 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2nvm h GLN 12 Cb 0.14 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2nvm h GLN 12 CO -0.18 0.64 0.14 0.93 -0.67 0.00 0.00 178.83 179.69 2nvm h GLU 13 N 0.75 0.98 0.04 1.46 4.39 -1.17 -0.76 114.58 120.26 2nvm h GLU 13 Ca 0.19 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2nvm h GLU 13 Cb 0.10 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2nvm h GLU 13 CO -0.03 0.90 -0.02 0.82 -1.16 0.00 0.00 179.01 179.52 2nvm h ILE 14 N 0.89 1.19 -0.60 3.13 2.04 -0.78 -1.41 117.51 121.96 2nvm h ILE 14 Ca 0.19 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2nvm h ILE 14 Cb 0.37 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2nvm h ILE 14 CO 0.00 0.19 0.32 -0.29 0.00 0.00 0.00 178.15 178.37 2nvm h ILE 15 N -0.39 1.20 -0.85 -0.67 2.10 -0.74 -1.99 117.51 116.19 2nvm h ILE 15 Ca -0.01 -0.54 0.01 0.00 1.08 0.00 0.00 64.86 65.40 2nvm h ILE 15 Cb 0.35 0.45 -0.04 0.00 -1.09 0.00 0.00 36.82 36.49 2nvm h ILE 15 CO 0.01 0.23 0.55 0.11 -1.08 0.00 0.00 178.15 177.97 2nvm h LYS 16 N 0.82 1.12 0.29 2.19 1.57 -1.15 -1.20 116.57 120.21 2nvm h LYS 16 Ca 0.21 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2nvm h LYS 16 Cb 0.07 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2nvm h LYS 16 CO -0.03 0.75 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.24 2nvm h LYS 17 N 1.15 -0.37 -0.47 3.15 3.64 -0.53 -1.30 116.57 121.84 2nvm h LYS 17 Ca 0.31 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2nvm h LYS 17 Cb -0.12 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2nvm h LYS 17 CO -0.07 -0.23 -0.17 1.88 -2.27 0.00 0.00 179.45 178.60 2nvm h TYR 18 N -0.41 1.05 -0.16 1.91 0.05 -1.33 -1.63 116.97 116.45 2nvm h TYR 18 Ca -0.04 -0.23 0.02 0.00 0.05 0.00 0.00 58.73 58.53 2nvm h TYR 18 Cb 0.31 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2nvm h TYR 18 CO -0.05 1.02 0.02 -0.92 -1.05 0.00 0.00 178.16 177.18 2nvm h TYR 19 N 0.81 0.04 -0.32 4.88 3.20 -1.18 -2.26 116.97 122.14 2nvm h TYR 19 Ca 0.12 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2nvm h TYR 19 Cb 0.72 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2nvm h TYR 19 CO 0.04 0.01 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.03 2nvm h ASP 20 N 0.09 0.52 0.01 -2.11 3.32 -1.18 -3.00 116.42 114.07 2nvm h ASP 20 Ca 0.07 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 2nvm h ASP 20 Cb 0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2nvm h ASP 20 CO -0.10 0.66 -0.30 0.25 -1.72 0.00 0.00 179.24 178.02 2nvm h LEU 21 N 0.50 0.44 -0.48 1.55 6.46 -1.06 0.14 115.31 122.86 2nvm h LEU 21 Ca 0.09 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 2nvm h LEU 21 Cb 0.47 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2nvm h LEU 21 CO 0.03 0.72 -0.03 -1.28 -0.62 0.00 0.00 178.44 177.26 2nvm h SER 22 N 0.38 0.86 -0.11 1.25 0.87 -1.28 -3.34 113.55 112.18 2nvm h SER 22 Ca 0.05 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 2nvm h SER 22 Cb 0.72 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2nvm h SER 22 CO 0.05 0.98 -0.10 -0.46 -0.53 0.00 0.00 176.83 176.77 2nvm n ASN 23 N -4.31 2.60 0.00 6.23 0.23 -1.16 -5.14 115.26 113.71 2nvm n ASN 23 Ca 0.00 -3.31 0.00 0.00 -0.53 0.00 0.00 54.58 50.74 2nvm n ASN 23 Cb 0.34 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 2nvm n ASN 23 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2nvm n SER 24 N -1.13 0.00 0.00 0.53 7.64 0.47 -5.02 113.62 116.10 2nvm n SER 24 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2nvm n SER 24 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 2nvm n SER 24 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2nvm n LEU 38 N 0.00 0.00 0.00 -3.43 7.94 -1.26 -4.69 117.00 115.56 2nvm n LEU 38 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2nvm n LEU 38 Cb 0.00 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.28 2nvm n LEU 38 CO 0.00 0.00 0.73 -2.65 -1.11 0.00 0.00 177.39 174.36 2nvm n PRO 39 N 0.00 0.07 0.00 1.96 -0.02 -1.26 -3.60 135.00 132.15 2nvm n PRO 39 Ca 0.00 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 2nvm n PRO 39 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 2nvm n PRO 39 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2nvm n ASP 40 N -1.43 1.29 -4.79 2.55 8.00 -1.26 -4.93 116.55 115.98 2nvm n ASP 40 Ca 0.05 -1.15 -0.34 0.00 0.71 0.00 0.00 54.79 54.06 2nvm n ASP 40 Cb 0.16 0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 42.05 2nvm n ASP 40 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2nvm s THR 41 N -2.72 3.67 -0.06 -3.53 -4.23 -1.24 0.00 115.64 107.55 2nvm s THR 41 Ca 0.11 1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 61.36 2nvm s THR 41 Cb 0.16 -3.42 -0.08 0.00 1.34 0.00 0.00 72.50 70.50 2nvm s THR 41 CO 0.73 -0.22 2.05 0.52 -0.54 0.00 0.00 174.62 177.15 2nvm n VAL 42 N -1.02 0.62 -4.21 2.29 0.31 -1.25 -4.59 118.33 110.46 2nvm n VAL 42 Ca 0.10 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 63.99 2nvm n VAL 42 Cb 0.52 -2.34 -0.12 0.00 -0.91 0.00 0.00 33.84 31.00 2nvm n VAL 42 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2nvm s GLY 43 N 5.62 1.00 0.20 2.92 0.00 -0.71 -4.91 107.32 111.44 2nvm s GLY 43 Ca 0.93 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 2nvm s GLY 43 CO 0.41 -1.12 0.79 0.99 0.00 0.00 0.00 173.10 174.17 2nvm s ASP 44 N -1.84 7.31 -0.01 1.64 1.01 -1.26 -1.17 116.67 122.35 2nvm s ASP 44 Ca 0.01 1.62 0.02 0.00 0.71 0.00 0.00 52.55 54.92 2nvm s ASP 44 Cb -0.10 -2.49 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 2nvm s ASP 44 CO 0.03 0.14 -0.07 -0.13 0.21 0.00 0.00 175.17 175.34 2nvm s ARG 45 N -1.45 0.65 -0.14 8.23 1.81 0.30 -4.98 118.95 123.37 2nvm s ARG 45 Ca 0.39 -0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 54.11 2nvm s ARG 45 Cb -0.21 -0.62 -0.03 0.00 -0.45 0.00 0.00 34.95 33.64 2nvm s ARG 45 CO 0.25 0.14 -0.04 -1.17 -0.68 0.00 0.00 175.30 173.80 2nvm s LEU 46 N -0.09 3.24 -0.32 2.53 2.96 -1.26 -1.67 118.68 124.07 2nvm s LEU 46 Ca 0.02 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2nvm s LEU 46 Cb -0.04 -1.77 0.10 0.00 0.50 0.00 0.00 46.19 44.98 2nvm s LEU 46 CO -0.00 0.20 0.10 -0.63 -1.32 0.00 0.00 176.35 174.69 2nvm s ILE 47 N 0.18 1.14 -0.24 6.68 1.01 0.11 -5.01 121.20 125.07 2nvm s ILE 47 Ca -0.02 -1.61 -0.06 0.00 0.00 0.00 0.00 60.65 58.95 2nvm s ILE 47 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2nvm s ILE 47 CO 0.03 -0.67 0.04 -0.63 0.00 0.00 0.00 174.94 173.70 2nvm s ILE 48 N 1.44 4.02 -0.38 2.92 1.01 -1.26 -1.02 121.20 127.92 2nvm s ILE 48 Ca 0.10 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2nvm s ILE 48 Cb -0.18 -2.87 0.11 0.00 0.01 0.00 0.00 42.46 39.53 2nvm s ILE 48 CO -0.21 0.36 0.11 -0.62 0.00 0.00 0.00 174.94 174.58 2nvm s ASP 49 N 1.57 4.56 0.31 3.58 -1.08 0.40 -4.99 116.67 121.03 2nvm s ASP 49 Ca 0.06 -2.32 0.07 0.00 -0.52 0.00 0.00 52.55 49.84 2nvm s ASP 49 Cb -0.15 -1.54 0.50 0.00 -1.46 0.00 0.00 42.92 40.28 2nvm s ASP 49 CO 0.01 -0.35 1.73 -0.33 0.52 0.00 0.00 175.17 176.76 2nvm h GLU 50 N 7.37 0.25 -0.11 4.34 5.08 -1.97 0.36 114.58 129.91 2nvm h GLU 50 Ca -0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2nvm h GLU 50 Cb 0.99 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2nvm h GLU 50 CO 0.55 0.58 0.07 1.96 -1.00 0.00 0.00 179.01 181.17 2nvm h GLN 51 N 0.21 0.14 -0.02 2.33 4.20 -1.96 -3.19 115.11 116.83 2nvm h GLN 51 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2nvm h GLN 51 Cb 0.74 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2nvm h GLN 51 CO 0.06 0.11 -0.13 0.54 -0.67 0.00 0.00 178.83 178.74 2nvm n ARG 52 N -5.00 1.68 -3.62 1.46 1.74 -1.22 -4.99 116.66 106.72 2nvm n ARG 52 Ca -0.05 -1.23 -0.20 0.00 -0.77 0.00 0.00 57.85 55.60 2nvm n ARG 52 Cb 0.04 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 2nvm n ARG 52 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2nvm n ASP 53 N 0.42 -1.63 -4.19 0.55 8.00 0.02 -4.79 116.55 114.93 2nvm n ASP 53 Ca 0.14 -0.77 -0.32 0.00 0.71 0.00 0.00 54.79 54.55 2nvm n ASP 53 Cb 0.46 -4.35 -0.17 0.00 -0.02 0.00 0.00 41.12 37.04 2nvm n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2nvm s GLN 54 N -5.77 3.02 -0.16 -1.24 -1.52 -0.63 -1.79 119.66 111.57 2nvm s GLN 54 Ca 0.03 -0.86 -0.02 0.00 -1.95 0.00 0.00 55.36 52.55 2nvm s GLN 54 Cb -0.01 -2.37 0.05 0.00 -0.22 0.00 0.00 33.01 30.47 2nvm s GLN 54 CO 0.79 0.07 0.02 0.71 -0.25 0.00 0.00 175.29 176.63 2nvm s TYR 55 N 0.60 1.00 -0.01 0.91 2.02 -0.12 -0.45 117.35 121.30 2nvm s TYR 55 Ca -0.12 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 55.86 2nvm s TYR 55 Cb -0.17 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 2nvm s TYR 55 CO 0.03 -0.54 0.03 -1.17 -1.57 0.00 0.00 175.55 172.33 2nvm s LEU 56 N 1.87 1.89 -0.13 -1.29 0.20 -0.19 -0.83 118.68 120.20 2nvm s LEU 56 Ca 0.01 0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.85 2nvm s LEU 56 Cb -0.16 0.12 0.02 0.00 -0.43 0.00 0.00 46.19 45.75 2nvm s LEU 56 CO -0.07 -0.04 -0.12 0.86 -0.29 0.00 0.00 176.35 176.69 2nvm s TRP 57 N -0.12 1.93 0.25 5.38 -0.00 0.41 0.06 118.94 126.86 2nvm s TRP 57 Ca -0.01 -1.05 0.03 0.00 -0.00 0.00 0.00 56.10 55.07 2nvm s TRP 57 Cb -0.01 -1.47 -0.05 0.00 -0.00 0.00 0.00 33.47 31.94 2nvm s TRP 57 CO -0.00 -0.61 0.02 -0.48 -0.00 0.00 0.00 176.95 175.88 2nvm s LEU 58 N 1.53 2.10 0.07 5.86 0.05 -0.67 -0.52 118.68 127.10 2nvm s LEU 58 Ca 0.04 -1.27 0.09 0.00 0.05 0.00 0.00 54.13 53.04 2nvm s LEU 58 Cb -0.13 -0.25 -0.03 0.00 -2.05 0.00 0.00 46.19 43.74 2nvm s LEU 58 CO -0.09 -0.56 -0.23 0.00 -0.55 0.00 0.00 176.35 174.91 2nvm n GLY 61 N 2.98 -0.37 3.08 0.00 0.00 -0.56 -1.74 105.19 108.58 2nvm n GLY 61 Ca -0.14 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 2nvm n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2nvm s TRP 62 N -3.38 1.47 -0.72 1.61 0.52 0.10 -0.59 118.94 117.95 2nvm s TRP 62 Ca 0.00 -0.43 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 2nvm s TRP 62 Cb 0.00 -1.01 0.18 0.00 -1.15 0.00 0.00 33.47 31.49 2nvm s TRP 62 CO 0.00 -0.17 0.56 0.34 0.02 0.00 0.00 176.95 177.70 2nvm s ASP 63 N 0.19 5.53 1.54 2.95 2.15 -0.10 -3.97 116.67 124.95 2nvm s ASP 63 Ca -0.06 -3.12 0.00 0.00 0.43 0.00 0.00 52.55 49.81 2nvm s ASP 63 Cb -0.11 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 2nvm s ASP 63 CO 0.02 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 2nvm n GLY 64 N 3.15 2.90 0.18 2.66 0.00 -1.26 -1.65 105.19 111.16 2nvm n GLY 64 Ca 0.12 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.06 2nvm n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nvm n LYS 65 N 13.08 0.82 -3.17 1.61 2.85 -1.26 -4.88 118.16 127.22 2nvm n LYS 65 Ca 0.00 -0.36 -0.40 0.00 -1.05 0.00 0.00 58.31 56.50 2nvm n LYS 65 Cb 0.00 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 32.82 2nvm n LYS 65 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2nvm s LYS 66 N -2.42 4.11 0.01 -1.58 2.47 -0.66 -5.04 119.74 116.63 2nvm s LYS 66 Ca 0.29 0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 54.86 2nvm s LYS 66 Cb 0.20 -3.64 -0.05 0.00 -1.46 0.00 0.00 37.83 32.88 2nvm s LYS 66 CO 0.47 -0.35 1.32 0.50 0.16 0.00 0.00 175.35 177.45 2nvm s ARG 67 N 2.31 4.33 -0.15 4.03 6.06 -1.26 -0.93 118.95 133.34 2nvm s ARG 67 Ca 0.24 1.88 -0.03 0.00 -2.50 0.00 0.00 55.73 55.33 2nvm s ARG 67 Cb -0.16 -3.48 -0.02 0.00 0.06 0.00 0.00 34.95 31.35 2nvm s ARG 67 CO 0.09 -0.47 -0.07 0.08 -2.50 0.00 0.00 175.30 172.43 2nvm s VAL 68 N 1.94 3.59 -0.39 7.11 1.01 0.24 -4.94 120.40 128.96 2nvm s VAL 68 Ca 0.61 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2nvm s VAL 68 Cb -0.30 -2.56 0.18 0.00 0.00 0.00 0.00 36.38 33.70 2nvm s VAL 68 CO 0.26 0.50 0.61 -1.58 0.00 0.00 0.00 175.10 174.89 2nvm s GLN 69 N 0.45 0.77 -0.06 2.72 0.74 -1.25 -1.49 119.66 121.53 2nvm s GLN 69 Ca -0.06 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.19 2nvm s GLN 69 Cb -0.15 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.06 2nvm s GLN 69 CO 0.03 -1.17 -0.04 -1.58 -0.55 0.00 0.00 175.29 171.99 2nvm s HIS 70 N 1.99 0.87 -0.13 1.67 2.46 -0.48 -5.00 115.29 116.67 2nvm s HIS 70 Ca 0.15 -0.28 -0.29 0.00 0.47 0.00 0.00 55.06 55.10 2nvm s HIS 70 Cb -0.06 -0.80 -0.01 0.00 -0.13 0.00 0.00 32.58 31.58 2nvm s HIS 70 CO -0.10 -0.27 1.10 0.42 -2.47 0.00 0.00 174.74 173.42 2nvm s ILE 71 N 1.27 4.55 -0.25 0.89 1.01 -1.26 -0.87 121.20 126.54 2nvm s ILE 71 Ca -0.05 1.85 -0.14 0.00 0.00 0.00 0.00 60.65 62.30 2nvm s ILE 71 Cb -0.14 -4.19 -0.15 0.00 0.01 0.00 0.00 42.46 37.99 2nvm s ILE 71 CO -0.02 -0.06 -0.14 -0.38 0.00 0.00 0.00 174.94 174.34 2nvm n ILE 72 N 4.87 1.54 -3.73 2.92 5.41 0.32 -4.97 119.36 125.71 2nvm n ILE 72 Ca 0.11 -0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.39 2nvm n ILE 72 Cb 0.47 -1.87 -0.15 0.00 -0.71 0.00 0.00 39.64 37.38 2nvm n ILE 72 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2nvm s LEU 73 N -7.47 0.60 -0.07 1.39 2.96 -0.81 -3.24 118.68 112.04 2nvm s LEU 73 Ca -0.35 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2nvm s LEU 73 Cb 0.11 0.26 0.04 0.00 0.50 0.00 0.00 46.19 47.10 2nvm s LEU 73 CO 0.55 -0.17 0.14 -0.47 -1.32 0.00 0.00 176.35 175.08 2nvm s TYR 74 N 1.41 -0.13 0.05 5.38 5.04 -0.59 -0.44 117.35 128.06 2nvm s TYR 74 Ca -0.06 0.53 0.04 0.00 -2.44 0.00 0.00 57.07 55.14 2nvm s TYR 74 Cb -0.12 -0.29 -0.02 0.00 0.35 0.00 0.00 41.96 41.88 2nvm s TYR 74 CO -0.05 -0.25 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.29 2nvm s LEU 75 N 2.18 2.22 0.06 6.97 1.43 -0.01 -0.39 118.68 131.13 2nvm s LEU 75 Ca 0.02 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2nvm s LEU 75 Cb -0.12 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 2nvm s LEU 75 CO -0.05 -0.08 0.14 0.00 0.23 0.00 0.00 176.35 176.59 2nvm s GLN 76 N -1.42 0.70 -0.20 1.70 -2.07 -0.68 -0.94 119.66 116.75 2nvm s GLN 76 Ca -0.03 -0.83 -0.04 0.00 -1.82 0.00 0.00 55.36 52.64 2nvm s GLN 76 Cb -0.09 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 2nvm s GLN 76 CO 0.01 -0.20 -0.03 0.42 -1.32 0.00 0.00 175.29 174.18 2nvm s ILE 77 N -3.12 3.65 -0.13 3.63 1.01 -0.74 -0.29 121.20 125.21 2nvm s ILE 77 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 2nvm s ILE 77 Cb 0.02 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 39.89 2nvm s ILE 77 CO -0.07 0.44 0.33 0.00 0.00 0.00 0.00 174.94 175.64 2nvm s GLN 78 N 1.08 0.35 -1.48 2.79 -2.07 -0.41 -4.81 119.66 115.10 2nvm s GLN 78 Ca 0.01 0.57 -0.12 0.00 -1.82 0.00 0.00 55.36 54.01 2nvm s GLN 78 Cb -0.15 0.05 0.07 0.00 -1.09 0.00 0.00 33.01 31.89 2nvm s GLN 78 CO 0.01 -0.11 1.01 0.09 -1.32 0.00 0.00 175.29 174.97 2nvm n ASN 79 N 3.62 -4.91 -0.85 12.60 4.13 -1.26 -2.13 115.26 126.46 2nvm n ASN 79 Ca -0.19 -0.73 -0.11 0.00 1.68 0.00 0.00 54.58 55.23 2nvm n ASN 79 Cb 0.56 -4.14 -0.05 0.00 -1.54 0.00 0.00 39.78 34.61 2nvm n ASN 79 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2nvm n GLY 80 N -1.75 1.17 3.31 7.41 0.00 -1.26 -5.01 105.19 109.05 2nvm n GLY 80 Ca 0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 2nvm n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nvm s LYS 81 N -2.78 1.19 -0.28 1.61 1.02 -0.91 -4.96 119.74 114.64 2nvm s LYS 81 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.56 2nvm s LYS 81 Cb 0.00 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 2nvm s LYS 81 CO 0.00 0.31 0.42 0.42 -0.92 0.00 0.00 175.35 175.58 2nvm s ILE 82 N -1.51 5.13 -0.31 2.17 1.01 0.62 -1.29 121.20 127.02 2nvm s ILE 82 Ca 0.10 0.62 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 2nvm s ILE 82 Cb -0.08 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2nvm s ILE 82 CO 0.05 0.10 0.19 0.26 0.00 0.00 0.00 174.94 175.54 2nvm s TRP 83 N 2.16 3.20 -0.53 3.97 0.52 0.60 -0.03 118.94 128.83 2nvm s TRP 83 Ca 0.17 -0.18 -0.21 0.00 0.02 0.00 0.00 56.10 55.89 2nvm s TRP 83 Cb -0.16 -2.40 0.05 0.00 -1.15 0.00 0.00 33.47 29.82 2nvm s TRP 83 CO 0.10 -0.31 0.77 0.42 0.02 0.00 0.00 176.95 177.96 2nvm s ILE 84 N 1.71 4.65 -0.04 2.03 1.01 0.68 -1.69 121.20 129.54 2nvm s ILE 84 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2nvm s ILE 84 Cb -0.17 -4.42 -0.26 0.00 0.01 0.00 0.00 42.46 37.63 2nvm s ILE 84 CO 0.09 -0.97 0.66 -0.33 0.00 0.00 0.00 174.94 174.39 2nvm h GLU 85 N 9.16 0.17 -3.11 2.79 4.39 -1.02 0.37 114.58 127.33 2nvm h GLU 85 Ca -0.27 -0.30 -0.21 0.00 0.34 0.00 0.00 59.36 58.93 2nvm h GLU 85 Cb 1.08 0.11 -0.30 0.00 -0.10 0.00 0.00 28.75 29.54 2nvm h GLU 85 CO 1.03 0.95 -0.52 -2.00 -1.16 0.00 0.00 179.01 177.32 2nvm s GLU 86 N -2.60 0.17 -0.10 2.33 2.56 -0.90 -3.94 118.70 116.24 2nvm s GLU 86 Ca -0.11 0.46 0.01 0.00 0.00 0.00 0.00 54.97 55.33 2nvm s GLU 86 Cb 0.07 -0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.10 2nvm s GLU 86 CO 0.82 -0.15 -0.10 0.34 -0.56 0.00 0.00 175.26 175.61 2nvm s ASP 87 N 1.14 2.03 0.00 -1.70 2.15 -1.26 -1.54 116.67 117.50 2nvm s ASP 87 Ca -0.09 -0.31 0.24 0.00 0.43 0.00 0.00 52.55 52.82 2nvm s ASP 87 Cb -0.10 -0.85 0.16 0.00 -0.30 0.00 0.00 42.92 41.83 2nvm s ASP 87 CO -0.07 -0.05 1.23 -1.54 -0.17 0.00 0.00 175.17 174.57 2nvm n SER 88 N 4.47 2.85 -0.87 -0.34 3.41 -1.20 -4.61 113.62 117.34 2nvm n SER 88 Ca -0.17 -1.92 0.08 0.00 -0.26 0.00 0.00 58.87 56.60 2nvm n SER 88 Cb 0.51 0.07 0.17 0.00 -0.26 0.00 0.00 64.21 64.70 2nvm n SER 88 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2nvm n THR 89 N 1.14 0.64 -3.74 6.66 -2.24 -1.26 -4.98 114.28 110.50 2nvm n THR 89 Ca 0.13 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 2nvm n THR 89 Cb 0.58 0.81 0.05 0.00 -2.10 0.00 0.00 70.33 69.66 2nvm n THR 89 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2nvm n ASN 90 N 1.01 -4.22 0.00 3.42 3.02 -1.26 -2.22 115.26 115.01 2nvm n ASN 90 Ca 0.15 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 2nvm n ASN 90 Cb 0.48 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 2nvm n ASN 90 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2nvm n LEU 91 N -4.64 0.46 -0.21 3.41 4.77 -1.26 -4.91 117.00 114.62 2nvm n LEU 91 Ca -0.07 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2nvm n LEU 91 Cb 0.58 -1.34 0.29 0.00 -2.33 0.00 0.00 43.42 40.62 2nvm n LEU 91 CO 0.70 -0.43 1.23 0.00 -1.33 0.00 0.00 177.39 177.56 2nvm h ALA 92 N 0.00 1.56 -0.71 -1.18 0.00 -1.87 -1.73 119.26 115.33 2nvm h ALA 92 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2nvm h ALA 92 Cb 0.41 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2nvm h ALA 92 CO 0.00 0.37 0.42 -0.84 0.00 0.00 0.00 179.25 179.20 2nvm h ILE 93 N 0.91 1.20 -0.38 0.00 3.07 -1.91 -1.40 117.51 119.00 2nvm h ILE 93 Ca 0.29 -0.45 -0.09 0.00 1.55 0.00 0.00 64.86 66.16 2nvm h ILE 93 Cb 0.04 0.21 -0.01 0.00 -0.27 0.00 0.00 36.82 36.79 2nvm h ILE 93 CO -0.08 0.21 -0.12 0.58 -1.05 0.00 0.00 178.15 177.69 2nvm h VAL 94 N 0.97 1.28 -0.76 0.16 2.07 -1.77 -3.02 116.25 115.18 2nvm h VAL 94 Ca 0.25 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.62 2nvm h VAL 94 Cb -0.03 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2nvm h VAL 94 CO -0.05 0.40 0.45 -0.78 0.02 0.00 0.00 177.57 177.62 2nvm h ASP 95 N 0.56 0.70 0.00 0.57 3.58 -0.74 -1.85 116.42 119.24 2nvm h ASP 95 Ca 0.09 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2nvm h ASP 95 Cb 0.64 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2nvm h ASP 95 CO 0.04 0.45 0.00 -0.62 -2.88 0.00 0.00 179.24 176.24 2nvm n GLU 96 N -4.70 0.25 0.00 0.28 1.02 -0.58 -2.02 120.64 114.89 2nvm n GLU 96 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2nvm n GLU 96 Cb 0.16 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2nvm n GLU 96 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nvm n LEU 98 N 0.86 0.00 0.03 -4.62 4.77 -0.70 -1.38 117.00 115.96 2nvm n LEU 98 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2nvm n LEU 98 Cb 0.12 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.65 2nvm n LEU 98 CO 0.00 0.00 1.14 0.58 -1.33 0.00 0.00 177.39 177.78 2nvm h VAL 99 N 0.00 1.10 0.00 4.08 2.07 -1.68 -0.31 116.25 121.51 2nvm h VAL 99 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2nvm h VAL 99 Cb 0.00 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2nvm h VAL 99 CO 0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2nvm n ALA 100 N -2.48 2.48 -1.00 1.67 0.00 -0.48 -4.90 120.51 115.80 2nvm n ALA 100 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2nvm n ALA 100 Cb 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2nvm n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nvm n GLY 101 N 0.54 0.50 3.68 0.00 0.00 -0.13 -5.02 105.19 104.76 2nvm n GLY 101 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2nvm n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nvm s ILE 102 N -2.01 4.42 0.49 -0.61 1.01 -1.25 -5.00 121.20 118.25 2nvm s ILE 102 Ca 0.00 1.73 -0.22 0.00 0.00 0.00 0.00 60.65 62.16 2nvm s ILE 102 Cb 0.00 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 2nvm s ILE 102 CO 0.00 -0.07 1.16 -2.16 0.00 0.00 0.00 174.94 173.87 2nvm s PRO 103 N 2.70 3.61 0.51 2.79 0.04 -1.26 -4.21 135.00 139.18 2nvm s PRO 103 Ca 0.52 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.51 2nvm s PRO 103 Cb -0.21 -2.28 1.33 0.00 0.04 0.00 0.00 34.50 33.38 2nvm s PRO 103 CO 0.17 -0.67 2.10 -0.56 0.04 0.00 0.00 177.00 178.08 2nvm h GLN 104 N 1.76 0.00 0.00 4.56 3.07 -1.94 -1.53 115.11 121.04 2nvm h GLN 104 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.24 2nvm h GLN 104 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 2nvm h GLN 104 CO 0.59 0.09 -0.03 1.79 0.09 0.00 0.00 178.83 181.36 2nvm h THR 105 N 0.00 0.17 -0.35 1.86 1.35 -2.03 -2.05 112.91 111.86 2nvm h THR 105 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2nvm h THR 105 Cb 0.18 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2nvm h THR 105 CO 0.01 0.03 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 2nvm n ASP 106 N -3.27 2.45 -4.15 5.36 9.92 -0.57 -4.84 116.55 121.44 2nvm n ASP 106 Ca -0.02 -1.89 -0.33 0.00 -0.53 0.00 0.00 54.79 52.02 2nvm n ASP 106 Cb 0.16 -0.23 -0.16 0.00 -0.64 0.00 0.00 41.12 40.25 2nvm n ASP 106 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2nvm s ILE 107 N -1.54 2.19 -0.09 0.53 1.01 -0.77 -0.27 121.20 122.25 2nvm s ILE 107 Ca 0.34 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.10 2nvm s ILE 107 Cb 0.18 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 2nvm s ILE 107 CO 0.26 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.94 2nvm s ILE 108 N 1.16 2.87 -1.02 2.92 -1.09 0.95 -4.95 121.20 122.04 2nvm s ILE 108 Ca 0.02 -0.76 -0.16 0.00 -2.23 0.00 0.00 60.65 57.52 2nvm s ILE 108 Cb -0.14 -2.15 0.17 0.00 -1.58 0.00 0.00 42.46 38.76 2nvm s ILE 108 CO -0.09 0.56 1.18 -0.76 -1.23 0.00 0.00 174.94 174.59 2nvm s LEU 109 N -0.09 5.36 0.42 2.97 1.43 -1.26 -0.23 118.68 127.28 2nvm s LEU 109 Ca -0.03 -2.54 0.13 0.00 -1.03 0.00 0.00 54.13 50.67 2nvm s LEU 109 Cb -0.14 -2.36 0.99 0.00 0.03 0.00 0.00 46.19 44.71 2nvm s LEU 109 CO 0.04 -0.85 1.95 1.23 0.23 0.00 0.00 176.35 178.96 2nvm h GLY 110 N 9.59 0.69 2.00 -3.19 0.00 -0.58 -2.51 103.07 109.07 2nvm h GLY 110 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2nvm h GLY 110 CO 1.10 0.10 -0.05 0.27 0.00 0.00 0.00 176.54 177.97 2nvm h PHE 111 N 0.47 0.00 -3.38 5.60 -5.15 -1.62 -3.42 116.94 109.43 2nvm h PHE 111 Ca 0.32 0.00 -0.63 0.00 -0.20 0.00 0.00 57.97 57.46 2nvm h PHE 111 Cb 0.60 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 36.57 2nvm h PHE 111 CO -0.00 0.05 -0.62 -3.38 -2.00 0.00 0.00 178.31 172.36 2nvm s HIS 112 N -3.77 3.12 0.09 6.09 -3.43 -0.95 -5.06 115.29 111.37 2nvm s HIS 112 Ca -0.00 -0.20 -0.33 0.00 -0.80 0.00 0.00 55.06 53.73 2nvm s HIS 112 Cb 0.10 -2.07 -0.18 0.00 -1.43 0.00 0.00 32.58 29.00 2nvm s HIS 112 CO 0.54 -0.05 0.79 1.58 -2.00 0.00 0.00 174.74 175.61 2nvm n HIS 113 N 3.88 0.13 -0.41 0.38 -0.00 -1.26 -4.87 115.22 113.06 2nvm n HIS 113 Ca -0.17 0.98 0.34 0.00 0.46 0.00 0.00 57.72 59.34 2nvm n HIS 113 Cb 0.52 -1.96 0.62 0.00 -0.12 0.00 0.00 29.99 29.05 2nvm n HIS 113 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2nvm h PRO 114 N 2.02 0.12 -0.59 1.57 0.11 -1.91 -1.74 132.00 131.58 2nvm h PRO 114 Ca -0.39 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.85 2nvm h PRO 114 Cb 1.38 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.44 2nvm h PRO 114 CO 0.59 0.08 0.41 0.66 -0.21 0.00 0.00 178.00 179.53 2nvm h SER 115 N 0.13 0.15 -0.10 -2.05 4.64 -2.02 -2.72 113.55 111.57 2nvm h SER 115 Ca 0.80 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 2nvm h SER 115 Cb 2.38 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.45 2nvm h SER 115 CO -0.45 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 175.88 2nvm n LYS 116 N -4.42 1.53 -0.10 4.77 4.01 -0.65 -4.37 118.16 118.92 2nvm n LYS 116 Ca 0.11 -0.80 -0.13 0.00 -0.51 0.00 0.00 58.31 56.98 2nvm n LYS 116 Cb 0.55 -1.39 -0.12 0.00 -0.51 0.00 0.00 35.03 33.55 2nvm n LYS 116 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2nvm n ARG 117 N 0.01 0.79 0.00 1.97 1.74 -1.03 -5.09 116.66 115.05 2nvm n ARG 117 Ca 0.17 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 2nvm n ARG 117 Cb 0.27 -1.47 0.62 0.00 -1.02 0.00 0.00 32.46 30.87 2nvm n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52