#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbv s SER 4 N 0.00 -0.02 0.48 0.00 0.15 -1.26 -4.81 113.70 108.23 1vbv s SER 4 Ca 0.00 0.72 0.26 0.00 0.70 0.00 0.00 55.95 57.63 1vbv s SER 4 Cb 0.00 0.82 1.14 0.00 -1.71 0.00 0.00 66.02 66.26 1vbv s SER 4 CO 0.00 -0.22 1.92 0.11 1.20 0.00 0.00 173.24 176.25 1vbv h LYS 5 N 7.91 0.00 0.00 5.44 1.79 -2.00 -3.40 116.57 126.32 1vbv h LYS 5 Ca -0.22 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.10 1vbv h LYS 5 Cb 1.13 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 1vbv h LYS 5 CO 0.19 0.17 -1.53 1.19 -1.08 0.00 0.00 179.45 178.40 1vbv n PHE 6 N -3.42 0.00 -0.97 -1.35 3.72 -1.26 -5.08 117.46 109.10 1vbv n PHE 6 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1vbv n PHE 6 Cb 0.36 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1vbv n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vbv n GLY 7 N 2.82 -4.03 3.71 1.37 0.00 -1.26 -4.67 105.19 103.13 1vbv n GLY 7 Ca -0.17 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1vbv n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vbv n ILE 8 N -0.77 2.57 0.00 -0.61 5.41 -1.26 -2.86 119.36 121.83 1vbv n ILE 8 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1vbv n ILE 8 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 1vbv n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vbv n GLY 9 N 0.76 1.92 3.78 7.39 0.00 0.81 -4.93 105.19 114.93 1vbv n GLY 9 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1vbv n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vbv s GLN 10 N -0.38 4.49 -0.03 1.61 0.74 -1.13 -4.75 119.66 120.21 1vbv s GLN 10 Ca 0.00 1.38 -0.22 0.00 0.05 0.00 0.00 55.36 56.57 1vbv s GLN 10 Cb 0.00 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.32 1vbv s GLN 10 CO 0.00 0.18 0.63 -0.65 -0.55 0.00 0.00 175.29 174.91 1vbv s GLN 11 N -2.15 4.37 0.26 1.67 -0.21 -1.26 -1.57 119.66 120.77 1vbv s GLN 11 Ca 0.52 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.69 1vbv s GLN 11 Cb -0.20 -3.38 -0.05 0.00 1.00 0.00 0.00 33.01 30.38 1vbv s GLN 11 CO 0.25 0.25 0.11 0.14 -2.12 0.00 0.00 175.29 173.92 1vbv s VAL 12 N 0.18 0.45 0.09 1.09 -7.23 -0.28 -1.99 120.40 112.71 1vbv s VAL 12 Ca 0.33 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1vbv s VAL 12 Cb -0.18 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1vbv s VAL 12 CO 0.17 0.00 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.69 1vbv s ARG 13 N -4.01 0.89 -0.31 4.82 0.52 -0.18 -0.74 118.95 119.93 1vbv s ARG 13 Ca 0.38 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 1vbv s ARG 13 Cb 0.07 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.70 1vbv s ARG 13 CO 0.14 0.18 1.28 -1.58 0.02 0.00 0.00 175.30 175.34 1vbv s HIS 14 N -1.61 2.72 0.37 -0.53 5.65 -0.57 -1.60 115.29 119.73 1vbv s HIS 14 Ca 0.02 0.89 0.18 0.00 0.25 0.00 0.00 55.06 56.41 1vbv s HIS 14 Cb -0.08 -3.90 1.16 0.00 -1.18 0.00 0.00 32.58 28.58 1vbv s HIS 14 CO 0.02 -1.62 1.67 0.77 -0.65 0.00 0.00 174.74 174.93 1vbv h SER 15 N 9.20 0.45 0.00 9.88 0.02 -1.11 1.68 113.55 133.67 1vbv h SER 15 Ca -0.26 0.16 -0.29 0.00 -0.84 0.00 0.00 61.79 60.57 1vbv h SER 15 Cb 1.09 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 1vbv h SER 15 CO 1.04 -0.11 -1.57 -0.11 -1.14 0.00 0.00 176.83 174.93 1vbv n LEU 16 N -4.91 1.90 0.06 5.07 7.94 -1.26 -4.52 117.00 121.28 1vbv n LEU 16 Ca 0.32 0.40 0.12 0.00 -1.11 0.00 0.00 56.01 55.73 1vbv n LEU 16 Cb 1.06 -0.94 0.11 0.00 0.53 0.00 0.00 43.42 44.19 1vbv n LEU 16 CO 0.14 0.36 0.22 -0.07 -1.11 0.00 0.00 177.39 176.93 1vbv h LEU 17 N -0.98 0.00 0.26 -1.96 -0.00 -1.90 -3.48 115.31 107.26 1vbv h LEU 17 Ca -0.43 -0.20 -0.11 0.00 -0.00 0.00 0.00 57.88 57.14 1vbv h LEU 17 Cb 1.39 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.01 1vbv h LEU 17 CO -0.26 0.10 -0.10 0.61 -0.00 0.00 0.00 178.44 178.79 1vbv n GLY 18 N 1.31 0.70 3.75 0.83 0.00 0.57 -4.90 105.19 107.44 1vbv n GLY 18 Ca 0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1vbv n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbv s TYR 19 N -1.85 2.34 -0.16 1.61 2.02 -1.26 -4.50 117.35 115.56 1vbv s TYR 19 Ca 0.00 1.60 -0.09 0.00 -0.37 0.00 0.00 57.07 58.20 1vbv s TYR 19 Cb 0.00 -3.25 -0.05 0.00 -0.40 0.00 0.00 41.96 38.27 1vbv s TYR 19 CO 0.00 -2.09 0.15 -1.17 -1.57 0.00 0.00 175.55 170.87 1vbv s LEU 20 N -5.37 4.30 0.00 -1.29 2.96 -1.26 -1.51 118.68 116.50 1vbv s LEU 20 Ca 0.68 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 1vbv s LEU 20 Cb -0.22 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1vbv s LEU 20 CO 0.47 0.28 0.35 0.61 -1.32 0.00 0.00 176.35 176.74 1vbv n GLY 21 N 2.81 2.29 2.97 7.98 0.00 0.08 -1.80 105.19 119.52 1vbv n GLY 21 Ca -0.17 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1vbv n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vbv s VAL 22 N -2.64 0.81 -0.15 1.61 1.01 0.42 -1.13 120.40 120.32 1vbv s VAL 22 Ca 0.18 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1vbv s VAL 22 Cb -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1vbv s VAL 22 CO 0.13 0.27 1.26 -0.69 0.00 0.00 0.00 175.10 176.06 1vbv s VAL 23 N 0.54 4.27 -0.06 2.92 1.01 -0.61 -1.02 120.40 127.46 1vbv s VAL 23 Ca -0.09 1.55 0.17 0.00 0.00 0.00 0.00 61.98 63.60 1vbv s VAL 23 Cb -0.12 -4.00 -0.25 0.00 0.00 0.00 0.00 36.38 32.01 1vbv s VAL 23 CO 0.01 -0.12 0.30 1.33 0.00 0.00 0.00 175.10 176.62 1vbv n VAL 24 N 5.27 0.27 -3.46 2.92 0.24 0.78 -0.13 118.33 124.23 1vbv n VAL 24 Ca 0.13 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 1vbv n VAL 24 Cb 0.45 -0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 1vbv n VAL 24 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1vbv s ASP 25 N -4.23 -0.51 0.02 -1.34 2.15 -0.98 -4.87 116.67 106.90 1vbv s ASP 25 Ca -0.07 0.07 0.06 0.00 0.43 0.00 0.00 52.55 53.04 1vbv s ASP 25 Cb 0.09 0.53 -0.02 0.00 -0.30 0.00 0.00 42.92 43.22 1vbv s ASP 25 CO 0.70 -0.82 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.06 1vbv s ILE 26 N -3.29 1.45 -0.26 4.11 1.01 -1.26 -0.35 121.20 122.60 1vbv s ILE 26 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1vbv s ILE 26 Cb -0.01 -1.24 0.06 0.00 0.01 0.00 0.00 42.46 41.28 1vbv s ILE 26 CO -0.10 0.26 -0.10 -1.81 0.00 0.00 0.00 174.94 173.19 1vbv s ASP 27 N -0.82 4.48 0.90 3.58 1.01 0.73 -4.98 116.67 121.57 1vbv s ASP 27 Ca 0.06 -1.40 -0.13 0.00 0.71 0.00 0.00 52.55 51.79 1vbv s ASP 27 Cb -0.08 -1.56 0.14 0.00 1.01 0.00 0.00 42.92 42.43 1vbv s ASP 27 CO 0.01 -0.20 1.20 -2.84 0.21 0.00 0.00 175.17 173.55 1vbv s PRO 28 N 1.11 1.21 -0.22 8.23 0.02 -1.26 -1.15 135.00 142.94 1vbv s PRO 28 Ca -0.09 0.02 -0.08 0.00 0.02 0.00 0.00 61.00 60.87 1vbv s PRO 28 Cb -0.20 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.48 1vbv s PRO 28 CO -0.05 -2.10 0.17 0.28 -0.33 0.00 0.00 177.00 174.98 1vbv n VAL 29 N -3.64-12.37 -1.41 3.83 0.31 -1.26 -4.89 118.33 98.90 1vbv n VAL 29 Ca 0.10 2.44 -0.32 0.00 -0.01 0.00 0.00 64.34 66.55 1vbv n VAL 29 Cb 0.60 -6.57 0.08 0.00 -0.91 0.00 0.00 33.84 27.04 1vbv n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vbv n ALA 48 N 1.42 6.07 -0.30 3.52 0.00 -1.26 -4.78 120.51 125.18 1vbv n ALA 48 Ca -0.29 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1vbv n ALA 48 Cb 0.45 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1vbv n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vbv n ALA 49 N -0.92 0.00 -1.16 0.00 0.00 -1.26 -5.02 120.51 112.15 1vbv n ALA 49 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1vbv n ALA 49 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1vbv n ALA 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vbv n PRO 50 N 0.00 0.28 -4.25 0.00 -0.04 -1.26 -4.85 135.00 124.89 1vbv n PRO 50 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1vbv n PRO 50 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1vbv n PRO 50 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1vbv s TRP 51 N -0.64 2.74 0.05 0.54 0.52 -0.30 -2.37 118.94 119.48 1vbv s TRP 51 Ca 0.00 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.01 1vbv s TRP 51 Cb 0.00 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1vbv s TRP 51 CO 0.00 0.51 -0.19 0.71 0.02 0.00 0.00 176.95 178.00 1vbv s TYR 52 N -1.71 1.65 -0.34 -1.98 2.02 0.14 -0.19 117.35 116.94 1vbv s TYR 52 Ca 0.26 -0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 1vbv s TYR 52 Cb -0.09 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1vbv s TYR 52 CO 0.17 0.10 0.29 -1.01 -1.57 0.00 0.00 175.55 173.53 1vbv s HIS 53 N -0.88 3.22 -0.02 2.71 3.76 0.52 -1.70 115.29 122.89 1vbv s HIS 53 Ca 0.06 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.85 1vbv s HIS 53 Cb -0.09 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.04 1vbv s HIS 53 CO 0.02 -0.40 -0.08 0.14 -0.85 0.00 0.00 174.74 173.58 1vbv s VAL 54 N 1.85 0.68 -0.35 -0.90 -7.23 -0.67 -0.15 120.40 113.63 1vbv s VAL 54 Ca 0.08 -0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 59.73 1vbv s VAL 54 Cb -0.17 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.16 1vbv s VAL 54 CO 0.11 0.22 0.72 -0.69 -0.31 0.00 0.00 175.10 175.14 1vbv s VAL 55 N 0.23 4.81 -0.04 1.32 1.01 -0.19 -0.86 120.40 126.69 1vbv s VAL 55 Ca -0.03 0.79 0.06 0.00 0.00 0.00 0.00 61.98 62.80 1vbv s VAL 55 Cb -0.08 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1vbv s VAL 55 CO 0.00 -0.35 -0.22 -0.32 0.00 0.00 0.00 175.10 174.21 1vbv s MET 56 N 2.90 2.04 -0.28 2.72 1.75 0.13 -0.44 119.30 128.12 1vbv s MET 56 Ca 0.28 -0.80 -0.23 0.00 -1.25 0.00 0.00 55.69 53.69 1vbv s MET 56 Cb -0.14 -1.85 -0.00 0.00 2.84 0.00 0.00 34.83 35.68 1vbv s MET 56 CO 0.15 0.40 0.77 -1.21 -0.65 0.00 0.00 175.02 174.48 1vbv s GLU 57 N -0.30 4.05 0.00 4.11 2.02 -0.75 -0.07 118.70 127.76 1vbv s GLU 57 Ca 0.02 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1vbv s GLU 57 Cb -0.11 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1vbv s GLU 57 CO 0.01 -0.59 0.00 -0.40 0.02 0.00 0.00 175.26 174.31 1vbv n ASP 58 N 6.06 0.00 0.01 -0.19 5.68 -0.64 -4.33 116.55 123.14 1vbv n ASP 58 Ca 0.03 -0.06 -0.11 0.00 -0.50 0.00 0.00 54.79 54.15 1vbv n ASP 58 Cb 0.48 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.39 1vbv n ASP 58 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1vbv h ASP 59 N 0.00 -1.26 0.33 -1.12 5.19 -1.96 -2.08 116.42 115.52 1vbv h ASP 59 Ca 0.00 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1vbv h ASP 59 Cb 0.00 0.49 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1vbv h ASP 59 CO 0.00 -0.37 -0.07 0.78 -3.12 0.00 0.00 179.24 176.46 1vbv h ASN 60 N -0.46 0.00 0.00 6.45 2.35 -2.03 -3.45 115.58 118.44 1vbv h ASN 60 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1vbv h ASN 60 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1vbv h ASN 60 CO -0.30 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.16 1vbv n GLY 61 N -0.75 1.16 3.71 2.83 0.00 -0.78 -5.07 105.19 106.28 1vbv n GLY 61 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1vbv n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vbv s LEU 62 N 0.00 4.34 -0.97 0.99 1.43 -1.26 -4.68 118.68 118.53 1vbv s LEU 62 Ca 0.00 2.00 -0.22 0.00 -1.03 0.00 0.00 54.13 54.87 1vbv s LEU 62 Cb 0.00 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.72 1vbv s LEU 62 CO 0.00 -0.53 1.35 -2.16 0.23 0.00 0.00 176.35 175.24 1vbv s PRO 63 N 1.44 3.56 0.19 1.29 0.04 -1.26 -1.62 135.00 138.64 1vbv s PRO 63 Ca 0.59 -1.22 -0.03 0.00 0.04 0.00 0.00 61.00 60.38 1vbv s PRO 63 Cb -0.29 -5.15 -0.05 0.00 0.04 0.00 0.00 34.50 29.05 1vbv s PRO 63 CO 0.27 -2.09 0.41 0.08 0.04 0.00 0.00 177.00 175.71 1vbv s VAL 64 N 4.43 5.16 -0.32 -0.36 1.01 0.90 -4.75 120.40 126.48 1vbv s VAL 64 Ca 0.41 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 1vbv s VAL 64 Cb -0.02 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1vbv s VAL 64 CO -0.08 -0.09 0.78 -2.28 0.00 0.00 0.00 175.10 173.42 1vbv s HIS 65 N -1.80 3.19 0.23 5.22 2.46 -1.26 0.21 115.29 123.53 1vbv s HIS 65 Ca 0.40 0.76 0.10 0.00 0.47 0.00 0.00 55.06 56.79 1vbv s HIS 65 Cb -0.11 -3.24 -0.04 0.00 -0.13 0.00 0.00 32.58 29.05 1vbv s HIS 65 CO 0.27 -0.59 -0.14 0.95 -2.47 0.00 0.00 174.74 172.76 1vbv s THR 66 N 2.96 2.85 -0.26 0.89 -4.23 -0.04 -4.98 115.64 112.83 1vbv s THR 66 Ca 0.32 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1vbv s THR 66 Cb -0.14 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.32 1vbv s THR 66 CO 0.13 -0.24 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.46 1vbv s TYR 67 N -2.03 2.74 0.14 3.99 5.04 -1.26 -1.67 117.35 124.31 1vbv s TYR 67 Ca 0.26 -2.06 0.10 0.00 -2.44 0.00 0.00 57.07 52.93 1vbv s TYR 67 Cb -0.07 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.34 1vbv s TYR 67 CO 0.15 -0.83 -0.25 -0.51 -1.34 0.00 0.00 175.55 172.77 1vbv s LEU 68 N 1.27 2.35 0.40 6.97 1.43 -0.69 -4.95 118.68 125.47 1vbv s LEU 68 Ca -0.03 -0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 52.08 1vbv s LEU 68 Cb -0.19 -1.13 -0.11 0.00 0.03 0.00 0.00 46.19 44.80 1vbv s LEU 68 CO -0.08 0.13 0.93 0.00 0.23 0.00 0.00 176.35 177.57 1vbv s ALA 69 N -1.29 3.09 0.25 4.21 0.00 -1.26 -0.69 121.76 126.07 1vbv s ALA 69 Ca 0.15 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 1vbv s ALA 69 Cb -0.09 -3.13 0.48 0.00 0.00 0.00 0.00 23.12 20.38 1vbv s ALA 69 CO 0.07 0.15 1.69 1.49 0.00 0.00 0.00 175.76 179.16 1vbv h GLU 70 N 2.20 0.30 0.00 0.00 4.81 -1.80 0.45 114.58 120.54 1vbv h GLU 70 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1vbv h GLU 70 Cb 1.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1vbv h GLU 70 CO 0.62 0.20 0.08 0.00 -0.73 0.00 0.00 179.01 179.18 1vbv n ALA 71 N -2.62 0.84 1.04 2.92 0.00 -1.26 -0.77 120.51 120.65 1vbv n ALA 71 Ca 0.15 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1vbv n ALA 71 Cb 0.47 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 19.13 1vbv n ALA 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1vbv n GLN 72 N -1.48 1.42 -4.24 0.00 6.02 0.16 -4.90 117.38 114.36 1vbv n GLN 72 Ca -0.00 -1.15 -0.29 0.00 -0.01 0.00 0.00 57.00 55.55 1vbv n GLN 72 Cb 0.09 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 1vbv n GLN 72 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1vbv s LEU 73 N -2.37 3.04 0.06 1.08 1.43 0.05 -0.54 118.68 121.43 1vbv s LEU 73 Ca 0.22 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1vbv s LEU 73 Cb 0.19 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1vbv s LEU 73 CO 0.50 0.16 -0.08 -0.44 0.23 0.00 0.00 176.35 176.72 1vbv s SER 74 N -2.38 1.05 0.69 2.29 0.01 -0.63 -4.76 113.70 109.96 1vbv s SER 74 Ca 0.22 -0.66 -0.14 0.00 1.31 0.00 0.00 55.95 56.68 1vbv s SER 74 Cb -0.10 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1vbv s SER 74 CO 0.14 -0.24 1.12 -0.44 0.41 0.00 0.00 173.24 174.24 1vbv s SER 75 N -1.92 4.84 -0.22 2.44 0.01 -1.26 -1.01 113.70 116.57 1vbv s SER 75 Ca -0.04 2.04 -0.07 0.00 1.31 0.00 0.00 55.95 59.19 1vbv s SER 75 Cb -0.07 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1vbv s SER 75 CO -0.00 -1.81 0.06 -0.70 0.41 0.00 0.00 173.24 171.20 1vbv s GLU 76 N -4.16 3.77 0.00 12.44 2.56 -0.84 -4.56 118.70 127.91 1vbv s GLU 76 Ca 0.68 -0.43 0.00 0.00 0.00 0.00 0.00 54.97 55.21 1vbv s GLU 76 Cb -0.22 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.65 1vbv s GLU 76 CO 0.44 -0.00 0.70 1.28 -0.56 0.00 0.00 175.26 177.11 1vbv n LEU 77 N 4.36 0.16 -4.66 2.70 7.99 -1.26 -4.85 117.00 121.44 1vbv n LEU 77 Ca -0.16 0.73 -0.38 0.00 -0.01 0.00 0.00 56.01 56.20 1vbv n LEU 77 Cb 0.52 -0.30 0.06 0.00 -0.11 0.00 0.00 43.42 43.58 1vbv n LEU 77 CO 0.33 -0.30 0.68 0.00 -1.51 0.00 0.00 177.39 176.58 1vbv n GLN 78 N -1.40 1.01 -0.01 3.23 6.02 -1.26 -4.95 117.38 120.01 1vbv n GLN 78 Ca 0.00 0.39 0.09 0.00 -0.01 0.00 0.00 57.00 57.47 1vbv n GLN 78 Cb 0.00 -2.30 -0.15 0.00 1.02 0.00 0.00 30.24 28.82 1vbv n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1vbv n ASP 79 N -1.11 0.70 -4.32 1.08 8.00 -1.26 -4.94 116.55 114.71 1vbv n ASP 79 Ca 0.14 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 1vbv n ASP 79 Cb 0.47 1.81 -0.16 0.00 -0.02 0.00 0.00 41.12 43.23 1vbv n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1vbv s GLU 80 N -3.26 2.33 -0.43 -1.24 2.02 -1.26 -4.90 118.70 111.96 1vbv s GLU 80 Ca -0.07 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.06 1vbv s GLU 80 Cb 0.12 -2.13 0.16 0.00 0.10 0.00 0.00 34.13 32.38 1vbv s GLU 80 CO 0.78 0.50 0.32 -1.01 0.02 0.00 0.00 175.26 175.87 1vbv s HIS 81 N -0.45 1.33 0.31 1.61 3.76 -1.26 -5.00 115.29 115.59 1vbv s HIS 81 Ca 0.05 -2.29 0.08 0.00 -0.15 0.00 0.00 55.06 52.75 1vbv s HIS 81 Cb -0.11 -1.17 0.88 0.00 1.11 0.00 0.00 32.58 33.28 1vbv s HIS 81 CO 0.01 -0.80 1.66 -1.35 -0.85 0.00 0.00 174.74 173.41 1vbv h PRO 82 N 5.98 0.28 0.00 8.40 0.11 -1.98 0.60 132.00 145.40 1vbv h PRO 82 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1vbv h PRO 82 Cb 0.91 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1vbv h PRO 82 CO 0.39 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 1vbv n GLU 83 N -5.12 0.18 -2.92 1.05 -0.00 -1.26 -3.94 120.64 108.62 1vbv n GLU 83 Ca 0.26 0.05 -0.13 0.00 -0.00 0.00 0.00 57.16 57.34 1vbv n GLU 83 Cb 0.81 -1.50 0.01 0.00 -0.00 0.00 0.00 31.44 30.76 1vbv n GLU 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1vbv n GLN 84 N -1.40 1.05 -0.28 3.44 6.02 0.20 -4.97 117.38 121.45 1vbv n GLN 84 Ca 0.09 -3.10 0.09 0.00 -0.01 0.00 0.00 57.00 54.07 1vbv n GLN 84 Cb 0.26 -1.36 0.24 0.00 1.02 0.00 0.00 30.24 30.40 1vbv n GLN 84 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1vbv h PRO 85 N 2.93 0.30 -0.41 -1.09 0.11 -1.47 -1.67 132.00 130.70 1vbv h PRO 85 Ca -0.02 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.19 1vbv h PRO 85 Cb 1.08 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1vbv h PRO 85 CO 0.43 0.20 0.30 0.66 -0.21 0.00 0.00 178.00 179.37 1vbv h SER 86 N 0.31 0.02 0.53 -2.05 4.64 -1.93 0.85 113.55 115.93 1vbv h SER 86 Ca 0.49 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.58 1vbv h SER 86 Cb 0.89 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1vbv h SER 86 CO -0.54 0.01 -1.02 0.24 -0.87 0.00 0.00 176.83 174.65 1vbv h MET 87 N 0.02 0.28 -0.12 4.77 2.86 -1.67 0.20 114.93 121.28 1vbv h MET 87 Ca 0.20 -0.36 -0.20 0.00 -2.06 0.00 0.00 59.70 57.27 1vbv h MET 87 Cb 0.75 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1vbv h MET 87 CO -0.01 1.09 -0.74 -0.44 1.06 0.00 0.00 176.91 177.88 1vbv h ASP 88 N 0.13 0.69 -0.71 1.22 3.32 -1.36 -1.43 116.42 118.28 1vbv h ASP 88 Ca -0.08 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.47 1vbv h ASP 88 Cb 1.69 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1vbv h ASP 88 CO 0.17 1.21 0.26 -0.08 -1.72 0.00 0.00 179.24 179.08 1vbv h GLU 89 N 0.40 1.09 0.01 3.56 4.22 -0.82 -1.56 114.58 121.49 1vbv h GLU 89 Ca -0.04 -0.21 -0.00 0.00 0.08 0.00 0.00 59.36 59.20 1vbv h GLU 89 Cb 1.34 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1vbv h GLU 89 CO 0.14 0.91 -0.01 1.25 -2.18 0.00 0.00 179.01 179.12 1vbv h LEU 90 N 1.06 -0.01 -0.41 1.64 6.46 -0.86 -1.71 115.31 121.47 1vbv h LEU 90 Ca 0.24 -0.49 0.08 0.00 -0.12 0.00 0.00 57.88 57.59 1vbv h LEU 90 Cb 0.24 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 1vbv h LEU 90 CO -0.02 0.48 -0.03 0.00 -0.62 0.00 0.00 178.44 178.25 1vbv h ALA 91 N 0.47 0.35 -0.19 1.25 0.00 -1.11 0.10 119.26 120.13 1vbv h ALA 91 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1vbv h ALA 91 Cb 0.50 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1vbv h ALA 91 CO 0.00 -0.41 0.07 0.37 0.00 0.00 0.00 179.25 179.28 1vbv h GLN 92 N 0.07 0.28 0.64 0.00 4.15 -1.31 -0.38 115.11 118.56 1vbv h GLN 92 Ca 0.20 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1vbv h GLN 92 Cb 0.30 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1vbv h GLN 92 CO -0.37 0.35 -0.47 1.15 -1.93 0.00 0.00 178.83 177.56 1vbv h THR 93 N 0.15 0.06 -1.00 2.39 2.02 -0.83 -2.79 112.91 112.90 1vbv h THR 93 Ca 0.06 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.40 1vbv h THR 93 Cb 0.18 0.06 -0.10 0.00 -1.74 0.00 0.00 68.15 66.55 1vbv h THR 93 CO -0.01 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.90 1vbv h ILE 94 N -1.07 0.79 0.00 3.11 2.04 -0.77 -0.97 117.51 120.64 1vbv h ILE 94 Ca -0.08 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1vbv h ILE 94 Cb 0.89 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1vbv h ILE 94 CO 0.03 0.16 0.00 0.54 0.00 0.00 0.00 178.15 178.88 1vbv n ARG 95 N -4.71 0.15 0.00 2.37 1.74 -0.16 -1.54 116.66 114.52 1vbv n ARG 95 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1vbv n ARG 95 Cb 0.48 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1vbv n ARG 95 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vbv n LYS 96 N 0.28 0.00 0.00 5.56 5.02 -0.42 -5.05 118.16 123.55 1vbv n LYS 96 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1vbv n LYS 96 Cb 0.03 -0.37 0.40 0.00 -0.02 0.00 0.00 35.03 35.08 1vbv n LYS 96 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92