#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhg n TYR 7 N 0.00 -1.62 -3.90 -1.77 4.01 -1.26 -5.01 117.16 107.60 2vhg n TYR 7 Ca 0.00 0.22 -0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2vhg n TYR 7 Cb 0.00 -1.76 -0.10 0.00 -0.31 0.00 0.00 39.34 37.18 2vhg n TYR 7 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2vhg s LYS 8 N -3.56 0.50 -0.12 -0.72 -2.85 -0.64 -5.02 119.74 107.34 2vhg s LYS 8 Ca 0.56 -0.55 0.03 0.00 -1.00 0.00 0.00 55.97 55.00 2vhg s LYS 8 Cb -0.20 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.78 2vhg s LYS 8 CO 0.68 -0.12 -0.22 -1.12 0.10 0.00 0.00 175.35 174.68 2vhg s SER 9 N -1.67 3.01 0.50 0.03 0.01 -1.26 -1.04 113.70 113.27 2vhg s SER 9 Ca -0.11 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2vhg s SER 9 Cb -0.06 -1.39 0.07 0.00 0.21 0.00 0.00 66.02 64.86 2vhg s SER 9 CO -0.01 0.09 0.50 -3.20 0.41 0.00 0.00 173.24 171.03 2vhg n ASN 10 N 3.94 0.83 -4.54 2.44 2.85 0.23 -4.90 115.26 116.11 2vhg n ASN 10 Ca -0.20 -1.66 -0.30 0.00 -0.11 0.00 0.00 54.58 52.31 2vhg n ASN 10 Cb 0.52 -0.31 -0.08 0.00 1.24 0.00 0.00 39.78 41.15 2vhg n ASN 10 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2vhg n HIS 11 N -2.02 1.09 -0.26 1.20 -0.00 -1.26 -2.51 115.22 111.46 2vhg n HIS 11 Ca 0.09 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 2vhg n HIS 11 Cb 0.31 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 2vhg n HIS 11 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2vhg n ASN 12 N 14.75 0.00 -4.58 0.26 4.13 -1.26 -4.96 115.26 123.60 2vhg n ASN 12 Ca 0.47 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.37 2vhg n ASN 12 Cb 0.39 -0.97 -0.11 0.00 -1.54 0.00 0.00 39.78 37.56 2vhg n ASN 12 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2vhg s VAL 13 N -2.12 4.94 -0.31 2.41 1.01 -1.04 -5.06 120.40 120.23 2vhg s VAL 13 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 2vhg s VAL 13 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2vhg s VAL 13 CO 0.00 0.34 0.23 -0.69 0.00 0.00 0.00 175.10 174.98 2vhg s VAL 14 N 1.24 5.29 0.08 2.92 1.01 -1.26 -0.60 120.40 129.08 2vhg s VAL 14 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2vhg s VAL 14 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2vhg s VAL 14 CO 0.05 0.11 -0.04 -0.72 0.00 0.00 0.00 175.10 174.50 2vhg s TYR 15 N 1.77 0.75 -0.39 5.22 -0.85 -0.21 -5.00 117.35 118.64 2vhg s TYR 15 Ca 0.07 -1.01 0.05 0.00 -0.52 0.00 0.00 57.07 55.66 2vhg s TYR 15 Cb -0.17 -0.47 0.17 0.00 0.38 0.00 0.00 41.96 41.87 2vhg s TYR 15 CO 0.11 -0.28 0.48 0.45 -1.52 0.00 0.00 175.55 174.78 2vhg s SER 16 N -3.00 0.13 -0.23 -0.18 0.15 -1.26 -1.62 113.70 107.69 2vhg s SER 16 Ca 0.11 -1.38 0.02 0.00 0.70 0.00 0.00 55.95 55.40 2vhg s SER 16 Cb 0.07 1.07 0.04 0.00 -1.71 0.00 0.00 66.02 65.49 2vhg s SER 16 CO -0.06 -0.21 -0.14 0.00 1.20 0.00 0.00 173.24 174.03 2vhg s LYS 18 N 1.19 1.80 0.12 0.00 1.02 -1.26 -1.19 119.74 121.43 2vhg s LYS 18 Ca -0.04 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.40 2vhg s LYS 18 Cb -0.17 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 2vhg s LYS 18 CO -0.08 0.26 -0.18 0.71 -0.92 0.00 0.00 175.35 175.14 2vhg s TYR 19 N -0.00 1.64 -0.34 3.18 1.51 0.62 -1.24 117.35 122.71 2vhg s TYR 19 Ca -0.03 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.48 2vhg s TYR 19 Cb -0.11 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2vhg s TYR 19 CO 0.02 0.21 0.14 -1.01 -1.11 0.00 0.00 175.55 173.80 2vhg s HIS 20 N -1.69 3.23 -0.10 2.71 3.76 0.12 -1.56 115.29 121.76 2vhg s HIS 20 Ca 0.09 -1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 53.82 2vhg s HIS 20 Cb -0.07 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.26 2vhg s HIS 20 CO 0.04 -0.67 -0.07 0.42 -0.85 0.00 0.00 174.74 173.62 2vhg s ILE 21 N 1.48 3.68 -0.03 0.60 1.01 0.86 -1.49 121.20 127.30 2vhg s ILE 21 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2vhg s ILE 21 Cb -0.19 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.75 2vhg s ILE 21 CO 0.04 0.55 0.06 -0.69 0.00 0.00 0.00 174.94 174.91 2vhg s VAL 22 N -0.27 -0.03 -0.00 2.92 1.01 -0.73 -0.61 120.40 122.69 2vhg s VAL 22 Ca 0.04 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2vhg s VAL 22 Cb -0.13 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2vhg s VAL 22 CO 0.02 0.04 0.25 -1.66 0.00 0.00 0.00 175.10 173.76 2vhg s TRP 23 N 0.52 -0.10 0.20 5.22 -2.14 -1.19 -0.45 118.94 121.01 2vhg s TRP 23 Ca -0.04 0.09 0.10 0.00 2.66 0.00 0.00 56.10 58.91 2vhg s TRP 23 Cb -0.06 0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.31 2vhg s TRP 23 CO -0.02 -0.37 -0.16 0.00 -2.66 0.00 0.00 176.95 173.74 2vhg s PRO 25 N -2.92 -0.36 0.41 0.00 0.04 -1.26 -3.86 135.00 127.05 2vhg s PRO 25 Ca 0.24 0.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.31 2vhg s PRO 25 Cb -0.08 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 2vhg s PRO 25 CO 0.13 -3.21 1.34 0.21 0.04 0.00 0.00 177.00 175.51 2vhg s LYS 26 N -5.11 3.92 -0.42 4.56 2.20 0.82 -2.04 119.74 123.68 2vhg s LYS 26 Ca 0.68 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 2vhg s LYS 26 Cb -0.16 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 2vhg s LYS 26 CO 0.57 -0.56 0.00 0.66 -0.36 0.00 0.00 175.35 175.66 2vhg n TYR 27 N 0.09 -0.01 -2.12 4.03 0.53 -1.26 -1.96 117.16 116.47 2vhg n TYR 27 Ca 0.04 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.72 2vhg n TYR 27 Cb 0.43 -2.23 -0.04 0.00 -1.03 0.00 0.00 39.34 36.47 2vhg n TYR 27 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2vhg n ARG 28 N 0.32 -1.63 -1.68 -0.72 1.74 -0.86 -4.89 116.66 108.94 2vhg n ARG 28 Ca -0.04 1.06 -0.42 0.00 -0.77 0.00 0.00 57.85 57.68 2vhg n ARG 28 Cb 0.52 -5.62 -0.03 0.00 -1.02 0.00 0.00 32.46 26.31 2vhg n ARG 28 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2vhg s ARG 29 N -4.58 4.14 -0.77 5.56 6.06 -0.83 -4.75 118.95 123.78 2vhg s ARG 29 Ca 0.00 2.61 -0.05 0.00 -2.50 0.00 0.00 55.73 55.79 2vhg s ARG 29 Cb 0.00 -4.01 -0.06 0.00 0.06 0.00 0.00 34.95 30.94 2vhg s ARG 29 CO 0.00 -0.93 2.06 1.63 -2.50 0.00 0.00 175.30 175.56 2vhg n LYS 30 N 7.05 1.87 0.00 5.12 5.02 -1.26 -4.44 118.16 131.52 2vhg n LYS 30 Ca 0.19 -1.31 0.12 0.00 -2.02 0.00 0.00 58.31 55.29 2vhg n LYS 30 Cb 0.40 -2.35 0.17 0.00 -0.02 0.00 0.00 35.03 33.23 2vhg n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2vhg n VAL 31 N 4.08 0.00 -2.05 -0.18 0.24 -1.19 -4.60 118.33 114.63 2vhg n VAL 31 Ca 0.40 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 62.21 2vhg n VAL 31 Cb 0.16 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 2vhg n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vhg n LEU 32 N -1.08 6.64 -4.01 1.34 4.77 -1.11 -4.64 117.00 118.91 2vhg n LEU 32 Ca 0.07 -4.34 -0.09 0.00 -0.03 0.00 0.00 56.01 51.63 2vhg n LEU 32 Cb 0.35 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 39.77 2vhg n LEU 32 CO 0.33 1.16 -0.19 0.68 -1.33 0.00 0.00 177.39 178.04 2vhg s VAL 33 N 2.09 0.13 0.00 4.08 -7.23 -1.26 -4.10 120.40 114.11 2vhg s VAL 33 Ca 0.44 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 2vhg s VAL 33 Cb 0.11 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.37 2vhg s VAL 33 CO -0.04 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 2vhg n GLY 34 N -0.06 4.12 0.15 2.32 0.00 -1.26 -2.04 105.19 108.42 2vhg n GLY 34 Ca -0.11 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2vhg n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhg h ALA 35 N -0.99 1.00 0.08 4.61 0.00 -1.98 -2.81 119.26 119.16 2vhg h ALA 35 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2vhg h ALA 35 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2vhg h ALA 35 CO 0.00 0.73 -0.04 0.28 0.00 0.00 0.00 179.25 180.23 2vhg h VAL 36 N 0.03 1.09 -0.02 0.00 2.07 -1.71 -0.23 116.25 117.48 2vhg h VAL 36 Ca -0.01 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 2vhg h VAL 36 Cb 1.05 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2vhg h VAL 36 CO 0.08 0.15 -0.25 1.05 0.02 0.00 0.00 177.57 178.61 2vhg h GLU 37 N -0.37 0.04 -0.11 1.57 4.11 -1.59 0.68 114.58 118.91 2vhg h GLU 37 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2vhg h GLU 37 Cb 0.32 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2vhg h GLU 37 CO 0.02 0.29 0.01 1.98 0.07 0.00 0.00 179.01 181.38 2vhg h MET 38 N 0.03 0.18 -0.44 1.06 4.05 -1.25 -2.70 114.93 115.88 2vhg h MET 38 Ca 0.00 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 2vhg h MET 38 Cb 0.47 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 2vhg h MET 38 CO 0.03 0.41 -0.16 0.00 0.23 0.00 0.00 176.91 177.42 2vhg h ARG 39 N -0.06 0.83 0.02 0.39 2.47 -0.56 -2.87 114.38 114.59 2vhg h ARG 39 Ca 0.03 -0.31 0.03 0.00 -1.26 0.00 0.00 59.98 58.47 2vhg h ARG 39 Cb 0.32 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 2vhg h ARG 39 CO 0.00 0.93 -0.22 1.25 0.56 0.00 0.00 179.97 182.49 2vhg h LEU 40 N 0.73 -0.65 -1.61 3.04 5.85 -0.79 -1.37 115.31 120.51 2vhg h LEU 40 Ca 0.11 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2vhg h LEU 40 Cb 0.68 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2vhg h LEU 40 CO 0.05 -0.29 0.10 0.11 -0.34 0.00 0.00 178.44 178.07 2vhg h LYS 41 N -0.36 0.35 0.64 1.25 1.57 -1.44 -1.95 116.57 116.63 2vhg h LYS 41 Ca 0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2vhg h LYS 41 Cb 0.43 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2vhg h LYS 41 CO -0.19 0.30 -0.31 0.93 -0.57 0.00 0.00 179.45 179.61 2vhg h GLU 42 N 0.36 -0.83 -0.85 3.15 5.08 -1.10 -2.12 114.58 118.26 2vhg h GLU 42 Ca 0.09 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2vhg h GLU 42 Cb 0.08 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 2vhg h GLU 42 CO -0.01 -0.52 0.51 0.82 -1.00 0.00 0.00 179.01 178.82 2vhg h ILE 43 N -1.01 1.00 -0.54 3.13 2.04 -1.07 -1.36 117.51 119.69 2vhg h ILE 43 Ca -0.09 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 2vhg h ILE 43 Cb 0.70 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2vhg h ILE 43 CO 0.15 0.17 0.03 0.40 0.00 0.00 0.00 178.15 178.89 2vhg h ILE 44 N 0.91 1.25 -0.61 -0.67 2.04 -1.34 0.23 117.51 119.32 2vhg h ILE 44 Ca 0.38 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2vhg h ILE 44 Cb 0.24 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2vhg h ILE 44 CO -0.20 0.37 0.17 1.56 0.00 0.00 0.00 178.15 180.05 2vhg h GLN 45 N 0.84 0.96 -0.39 2.37 1.08 -0.65 0.78 115.11 120.09 2vhg h GLN 45 Ca 0.16 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2vhg h GLN 45 Cb 0.46 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2vhg h GLN 45 CO 0.02 0.86 0.18 1.49 -0.95 0.00 0.00 178.83 180.43 2vhg h GLU 46 N 0.88 0.57 -0.46 1.46 4.81 -0.92 -1.25 114.58 119.67 2vhg h GLU 46 Ca 0.19 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2vhg h GLU 46 Cb 0.32 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2vhg h GLU 46 CO -0.00 0.52 0.28 0.28 -0.73 0.00 0.00 179.01 179.36 2vhg h VAL 47 N 0.50 1.14 -0.68 0.32 2.07 -0.68 -1.32 116.25 117.60 2vhg h VAL 47 Ca 0.13 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2vhg h VAL 47 Cb 0.14 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2vhg h VAL 47 CO -0.02 0.14 0.42 0.00 0.02 0.00 0.00 177.57 178.14 2vhg h ALA 48 N 1.14 0.88 -0.51 1.67 0.00 -0.54 0.96 119.26 122.87 2vhg h ALA 48 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2vhg h ALA 48 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2vhg h ALA 48 CO -0.03 0.19 0.21 0.87 0.00 0.00 0.00 179.25 180.49 2vhg h LYS 49 N 0.83 0.76 0.00 0.00 1.57 -0.88 0.41 116.57 119.25 2vhg h LYS 49 Ca 0.27 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2vhg h LYS 49 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2vhg h LYS 49 CO -0.11 0.67 -0.26 0.93 -0.57 0.00 0.00 179.45 180.11 2vhg h GLU 50 N 0.68 0.00 -0.34 3.15 5.08 -0.49 -2.82 114.58 119.84 2vhg h GLU 50 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2vhg h GLU 50 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2vhg h GLU 50 CO -0.01 0.26 0.01 1.28 -1.00 0.00 0.00 179.01 179.55 2vhg n LEU 51 N -3.98 4.35 -3.06 1.33 4.77 0.26 -4.96 117.00 115.72 2vhg n LEU 51 Ca -0.02 -3.04 -0.19 0.00 -0.03 0.00 0.00 56.01 52.73 2vhg n LEU 51 Cb 0.34 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2vhg n LEU 51 CO 0.36 0.69 -0.07 0.54 -1.33 0.00 0.00 177.39 177.58 2vhg n ARG 52 N -0.30 -3.13 -3.49 3.23 1.74 -0.27 -4.94 116.66 109.50 2vhg n ARG 52 Ca 0.24 0.51 -0.38 0.00 -0.77 0.00 0.00 57.85 57.45 2vhg n ARG 52 Cb 0.98 -5.19 -0.06 0.00 -1.02 0.00 0.00 32.46 27.17 2vhg n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2vhg s VAL 53 N -2.82 5.04 -0.48 1.55 1.01 0.13 -4.81 120.40 120.03 2vhg s VAL 53 Ca 0.27 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 2vhg s VAL 53 Cb -0.14 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.58 2vhg s VAL 53 CO 0.33 0.56 0.53 -0.70 0.00 0.00 0.00 175.10 175.82 2vhg s GLU 54 N -0.95 3.09 -0.46 2.72 2.56 -0.84 -4.38 118.70 120.44 2vhg s GLU 54 Ca 0.24 -0.96 -0.29 0.00 0.00 0.00 0.00 54.97 53.96 2vhg s GLU 54 Cb -0.17 -4.07 0.03 0.00 2.00 0.00 0.00 34.13 31.92 2vhg s GLU 54 CO 0.13 -1.09 1.11 0.42 -0.56 0.00 0.00 175.26 175.27 2vhg s ILE 55 N 2.28 4.27 0.00 -3.70 -1.09 -1.26 -1.61 121.20 120.09 2vhg s ILE 55 Ca 0.12 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 2vhg s ILE 55 Cb -0.20 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.11 2vhg s ILE 55 CO 0.11 -0.94 0.00 -0.38 -1.23 0.00 0.00 174.94 172.51 2vhg n ILE 56 N 6.70 0.00 -4.83 2.92 5.41 -0.19 -4.99 119.36 124.37 2vhg n ILE 56 Ca 0.11 0.37 -0.32 0.00 1.00 0.00 0.00 62.75 63.92 2vhg n ILE 56 Cb 0.49 -1.25 -0.13 0.00 -0.71 0.00 0.00 39.64 38.04 2vhg n ILE 56 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2vhg s GLU 57 N -0.74 2.28 -0.30 0.38 2.12 -0.99 -4.97 118.70 116.48 2vhg s GLU 57 Ca 0.00 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.52 2vhg s GLU 57 Cb 0.00 -2.26 0.20 0.00 0.26 0.00 0.00 34.13 32.32 2vhg s GLU 57 CO 0.00 0.58 0.69 1.41 -0.54 0.00 0.00 175.26 177.40 2vhg s MET 58 N -1.03 0.50 0.06 4.30 1.75 -1.26 -0.04 119.30 123.58 2vhg s MET 58 Ca 0.13 0.39 0.08 0.00 -1.25 0.00 0.00 55.69 55.04 2vhg s MET 58 Cb -0.10 0.20 -0.03 0.00 2.84 0.00 0.00 34.83 37.73 2vhg s MET 58 CO 0.03 -0.90 -0.19 1.14 -0.65 0.00 0.00 175.02 174.45 2vhg s GLN 59 N 2.75 1.97 0.06 4.11 -2.07 -0.95 -5.00 119.66 120.53 2vhg s GLN 59 Ca 0.14 -1.05 0.04 0.00 -1.82 0.00 0.00 55.36 52.68 2vhg s GLN 59 Cb -0.08 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 29.66 2vhg s GLN 59 CO -0.24 0.52 -0.03 0.99 -1.32 0.00 0.00 175.29 175.21 2vhg s THR 60 N -0.97 3.84 0.13 3.63 2.01 -1.26 -1.97 115.64 121.05 2vhg s THR 60 Ca 0.15 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2vhg s THR 60 Cb -0.10 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2vhg s THR 60 CO 0.06 0.22 -0.10 -1.81 -0.69 0.00 0.00 174.62 172.30 2vhg s ASP 61 N -1.97 1.67 0.22 3.53 1.01 -0.43 -5.02 116.67 115.68 2vhg s ASP 61 Ca 0.22 -0.97 -0.13 0.00 0.71 0.00 0.00 52.55 52.38 2vhg s ASP 61 Cb -0.11 0.00 0.27 0.00 1.01 0.00 0.00 42.92 44.09 2vhg s ASP 61 CO 0.14 -0.33 1.39 0.29 0.21 0.00 0.00 175.17 176.87 2vhg n LYS 62 N -0.02 -0.17 -0.59 8.23 5.02 -1.26 -2.27 118.16 127.10 2vhg n LYS 62 Ca -0.12 1.38 0.02 0.00 -2.02 0.00 0.00 58.31 57.58 2vhg n LYS 62 Cb 0.60 -2.06 0.21 0.00 -0.02 0.00 0.00 35.03 33.77 2vhg n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2vhg n ASP 63 N -5.36 2.85 -3.64 4.39 3.85 -1.26 -2.73 116.55 114.65 2vhg n ASP 63 Ca 0.11 -3.46 -0.03 0.00 -0.71 0.00 0.00 54.79 50.70 2vhg n ASP 63 Cb 0.38 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 39.55 2vhg n ASP 63 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2vhg s HIS 64 N -3.07 -0.04 0.16 2.11 -3.43 -0.96 -4.30 115.29 105.76 2vhg s HIS 64 Ca 0.42 0.04 0.10 0.00 -0.80 0.00 0.00 55.06 54.81 2vhg s HIS 64 Cb 0.37 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.98 2vhg s HIS 64 CO 0.03 -0.05 -0.17 -1.50 -2.00 0.00 0.00 174.74 171.04 2vhg s ILE 65 N -1.81 2.79 -0.12 -5.38 2.07 -0.80 -1.32 121.20 116.63 2vhg s ILE 65 Ca 0.11 -1.70 -0.00 0.00 -1.41 0.00 0.00 60.65 57.64 2vhg s ILE 65 Cb -0.01 -2.33 0.03 0.00 0.13 0.00 0.00 42.46 40.28 2vhg s ILE 65 CO -0.04 -0.02 -0.08 -2.28 -1.91 0.00 0.00 174.94 170.60 2vhg s HIS 66 N -1.45 1.57 0.01 3.50 2.46 -0.83 -3.14 115.29 117.41 2vhg s HIS 66 Ca 0.21 -0.81 0.06 0.00 0.47 0.00 0.00 55.06 54.99 2vhg s HIS 66 Cb -0.09 -1.28 -0.02 0.00 -0.13 0.00 0.00 32.58 31.06 2vhg s HIS 66 CO 0.11 -0.54 -0.19 0.42 -2.47 0.00 0.00 174.74 172.08 2vhg s ILE 67 N 1.68 1.48 -0.22 0.89 1.01 0.22 -2.25 121.20 124.01 2vhg s ILE 67 Ca 0.05 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2vhg s ILE 67 Cb -0.13 -1.26 0.06 0.00 0.01 0.00 0.00 42.46 41.14 2vhg s ILE 67 CO -0.09 0.31 -0.07 -0.22 0.00 0.00 0.00 174.94 174.88 2vhg s LEU 68 N -0.73 2.49 0.12 2.97 2.96 0.94 -0.10 118.68 127.33 2vhg s LEU 68 Ca 0.07 -1.10 0.04 0.00 -0.22 0.00 0.00 54.13 52.92 2vhg s LEU 68 Cb -0.08 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2vhg s LEU 68 CO 0.00 -0.21 -0.11 0.00 -1.32 0.00 0.00 176.35 174.72 2vhg s ALA 69 N 1.40 1.28 -0.23 5.97 0.00 -0.60 -1.02 121.76 128.55 2vhg s ALA 69 Ca -0.05 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.52 2vhg s ALA 69 Cb -0.18 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2vhg s ALA 69 CO -0.07 -0.05 0.07 0.34 0.00 0.00 0.00 175.76 176.06 2vhg s ASP 70 N -2.72 5.30 -0.04 0.00 2.15 -0.63 -0.28 116.67 120.45 2vhg s ASP 70 Ca 0.10 -0.12 0.02 0.00 0.43 0.00 0.00 52.55 52.98 2vhg s ASP 70 Cb -0.01 -1.94 0.01 0.00 -0.30 0.00 0.00 42.92 40.68 2vhg s ASP 70 CO 0.00 0.03 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.32 2vhg s ILE 71 N 1.25 0.74 -0.02 4.11 1.01 -0.33 -1.98 121.20 125.98 2vhg s ILE 71 Ca 0.05 -0.30 -0.32 0.00 0.00 0.00 0.00 60.65 60.08 2vhg s ILE 71 Cb -0.14 -0.69 -0.10 0.00 0.01 0.00 0.00 42.46 41.54 2vhg s ILE 71 CO 0.04 0.25 1.94 -0.67 0.00 0.00 0.00 174.94 176.50 2vhg n ASP 72 N 3.59 3.86 0.19 3.58 2.03 -1.26 -4.52 116.55 124.02 2vhg n ASP 72 Ca -0.21 0.92 0.18 0.00 0.52 0.00 0.00 54.79 56.21 2vhg n ASP 72 Cb 0.53 -1.46 0.81 0.00 -0.72 0.00 0.00 41.12 40.28 2vhg n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2vhg h PRO 73 N 10.08 0.00 0.00 -0.67 0.13 -1.98 0.41 132.00 139.98 2vhg h PRO 73 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2vhg h PRO 73 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2vhg h PRO 73 CO 0.94 0.00 -0.00 0.77 -0.23 0.00 0.00 178.00 179.48 2vhg h SER 74 N 0.00 0.00 0.00 1.44 0.02 -2.03 -3.34 113.55 109.64 2vhg h SER 74 Ca 0.11 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2vhg h SER 74 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2vhg h SER 74 CO -0.00 0.00 -0.34 0.15 -1.14 0.00 0.00 176.83 175.50 2vhg h PHE 75 N 0.00 0.00 0.00 3.45 3.57 -0.54 -3.51 116.94 119.91 2vhg h PHE 75 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2vhg h PHE 75 Cb 0.86 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2vhg h PHE 75 CO 0.00 0.65 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 2vhg n GLY 76 N 1.62 2.76 0.14 2.40 0.00 -1.09 -4.75 105.19 106.27 2vhg n GLY 76 Ca -0.11 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2vhg n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2vhg h VAL 77 N 0.00 1.19 -0.36 1.61 2.07 -1.91 -2.93 116.25 115.92 2vhg h VAL 77 Ca 0.00 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2vhg h VAL 77 Cb 0.00 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2vhg h VAL 77 CO 0.00 0.19 0.24 0.24 0.02 0.00 0.00 177.57 178.27 2vhg h MET 78 N 0.22 0.21 -0.30 1.57 2.86 -1.99 -0.84 114.93 116.67 2vhg h MET 78 Ca 0.08 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2vhg h MET 78 Cb 0.23 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2vhg h MET 78 CO -0.00 0.14 0.01 -0.22 1.06 0.00 0.00 176.91 177.90 2vhg h LYS 79 N 0.22 0.53 0.23 1.72 3.64 -1.81 0.11 116.57 121.20 2vhg h LYS 79 Ca 0.16 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2vhg h LYS 79 Cb 0.35 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2vhg h LYS 79 CO -0.03 0.67 -0.11 0.35 -2.27 0.00 0.00 179.45 178.06 2vhg h PHE 80 N 0.33 -0.28 -0.68 1.91 3.57 -1.21 -2.47 116.94 118.11 2vhg h PHE 80 Ca 0.09 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.69 2vhg h PHE 80 Cb 0.42 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 2vhg h PHE 80 CO 0.03 -0.10 0.28 0.82 -2.23 0.00 0.00 178.31 177.12 2vhg h ILE 81 N -0.41 0.77 -0.42 1.41 2.04 -1.09 0.69 117.51 120.50 2vhg h ILE 81 Ca -0.03 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2vhg h ILE 81 Cb 0.31 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2vhg h ILE 81 CO 0.05 0.09 0.19 0.50 0.00 0.00 0.00 178.15 178.98 2vhg h LYS 82 N 0.48 0.38 -0.30 2.37 3.64 -0.60 0.14 116.57 122.67 2vhg h LYS 82 Ca 0.35 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 2vhg h LYS 82 Cb 0.44 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2vhg h LYS 82 CO -0.32 0.25 -0.23 1.15 -2.27 0.00 0.00 179.45 178.03 2vhg h THR 83 N 0.39 1.30 0.18 1.00 2.02 -0.92 -0.77 112.91 116.10 2vhg h THR 83 Ca 0.18 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2vhg h THR 83 Cb 0.11 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2vhg h THR 83 CO -0.15 0.44 -0.12 0.00 0.37 0.00 0.00 175.52 176.07 2vhg h ALA 84 N 0.73 -0.96 -0.12 6.16 0.00 -0.47 0.79 119.26 125.39 2vhg h ALA 84 Ca 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2vhg h ALA 84 Cb 0.78 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2vhg h ALA 84 CO 0.06 -0.95 -0.23 0.87 0.00 0.00 0.00 179.25 179.00 2vhg h LYS 85 N -0.28 -0.29 -0.47 0.00 1.57 -0.82 -1.79 116.57 114.48 2vhg h LYS 85 Ca -0.02 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2vhg h LYS 85 Cb 0.23 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2vhg h LYS 85 CO 0.02 -0.20 0.22 0.78 -0.57 0.00 0.00 179.45 179.70 2vhg h GLY 86 N -0.31 0.65 0.69 3.86 0.00 -1.15 -1.41 103.07 105.40 2vhg h GLY 86 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2vhg h GLY 86 CO -0.29 0.09 -0.18 -0.09 0.00 0.00 0.00 176.54 176.07 2vhg h ARG 87 N 0.45 0.31 -0.20 4.80 2.43 -0.72 -2.82 114.38 118.62 2vhg h ARG 87 Ca 0.21 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2vhg h ARG 87 Cb 0.13 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2vhg h ARG 87 CO -0.16 0.77 -0.18 0.66 -1.51 0.00 0.00 179.97 179.56 2vhg h SER 88 N -0.13 -0.56 -0.20 -3.80 4.64 -1.24 0.29 113.55 112.55 2vhg h SER 88 Ca 0.01 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2vhg h SER 88 Cb 0.75 0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2vhg h SER 88 CO 0.04 -0.22 -0.17 0.77 -0.87 0.00 0.00 176.83 176.38 2vhg h SER 89 N -0.19 -0.54 0.64 4.97 4.64 -1.28 0.90 113.55 122.69 2vhg h SER 89 Ca 0.12 0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 2vhg h SER 89 Cb 0.37 0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2vhg h SER 89 CO -0.31 -0.21 -0.31 -0.09 -0.87 0.00 0.00 176.83 175.04 2vhg h ARG 90 N -0.18 -0.83 0.40 4.77 1.12 -1.19 -1.98 114.38 116.49 2vhg h ARG 90 Ca 0.12 0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 2vhg h ARG 90 Cb 0.36 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 2vhg h ARG 90 CO -0.31 -0.54 -0.28 0.82 -3.11 0.00 0.00 179.97 176.56 2vhg h ILE 91 N -0.88 0.43 -0.32 1.20 2.04 -0.75 -3.09 117.51 116.13 2vhg h ILE 91 Ca -0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2vhg h ILE 91 Cb 0.67 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2vhg h ILE 91 CO 0.14 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 178.06 2vhg h LEU 92 N -0.66 -0.55 0.00 1.44 3.38 -0.87 -0.66 115.31 117.39 2vhg h LEU 92 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2vhg h LEU 92 Cb 0.56 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2vhg h LEU 92 CO 0.02 -0.20 0.03 0.54 0.09 0.00 0.00 178.44 178.92 2vhg n ARG 93 N -5.34 0.00 -0.05 1.13 1.74 -0.75 -0.49 116.66 112.91 2vhg n ARG 93 Ca 0.01 0.37 -0.07 0.00 -0.77 0.00 0.00 57.85 57.39 2vhg n ARG 93 Cb 0.25 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.02 2vhg n ARG 93 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2vhg n GLN 94 N -1.36 0.66 -0.10 5.56 6.02 -0.27 -4.59 117.38 123.30 2vhg n GLN 94 Ca 0.00 0.11 -0.16 0.00 -0.01 0.00 0.00 57.00 56.94 2vhg n GLN 94 Cb 0.03 -1.65 -0.07 0.00 1.02 0.00 0.00 30.24 29.56 2vhg n GLN 94 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2vhg n GLU 95 N -2.84 0.53 -3.16 -1.09 4.71 0.36 -4.75 120.64 114.39 2vhg n GLU 95 Ca -0.23 0.51 -0.45 0.00 -0.01 0.00 0.00 57.16 56.98 2vhg n GLU 95 Cb 1.04 -1.69 -0.03 0.00 -1.01 0.00 0.00 31.44 29.75 2vhg n GLU 95 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2vhg s PHE 96 N -2.37 3.31 0.38 -0.32 0.40 -0.02 -4.94 117.98 114.43 2vhg s PHE 96 Ca -0.25 -1.44 0.14 0.00 -0.60 0.00 0.00 56.93 54.78 2vhg s PHE 96 Cb 0.05 -3.99 0.97 0.00 0.51 0.00 0.00 43.02 40.57 2vhg s PHE 96 CO 0.44 -1.21 1.84 -0.97 0.70 0.00 0.00 175.22 176.02 2vhg h ASN 97 N 8.60 0.53 -0.00 1.36 -0.73 -1.83 -1.67 115.58 121.83 2vhg h ASN 97 Ca -0.06 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2vhg h ASN 97 Cb 1.06 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.60 2vhg h ASN 97 CO 0.98 0.21 0.00 1.12 -0.37 0.00 0.00 177.43 179.37 2vhg h HIS 98 N 0.53 0.00 0.00 0.67 2.07 -1.93 -0.73 115.15 115.75 2vhg h HIS 98 Ca 0.49 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.98 2vhg h HIS 98 Cb 1.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.03 2vhg h HIS 98 CO -0.00 0.00 -0.14 -0.07 -3.07 0.00 0.00 177.93 174.65 2vhg h LEU 99 N 0.00 0.00 0.15 6.12 3.38 -1.66 0.15 115.31 123.45 2vhg h LEU 99 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2vhg h LEU 99 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2vhg h LEU 99 CO -0.00 0.14 -1.70 0.50 0.09 0.00 0.00 178.44 177.47 2vhg h LYS 100 N 0.00 0.32 0.04 1.13 3.64 -1.29 -3.18 116.57 117.22 2vhg h LYS 100 Ca -0.00 -0.54 -0.23 0.00 -1.27 0.00 0.00 60.65 58.61 2vhg h LYS 100 Cb 0.26 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2vhg h LYS 100 CO 0.02 1.26 -1.01 1.79 -2.27 0.00 0.00 179.45 179.24 2vhg h THR 101 N -0.05 1.44 0.00 1.00 1.35 -1.19 -3.30 112.91 112.17 2vhg h THR 101 Ca -0.35 -2.64 -0.00 0.00 -0.55 0.00 0.00 66.41 62.86 2vhg h THR 101 Cb 1.97 2.57 -0.00 0.00 -1.73 0.00 0.00 68.15 70.96 2vhg h THR 101 CO 0.12 0.78 -0.61 0.50 -0.25 0.00 0.00 175.52 176.05 2vhg h LYS 102 N 0.17 0.00 -4.35 4.72 3.64 -0.90 -3.47 116.57 116.38 2vhg h LYS 102 Ca -0.09 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.99 2vhg h LYS 102 Cb 1.67 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.23 2vhg h LYS 102 CO 0.17 0.01 -0.75 -0.51 -2.27 0.00 0.00 179.45 176.10 2vhg s LEU 103 N -5.70 2.08 0.28 5.20 1.43 -1.20 -5.04 118.68 115.73 2vhg s LEU 103 Ca 0.02 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 2vhg s LEU 103 Cb 0.08 -0.22 0.38 0.00 0.03 0.00 0.00 46.19 46.46 2vhg s LEU 103 CO 0.74 -0.02 1.63 1.55 0.23 0.00 0.00 176.35 180.49 2vhg h PRO 104 N 5.57 0.08 -3.59 1.29 0.13 -1.84 -3.40 132.00 130.24 2vhg h PRO 104 Ca -0.30 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 2vhg h PRO 104 Cb 1.20 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2vhg h PRO 104 CO 0.47 0.63 -0.29 0.95 -0.23 0.00 0.00 178.00 179.53 2vhg s THR 105 N -3.76 0.11 0.06 1.56 -4.23 -1.26 -5.07 115.64 103.04 2vhg s THR 105 Ca -0.02 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.43 2vhg s THR 105 Cb 0.13 -1.18 -0.30 0.00 1.34 0.00 0.00 72.50 72.49 2vhg s THR 105 CO 0.77 -0.51 1.09 0.25 -0.54 0.00 0.00 174.62 175.68 2vhg h LEU 106 N 2.84 0.80 -9.69 4.79 6.46 -1.88 -3.40 115.31 115.24 2vhg h LEU 106 Ca -0.33 -0.78 -0.61 0.00 -0.12 0.00 0.00 57.88 56.04 2vhg h LEU 106 Cb 1.21 -0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 40.75 2vhg h LEU 106 CO 0.51 1.59 -0.56 0.26 -0.62 0.00 0.00 178.44 179.63 2vhg s TRP 107 N -2.86 2.08 0.48 1.25 0.52 -1.26 -0.13 118.94 119.02 2vhg s TRP 107 Ca -0.08 -0.92 0.08 0.00 0.02 0.00 0.00 56.10 55.20 2vhg s TRP 107 Cb 0.06 -1.54 0.03 0.00 -1.15 0.00 0.00 33.47 30.86 2vhg s TRP 107 CO 0.93 0.18 0.59 0.95 0.02 0.00 0.00 176.95 179.62 2vhg s THR 108 N -2.95 2.58 -0.22 2.01 -4.23 -1.25 -4.55 115.64 107.02 2vhg s THR 108 Ca 0.23 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2vhg s THR 108 Cb 0.06 -2.68 0.28 0.00 1.34 0.00 0.00 72.50 71.50 2vhg s THR 108 CO 0.12 0.00 1.56 -0.46 -0.54 0.00 0.00 174.62 175.29 2vhg n ASN 109 N -1.91 4.07 -4.16 3.99 6.94 -1.26 -4.86 115.26 118.07 2vhg n ASN 109 Ca 0.09 -2.79 -0.18 0.00 -0.02 0.00 0.00 54.58 51.67 2vhg n ASN 109 Cb 0.61 -0.75 -0.12 0.00 -2.36 0.00 0.00 39.78 37.16 2vhg n ASN 109 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2vhg s SER 110 N 0.05 1.63 0.14 0.53 0.15 -1.26 -5.15 113.70 109.79 2vhg s SER 110 Ca 0.26 -0.60 -0.20 0.00 0.70 0.00 0.00 55.95 56.11 2vhg s SER 110 Cb 0.22 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 2vhg s SER 110 CO 0.04 -0.07 0.52 0.00 1.20 0.00 0.00 173.24 174.93 2vhg s PHE 112 N -3.70 3.01 -0.13 0.00 5.36 0.41 -4.98 117.98 117.94 2vhg s PHE 112 Ca 0.01 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.46 2vhg s PHE 112 Cb 0.00 -2.06 0.02 0.00 -0.34 0.00 0.00 43.02 40.64 2vhg s PHE 112 CO -0.12 -0.27 -0.15 0.42 -1.46 0.00 0.00 175.22 173.63 2vhg s ILE 113 N 0.99 1.60 -0.07 3.12 -1.09 -1.26 -1.77 121.20 122.73 2vhg s ILE 113 Ca 0.01 -0.68 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2vhg s ILE 113 Cb -0.14 -1.48 0.02 0.00 -1.58 0.00 0.00 42.46 39.28 2vhg s ILE 113 CO 0.01 0.46 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.60 2vhg s SER 114 N 1.23 1.48 0.20 3.58 0.15 -0.56 -4.97 113.70 114.80 2vhg s SER 114 Ca -0.01 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 2vhg s SER 114 Cb -0.14 -0.55 -0.08 0.00 -1.71 0.00 0.00 66.02 63.55 2vhg s SER 114 CO -0.06 -0.11 1.06 0.42 1.20 0.00 0.00 173.24 175.74 2vhg s THR 115 N 1.44 3.91 -0.02 6.45 -4.23 -1.26 0.14 115.64 122.07 2vhg s THR 115 Ca -0.02 1.73 0.04 0.00 -1.18 0.00 0.00 61.69 62.26 2vhg s THR 115 Cb -0.13 -4.10 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 2vhg s THR 115 CO -0.03 0.33 -0.14 0.54 -0.54 0.00 0.00 174.62 174.78 2vhg s VAL 116 N -0.54 1.13 0.00 2.29 0.11 -0.38 -4.91 120.40 118.10 2vhg s VAL 116 Ca 0.47 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2vhg s VAL 116 Cb -0.29 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 2vhg s VAL 116 CO 0.35 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 2vhg n GLY 117 N 2.85 4.13 3.72 6.54 0.00 -1.26 -4.12 105.19 117.06 2vhg n GLY 117 Ca -0.15 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2vhg n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vhg s GLY 118 N 0.00 1.95 -0.61 -0.02 0.00 -1.26 -5.01 107.32 102.37 2vhg s GLY 118 Ca 0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 44.72 43.38 2vhg s GLY 118 CO 0.00 -0.93 2.38 0.00 0.00 0.00 0.00 173.10 174.55 2vhg n ALA 119 N 0.88 0.61 -2.01 3.20 0.00 -1.26 -4.83 120.51 117.10 2vhg n ALA 119 Ca -0.12 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2vhg n ALA 119 Cb 0.52 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2vhg n ALA 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2vhg n PRO 120 N 8.28 3.38 -0.86 0.00 -0.04 -1.26 -4.99 135.00 139.51 2vhg n PRO 120 Ca 0.51 -3.07 -0.30 0.00 -0.04 0.00 0.00 63.50 60.60 2vhg n PRO 120 Cb 0.16 -3.04 0.16 0.00 -0.04 0.00 0.00 33.50 30.74 2vhg n PRO 120 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2vhg s LEU 121 N 0.68 2.41 0.00 1.53 2.96 -1.26 -2.67 118.68 122.33 2vhg s LEU 121 Ca 0.45 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 2vhg s LEU 121 Cb 0.12 -4.24 0.00 0.00 0.50 0.00 0.00 46.19 42.57 2vhg s LEU 121 CO -0.04 -3.04 0.00 0.59 -1.32 0.00 0.00 176.35 172.54 2vhg n ASN 122 N -4.17 0.00 -0.01 3.68 5.03 -1.26 -4.58 115.26 113.95 2vhg n ASN 122 Ca 0.09 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.56 2vhg n ASN 122 Cb 0.53 -0.68 -0.06 0.00 -1.02 0.00 0.00 39.78 38.55 2vhg n ASN 122 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2vhg n VAL 123 N -2.00 0.09 -0.03 2.41 0.31 -1.09 -4.08 118.33 113.94 2vhg n VAL 123 Ca 0.00 -0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 63.98 2vhg n VAL 123 Cb 0.00 0.11 -0.09 0.00 -0.91 0.00 0.00 33.84 32.95 2vhg n VAL 123 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2vhg h VAL 124 N 0.00 1.40 -0.66 2.52 2.07 -1.80 -2.59 116.25 117.20 2vhg h VAL 124 Ca -0.04 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.62 2vhg h VAL 124 Cb 0.54 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2vhg h VAL 124 CO 0.00 0.52 0.12 0.11 0.02 0.00 0.00 177.57 178.34 2vhg h LYS 125 N -0.04 1.09 -0.04 1.57 1.57 -1.90 -1.40 116.57 117.42 2vhg h LYS 125 Ca -0.03 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 2vhg h LYS 125 Cb 1.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2vhg h LYS 125 CO 0.08 0.99 -0.38 -0.56 -0.57 0.00 0.00 179.45 179.02 2vhg h GLN 126 N 1.01 0.08 0.24 3.15 3.07 -1.70 -1.14 115.11 119.82 2vhg h GLN 126 Ca 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.90 2vhg h GLN 126 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2vhg h GLN 126 CO 0.01 0.45 -0.12 -0.92 0.09 0.00 0.00 178.83 178.35 2vhg h TYR 127 N 0.07 -0.30 -0.17 0.06 3.20 -1.03 -1.33 116.97 117.47 2vhg h TYR 127 Ca 0.01 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2vhg h TYR 127 Cb 0.70 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 2vhg h TYR 127 CO 0.00 -0.01 -0.20 0.82 -1.64 0.00 0.00 178.16 177.13 2vhg h ILE 128 N -0.59 0.48 0.00 1.81 2.04 -0.99 -0.43 117.51 119.84 2vhg h ILE 128 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2vhg h ILE 128 Cb 0.43 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2vhg h ILE 128 CO 0.05 0.00 -0.02 -0.33 0.00 0.00 0.00 178.15 177.85 2vhg h GLU 129 N -0.23 0.00 0.00 2.37 5.08 -1.22 -0.40 114.58 120.17 2vhg h GLU 129 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2vhg h GLU 129 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2vhg h GLU 129 CO -0.31 0.02 0.00 -1.71 -1.00 0.00 0.00 179.01 176.01 2vhg n ASN 130 N -3.16 0.00 -0.43 1.42 4.05 -0.19 -5.09 115.26 111.86 2vhg n ASN 130 Ca -0.01 -0.62 0.14 0.00 0.45 0.00 0.00 54.58 54.55 2vhg n ASN 130 Cb 0.22 -0.12 0.57 0.00 1.23 0.00 0.00 39.78 41.68 2vhg n ASN 130 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21