#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhg s LYS 3 N 0.00 1.29 0.43 -1.46 3.01 -1.26 -5.14 119.74 116.61 1vhg s LYS 3 Ca 0.00 -1.38 -0.23 0.00 -1.01 0.00 0.00 55.97 53.36 1vhg s LYS 3 Cb 0.00 0.36 -0.12 0.00 -1.01 0.00 0.00 37.83 37.07 1vhg s LYS 3 CO 0.00 -0.47 0.70 0.45 0.51 0.00 0.00 175.35 176.53 1vhg n SER 4 N -0.28 -0.21 -4.57 2.83 2.88 -1.26 -4.84 113.62 108.17 1vhg n SER 4 Ca -0.02 0.94 -0.28 0.00 -1.33 0.00 0.00 58.87 58.18 1vhg n SER 4 Cb 0.64 -1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 62.85 1vhg n SER 4 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vhg s LEU 5 N 0.92 3.12 -0.35 2.46 1.43 -1.26 -4.96 118.68 120.04 1vhg s LEU 5 Ca 0.64 -1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 1vhg s LEU 5 Cb -0.58 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1vhg s LEU 5 CO 0.57 -2.89 0.84 -1.58 0.23 0.00 0.00 176.35 173.52 1vhg s GLN 6 N 6.58 3.85 0.39 1.70 0.74 -1.26 -5.00 119.66 126.66 1vhg s GLN 6 Ca 0.68 0.50 -0.25 0.00 0.05 0.00 0.00 55.36 56.33 1vhg s GLN 6 Cb -0.03 -3.78 -0.11 0.00 1.10 0.00 0.00 33.01 30.19 1vhg s GLN 6 CO 0.08 -0.83 1.05 1.63 -0.55 0.00 0.00 175.29 176.67 1vhg n LYS 7 N 6.47 1.45 -0.82 1.67 5.02 -1.26 -4.43 118.16 126.27 1vhg n LYS 7 Ca 0.05 0.52 -0.31 0.00 -2.02 0.00 0.00 58.31 56.55 1vhg n LYS 7 Cb 0.48 -2.05 0.15 0.00 -0.02 0.00 0.00 35.03 33.59 1vhg n LYS 7 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1vhg s PRO 8 N -1.93 1.18 -0.08 1.97 0.04 -1.26 -4.69 135.00 130.23 1vhg s PRO 8 Ca 0.61 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1vhg s PRO 8 Cb -0.58 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1vhg s PRO 8 CO 0.58 -2.47 0.04 0.95 0.04 0.00 0.00 177.00 176.14 1vhg s THR 9 N -2.70 4.63 -0.44 1.26 -4.23 0.20 -4.87 115.64 109.49 1vhg s THR 9 Ca 0.66 -0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.75 1vhg s THR 9 Cb -0.22 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.66 1vhg s THR 9 CO 0.58 0.57 0.88 -0.63 -0.54 0.00 0.00 174.62 175.49 1vhg s ILE 10 N -0.96 4.55 -0.02 2.99 1.01 -1.26 -1.33 121.20 126.19 1vhg s ILE 10 Ca 0.15 0.76 0.10 0.00 0.00 0.00 0.00 60.65 61.65 1vhg s ILE 10 Cb -0.12 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 37.75 1vhg s ILE 10 CO 0.04 -0.73 0.76 -0.07 0.00 0.00 0.00 174.94 174.94 1vhg h LEU 11 N 10.33 0.05 -7.00 2.97 3.38 -1.14 -3.49 115.31 120.41 1vhg h LEU 11 Ca -0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1vhg h LEU 11 Cb 1.08 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 1vhg h LEU 11 CO 1.00 1.08 0.22 0.21 0.09 0.00 0.00 178.44 181.04 1vhg s ASN 12 N -6.31 -0.62 -0.04 -0.43 2.47 -1.20 -4.96 114.94 103.86 1vhg s ASN 12 Ca -0.05 0.59 0.01 0.00 0.42 0.00 0.00 52.86 53.84 1vhg s ASN 12 Cb 0.08 0.53 0.01 0.00 -1.45 0.00 0.00 41.25 40.42 1vhg s ASN 12 CO 0.82 -0.64 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.82 1vhg s VAL 13 N -1.54 0.59 -0.07 -5.21 1.01 -1.26 -0.81 120.40 113.11 1vhg s VAL 13 Ca -0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1vhg s VAL 13 Cb -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1vhg s VAL 13 CO 0.06 0.22 0.25 -0.70 0.00 0.00 0.00 175.10 174.93 1vhg s GLU 14 N 0.61 0.36 -0.22 2.72 2.12 -0.75 -4.96 118.70 118.58 1vhg s GLU 14 Ca -0.08 0.21 -0.27 0.00 0.36 0.00 0.00 54.97 55.18 1vhg s GLU 14 Cb -0.12 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1vhg s GLU 14 CO 0.00 -0.06 0.95 0.99 -0.54 0.00 0.00 175.26 176.61 1vhg s THR 15 N -0.20 4.75 -0.13 -1.70 2.01 -1.26 -0.09 115.64 119.03 1vhg s THR 15 Ca -0.03 1.85 0.19 0.00 0.31 0.00 0.00 61.69 64.01 1vhg s THR 15 Cb -0.03 -4.24 -0.28 0.00 0.01 0.00 0.00 72.50 67.97 1vhg s THR 15 CO 0.01 -0.11 0.22 0.52 -0.69 0.00 0.00 174.62 174.57 1vhg n VAL 16 N 5.19 0.82 -3.64 3.82 0.31 -0.26 -4.93 118.33 119.65 1vhg n VAL 16 Ca 0.09 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.58 1vhg n VAL 16 Cb 0.47 -0.28 -0.08 0.00 -0.91 0.00 0.00 33.84 33.04 1vhg n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vhg s ALA 17 N -2.87 -1.59 -0.09 3.52 0.00 -1.04 -5.01 121.76 114.68 1vhg s ALA 17 Ca -0.09 1.69 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1vhg s ALA 17 Cb 0.09 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1vhg s ALA 17 CO 0.84 -0.31 0.17 -0.98 0.00 0.00 0.00 175.76 175.48 1vhg s ARG 18 N 0.06 0.06 0.14 0.00 1.70 -1.26 -0.04 118.95 119.61 1vhg s ARG 18 Ca -0.02 0.55 0.02 0.00 -0.47 0.00 0.00 55.73 55.81 1vhg s ARG 18 Cb -0.04 -0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.12 1vhg s ARG 18 CO 0.02 -0.28 0.13 -1.13 -1.08 0.00 0.00 175.30 172.96 1vhg n SER 19 N 5.13 1.18 -0.06 -2.89 3.41 0.38 -4.99 113.62 115.78 1vhg n SER 19 Ca -0.09 -1.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.97 1vhg n SER 19 Cb 0.50 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1vhg n SER 19 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1vhg h ARG 20 N 0.00 0.31 0.00 4.33 2.43 -2.06 -3.31 114.38 116.08 1vhg h ARG 20 Ca -0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1vhg h ARG 20 Cb 0.31 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1vhg h ARG 20 CO 0.12 0.40 -1.50 1.28 -1.51 0.00 0.00 179.97 178.76 1vhg n LEU 21 N -4.81 0.18 -4.45 3.80 4.32 -1.26 -4.97 117.00 109.82 1vhg n LEU 21 Ca -0.04 -0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.50 1vhg n LEU 21 Cb 0.14 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.81 1vhg n LEU 21 CO 0.35 0.05 -0.44 -0.36 -1.22 0.00 0.00 177.39 175.77 1vhg s PHE 22 N -2.97 2.77 -0.24 -1.77 0.08 -1.25 -5.09 117.98 109.51 1vhg s PHE 22 Ca -0.03 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 1vhg s PHE 22 Cb 0.11 -1.72 0.08 0.00 -0.57 0.00 0.00 43.02 40.92 1vhg s PHE 22 CO 0.67 0.05 0.08 -0.08 -0.10 0.00 0.00 175.22 175.83 1vhg s THR 23 N -0.32 0.42 -0.17 0.64 -1.32 -1.26 0.14 115.64 113.77 1vhg s THR 23 Ca 0.03 -0.77 -0.13 0.00 -1.21 0.00 0.00 61.69 59.62 1vhg s THR 23 Cb -0.13 -1.13 -0.05 0.00 -1.51 0.00 0.00 72.50 69.69 1vhg s THR 23 CO 0.02 -0.44 0.25 0.54 -2.21 0.00 0.00 174.62 172.78 1vhg s VAL 24 N 1.88 5.34 0.20 5.08 0.11 0.95 -0.75 120.40 133.20 1vhg s VAL 24 Ca 0.04 0.45 0.06 0.00 -2.93 0.00 0.00 61.98 59.60 1vhg s VAL 24 Cb -0.17 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 1vhg s VAL 24 CO -0.18 0.41 0.15 -1.61 -3.33 0.00 0.00 175.10 170.53 1vhg s GLU 25 N 0.41 2.88 -0.18 1.54 2.02 -0.48 -1.10 118.70 123.80 1vhg s GLU 25 Ca 0.14 -0.96 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 1vhg s GLU 25 Cb -0.12 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1vhg s GLU 25 CO 0.02 0.45 0.01 0.45 0.02 0.00 0.00 175.26 176.21 1vhg s SER 26 N -3.38 5.13 -0.14 -0.19 0.15 0.88 -1.44 113.70 114.70 1vhg s SER 26 Ca 0.31 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.92 1vhg s SER 26 Cb -0.09 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1vhg s SER 26 CO 0.24 0.15 -0.20 -0.69 1.20 0.00 0.00 173.24 173.94 1vhg s VAL 27 N 0.51 1.92 -0.30 4.45 1.01 0.36 -1.80 120.40 126.55 1vhg s VAL 27 Ca -0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1vhg s VAL 27 Cb -0.14 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1vhg s VAL 27 CO 0.02 0.52 0.65 -1.81 0.00 0.00 0.00 175.10 174.48 1vhg s ASP 28 N 1.00 6.53 0.21 3.32 1.11 0.01 0.54 116.67 129.39 1vhg s ASP 28 Ca -0.03 0.50 0.11 0.00 0.18 0.00 0.00 52.55 53.31 1vhg s ASP 28 Cb -0.15 -2.34 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 1vhg s ASP 28 CO -0.05 -0.48 -0.18 -0.76 1.18 0.00 0.00 175.17 174.88 1vhg s LEU 29 N 2.64 2.65 -0.31 1.23 1.43 0.49 -0.49 118.68 126.32 1vhg s LEU 29 Ca 0.26 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1vhg s LEU 29 Cb -0.15 -1.33 0.10 0.00 0.03 0.00 0.00 46.19 44.85 1vhg s LEU 29 CO 0.11 0.10 0.12 -0.70 0.23 0.00 0.00 176.35 176.21 1vhg s GLU 30 N -2.89 0.47 0.90 1.70 2.12 -0.44 -1.53 118.70 119.03 1vhg s GLU 30 Ca 0.24 -0.85 -0.11 0.00 0.36 0.00 0.00 54.97 54.61 1vhg s GLU 30 Cb -0.08 -1.57 0.13 0.00 0.26 0.00 0.00 34.13 32.87 1vhg s GLU 30 CO 0.13 -1.02 1.09 -0.06 -0.54 0.00 0.00 175.26 174.86 1vhg s PHE 31 N 1.79 2.12 0.45 5.30 0.40 -0.50 0.59 117.98 128.14 1vhg s PHE 31 Ca 0.10 1.42 0.40 0.00 -0.60 0.00 0.00 56.93 58.25 1vhg s PHE 31 Cb -0.17 -3.16 2.08 0.00 0.51 0.00 0.00 43.02 42.28 1vhg s PHE 31 CO -0.29 -2.52 2.23 0.66 0.70 0.00 0.00 175.22 176.00 1vhg h SER 32 N -1.65 0.00 -0.23 1.36 4.64 -1.84 -0.74 113.55 115.09 1vhg h SER 32 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1vhg h SER 32 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1vhg h SER 32 CO 0.51 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.01 1vhg n ASN 33 N -3.01 1.75 0.00 4.97 0.23 -1.26 -4.90 115.26 113.04 1vhg n ASN 33 Ca -0.02 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1vhg n ASN 33 Cb 0.13 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1vhg n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vhg n GLY 34 N 1.11 1.31 3.75 4.83 0.00 -0.29 -5.04 105.19 110.86 1vhg n GLY 34 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1vhg n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhg s VAL 35 N -2.46 2.92 0.01 1.61 1.01 -1.26 -4.79 120.40 117.45 1vhg s VAL 35 Ca 0.00 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.86 1vhg s VAL 35 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1vhg s VAL 35 CO 0.00 0.17 -0.08 -0.13 0.00 0.00 0.00 175.10 175.06 1vhg s ARG 36 N -0.99 2.49 0.07 2.72 0.52 -1.26 -1.41 118.95 121.08 1vhg s ARG 36 Ca 0.53 -0.76 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 1vhg s ARG 36 Cb -0.38 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 32.67 1vhg s ARG 36 CO 0.46 0.59 0.52 0.50 0.02 0.00 0.00 175.30 177.38 1vhg s ARG 37 N -1.48 1.08 -0.22 3.54 6.06 -0.58 -5.01 118.95 122.35 1vhg s ARG 37 Ca 0.17 -0.34 -0.02 0.00 -2.50 0.00 0.00 55.73 53.04 1vhg s ARG 37 Cb -0.11 0.49 0.01 0.00 0.06 0.00 0.00 34.95 35.40 1vhg s ARG 37 CO 0.08 -0.41 -0.09 0.08 -2.50 0.00 0.00 175.30 172.46 1vhg s VAL 38 N -2.83 2.91 0.17 7.11 1.01 -1.26 -0.38 120.40 127.12 1vhg s VAL 38 Ca -0.03 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1vhg s VAL 38 Cb -0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1vhg s VAL 38 CO -0.05 0.41 0.13 -0.31 0.00 0.00 0.00 175.10 175.28 1vhg s TYR 39 N 1.40 3.13 -0.07 5.22 1.51 0.19 -4.86 117.35 123.87 1vhg s TYR 39 Ca 0.04 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.13 1vhg s TYR 39 Cb -0.14 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1vhg s TYR 39 CO -0.06 0.52 -0.22 -1.21 -1.11 0.00 0.00 175.55 173.47 1vhg s GLU 40 N -3.10 2.67 0.00 -0.62 2.02 -1.26 0.13 118.70 118.55 1vhg s GLU 40 Ca 0.31 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1vhg s GLU 40 Cb -0.10 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1vhg s GLU 40 CO 0.23 0.38 0.00 2.89 0.02 0.00 0.00 175.26 178.78 1vhg n ARG 41 N 2.96 0.00 -3.75 1.61 1.85 -0.52 -4.83 116.66 113.99 1vhg n ARG 41 Ca -0.18 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.31 1vhg n ARG 41 Cb 0.52 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.81 1vhg n ARG 41 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1vhg s ARG 43 N 2.27 3.54 0.42 2.89 3.52 0.07 -1.38 118.95 130.28 1vhg s ARG 43 Ca 0.00 -0.56 -0.23 0.00 -0.13 0.00 0.00 55.73 54.81 1vhg s ARG 43 Cb 0.00 -3.35 -0.11 0.00 -1.56 0.00 0.00 34.95 29.93 1vhg s ARG 43 CO 0.00 -0.25 0.75 -2.30 -0.81 0.00 0.00 175.30 172.70 1vhg n PRO 44 N 4.92 0.88 -4.09 5.12 -0.02 -1.26 -4.96 135.00 135.59 1vhg n PRO 44 Ca -0.16 0.32 -0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1vhg n PRO 44 Cb 0.51 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 1vhg n PRO 44 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1vhg s THR 45 N -1.38 0.27 -2.49 3.45 -1.32 -1.26 -5.04 115.64 107.87 1vhg s THR 45 Ca 0.64 -1.70 0.22 0.00 -1.21 0.00 0.00 61.69 59.64 1vhg s THR 45 Cb -0.58 -1.37 0.11 0.00 -1.51 0.00 0.00 72.50 69.15 1vhg s THR 45 CO 0.57 -0.91 1.15 0.59 -2.21 0.00 0.00 174.62 173.80 1vhg n ASN 46 N 0.30 2.54 -4.64 8.08 4.13 -1.26 -4.68 115.26 119.72 1vhg n ASN 46 Ca -0.15 -1.77 -0.43 0.00 1.68 0.00 0.00 54.58 53.91 1vhg n ASN 46 Cb 0.60 0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.99 1vhg n ASN 46 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1vhg s ARG 47 N -2.05 3.94 0.32 3.52 6.06 -1.26 -4.99 118.95 124.48 1vhg s ARG 47 Ca 0.23 1.99 0.07 0.00 -2.50 0.00 0.00 55.73 55.51 1vhg s ARG 47 Cb 0.18 -4.05 -0.02 0.00 0.06 0.00 0.00 34.95 31.12 1vhg s ARG 47 CO 0.37 -1.14 0.40 -1.21 -2.50 0.00 0.00 175.30 171.23 1vhg s GLU 48 N 4.51 3.08 0.28 5.12 2.02 -1.26 -4.45 118.70 127.99 1vhg s GLU 48 Ca 0.76 -1.04 0.10 0.00 0.02 0.00 0.00 54.97 54.81 1vhg s GLU 48 Cb -0.30 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 1vhg s GLU 48 CO 0.31 0.14 -0.05 0.00 0.02 0.00 0.00 175.26 175.68 1vhg s ALA 49 N -2.17 3.07 0.18 5.21 0.00 0.64 -1.21 121.76 127.48 1vhg s ALA 49 Ca 0.42 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1vhg s ALA 49 Cb -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1vhg s ALA 49 CO 0.30 0.25 0.08 1.55 0.00 0.00 0.00 175.76 177.93 1vhg n VAL 50 N -0.84 0.00 -3.64 0.00 3.14 0.10 0.13 118.33 117.22 1vhg n VAL 50 Ca -0.06 -1.12 -0.04 0.00 -2.96 0.00 0.00 64.34 60.16 1vhg n VAL 50 Cb 0.60 0.43 -0.07 0.00 -1.06 0.00 0.00 33.84 33.74 1vhg n VAL 50 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1vhg s ILE 52 N -2.33 0.00 -0.67 1.55 1.09 0.30 -0.59 121.20 120.55 1vhg s ILE 52 Ca 0.11 0.00 -0.01 0.00 -1.10 0.00 0.00 60.65 59.65 1vhg s ILE 52 Cb 0.01 -1.00 0.17 0.00 -1.06 0.00 0.00 42.46 40.58 1vhg s ILE 52 CO 0.08 0.00 0.49 -0.69 -0.10 0.00 0.00 174.94 174.72 1vhg s VAL 53 N 1.35 3.61 0.20 2.92 1.01 -0.12 -3.42 120.40 125.96 1vhg s VAL 53 Ca -0.08 -3.33 -0.30 0.00 0.00 0.00 0.00 61.98 58.26 1vhg s VAL 53 Cb -0.04 -3.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1vhg s VAL 53 CO -0.16 -0.92 0.95 -2.16 0.00 0.00 0.00 175.10 172.81 1vhg s PRO 54 N -0.51 4.80 -0.09 2.72 0.05 -1.26 -0.69 135.00 140.02 1vhg s PRO 54 Ca 0.20 1.49 0.03 0.00 0.05 0.00 0.00 61.00 62.77 1vhg s PRO 54 Cb -0.17 -3.31 0.01 0.00 0.05 0.00 0.00 34.50 31.08 1vhg s PRO 54 CO -0.06 0.41 -0.18 0.42 0.05 0.00 0.00 177.00 177.65 1vhg s ILE 55 N -0.80 1.59 0.00 0.56 1.01 -0.32 -1.66 121.20 121.58 1vhg s ILE 55 Ca 0.43 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1vhg s ILE 55 Cb -0.25 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1vhg s ILE 55 CO 0.32 0.46 0.00 0.52 0.00 0.00 0.00 174.94 176.23 1vhg n VAL 56 N 3.84 0.00 -3.17 2.92 0.31 -0.56 -4.53 118.33 117.13 1vhg n VAL 56 Ca -0.20 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.86 1vhg n VAL 56 Cb 0.52 -0.69 -0.06 0.00 -0.91 0.00 0.00 33.84 32.70 1vhg n VAL 56 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vhg n ASP 57 N -1.95 4.13 -0.81 4.52 8.00 -1.26 -4.72 116.55 124.46 1vhg n ASP 57 Ca 0.00 -3.57 -0.09 0.00 0.71 0.00 0.00 54.79 51.84 1vhg n ASP 57 Cb 0.00 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 1vhg n ASP 57 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1vhg n ASP 58 N 0.28 -3.83 -4.26 -2.24 10.43 -1.26 -4.96 116.55 110.71 1vhg n ASP 58 Ca 0.30 0.16 -0.21 0.00 2.57 0.00 0.00 54.79 57.61 1vhg n ASP 58 Cb 0.40 -2.43 -0.12 0.00 1.84 0.00 0.00 41.12 40.81 1vhg n ASP 58 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1vhg s HIS 59 N -2.38 1.59 -0.10 1.24 3.76 -1.26 0.67 115.29 118.81 1vhg s HIS 59 Ca 0.00 -0.47 -0.14 0.00 -0.15 0.00 0.00 55.06 54.30 1vhg s HIS 59 Cb 0.00 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 1vhg s HIS 59 CO 0.00 0.18 0.35 -0.51 -0.85 0.00 0.00 174.74 173.92 1vhg s LEU 60 N -2.14 4.33 -0.47 0.89 1.02 0.27 -1.50 118.68 121.09 1vhg s LEU 60 Ca 0.07 0.71 -0.18 0.00 0.02 0.00 0.00 54.13 54.75 1vhg s LEU 60 Cb -0.08 -2.48 0.05 0.00 0.02 0.00 0.00 46.19 43.70 1vhg s LEU 60 CO 0.04 0.17 0.50 -0.63 0.02 0.00 0.00 176.35 176.46 1vhg s ILE 61 N -0.10 5.04 0.31 -0.59 1.09 -0.66 -0.83 121.20 125.45 1vhg s ILE 61 Ca 0.21 -0.58 0.07 0.00 -1.10 0.00 0.00 60.65 59.25 1vhg s ILE 61 Cb -0.14 -4.17 -0.03 0.00 -1.06 0.00 0.00 42.46 37.06 1vhg s ILE 61 CO 0.08 -0.62 0.31 -0.76 -0.10 0.00 0.00 174.94 173.86 1vhg s LEU 62 N 2.22 3.76 0.10 2.97 2.01 0.43 -4.49 118.68 125.69 1vhg s LEU 62 Ca 0.11 -0.35 0.04 0.00 0.01 0.00 0.00 54.13 53.95 1vhg s LEU 62 Cb -0.20 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.58 1vhg s LEU 62 CO 0.11 -0.29 -0.12 0.27 1.01 0.00 0.00 176.35 177.34 1vhg s ILE 63 N -2.22 1.05 -0.23 -0.59 -4.36 -0.22 -0.26 121.20 114.37 1vhg s ILE 63 Ca 0.40 -1.61 -0.09 0.00 -0.26 0.00 0.00 60.65 59.09 1vhg s ILE 63 Cb -0.07 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1vhg s ILE 63 CO 0.27 -0.48 0.11 -0.13 0.24 0.00 0.00 174.94 174.95 1vhg s ARG 64 N -2.61 3.93 -0.01 0.37 0.52 0.10 -1.74 118.95 119.51 1vhg s ARG 64 Ca 0.05 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1vhg s ARG 64 Cb -0.04 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 32.05 1vhg s ARG 64 CO 0.01 0.05 -0.00 -2.00 0.02 0.00 0.00 175.30 173.38 1vhg s GLU 65 N 1.02 0.14 0.28 3.54 2.12 -0.62 -3.84 118.70 121.33 1vhg s GLU 65 Ca 0.06 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 1vhg s GLU 65 Cb -0.14 -0.23 -0.10 0.00 0.26 0.00 0.00 34.13 33.93 1vhg s GLU 65 CO 0.04 -0.04 1.21 -0.47 -0.54 0.00 0.00 175.26 175.46 1vhg s TYR 66 N 0.42 3.33 -0.21 5.30 6.14 -1.26 -0.13 117.35 130.93 1vhg s TYR 66 Ca -0.04 1.50 0.01 0.00 0.64 0.00 0.00 57.07 59.19 1vhg s TYR 66 Cb -0.06 -3.49 0.05 0.00 0.42 0.00 0.00 41.96 38.88 1vhg s TYR 66 CO -0.01 -1.28 -0.11 0.00 0.64 0.00 0.00 175.55 174.78 1vhg s ALA 67 N -0.85 2.19 0.34 3.97 0.00 -0.38 -4.89 121.76 122.15 1vhg s ALA 67 Ca 0.49 -1.36 0.12 0.00 0.00 0.00 0.00 51.96 51.20 1vhg s ALA 67 Cb -0.35 -1.36 0.61 0.00 0.00 0.00 0.00 23.12 22.01 1vhg s ALA 67 CO 0.44 -0.88 1.76 -0.24 0.00 0.00 0.00 175.76 176.85 1vhg h VAL 68 N 6.45 1.32 -0.27 0.00 3.04 -1.95 0.11 116.25 124.95 1vhg h VAL 68 Ca -0.27 -1.53 0.06 0.00 -1.01 0.00 0.00 66.70 63.95 1vhg h VAL 68 Cb 1.09 1.82 -0.08 0.00 -2.01 0.00 0.00 31.29 32.11 1vhg h VAL 68 CO 0.49 0.44 -0.33 1.23 -1.01 0.00 0.00 177.57 178.39 1vhg h GLY 69 N 1.33 -0.35 -1.26 3.17 0.00 -1.95 -2.29 103.07 101.71 1vhg h GLY 69 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1vhg h GLY 69 CO 0.06 -0.21 -0.16 -1.30 0.00 0.00 0.00 176.54 174.93 1vhg n THR 70 N -5.41 0.00 -3.70 4.70 -2.24 -1.21 -4.98 114.28 101.44 1vhg n THR 70 Ca -0.01 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1vhg n THR 70 Cb 0.33 1.19 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 1vhg n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vhg n GLU 71 N 0.62 -5.34 -3.85 -0.78 1.02 0.35 -4.97 120.64 107.68 1vhg n GLU 71 Ca 0.13 0.65 -0.09 0.00 -0.02 0.00 0.00 57.16 57.83 1vhg n GLU 71 Cb 0.51 -5.34 -0.04 0.00 -0.02 0.00 0.00 31.44 26.55 1vhg n GLU 71 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1vhg s SER 72 N -4.14 -0.18 -0.17 1.62 1.04 -0.98 -4.98 113.70 105.91 1vhg s SER 72 Ca 0.14 -0.67 -0.26 0.00 0.48 0.00 0.00 55.95 55.64 1vhg s SER 72 Cb -0.07 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1vhg s SER 72 CO 0.80 -1.10 0.88 -0.31 0.98 0.00 0.00 173.24 174.50 1vhg s TYR 73 N -3.93 3.41 -0.03 5.02 1.51 -1.26 -1.24 117.35 120.82 1vhg s TYR 73 Ca 0.14 1.32 -0.03 0.00 -1.01 0.00 0.00 57.07 57.49 1vhg s TYR 73 Cb -0.01 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1vhg s TYR 73 CO 0.02 -0.28 0.15 -1.83 -1.11 0.00 0.00 175.55 172.50 1vhg s GLU 74 N 2.32 3.37 -0.24 -0.62 -1.05 0.81 -4.86 118.70 118.43 1vhg s GLU 74 Ca 0.40 -0.31 -0.07 0.00 -0.15 0.00 0.00 54.97 54.85 1vhg s GLU 74 Cb -0.16 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.43 1vhg s GLU 74 CO 0.12 0.69 0.05 -1.17 0.95 0.00 0.00 175.26 175.90 1vhg s LEU 75 N -1.68 3.35 0.00 1.83 2.96 -0.02 -1.60 118.68 123.52 1vhg s LEU 75 Ca 0.24 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1vhg s LEU 75 Cb -0.12 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1vhg s LEU 75 CO 0.14 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1vhg n GLY 76 N 4.87 1.47 3.85 7.98 0.00 -0.71 -3.49 105.19 119.15 1vhg n GLY 76 Ca -0.17 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1vhg n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vhg s PHE 77 N -2.83 3.52 0.14 1.61 0.40 -1.26 -1.06 117.98 118.50 1vhg s PHE 77 Ca 0.00 1.09 -0.31 0.00 -0.60 0.00 0.00 56.93 57.11 1vhg s PHE 77 Cb 0.00 -2.41 -0.10 0.00 0.51 0.00 0.00 43.02 41.02 1vhg s PHE 77 CO 0.00 0.31 1.71 0.45 0.70 0.00 0.00 175.22 178.39 1vhg s SER 78 N -1.98 6.49 0.10 1.36 0.15 -1.22 -4.86 113.70 113.73 1vhg s SER 78 Ca 0.44 2.69 0.10 0.00 0.70 0.00 0.00 55.95 59.89 1vhg s SER 78 Cb -0.13 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1vhg s SER 78 CO 0.20 -0.93 -0.26 -0.54 1.20 0.00 0.00 173.24 172.91 1vhg s LYS 79 N 2.00 1.48 0.12 5.44 1.02 -1.26 -0.54 119.74 128.00 1vhg s LYS 79 Ca 0.76 -1.23 -0.26 0.00 0.02 0.00 0.00 55.97 55.26 1vhg s LYS 79 Cb -0.45 -1.83 0.07 0.00 -0.52 0.00 0.00 37.83 35.10 1vhg s LYS 79 CO 0.33 0.45 0.88 0.20 -0.92 0.00 0.00 175.35 176.29 1vhg s GLY 80 N -1.75 -0.33 0.18 -3.33 0.00 0.24 -5.02 107.32 97.32 1vhg s GLY 80 Ca 0.12 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1vhg s GLY 80 CO 0.04 0.11 0.72 1.08 0.00 0.00 0.00 173.10 175.05 1vhg s LEU 81 N -2.78 4.46 -0.12 0.66 1.43 -1.26 0.01 118.68 121.08 1vhg s LEU 81 Ca 0.09 1.47 -0.24 0.00 -1.03 0.00 0.00 54.13 54.42 1vhg s LEU 81 Cb -0.02 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1vhg s LEU 81 CO -0.02 0.13 0.75 -0.63 0.23 0.00 0.00 176.35 176.81 1vhg s ILE 82 N -1.33 4.97 0.29 -0.59 1.01 -0.35 -4.82 121.20 120.38 1vhg s ILE 82 Ca 0.38 1.51 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1vhg s ILE 82 Cb -0.19 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1vhg s ILE 82 CO 0.22 0.14 1.02 -1.81 0.00 0.00 0.00 174.94 174.52 1vhg s ASP 83 N 1.00 7.34 -0.08 3.58 1.01 -1.26 -4.63 116.67 123.64 1vhg s ASP 83 Ca 0.37 2.08 -0.39 0.00 0.71 0.00 0.00 52.55 55.33 1vhg s ASP 83 Cb -0.17 -2.61 -0.17 0.00 1.01 0.00 0.00 42.92 40.98 1vhg s ASP 83 CO 0.15 -0.07 1.47 -2.65 0.21 0.00 0.00 175.17 174.28 1vhg n PRO 84 N 1.06 1.00 0.00 8.23 -0.02 -1.26 -0.23 135.00 143.78 1vhg n PRO 84 Ca -0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1vhg n PRO 84 Cb 0.47 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1vhg n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vhg n GLY 85 N 3.10 3.31 3.82 -1.23 0.00 -1.26 -5.05 105.19 107.88 1vhg n GLY 85 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1vhg n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhg s GLU 86 N -0.66 4.21 0.54 1.61 2.02 0.68 -5.08 118.70 122.02 1vhg s GLU 86 Ca 0.00 0.97 -0.02 0.00 0.02 0.00 0.00 54.97 55.94 1vhg s GLU 86 Cb 0.00 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1vhg s GLU 86 CO 0.00 0.14 0.80 -1.54 0.02 0.00 0.00 175.26 174.68 1vhg s SER 87 N -2.06 5.50 0.31 -0.19 1.04 -1.26 -4.83 113.70 112.22 1vhg s SER 87 Ca 0.55 0.34 0.04 0.00 0.48 0.00 0.00 55.95 57.36 1vhg s SER 87 Cb -0.12 -1.35 0.63 0.00 0.10 0.00 0.00 66.02 65.28 1vhg s SER 87 CO 0.17 -1.02 1.88 -0.37 0.98 0.00 0.00 173.24 174.88 1vhg h VAL 88 N 0.04 0.95 -0.31 5.02 -1.51 -1.99 -0.25 116.25 118.20 1vhg h VAL 88 Ca -0.45 -0.31 -0.07 0.00 -1.23 0.00 0.00 66.70 64.64 1vhg h VAL 88 Cb 1.27 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1vhg h VAL 88 CO 0.57 0.17 -0.08 1.88 -1.23 0.00 0.00 177.57 178.88 1vhg h TYR 89 N 0.91 0.68 0.29 5.19 0.05 -1.95 -0.82 116.97 121.31 1vhg h TYR 89 Ca 0.44 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 1vhg h TYR 89 Cb 0.44 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1vhg h TYR 89 CO -0.00 0.79 -0.14 0.93 -1.05 0.00 0.00 178.16 178.68 1vhg h GLU 90 N 0.37 -0.38 -0.65 4.88 5.08 -1.60 -1.59 114.58 120.70 1vhg h GLU 90 Ca 0.08 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1vhg h GLU 90 Cb 0.57 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1vhg h GLU 90 CO 0.03 -0.24 0.40 0.00 -1.00 0.00 0.00 179.01 178.21 1vhg h ALA 91 N 0.30 0.84 -0.78 3.43 0.00 -1.13 -1.19 119.26 120.74 1vhg h ALA 91 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vhg h ALA 91 Cb 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1vhg h ALA 91 CO 0.07 0.16 0.44 0.00 0.00 0.00 0.00 179.25 179.92 1vhg h ALA 92 N 1.28 0.99 -0.34 0.00 0.00 -1.00 -1.02 119.26 119.17 1vhg h ALA 92 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1vhg h ALA 92 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1vhg h ALA 92 CO -0.10 0.48 -0.26 -0.97 0.00 0.00 0.00 179.25 178.40 1vhg h ASN 93 N 1.07 0.70 -0.10 0.00 -1.24 -0.80 -1.63 115.58 113.58 1vhg h ASN 93 Ca 0.28 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1vhg h ASN 93 Cb 0.00 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 1vhg h ASN 93 CO -0.05 0.94 -0.02 -0.09 -1.29 0.00 0.00 177.43 176.92 1vhg h ARG 94 N 0.60 0.19 -0.35 6.67 2.43 -0.80 -2.81 114.38 120.30 1vhg h ARG 94 Ca 0.08 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1vhg h ARG 94 Cb 0.76 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1vhg h ARG 94 CO 0.06 0.50 -0.19 0.93 -1.51 0.00 0.00 179.97 179.76 1vhg h GLU 95 N -0.13 0.66 -0.64 0.20 4.39 -1.21 -2.09 114.58 115.76 1vhg h GLU 95 Ca 0.03 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1vhg h GLU 95 Cb 0.43 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1vhg h GLU 95 CO 0.01 0.81 0.36 1.25 -1.16 0.00 0.00 179.01 180.28 1vhg h LEU 96 N 0.59 0.80 -0.92 1.33 6.46 -1.28 -2.13 115.31 120.15 1vhg h LEU 96 Ca 0.09 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1vhg h LEU 96 Cb 0.65 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1vhg h LEU 96 CO 0.05 0.65 0.44 0.11 -0.62 0.00 0.00 178.44 179.07 1vhg h LYS 97 N 0.87 1.21 0.11 1.25 1.57 -0.99 0.12 116.57 120.72 1vhg h LYS 97 Ca 0.23 -0.16 -0.27 0.00 -1.87 0.00 0.00 60.65 58.58 1vhg h LYS 97 Cb 0.03 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.11 1vhg h LYS 97 CO -0.04 0.91 -1.20 0.93 -0.57 0.00 0.00 179.45 179.48 1vhg h GLU 98 N 1.21 0.32 0.06 3.15 5.08 -1.23 -2.62 114.58 120.55 1vhg h GLU 98 Ca 0.30 -0.50 -0.38 0.00 -1.00 0.00 0.00 59.36 57.79 1vhg h GLU 98 Cb 0.07 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1vhg h GLU 98 CO -0.04 1.21 -2.23 0.39 -1.00 0.00 0.00 179.01 177.34 1vhg n GLU 99 N -3.59 0.70 -0.01 2.33 1.02 -0.81 -4.12 120.64 116.16 1vhg n GLU 99 Ca -0.09 0.21 0.09 0.00 -0.02 0.00 0.00 57.16 57.35 1vhg n GLU 99 Cb 0.99 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 30.66 1vhg n GLU 99 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vhg n VAL 100 N -3.39 0.00 -0.76 2.62 0.31 0.37 -4.81 118.33 112.67 1vhg n VAL 100 Ca -0.39 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1vhg n VAL 100 Cb 1.01 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 1vhg n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vhg n GLY 101 N 1.51 0.55 3.26 2.92 0.00 -0.87 -4.97 105.19 107.58 1vhg n GLY 101 Ca -0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1vhg n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vhg s PHE 102 N -2.00 1.31 0.27 1.61 0.08 -1.17 -1.22 117.98 116.86 1vhg s PHE 102 Ca 0.00 -0.73 0.12 0.00 0.12 0.00 0.00 56.93 56.44 1vhg s PHE 102 Cb 0.00 -0.66 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1vhg s PHE 102 CO 0.00 0.11 -0.17 0.20 -0.10 0.00 0.00 175.22 175.26 1vhg s GLY 103 N -3.14 1.85 0.01 4.36 0.00 0.59 -1.49 107.32 109.50 1vhg s GLY 103 Ca 0.17 -1.83 0.06 0.00 0.00 0.00 0.00 44.72 43.12 1vhg s GLY 103 CO 0.01 -1.92 -0.19 0.00 0.00 0.00 0.00 173.10 171.00 1vhg s ALA 104 N -2.44 1.62 -0.19 3.20 0.00 -1.26 -1.46 121.76 121.22 1vhg s ALA 104 Ca 0.30 -0.92 0.21 0.00 0.00 0.00 0.00 51.96 51.55 1vhg s ALA 104 Cb -0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1vhg s ALA 104 CO 0.15 0.38 0.94 0.09 0.00 0.00 0.00 175.76 177.32 1vhg n ASN 105 N 2.23 0.78 -4.01 0.00 3.02 0.36 -4.71 115.26 112.94 1vhg n ASN 105 Ca -0.16 0.31 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 1vhg n ASN 105 Cb 0.53 0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 40.07 1vhg n ASN 105 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vhg s ASP 106 N -5.39 4.66 -0.23 6.41 3.68 -0.83 -5.02 116.67 119.95 1vhg s ASP 106 Ca -0.02 -2.49 -0.04 0.00 2.13 0.00 0.00 52.55 52.14 1vhg s ASP 106 Cb 0.10 -1.66 -0.01 0.00 -1.45 0.00 0.00 42.92 39.90 1vhg s ASP 106 CO 0.80 -0.34 -0.04 -0.76 0.13 0.00 0.00 175.17 174.97 1vhg s LEU 107 N 0.45 2.97 -0.10 -1.34 1.43 -1.26 -0.03 118.68 120.80 1vhg s LEU 107 Ca 0.13 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1vhg s LEU 107 Cb -0.22 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1vhg s LEU 107 CO -0.05 -0.03 -0.17 0.28 0.23 0.00 0.00 176.35 176.61 1vhg s THR 108 N 1.48 2.72 -0.41 5.49 -1.32 -0.70 -4.96 115.64 117.94 1vhg s THR 108 Ca 0.05 -0.80 -0.22 0.00 -1.21 0.00 0.00 61.69 59.51 1vhg s THR 108 Cb -0.15 -2.09 0.02 0.00 -1.51 0.00 0.00 72.50 68.77 1vhg s THR 108 CO -0.03 0.55 0.71 0.12 -2.21 0.00 0.00 174.62 173.76 1vhg s PHE 109 N 0.04 3.07 -0.10 9.09 5.99 -1.26 -0.97 117.98 133.84 1vhg s PHE 109 Ca -0.06 0.23 0.06 0.00 0.00 0.00 0.00 56.93 57.15 1vhg s PHE 109 Cb -0.15 -3.39 -0.24 0.00 0.00 0.00 0.00 43.02 39.24 1vhg s PHE 109 CO 0.05 -0.81 0.45 -0.11 -0.00 0.00 0.00 175.22 174.79 1vhg n LEU 110 N 6.37 1.51 -3.59 6.12 7.94 -0.12 -5.02 117.00 130.21 1vhg n LEU 110 Ca 0.00 0.27 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 1vhg n LEU 110 Cb 0.48 -0.29 -0.02 0.00 0.53 0.00 0.00 43.42 44.11 1vhg n LEU 110 CO 0.54 0.59 0.98 -0.75 -1.11 0.00 0.00 177.39 177.64 1vhg s LYS 111 N -2.57 0.34 -0.15 1.96 2.47 -1.20 -5.00 119.74 115.60 1vhg s LYS 111 Ca -0.13 -0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.17 1vhg s LYS 111 Cb 0.07 0.16 0.02 0.00 -1.46 0.00 0.00 37.83 36.63 1vhg s LYS 111 CO 0.79 -0.15 -0.13 0.21 0.16 0.00 0.00 175.35 176.24 1vhg s LYS 112 N -2.33 2.17 -0.04 4.03 2.20 -1.26 -1.16 119.74 123.36 1vhg s LYS 112 Ca 0.08 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1vhg s LYS 112 Cb -0.01 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1vhg s LYS 112 CO -0.05 -0.25 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.06 1vhg s LEU 113 N 1.52 2.86 0.00 5.43 1.02 -1.26 -5.02 118.68 123.23 1vhg s LEU 113 Ca 0.05 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1vhg s LEU 113 Cb -0.13 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.47 1vhg s LEU 113 CO -0.10 0.33 0.00 -1.20 0.02 0.00 0.00 176.35 175.40 1vhg n SER 114 N 2.11 0.00 -2.78 2.29 7.64 -1.26 -4.48 113.62 117.14 1vhg n SER 114 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1vhg n SER 114 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1vhg n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vhg n ALA 116 N -3.00 0.09 0.25 -0.43 0.00 -1.26 -5.00 120.51 111.16 1vhg n ALA 116 Ca 0.00 -0.44 0.15 0.00 0.00 0.00 0.00 53.44 53.15 1vhg n ALA 116 Cb 0.00 -0.09 0.77 0.00 0.00 0.00 0.00 19.45 20.13 1vhg n ALA 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1vhg h PRO 117 N 5.22 0.00 -0.40 0.00 0.11 -1.96 0.29 132.00 135.26 1vhg h PRO 117 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1vhg h PRO 117 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1vhg h PRO 117 CO 0.44 0.00 -0.10 0.77 -0.21 0.00 0.00 178.00 178.89 1vhg h SER 118 N 0.00 0.69 0.00 -2.05 0.02 -2.03 -3.34 113.55 106.84 1vhg h SER 118 Ca 0.00 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1vhg h SER 118 Cb 0.08 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1vhg h SER 118 CO 0.00 0.83 -1.14 -1.22 -1.14 0.00 0.00 176.83 174.16 1vhg n TYR 119 N -4.18 0.00 -4.58 3.45 4.01 -0.89 -4.84 117.16 110.13 1vhg n TYR 119 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 1vhg n TYR 119 Cb 0.35 -0.07 -0.11 0.00 -0.31 0.00 0.00 39.34 39.20 1vhg n TYR 119 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1vhg s PHE 120 N -2.20 2.45 -0.01 -0.72 0.40 0.96 -4.78 117.98 114.08 1vhg s PHE 120 Ca -0.01 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 1vhg s PHE 120 Cb 0.02 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 42.00 1vhg s PHE 120 CO 0.12 0.50 0.97 -1.13 0.70 0.00 0.00 175.22 176.39 1vhg n SER 121 N -0.88 0.28 -4.78 1.36 3.41 -1.26 -3.89 113.62 107.86 1vhg n SER 121 Ca -0.05 -2.03 -0.37 0.00 -0.26 0.00 0.00 58.87 56.16 1vhg n SER 121 Cb 0.65 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1vhg n SER 121 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vhg s SER 122 N -1.11 6.98 0.00 4.04 0.15 -1.26 -4.79 113.70 117.70 1vhg s SER 122 Ca 0.03 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.71 1vhg s SER 122 Cb 0.03 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1vhg s SER 122 CO 0.00 -0.34 0.00 0.29 1.20 0.00 0.00 173.24 174.40 1vhg n LYS 123 N 0.28 3.55 -3.63 5.44 4.76 -1.26 -4.56 118.16 122.74 1vhg n LYS 123 Ca 0.03 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.43 1vhg n LYS 123 Cb 0.49 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.62 1vhg n LYS 123 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1vhg s ASN 125 N 0.08 -0.90 -0.28 4.39 0.01 0.12 -0.26 114.94 118.10 1vhg s ASN 125 Ca 0.00 1.38 -0.10 0.00 -0.71 0.00 0.00 52.86 53.43 1vhg s ASN 125 Cb 0.00 1.55 -0.04 0.00 0.41 0.00 0.00 41.25 43.17 1vhg s ASN 125 CO 0.00 -0.21 0.17 -0.63 -1.51 0.00 0.00 177.10 174.92 1vhg s ILE 126 N 1.88 5.08 -0.08 0.60 1.01 -0.31 -4.24 121.20 125.14 1vhg s ILE 126 Ca -0.09 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1vhg s ILE 126 Cb -0.06 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 1vhg s ILE 126 CO -0.19 0.23 -0.23 -0.69 0.00 0.00 0.00 174.94 174.06 1vhg s VAL 127 N 1.72 1.96 -0.14 2.92 1.01 -1.26 -0.94 120.40 125.67 1vhg s VAL 127 Ca 0.07 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 1vhg s VAL 127 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1vhg s VAL 127 CO 0.09 0.54 0.46 -0.69 0.00 0.00 0.00 175.10 175.50 1vhg s VAL 128 N 0.19 5.19 -0.24 2.92 1.01 -0.15 -0.94 120.40 128.39 1vhg s VAL 128 Ca -0.13 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 1vhg s VAL 128 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1vhg s VAL 128 CO 0.07 0.30 0.07 0.00 0.00 0.00 0.00 175.10 175.54 1vhg s ALA 129 N 0.81 3.19 0.36 5.51 0.00 0.13 -1.73 121.76 130.04 1vhg s ALA 129 Ca 0.24 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1vhg s ALA 129 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1vhg s ALA 129 CO 0.09 -0.38 0.07 -0.65 0.00 0.00 0.00 175.76 174.89 1vhg s GLN 130 N 1.42 1.78 -0.79 0.00 -0.21 0.96 -1.17 119.66 121.64 1vhg s GLN 130 Ca 0.05 -2.03 -0.00 0.00 0.02 0.00 0.00 55.36 53.40 1vhg s GLN 130 Cb -0.15 -0.87 0.00 0.00 1.00 0.00 0.00 33.01 32.99 1vhg s GLN 130 CO 0.04 -0.27 0.64 -3.47 -2.12 0.00 0.00 175.29 170.11 1vhg n ASP 131 N -0.90 -6.10 -4.85 5.90 2.03 -1.26 -1.97 116.55 109.39 1vhg n ASP 131 Ca -0.04 -0.58 -0.32 0.00 0.52 0.00 0.00 54.79 54.37 1vhg n ASP 131 Cb 0.66 -3.21 -0.05 0.00 -0.72 0.00 0.00 41.12 37.80 1vhg n ASP 131 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1vhg s LEU 132 N -4.53 3.96 -0.04 -2.67 1.43 -1.26 -0.48 118.68 115.09 1vhg s LEU 132 Ca 0.00 1.32 -0.04 0.00 -1.03 0.00 0.00 54.13 54.39 1vhg s LEU 132 Cb -0.00 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 42.07 1vhg s LEU 132 CO 0.83 -0.30 0.10 -0.72 0.23 0.00 0.00 176.35 176.50 1vhg s TYR 133 N -2.15 -0.10 0.24 0.29 -0.85 -0.54 -4.96 117.35 109.28 1vhg s TYR 133 Ca 0.55 0.25 -0.31 0.00 -0.52 0.00 0.00 57.07 57.04 1vhg s TYR 133 Cb -0.10 0.03 -0.11 0.00 0.38 0.00 0.00 41.96 42.16 1vhg s TYR 133 CO 0.21 -0.07 1.58 -2.14 -1.52 0.00 0.00 175.55 173.61 1vhg s PRO 134 N -0.04 4.18 -0.30 -3.49 0.02 -1.26 -0.30 135.00 133.81 1vhg s PRO 134 Ca -0.01 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.32 1vhg s PRO 134 Cb -0.01 -3.08 0.19 0.00 0.02 0.00 0.00 34.50 31.61 1vhg s PRO 134 CO 0.00 -0.60 1.16 -2.00 -0.33 0.00 0.00 177.00 175.23 1vhg s GLU 135 N 0.24 0.16 0.07 5.54 2.12 -0.35 -4.78 118.70 121.68 1vhg s GLU 135 Ca 0.66 0.28 0.08 0.00 0.36 0.00 0.00 54.97 56.36 1vhg s GLU 135 Cb -0.46 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 33.94 1vhg s GLU 135 CO 0.40 -0.03 -0.20 -1.12 -0.54 0.00 0.00 175.26 173.76 1vhg s SER 136 N 1.20 3.68 0.06 -1.70 0.01 -1.26 -3.06 113.70 112.63 1vhg s SER 136 Ca -0.08 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.72 1vhg s SER 136 Cb -0.03 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 1vhg s SER 136 CO -0.12 0.23 -0.13 -0.76 0.41 0.00 0.00 173.24 172.87 1vhg s LEU 137 N -1.61 2.24 -0.33 2.44 1.02 -1.00 -4.96 118.68 116.47 1vhg s LEU 137 Ca 0.15 -0.55 -0.29 0.00 0.02 0.00 0.00 54.13 53.45 1vhg s LEU 137 Cb -0.10 -0.51 0.01 0.00 0.02 0.00 0.00 46.19 45.61 1vhg s LEU 137 CO 0.06 -0.05 1.17 -1.83 0.02 0.00 0.00 176.35 175.72 1vhg s GLU 138 N -1.51 3.96 0.00 1.70 1.03 -1.26 -4.16 118.70 118.46 1vhg s GLU 138 Ca -0.01 1.07 0.00 0.00 0.03 0.00 0.00 54.97 56.06 1vhg s GLU 138 Cb -0.09 -3.82 0.00 0.00 -0.80 0.00 0.00 34.13 29.42 1vhg s GLU 138 CO 0.02 -1.05 0.00 0.41 -1.33 0.00 0.00 175.26 173.30 1vhg n GLY 139 N 4.18 0.37 0.43 -3.83 0.00 -1.26 -4.98 105.19 100.11 1vhg n GLY 139 Ca 0.13 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1vhg n GLY 139 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vhg n ASP 140 N -1.39 2.76 -4.73 1.61 9.92 -1.26 -5.05 116.55 118.41 1vhg n ASP 140 Ca 0.00 -3.18 -0.42 0.00 -0.53 0.00 0.00 54.79 50.66 1vhg n ASP 140 Cb 0.00 -0.49 -0.02 0.00 -0.64 0.00 0.00 41.12 39.97 1vhg n ASP 140 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1vhg n GLU 141 N -1.12 2.69 0.23 -1.24 0.00 -1.26 -4.91 120.64 115.03 1vhg n GLU 141 Ca 0.19 0.96 0.11 0.00 0.00 0.00 0.00 57.16 58.42 1vhg n GLU 141 Cb 0.75 -2.76 0.45 0.00 0.00 0.00 0.00 31.44 29.88 1vhg n GLU 141 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1vhg h PRO 142 N 5.34 0.00 -3.45 3.44 0.13 -2.04 -3.45 132.00 131.97 1vhg h PRO 142 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1vhg h PRO 142 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1vhg h PRO 142 CO 0.84 0.19 -0.20 -1.83 -0.23 0.00 0.00 178.00 176.77 1vhg s GLU 143 N -3.59 0.93 0.61 0.86 -1.05 -1.26 -5.15 118.70 110.04 1vhg s GLU 143 Ca 0.01 -0.70 -0.19 0.00 -0.15 0.00 0.00 54.97 53.95 1vhg s GLU 143 Cb 0.10 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 1vhg s GLU 143 CO 0.63 -0.33 1.24 -2.14 0.95 0.00 0.00 175.26 175.62 1vhg s PRO 144 N -3.39 2.85 -0.59 -4.83 0.02 -1.26 -5.00 135.00 122.80 1vhg s PRO 144 Ca 0.01 1.92 -0.12 0.00 0.02 0.00 0.00 61.00 62.83 1vhg s PRO 144 Cb 0.02 -1.92 0.15 0.00 0.02 0.00 0.00 34.50 32.77 1vhg s PRO 144 CO -0.09 -1.33 0.51 -0.51 -0.33 0.00 0.00 177.00 175.26 1vhg s LEU 145 N -4.13 6.09 0.18 -5.54 1.43 -1.26 -5.01 118.68 110.44 1vhg s LEU 145 Ca 0.79 -2.14 -0.33 0.00 -1.03 0.00 0.00 54.13 51.42 1vhg s LEU 145 Cb -0.33 -2.12 -0.15 0.00 0.03 0.00 0.00 46.19 43.62 1vhg s LEU 145 CO 0.36 -0.70 1.29 -2.65 0.23 0.00 0.00 176.35 174.88 1vhg n PRO 146 N 4.69 1.50 -3.84 1.29 -0.02 -1.25 -4.67 135.00 132.70 1vhg n PRO 146 Ca -0.04 0.54 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 1vhg n PRO 146 Cb 0.42 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1vhg n PRO 146 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1vhg s GLN 147 N -0.15 3.50 -0.08 -0.52 -0.21 -1.26 -0.72 119.66 120.22 1vhg s GLN 147 Ca 0.74 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.81 1vhg s GLN 147 Cb -0.79 -2.99 0.03 0.00 1.00 0.00 0.00 33.01 30.26 1vhg s GLN 147 CO 0.49 0.57 -0.03 0.08 -2.12 0.00 0.00 175.29 174.28 1vhg s VAL 148 N -1.53 0.60 -0.35 1.09 1.01 0.64 -4.94 120.40 116.91 1vhg s VAL 148 Ca 0.36 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 1vhg s VAL 148 Cb -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1vhg s VAL 148 CO 0.26 0.28 0.66 -0.13 0.00 0.00 0.00 175.10 176.18 1vhg s ARG 149 N 1.66 3.73 -0.21 2.72 0.52 -1.26 -0.43 118.95 125.67 1vhg s ARG 149 Ca 0.01 0.14 -0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1vhg s ARG 149 Cb -0.13 -3.80 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 1vhg s ARG 149 CO -0.05 -0.73 -0.06 -0.46 0.02 0.00 0.00 175.30 174.02 1vhg s TRP 150 N 2.77 2.94 0.26 -0.53 -0.11 -0.01 -4.87 118.94 119.39 1vhg s TRP 150 Ca 0.26 -1.01 -0.31 0.00 1.22 0.00 0.00 56.10 56.26 1vhg s TRP 150 Cb -0.14 -2.08 -0.13 0.00 -1.50 0.00 0.00 33.47 29.62 1vhg s TRP 150 CO 0.15 -0.57 1.51 -0.35 -4.62 0.00 0.00 176.95 173.06 1vhg n PRO 151 N 4.76 2.36 -0.00 5.86 -0.04 -1.26 0.94 135.00 147.63 1vhg n PRO 151 Ca -0.18 0.84 0.01 0.00 -0.04 0.00 0.00 63.50 64.12 1vhg n PRO 151 Cb 0.51 -2.56 0.32 0.00 -0.04 0.00 0.00 33.50 31.73 1vhg n PRO 151 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vhg h LEU 152 N 4.60 0.49 -2.02 1.53 3.38 -0.10 -2.08 115.31 121.11 1vhg h LEU 152 Ca -0.46 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1vhg h LEU 152 Cb 1.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1vhg h LEU 152 CO 0.78 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.83 1vhg h ALA 153 N 1.56 1.00 -2.41 1.53 0.00 -1.81 -3.50 119.26 115.63 1vhg h ALA 153 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.54 1vhg h ALA 153 Cb 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.88 1vhg h ALA 153 CO 0.00 0.00 -0.75 -1.01 0.00 0.00 0.00 179.25 177.49 1vhg s HIS 154 N -3.81 1.83 0.00 0.00 3.76 -0.78 -5.20 115.29 111.08 1vhg s HIS 154 Ca -0.02 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 1vhg s HIS 154 Cb 0.10 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.94 1vhg s HIS 154 CO 0.40 0.41 0.00 -0.25 -0.85 0.00 0.00 174.74 174.45 1vhg n ASP 157 N -0.23 0.00 0.06 1.40 9.92 -1.26 -4.92 116.55 121.52 1vhg n ASP 157 Ca -0.09 0.00 0.18 0.00 -0.53 0.00 0.00 54.79 54.35 1vhg n ASP 157 Cb 0.59 0.00 0.70 0.00 -0.64 0.00 0.00 41.12 41.77 1vhg n ASP 157 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1vhg h LEU 158 N 0.00 0.00 0.00 0.64 3.38 -1.99 -0.44 115.31 116.91 1vhg h LEU 158 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vhg h LEU 158 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vhg h LEU 158 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1vhg n LEU 159 N -4.32 0.00 -0.90 1.67 4.32 -1.26 -1.46 117.00 115.04 1vhg n LEU 159 Ca 0.07 0.22 0.12 0.00 -0.02 0.00 0.00 56.01 56.39 1vhg n LEU 159 Cb 0.51 -0.22 0.09 0.00 -1.62 0.00 0.00 43.42 42.18 1vhg n LEU 159 CO 0.35 -0.14 0.60 -0.62 -1.22 0.00 0.00 177.39 176.37 1vhg n GLU 160 N -1.22 2.17 -3.76 3.23 -0.58 -0.17 -4.82 120.64 115.49 1vhg n GLU 160 Ca 0.06 -1.83 -0.37 0.00 -0.42 0.00 0.00 57.16 54.60 1vhg n GLU 160 Cb 0.08 -1.45 -0.12 0.00 -0.57 0.00 0.00 31.44 29.38 1vhg n GLU 160 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1vhg s ASP 161 N -1.98 5.27 0.66 1.62 3.68 -0.53 -4.96 116.67 120.43 1vhg s ASP 161 Ca 0.27 -1.49 0.38 0.00 2.13 0.00 0.00 52.55 53.84 1vhg s ASP 161 Cb 0.19 -1.85 2.08 0.00 -1.45 0.00 0.00 42.92 41.89 1vhg s ASP 161 CO 0.31 -0.42 2.18 1.55 0.13 0.00 0.00 175.17 178.93 1vhg h PRO 162 N 8.17 0.00 0.00 4.34 0.13 -1.88 0.96 132.00 143.72 1vhg h PRO 162 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1vhg h PRO 162 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1vhg h PRO 162 CO 0.65 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.98 1vhg h ASP 163 N 0.00 0.00 0.12 1.44 3.45 -1.90 -3.24 116.42 116.29 1vhg h ASP 163 Ca 0.01 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.15 1vhg h ASP 163 Cb 0.29 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.00 1vhg h ASP 163 CO -0.00 0.00 -2.19 0.33 -1.57 0.00 0.00 179.24 175.81 1vhg n PHE 164 N -2.93 0.22 -0.51 4.55 -0.00 0.32 -0.84 117.46 118.26 1vhg n PHE 164 Ca 0.02 0.08 -0.26 0.00 -0.00 0.00 0.00 57.45 57.29 1vhg n PHE 164 Cb 0.35 -0.99 -0.05 0.00 -0.00 0.00 0.00 39.48 38.79 1vhg n PHE 164 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1vhg n ASN 165 N -2.76 1.72 -4.48 -2.13 3.02 -1.13 -4.57 115.26 104.92 1vhg n ASN 165 Ca -0.27 -2.34 -0.32 0.00 -0.03 0.00 0.00 54.58 51.62 1vhg n ASN 165 Cb 1.07 -0.73 -0.13 0.00 -0.61 0.00 0.00 39.78 39.38 1vhg n ASN 165 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1vhg s GLU 166 N 5.29 2.41 0.38 3.52 -6.30 -1.26 -5.00 118.70 117.73 1vhg s GLU 166 Ca 0.39 -0.76 0.12 0.00 -2.50 0.00 0.00 54.97 52.22 1vhg s GLU 166 Cb 0.09 -2.34 0.93 0.00 0.00 0.00 0.00 34.13 32.81 1vhg s GLU 166 CO 0.12 0.60 1.86 0.00 0.02 0.00 0.00 175.26 177.86 1vhg h ALA 167 N 5.12 1.98 0.10 6.30 0.00 -1.99 -1.76 119.26 129.00 1vhg h ALA 167 Ca -0.47 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1vhg h ALA 167 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1vhg h ALA 167 CO 0.50 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 1vhg h ARG 168 N 0.57 -0.13 -0.14 0.00 3.08 -1.96 -0.79 114.38 115.01 1vhg h ARG 168 Ca 0.46 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.56 1vhg h ARG 168 Cb 0.91 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1vhg h ARG 168 CO -0.21 0.22 -0.08 -0.91 -1.07 0.00 0.00 179.97 177.93 1vhg h ASN 169 N -0.51 -0.26 -0.97 7.04 2.35 -1.73 -0.82 115.58 120.68 1vhg h ASN 169 Ca -0.01 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1vhg h ASN 169 Cb 0.42 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 1vhg h ASN 169 CO 0.02 -0.11 0.60 0.58 -1.65 0.00 0.00 177.43 176.87 1vhg h VAL 170 N -0.07 1.26 -0.24 2.81 2.07 -1.38 0.19 116.25 120.90 1vhg h VAL 170 Ca 0.08 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1vhg h VAL 170 Cb 0.19 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1vhg h VAL 170 CO -0.19 0.27 0.12 0.28 0.02 0.00 0.00 177.57 178.07 1vhg h SER 171 N 1.33 0.30 -0.58 0.57 0.02 -0.72 -2.36 113.55 112.11 1vhg h SER 171 Ca 0.35 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1vhg h SER 171 Cb -0.08 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1vhg h SER 171 CO -0.07 0.32 0.15 0.00 -1.14 0.00 0.00 176.83 176.09 1vhg h ALA 172 N 1.00 1.10 -0.55 3.77 0.00 -0.66 -1.50 119.26 122.41 1vhg h ALA 172 Ca 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1vhg h ALA 172 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1vhg h ALA 172 CO -0.01 0.60 0.20 1.25 0.00 0.00 0.00 179.25 181.29 1vhg h LEU 173 N 0.92 0.78 -0.47 0.00 5.85 -0.47 0.45 115.31 122.38 1vhg h LEU 173 Ca 0.20 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 1vhg h LEU 173 Cb 0.33 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1vhg h LEU 173 CO 0.00 0.76 -0.57 -0.26 -0.34 0.00 0.00 178.44 178.03 1vhg h PHE 174 N 0.76 0.75 -0.19 1.25 -1.00 -1.30 -2.27 116.94 114.96 1vhg h PHE 174 Ca 0.18 -0.27 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 1vhg h PHE 174 Cb 0.23 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1vhg h PHE 174 CO 0.01 1.03 -0.35 -0.07 -1.61 0.00 0.00 178.31 177.32 1vhg h LEU 175 N 0.45 0.41 -0.22 1.54 3.38 -1.00 -0.86 115.31 119.01 1vhg h LEU 175 Ca 0.00 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.60 1vhg h LEU 175 Cb 1.13 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1vhg h LEU 175 CO 0.11 0.73 -0.74 0.58 0.09 0.00 0.00 178.44 179.22 1vhg h VAL 176 N 0.34 1.29 -0.48 1.22 2.07 -0.88 -2.18 116.25 117.62 1vhg h VAL 176 Ca 0.04 -1.96 -0.06 0.00 0.82 0.00 0.00 66.70 65.54 1vhg h VAL 176 Cb 0.78 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1vhg h VAL 176 CO 0.06 0.62 0.05 -0.09 0.02 0.00 0.00 177.57 178.23 1vhg h ARG 177 N 0.52 0.81 -0.48 1.57 2.43 -1.17 0.29 114.38 118.35 1vhg h ARG 177 Ca -0.04 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1vhg h ARG 177 Cb 1.35 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1vhg h ARG 177 CO 0.15 0.83 0.30 0.93 -1.51 0.00 0.00 179.97 180.67 1vhg h GLU 178 N 0.68 0.59 -0.48 0.20 4.39 -1.09 0.15 114.58 119.02 1vhg h GLU 178 Ca 0.14 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1vhg h GLU 178 Cb 0.43 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1vhg h GLU 178 CO 0.01 0.39 0.30 2.35 -1.16 0.00 0.00 179.01 180.90 1vhg h TRP 179 N 0.61 0.55 -0.70 4.33 7.01 -1.05 -1.58 115.95 125.12 1vhg h TRP 179 Ca 0.19 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 1vhg h TRP 179 Cb -0.02 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 1vhg h TRP 179 CO -0.06 0.33 0.33 -0.07 -2.79 0.00 0.00 178.44 176.18 1vhg h LEU 180 N 0.59 0.91 -0.46 0.65 4.07 0.41 -2.08 115.31 119.39 1vhg h LEU 180 Ca 0.19 -0.10 0.04 0.00 0.08 0.00 0.00 57.88 58.09 1vhg h LEU 180 Cb -0.01 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1vhg h LEU 180 CO -0.07 0.77 0.22 0.11 -1.08 0.00 0.00 178.44 178.38 1vhg h LYS 181 N 1.00 0.42 -1.00 1.13 6.56 -0.25 -0.50 116.57 123.92 1vhg h LYS 181 Ca 0.24 -0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.95 1vhg h LYS 181 Cb 0.11 -0.09 -0.15 0.00 -0.57 0.00 0.00 32.23 31.52 1vhg h LYS 181 CO -0.03 0.27 -0.43 0.78 -2.06 0.00 0.00 179.45 177.98 1vhg h GLY 182 N 0.43 -0.11 -3.53 3.86 0.00 -0.56 0.14 103.07 103.29 1vhg h GLY 182 Ca 0.21 0.58 -0.31 0.00 0.00 0.00 0.00 47.33 47.80 1vhg h GLY 182 CO -0.16 -0.15 0.36 0.61 0.00 0.00 0.00 176.54 177.19 1vhg n GLN 183 N -5.43 2.98 -3.48 4.80 10.64 -1.05 -4.96 117.38 120.88 1vhg n GLN 183 Ca 0.09 -3.07 -0.25 0.00 -1.83 0.00 0.00 57.00 51.94 1vhg n GLN 183 Cb 0.37 -2.15 0.00 0.00 -0.86 0.00 0.00 30.24 27.61 1vhg n GLN 183 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1vhg n GLY 184 N -0.63 -0.49 0.97 2.61 0.00 0.48 -4.86 105.19 103.27 1vhg n GLY 184 Ca 0.46 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.72 1vhg n GLY 184 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vhg n ARG 185 N -3.98 2.31 0.00 1.61 1.85 -0.27 -4.99 116.66 113.19 1vhg n ARG 185 Ca -0.01 -1.94 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 1vhg n ARG 185 Cb 0.54 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1vhg n ARG 185 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90