#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 1.26 0.74 4.33 -0.14 -1.26 -5.13 119.74 119.54 1vhg s LYS 3 Ca 0.00 -1.29 -0.12 0.00 -1.36 0.00 0.00 55.97 53.20 1vhg s LYS 3 Cb 0.00 -1.54 0.04 0.00 -1.68 0.00 0.00 37.83 34.65 1vhg s LYS 3 CO 0.00 0.35 1.09 -1.12 -0.76 0.00 0.00 175.35 174.91 1vhg s SER 4 N -2.17 4.70 0.40 2.83 0.01 -1.26 -4.99 113.70 113.22 1vhg s SER 4 Ca 0.11 1.85 -0.27 0.00 1.31 0.00 0.00 55.95 58.96 1vhg s SER 4 Cb -0.09 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 1vhg s SER 4 CO 0.06 -1.91 1.36 -0.76 0.41 0.00 0.00 173.24 172.40 1vhg s LEU 5 N -5.64 4.25 -0.20 2.44 1.43 -1.26 -5.01 118.68 114.69 1vhg s LEU 5 Ca 0.62 2.79 -0.02 0.00 -1.03 0.00 0.00 54.13 56.49 1vhg s LEU 5 Cb -0.18 -3.82 0.06 0.00 0.03 0.00 0.00 46.19 42.28 1vhg s LEU 5 CO 0.52 -0.86 0.02 -1.58 0.23 0.00 0.00 176.35 174.68 1vhg s GLN 6 N -2.18 0.85 0.63 1.70 0.74 -1.26 -5.12 119.66 115.02 1vhg s GLN 6 Ca 0.55 -0.52 -0.19 0.00 0.05 0.00 0.00 55.36 55.26 1vhg s GLN 6 Cb -0.41 -2.17 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 1vhg s GLN 6 CO 0.54 -0.62 1.28 1.63 -0.55 0.00 0.00 175.29 177.56 1vhg n LYS 7 N 4.98 1.20 -0.90 1.67 5.02 -1.26 -4.41 118.16 124.45 1vhg n LYS 7 Ca -0.10 0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 1vhg n LYS 7 Cb 0.47 -2.51 0.15 0.00 -0.02 0.00 0.00 35.03 33.11 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 -3.23 1.36 -0.15 1.97 0.04 -1.26 -4.74 135.00 128.99 1vhg s PRO 8 Ca 0.80 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 63.32 1vhg s PRO 8 Cb -0.39 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1vhg s PRO 8 CO 0.42 -2.39 0.18 0.95 0.04 0.00 0.00 177.00 176.21 1vhg s THR 9 N -2.52 5.40 -0.58 1.26 -4.23 0.45 -4.91 115.64 110.51 1vhg s THR 9 Ca 0.68 0.30 -0.28 0.00 -1.18 0.00 0.00 61.69 61.22 1vhg s THR 9 Cb -0.24 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.15 1vhg s THR 9 CO 0.55 0.51 1.17 -0.63 -0.54 0.00 0.00 174.62 175.69 1vhg s ILE 10 N -0.27 4.04 0.01 2.99 1.09 -1.26 -1.63 121.20 126.17 1vhg s ILE 10 Ca 0.13 0.85 -0.25 0.00 -1.10 0.00 0.00 60.65 60.28 1vhg s ILE 10 Cb -0.12 -4.72 -0.19 0.00 -1.06 0.00 0.00 42.46 36.38 1vhg s ILE 10 CO 0.02 -1.33 1.38 -0.07 -0.10 0.00 0.00 174.94 174.84 1vhg h LEU 11 N 11.86 -0.02 -7.00 2.97 3.38 -0.72 -3.47 115.31 122.31 1vhg h LEU 11 Ca -0.25 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1vhg h LEU 11 Cb 1.06 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.58 1vhg h LEU 11 CO 1.18 0.34 0.26 0.21 0.09 0.00 0.00 178.44 180.52 1vhg s ASN 12 N -5.54 -0.63 -0.06 -0.43 2.47 -1.17 -4.97 114.94 104.61 1vhg s ASN 12 Ca -0.15 1.21 0.02 0.00 0.42 0.00 0.00 52.86 54.36 1vhg s ASN 12 Cb 0.03 1.23 -0.03 0.00 -1.45 0.00 0.00 41.25 41.03 1vhg s ASN 12 CO 0.66 -0.21 -0.11 -0.69 -3.72 0.00 0.00 177.10 173.04 1vhg s VAL 13 N 0.35 3.36 -0.19 -5.21 1.01 -1.26 -0.24 120.40 118.22 1vhg s VAL 13 Ca 0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1vhg s VAL 13 Cb -0.05 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1vhg s VAL 13 CO -0.02 0.59 0.46 -0.70 0.00 0.00 0.00 175.10 175.43 1vhg s GLU 14 N -0.70 0.44 0.03 2.72 2.56 -0.57 -4.96 118.70 118.21 1vhg s GLU 14 Ca 0.11 0.90 -0.30 0.00 0.00 0.00 0.00 54.97 55.68 1vhg s GLU 14 Cb -0.11 0.06 -0.07 0.00 2.00 0.00 0.00 34.13 36.01 1vhg s GLU 14 CO 0.01 -0.17 1.65 0.99 -0.56 0.00 0.00 175.26 177.18 1vhg s THR 15 N 1.62 3.25 -0.06 -1.70 2.01 -1.26 -0.44 115.64 119.05 1vhg s THR 15 Ca -0.09 0.57 0.11 0.00 0.31 0.00 0.00 61.69 62.60 1vhg s THR 15 Cb -0.08 -3.37 -0.17 0.00 0.01 0.00 0.00 72.50 68.89 1vhg s THR 15 CO -0.14 -0.02 0.27 0.52 -0.69 0.00 0.00 174.62 174.56 1vhg n VAL 16 N 4.98 0.00 -3.64 3.82 0.31 -0.48 -4.90 118.33 118.43 1vhg n VAL 16 Ca 0.16 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.13 1vhg n VAL 16 Cb 0.41 0.31 -0.07 0.00 -0.91 0.00 0.00 33.84 33.59 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 -2.71 -1.91 -0.06 3.52 0.00 -1.18 -5.01 121.76 114.41 1vhg s ALA 17 Ca -0.03 2.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.91 1vhg s ALA 17 Cb 0.07 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.88 1vhg s ALA 17 CO 0.47 -0.30 0.11 -0.98 0.00 0.00 0.00 175.76 175.05 1vhg s ARG 18 N 0.46 -0.00 0.00 0.00 1.70 -1.26 -0.37 118.95 119.48 1vhg s ARG 18 Ca 0.00 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1vhg s ARG 18 Cb -0.05 -0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.01 1vhg s ARG 18 CO -0.05 -0.26 0.00 -1.13 -1.08 0.00 0.00 175.30 172.78 1vhg n SER 19 N 4.89 0.00 -1.04 -2.89 3.41 0.15 -5.00 113.62 113.15 1vhg n SER 19 Ca -0.13 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 1vhg n SER 19 Cb 0.50 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.63 1vhg n SER 19 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1vhg n ARG 20 N 0.00 2.34 0.00 4.33 0.63 -1.26 -4.38 116.66 118.32 1vhg n ARG 20 Ca 0.00 -2.12 0.00 0.00 -0.92 0.00 0.00 57.85 54.81 1vhg n ARG 20 Cb 0.00 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1vhg n ARG 20 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1vhg n LEU 21 N 1.35 0.00 -4.09 6.15 7.94 -1.26 -5.10 117.00 121.99 1vhg n LEU 21 Ca 0.17 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.77 1vhg n LEU 21 Cb 0.57 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.36 1vhg n LEU 21 CO 0.15 0.00 -0.51 -0.36 -1.11 0.00 0.00 177.39 175.56 1vhg s PHE 22 N 0.00 2.21 -0.28 1.96 0.08 -1.26 -5.09 117.98 115.59 1vhg s PHE 22 Ca 0.00 -1.08 0.01 0.00 0.12 0.00 0.00 56.93 55.98 1vhg s PHE 22 Cb 0.00 -1.56 0.08 0.00 -0.57 0.00 0.00 43.02 40.97 1vhg s PHE 22 CO 0.00 -0.53 0.02 -0.08 -0.10 0.00 0.00 175.22 174.53 1vhg s THR 23 N 0.96 1.52 0.11 0.64 -1.32 -1.26 0.33 115.64 116.62 1vhg s THR 23 Ca -0.06 -1.56 -0.19 0.00 -1.21 0.00 0.00 61.69 58.66 1vhg s THR 23 Cb -0.15 -1.98 -0.07 0.00 -1.51 0.00 0.00 72.50 68.79 1vhg s THR 23 CO -0.02 -0.41 0.60 0.54 -2.21 0.00 0.00 174.62 173.12 1vhg s VAL 24 N 1.34 4.70 0.16 5.08 0.11 0.50 0.21 120.40 132.49 1vhg s VAL 24 Ca 0.03 1.22 0.11 0.00 -2.93 0.00 0.00 61.98 60.41 1vhg s VAL 24 Cb -0.18 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 1vhg s VAL 24 CO -0.12 0.47 -0.22 -1.61 -3.33 0.00 0.00 175.10 170.29 1vhg s GLU 25 N -1.32 1.58 -0.19 1.54 2.02 0.13 -1.38 118.70 121.08 1vhg s GLU 25 Ca 0.32 -1.39 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 1vhg s GLU 25 Cb -0.19 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1vhg s GLU 25 CO 0.20 0.43 0.01 0.45 0.02 0.00 0.00 175.26 176.37 1vhg s SER 26 N -2.41 4.99 -0.17 -0.19 0.15 0.41 -1.28 113.70 115.21 1vhg s SER 26 Ca 0.19 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1vhg s SER 26 Cb -0.09 -1.85 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1vhg s SER 26 CO 0.09 0.09 -0.17 -0.69 1.20 0.00 0.00 173.24 173.76 1vhg s VAL 27 N 0.85 2.39 -0.23 4.45 1.01 0.27 -1.52 120.40 127.63 1vhg s VAL 27 Ca 0.01 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1vhg s VAL 27 Cb -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1vhg s VAL 27 CO 0.02 0.52 0.70 -1.81 0.00 0.00 0.00 175.10 174.53 1vhg s ASP 28 N 1.03 6.71 0.00 3.32 1.01 0.67 0.12 116.67 129.52 1vhg s ASP 28 Ca -0.02 0.87 0.06 0.00 0.71 0.00 0.00 52.55 54.18 1vhg s ASP 28 Cb -0.15 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1vhg s ASP 28 CO -0.05 -0.38 -0.20 -0.76 0.21 0.00 0.00 175.17 173.99 1vhg s LEU 29 N 2.40 2.08 -0.27 1.23 1.43 0.13 0.08 118.68 125.74 1vhg s LEU 29 Ca 0.30 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1vhg s LEU 29 Cb -0.16 -1.01 0.06 0.00 0.03 0.00 0.00 46.19 45.11 1vhg s LEU 29 CO 0.09 0.22 -0.07 -0.70 0.23 0.00 0.00 176.35 176.12 1vhg s GLU 30 N -0.69 2.28 0.84 1.70 2.12 -0.65 -0.78 118.70 123.53 1vhg s GLU 30 Ca 0.08 -1.34 -0.12 0.00 0.36 0.00 0.00 54.97 53.95 1vhg s GLU 30 Cb -0.08 -2.99 0.10 0.00 0.26 0.00 0.00 34.13 31.42 1vhg s GLU 30 CO 0.00 -0.59 1.12 -0.06 -0.54 0.00 0.00 175.26 175.19 1vhg s PHE 31 N 1.14 2.74 0.41 5.30 0.40 0.17 -0.41 117.98 127.73 1vhg s PHE 31 Ca -0.07 0.97 0.19 0.00 -0.60 0.00 0.00 56.93 57.42 1vhg s PHE 31 Cb -0.20 -3.28 1.13 0.00 0.51 0.00 0.00 43.02 41.18 1vhg s PHE 31 CO -0.04 -1.99 1.80 0.77 0.70 0.00 0.00 175.22 176.46 1vhg h SER 32 N -1.23 0.41 -0.13 1.36 0.02 -1.85 0.39 113.55 112.52 1vhg h SER 32 Ca -0.48 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1vhg h SER 32 Cb 1.30 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1vhg h SER 32 CO 0.62 0.10 0.00 -0.46 -1.14 0.00 0.00 176.83 175.95 1vhg n ASN 33 N -4.57 1.94 0.00 3.07 0.23 -1.26 -4.88 115.26 109.80 1vhg n ASN 33 Ca 0.24 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 1vhg n ASN 33 Cb 0.85 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.18 0.59 3.72 4.83 0.00 0.14 -4.96 105.19 109.68 1vhg n GLY 34 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.72 4.05 -0.10 1.61 1.01 -1.25 -4.77 120.40 118.24 1vhg s VAL 35 Ca 0.00 1.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 1vhg s VAL 35 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1vhg s VAL 35 CO 0.00 0.15 -0.00 -0.13 0.00 0.00 0.00 175.10 175.12 1vhg s ARG 36 N 0.77 3.11 0.04 2.72 0.52 -1.26 0.44 118.95 125.30 1vhg s ARG 36 Ca 0.56 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 55.21 1vhg s ARG 36 Cb -0.29 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.38 1vhg s ARG 36 CO 0.30 0.63 0.33 0.50 0.02 0.00 0.00 175.30 177.08 1vhg s ARG 37 N -0.67 0.83 -0.27 3.54 6.06 0.04 -5.00 118.95 123.48 1vhg s ARG 37 Ca 0.11 -0.46 -0.05 0.00 -2.50 0.00 0.00 55.73 52.83 1vhg s ARG 37 Cb -0.12 0.36 0.01 0.00 0.06 0.00 0.00 34.95 35.26 1vhg s ARG 37 CO 0.02 -0.27 0.02 0.08 -2.50 0.00 0.00 175.30 172.66 1vhg s VAL 38 N -2.48 3.61 0.22 7.11 1.01 -1.26 0.17 120.40 128.77 1vhg s VAL 38 Ca -0.05 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1vhg s VAL 38 Cb -0.01 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1vhg s VAL 38 CO -0.03 0.19 -0.02 -0.31 0.00 0.00 0.00 175.10 174.92 1vhg s TYR 39 N 1.46 2.73 -0.00 5.22 1.51 0.12 -4.90 117.35 123.48 1vhg s TYR 39 Ca 0.03 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1vhg s TYR 39 Cb -0.16 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1vhg s TYR 39 CO -0.00 0.56 -0.12 -1.21 -1.11 0.00 0.00 175.55 173.67 1vhg s GLU 40 N -3.24 2.40 0.00 -0.62 2.02 -1.26 0.96 118.70 118.96 1vhg s GLU 40 Ca 0.29 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1vhg s GLU 40 Cb -0.08 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1vhg s GLU 40 CO 0.18 0.59 0.00 2.89 0.02 0.00 0.00 175.26 178.94 1vhg n ARG 41 N 1.76 0.00 -3.82 1.61 1.85 -0.40 -4.82 116.66 112.83 1vhg n ARG 41 Ca -0.16 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.34 1vhg n ARG 41 Cb 0.52 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.84 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 2.40 4.02 0.37 2.89 3.52 0.13 0.22 118.95 132.51 1vhg s ARG 43 Ca 0.00 -0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.01 1vhg s ARG 43 Cb 0.00 -3.36 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 1vhg s ARG 43 CO 0.00 0.17 1.40 -1.25 -0.81 0.00 0.00 175.30 174.81 1vhg s PRO 44 N 0.69 4.13 0.10 5.12 0.04 -1.26 -4.89 135.00 138.93 1vhg s PRO 44 Ca 0.06 2.39 0.03 0.00 0.04 0.00 0.00 61.00 63.52 1vhg s PRO 44 Cb -0.13 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1vhg s PRO 44 CO 0.01 -0.44 -0.09 0.95 0.04 0.00 0.00 177.00 177.47 1vhg s THR 45 N -1.15 0.90 -2.09 1.26 -4.23 -1.26 -5.01 115.64 104.05 1vhg s THR 45 Ca 0.53 -1.70 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1vhg s THR 45 Cb -0.43 -1.42 0.26 0.00 1.34 0.00 0.00 72.50 72.26 1vhg s THR 45 CO 0.57 -0.62 1.20 0.59 -0.54 0.00 0.00 174.62 175.82 1vhg n ASN 46 N 0.44 2.87 -4.63 3.99 4.13 -1.26 -4.41 115.26 116.38 1vhg n ASN 46 Ca -0.15 -1.85 -0.43 0.00 1.68 0.00 0.00 54.58 53.83 1vhg n ASN 46 Cb 0.58 -0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.68 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 -1.38 3.71 0.23 3.52 6.06 -1.26 -5.00 118.95 124.82 1vhg s ARG 47 Ca 0.27 1.73 0.05 0.00 -2.50 0.00 0.00 55.73 55.28 1vhg s ARG 47 Cb 0.17 -4.09 -0.03 0.00 0.06 0.00 0.00 34.95 31.06 1vhg s ARG 47 CO 0.24 -1.41 0.33 -1.21 -2.50 0.00 0.00 175.30 170.75 1vhg s GLU 48 N 4.92 3.37 0.34 5.12 2.02 -1.26 -4.48 118.70 128.74 1vhg s GLU 48 Ca 0.76 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 55.05 1vhg s GLU 48 Cb -0.26 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1vhg s GLU 48 CO 0.31 0.44 0.29 0.00 0.02 0.00 0.00 175.26 176.32 1vhg s ALA 49 N -1.96 3.83 0.07 5.21 0.00 0.12 -0.56 121.76 128.47 1vhg s ALA 49 Ca 0.34 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1vhg s ALA 49 Cb -0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1vhg s ALA 49 CO 0.28 -0.01 0.06 1.55 0.00 0.00 0.00 175.76 177.64 1vhg n VAL 50 N -1.37 0.00 -3.64 0.00 3.14 0.23 -1.00 118.33 115.68 1vhg n VAL 50 Ca -0.01 -0.49 -0.03 0.00 -2.96 0.00 0.00 64.34 60.84 1vhg n VAL 50 Cb 0.60 0.24 -0.07 0.00 -1.06 0.00 0.00 33.84 33.56 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 -2.26 0.00 -0.63 1.55 1.09 -0.70 -0.73 121.20 119.53 1vhg s ILE 52 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.63 1vhg s ILE 52 Cb 0.00 -1.00 0.16 0.00 -1.06 0.00 0.00 42.46 40.56 1vhg s ILE 52 CO 0.06 0.00 0.42 -0.69 -0.10 0.00 0.00 174.94 174.63 1vhg s VAL 53 N 1.22 3.31 0.19 2.92 1.01 -0.66 -3.65 120.40 124.74 1vhg s VAL 53 Ca -0.08 -3.33 -0.30 0.00 0.00 0.00 0.00 61.98 58.27 1vhg s VAL 53 Cb -0.04 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 1vhg s VAL 53 CO -0.14 -0.89 1.06 -2.84 0.00 0.00 0.00 175.10 172.29 1vhg s PRO 54 N -0.44 4.65 -0.13 2.72 0.02 -1.26 -1.69 135.00 138.86 1vhg s PRO 54 Ca 0.19 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.89 1vhg s PRO 54 Cb -0.19 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.07 1vhg s PRO 54 CO -0.04 0.18 -0.17 0.42 -0.33 0.00 0.00 177.00 177.05 1vhg s ILE 55 N -0.48 1.72 0.00 2.83 1.01 -0.51 -1.67 121.20 124.09 1vhg s ILE 55 Ca 0.47 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1vhg s ILE 55 Cb -0.29 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1vhg s ILE 55 CO 0.35 0.48 0.00 0.52 0.00 0.00 0.00 174.94 176.29 1vhg n VAL 56 N 4.28 0.00 -3.04 2.92 0.31 -0.47 -4.49 118.33 117.83 1vhg n VAL 56 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.77 1vhg n VAL 56 Cb 0.51 -0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 32.99 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 -0.58 5.67 -2.30 4.52 8.00 -1.26 -4.63 116.55 125.98 1vhg n ASP 57 Ca 0.00 -3.50 -0.18 0.00 0.71 0.00 0.00 54.79 51.81 1vhg n ASP 57 Cb 0.00 -1.01 0.01 0.00 -0.02 0.00 0.00 41.12 40.10 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 0.77 -5.32 -4.15 -2.24 10.43 -1.26 -4.97 116.55 109.80 1vhg n ASP 58 Ca 0.31 -0.13 -0.19 0.00 2.57 0.00 0.00 54.79 57.36 1vhg n ASP 58 Cb 0.35 -4.28 -0.12 0.00 1.84 0.00 0.00 41.12 38.90 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 -2.98 1.19 -0.04 1.24 3.76 -1.26 -1.36 115.29 115.83 1vhg s HIS 59 Ca 0.12 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.45 1vhg s HIS 59 Cb -0.05 -0.68 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 1vhg s HIS 59 CO 0.15 0.04 0.45 -0.51 -0.85 0.00 0.00 174.74 174.03 1vhg s LEU 60 N -1.48 4.40 -0.51 0.89 1.02 0.29 -1.37 118.68 121.93 1vhg s LEU 60 Ca -0.01 0.94 -0.17 0.00 0.02 0.00 0.00 54.13 54.90 1vhg s LEU 60 Cb -0.09 -2.67 0.08 0.00 0.02 0.00 0.00 46.19 43.53 1vhg s LEU 60 CO 0.02 0.19 0.53 -0.63 0.02 0.00 0.00 176.35 176.48 1vhg s ILE 61 N -0.38 5.04 0.30 -0.59 1.09 -0.67 -0.13 121.20 125.86 1vhg s ILE 61 Ca 0.25 -0.87 0.06 0.00 -1.10 0.00 0.00 60.65 58.99 1vhg s ILE 61 Cb -0.16 -4.26 -0.02 0.00 -1.06 0.00 0.00 42.46 36.96 1vhg s ILE 61 CO 0.13 -0.76 0.43 -0.76 -0.10 0.00 0.00 174.94 173.88 1vhg s LEU 62 N 2.16 4.09 0.13 2.97 2.01 0.17 -4.51 118.68 125.70 1vhg s LEU 62 Ca 0.09 -0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.21 1vhg s LEU 62 Cb -0.23 -2.81 -0.04 0.00 0.01 0.00 0.00 46.19 43.13 1vhg s LEU 62 CO 0.08 -0.30 -0.12 0.27 1.01 0.00 0.00 176.35 177.29 1vhg s ILE 63 N -2.11 1.23 -0.23 -0.59 -5.25 0.11 -0.33 121.20 114.02 1vhg s ILE 63 Ca 0.41 -1.82 -0.06 0.00 -0.99 0.00 0.00 60.65 58.19 1vhg s ILE 63 Cb -0.09 -1.61 -0.02 0.00 2.95 0.00 0.00 42.46 43.69 1vhg s ILE 63 CO 0.31 -0.54 0.03 -0.13 -1.79 0.00 0.00 174.94 172.82 1vhg s ARG 64 N -3.03 3.59 -0.01 0.37 0.52 -0.73 -0.83 118.95 118.84 1vhg s ARG 64 Ca 0.11 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1vhg s ARG 64 Cb -0.02 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.25 1vhg s ARG 64 CO 0.02 -0.14 -0.01 -2.00 0.02 0.00 0.00 175.30 173.19 1vhg s GLU 65 N 1.44 0.14 0.21 3.54 2.12 -0.66 -4.04 118.70 121.47 1vhg s GLU 65 Ca 0.05 0.00 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 1vhg s GLU 65 Cb -0.15 -0.22 -0.09 0.00 0.26 0.00 0.00 34.13 33.93 1vhg s GLU 65 CO 0.02 -0.03 1.41 -0.47 -0.54 0.00 0.00 175.26 175.65 1vhg s TYR 66 N 0.33 3.12 -0.23 5.30 6.14 -1.26 -0.87 117.35 129.87 1vhg s TYR 66 Ca -0.03 1.04 0.02 0.00 0.64 0.00 0.00 57.07 58.74 1vhg s TYR 66 Cb -0.05 -3.75 0.04 0.00 0.42 0.00 0.00 41.96 38.62 1vhg s TYR 66 CO -0.01 -2.47 -0.14 0.00 0.64 0.00 0.00 175.55 173.57 1vhg s ALA 67 N 0.23 2.48 0.28 3.97 0.00 -0.02 -4.91 121.76 123.78 1vhg s ALA 67 Ca 0.60 -1.52 0.13 0.00 0.00 0.00 0.00 51.96 51.17 1vhg s ALA 67 Cb -0.40 -1.43 0.55 0.00 0.00 0.00 0.00 23.12 21.84 1vhg s ALA 67 CO 0.39 -0.82 1.70 -0.24 0.00 0.00 0.00 175.76 176.79 1vhg h VAL 68 N 6.39 1.25 -0.88 0.00 3.04 -1.95 0.13 116.25 124.22 1vhg h VAL 68 Ca -0.31 -1.74 0.07 0.00 -1.01 0.00 0.00 66.70 63.71 1vhg h VAL 68 Cb 1.09 1.96 -0.07 0.00 -2.01 0.00 0.00 31.29 32.26 1vhg h VAL 68 CO 0.54 0.48 0.54 1.23 -1.01 0.00 0.00 177.57 179.35 1vhg h GLY 69 N 1.70 1.34 -0.95 3.17 0.00 -1.95 -2.89 103.07 103.49 1vhg h GLY 69 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1vhg h GLY 69 CO 0.06 0.24 -0.09 -1.30 0.00 0.00 0.00 176.54 175.45 1vhg n THR 70 N -4.63 0.00 -3.72 4.70 -2.24 -1.17 -5.00 114.28 102.21 1vhg n THR 70 Ca 0.13 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 61.23 1vhg n THR 70 Cb 0.21 1.25 0.04 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.46 -5.23 -3.89 -0.78 1.02 0.41 -4.95 120.64 107.68 1vhg n GLU 71 Ca 0.07 0.64 -0.08 0.00 -0.02 0.00 0.00 57.16 57.77 1vhg n GLU 71 Cb 0.33 -5.30 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 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 -0.09 -0.31 1.62 1.04 -0.98 -4.99 113.70 105.86 1vhg s SER 72 Ca 0.14 -0.86 -0.19 0.00 0.48 0.00 0.00 55.95 55.52 1vhg s SER 72 Cb -0.07 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 1vhg s SER 72 CO 0.81 -1.39 0.55 -0.31 0.98 0.00 0.00 173.24 173.87 1vhg s TYR 73 N -3.48 3.22 0.32 5.02 1.51 -1.26 -0.84 117.35 121.84 1vhg s TYR 73 Ca 0.16 0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 56.59 1vhg s TYR 73 Cb -0.04 -2.88 -0.06 0.00 -0.11 0.00 0.00 41.96 38.87 1vhg s TYR 73 CO 0.09 -0.43 0.64 -1.83 -1.11 0.00 0.00 175.55 172.90 1vhg s GLU 74 N 2.43 3.71 -0.19 -0.62 -1.05 -0.05 -4.84 118.70 118.09 1vhg s GLU 74 Ca 0.21 0.22 -0.04 0.00 -0.15 0.00 0.00 54.97 55.22 1vhg s GLU 74 Cb -0.15 -2.55 -0.02 0.00 -0.44 0.00 0.00 34.13 30.97 1vhg s GLU 74 CO 0.12 0.13 -0.04 -1.17 0.95 0.00 0.00 175.26 175.25 1vhg s LEU 75 N -3.56 3.04 0.00 1.83 2.96 0.06 -1.65 118.68 121.36 1vhg s LEU 75 Ca 0.47 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1vhg s LEU 75 Cb -0.11 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1vhg s LEU 75 CO 0.29 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 176.00 1vhg n GLY 76 N 4.17 -0.68 3.85 7.98 0.00 -0.01 -3.59 105.19 116.91 1vhg n GLY 76 Ca -0.18 -0.67 -0.36 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 -3.00 3.63 0.14 1.61 0.40 -1.26 0.03 117.98 119.53 1vhg s PHE 77 Ca 0.00 0.96 -0.34 0.00 -0.60 0.00 0.00 56.93 56.95 1vhg s PHE 77 Cb 0.00 -2.28 -0.14 0.00 0.51 0.00 0.00 43.02 41.11 1vhg s PHE 77 CO 0.00 0.51 1.60 0.45 0.70 0.00 0.00 175.22 178.48 1vhg n SER 78 N 1.08 3.12 -4.18 1.36 2.88 -1.24 -4.87 113.62 111.77 1vhg n SER 78 Ca -0.08 1.07 -0.24 0.00 -1.33 0.00 0.00 58.87 58.29 1vhg n SER 78 Cb 0.52 -1.42 -0.15 0.00 -0.75 0.00 0.00 64.21 62.41 1vhg n SER 78 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1vhg s LYS 79 N 1.19 1.31 0.29 -1.46 1.02 -1.26 -1.72 119.74 119.10 1vhg s LYS 79 Ca 0.80 -0.70 -0.20 0.00 0.02 0.00 0.00 55.97 55.89 1vhg s LYS 79 Cb -0.68 -1.31 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1vhg s LYS 79 CO 0.39 0.35 0.71 0.20 -0.92 0.00 0.00 175.35 176.08 1vhg s GLY 80 N -0.69 0.00 0.31 -3.33 0.00 0.09 -5.00 107.32 98.70 1vhg s GLY 80 Ca 0.06 -0.39 -0.09 0.00 0.00 0.00 0.00 44.72 44.29 1vhg s GLY 80 CO 0.00 -0.15 0.63 1.08 0.00 0.00 0.00 173.10 174.67 1vhg s LEU 81 N -2.94 4.03 -0.35 0.66 1.43 -1.26 0.77 118.68 121.01 1vhg s LEU 81 Ca 0.12 0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 54.01 1vhg s LEU 81 Cb -0.06 -3.78 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 1vhg s LEU 81 CO 0.08 -0.21 0.48 -0.63 0.23 0.00 0.00 176.35 176.29 1vhg s ILE 82 N -2.07 5.05 0.49 -0.59 1.01 0.28 -4.76 121.20 120.61 1vhg s ILE 82 Ca 0.48 0.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.17 1vhg s ILE 82 Cb -0.11 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 1vhg s ILE 82 CO 0.26 -0.19 1.15 -1.81 0.00 0.00 0.00 174.94 174.34 1vhg s ASP 83 N 1.75 6.03 -0.03 3.58 1.01 -1.26 -4.55 116.67 123.20 1vhg s ASP 83 Ca 0.17 2.25 -0.39 0.00 0.71 0.00 0.00 52.55 55.28 1vhg s ASP 83 Cb -0.16 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 41.00 1vhg s ASP 83 CO 0.13 -1.01 1.32 -2.65 0.21 0.00 0.00 175.17 173.17 1vhg n PRO 84 N -0.77 0.68 0.00 8.23 -0.02 -1.26 -0.71 135.00 141.14 1vhg n PRO 84 Ca 0.09 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1vhg n PRO 84 Cb 0.49 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 2.49 3.16 3.82 -1.23 0.00 -1.26 -5.05 105.19 107.12 1vhg n GLY 85 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.40 4.22 0.76 1.61 2.02 0.11 -5.07 118.70 121.96 1vhg s GLU 86 Ca 0.00 1.00 -0.06 0.00 0.02 0.00 0.00 54.97 55.94 1vhg s GLU 86 Cb 0.00 -2.41 0.12 0.00 0.10 0.00 0.00 34.13 31.94 1vhg s GLU 86 CO 0.00 0.11 1.06 -1.54 0.02 0.00 0.00 175.26 174.91 1vhg s SER 87 N -2.07 4.26 0.26 -0.19 1.04 -1.26 -4.83 113.70 110.90 1vhg s SER 87 Ca 0.56 0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.97 1vhg s SER 87 Cb -0.12 -0.43 0.31 0.00 0.10 0.00 0.00 66.02 65.88 1vhg s SER 87 CO 0.17 -1.94 1.83 -0.37 0.98 0.00 0.00 173.24 173.91 1vhg h VAL 88 N -0.75 1.24 -0.17 5.02 -1.51 -1.99 -2.00 116.25 116.09 1vhg h VAL 88 Ca -0.41 -0.75 -0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1vhg h VAL 88 Cb 1.27 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1vhg h VAL 88 CO 0.46 0.30 0.09 1.88 -1.23 0.00 0.00 177.57 179.07 1vhg h TYR 89 N 1.01 0.23 -0.30 5.19 0.05 -1.96 -0.55 116.97 120.63 1vhg h TYR 89 Ca 0.23 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 1vhg h TYR 89 Cb 0.19 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1vhg h TYR 89 CO 0.02 0.21 0.18 0.93 -1.05 0.00 0.00 178.16 178.44 1vhg h GLU 90 N 0.18 0.41 -0.64 4.88 5.08 -1.85 -1.01 114.58 121.63 1vhg h GLU 90 Ca 0.06 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1vhg h GLU 90 Cb 0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1vhg h GLU 90 CO -0.01 0.33 0.04 0.00 -1.00 0.00 0.00 179.01 178.37 1vhg h ALA 91 N 1.06 0.87 -0.26 3.43 0.00 -1.31 -1.51 119.26 121.55 1vhg h ALA 91 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1vhg h ALA 91 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1vhg h ALA 91 CO -0.02 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.96 1vhg h ALA 92 N 1.02 0.34 -0.45 0.00 0.00 -0.63 -1.86 119.26 117.68 1vhg h ALA 92 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1vhg h ALA 92 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1vhg h ALA 92 CO 0.02 0.00 -0.01 -0.97 0.00 0.00 0.00 179.25 178.30 1vhg h ASN 93 N 0.24 0.71 0.01 0.00 -1.24 -1.07 -1.52 115.58 112.71 1vhg h ASN 93 Ca 0.08 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 1vhg h ASN 93 Cb 0.30 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1vhg h ASN 93 CO 0.00 0.78 -0.01 -0.09 -1.29 0.00 0.00 177.43 176.83 1vhg h ARG 94 N 0.69 -0.02 -0.66 6.67 2.43 -1.14 -2.59 114.38 119.77 1vhg h ARG 94 Ca 0.14 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1vhg h ARG 94 Cb 0.44 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1vhg h ARG 94 CO 0.02 0.42 0.30 0.93 -1.51 0.00 0.00 179.97 180.13 1vhg h GLU 95 N -0.46 0.94 -0.60 0.20 4.39 -1.28 -0.67 114.58 117.09 1vhg h GLU 95 Ca -0.00 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1vhg h GLU 95 Cb 0.45 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1vhg h GLU 95 CO 0.00 0.73 0.12 1.25 -1.16 0.00 0.00 179.01 179.96 1vhg h LEU 96 N 0.93 0.93 -0.70 1.33 6.46 -1.30 -0.55 115.31 122.41 1vhg h LEU 96 Ca 0.23 -0.25 -0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1vhg h LEU 96 Cb 0.11 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 1vhg h LEU 96 CO -0.03 0.94 0.04 0.11 -0.62 0.00 0.00 178.44 178.88 1vhg h LYS 97 N 0.88 1.05 -0.08 1.25 1.57 -0.67 -0.24 116.57 120.32 1vhg h LYS 97 Ca 0.18 -0.30 -0.25 0.00 -1.87 0.00 0.00 60.65 58.42 1vhg h LYS 97 Cb 0.39 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.60 1vhg h LYS 97 CO 0.01 1.00 -0.91 0.93 -0.57 0.00 0.00 179.45 179.90 1vhg h GLU 98 N 0.97 0.75 0.01 3.15 5.08 -1.02 -1.53 114.58 122.00 1vhg h GLU 98 Ca 0.18 -0.71 -0.30 0.00 -1.00 0.00 0.00 59.36 57.54 1vhg h GLU 98 Cb 0.50 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1vhg h GLU 98 CO 0.02 1.30 -1.74 0.39 -1.00 0.00 0.00 179.01 177.98 1vhg n GLU 99 N -3.90 0.65 0.00 2.33 1.02 -0.23 -4.38 120.64 116.13 1vhg n GLU 99 Ca -0.09 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1vhg n GLU 99 Cb 0.81 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 -3.09 0.00 -0.97 2.62 0.31 -0.15 -4.65 118.33 112.40 1vhg n VAL 100 Ca -0.18 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1vhg n VAL 100 Cb 1.05 0.90 0.00 0.00 -0.91 0.00 0.00 33.84 34.88 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 1.18 0.40 3.14 2.92 0.00 -0.92 -4.98 105.19 106.92 1vhg n GLY 101 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 1.11 0.49 1.61 0.08 -1.18 -1.13 117.98 116.96 1vhg s PHE 102 Ca 0.00 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.68 1vhg s PHE 102 Cb 0.00 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 1vhg s PHE 102 CO 0.00 0.03 0.32 0.20 -0.10 0.00 0.00 175.22 175.67 1vhg s GLY 103 N -1.53 2.36 0.00 4.36 0.00 -0.20 -1.96 107.32 110.35 1vhg s GLY 103 Ca -0.02 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1vhg s GLY 103 CO 0.02 -1.91 -0.02 0.00 0.00 0.00 0.00 173.10 171.19 1vhg s ALA 104 N -2.69 0.16 -0.40 3.20 0.00 -1.26 -1.99 121.76 118.77 1vhg s ALA 104 Ca 0.36 -0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.41 1vhg s ALA 104 Cb -0.01 -0.02 0.28 0.00 0.00 0.00 0.00 23.12 23.37 1vhg s ALA 104 CO 0.22 0.02 1.52 -0.91 0.00 0.00 0.00 175.76 176.60 1vhg h ASN 105 N 5.94 0.00 -3.48 0.00 2.35 -0.79 -3.42 115.58 116.19 1vhg h ASN 105 Ca -0.26 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.87 1vhg h ASN 105 Cb 1.20 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.17 1vhg h ASN 105 CO 0.50 0.01 -0.73 -0.62 -1.65 0.00 0.00 177.43 174.94 1vhg s ASP 106 N -6.09 4.16 -0.17 5.81 3.68 -0.29 -5.02 116.67 118.75 1vhg s ASP 106 Ca 0.06 -2.13 -0.04 0.00 2.13 0.00 0.00 52.55 52.57 1vhg s ASP 106 Cb 0.06 -1.17 -0.02 0.00 -1.45 0.00 0.00 42.92 40.33 1vhg s ASP 106 CO 0.69 -0.36 -0.03 -0.76 0.13 0.00 0.00 175.17 174.85 1vhg s LEU 107 N 0.96 3.21 -0.11 -1.34 1.43 -1.26 -0.10 118.68 121.48 1vhg s LEU 107 Ca 0.13 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1vhg s LEU 107 Cb -0.20 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1vhg s LEU 107 CO -0.12 0.13 -0.13 0.28 0.23 0.00 0.00 176.35 176.73 1vhg s THR 108 N 0.62 1.35 -0.61 5.49 -1.32 0.58 -4.96 115.64 116.81 1vhg s THR 108 Ca -0.02 -0.54 -0.27 0.00 -1.21 0.00 0.00 61.69 59.65 1vhg s THR 108 Cb -0.14 -1.27 0.03 0.00 -1.51 0.00 0.00 72.50 69.61 1vhg s THR 108 CO 0.02 0.42 1.14 0.12 -2.21 0.00 0.00 174.62 174.11 1vhg s PHE 109 N 1.19 2.59 -0.05 9.09 5.99 -1.26 -0.02 117.98 135.52 1vhg s PHE 109 Ca -0.03 0.19 -0.06 0.00 0.00 0.00 0.00 56.93 57.03 1vhg s PHE 109 Cb -0.14 -4.43 -0.28 0.00 0.00 0.00 0.00 43.02 38.17 1vhg s PHE 109 CO -0.04 -1.62 0.66 1.25 -0.00 0.00 0.00 175.22 175.47 1vhg h LEU 110 N 11.88 0.47 -7.00 6.12 5.85 -1.52 -3.49 115.31 127.62 1vhg h LEU 110 Ca -0.26 -0.76 0.27 0.00 0.84 0.00 0.00 57.88 57.98 1vhg h LEU 110 Cb 1.06 -0.15 -0.23 0.00 0.37 0.00 0.00 40.66 41.71 1vhg h LEU 110 CO 1.18 1.65 0.91 -0.75 -0.34 0.00 0.00 178.44 181.09 1vhg s LYS 111 N -2.59 0.13 -0.05 1.25 2.47 -1.23 -5.01 119.74 114.71 1vhg s LYS 111 Ca -0.14 -0.02 0.06 0.00 -1.56 0.00 0.00 55.97 54.31 1vhg s LYS 111 Cb 0.06 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.48 1vhg s LYS 111 CO 0.84 -0.05 -0.25 0.21 0.16 0.00 0.00 175.35 176.26 1vhg s LYS 112 N -1.75 2.49 0.11 4.03 2.20 -1.26 -0.64 119.74 124.92 1vhg s LYS 112 Ca 0.10 -0.90 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1vhg s LYS 112 Cb -0.01 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1vhg s LYS 112 CO -0.05 0.39 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.73 1vhg s LEU 113 N -0.19 2.47 0.00 5.43 1.02 -1.26 -5.02 118.68 121.13 1vhg s LEU 113 Ca -0.03 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.21 1vhg s LEU 113 Cb -0.13 -0.25 0.00 0.00 0.02 0.00 0.00 46.19 45.82 1vhg s LEU 113 CO 0.03 -0.33 0.00 -1.20 0.02 0.00 0.00 176.35 174.87 1vhg n SER 114 N 0.20 0.00 -1.40 2.29 7.64 -1.26 -4.42 113.62 116.67 1vhg n SER 114 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1vhg n SER 114 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.07 0.34 -0.43 0.00 -1.26 -5.04 120.51 111.19 1vhg n ALA 116 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1vhg n ALA 116 Cb 0.00 -0.07 0.23 0.00 0.00 0.00 0.00 19.45 19.61 1vhg n ALA 116 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vhg n PRO 117 N 1.37 0.01 -0.07 0.00 -0.02 -1.25 -1.07 135.00 133.97 1vhg n PRO 117 Ca 0.00 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1vhg n PRO 117 Cb 0.12 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1vhg n PRO 117 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1vhg h SER 118 N 0.00 0.32 0.00 2.55 0.02 -2.02 -3.36 113.55 111.06 1vhg h SER 118 Ca 0.00 -0.10 -0.25 0.00 -0.84 0.00 0.00 61.79 60.60 1vhg h SER 118 Cb 0.18 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1vhg h SER 118 CO 0.00 0.33 -1.93 -1.22 -1.14 0.00 0.00 176.83 172.87 1vhg n TYR 119 N -4.84 0.00 -4.29 3.45 4.01 -1.14 -4.86 117.16 109.49 1vhg n TYR 119 Ca -0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.48 1vhg n TYR 119 Cb 0.08 -0.66 -0.07 0.00 -0.31 0.00 0.00 39.34 38.39 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 -2.33 2.70 -0.01 -0.72 0.40 -0.23 -4.75 117.98 113.05 1vhg s PHE 120 Ca -0.12 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1vhg s PHE 120 Cb 0.05 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.35 1vhg s PHE 120 CO 0.50 0.61 0.01 -1.13 0.70 0.00 0.00 175.22 175.91 1vhg n SER 121 N -0.81 4.76 -4.47 1.36 3.41 -1.26 -3.86 113.62 112.74 1vhg n SER 121 Ca -0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1vhg n SER 121 Cb 0.59 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1vhg n SER 121 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vhg n SER 122 N -1.79 -0.55 0.00 4.04 2.88 -1.26 -4.97 113.62 111.97 1vhg n SER 122 Ca -0.01 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1vhg n SER 122 Cb 0.28 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1vhg n SER 122 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1vhg n LYS 123 N 0.60 3.94 -3.66 -1.46 0.00 -1.26 -4.66 118.16 111.66 1vhg n LYS 123 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.37 1vhg n LYS 123 Cb 0.38 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.34 1vhg n LYS 123 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1vhg s ASN 125 N 1.00 -0.66 -0.26 -5.58 0.01 -0.17 -0.70 114.94 108.57 1vhg s ASN 125 Ca 0.00 1.25 -0.19 0.00 -0.71 0.00 0.00 52.86 53.21 1vhg s ASN 125 Cb 0.00 1.72 -0.02 0.00 0.41 0.00 0.00 41.25 43.35 1vhg s ASN 125 CO 0.00 -0.23 0.57 -0.63 -1.51 0.00 0.00 177.10 175.31 1vhg s ILE 126 N 2.63 5.02 -0.14 0.60 1.01 0.18 -4.35 121.20 126.17 1vhg s ILE 126 Ca -0.04 1.01 0.02 0.00 0.00 0.00 0.00 60.65 61.64 1vhg s ILE 126 Cb -0.12 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1vhg s ILE 126 CO -0.16 0.05 -0.19 -0.69 0.00 0.00 0.00 174.94 173.96 1vhg s VAL 127 N 2.41 1.85 -0.12 2.92 1.01 -1.26 -1.14 120.40 126.07 1vhg s VAL 127 Ca 0.24 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1vhg s VAL 127 Cb -0.16 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1vhg s VAL 127 CO 0.09 0.51 0.63 -0.69 0.00 0.00 0.00 175.10 175.64 1vhg s VAL 128 N 0.97 5.07 -0.22 2.92 1.01 0.98 -1.65 120.40 129.47 1vhg s VAL 128 Ca -0.05 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 1vhg s VAL 128 Cb -0.15 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1vhg s VAL 128 CO -0.04 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.28 1vhg s ALA 129 N 1.16 2.98 0.23 5.51 0.00 -0.68 -0.31 121.76 130.65 1vhg s ALA 129 Ca 0.32 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1vhg s ALA 129 Cb -0.16 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 1vhg s ALA 129 CO 0.14 -0.37 -0.00 -0.65 0.00 0.00 0.00 175.76 174.88 1vhg s GLN 130 N 1.38 1.35 -0.82 0.00 -0.21 0.86 -1.43 119.66 120.79 1vhg s GLN 130 Ca 0.05 -1.68 -0.03 0.00 0.02 0.00 0.00 55.36 53.72 1vhg s GLN 130 Cb -0.15 -0.63 -0.03 0.00 1.00 0.00 0.00 33.01 33.21 1vhg s GLN 130 CO 0.00 -0.10 0.75 -3.47 -2.12 0.00 0.00 175.29 170.35 1vhg n ASP 131 N -0.43 -6.93 -4.86 5.90 2.03 -1.26 -1.13 116.55 109.87 1vhg n ASP 131 Ca -0.05 -0.34 -0.31 0.00 0.52 0.00 0.00 54.79 54.61 1vhg n ASP 131 Cb 0.64 -4.97 -0.03 0.00 -0.72 0.00 0.00 41.12 36.03 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 -4.49 3.72 -0.07 -2.67 1.43 -1.26 -0.56 118.68 114.78 1vhg s LEU 132 Ca 0.20 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.62 1vhg s LEU 132 Cb -0.03 -4.27 0.03 0.00 0.03 0.00 0.00 46.19 41.95 1vhg s LEU 132 CO 0.70 -0.50 0.16 -0.72 0.23 0.00 0.00 176.35 176.22 1vhg s TYR 133 N -2.50 -0.19 0.24 0.29 -0.85 -0.84 -4.93 117.35 108.56 1vhg s TYR 133 Ca 0.55 0.49 -0.32 0.00 -0.52 0.00 0.00 57.07 57.27 1vhg s TYR 133 Cb -0.10 -0.00 -0.12 0.00 0.38 0.00 0.00 41.96 42.11 1vhg s TYR 133 CO 0.31 -0.14 1.59 -2.30 -1.52 0.00 0.00 175.55 173.50 1vhg n PRO 134 N 3.67 2.49 -3.22 -3.49 -0.02 -1.26 -1.03 135.00 132.13 1vhg n PRO 134 Ca -0.20 0.89 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 1vhg n PRO 134 Cb 0.55 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1vhg n PRO 134 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1vhg s GLU 135 N 0.24 0.08 -0.07 -0.52 2.12 -0.29 -4.80 118.70 115.47 1vhg s GLU 135 Ca 0.71 0.20 0.03 0.00 0.36 0.00 0.00 54.97 56.26 1vhg s GLU 135 Cb -0.56 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 33.92 1vhg s GLU 135 CO 0.42 -0.03 -0.13 0.45 -0.54 0.00 0.00 175.26 175.44 1vhg s SER 136 N 2.11 4.12 0.25 -1.70 0.15 -1.26 -3.09 113.70 114.28 1vhg s SER 136 Ca -0.00 -0.19 0.10 0.00 0.70 0.00 0.00 55.95 56.56 1vhg s SER 136 Cb -0.02 -1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 63.23 1vhg s SER 136 CO -0.16 0.32 -0.18 -0.76 1.20 0.00 0.00 173.24 173.66 1vhg s LEU 137 N -0.57 2.58 -0.27 3.45 1.02 -0.59 -4.96 118.68 119.34 1vhg s LEU 137 Ca 0.08 -1.03 -0.23 0.00 0.02 0.00 0.00 54.13 52.98 1vhg s LEU 137 Cb -0.11 -0.92 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 1vhg s LEU 137 CO 0.01 -0.05 0.76 -1.61 0.02 0.00 0.00 176.35 175.48 1vhg s GLU 138 N -3.56 4.09 0.00 1.70 0.41 -1.26 -4.03 118.70 116.04 1vhg s GLU 138 Ca 0.27 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.54 1vhg s GLU 138 Cb -0.03 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 1vhg s GLU 138 CO 0.12 -0.54 0.00 0.41 -0.49 0.00 0.00 175.26 174.76 1vhg n GLY 139 N 4.02 2.78 0.93 -1.39 0.00 -1.26 -4.95 105.19 105.32 1vhg n GLY 139 Ca 0.03 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.62 3.66 -4.76 1.61 8.00 -1.26 -5.01 116.55 117.16 1vhg n ASP 140 Ca 0.00 -2.44 -0.41 0.00 0.71 0.00 0.00 54.79 52.65 1vhg n ASP 140 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1vhg n ASP 140 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1vhg s GLU 141 N -1.81 4.42 0.43 -1.24 1.03 -1.26 -4.92 118.70 115.35 1vhg s GLU 141 Ca 0.36 2.12 0.23 0.00 0.03 0.00 0.00 54.97 57.71 1vhg s GLU 141 Cb 0.24 -3.10 0.39 0.00 -0.80 0.00 0.00 34.13 30.86 1vhg s GLU 141 CO 0.15 -0.11 1.62 -1.00 -1.33 0.00 0.00 175.26 174.60 1vhg h PRO 142 N 3.61 0.00 -3.41 -4.83 0.13 -2.04 -3.45 132.00 122.01 1vhg h PRO 142 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1vhg h PRO 142 Cb 1.22 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.15 1vhg h PRO 142 CO 0.67 0.05 -0.44 -1.83 -0.23 0.00 0.00 178.00 176.22 1vhg s GLU 143 N -3.22 0.54 0.62 0.86 -1.05 -1.26 -5.15 118.70 110.03 1vhg s GLU 143 Ca 0.06 -0.37 -0.18 0.00 -0.15 0.00 0.00 54.97 54.33 1vhg s GLU 143 Cb 0.06 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1vhg s GLU 143 CO 0.67 -0.13 1.25 -1.25 0.95 0.00 0.00 175.26 176.74 1vhg s PRO 144 N -1.44 2.76 -0.40 -4.83 0.04 -1.26 -5.00 135.00 124.87 1vhg s PRO 144 Ca -0.14 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 1vhg s PRO 144 Cb -0.07 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1vhg s PRO 144 CO 0.02 -1.40 0.28 -0.51 0.04 0.00 0.00 177.00 175.43 1vhg s LEU 145 N -4.23 5.03 0.29 -3.56 1.43 -1.26 -5.05 118.68 111.34 1vhg s LEU 145 Ca 0.80 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1vhg s LEU 145 Cb -0.34 -2.12 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 1vhg s LEU 145 CO 0.36 -0.44 1.44 -2.65 0.23 0.00 0.00 176.35 175.29 1vhg n PRO 146 N 5.12 2.31 -3.89 1.29 -0.02 -1.26 -4.76 135.00 133.78 1vhg n PRO 146 Ca -0.11 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 1vhg n PRO 146 Cb 0.47 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.98 3.45 -0.11 -0.52 -0.21 -1.26 -1.78 119.66 118.26 1vhg s GLN 147 Ca 0.62 -0.27 -0.00 0.00 0.02 0.00 0.00 55.36 55.73 1vhg s GLN 147 Cb -0.57 -3.11 0.02 0.00 1.00 0.00 0.00 33.01 30.35 1vhg s GLN 147 CO 0.54 0.69 -0.08 0.08 -2.12 0.00 0.00 175.29 174.40 1vhg s VAL 148 N -1.27 1.05 -0.39 1.09 1.01 0.55 -4.97 120.40 117.46 1vhg s VAL 148 Ca 0.25 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 1vhg s VAL 148 Cb -0.13 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1vhg s VAL 148 CO 0.16 0.37 0.87 -0.13 0.00 0.00 0.00 175.10 176.36 1vhg s ARG 149 N 1.55 3.71 -0.19 2.72 0.52 -1.26 0.44 118.95 126.45 1vhg s ARG 149 Ca 0.02 0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 55.57 1vhg s ARG 149 Cb -0.13 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1vhg s ARG 149 CO -0.07 -0.99 -0.12 -0.46 0.02 0.00 0.00 175.30 173.69 1vhg s TRP 150 N 3.40 2.85 0.21 -0.53 -0.11 0.82 -4.86 118.94 120.73 1vhg s TRP 150 Ca 0.35 -1.16 -0.32 0.00 1.22 0.00 0.00 56.10 56.19 1vhg s TRP 150 Cb -0.12 -1.98 -0.12 0.00 -1.50 0.00 0.00 33.47 29.74 1vhg s TRP 150 CO 0.20 -0.59 1.69 -0.35 -4.62 0.00 0.00 176.95 173.27 1vhg n PRO 151 N 4.50 2.67 0.20 5.86 -0.04 -1.26 0.11 135.00 147.03 1vhg n PRO 151 Ca -0.19 0.96 0.05 0.00 -0.04 0.00 0.00 63.50 64.28 1vhg n PRO 151 Cb 0.51 -2.79 0.48 0.00 -0.04 0.00 0.00 33.50 31.66 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 6.40 0.06 -2.61 1.53 3.38 -1.56 -1.30 115.31 121.21 1vhg h LEU 152 Ca -0.44 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1vhg h LEU 152 Cb 1.21 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1vhg h LEU 152 CO 0.93 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 179.68 1vhg h ALA 153 N 1.78 1.07 -2.14 1.53 0.00 -1.80 -3.50 119.26 116.20 1vhg h ALA 153 Ca 0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.49 1vhg h ALA 153 Cb 0.32 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.97 1vhg h ALA 153 CO 0.02 0.01 -0.66 -1.01 0.00 0.00 0.00 179.25 177.61 1vhg s HIS 154 N -4.12 1.73 0.00 0.00 3.76 -0.49 -5.20 115.29 110.98 1vhg s HIS 154 Ca -0.04 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1vhg s HIS 154 Cb 0.13 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.81 1vhg s HIS 154 CO 0.46 0.09 0.00 -0.25 -0.85 0.00 0.00 174.74 174.19 1vhg n ASP 157 N -0.49 0.00 0.27 1.40 9.92 -1.26 -4.89 116.55 121.50 1vhg n ASP 157 Ca -0.05 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.38 1vhg n ASP 157 Cb 0.64 0.00 0.92 0.00 -0.64 0.00 0.00 41.12 42.04 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 -0.78 0.64 3.38 -1.98 -0.71 115.31 115.86 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 -0.07 0.09 0.00 0.00 178.44 178.46 1vhg h LEU 159 N 0.00 0.00 -0.03 1.67 4.07 -1.97 -2.08 115.31 116.97 1vhg h LEU 159 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1vhg h LEU 159 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1vhg h LEU 159 CO -0.00 0.00 -0.19 -0.62 -1.08 0.00 0.00 178.44 176.55 1vhg n GLU 160 N -2.31 0.10 -3.43 1.13 -0.58 -0.27 -4.77 120.64 110.50 1vhg n GLU 160 Ca 0.02 -0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.30 1vhg n GLU 160 Cb 0.23 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.92 6.13 0.50 1.62 3.68 -0.78 -4.97 116.67 119.93 1vhg s ASP 161 Ca 0.15 -0.87 0.21 0.00 2.13 0.00 0.00 52.55 54.17 1vhg s ASP 161 Cb 0.19 -2.18 1.28 0.00 -1.45 0.00 0.00 42.92 40.76 1vhg s ASP 161 CO 0.58 -0.49 2.01 -0.65 0.13 0.00 0.00 175.17 176.76 1vhg h PRO 162 N 8.66 0.11 0.00 4.34 0.11 -1.86 0.15 132.00 143.51 1vhg h PRO 162 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1vhg h PRO 162 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1vhg h PRO 162 CO 0.75 0.07 0.00 -0.44 -0.21 0.00 0.00 178.00 178.17 1vhg h ASP 163 N 0.11 0.00 0.00 -2.05 3.45 -1.91 -2.84 116.42 113.18 1vhg h ASP 163 Ca 0.22 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.58 1vhg h ASP 163 Cb 0.73 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1vhg h ASP 163 CO -0.02 0.00 -1.95 0.33 -1.57 0.00 0.00 179.24 176.02 1vhg n PHE 164 N -2.85 0.00 -1.67 4.55 -0.00 0.48 -0.76 117.46 117.21 1vhg n PHE 164 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.13 1vhg n PHE 164 Cb 0.16 -0.56 -0.07 0.00 -0.00 0.00 0.00 39.48 39.00 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 -2.30 2.52 -4.10 -2.13 3.02 -0.98 -4.59 115.26 106.70 1vhg n ASN 165 Ca -0.11 -2.65 -0.20 0.00 -0.03 0.00 0.00 54.58 51.59 1vhg n ASN 165 Cb 0.67 -1.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.19 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 6.52 0.95 0.29 3.52 -6.30 -1.26 -5.03 118.70 117.40 1vhg s GLU 166 Ca 0.68 -0.55 0.04 0.00 -2.50 0.00 0.00 54.97 52.64 1vhg s GLU 166 Cb 0.03 -0.93 0.75 0.00 0.00 0.00 0.00 34.13 33.98 1vhg s GLU 166 CO 0.16 0.25 1.67 0.00 0.02 0.00 0.00 175.26 177.35 1vhg h ALA 167 N 5.49 1.40 -0.28 6.30 0.00 -1.99 -1.24 119.26 128.94 1vhg h ALA 167 Ca -0.35 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1vhg h ALA 167 Cb 1.17 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1vhg h ALA 167 CO 0.47 -0.43 -0.00 0.00 0.00 0.00 0.00 179.25 179.29 1vhg h ARG 168 N 0.29 0.50 -0.38 0.00 3.08 -1.97 -2.12 114.38 113.78 1vhg h ARG 168 Ca 0.57 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.48 1vhg h ARG 168 Cb 1.15 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1vhg h ARG 168 CO -0.60 0.65 0.22 -0.91 -1.07 0.00 0.00 179.97 178.26 1vhg h ASN 169 N 0.28 0.35 -0.56 7.04 2.35 -1.60 -1.35 115.58 122.09 1vhg h ASN 169 Ca 0.08 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1vhg h ASN 169 Cb 0.43 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1vhg h ASN 169 CO 0.01 0.25 0.15 0.58 -1.65 0.00 0.00 177.43 176.78 1vhg h VAL 170 N 0.44 1.24 0.24 2.81 2.07 -1.25 0.59 116.25 122.39 1vhg h VAL 170 Ca 0.15 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1vhg h VAL 170 Cb 0.02 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1vhg h VAL 170 CO -0.08 0.31 -0.11 0.28 0.02 0.00 0.00 177.57 177.99 1vhg h SER 171 N 0.79 -0.27 -0.35 0.57 0.02 -1.26 -2.26 113.55 110.80 1vhg h SER 171 Ca 0.18 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1vhg h SER 171 Cb 0.32 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1vhg h SER 171 CO -0.00 -0.16 -0.09 0.00 -1.14 0.00 0.00 176.83 175.44 1vhg h ALA 172 N 0.40 0.23 -0.46 3.77 0.00 -0.92 -0.73 119.26 121.54 1vhg h ALA 172 Ca -0.03 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1vhg h ALA 172 Cb 0.27 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1vhg h ALA 172 CO 0.05 -0.46 0.07 1.25 0.00 0.00 0.00 179.25 180.16 1vhg h LEU 173 N -0.00 -0.04 -0.47 0.00 5.85 -0.68 -0.50 115.31 119.48 1vhg h LEU 173 Ca 0.17 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 1vhg h LEU 173 Cb 0.26 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1vhg h LEU 173 CO -0.36 0.01 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.16 1vhg h PHE 174 N 0.20 1.07 -0.13 1.25 -1.00 -0.85 -2.05 116.94 115.43 1vhg h PHE 174 Ca 0.23 -0.30 -0.13 0.00 2.81 0.00 0.00 57.97 60.58 1vhg h PHE 174 Cb 0.31 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1vhg h PHE 174 CO -0.23 1.11 -0.49 -0.07 -1.61 0.00 0.00 178.31 177.02 1vhg h LEU 175 N 0.76 0.37 -0.25 1.54 3.38 -0.92 0.14 115.31 120.33 1vhg h LEU 175 Ca 0.07 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 1vhg h LEU 175 Cb 0.91 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1vhg h LEU 175 CO 0.08 0.80 -0.75 0.58 0.09 0.00 0.00 178.44 179.25 1vhg h VAL 176 N 0.27 1.30 -0.59 1.22 2.07 -1.00 -0.59 116.25 118.94 1vhg h VAL 176 Ca 0.01 -2.00 -0.08 0.00 0.82 0.00 0.00 66.70 65.46 1vhg h VAL 176 Cb 0.96 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1vhg h VAL 176 CO 0.08 0.62 0.04 -0.09 0.02 0.00 0.00 177.57 178.25 1vhg h ARG 177 N 0.48 1.00 -0.39 1.57 2.43 -1.21 0.15 114.38 118.41 1vhg h ARG 177 Ca -0.04 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1vhg h ARG 177 Cb 1.36 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1vhg h ARG 177 CO 0.15 0.96 0.17 0.93 -1.51 0.00 0.00 179.97 180.66 1vhg h GLU 178 N 0.93 0.58 -0.46 0.20 4.39 -0.76 0.31 114.58 119.77 1vhg h GLU 178 Ca 0.18 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.81 1vhg h GLU 178 Cb 0.48 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1vhg h GLU 178 CO 0.02 0.53 0.25 2.35 -1.16 0.00 0.00 179.01 181.00 1vhg h TRP 179 N 0.49 0.47 -0.41 4.33 7.01 -0.75 -1.97 115.95 125.11 1vhg h TRP 179 Ca 0.13 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1vhg h TRP 179 Cb 0.16 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 1vhg h TRP 179 CO -0.01 0.25 0.24 -0.07 -2.79 0.00 0.00 178.44 176.07 1vhg h LEU 180 N 0.50 0.39 -0.50 0.65 4.07 -0.24 -2.61 115.31 117.58 1vhg h LEU 180 Ca 0.19 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.26 1vhg h LEU 180 Cb 0.06 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 41.63 1vhg h LEU 180 CO -0.11 0.28 -0.14 0.11 -1.08 0.00 0.00 178.44 177.50 1vhg h LYS 181 N 0.49 -0.02 -1.38 1.13 1.57 0.14 -1.74 116.57 116.75 1vhg h LYS 181 Ca 0.16 0.00 0.46 0.00 -1.87 0.00 0.00 60.65 59.40 1vhg h LYS 181 Cb 0.01 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.20 1vhg h LYS 181 CO -0.08 -0.02 0.90 0.78 -0.57 0.00 0.00 179.45 180.47 1vhg h GLY 182 N -0.02 1.24 -0.45 3.86 0.00 -0.96 0.38 103.07 107.11 1vhg h GLY 182 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1vhg h GLY 182 CO -0.52 -0.40 0.00 0.61 0.00 0.00 0.00 176.54 176.22 1vhg n GLN 183 N -4.66 2.50 -2.06 4.80 10.64 -0.73 -5.01 117.38 122.86 1vhg n GLN 183 Ca 0.39 -2.08 -0.20 0.00 -1.83 0.00 0.00 57.00 53.28 1vhg n GLN 183 Cb 1.51 -1.30 -0.04 0.00 -0.86 0.00 0.00 30.24 29.55 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 -0.57 0.50 1.13 2.61 0.00 0.13 -4.89 105.19 104.11 1vhg n GLY 184 Ca 0.09 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.72 2.78 0.00 1.61 1.85 -0.96 -4.97 116.66 114.25 1vhg n ARG 185 Ca -0.22 -1.91 0.00 0.00 -1.00 0.00 0.00 57.85 54.72 1vhg n ARG 185 Cb 0.67 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1vhg n ARG 185 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17