#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgi s ASP 12 N 0.00 5.55 0.22 1.69 1.01 -1.26 -4.82 116.67 119.06 1vgi s ASP 12 Ca 0.00 2.53 -0.08 0.00 0.71 0.00 0.00 52.55 55.71 1vgi s ASP 12 Cb 0.00 -2.62 0.30 0.00 1.01 0.00 0.00 42.92 41.62 1vgi s ASP 12 CO 0.00 -1.36 1.80 0.25 0.21 0.00 0.00 175.17 176.07 1vgi h LEU 13 N 1.53 0.53 -0.83 1.23 5.85 -1.90 -0.30 115.31 121.41 1vgi h LEU 13 Ca -0.50 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1vgi h LEU 13 Cb 1.28 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1vgi h LEU 13 CO 0.58 0.32 0.52 0.77 -0.34 0.00 0.00 178.44 180.28 1vgi h SER 14 N 0.66 0.83 -0.29 1.25 4.64 -1.88 0.12 113.55 118.88 1vgi h SER 14 Ca 0.33 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 1vgi h SER 14 Cb 0.29 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1vgi h SER 14 CO -0.23 0.54 -0.20 -0.33 -0.87 0.00 0.00 176.83 175.75 1vgi h GLU 15 N 0.97 0.64 -0.84 4.77 5.08 -1.75 -1.97 114.58 121.47 1vgi h GLU 15 Ca 0.35 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1vgi h GLU 15 Cb 0.11 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1vgi h GLU 15 CO -0.15 0.90 0.50 0.00 -1.00 0.00 0.00 179.01 179.26 1vgi h ALA 16 N 0.73 1.31 -0.23 3.43 0.00 -0.49 -1.04 119.26 122.96 1vgi h ALA 16 Ca 0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1vgi h ALA 16 Cb 0.74 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vgi h ALA 16 CO 0.05 0.59 -0.33 -0.07 0.00 0.00 0.00 179.25 179.50 1vgi h LEU 17 N 1.16 0.69 -0.44 0.00 3.38 -0.69 -0.09 115.31 119.31 1vgi h LEU 17 Ca 0.30 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1vgi h LEU 17 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1vgi h LEU 17 CO -0.06 1.07 0.25 0.50 0.09 0.00 0.00 178.44 180.29 1vgi h LYS 18 N 0.33 0.60 -0.64 1.13 3.64 -1.11 -1.23 116.57 119.30 1vgi h LYS 18 Ca 0.02 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1vgi h LYS 18 Cb 0.91 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1vgi h LYS 18 CO 0.08 0.46 0.08 0.93 -2.27 0.00 0.00 179.45 178.73 1vgi h GLU 19 N 0.58 1.07 0.00 1.90 4.39 -1.18 -1.16 114.58 120.18 1vgi h GLU 19 Ca 0.16 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1vgi h GLU 19 Cb 0.03 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1vgi h GLU 19 CO -0.03 1.00 -0.30 0.00 -1.16 0.00 0.00 179.01 178.52 1vgi h ALA 20 N 1.03 1.21 -0.04 3.43 0.00 -0.66 -3.26 119.26 120.96 1vgi h ALA 20 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vgi h ALA 20 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vgi h ALA 20 CO 0.02 0.38 0.00 0.25 0.00 0.00 0.00 179.25 179.90 1vgi n THR 21 N -3.76 0.10 -0.08 0.00 -2.24 -0.50 -4.64 114.28 103.16 1vgi n THR 21 Ca -0.01 -0.55 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1vgi n THR 21 Cb 0.40 1.14 0.35 0.00 -2.10 0.00 0.00 70.33 70.12 1vgi n THR 21 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1vgi h LYS 22 N 2.02 0.70 0.08 -0.78 2.10 -1.26 -0.08 116.57 119.36 1vgi h LYS 22 Ca 0.00 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1vgi h LYS 22 Cb 0.46 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1vgi h LYS 22 CO 0.00 0.48 -0.04 0.93 -2.00 0.00 0.00 179.45 178.82 1vgi h GLU 23 N 0.72 -0.10 0.00 0.07 5.08 -1.82 -2.96 114.58 115.57 1vgi h GLU 23 Ca 0.19 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1vgi h GLU 23 Cb -0.07 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1vgi h GLU 23 CO -0.04 0.42 -0.16 -0.24 -1.00 0.00 0.00 179.01 178.00 1vgi h VAL 24 N -0.72 0.60 -0.58 3.13 3.04 -1.83 -2.11 116.25 117.77 1vgi h VAL 24 Ca -0.01 -0.71 -0.08 0.00 -1.01 0.00 0.00 66.70 64.89 1vgi h VAL 24 Cb 0.57 1.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 1vgi h VAL 24 CO 0.02 0.15 0.06 -0.74 -1.01 0.00 0.00 177.57 176.05 1vgi h HIS 25 N 0.00 1.06 -0.80 3.17 -0.00 -1.01 0.09 115.15 117.67 1vgi h HIS 25 Ca -0.00 -0.16 0.03 0.00 -0.00 0.00 0.00 60.37 60.23 1vgi h HIS 25 Cb 0.45 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.52 1vgi h HIS 25 CO 0.00 0.94 0.51 0.82 -0.00 0.00 0.00 177.93 180.20 1vgi h ILE 26 N 0.89 1.13 -0.14 6.26 2.04 -1.21 0.82 117.51 127.29 1vgi h ILE 26 Ca 0.17 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1vgi h ILE 26 Cb 0.47 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1vgi h ILE 26 CO 0.02 0.18 -0.38 0.03 0.00 0.00 0.00 178.15 178.01 1vgi h ARG 27 N 1.01 0.30 -0.04 2.37 3.08 -1.25 -2.54 114.38 117.31 1vgi h ARG 27 Ca 0.32 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 1vgi h ARG 27 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1vgi h ARG 27 CO -0.11 0.64 -0.17 0.00 -1.07 0.00 0.00 179.97 179.26 1vgi h ALA 28 N 1.35 0.07 0.00 0.04 0.00 -0.25 -2.65 119.26 117.82 1vgi h ALA 28 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1vgi h ALA 28 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1vgi h ALA 28 CO 0.06 0.03 0.00 1.05 0.00 0.00 0.00 179.25 180.39 1vgi h GLU 29 N -0.39 0.00 -0.35 0.00 4.11 -0.87 -2.38 114.58 114.70 1vgi h GLU 29 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1vgi h GLU 29 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1vgi h GLU 29 CO 0.04 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.21 1vgi n ASN 30 N -2.35 3.61 -4.75 3.06 3.02 -0.96 -4.57 115.26 112.32 1vgi n ASN 30 Ca 0.01 -2.52 -0.33 0.00 -0.03 0.00 0.00 54.58 51.71 1vgi n ASN 30 Cb 0.21 -0.42 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1vgi n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vgi s SER 31 N -1.40 4.84 0.24 6.41 1.04 -0.90 -4.76 113.70 119.17 1vgi s SER 31 Ca 0.35 2.12 -0.05 0.00 0.48 0.00 0.00 55.95 58.86 1vgi s SER 31 Cb 0.25 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 64.25 1vgi s SER 31 CO 0.14 -1.81 1.72 -0.08 0.98 0.00 0.00 173.24 174.18 1vgi h GLU 32 N -0.02 0.38 -0.16 4.02 4.81 -1.90 0.19 114.58 121.90 1vgi h GLU 32 Ca -0.47 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1vgi h GLU 32 Cb 1.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1vgi h GLU 32 CO 0.53 0.25 0.06 0.35 -0.73 0.00 0.00 179.01 179.47 1vgi h PHE 33 N 0.39 0.25 0.00 0.92 3.57 -1.91 -0.77 116.94 119.39 1vgi h PHE 33 Ca 0.41 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1vgi h PHE 33 Cb 0.64 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1vgi h PHE 33 CO -0.19 0.32 -0.26 0.52 -2.23 0.00 0.00 178.31 176.47 1vgi h MET 34 N 0.10 0.00 -0.10 1.11 2.86 -1.75 -0.37 114.93 116.77 1vgi h MET 34 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1vgi h MET 34 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1vgi h MET 34 CO -0.00 0.26 -0.01 -0.09 1.06 0.00 0.00 176.91 178.12 1vgi h ARG 35 N 0.00 0.19 -0.54 1.72 2.43 -0.56 -0.32 114.38 117.31 1vgi h ARG 35 Ca -0.00 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1vgi h ARG 35 Cb 0.46 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1vgi h ARG 35 CO 0.03 0.47 0.03 -0.91 -1.51 0.00 0.00 179.97 178.09 1vgi h ASN 36 N -0.11 0.86 -0.07 -3.80 -0.26 -0.83 -2.48 115.58 108.88 1vgi h ASN 36 Ca 0.03 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1vgi h ASN 36 Cb 0.39 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1vgi h ASN 36 CO 0.01 0.90 0.03 0.15 -1.06 0.00 0.00 177.43 177.46 1vgi h PHE 37 N 0.83 0.11 0.00 1.19 3.04 -0.93 -1.06 116.94 120.12 1vgi h PHE 37 Ca 0.16 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1vgi h PHE 37 Cb 0.45 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1vgi h PHE 37 CO 0.03 0.23 0.00 1.96 -2.02 0.00 0.00 178.31 178.50 1vgi h GLN 38 N -0.04 0.00 -0.50 1.11 4.20 -0.88 0.14 115.11 119.14 1vgi h GLN 38 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1vgi h GLN 38 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1vgi h GLN 38 CO -0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 1vgi n LYS 39 N -2.45 2.55 -2.50 1.46 5.02 -0.73 -4.95 118.16 116.56 1vgi n LYS 39 Ca -0.01 -2.37 -0.20 0.00 -2.02 0.00 0.00 58.31 53.70 1vgi n LYS 39 Cb 0.08 -1.53 -0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1vgi n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vgi n GLY 40 N 1.55 -0.46 1.10 0.72 0.00 0.48 -4.88 105.19 103.70 1vgi n GLY 40 Ca 0.21 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1vgi n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vgi n GLN 41 N -3.12 2.46 -3.55 1.61 6.02 -0.48 -4.91 117.38 115.41 1vgi n GLN 41 Ca -0.21 -2.26 -0.36 0.00 -0.01 0.00 0.00 57.00 54.15 1vgi n GLN 41 Cb 0.67 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.37 1vgi n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1vgi s VAL 42 N -1.33 5.31 0.32 5.09 0.11 -1.26 -4.97 120.40 123.68 1vgi s VAL 42 Ca 0.37 0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1vgi s VAL 42 Cb 0.21 -3.62 0.06 0.00 -1.53 0.00 0.00 36.38 31.51 1vgi s VAL 42 CO 0.29 0.38 0.44 -1.54 -3.33 0.00 0.00 175.10 171.34 1vgi n SER 43 N 3.72 0.56 -0.29 3.54 3.41 -1.26 -4.86 113.62 118.45 1vgi n SER 43 Ca -0.12 -1.48 0.04 0.00 -0.26 0.00 0.00 58.87 57.05 1vgi n SER 43 Cb 0.52 -0.29 0.19 0.00 -0.26 0.00 0.00 64.21 64.37 1vgi n SER 43 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1vgi h ARG 44 N 0.00 0.68 -0.20 4.33 2.43 -1.98 -1.62 114.38 118.03 1vgi h ARG 44 Ca -0.14 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1vgi h ARG 44 Cb 0.53 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1vgi h ARG 44 CO 0.15 0.45 0.01 1.49 -1.51 0.00 0.00 179.97 180.57 1vgi h GLU 45 N 0.70 0.08 -0.48 0.20 4.81 -1.99 0.71 114.58 118.60 1vgi h GLU 45 Ca 0.42 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.54 1vgi h GLU 45 Cb 0.48 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1vgi h GLU 45 CO -0.30 0.05 -0.11 0.78 -0.73 0.00 0.00 179.01 178.71 1vgi h GLY 46 N 0.08 1.00 1.03 1.92 0.00 -1.80 -2.35 103.07 102.95 1vgi h GLY 46 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 1vgi h GLY 46 CO -0.14 0.75 0.15 -2.75 0.00 0.00 0.00 176.54 174.55 1vgi h PHE 47 N 0.78 1.06 -0.35 5.60 3.57 -1.05 -1.78 116.94 124.76 1vgi h PHE 47 Ca 0.12 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1vgi h PHE 47 Cb 0.66 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1vgi h PHE 47 CO 0.05 0.88 -0.05 0.87 -2.23 0.00 0.00 178.31 177.83 1vgi h LYS 48 N 0.92 0.57 -0.02 1.11 1.57 -0.79 -1.18 116.57 118.75 1vgi h LYS 48 Ca 0.20 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1vgi h LYS 48 Cb 0.36 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1vgi h LYS 48 CO 0.00 0.63 0.00 1.25 -0.57 0.00 0.00 179.45 180.76 1vgi h LEU 49 N 0.53 0.03 -0.40 2.94 6.46 -0.98 -1.73 115.31 122.16 1vgi h LEU 49 Ca 0.11 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.52 1vgi h LEU 49 Cb 0.42 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1vgi h LEU 49 CO 0.02 0.29 -0.04 1.62 -0.62 0.00 0.00 178.44 179.71 1vgi h VAL 50 N -0.23 1.27 -0.32 1.05 3.04 -1.18 -2.14 116.25 117.74 1vgi h VAL 50 Ca 0.01 -1.09 -0.05 0.00 -1.01 0.00 0.00 66.70 64.55 1vgi h VAL 50 Cb 0.27 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 1vgi h VAL 50 CO 0.00 0.37 -0.04 0.24 -1.01 0.00 0.00 177.57 177.13 1vgi h MET 51 N 0.55 0.50 -0.42 4.17 2.86 -1.23 -0.77 114.93 120.60 1vgi h MET 51 Ca 0.11 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1vgi h MET 51 Cb 0.54 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1vgi h MET 51 CO 0.03 0.56 -0.20 0.00 1.06 0.00 0.00 176.91 178.35 1vgi h ALA 52 N 1.49 0.85 -0.64 6.32 0.00 -1.19 -1.07 119.26 125.03 1vgi h ALA 52 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1vgi h ALA 52 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1vgi h ALA 52 CO 0.02 0.64 0.09 0.77 0.00 0.00 0.00 179.25 180.77 1vgi h SER 53 N 0.73 1.03 0.15 0.00 0.02 -0.67 -2.45 113.55 112.35 1vgi h SER 53 Ca 0.10 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1vgi h SER 53 Cb 0.72 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1vgi h SER 53 CO 0.06 1.03 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.45 1vgi h LEU 54 N 0.98 0.19 -0.40 5.07 3.38 -0.86 -1.81 115.31 121.86 1vgi h LEU 54 Ca 0.19 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1vgi h LEU 54 Cb 0.45 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1vgi h LEU 54 CO 0.01 0.45 0.22 0.22 0.09 0.00 0.00 178.44 179.43 1vgi h TYR 55 N 0.17 0.41 -0.53 1.13 3.20 -0.72 0.59 116.97 121.22 1vgi h TYR 55 Ca 0.03 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1vgi h TYR 55 Cb 0.55 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1vgi h TYR 55 CO 0.01 0.23 0.02 0.45 -1.64 0.00 0.00 178.16 177.23 1vgi h HIS 56 N 0.45 1.01 0.10 -3.82 3.86 -1.25 -1.71 115.15 113.78 1vgi h HIS 56 Ca 0.16 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1vgi h HIS 56 Cb 0.03 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.24 1vgi h HIS 56 CO -0.08 0.92 -0.05 0.82 0.86 0.00 0.00 177.93 180.40 1vgi h ILE 57 N 0.81 1.07 -0.06 2.45 2.04 -1.05 -2.19 117.51 120.56 1vgi h ILE 57 Ca 0.15 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 1vgi h ILE 57 Cb 0.50 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1vgi h ILE 57 CO 0.02 0.16 -0.31 1.88 0.00 0.00 0.00 178.15 179.90 1vgi h TYR 58 N -0.44 0.13 -0.33 1.37 0.05 -0.94 -0.24 116.97 116.58 1vgi h TYR 58 Ca -0.01 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1vgi h TYR 58 Cb 0.36 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1vgi h TYR 58 CO 0.02 0.42 0.15 1.15 -1.05 0.00 0.00 178.16 178.86 1vgi h THR 59 N 0.11 1.16 -0.31 -2.88 2.02 -1.24 0.41 112.91 112.18 1vgi h THR 59 Ca 0.01 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1vgi h THR 59 Cb 0.61 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1vgi h THR 59 CO 0.04 0.17 -0.03 0.00 0.37 0.00 0.00 175.52 176.08 1vgi h ALA 60 N 1.01 0.42 -0.35 6.16 0.00 -1.02 -1.69 119.26 123.79 1vgi h ALA 60 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1vgi h ALA 60 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1vgi h ALA 60 CO -0.01 0.20 0.21 1.25 0.00 0.00 0.00 179.25 180.90 1vgi h LEU 61 N 0.35 0.34 -0.86 0.00 5.85 -0.88 -1.96 115.31 118.16 1vgi h LEU 61 Ca 0.08 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1vgi h LEU 61 Cb 0.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1vgi h LEU 61 CO 0.02 0.25 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.70 1vgi h GLU 62 N 0.43 0.00 -0.41 1.25 5.08 -0.89 -0.55 114.58 119.49 1vgi h GLU 62 Ca 0.14 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 1vgi h GLU 62 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1vgi h GLU 62 CO -0.06 0.34 -0.34 1.49 -1.00 0.00 0.00 179.01 179.44 1vgi h GLU 63 N 0.00 0.96 -0.04 2.33 4.81 -1.05 -1.14 114.58 120.46 1vgi h GLU 63 Ca -0.00 -0.48 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 1vgi h GLU 63 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1vgi h GLU 63 CO 0.04 1.15 -0.69 0.93 -0.73 0.00 0.00 179.01 179.71 1vgi h GLU 64 N 0.80 0.21 -0.42 1.92 4.39 -1.00 -1.81 114.58 118.67 1vgi h GLU 64 Ca 0.07 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1vgi h GLU 64 Cb 0.94 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1vgi h GLU 64 CO 0.09 0.82 0.03 0.82 -1.16 0.00 0.00 179.01 179.61 1vgi h ILE 65 N 0.15 1.25 -0.76 3.13 2.04 -0.95 -1.52 117.51 120.85 1vgi h ILE 65 Ca -0.02 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1vgi h ILE 65 Cb 1.23 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1vgi h ILE 65 CO 0.11 0.33 0.39 -0.33 0.00 0.00 0.00 178.15 178.65 1vgi h GLU 66 N 0.56 1.08 -0.30 2.37 4.39 -1.11 0.24 114.58 121.82 1vgi h GLU 66 Ca 0.12 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1vgi h GLU 66 Cb 0.44 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1vgi h GLU 66 CO 0.02 0.82 0.09 -0.09 -1.16 0.00 0.00 179.01 178.68 1vgi h ARG 67 N 1.06 0.42 -0.30 2.33 2.43 -1.04 -2.97 114.38 116.31 1vgi h ARG 67 Ca 0.26 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1vgi h ARG 67 Cb 0.08 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1vgi h ARG 67 CO -0.04 0.39 0.00 0.09 -1.51 0.00 0.00 179.97 178.90 1vgi n ASN 68 N -4.38 3.62 -0.18 -3.80 4.13 -0.60 -4.73 115.26 109.32 1vgi n ASN 68 Ca 0.01 -2.67 0.11 0.00 1.68 0.00 0.00 54.58 53.72 1vgi n ASN 68 Cb 0.16 -0.44 0.43 0.00 -1.54 0.00 0.00 39.78 38.39 1vgi n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1vgi h LYS 69 N 1.96 0.55 -0.00 3.52 2.10 -0.37 -1.21 116.57 123.12 1vgi h LYS 69 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1vgi h LYS 69 Cb 1.22 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1vgi h LYS 69 CO 0.16 0.36 -0.25 1.04 -2.00 0.00 0.00 179.45 178.76 1vgi n GLN 70 N -4.50 0.23 -2.50 0.07 1.13 -1.26 -3.97 117.38 106.58 1vgi n GLN 70 Ca 0.13 -0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.67 1vgi n GLN 70 Cb 0.40 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 1vgi n GLN 70 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1vgi s ASN 71 N -2.83 7.02 0.62 1.08 3.84 -0.46 -4.86 114.94 119.34 1vgi s ASN 71 Ca 0.17 1.64 0.30 0.00 0.21 0.00 0.00 52.86 55.18 1vgi s ASN 71 Cb 0.19 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.96 1vgi s ASN 71 CO 0.58 -0.69 1.90 -0.65 -2.79 0.00 0.00 177.10 175.46 1vgi h PRO 72 N 7.82 0.00 0.00 0.43 0.11 -1.88 0.25 132.00 138.73 1vgi h PRO 72 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1vgi h PRO 72 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1vgi h PRO 72 CO 0.95 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 180.07 1vgi n VAL 73 N -2.80 0.14 0.00 3.15 0.24 -1.26 -4.22 118.33 113.59 1vgi n VAL 73 Ca -0.02 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1vgi n VAL 73 Cb 0.32 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1vgi n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vgi n TYR 74 N -1.26 0.00 -0.18 6.34 9.36 0.03 -4.75 117.16 126.71 1vgi n TYR 74 Ca 0.13 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.39 1vgi n TYR 74 Cb 0.20 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 38.98 1vgi n TYR 74 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vgi n ALA 75 N -1.36 0.13 0.31 2.98 0.00 0.67 -0.15 120.51 123.09 1vgi n ALA 75 Ca 0.00 0.55 0.18 0.00 0.00 0.00 0.00 53.44 54.17 1vgi n ALA 75 Cb 0.02 -0.34 0.94 0.00 0.00 0.00 0.00 19.45 20.08 1vgi n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1vgi h PRO 76 N 0.00 0.00 -0.64 0.00 0.11 -1.86 -0.45 132.00 129.16 1vgi h PRO 76 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1vgi h PRO 76 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1vgi h PRO 76 CO -0.51 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.56 1vgi n LEU 77 N -3.10 4.44 -4.55 2.35 4.77 0.79 -4.90 117.00 116.79 1vgi n LEU 77 Ca -0.01 -2.33 -0.40 0.00 -0.03 0.00 0.00 56.01 53.23 1vgi n LEU 77 Cb 0.29 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1vgi n LEU 77 CO 0.18 0.85 1.29 -0.47 -1.33 0.00 0.00 177.39 177.91 1vgi s TYR 78 N -1.62 2.27 -0.52 -1.77 5.04 -0.18 -4.87 117.35 115.71 1vgi s TYR 78 Ca 0.49 -0.16 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 1vgi s TYR 78 Cb 0.30 -4.58 0.34 0.00 0.35 0.00 0.00 41.96 38.37 1vgi s TYR 78 CO 0.26 -2.05 0.87 1.19 -1.34 0.00 0.00 175.55 174.48 1vgi n PHE 79 N 9.71 2.88 -0.25 4.97 3.72 -1.26 -4.96 117.46 132.28 1vgi n PHE 79 Ca 0.14 -3.95 -0.02 0.00 -0.05 0.00 0.00 57.45 53.57 1vgi n PHE 79 Cb 0.50 -0.47 0.09 0.00 -0.94 0.00 0.00 39.48 38.66 1vgi n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1vgi h PRO 80 N 3.06 0.78 -0.62 -1.08 0.13 -1.97 -0.70 132.00 131.60 1vgi h PRO 80 Ca 0.12 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1vgi h PRO 80 Cb 0.65 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1vgi h PRO 80 CO 0.73 0.52 0.32 1.49 -0.23 0.00 0.00 178.00 180.82 1vgi h GLU 81 N 0.80 0.89 0.17 0.86 4.57 -1.93 -2.36 114.58 117.58 1vgi h GLU 81 Ca 0.30 -0.12 -0.27 0.00 -1.18 0.00 0.00 59.36 58.09 1vgi h GLU 81 Cb 0.11 -0.17 0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1vgi h GLU 81 CO -0.15 0.70 -1.15 0.93 -1.18 0.00 0.00 179.01 178.16 1vgi h GLU 82 N 0.86 0.48 0.00 1.92 3.07 -1.85 -3.44 114.58 115.61 1vgi h GLU 82 Ca 0.22 -0.74 -0.28 0.00 -0.50 0.00 0.00 59.36 58.05 1vgi h GLU 82 Cb 0.09 0.27 -0.05 0.00 -0.84 0.00 0.00 28.75 28.21 1vgi h GLU 82 CO -0.03 1.34 -2.07 1.28 -1.40 0.00 0.00 179.01 178.13 1vgi n LEU 83 N -3.91 2.26 -4.58 1.33 4.77 -0.28 -4.72 117.00 111.88 1vgi n LEU 83 Ca -0.15 -0.08 -0.48 0.00 -0.03 0.00 0.00 56.01 55.28 1vgi n LEU 83 Cb 0.96 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1vgi n LEU 83 CO 0.55 0.71 0.70 1.41 -1.33 0.00 0.00 177.39 179.43 1vgi n HIS 84 N -2.94 1.32 0.52 -1.77 8.25 -0.89 -4.92 115.22 114.80 1vgi n HIS 84 Ca -0.32 0.67 0.05 0.00 -0.26 0.00 0.00 57.72 57.87 1vgi n HIS 84 Cb 0.89 -2.28 -0.07 0.00 1.12 0.00 0.00 29.99 29.66 1vgi n HIS 84 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1vgi n ARG 85 N 1.56 3.14 -0.19 -0.41 5.12 -1.26 -4.72 116.66 119.90 1vgi n ARG 85 Ca 0.14 -0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1vgi n ARG 85 Cb 0.26 -1.05 0.10 0.00 -1.16 0.00 0.00 32.46 30.62 1vgi n ARG 85 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1vgi h ARG 86 N 0.00 0.26 -0.40 5.56 2.43 -1.91 0.64 114.38 120.96 1vgi h ARG 86 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1vgi h ARG 86 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1vgi h ARG 86 CO 0.00 0.17 0.25 0.00 -1.51 0.00 0.00 179.97 178.88 1vgi h ALA 87 N 1.45 0.51 -0.47 2.80 0.00 -2.00 -0.36 119.26 121.19 1vgi h ALA 87 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vgi h ALA 87 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1vgi h ALA 87 CO -0.38 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.15 1vgi h ALA 88 N 1.13 0.60 -0.38 0.00 0.00 -1.69 -2.39 119.26 116.53 1vgi h ALA 88 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1vgi h ALA 88 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1vgi h ALA 88 CO -0.03 0.09 0.10 -0.07 0.00 0.00 0.00 179.25 179.34 1vgi h LEU 89 N 0.63 0.51 -0.95 0.00 3.38 -0.48 -0.26 115.31 118.15 1vgi h LEU 89 Ca 0.17 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1vgi h LEU 89 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1vgi h LEU 89 CO -0.03 0.51 -0.01 -0.33 0.09 0.00 0.00 178.44 178.67 1vgi h GLU 90 N 0.55 0.76 -0.25 1.13 5.08 -0.65 0.22 114.58 121.42 1vgi h GLU 90 Ca 0.13 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1vgi h GLU 90 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1vgi h GLU 90 CO -0.01 0.77 -0.13 1.96 -1.00 0.00 0.00 179.01 180.61 1vgi h GLN 91 N 0.71 0.52 -0.64 2.33 1.08 -0.81 -2.20 115.11 116.11 1vgi h GLN 91 Ca 0.14 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1vgi h GLN 91 Cb 0.45 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1vgi h GLN 91 CO 0.02 0.79 0.16 -0.44 -0.95 0.00 0.00 178.83 178.41 1vgi h ASP 92 N 0.24 0.94 -0.64 1.46 3.45 -0.77 -1.81 116.42 119.28 1vgi h ASP 92 Ca 0.05 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.27 1vgi h ASP 92 Cb 0.64 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.14 1vgi h ASP 92 CO 0.04 0.90 0.19 0.24 -1.57 0.00 0.00 179.24 179.04 1vgi h MET 93 N 0.95 1.03 -0.42 3.56 2.86 -0.47 -0.49 114.93 121.95 1vgi h MET 93 Ca 0.20 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1vgi h MET 93 Cb 0.33 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1vgi h MET 93 CO -0.00 0.89 -0.08 0.00 1.06 0.00 0.00 176.91 178.78 1vgi h ALA 94 N 1.21 1.07 0.04 6.32 0.00 -1.05 0.25 119.26 127.10 1vgi h ALA 94 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vgi h ALA 94 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vgi h ALA 94 CO -0.00 0.57 -0.02 0.35 0.00 0.00 0.00 179.25 180.15 1vgi h PHE 95 N 0.67 -0.04 0.12 0.00 3.57 -0.74 0.62 116.94 121.14 1vgi h PHE 95 Ca 0.12 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.35 1vgi h PHE 95 Cb 0.53 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1vgi h PHE 95 CO 0.03 0.32 -1.26 -1.49 -2.23 0.00 0.00 178.31 173.68 1vgi h TRP 96 N -0.41 0.46 0.00 0.41 4.06 -1.07 -3.37 115.95 116.02 1vgi h TRP 96 Ca -0.00 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1vgi h TRP 96 Cb 0.38 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 1vgi h TRP 96 CO 0.05 1.27 -0.72 0.66 -3.56 0.00 0.00 178.44 176.14 1vgi n TYR 97 N -3.51 0.00 -0.52 0.49 4.01 0.86 -5.09 117.16 113.40 1vgi n TYR 97 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1vgi n TYR 97 Cb 1.02 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 1vgi n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vgi n GLY 98 N 1.36 -2.96 0.39 2.72 0.00 0.21 -4.27 105.19 102.63 1vgi n GLY 98 Ca 0.03 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.43 1vgi n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vgi h PRO 99 N 0.00 0.50 -0.90 1.61 0.11 -1.92 -2.33 132.00 129.07 1vgi h PRO 99 Ca 0.00 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.54 1vgi h PRO 99 Cb 0.00 -0.11 -0.29 0.00 0.11 0.00 0.00 31.00 30.71 1vgi h PRO 99 CO 0.00 0.33 0.55 0.72 -0.21 0.00 0.00 178.00 179.39 1vgi n HIS 100 N -4.60 2.87 -0.06 0.65 8.25 -1.26 -4.66 115.22 116.40 1vgi n HIS 100 Ca 0.22 -2.31 0.16 0.00 -0.26 0.00 0.00 57.72 55.53 1vgi n HIS 100 Cb 0.70 -1.05 0.58 0.00 1.12 0.00 0.00 29.99 31.34 1vgi n HIS 100 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1vgi h TRP 101 N 1.48 0.26 -0.83 4.41 5.08 -1.60 -2.89 115.95 121.86 1vgi h TRP 101 Ca 0.56 0.01 0.14 0.00 1.08 0.00 0.00 58.89 60.67 1vgi h TRP 101 Cb 1.82 -0.08 -0.14 0.00 -3.00 0.00 0.00 29.16 27.76 1vgi h TRP 101 CO 1.42 0.11 -0.36 0.37 -1.28 0.00 0.00 178.44 178.70 1vgi h GLN 102 N 0.23 -0.06 -0.62 0.12 5.75 -1.87 0.89 115.11 119.55 1vgi h GLN 102 Ca 0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1vgi h GLN 102 Cb 0.81 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1vgi h GLN 102 CO -0.06 -0.04 0.00 -0.85 -2.65 0.00 0.00 178.83 175.23 1vgi n GLU 103 N -5.46 4.43 -0.05 1.69 0.00 -1.09 -4.35 120.64 115.80 1vgi n GLU 103 Ca 0.08 -2.97 -0.07 0.00 0.00 0.00 0.00 57.16 54.20 1vgi n GLU 103 Cb 0.39 -2.13 -0.05 0.00 0.00 0.00 0.00 31.44 29.64 1vgi n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vgi n ALA 104 N 0.77 1.77 -1.77 -1.84 0.00 0.21 -5.04 120.51 114.62 1vgi n ALA 104 Ca 0.26 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 1vgi n ALA 104 Cb 1.08 0.20 -0.01 0.00 0.00 0.00 0.00 19.45 20.72 1vgi n ALA 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1vgi s ILE 105 N -2.21 2.47 0.67 0.00 -4.36 -0.59 -5.01 121.20 112.16 1vgi s ILE 105 Ca -0.12 0.45 -0.11 0.00 -0.26 0.00 0.00 60.65 60.61 1vgi s ILE 105 Cb 0.03 -3.28 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1vgi s ILE 105 CO 0.28 0.09 1.06 -2.16 0.24 0.00 0.00 174.94 174.45 1vgi s PRO 106 N -2.08 3.13 -0.40 0.37 0.04 -1.26 -5.05 135.00 129.75 1vgi s PRO 106 Ca 0.54 0.71 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1vgi s PRO 106 Cb -0.41 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 32.26 1vgi s PRO 106 CO 0.54 -0.90 0.31 -0.47 0.04 0.00 0.00 177.00 176.52 1vgi s TYR 107 N -3.19 1.07 0.74 0.56 5.04 -1.26 -4.65 117.35 115.66 1vgi s TYR 107 Ca 0.57 -2.16 -0.13 0.00 -2.44 0.00 0.00 57.07 52.91 1vgi s TYR 107 Cb -0.12 -0.99 0.04 0.00 0.35 0.00 0.00 41.96 41.24 1vgi s TYR 107 CO 0.54 -0.82 1.14 0.95 -1.34 0.00 0.00 175.55 176.02 1vgi s THR 108 N 0.31 2.82 0.23 4.34 -4.23 -1.26 -4.80 115.64 113.05 1vgi s THR 108 Ca 0.28 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1vgi s THR 108 Cb -0.05 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.18 1vgi s THR 108 CO -0.13 -0.27 1.83 -0.65 -0.54 0.00 0.00 174.62 174.86 1vgi h PRO 109 N -0.56 0.83 -0.27 3.99 0.11 -2.00 0.23 132.00 134.33 1vgi h PRO 109 Ca -0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1vgi h PRO 109 Cb 1.26 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1vgi h PRO 109 CO 0.50 0.55 -0.05 0.00 -0.21 0.00 0.00 178.00 178.79 1vgi h ALA 110 N 1.38 1.40 -0.34 -0.75 0.00 -1.92 -0.17 119.26 118.86 1vgi h ALA 110 Ca 0.35 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1vgi h ALA 110 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vgi h ALA 110 CO -0.18 0.41 -0.47 1.15 0.00 0.00 0.00 179.25 180.16 1vgi h THR 111 N 0.41 1.27 -0.70 0.00 2.02 -1.58 -2.45 112.91 111.88 1vgi h THR 111 Ca 0.09 -1.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.56 1vgi h THR 111 Cb 0.36 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1vgi h THR 111 CO 0.02 0.55 0.23 1.56 0.37 0.00 0.00 175.52 178.24 1vgi h GLN 112 N 0.72 1.08 -0.60 6.66 4.20 -0.36 -1.15 115.11 125.66 1vgi h GLN 112 Ca 0.04 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1vgi h GLN 112 Cb 1.08 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1vgi h GLN 112 CO 0.11 0.91 0.29 1.25 -0.67 0.00 0.00 178.83 180.72 1vgi h HIS 113 N 1.04 0.87 0.25 2.96 2.76 -0.95 0.43 115.15 122.51 1vgi h HIS 113 Ca 0.23 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1vgi h HIS 113 Cb 0.28 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1vgi h HIS 113 CO 0.02 0.66 -0.12 -0.92 -1.30 0.00 0.00 177.93 176.27 1vgi h TYR 114 N 0.82 -0.31 -0.96 5.26 5.03 -1.06 -2.23 116.97 123.53 1vgi h TYR 114 Ca 0.21 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.61 1vgi h TYR 114 Cb 0.12 0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.43 1vgi h TYR 114 CO -0.00 -0.11 0.60 0.28 -1.32 0.00 0.00 178.16 177.61 1vgi h VAL 115 N -0.45 0.96 -0.22 1.81 2.07 -1.06 -1.12 116.25 118.24 1vgi h VAL 115 Ca -0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1vgi h VAL 115 Cb 0.34 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1vgi h VAL 115 CO 0.06 0.18 0.12 0.50 0.02 0.00 0.00 177.57 178.45 1vgi h LYS 116 N 0.99 0.24 -0.72 1.57 3.64 -0.69 -1.06 116.57 120.55 1vgi h LYS 116 Ca 0.45 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1vgi h LYS 116 Cb 0.37 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1vgi h LYS 116 CO -0.23 0.16 0.26 -0.09 -2.27 0.00 0.00 179.45 177.27 1vgi h ARG 117 N 0.25 1.09 -0.71 1.90 9.65 -0.76 -1.20 114.38 124.60 1vgi h ARG 117 Ca 0.08 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1vgi h ARG 117 Cb 0.00 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.37 1vgi h ARG 117 CO -0.05 0.91 0.45 -0.07 2.80 0.00 0.00 179.97 184.01 1vgi h LEU 118 N 1.06 0.75 -0.83 3.80 3.38 -0.70 0.58 115.31 123.34 1vgi h LEU 118 Ca 0.24 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 1vgi h LEU 118 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1vgi h LEU 118 CO -0.01 0.52 -0.55 0.45 0.09 0.00 0.00 178.44 178.94 1vgi h HIS 119 N 0.89 0.11 -0.29 1.13 3.86 -0.83 -0.18 115.15 119.83 1vgi h HIS 119 Ca 0.28 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 1vgi h HIS 119 Cb -0.01 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1vgi h HIS 119 CO -0.04 0.62 -0.07 0.93 0.86 0.00 0.00 177.93 180.23 1vgi h GLU 120 N 0.07 0.56 0.12 2.45 5.08 -0.42 0.07 114.58 122.50 1vgi h GLU 120 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1vgi h GLU 120 Cb 1.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1vgi h GLU 120 CO 0.08 0.76 -0.06 0.28 -1.00 0.00 0.00 179.01 179.07 1vgi h VAL 121 N 0.32 1.00 -0.49 3.13 2.07 -0.79 0.18 116.25 121.68 1vgi h VAL 121 Ca 0.07 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1vgi h VAL 121 Cb 0.55 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1vgi h VAL 121 CO 0.03 0.11 0.19 1.23 0.02 0.00 0.00 177.57 179.14 1vgi h GLY 122 N -0.36 0.76 0.98 2.17 0.00 -1.02 0.65 103.07 106.25 1vgi h GLY 122 Ca -0.02 -0.38 -0.27 0.00 0.00 0.00 0.00 47.33 46.67 1vgi h GLY 122 CO 0.03 0.36 -1.65 0.61 0.00 0.00 0.00 176.54 175.88 1vgi n GLY 123 N -1.09 -1.04 0.01 4.60 0.00 0.01 -4.42 105.19 103.26 1vgi n GLY 123 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1vgi n GLY 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vgi n THR 124 N -3.01 0.18 -2.83 2.61 -1.04 0.63 -4.84 114.28 105.98 1vgi n THR 124 Ca -0.15 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.54 1vgi n THR 124 Cb 1.01 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 1vgi n THR 124 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1vgi n HIS 125 N -2.13 2.38 0.06 -1.42 8.25 0.02 -4.94 115.22 117.44 1vgi n HIS 125 Ca -0.04 -3.49 0.21 0.00 -0.26 0.00 0.00 57.72 54.14 1vgi n HIS 125 Cb 0.58 -0.35 0.70 0.00 1.12 0.00 0.00 29.99 32.05 1vgi n HIS 125 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1vgi h PRO 126 N 2.89 0.00 0.00 -0.41 0.13 -1.21 0.84 132.00 134.24 1vgi h PRO 126 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vgi h PRO 126 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1vgi h PRO 126 CO 0.69 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 1vgi n GLU 127 N -3.58 0.16 0.00 0.86 0.00 -1.26 -1.34 120.64 115.47 1vgi n GLU 127 Ca 0.09 0.53 0.12 0.00 0.00 0.00 0.00 57.16 57.90 1vgi n GLU 127 Cb 0.74 -1.91 0.05 0.00 0.00 0.00 0.00 31.44 30.33 1vgi n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1vgi n LEU 128 N -2.23 2.56 0.06 -1.84 4.77 0.29 -4.42 117.00 116.19 1vgi n LEU 128 Ca 0.00 -0.89 0.05 0.00 -0.03 0.00 0.00 56.01 55.14 1vgi n LEU 128 Cb 0.13 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.69 1vgi n LEU 128 CO 0.14 0.45 1.13 0.25 -1.33 0.00 0.00 177.39 178.03 1vgi h LEU 129 N 3.69 0.36 -1.78 2.23 5.85 -1.32 -1.29 115.31 123.05 1vgi h LEU 129 Ca 0.00 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1vgi h LEU 129 Cb 0.89 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1vgi h LEU 129 CO 0.00 0.27 0.32 1.62 -0.34 0.00 0.00 178.44 180.30 1vgi h VAL 130 N 0.42 0.90 -0.83 1.05 3.04 -1.77 -1.04 116.25 118.01 1vgi h VAL 130 Ca 0.11 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.70 1vgi h VAL 130 Cb -0.04 0.61 -0.04 0.00 -2.01 0.00 0.00 31.29 29.82 1vgi h VAL 130 CO -0.02 0.05 0.44 0.00 -1.01 0.00 0.00 177.57 177.03 1vgi h ALA 131 N 1.76 1.07 -0.02 3.17 0.00 -1.51 -0.59 119.26 123.13 1vgi h ALA 131 Ca 0.21 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1vgi h ALA 131 Cb 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vgi h ALA 131 CO -0.04 0.59 -0.88 0.45 0.00 0.00 0.00 179.25 179.36 1vgi h HIS 132 N 1.16 0.61 -0.28 0.00 -0.00 -1.30 -2.01 115.15 113.32 1vgi h HIS 132 Ca 0.29 -0.31 -0.10 0.00 -0.00 0.00 0.00 60.37 60.25 1vgi h HIS 132 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1vgi h HIS 132 CO 0.01 1.12 -0.21 0.00 -0.00 0.00 0.00 177.93 178.85 1vgi h ALA 133 N 0.78 0.40 0.12 2.45 0.00 -1.27 -2.20 119.26 119.55 1vgi h ALA 133 Ca -0.07 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1vgi h ALA 133 Cb 1.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1vgi h ALA 133 CO 0.15 0.34 -0.20 -0.92 0.00 0.00 0.00 179.25 178.63 1vgi h TYR 134 N 0.36 -0.52 -0.59 0.00 3.20 -1.13 0.68 116.97 118.97 1vgi h TYR 134 Ca 0.05 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1vgi h TYR 134 Cb 0.75 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 1vgi h TYR 134 CO 0.07 -0.29 0.32 1.15 -1.64 0.00 0.00 178.16 177.77 1vgi h THR 135 N -0.39 0.97 0.17 1.81 2.02 -1.33 -2.10 112.91 114.06 1vgi h THR 135 Ca 0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1vgi h THR 135 Cb 0.40 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1vgi h THR 135 CO -0.10 0.11 -0.08 0.03 0.37 0.00 0.00 175.52 175.85 1vgi h ARG 136 N 0.60 -0.22 -0.39 6.66 2.47 -1.21 -3.25 114.38 119.04 1vgi h ARG 136 Ca 0.26 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1vgi h ARG 136 Cb 0.16 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1vgi h ARG 136 CO -0.17 -0.15 0.20 1.88 0.56 0.00 0.00 179.97 182.30 1vgi h TYR 137 N -0.82 0.54 -0.00 3.04 0.05 -0.95 -0.73 116.97 118.10 1vgi h TYR 137 Ca -0.02 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1vgi h TYR 137 Cb 0.17 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1vgi h TYR 137 CO 0.01 0.43 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.26 1vgi h LEU 138 N 0.49 0.00 -0.23 3.88 3.38 -1.51 -1.51 115.31 119.81 1vgi h LEU 138 Ca 0.14 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1vgi h LEU 138 Cb 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1vgi h LEU 138 CO -0.02 0.23 -0.25 1.23 0.09 0.00 0.00 178.44 179.72 1vgi h GLY 139 N 0.68 0.62 0.91 0.83 0.00 -1.50 -2.89 103.07 101.73 1vgi h GLY 139 Ca -0.00 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.74 1vgi h GLY 139 CO 0.03 0.59 0.57 -0.55 0.00 0.00 0.00 176.54 177.17 1vgi h ASP 140 N 0.26 0.87 0.00 0.19 3.32 -0.55 0.14 116.42 120.65 1vgi h ASP 140 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1vgi h ASP 140 Cb 0.81 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1vgi h ASP 140 CO 0.06 0.57 0.00 0.18 -1.72 0.00 0.00 179.24 178.33 1vgi n LEU 141 N -4.48 0.00 0.00 1.55 4.77 -0.62 -3.48 117.00 114.73 1vgi n LEU 141 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1vgi n LEU 141 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1vgi n LEU 141 CO 0.33 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.19 1vgi n SER 142 N -0.87 0.00 0.00 -1.43 7.64 -0.02 -4.78 113.62 114.16 1vgi n SER 142 Ca 0.18 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.18 1vgi n SER 142 Cb 0.08 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.84 1vgi n SER 142 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vgi h GLY 143 N 0.00 0.35 1.12 0.23 0.00 -1.66 -1.22 103.07 101.89 1vgi h GLY 143 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.31 1vgi h GLY 143 CO 0.00 0.07 0.39 -1.33 0.00 0.00 0.00 176.54 175.67 1vgi h GLY 144 N 0.27 0.59 1.70 4.60 0.00 -1.50 -0.30 103.07 108.44 1vgi h GLY 144 Ca 0.21 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 1vgi h GLY 144 CO -0.04 0.12 -0.59 1.46 0.00 0.00 0.00 176.54 177.49 1vgi h GLN 145 N 0.44 0.31 -0.02 4.80 1.08 -1.25 -1.29 115.11 119.18 1vgi h GLN 145 Ca 0.26 -0.21 -0.23 0.00 -1.45 0.00 0.00 58.65 57.02 1vgi h GLN 145 Cb 0.44 0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1vgi h GLN 145 CO -0.07 0.81 -0.95 -0.39 -0.95 0.00 0.00 178.83 177.28 1vgi h VAL 146 N 0.23 1.36 -0.68 -0.54 -1.51 -1.34 -3.15 116.25 110.62 1vgi h VAL 146 Ca -0.00 -2.34 -0.03 0.00 -1.23 0.00 0.00 66.70 63.10 1vgi h VAL 146 Cb 1.10 2.36 -0.03 0.00 -2.13 0.00 0.00 31.29 32.59 1vgi h VAL 146 CO 0.10 0.71 0.31 -0.07 -1.23 0.00 0.00 177.57 177.38 1vgi h LEU 147 N 0.30 0.88 -0.49 4.19 3.38 -0.96 -2.38 115.31 120.24 1vgi h LEU 147 Ca -0.09 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1vgi h LEU 147 Cb 1.58 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1vgi h LEU 147 CO 0.17 0.76 0.23 0.50 0.09 0.00 0.00 178.44 180.19 1vgi h LYS 148 N 0.96 0.43 -0.39 1.13 3.64 -1.20 0.15 116.57 121.31 1vgi h LYS 148 Ca 0.23 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1vgi h LYS 148 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1vgi h LYS 148 CO -0.03 0.29 -0.08 0.87 -2.27 0.00 0.00 179.45 178.23 1vgi h LYS 149 N 0.45 0.66 -0.38 1.90 1.57 -1.45 -1.02 116.57 118.29 1vgi h LYS 149 Ca 0.22 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1vgi h LYS 149 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1vgi h LYS 149 CO -0.17 0.74 -0.05 0.82 -0.57 0.00 0.00 179.45 180.22 1vgi h ILE 150 N 0.61 1.27 -0.61 1.86 2.04 -0.89 -2.55 117.51 119.23 1vgi h ILE 150 Ca 0.11 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1vgi h ILE 150 Cb 0.51 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1vgi h ILE 150 CO 0.03 0.36 0.40 0.00 0.00 0.00 0.00 178.15 178.95 1vgi h ALA 151 N 0.85 0.78 -0.66 1.87 0.00 -0.35 -0.34 119.26 121.41 1vgi h ALA 151 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vgi h ALA 151 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1vgi h ALA 151 CO 0.03 0.21 0.42 1.96 0.00 0.00 0.00 179.25 181.87 1vgi h GLN 152 N 0.83 0.89 0.06 0.00 4.20 -1.09 -1.22 115.11 118.77 1vgi h GLN 152 Ca 0.22 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1vgi h GLN 152 Cb -0.09 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.50 1vgi h GLN 152 CO -0.05 0.61 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.48 1vgi h LYS 153 N 0.90 -0.08 -0.18 1.46 1.63 -1.21 -1.63 116.57 117.47 1vgi h LYS 153 Ca 0.24 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1vgi h LYS 153 Cb -0.06 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1vgi h LYS 153 CO -0.05 0.41 0.09 0.00 -3.45 0.00 0.00 179.45 176.46 1vgi h ALA 154 N 0.28 0.23 -0.66 5.00 0.00 -1.04 -3.26 119.26 119.80 1vgi h ALA 154 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vgi h ALA 154 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vgi h ALA 154 CO 0.01 -0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.71 1vgi n MET 155 N -4.90 2.68 -3.46 0.00 2.81 -0.47 -4.98 117.12 108.81 1vgi n MET 155 Ca -0.04 -2.60 -0.19 0.00 -1.81 0.00 0.00 57.70 53.07 1vgi n MET 155 Cb 0.08 -1.56 0.09 0.00 -0.71 0.00 0.00 33.22 31.12 1vgi n MET 155 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vgi n ALA 156 N 1.63 -1.82 -2.67 3.04 0.00 -0.72 -4.98 120.51 114.99 1vgi n ALA 156 Ca 0.24 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 1vgi n ALA 156 Cb 0.62 -3.22 -0.06 0.00 0.00 0.00 0.00 19.45 16.79 1vgi n ALA 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vgi s LEU 157 N -6.57 4.31 0.58 0.00 1.43 -0.69 -5.05 118.68 112.69 1vgi s LEU 157 Ca 0.15 0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 1vgi s LEU 157 Cb -0.07 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1vgi s LEU 157 CO 0.72 0.07 1.29 -2.16 0.23 0.00 0.00 176.35 176.50 1vgi s PRO 158 N 0.28 2.95 0.66 1.29 0.04 -1.26 -4.70 135.00 134.26 1vgi s PRO 158 Ca 0.25 2.05 0.43 0.00 0.04 0.00 0.00 61.00 63.76 1vgi s PRO 158 Cb -0.15 -2.06 2.33 0.00 0.04 0.00 0.00 34.50 34.66 1vgi s PRO 158 CO 0.11 -1.28 2.35 0.77 0.04 0.00 0.00 177.00 178.99 1vgi h SER 159 N 1.07 0.00 -0.31 6.66 0.02 -1.96 -1.79 113.55 117.23 1vgi h SER 159 Ca -0.51 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1vgi h SER 159 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1vgi h SER 159 CO 0.56 0.00 0.28 -1.28 -1.14 0.00 0.00 176.83 175.25 1vgi h SER 160 N 0.00 0.00 0.00 3.07 0.87 -2.04 -3.46 113.55 111.99 1vgi h SER 160 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vgi h SER 160 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1vgi h SER 160 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1vgi n GLY 161 N -1.50 1.67 3.67 5.77 0.00 -0.67 -5.07 105.19 109.05 1vgi n GLY 161 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1vgi n GLY 161 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vgi n GLU 162 N -1.37 1.99 -0.06 1.61 4.71 -1.26 -1.19 120.64 125.07 1vgi n GLU 162 Ca 0.00 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 1vgi n GLU 162 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 31.44 28.07 1vgi n GLU 162 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vgi n GLY 163 N 2.23 2.30 0.88 0.62 0.00 -1.26 -4.68 105.19 105.28 1vgi n GLY 163 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1vgi n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vgi n LEU 164 N 0.00 1.83 -0.16 0.99 4.77 -0.34 -4.84 117.00 119.25 1vgi n LEU 164 Ca 0.00 -2.89 0.09 0.00 -0.03 0.00 0.00 56.01 53.18 1vgi n LEU 164 Cb 0.00 -0.28 0.41 0.00 -2.33 0.00 0.00 43.42 41.22 1vgi n LEU 164 CO 0.00 0.91 1.21 0.00 -1.33 0.00 0.00 177.39 178.18 1vgi h ALA 165 N 0.83 1.83 -0.96 -1.18 0.00 -1.82 -1.62 119.26 116.34 1vgi h ALA 165 Ca -0.09 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1vgi h ALA 165 Cb 1.37 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1vgi h ALA 165 CO 0.04 0.03 0.61 0.35 0.00 0.00 0.00 179.25 180.27 1vgi h PHE 166 N 0.63 1.04 -0.09 0.00 3.57 -1.88 -0.54 116.94 119.66 1vgi h PHE 166 Ca 0.32 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1vgi h PHE 166 Cb 0.44 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1vgi h PHE 166 CO -0.00 0.42 0.00 1.19 -2.23 0.00 0.00 178.31 177.69 1vgi n PHE 167 N -4.58 0.11 -4.46 0.41 3.72 -0.61 -4.83 117.46 107.22 1vgi n PHE 167 Ca 0.18 -0.06 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 1vgi n PHE 167 Cb 0.36 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.77 1vgi n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1vgi s THR 168 N -1.89 3.59 -0.66 4.37 2.01 -0.21 -4.87 115.64 117.98 1vgi s THR 168 Ca 0.31 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1vgi s THR 168 Cb 0.16 -2.56 0.16 0.00 0.01 0.00 0.00 72.50 70.26 1vgi s THR 168 CO 0.25 0.49 0.44 -0.36 -0.69 0.00 0.00 174.62 174.75 1vgi s PHE 169 N 0.48 3.48 0.53 4.92 0.40 -1.26 -4.94 117.98 121.58 1vgi s PHE 169 Ca -0.05 -3.26 0.30 0.00 -0.60 0.00 0.00 56.93 53.32 1vgi s PHE 169 Cb -0.15 -2.80 1.74 0.00 0.51 0.00 0.00 43.02 42.32 1vgi s PHE 169 CO 0.03 -0.62 2.20 -1.00 0.70 0.00 0.00 175.22 176.53 1vgi h PRO 170 N 5.81 0.00 -0.01 0.24 0.13 -1.94 -2.30 132.00 133.92 1vgi h PRO 170 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1vgi h PRO 170 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1vgi h PRO 170 CO 0.72 0.04 -0.02 0.43 -0.23 0.00 0.00 178.00 178.95 1vgi n SER 171 N -3.70 1.36 -4.14 1.44 7.64 -1.26 -4.74 113.62 110.21 1vgi n SER 171 Ca -0.03 -1.42 -0.33 0.00 1.01 0.00 0.00 58.87 58.10 1vgi n SER 171 Cb 0.14 0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.20 1vgi n SER 171 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1vgi s ILE 172 N -2.03 2.50 -0.02 0.44 1.01 -0.87 -4.84 121.20 117.38 1vgi s ILE 172 Ca 0.38 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 1vgi s ILE 172 Cb 0.21 -2.30 -0.19 0.00 0.01 0.00 0.00 42.46 40.20 1vgi s ILE 172 CO 0.35 0.18 1.20 -0.78 0.00 0.00 0.00 174.94 175.88 1vgi h ASP 173 N 7.92 -0.11 -3.43 3.58 -0.00 -1.85 -3.43 116.42 119.11 1vgi h ASP 173 Ca -0.30 -0.39 -0.60 0.00 -0.00 0.00 0.00 57.03 55.74 1vgi h ASP 173 Cb 1.09 0.03 -0.39 0.00 -0.00 0.00 0.00 39.33 40.05 1vgi h ASP 173 CO 0.55 0.36 -0.76 0.21 -0.00 0.00 0.00 179.24 179.59 1vgi s ASN 174 N -5.51 3.92 0.25 2.28 2.47 -1.26 -5.02 114.94 112.07 1vgi s ASN 174 Ca -0.15 -1.44 -0.03 0.00 0.42 0.00 0.00 52.86 51.66 1vgi s ASN 174 Cb 0.02 -1.06 0.47 0.00 -1.45 0.00 0.00 41.25 39.22 1vgi s ASN 174 CO 0.61 -0.33 1.76 -0.65 -3.72 0.00 0.00 177.10 174.77 1vgi h PRO 175 N 7.99 0.58 -0.54 0.43 0.11 -1.92 -0.36 132.00 138.29 1vgi h PRO 175 Ca -0.14 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.97 1vgi h PRO 175 Cb 1.05 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1vgi h PRO 175 CO 0.44 0.38 0.31 1.15 -0.21 0.00 0.00 178.00 180.07 1vgi h THR 176 N 0.60 1.02 -0.34 -1.15 2.02 -1.95 0.26 112.91 113.36 1vgi h THR 176 Ca 0.43 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 1vgi h THR 176 Cb 0.57 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1vgi h THR 176 CO -0.34 0.11 -0.04 0.11 0.37 0.00 0.00 175.52 175.73 1vgi h LYS 177 N 0.61 0.63 -0.83 6.66 6.56 -1.76 -2.72 116.57 125.72 1vgi h LYS 177 Ca 0.23 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 1vgi h LYS 177 Cb 0.07 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 1vgi h LYS 177 CO -0.12 0.77 0.46 0.35 -2.06 0.00 0.00 179.45 178.85 1vgi h PHE 178 N 0.43 1.14 -0.98 -1.35 3.57 -0.69 -1.58 116.94 117.47 1vgi h PHE 178 Ca 0.09 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1vgi h PHE 178 Cb 0.51 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1vgi h PHE 178 CO 0.04 0.79 0.65 0.87 -2.23 0.00 0.00 178.31 178.43 1vgi h LYS 179 N 1.16 1.25 -0.69 1.11 1.57 -0.87 0.32 116.57 120.42 1vgi h LYS 179 Ca 0.29 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1vgi h LYS 179 Cb 0.02 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 1vgi h LYS 179 CO -0.05 0.83 0.20 1.96 -0.57 0.00 0.00 179.45 181.83 1vgi h GLN 180 N 1.29 1.09 -0.48 3.15 1.08 -1.09 0.17 115.11 120.33 1vgi h GLN 180 Ca 0.37 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1vgi h GLN 180 Cb -0.08 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 1vgi h GLN 180 CO -0.10 0.95 -0.05 1.25 -0.95 0.00 0.00 178.83 179.92 1vgi h LEU 181 N 1.03 0.88 -0.53 1.46 6.46 -0.37 -1.53 115.31 122.71 1vgi h LEU 181 Ca 0.22 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1vgi h LEU 181 Cb 0.32 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1vgi h LEU 181 CO -0.00 1.01 0.18 0.22 -0.62 0.00 0.00 178.44 179.22 1vgi h TYR 182 N 0.74 0.84 -0.46 1.25 5.03 0.05 -1.16 116.97 123.28 1vgi h TYR 182 Ca 0.13 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1vgi h TYR 182 Cb 0.59 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 1vgi h TYR 182 CO 0.04 0.71 0.26 0.00 -1.32 0.00 0.00 178.16 177.85 1vgi h ARG 183 N 0.73 0.63 -0.37 1.82 3.08 -0.53 -0.97 114.38 118.78 1vgi h ARG 183 Ca 0.17 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.19 1vgi h ARG 183 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1vgi h ARG 183 CO -0.01 0.49 0.14 0.00 -1.07 0.00 0.00 179.97 179.53 1vgi h ALA 184 N 1.10 0.43 -0.52 0.04 0.00 -0.99 -2.18 119.26 117.15 1vgi h ALA 184 Ca 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1vgi h ALA 184 Cb 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1vgi h ALA 184 CO -0.03 -0.24 0.15 -0.09 0.00 0.00 0.00 179.25 179.04 1vgi h ARG 185 N 0.31 0.78 -0.74 0.00 9.65 -0.94 -1.50 114.38 121.93 1vgi h ARG 185 Ca 0.16 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 58.94 1vgi h ARG 185 Cb 0.12 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1vgi h ARG 185 CO -0.15 0.68 0.49 1.98 2.80 0.00 0.00 179.97 185.77 1vgi h MET 186 N 0.76 0.84 0.00 0.20 4.05 -0.58 -0.28 114.93 119.92 1vgi h MET 186 Ca 0.17 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1vgi h MET 186 Cb 0.24 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1vgi h MET 186 CO -0.01 0.56 0.00 0.09 0.23 0.00 0.00 176.91 177.78 1vgi n ASN 187 N -4.46 0.00 -0.23 1.39 3.02 -0.57 -2.73 115.26 111.68 1vgi n ASN 187 Ca 0.10 -0.91 0.10 0.00 -0.03 0.00 0.00 54.58 53.83 1vgi n ASN 187 Cb 0.15 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 1vgi n ASN 187 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1vgi n THR 188 N -0.92 0.00 -1.81 3.41 -2.24 -0.12 -4.90 114.28 107.70 1vgi n THR 188 Ca 0.16 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1vgi n THR 188 Cb 0.07 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.47 1vgi n THR 188 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1vgi s LEU 189 N -2.67 3.50 -0.12 3.22 1.43 -1.10 -4.90 118.68 118.03 1vgi s LEU 189 Ca 0.12 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 1vgi s LEU 189 Cb 0.16 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 1vgi s LEU 189 CO 0.68 -1.75 1.85 -1.83 0.23 0.00 0.00 176.35 175.53 1vgi s GLU 190 N -3.70 3.83 -0.10 1.70 4.04 -1.26 -4.97 118.70 118.24 1vgi s GLU 190 Ca 0.73 2.10 0.04 0.00 0.04 0.00 0.00 54.97 57.88 1vgi s GLU 190 Cb -0.26 -4.13 -0.00 0.00 0.02 0.00 0.00 34.13 29.75 1vgi s GLU 190 CO 0.38 -1.28 -0.24 -1.64 -1.84 0.00 0.00 175.26 170.64 1vgi s MET 191 N 4.84 3.04 0.19 -4.83 -1.94 -1.26 -4.98 119.30 114.36 1vgi s MET 191 Ca 0.83 -0.88 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 1vgi s MET 191 Cb -0.33 -2.30 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 1vgi s MET 191 CO 0.34 0.19 -0.14 0.95 -0.01 0.00 0.00 175.02 176.34 1vgi s THR 192 N 0.32 1.65 0.32 2.05 -4.23 -1.26 -5.00 115.64 109.49 1vgi s THR 192 Ca -0.18 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.26 1vgi s THR 192 Cb -0.18 -1.96 0.31 0.00 1.34 0.00 0.00 72.50 72.01 1vgi s THR 192 CO 0.09 -0.57 1.82 -0.65 -0.54 0.00 0.00 174.62 174.76 1vgi h PRO 193 N 2.73 0.77 0.24 3.99 0.11 -1.99 -0.74 132.00 137.11 1vgi h PRO 193 Ca -0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1vgi h PRO 193 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1vgi h PRO 193 CO 0.60 0.51 -0.18 1.49 -0.21 0.00 0.00 178.00 180.21 1vgi h GLU 194 N 0.79 -0.41 -0.42 1.05 4.22 -1.99 -1.01 114.58 116.81 1vgi h GLU 194 Ca 0.52 0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.90 1vgi h GLU 194 Cb 0.77 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1vgi h GLU 194 CO -0.30 -0.27 -0.08 0.28 -2.18 0.00 0.00 179.01 176.46 1vgi h VAL 195 N -0.43 1.27 -0.84 0.32 2.07 -1.80 -2.49 116.25 114.36 1vgi h VAL 195 Ca -0.02 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1vgi h VAL 195 Cb 0.37 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1vgi h VAL 195 CO -0.00 0.39 0.48 0.50 0.02 0.00 0.00 177.57 178.96 1vgi h LYS 196 N 0.61 1.15 -0.03 1.57 3.64 -1.10 0.13 116.57 122.54 1vgi h LYS 196 Ca 0.11 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1vgi h LYS 196 Cb 0.60 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1vgi h LYS 196 CO 0.04 0.83 0.02 0.45 -2.27 0.00 0.00 179.45 178.52 1vgi h HIS 197 N 1.16 0.05 -0.05 1.91 3.86 -1.08 -2.53 115.15 118.45 1vgi h HIS 197 Ca 0.30 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.33 1vgi h HIS 197 Cb -0.01 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1vgi h HIS 197 CO 0.00 0.07 -0.73 0.00 0.86 0.00 0.00 177.93 178.13 1vgi h ARG 198 N 0.01 0.29 -0.71 2.45 3.08 -1.18 -2.74 114.38 115.58 1vgi h ARG 198 Ca 0.01 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1vgi h ARG 198 Cb 0.03 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1vgi h ARG 198 CO -0.00 0.89 0.31 0.28 -1.07 0.00 0.00 179.97 180.38 1vgi h VAL 199 N 0.19 1.24 -0.04 2.04 2.07 -0.71 0.11 116.25 121.15 1vgi h VAL 199 Ca -0.03 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1vgi h VAL 199 Cb 1.29 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1vgi h VAL 199 CO 0.12 0.30 -0.45 0.71 0.02 0.00 0.00 177.57 178.26 1vgi h THR 200 N 1.01 1.33 -0.23 2.57 1.35 -1.42 -1.50 112.91 116.02 1vgi h THR 200 Ca 0.24 -1.58 -0.19 0.00 -0.55 0.00 0.00 66.41 64.33 1vgi h THR 200 Cb 0.17 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1vgi h THR 200 CO -0.02 0.46 -0.61 -0.33 -0.25 0.00 0.00 175.52 174.77 1vgi h GLU 201 N 0.08 0.77 -0.05 4.72 4.39 -1.11 -2.74 114.58 120.65 1vgi h GLU 201 Ca 0.00 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 59.09 1vgi h GLU 201 Cb 0.83 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1vgi h GLU 201 CO 0.06 1.15 -0.38 1.49 -1.16 0.00 0.00 179.01 180.17 1vgi h GLU 202 N 0.58 0.09 -0.53 2.33 4.57 -0.53 -1.52 114.58 119.58 1vgi h GLU 202 Ca -0.00 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 1vgi h GLU 202 Cb 1.21 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1vgi h GLU 202 CO 0.13 0.47 0.05 0.00 -1.18 0.00 0.00 179.01 178.48 1vgi h ALA 203 N 1.53 0.71 -0.63 2.92 0.00 -1.16 0.12 119.26 122.75 1vgi h ALA 203 Ca 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1vgi h ALA 203 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1vgi h ALA 203 CO 0.05 0.48 0.19 0.87 0.00 0.00 0.00 179.25 180.84 1vgi h LYS 204 N 0.78 0.95 -0.75 0.00 1.57 -1.17 -1.22 116.57 116.73 1vgi h LYS 204 Ca 0.16 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1vgi h LYS 204 Cb 0.46 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1vgi h LYS 204 CO 0.02 0.83 0.33 1.15 -0.57 0.00 0.00 179.45 181.20 1vgi h THR 205 N 0.92 1.25 -0.59 -0.16 2.02 -0.69 -1.49 112.91 114.17 1vgi h THR 205 Ca 0.20 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1vgi h THR 205 Cb 0.28 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1vgi h THR 205 CO -0.01 0.31 0.37 0.00 0.37 0.00 0.00 175.52 176.56 1vgi h ALA 206 N 1.16 0.75 -0.78 6.16 0.00 0.04 -0.56 119.26 126.05 1vgi h ALA 206 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1vgi h ALA 206 Cb 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1vgi h ALA 206 CO -0.03 0.22 0.35 0.74 0.00 0.00 0.00 179.25 180.53 1vgi h PHE 207 N 0.80 1.13 -0.56 0.00 -1.00 -0.89 -2.06 116.94 114.37 1vgi h PHE 207 Ca 0.21 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.87 1vgi h PHE 207 Cb -0.04 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.15 1vgi h PHE 207 CO -0.02 0.83 0.12 1.25 -1.61 0.00 0.00 178.31 178.88 1vgi h LEU 208 N 1.11 0.85 -1.46 1.54 5.85 -0.61 0.72 115.31 123.31 1vgi h LEU 208 Ca 0.27 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1vgi h LEU 208 Cb 0.15 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1vgi h LEU 208 CO -0.03 0.88 0.37 -0.07 -0.34 0.00 0.00 178.44 179.24 1vgi h LEU 209 N 0.80 0.63 -0.21 2.25 3.38 -0.82 0.17 115.31 121.50 1vgi h LEU 209 Ca 0.17 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1vgi h LEU 209 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vgi h LEU 209 CO 0.00 0.45 -0.31 0.78 0.09 0.00 0.00 178.44 179.46 1vgi h ASN 210 N 0.74 0.64 -0.64 -0.43 2.35 -0.70 -1.65 115.58 115.89 1vgi h ASN 210 Ca 0.20 -0.51 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1vgi h ASN 210 Cb -0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1vgi h ASN 210 CO -0.05 1.03 0.39 0.40 -1.65 0.00 0.00 177.43 177.55 1vgi h ILE 211 N 0.27 1.19 -0.41 2.81 2.04 -0.10 -1.17 117.51 122.13 1vgi h ILE 211 Ca 0.02 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1vgi h ILE 211 Cb 0.88 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1vgi h ILE 211 CO 0.07 0.20 -0.02 -0.33 0.00 0.00 0.00 178.15 178.06 1vgi h GLU 212 N 0.88 0.68 -0.13 2.37 5.08 -0.65 -0.48 114.58 122.32 1vgi h GLU 212 Ca 0.23 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1vgi h GLU 212 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1vgi h GLU 212 CO -0.04 0.71 0.04 1.25 -1.00 0.00 0.00 179.01 179.97 1vgi h LEU 213 N 0.64 0.19 -0.74 1.33 5.85 -0.77 -1.54 115.31 120.26 1vgi h LEU 213 Ca 0.13 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1vgi h LEU 213 Cb 0.43 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1vgi h LEU 213 CO 0.02 0.33 0.49 -0.26 -0.34 0.00 0.00 178.44 178.67 1vgi h PHE 214 N 0.03 0.94 -0.49 1.25 0.04 -0.90 -0.04 116.94 117.77 1vgi h PHE 214 Ca 0.04 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 1vgi h PHE 214 Cb 0.21 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1vgi h PHE 214 CO -0.00 0.60 0.07 0.93 -0.60 0.00 0.00 178.31 179.31 1vgi h GLU 215 N 1.01 0.77 -0.29 1.51 5.08 -0.99 -1.09 114.58 120.58 1vgi h GLU 215 Ca 0.27 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1vgi h GLU 215 Cb -0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1vgi h GLU 215 CO -0.06 0.73 -0.20 1.49 -1.00 0.00 0.00 179.01 179.98 1vgi h GLU 216 N 0.74 0.65 -0.55 2.33 4.81 -0.68 -2.35 114.58 119.52 1vgi h GLU 216 Ca 0.16 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1vgi h GLU 216 Cb 0.34 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1vgi h GLU 216 CO 0.01 0.90 0.14 -0.07 -0.73 0.00 0.00 179.01 179.25 1vgi h LEU 217 N 0.39 0.84 -1.14 1.64 3.38 -0.79 -1.13 115.31 118.50 1vgi h LEU 217 Ca 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1vgi h LEU 217 Cb 0.74 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1vgi h LEU 217 CO 0.05 0.85 0.55 -0.61 0.09 0.00 0.00 178.44 179.37 1vgi h GLN 218 N 0.79 1.12 -0.33 1.13 5.75 -1.18 -0.96 115.11 121.42 1vgi h GLN 218 Ca 0.17 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1vgi h GLN 218 Cb 0.34 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1vgi h GLN 218 CO 0.00 0.75 -0.02 0.00 -2.65 0.00 0.00 178.83 176.92 1vgi h ALA 219 N 1.45 0.44 -0.17 3.38 0.00 -1.02 -2.06 119.26 121.28 1vgi h ALA 219 Ca 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vgi h ALA 219 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1vgi h ALA 219 CO -0.06 0.22 -0.05 -0.07 0.00 0.00 0.00 179.25 179.29 1vgi h LEU 220 N 0.39 0.23 0.01 0.00 4.07 -0.65 -2.92 115.31 116.45 1vgi h LEU 220 Ca 0.09 -0.03 -0.22 0.00 0.08 0.00 0.00 57.88 57.79 1vgi h LEU 220 Cb 0.48 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1vgi h LEU 220 CO 0.02 0.32 -1.05 -0.07 -1.08 0.00 0.00 178.44 176.58 1vgi h LEU 221 N 0.25 0.11 -1.62 1.67 3.38 -1.00 -3.51 115.31 114.58 1vgi h LEU 221 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1vgi h LEU 221 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vgi h LEU 221 CO 0.01 1.08 0.00 0.35 0.09 0.00 0.00 178.44 179.97