#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwv s GLN 4 N 0.00 2.70 -0.10 -0.14 -0.21 -1.26 -4.76 119.66 115.88 3bwv s GLN 4 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.88 3bwv s GLN 4 Cb 0.00 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.56 3bwv s GLN 4 CO 0.00 -0.65 -0.20 0.50 -2.12 0.00 0.00 175.29 172.82 3bwv s ARG 5 N -4.79 3.05 -0.18 2.91 3.52 -1.26 -0.95 118.95 121.25 3bwv s ARG 5 Ca 0.55 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 3bwv s ARG 5 Cb -0.10 -2.39 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 3bwv s ARG 5 CO 0.40 0.25 -0.08 0.42 -0.81 0.00 0.00 175.30 175.48 3bwv s ILE 6 N 0.20 3.25 -0.14 4.11 1.01 -0.16 -1.07 121.20 128.39 3bwv s ILE 6 Ca -0.12 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3bwv s ILE 6 Cb -0.16 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3bwv s ILE 6 CO 0.07 0.47 0.21 0.00 0.00 0.00 0.00 174.94 175.68 3bwv s ALA 7 N 1.00 3.72 -0.11 9.38 0.00 -0.16 -1.42 121.76 134.17 3bwv s ALA 7 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3bwv s ALA 7 Cb -0.15 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.79 3bwv s ALA 7 CO -0.00 0.32 -0.16 0.42 0.00 0.00 0.00 175.76 176.33 3bwv s ILE 8 N -0.20 1.60 0.00 0.00 1.01 0.27 -1.00 121.20 122.88 3bwv s ILE 8 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3bwv s ILE 8 Cb -0.12 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3bwv s ILE 8 CO 0.03 0.46 0.00 -0.67 0.00 0.00 0.00 174.94 174.76 3bwv n ASP 9 N 4.19 -0.16 0.00 3.58 2.03 -0.48 -0.96 116.55 124.76 3bwv n ASP 9 Ca -0.19 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.00 3bwv n ASP 9 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3bwv n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3bwv n ASP 11 N -0.59 0.00 0.00 1.67 8.00 -1.26 -3.46 116.55 120.91 3bwv n ASP 11 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3bwv n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3bwv n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bwv n GLU 12 N 0.00 -0.43 0.06 -1.24 1.02 0.21 -4.78 120.64 115.48 3bwv n GLU 12 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3bwv n GLU 12 Cb 0.00 -3.44 0.00 0.00 -0.02 0.00 0.00 31.44 27.98 3bwv n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3bwv n VAL 13 N -2.62 0.64 0.03 2.62 0.31 -1.26 -4.82 118.33 113.23 3bwv n VAL 13 Ca 0.00 0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 64.32 3bwv n VAL 13 Cb 0.11 -1.12 -0.14 0.00 -0.91 0.00 0.00 33.84 31.78 3bwv n VAL 13 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3bwv h LEU 14 N 0.00 0.47 -9.16 7.52 3.38 -1.86 -3.48 115.31 112.18 3bwv h LEU 14 Ca 0.00 -0.93 -0.68 0.00 0.09 0.00 0.00 57.88 56.36 3bwv h LEU 14 Cb 0.00 -0.15 -0.18 0.00 0.09 0.00 0.00 40.66 40.42 3bwv h LEU 14 CO 0.00 1.81 -0.69 0.00 0.09 0.00 0.00 178.44 179.65 3bwv s ALA 15 N -2.55 3.03 -1.27 1.53 0.00 -1.26 -4.45 121.76 116.78 3bwv s ALA 15 Ca -0.20 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 3bwv s ALA 15 Cb 0.06 -1.22 0.15 0.00 0.00 0.00 0.00 23.12 22.11 3bwv s ALA 15 CO 0.79 0.59 1.72 -3.47 0.00 0.00 0.00 175.76 175.40 3bwv n ASP 16 N 1.95 5.03 -0.11 0.00 2.03 0.53 -0.62 116.55 125.37 3bwv n ASP 16 Ca -0.17 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 51.99 3bwv n ASP 16 Cb 0.53 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.35 3bwv n ASP 16 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3bwv h THR 17 N 4.25 1.29 -0.33 5.18 2.02 -1.93 -2.96 112.91 120.44 3bwv h THR 17 Ca 0.38 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 3bwv h THR 17 Cb 0.74 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3bwv h THR 17 CO 1.49 0.47 0.00 0.25 0.37 0.00 0.00 175.52 178.10 3bwv h LEU 18 N 0.55 0.56 -1.26 2.58 5.85 -1.98 -2.27 115.31 119.35 3bwv h LEU 18 Ca 0.06 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.56 3bwv h LEU 18 Cb 0.86 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3bwv h LEU 18 CO 0.07 0.73 0.55 1.23 -0.34 0.00 0.00 178.44 180.68 3bwv h GLY 19 N 0.38 1.18 0.96 3.75 0.00 -1.96 -0.74 103.07 106.64 3bwv h GLY 19 Ca 0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3bwv h GLY 19 CO 0.02 0.21 -0.23 0.00 0.00 0.00 0.00 176.54 176.53 3bwv h ALA 20 N 1.57 0.44 0.03 3.60 0.00 -1.32 -1.51 119.26 122.07 3bwv h ALA 20 Ca 0.39 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bwv h ALA 20 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3bwv h ALA 20 CO -0.15 0.41 -0.01 0.28 0.00 0.00 0.00 179.25 179.78 3bwv h VAL 21 N 0.46 1.24 -0.71 0.00 2.07 -0.83 -2.17 116.25 116.30 3bwv h VAL 21 Ca 0.06 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.82 3bwv h VAL 21 Cb 0.79 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 3bwv h VAL 21 CO 0.06 0.21 0.38 0.58 0.02 0.00 0.00 177.57 178.82 3bwv h VAL 22 N -0.40 0.91 -0.48 2.57 2.07 -1.17 0.16 116.25 119.92 3bwv h VAL 22 Ca -0.00 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3bwv h VAL 22 Cb 0.37 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3bwv h VAL 22 CO 0.01 0.12 0.27 0.50 0.02 0.00 0.00 177.57 178.49 3bwv h LYS 23 N 0.67 0.53 -0.42 1.57 3.64 -1.23 0.02 116.57 121.35 3bwv h LYS 23 Ca 0.33 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3bwv h LYS 23 Cb 0.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3bwv h LYS 23 CO -0.22 0.35 0.05 0.00 -2.27 0.00 0.00 179.45 177.36 3bwv h ALA 24 N 1.22 0.56 -0.43 5.00 0.00 -0.79 -1.46 119.26 123.36 3bwv h ALA 24 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bwv h ALA 24 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3bwv h ALA 24 CO -0.10 0.29 0.28 0.28 0.00 0.00 0.00 179.25 180.00 3bwv h VAL 25 N 0.55 1.11 -0.74 0.00 2.07 -0.73 -1.02 116.25 117.49 3bwv h VAL 25 Ca 0.12 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3bwv h VAL 25 Cb 0.40 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3bwv h VAL 25 CO 0.01 0.11 0.41 0.78 0.02 0.00 0.00 177.57 178.89 3bwv h ASN 26 N 0.58 0.93 -0.18 0.57 2.35 -0.84 -0.65 115.58 118.34 3bwv h ASN 26 Ca 0.16 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3bwv h ASN 26 Cb -0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 3bwv h ASN 26 CO -0.03 0.76 0.07 -0.33 -1.65 0.00 0.00 177.43 176.25 3bwv h GLU 27 N 1.03 0.27 0.08 0.81 5.08 -1.13 -1.80 114.58 118.92 3bwv h GLU 27 Ca 0.26 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3bwv h GLU 27 Cb 0.04 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3bwv h GLU 27 CO -0.04 0.34 -0.48 0.00 -1.00 0.00 0.00 179.01 177.83 3bwv h ARG 28 N 0.14 0.18 -0.25 2.33 3.08 -0.96 -3.30 114.38 115.60 3bwv h ARG 28 Ca 0.06 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3bwv h ARG 28 Cb 0.17 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3bwv h ARG 28 CO -0.01 1.14 0.00 0.00 -1.07 0.00 0.00 179.97 180.03 3bwv n ALA 29 N -2.64 2.48 -3.39 0.04 0.00 -0.27 -4.96 120.51 111.77 3bwv n ALA 29 Ca -0.12 -0.67 -0.18 0.00 0.00 0.00 0.00 53.44 52.47 3bwv n ALA 29 Cb 0.68 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 19.19 3bwv n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bwv n ASP 30 N 0.69 -4.49 -4.76 0.00 8.00 -0.81 -5.01 116.55 110.17 3bwv n ASP 30 Ca 0.17 -0.72 -0.29 0.00 0.71 0.00 0.00 54.79 54.66 3bwv n ASP 30 Cb 0.41 -4.91 -0.07 0.00 -0.02 0.00 0.00 41.12 36.53 3bwv n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bwv s LEU 31 N -5.93 2.67 -0.31 0.64 1.43 -0.74 -5.04 118.68 111.40 3bwv s LEU 31 Ca 0.27 -1.39 0.14 0.00 -1.03 0.00 0.00 54.13 52.11 3bwv s LEU 31 Cb -0.04 -1.02 0.47 0.00 0.03 0.00 0.00 46.19 45.62 3bwv s LEU 31 CO 0.75 -0.76 1.11 0.59 0.23 0.00 0.00 176.35 178.28 3bwv n ASN 32 N -1.31 3.27 -4.68 2.29 3.02 -1.26 -4.64 115.26 111.95 3bwv n ASN 32 Ca -0.09 -3.03 -0.45 0.00 -0.03 0.00 0.00 54.58 50.98 3bwv n ASN 32 Cb 0.66 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 3bwv n ASN 32 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3bwv n ILE 33 N -0.53 0.30 -0.48 2.41 5.41 -1.26 -5.15 119.36 120.05 3bwv n ILE 33 Ca 0.26 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.95 3bwv n ILE 33 Cb 0.84 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 3bwv n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bwv n LYS 34 N 5.17 3.56 0.00 0.38 4.01 -1.26 -5.02 118.16 125.00 3bwv n LYS 34 Ca 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 3bwv n LYS 34 Cb 0.33 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 3bwv n LYS 34 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3bwv n GLU 36 N 0.00 0.00 0.20 1.97 0.00 -1.26 -3.87 120.64 117.68 3bwv n GLU 36 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3bwv n GLU 36 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 31.44 32.13 3bwv n GLU 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3bwv h SER 37 N 0.00 0.00 -0.09 4.31 4.64 -2.01 -1.81 113.55 118.59 3bwv h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bwv h SER 37 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bwv h SER 37 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3bwv n LEU 38 N -2.53 1.47 -4.71 5.97 4.77 -1.25 -4.90 117.00 115.82 3bwv n LEU 38 Ca -0.00 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 54.99 3bwv n LEU 38 Cb 0.14 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3bwv n LEU 38 CO 0.17 0.28 1.37 0.59 -1.33 0.00 0.00 177.39 178.48 3bwv n ASN 39 N 0.17 3.91 -0.17 -1.43 3.02 -0.68 -1.65 115.26 118.43 3bwv n ASN 39 Ca 0.17 1.05 -0.02 0.00 -0.03 0.00 0.00 54.58 55.75 3bwv n ASN 39 Cb 0.32 -1.56 -0.01 0.00 -0.61 0.00 0.00 39.78 37.93 3bwv n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bwv n GLY 40 N 3.96 0.42 3.26 7.41 0.00 0.32 -4.95 105.19 115.60 3bwv n GLY 40 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3bwv n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bwv s LYS 41 N -1.46 1.21 -0.02 1.61 1.02 -0.66 -4.96 119.74 116.49 3bwv s LYS 41 Ca 0.00 -1.62 0.04 0.00 0.02 0.00 0.00 55.97 54.42 3bwv s LYS 41 Cb 0.00 -0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.08 3bwv s LYS 41 CO 0.00 -0.21 -0.14 0.15 -0.92 0.00 0.00 175.35 174.23 3bwv s LYS 42 N -3.98 2.40 0.00 1.68 3.01 -1.26 -4.05 119.74 117.54 3bwv s LYS 42 Ca 0.30 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 3bwv s LYS 42 Cb 0.07 -2.35 0.00 0.00 -1.01 0.00 0.00 37.83 34.54 3bwv s LYS 42 CO 0.08 0.60 0.00 -0.11 0.51 0.00 0.00 175.35 176.43 3bwv n LEU 43 N 1.97 0.00 -0.30 3.17 7.94 -1.26 -5.09 117.00 123.43 3bwv n LEU 43 Ca -0.17 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.64 3bwv n LEU 43 Cb 0.52 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.39 3bwv n LEU 43 CO 0.27 0.00 0.49 1.23 -1.11 0.00 0.00 177.39 178.26 3bwv h GLY 52 N 0.00 -1.22 0.81 -3.96 0.00 -2.08 -3.53 103.07 93.09 3bwv h GLY 52 Ca 0.00 0.86 0.15 0.00 0.00 0.00 0.00 47.33 48.34 3bwv h GLY 52 CO 0.00 -0.18 0.45 -2.00 0.00 0.00 0.00 176.54 174.80 3bwv h LEU 53 N -0.05 0.22 -1.43 3.11 5.85 -2.05 -2.14 115.31 118.83 3bwv h LEU 53 Ca 0.12 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3bwv h LEU 53 Cb 0.35 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3bwv h LEU 53 CO -0.71 0.12 0.00 0.52 -0.34 0.00 0.00 178.44 178.03 3bwv n VAL 54 N -4.43 0.16 0.00 1.05 0.31 -1.26 -0.36 118.33 113.80 3bwv n VAL 54 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3bwv n VAL 54 Cb 0.56 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3bwv n VAL 54 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3bwv n ASP 56 N 0.52 0.00 -0.17 4.52 9.92 -0.80 -1.23 116.55 129.31 3bwv n ASP 56 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 3bwv n ASP 56 Cb 0.13 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.62 3bwv n ASP 56 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3bwv h ILE 57 N 0.00 1.20 0.00 0.53 2.04 -0.98 -2.30 117.51 118.00 3bwv h ILE 57 Ca 0.00 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 3bwv h ILE 57 Cb 0.00 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3bwv h ILE 57 CO 0.00 0.22 -0.40 -0.07 0.00 0.00 0.00 178.15 177.91 3bwv h LEU 58 N 0.65 0.00 -0.37 1.44 3.38 -1.43 -3.04 115.31 115.93 3bwv h LEU 58 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3bwv h LEU 58 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3bwv h LEU 58 CO -0.02 0.40 -0.40 0.29 0.09 0.00 0.00 178.44 178.80 3bwv n LYS 59 N -3.91 0.58 -1.97 1.13 5.02 -1.13 -4.82 118.16 113.06 3bwv n LYS 59 Ca -0.01 -0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 55.49 3bwv n LYS 59 Cb 0.45 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3bwv n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3bwv s GLU 60 N -2.68 4.23 0.27 1.97 2.02 -0.88 -4.96 118.70 118.68 3bwv s GLU 60 Ca 0.19 2.32 -0.30 0.00 0.02 0.00 0.00 54.97 57.20 3bwv s GLU 60 Cb 0.18 -3.20 -0.13 0.00 0.10 0.00 0.00 34.13 31.08 3bwv s GLU 60 CO 0.60 -0.59 1.26 -2.30 0.02 0.00 0.00 175.26 174.25 3bwv n PRO 61 N 4.09 1.81 0.00 0.39 -0.02 -1.26 -2.02 135.00 137.99 3bwv n PRO 61 Ca 0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3bwv n PRO 61 Cb 0.39 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3bwv n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bwv n GLY 62 N 1.51 2.42 0.13 -1.23 0.00 -1.26 -4.96 105.19 101.81 3bwv n GLY 62 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 3bwv n GLY 62 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bwv h PHE 63 N 0.00 -0.06 0.00 1.61 3.57 -1.72 -1.41 116.94 118.93 3bwv h PHE 63 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3bwv h PHE 63 Cb 0.00 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3bwv h PHE 63 CO 0.00 -0.08 0.00 0.74 -2.23 0.00 0.00 178.31 176.74 3bwv h PHE 64 N 0.06 0.00 0.00 0.41 0.04 -1.87 -3.01 116.94 112.56 3bwv h PHE 64 Ca 0.14 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 3bwv h PHE 64 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3bwv h PHE 64 CO -0.24 0.00 -0.50 -0.09 -0.60 0.00 0.00 178.31 176.88 3bwv h ARG 65 N 0.00 0.00 -0.19 1.51 2.43 -1.44 -3.34 114.38 113.35 3bwv h ARG 65 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bwv h ARG 65 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3bwv h ARG 65 CO 0.00 0.50 0.00 0.09 -1.51 0.00 0.00 179.97 179.05 3bwv n ASN 66 N -3.81 2.82 -4.76 -3.80 3.02 -1.06 -4.81 115.26 102.87 3bwv n ASN 66 Ca -0.01 -1.83 -0.38 0.00 -0.03 0.00 0.00 54.58 52.33 3bwv n ASN 66 Cb 0.53 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 3bwv n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bwv s LEU 67 N -1.36 3.89 0.51 3.41 1.43 -1.24 -5.01 118.68 120.31 3bwv s LEU 67 Ca 0.26 2.61 -0.19 0.00 -1.03 0.00 0.00 54.13 55.78 3bwv s LEU 67 Cb 0.17 -4.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 3bwv s LEU 67 CO 0.24 -1.39 1.05 -1.81 0.23 0.00 0.00 176.35 174.67 3bwv s ASP 68 N -1.11 6.17 0.00 2.29 1.01 -1.26 -4.89 116.67 118.89 3bwv s ASP 68 Ca 0.70 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.90 3bwv s ASP 68 Cb -0.36 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.01 3bwv s ASP 68 CO 0.43 -0.90 0.00 0.55 0.21 0.00 0.00 175.17 175.46 3bwv n VAL 69 N -1.17 0.00 -3.61 -1.27 3.14 -1.26 -0.35 118.33 113.81 3bwv n VAL 69 Ca 0.10 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.11 3bwv n VAL 69 Cb 0.52 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.23 3bwv n VAL 69 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3bwv s PRO 71 N 0.95 4.11 0.00 1.45 0.02 -1.26 -4.79 135.00 135.48 3bwv s PRO 71 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 61.00 61.06 3bwv s PRO 71 Cb 0.00 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3bwv s PRO 71 CO 0.00 0.36 0.00 0.72 -0.33 0.00 0.00 177.00 177.75 3bwv n HIS 72 N 3.21 0.00 -0.17 6.54 8.25 -1.26 -4.26 115.22 127.53 3bwv n HIS 72 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 3bwv n HIS 72 Cb 0.52 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3bwv n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bwv h ALA 73 N 0.00 0.64 -0.32 -1.41 0.00 -1.94 -1.79 119.26 114.44 3bwv h ALA 73 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3bwv h ALA 73 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3bwv h ALA 73 CO 0.00 0.43 0.18 1.96 0.00 0.00 0.00 179.25 181.83 3bwv h GLN 74 N 0.69 0.44 -0.49 0.00 4.20 -1.91 -0.70 115.11 117.35 3bwv h GLN 74 Ca 0.14 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 3bwv h GLN 74 Cb 0.49 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3bwv h GLN 74 CO 0.02 0.36 -0.21 0.93 -0.67 0.00 0.00 178.83 179.26 3bwv h GLU 75 N 0.41 0.99 -0.17 1.46 5.08 -1.95 -1.60 114.58 118.79 3bwv h GLU 75 Ca 0.11 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 3bwv h GLU 75 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bwv h GLU 75 CO -0.02 1.10 -0.37 0.28 -1.00 0.00 0.00 179.01 179.00 3bwv h VAL 76 N 0.86 1.34 -0.34 3.13 2.07 -1.26 -2.27 116.25 119.78 3bwv h VAL 76 Ca 0.11 -1.61 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 3bwv h VAL 76 Cb 0.78 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3bwv h VAL 76 CO 0.07 0.49 -0.19 0.58 0.02 0.00 0.00 177.57 178.54 3bwv h VAL 77 N 0.20 1.26 -0.72 2.57 2.07 -1.06 -0.31 116.25 120.26 3bwv h VAL 77 Ca 0.00 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 3bwv h VAL 77 Cb 0.97 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3bwv h VAL 77 CO 0.08 0.41 0.21 0.50 0.02 0.00 0.00 177.57 178.79 3bwv h LYS 78 N 0.57 1.14 -0.14 1.57 3.64 -1.25 -0.39 116.57 121.70 3bwv h LYS 78 Ca 0.09 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3bwv h LYS 78 Cb 0.65 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3bwv h LYS 78 CO 0.05 0.98 0.08 1.96 -2.27 0.00 0.00 179.45 180.24 3bwv h GLN 79 N 1.08 0.20 -0.64 1.90 4.20 -1.07 -3.13 115.11 117.65 3bwv h GLN 79 Ca 0.23 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3bwv h GLN 79 Cb 0.33 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3bwv h GLN 79 CO -0.00 0.22 0.25 -0.07 -0.67 0.00 0.00 178.83 178.56 3bwv h LEU 80 N 0.13 0.85 -2.51 1.46 3.38 -0.73 -2.09 115.31 115.80 3bwv h LEU 80 Ca 0.05 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3bwv h LEU 80 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3bwv h LEU 80 CO -0.01 0.76 0.16 -1.13 0.09 0.00 0.00 178.44 178.31 3bwv h ASN 81 N 0.92 0.00 0.22 -0.43 -1.24 -1.02 0.16 115.58 114.18 3bwv h ASN 81 Ca 0.22 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.15 3bwv h ASN 81 Cb 0.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3bwv h ASN 81 CO -0.02 0.00 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.48 3bwv h GLU 82 N 0.00 0.16 0.00 6.67 4.39 -1.39 -3.35 114.58 121.06 3bwv h GLU 82 Ca 0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3bwv h GLU 82 Cb 0.32 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3bwv h GLU 82 CO -0.00 0.46 -0.52 0.72 -1.16 0.00 0.00 179.01 178.51 3bwv n HIS 83 N -4.12 0.00 -4.53 4.33 8.25 -0.70 -5.05 115.22 113.40 3bwv n HIS 83 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 3bwv n HIS 83 Cb 0.39 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.35 3bwv n HIS 83 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3bwv s TYR 84 N -1.56 1.74 -0.00 4.41 1.51 0.48 -4.40 117.35 119.52 3bwv s TYR 84 Ca 0.00 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 3bwv s TYR 84 Cb 0.01 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3bwv s TYR 84 CO 0.05 0.11 1.15 -0.51 -1.11 0.00 0.00 175.55 175.24 3bwv s ASP 85 N -1.34 7.12 -0.18 2.29 1.01 -0.12 -4.21 116.67 121.25 3bwv s ASP 85 Ca 0.07 1.85 -0.07 0.00 0.71 0.00 0.00 52.55 55.11 3bwv s ASP 85 Cb -0.09 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3bwv s ASP 85 CO 0.02 -0.48 0.04 -0.63 0.21 0.00 0.00 175.17 174.34 3bwv s ILE 86 N 1.57 4.62 0.11 0.77 -1.09 -1.26 -0.99 121.20 124.92 3bwv s ILE 86 Ca 0.56 -0.09 0.10 0.00 -2.23 0.00 0.00 60.65 58.98 3bwv s ILE 86 Cb -0.26 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 3bwv s ILE 86 CO 0.25 0.46 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.90 3bwv s TYR 87 N 0.38 2.43 -0.09 3.97 1.51 -0.51 -4.84 117.35 120.21 3bwv s TYR 87 Ca 0.02 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3bwv s TYR 87 Cb -0.13 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3bwv s TYR 87 CO 0.01 0.33 -0.18 0.42 -1.11 0.00 0.00 175.55 175.02 3bwv s ILE 88 N -1.06 2.70 -0.00 2.71 -1.09 -0.43 -0.56 121.20 123.46 3bwv s ILE 88 Ca 0.16 -0.82 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 3bwv s ILE 88 Cb -0.10 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3bwv s ILE 88 CO 0.07 0.56 -0.13 0.00 -1.23 0.00 0.00 174.94 174.21 3bwv s ALA 89 N -0.07 1.05 0.08 9.38 0.00 -0.13 -0.92 121.76 131.15 3bwv s ALA 89 Ca -0.04 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 3bwv s ALA 89 Cb -0.14 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.79 3bwv s ALA 89 CO 0.04 0.25 0.60 -0.08 0.00 0.00 0.00 175.76 176.57 3bwv s THR 90 N -0.38 0.01 0.45 0.00 -1.32 -0.73 -4.07 115.64 109.59 3bwv s THR 90 Ca 0.04 -0.08 -0.24 0.00 -1.21 0.00 0.00 61.69 60.21 3bwv s THR 90 Cb -0.05 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.86 3bwv s THR 90 CO -0.00 -0.04 1.19 0.00 -2.21 0.00 0.00 174.62 173.55 3bwv s ALA 91 N -2.76 3.03 -1.26 11.08 0.00 -1.22 -1.14 121.76 129.49 3bwv s ALA 91 Ca -0.04 0.99 0.18 0.00 0.00 0.00 0.00 51.96 53.09 3bwv s ALA 91 Cb -0.01 -3.40 0.61 0.00 0.00 0.00 0.00 23.12 20.33 3bwv s ALA 91 CO -0.04 -0.68 1.52 0.00 0.00 0.00 0.00 175.76 176.56 3bwv n ALA 92 N -0.34 2.71 -0.32 0.00 0.00 -1.25 -4.76 120.51 116.55 3bwv n ALA 92 Ca 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.02 3bwv n ALA 92 Cb 0.47 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3bwv n ALA 92 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3bwv n ASP 94 N 1.05 0.00 -3.24 0.00 5.68 -1.26 -3.47 116.55 115.30 3bwv n ASP 94 Ca 0.23 0.20 -0.06 0.00 -0.50 0.00 0.00 54.79 54.65 3bwv n ASP 94 Cb 0.73 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3bwv n ASP 94 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3bwv n VAL 95 N 0.94 -8.47 -0.30 2.12 0.31 -1.26 -4.90 118.33 106.78 3bwv n VAL 95 Ca 0.00 -0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.28 3bwv n VAL 95 Cb 0.00 -5.93 0.27 0.00 -0.91 0.00 0.00 33.84 27.27 3bwv n VAL 95 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3bwv h PRO 96 N 0.31 0.42 0.00 5.55 0.11 -1.97 -2.12 132.00 134.31 3bwv h PRO 96 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3bwv h PRO 96 Cb 1.10 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3bwv h PRO 96 CO 0.31 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.63 3bwv n THR 97 N -5.02 1.10 0.74 -1.15 -2.24 -1.26 -2.54 114.28 103.90 3bwv n THR 97 Ca 0.20 0.37 0.12 0.00 -2.27 0.00 0.00 64.05 62.47 3bwv n THR 97 Cb 0.58 -1.27 0.20 0.00 -2.10 0.00 0.00 70.33 67.73 3bwv n THR 97 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3bwv n SER 98 N -1.92 3.02 -0.32 3.42 3.41 -0.80 -4.55 113.62 115.88 3bwv n SER 98 Ca 0.02 -1.95 -0.08 0.00 -0.26 0.00 0.00 58.87 56.60 3bwv n SER 98 Cb 0.14 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3bwv n SER 98 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3bwv h PHE 99 N 4.28 -1.46 -0.55 7.33 3.57 -1.63 -1.31 116.94 127.18 3bwv h PHE 99 Ca 0.00 0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3bwv h PHE 99 Cb 0.93 0.75 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 3bwv h PHE 99 CO 0.12 -0.41 0.03 1.25 -2.23 0.00 0.00 178.31 177.07 3bwv h HIS 100 N -0.10 1.04 -0.84 0.41 2.76 -1.86 -2.93 115.15 113.63 3bwv h HIS 100 Ca 0.21 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3bwv h HIS 100 Cb 0.53 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 3bwv h HIS 100 CO -0.86 0.93 0.43 -0.44 -1.30 0.00 0.00 177.93 176.70 3bwv h ASP 101 N 0.84 1.06 -0.40 3.26 3.32 -1.80 -1.25 116.42 121.45 3bwv h ASP 101 Ca 0.16 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3bwv h ASP 101 Cb 0.50 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3bwv h ASP 101 CO 0.02 0.87 0.18 0.11 -1.72 0.00 0.00 179.24 178.70 3bwv h LYS 102 N 1.18 0.59 -0.60 3.56 1.57 -1.18 -0.30 116.57 121.38 3bwv h LYS 102 Ca 0.29 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3bwv h LYS 102 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3bwv h LYS 102 CO -0.04 0.54 0.35 -0.92 -0.57 0.00 0.00 179.45 178.81 3bwv h TYR 103 N 0.50 0.79 -0.23 -1.35 3.20 -1.32 -1.90 116.97 116.66 3bwv h TYR 103 Ca 0.14 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 3bwv h TYR 103 Cb 0.16 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3bwv h TYR 103 CO -0.01 0.55 -0.32 0.93 -1.64 0.00 0.00 178.16 177.67 3bwv h GLU 104 N 0.81 0.48 -0.71 1.82 3.07 -1.04 -1.51 114.58 117.50 3bwv h GLU 104 Ca 0.21 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3bwv h GLU 104 Cb -0.01 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3bwv h GLU 104 CO -0.04 0.75 0.45 2.35 -1.40 0.00 0.00 179.01 181.12 3bwv h TRP 105 N 0.41 0.92 -0.43 4.33 7.01 -0.74 -1.47 115.95 125.99 3bwv h TRP 105 Ca 0.05 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 3bwv h TRP 105 Cb 0.76 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 3bwv h TRP 105 CO 0.03 0.60 0.09 -0.07 -2.79 0.00 0.00 178.44 176.29 3bwv h LEU 106 N 0.97 0.67 -0.93 0.65 3.38 -0.98 -1.11 115.31 117.97 3bwv h LEU 106 Ca 0.26 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3bwv h LEU 106 Cb -0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3bwv h LEU 106 CO -0.05 0.74 0.61 -0.07 0.09 0.00 0.00 178.44 179.76 3bwv h LEU 107 N 0.57 1.05 -0.15 1.67 3.38 -1.15 0.16 115.31 120.84 3bwv h LEU 107 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3bwv h LEU 107 Cb 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3bwv h LEU 107 CO 0.00 0.76 -0.09 -0.08 0.09 0.00 0.00 178.44 179.12 3bwv h GLU 108 N 1.24 0.33 0.00 1.13 4.81 -0.81 -3.25 114.58 118.03 3bwv h GLU 108 Ca 0.34 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3bwv h GLU 108 Cb -0.13 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3bwv h GLU 108 CO -0.08 0.67 -1.58 0.66 -0.73 0.00 0.00 179.01 177.95 3bwv n TYR 109 N -4.62 0.43 -2.79 0.92 4.01 -0.46 -4.42 117.16 110.23 3bwv n TYR 109 Ca -0.06 0.13 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 3bwv n TYR 109 Cb 0.31 -0.72 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 3bwv n TYR 109 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3bwv n PHE 110 N -2.47 2.80 0.31 -0.72 3.01 0.54 -4.92 117.46 116.02 3bwv n PHE 110 Ca -0.03 -3.51 0.16 0.00 1.01 0.00 0.00 57.45 55.07 3bwv n PHE 110 Cb 0.59 -0.33 0.71 0.00 -0.01 0.00 0.00 39.48 40.43 3bwv n PHE 110 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3bwv h PRO 111 N 2.86 0.00 -0.00 -1.08 0.13 -1.68 -2.37 132.00 129.85 3bwv h PRO 111 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3bwv h PRO 111 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3bwv h PRO 111 CO 0.73 0.00 -0.08 1.97 -0.23 0.00 0.00 178.00 180.39 3bwv n PHE 112 N -2.77 0.00 -3.39 1.56 1.16 -1.26 -4.83 117.46 107.93 3bwv n PHE 112 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 3bwv n PHE 112 Cb 0.22 -0.34 -0.06 0.00 -1.61 0.00 0.00 39.48 37.70 3bwv n PHE 112 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3bwv s LEU 113 N -2.77 4.21 -0.00 5.98 1.43 -0.89 -5.03 118.68 121.61 3bwv s LEU 113 Ca 0.21 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 3bwv s LEU 113 Cb 0.19 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.77 3bwv s LEU 113 CO 0.52 -0.03 1.69 -0.62 0.23 0.00 0.00 176.35 178.14 3bwv s ASP 114 N -2.17 6.63 0.62 2.29 -1.08 -1.26 -4.89 116.67 116.80 3bwv s ASP 114 Ca 0.45 2.37 0.37 0.00 -0.52 0.00 0.00 52.55 55.22 3bwv s ASP 114 Cb -0.12 -2.54 2.04 0.00 -1.46 0.00 0.00 42.92 40.83 3bwv s ASP 114 CO 0.20 -0.92 2.27 -0.65 0.52 0.00 0.00 175.17 176.59 3bwv h PRO 115 N 9.24 0.00 0.00 4.34 0.11 -1.94 -0.74 132.00 143.00 3bwv h PRO 115 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3bwv h PRO 115 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bwv h PRO 115 CO 0.94 0.02 0.00 1.04 -0.21 0.00 0.00 178.00 179.79 3bwv n GLN 116 N -3.37 0.09 -0.38 1.05 1.13 -1.26 -2.67 117.38 111.97 3bwv n GLN 116 Ca -0.02 0.40 0.06 0.00 -1.94 0.00 0.00 57.00 55.49 3bwv n GLN 116 Cb 0.12 -1.69 0.22 0.00 0.11 0.00 0.00 30.24 29.00 3bwv n GLN 116 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bwv n HIS 117 N -1.86 0.92 -3.53 1.08 8.25 -0.28 -4.83 115.22 114.95 3bwv n HIS 117 Ca 0.02 -0.37 -0.38 0.00 -0.26 0.00 0.00 57.72 56.73 3bwv n HIS 117 Cb 0.15 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.00 3bwv n HIS 117 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3bwv s PHE 118 N -1.70 3.23 -0.06 4.41 0.08 -1.09 -1.32 117.98 121.53 3bwv s PHE 118 Ca 0.32 0.17 0.06 0.00 0.12 0.00 0.00 56.93 57.60 3bwv s PHE 118 Cb 0.20 -2.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 3bwv s PHE 118 CO 0.16 -0.19 -0.24 0.08 -0.10 0.00 0.00 175.22 174.92 3bwv s VAL 119 N 1.84 1.99 -0.23 -0.44 1.01 -0.10 -4.97 120.40 119.50 3bwv s VAL 119 Ca 0.09 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3bwv s VAL 119 Cb -0.16 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3bwv s VAL 119 CO 0.11 0.55 0.01 -0.36 0.00 0.00 0.00 175.10 175.42 3bwv s PHE 120 N -0.15 3.03 0.17 5.22 0.40 -1.26 -1.77 117.98 123.62 3bwv s PHE 120 Ca -0.03 -0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 55.50 3bwv s PHE 120 Cb -0.13 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.27 3bwv s PHE 120 CO 0.03 -0.41 0.49 0.00 0.70 0.00 0.00 175.22 176.03 3bwv n GLY 122 N -0.31 1.13 3.69 0.00 0.00 -1.26 -3.46 105.19 104.98 3bwv n GLY 122 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3bwv n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bwv s ARG 123 N -0.05 4.37 0.00 1.61 0.52 -1.26 -4.87 118.95 119.27 3bwv s ARG 123 Ca 0.00 0.96 0.26 0.00 -0.52 0.00 0.00 55.73 56.43 3bwv s ARG 123 Cb 0.00 -3.51 1.27 0.00 0.52 0.00 0.00 34.95 33.23 3bwv s ARG 123 CO 0.00 -0.14 1.85 1.63 0.02 0.00 0.00 175.30 178.66 3bwv n LYS 124 N 4.52 1.34 0.12 3.54 5.02 -1.26 -3.33 118.16 128.12 3bwv n LYS 124 Ca 0.02 -0.50 0.10 0.00 -2.02 0.00 0.00 58.31 55.91 3bwv n LYS 124 Cb 0.50 -1.43 0.47 0.00 -0.02 0.00 0.00 35.03 34.55 3bwv n LYS 124 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3bwv n ASN 125 N -0.35 0.51 0.07 4.39 6.94 -1.26 -1.72 115.26 123.84 3bwv n ASN 125 Ca 0.19 0.68 0.12 0.00 -0.02 0.00 0.00 54.58 55.55 3bwv n ASN 125 Cb 0.22 -0.77 0.46 0.00 -2.36 0.00 0.00 39.78 37.33 3bwv n ASN 125 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bwv n ILE 126 N -2.12 0.59 -2.94 1.53 0.13 -1.21 -4.71 119.36 110.63 3bwv n ILE 126 Ca 0.01 -0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.24 3bwv n ILE 126 Cb 0.12 -0.79 -0.04 0.00 -0.84 0.00 0.00 39.64 38.09 3bwv n ILE 126 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3bwv s ILE 127 N -3.12 4.92 -0.64 9.51 1.01 -0.70 -5.01 121.20 127.16 3bwv s ILE 127 Ca 0.09 1.54 -0.22 0.00 0.00 0.00 0.00 60.65 62.06 3bwv s ILE 127 Cb 0.12 -4.10 0.07 0.00 0.01 0.00 0.00 42.46 38.57 3bwv s ILE 127 CO 0.48 0.06 0.93 -0.22 0.00 0.00 0.00 174.94 176.18 3bwv s LEU 128 N 2.01 4.45 0.16 2.97 2.96 -1.26 -4.75 118.68 125.22 3bwv s LEU 128 Ca 0.37 -0.95 -0.21 0.00 -0.22 0.00 0.00 54.13 53.12 3bwv s LEU 128 Cb -0.17 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 44.12 3bwv s LEU 128 CO 0.12 -1.37 0.55 0.00 -1.32 0.00 0.00 176.35 174.33 3bwv s ALA 129 N 3.90 -1.34 0.10 5.97 0.00 -1.26 -5.01 121.76 124.12 3bwv s ALA 129 Ca 0.22 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3bwv s ALA 129 Cb -0.17 0.83 -0.24 0.00 0.00 0.00 0.00 23.12 23.55 3bwv s ALA 129 CO 0.11 -0.76 1.22 -0.44 0.00 0.00 0.00 175.76 175.90 3bwv h ASP 130 N 2.11 0.19 -4.56 0.00 3.32 -1.49 -3.37 116.42 112.63 3bwv h ASP 130 Ca -0.33 -0.21 -0.33 0.00 0.02 0.00 0.00 57.03 56.19 3bwv h ASP 130 Cb 1.29 -0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 3bwv h ASP 130 CO 0.39 1.16 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.01 3bwv s TYR 131 N -2.70 0.84 -0.08 4.55 2.02 -0.87 -0.68 117.35 120.42 3bwv s TYR 131 Ca -0.01 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3bwv s TYR 131 Cb 0.09 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.18 3bwv s TYR 131 CO 0.85 -0.03 -0.07 -1.17 -1.57 0.00 0.00 175.55 173.56 3bwv s LEU 132 N -1.41 1.26 -0.36 -1.29 2.96 -0.56 -0.99 118.68 118.29 3bwv s LEU 132 Ca -0.06 -0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 3bwv s LEU 132 Cb -0.09 -0.67 0.01 0.00 0.50 0.00 0.00 46.19 45.94 3bwv s LEU 132 CO 0.01 -0.07 0.22 -0.63 -1.32 0.00 0.00 176.35 174.56 3bwv s ILE 133 N 1.25 4.90 -0.05 6.68 1.01 -0.17 -0.66 121.20 134.17 3bwv s ILE 133 Ca -0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3bwv s ILE 133 Cb -0.14 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3bwv s ILE 133 CO -0.02 -0.13 0.27 -0.62 0.00 0.00 0.00 174.94 174.44 3bwv s ASP 134 N 1.64 -0.20 0.17 3.58 -1.08 -0.84 -1.38 116.67 118.56 3bwv s ASP 134 Ca 0.04 0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.55 3bwv s ASP 134 Cb -0.18 0.40 0.70 0.00 -1.46 0.00 0.00 42.92 42.38 3bwv s ASP 134 CO 0.08 -0.30 1.66 -0.90 0.52 0.00 0.00 175.17 176.23 3bwv n ASP 135 N 1.92 0.74 -4.53 -0.34 5.75 -1.26 -1.74 116.55 117.09 3bwv n ASP 135 Ca -0.19 0.44 -0.41 0.00 -0.01 0.00 0.00 54.79 54.62 3bwv n ASP 135 Cb 0.57 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 40.05 3bwv n ASP 135 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3bwv s ASN 136 N -4.34 6.20 0.54 -1.12 3.84 -1.26 -4.81 114.94 113.98 3bwv s ASN 136 Ca 0.10 -0.29 0.25 0.00 0.21 0.00 0.00 52.86 53.13 3bwv s ASN 136 Cb 0.13 -2.21 1.41 0.00 -0.55 0.00 0.00 41.25 40.03 3bwv s ASN 136 CO 0.63 -0.40 2.01 -0.65 -2.79 0.00 0.00 177.10 175.90 3bwv h PRO 137 N 8.51 0.00 0.00 0.43 0.11 -1.98 -0.67 132.00 138.39 3bwv h PRO 137 Ca -0.29 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 3bwv h PRO 137 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3bwv h PRO 137 CO 0.72 0.00 -0.47 0.87 -0.21 0.00 0.00 178.00 178.91 3bwv h LYS 138 N 0.00 0.00 0.14 1.05 6.56 -1.99 0.12 116.57 122.45 3bwv h LYS 138 Ca 0.23 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.50 3bwv h LYS 138 Cb 0.94 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 3bwv h LYS 138 CO -0.00 0.47 -1.55 1.96 -2.06 0.00 0.00 179.45 178.27 3bwv h GLN 139 N 0.00 0.30 -0.51 3.15 1.08 -1.57 -3.33 115.11 114.23 3bwv h GLN 139 Ca -0.00 -0.52 -0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3bwv h GLN 139 Cb 0.91 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.50 3bwv h GLN 139 CO 0.06 1.19 0.30 -0.07 -0.95 0.00 0.00 178.83 179.36 3bwv h LEU 140 N 0.08 0.61 -0.94 1.46 3.38 -0.98 -2.27 115.31 116.66 3bwv h LEU 140 Ca -0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3bwv h LEU 140 Cb 2.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3bwv h LEU 140 CO 0.18 0.48 0.00 1.05 0.09 0.00 0.00 178.44 180.24 3bwv h GLU 141 N 0.70 0.00 0.00 1.13 4.11 -0.89 -3.27 114.58 116.37 3bwv h GLU 141 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 3bwv h GLU 141 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3bwv h GLU 141 CO -0.03 0.00 -1.18 0.44 0.07 0.00 0.00 179.01 178.30 3bwv n ILE 142 N -2.83 0.00 -2.00 -1.06 -5.35 -1.01 -4.99 119.36 102.12 3bwv n ILE 142 Ca 0.02 -0.26 -0.41 0.00 -0.27 0.00 0.00 62.75 61.83 3bwv n ILE 142 Cb 0.33 0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 38.75 3bwv n ILE 142 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3bwv s PHE 143 N -2.62 2.92 -2.62 4.28 5.36 -0.89 -4.51 117.98 119.91 3bwv s PHE 143 Ca -0.01 1.21 0.25 0.00 -0.96 0.00 0.00 56.93 57.42 3bwv s PHE 143 Cb 0.09 -3.82 0.38 0.00 -0.34 0.00 0.00 43.02 39.33 3bwv s PHE 143 CO 0.54 -2.45 1.36 0.39 -1.46 0.00 0.00 175.22 173.59 3bwv n GLU 144 N 1.28 1.86 0.00 10.12 1.02 -1.26 -4.85 120.64 128.81 3bwv n GLU 144 Ca 0.03 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 3bwv n GLU 144 Cb 0.40 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3bwv n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bwv n GLY 145 N 1.32 1.73 3.67 0.62 0.00 -1.26 -5.06 105.19 106.21 3bwv n GLY 145 Ca 0.14 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3bwv n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bwv s LYS 146 N 2.92 4.32 -0.15 1.61 2.47 0.14 -4.94 119.74 126.10 3bwv s LYS 146 Ca 0.00 1.30 -0.18 0.00 -1.56 0.00 0.00 55.97 55.52 3bwv s LYS 146 Cb 0.00 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 3bwv s LYS 146 CO 0.00 -0.47 0.50 -1.12 0.16 0.00 0.00 175.35 174.42 3bwv s SER 147 N 1.17 6.64 0.00 1.43 0.01 -1.26 -1.49 113.70 120.19 3bwv s SER 147 Ca 0.44 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.47 3bwv s SER 147 Cb -0.16 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3bwv s SER 147 CO 0.11 -0.08 0.00 -0.38 0.41 0.00 0.00 173.24 173.30 3bwv n ILE 148 N 4.04 0.00 -3.65 1.44 2.08 0.17 -4.23 119.36 119.21 3bwv n ILE 148 Ca -0.06 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.21 3bwv n ILE 148 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.34 3bwv n ILE 148 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3bwv s PHE 150 N 0.72 -1.13 0.23 1.39 5.36 -0.71 -1.98 117.98 121.85 3bwv s PHE 150 Ca 0.00 2.06 -0.32 0.00 -0.96 0.00 0.00 56.93 57.71 3bwv s PHE 150 Cb 0.00 0.63 -0.13 0.00 -0.34 0.00 0.00 43.02 43.19 3bwv s PHE 150 CO 0.00 -0.58 1.55 2.41 -1.46 0.00 0.00 175.22 177.13 3bwv n THR 151 N 5.16 0.60 -3.97 0.12 -1.04 -0.24 -4.20 114.28 110.72 3bwv n THR 151 Ca -0.13 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.05 61.64 3bwv n THR 151 Cb 0.51 -1.70 -0.09 0.00 -1.82 0.00 0.00 70.33 67.23 3bwv n THR 151 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bwv s ALA 152 N 0.37 0.11 0.26 2.41 0.00 -1.26 -4.83 121.76 118.81 3bwv s ALA 152 Ca 0.71 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3bwv s ALA 152 Cb -0.59 0.28 0.47 0.00 0.00 0.00 0.00 23.12 23.28 3bwv s ALA 152 CO 0.44 -0.35 1.79 0.66 0.00 0.00 0.00 175.76 178.30 3bwv h SER 153 N 3.44 0.63 0.67 0.00 4.64 -1.94 -1.78 113.55 119.22 3bwv h SER 153 Ca -0.33 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3bwv h SER 153 Cb 1.17 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3bwv h SER 153 CO 0.56 0.32 -0.03 1.12 -0.87 0.00 0.00 176.83 177.93 3bwv h HIS 154 N 0.74 0.00 -0.39 4.77 2.07 -1.72 0.94 115.15 121.55 3bwv h HIS 154 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3bwv h HIS 154 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 3bwv h HIS 154 CO -0.07 0.03 0.00 0.27 -3.07 0.00 0.00 177.93 175.09 3bwv n ASN 155 N -3.18 3.05 0.30 3.10 0.23 -0.68 -4.20 115.26 113.88 3bwv n ASN 155 Ca -0.01 -1.95 0.20 0.00 -0.53 0.00 0.00 54.58 52.30 3bwv n ASN 155 Cb 0.25 -0.26 1.02 0.00 -2.08 0.00 0.00 39.78 38.71 3bwv n ASN 155 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 3bwv h VAL 156 N 2.60 0.00 -0.10 3.53 -1.51 -1.50 -1.65 116.25 117.62 3bwv h VAL 156 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3bwv h VAL 156 Cb 0.77 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3bwv h VAL 156 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 3bwv n TYR 157 N -2.98 0.11 -2.44 5.19 4.01 -1.26 -4.95 117.16 114.83 3bwv n TYR 157 Ca -0.02 -0.05 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 3bwv n TYR 157 Cb 0.13 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 3bwv n TYR 157 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3bwv s GLU 158 N -1.89 4.52 0.00 -0.72 2.56 -0.62 -4.98 118.70 117.57 3bwv s GLU 158 Ca 0.31 1.79 0.01 0.00 0.00 0.00 0.00 54.97 57.07 3bwv s GLU 158 Cb 0.21 -3.28 -0.00 0.00 2.00 0.00 0.00 34.13 33.05 3bwv s GLU 158 CO 0.31 -0.06 0.22 0.72 -0.56 0.00 0.00 175.26 175.88 3bwv n HIS 159 N 2.78 0.00 0.21 5.30 8.25 -1.26 -4.82 115.22 125.68 3bwv n HIS 159 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 3bwv n HIS 159 Cb 0.46 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.02 3bwv n HIS 159 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bwv h ARG 160 N 0.05 0.00 -6.55 -0.41 3.08 -2.00 -3.45 114.38 105.10 3bwv h ARG 160 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3bwv h ARG 160 Cb 0.02 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.91 3bwv h ARG 160 CO 0.00 0.29 -0.74 -0.06 -1.07 0.00 0.00 179.97 178.38 3bwv s PHE 161 N -3.86 2.67 0.10 3.04 0.08 -1.26 -5.08 117.98 113.67 3bwv s PHE 161 Ca -0.01 -0.19 -0.36 0.00 0.12 0.00 0.00 56.93 56.49 3bwv s PHE 161 Cb 0.12 -1.37 -0.16 0.00 -0.57 0.00 0.00 43.02 41.04 3bwv s PHE 161 CO 0.66 0.45 1.45 -1.91 -0.10 0.00 0.00 175.22 175.76 3bwv n GLU 162 N 0.51 1.53 -4.93 0.44 4.07 -1.26 -4.97 120.64 116.03 3bwv n GLU 162 Ca -0.13 0.55 -0.33 0.00 -0.06 0.00 0.00 57.16 57.20 3bwv n GLU 162 Cb 0.53 -2.25 -0.14 0.00 -0.06 0.00 0.00 31.44 29.53 3bwv n GLU 162 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 3bwv s ARG 163 N 0.78 2.66 -0.09 5.31 3.52 -1.26 -4.51 118.95 125.36 3bwv s ARG 163 Ca 0.83 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 3bwv s ARG 163 Cb -0.85 -2.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.16 3bwv s ARG 163 CO 0.44 0.52 -0.17 0.14 -0.81 0.00 0.00 175.30 175.42 3bwv s VAL 164 N -0.46 1.52 -0.71 7.11 -7.23 -1.26 -5.03 120.40 114.34 3bwv s VAL 164 Ca 0.06 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 3bwv s VAL 164 Cb -0.12 -1.36 0.18 0.00 0.56 0.00 0.00 36.38 35.65 3bwv s VAL 164 CO 0.02 0.44 0.57 -0.44 -0.31 0.00 0.00 175.10 175.38 3bwv s SER 165 N 0.63 5.70 0.00 4.85 0.01 -1.26 -1.08 113.70 122.55 3bwv s SER 165 Ca -0.14 -2.94 0.00 0.00 1.31 0.00 0.00 55.95 54.18 3bwv s SER 165 Cb -0.16 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.12 3bwv s SER 165 CO 0.04 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.91 3bwv n GLY 166 N 3.44 2.26 0.24 3.44 0.00 -1.26 -4.42 105.19 108.90 3bwv n GLY 166 Ca 0.11 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.21 3bwv n GLY 166 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3bwv h TRP 167 N 0.00 0.24 -0.44 1.61 4.06 -1.93 -2.37 115.95 117.12 3bwv h TRP 167 Ca 0.00 -0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 3bwv h TRP 167 Cb 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 3bwv h TRP 167 CO 0.00 0.36 0.12 0.00 -3.56 0.00 0.00 178.44 175.37 3bwv h ARG 168 N 0.22 0.65 -0.60 0.49 3.08 -1.86 -2.03 114.38 114.33 3bwv h ARG 168 Ca 0.05 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3bwv h ARG 168 Cb 0.37 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3bwv h ARG 168 CO 0.02 0.58 0.01 -0.44 -1.07 0.00 0.00 179.97 179.08 3bwv h ASP 169 N 0.64 1.02 -0.14 7.04 5.19 -1.67 -1.83 116.42 126.68 3bwv h ASP 169 Ca 0.15 -0.28 0.03 0.00 -0.62 0.00 0.00 57.03 56.31 3bwv h ASP 169 Cb 0.22 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 3bwv h ASP 169 CO -0.01 1.06 -0.05 0.58 -3.12 0.00 0.00 179.24 177.71 3bwv h VAL 170 N 0.96 0.83 -0.61 -1.35 2.07 -0.94 0.05 116.25 117.25 3bwv h VAL 170 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3bwv h VAL 170 Cb 0.54 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3bwv h VAL 170 CO 0.03 0.00 0.39 0.50 0.02 0.00 0.00 177.57 178.51 3bwv h LYS 171 N -0.02 0.81 -0.78 1.57 3.64 -1.22 -2.13 116.57 118.43 3bwv h LYS 171 Ca 0.07 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3bwv h LYS 171 Cb 0.13 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3bwv h LYS 171 CO -0.16 0.55 0.36 -0.91 -2.27 0.00 0.00 179.45 177.03 3bwv h ASN 172 N 0.82 1.04 0.02 4.20 2.35 -1.16 0.23 115.58 123.08 3bwv h ASN 172 Ca 0.22 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3bwv h ASN 172 Cb -0.07 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 3bwv h ASN 172 CO -0.05 0.89 -0.07 0.22 -1.65 0.00 0.00 177.43 176.78 3bwv h TYR 173 N 1.11 -0.17 -0.36 1.19 3.20 -0.50 -1.52 116.97 119.92 3bwv h TYR 173 Ca 0.27 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 3bwv h TYR 173 Cb 0.14 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3bwv h TYR 173 CO 0.01 -0.10 -0.22 0.74 -1.64 0.00 0.00 178.16 176.94 3bwv h PHE 174 N -0.13 0.79 -0.27 -3.82 0.04 -1.24 -2.02 116.94 110.31 3bwv h PHE 174 Ca 0.02 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.62 3bwv h PHE 174 Cb 0.15 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3bwv h PHE 174 CO -0.12 0.87 0.18 -0.91 -0.60 0.00 0.00 178.31 177.72 3bwv h ASN 175 N 0.62 0.28 1.22 2.17 2.35 -0.74 -2.84 115.58 118.63 3bwv h ASN 175 Ca 0.09 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3bwv h ASN 175 Cb 0.71 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3bwv h ASN 175 CO 0.05 0.20 -0.35 0.77 -1.65 0.00 0.00 177.43 176.46 3bwv h SER 176 N 0.33 0.00 -0.02 5.81 4.64 -0.52 -3.09 113.55 120.70 3bwv h SER 176 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3bwv h SER 176 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3bwv h SER 176 CO -0.02 0.35 -0.20 2.30 -0.87 0.00 0.00 176.83 178.39 3bwv n ILE 177 N -3.32 0.00 0.85 0.95 -5.35 -1.13 -5.12 119.36 106.24 3bwv n ILE 177 Ca 0.01 -0.39 0.10 0.00 -0.27 0.00 0.00 62.75 62.21 3bwv n ILE 177 Cb 0.57 1.34 0.08 0.00 -1.74 0.00 0.00 39.64 39.90 3bwv n ILE 177 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17