#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vwe n GLU 14 N 0.00 0.00 -0.06 0.00 2.13 -1.26 0.45 120.64 121.90 1vwe n GLU 14 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1vwe n GLU 14 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1vwe n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vwe h ALA 15 N -0.01 0.25 -0.30 4.31 0.00 -1.93 -0.58 119.26 121.00 1vwe h ALA 15 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1vwe h ALA 15 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vwe h ALA 15 CO 0.00 -0.37 0.25 0.78 0.00 0.00 0.00 179.25 179.90 1vwe h GLY 16 N 0.14 0.00 1.13 0.00 0.00 -0.44 -2.17 103.07 101.72 1vwe h GLY 16 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.12 1vwe h GLY 16 CO -0.15 0.00 -1.61 -2.22 0.00 0.00 0.00 176.54 172.56 1vwe h ILE 17 N 0.00 1.07 -2.86 2.60 2.04 -1.31 -3.46 117.51 115.58 1vwe h ILE 17 Ca 0.14 -2.70 -0.57 0.00 1.00 0.00 0.00 64.86 62.72 1vwe h ILE 17 Cb 0.64 2.74 0.09 0.00 -0.74 0.00 0.00 36.82 39.55 1vwe h ILE 17 CO -0.00 0.82 0.64 0.41 0.00 0.00 0.00 178.15 180.02 1vwe n THR 18 N -3.48 1.11 0.00 -0.27 -1.04 -0.36 -4.77 114.28 105.47 1vwe n THR 18 Ca -0.19 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1vwe n THR 18 Cb 1.05 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1vwe n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vwe n GLY 19 N 1.96 0.85 3.70 3.41 0.00 -0.12 -4.98 105.19 110.02 1vwe n GLY 19 Ca 0.10 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1vwe n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vwe s THR 20 N -1.90 4.85 0.05 2.61 2.01 -1.26 -1.59 115.64 120.41 1vwe s THR 20 Ca 0.00 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1vwe s THR 20 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1vwe s THR 20 CO 0.00 0.53 -0.18 0.26 -0.69 0.00 0.00 174.62 174.54 1vwe s TRP 21 N -0.25 1.59 0.05 4.92 0.52 0.21 -4.59 118.94 121.38 1vwe s TRP 21 Ca 0.08 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 55.89 1vwe s TRP 21 Cb -0.12 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1vwe s TRP 21 CO 0.01 0.09 -0.19 0.71 0.02 0.00 0.00 176.95 177.59 1vwe s TYR 22 N -0.89 1.66 0.42 -1.98 2.02 0.01 -1.11 117.35 117.48 1vwe s TYR 22 Ca 0.05 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1vwe s TYR 22 Cb -0.09 -0.98 0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1vwe s TYR 22 CO 0.02 0.09 0.35 0.27 -1.57 0.00 0.00 175.55 174.71 1vwe n ASN 23 N 1.79 2.21 0.00 2.29 6.94 -0.92 -1.11 115.26 126.46 1vwe n ASN 23 Ca -0.18 -2.38 0.05 0.00 -0.02 0.00 0.00 54.58 52.05 1vwe n ASN 23 Cb 0.54 -0.08 0.25 0.00 -2.36 0.00 0.00 39.78 38.13 1vwe n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vwe n GLN 24 N -1.55 0.04 -0.00 -3.83 1.13 -1.25 -2.80 117.38 109.12 1vwe n GLN 24 Ca 0.01 0.28 0.09 0.00 -1.94 0.00 0.00 57.00 55.44 1vwe n GLN 24 Cb 0.47 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.20 1vwe n GLN 24 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1vwe n LEU 25 N -1.44 0.66 0.00 1.08 4.32 -1.26 -4.96 117.00 115.39 1vwe n LEU 25 Ca 0.03 -0.36 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1vwe n LEU 25 Cb 0.12 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1vwe n LEU 25 CO 0.10 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1vwe n GLY 26 N 1.43 2.06 3.68 -0.72 0.00 -1.12 -4.92 105.19 105.60 1vwe n GLY 26 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1vwe n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vwe n SER 27 N 0.00 1.66 -4.23 1.61 7.64 -1.26 -4.76 113.62 114.28 1vwe n SER 27 Ca 0.00 0.88 -0.22 0.00 1.01 0.00 0.00 58.87 60.54 1vwe n SER 27 Cb 0.00 -1.48 -0.13 0.00 -1.01 0.00 0.00 64.21 61.59 1vwe n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vwe s THR 28 N -1.40 1.46 -0.01 0.44 2.01 -0.74 -2.17 115.64 115.24 1vwe s THR 28 Ca 0.75 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1vwe s THR 28 Cb -0.42 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 70.76 1vwe s THR 28 CO 0.47 -0.04 -0.04 0.12 -0.69 0.00 0.00 174.62 174.45 1vwe s PHE 29 N -1.06 0.38 -0.12 4.92 5.36 -0.27 -0.32 117.98 126.86 1vwe s PHE 29 Ca 0.04 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1vwe s PHE 29 Cb -0.09 -0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.32 1vwe s PHE 29 CO 0.03 -0.03 -0.17 0.42 -1.46 0.00 0.00 175.22 174.01 1vwe s ILE 30 N 0.08 1.67 0.08 3.12 1.01 -0.05 -0.62 121.20 126.49 1vwe s ILE 30 Ca -0.00 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1vwe s ILE 30 Cb -0.04 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1vwe s ILE 30 CO -0.00 0.47 -0.09 0.68 0.00 0.00 0.00 174.94 176.01 1vwe s VAL 31 N 0.99 0.75 -0.10 2.92 -7.23 -0.62 -1.52 120.40 115.58 1vwe s VAL 31 Ca -0.06 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1vwe s VAL 31 Cb -0.15 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1vwe s VAL 31 CO -0.03 -0.57 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.14 1vwe s THR 32 N -2.35 1.58 -0.25 5.32 2.01 -0.27 -0.94 115.64 120.73 1vwe s THR 32 Ca 0.02 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 1vwe s THR 32 Cb -0.03 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1vwe s THR 32 CO -0.01 0.46 0.11 0.00 -0.69 0.00 0.00 174.62 174.49 1vwe s ALA 33 N 0.84 3.33 0.27 7.40 0.00 -1.26 -1.79 121.76 130.54 1vwe s ALA 33 Ca -0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1vwe s ALA 33 Cb -0.16 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1vwe s ALA 33 CO 0.01 -0.42 0.50 0.20 0.00 0.00 0.00 175.76 176.05 1vwe s GLY 34 N 1.50 1.80 0.21 0.00 0.00 0.96 -4.80 107.32 106.99 1vwe s GLY 34 Ca 0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 44.72 44.05 1vwe s GLY 34 CO 0.06 -0.58 1.19 0.00 0.00 0.00 0.00 173.10 173.77 1vwe n ALA 35 N -0.91 0.15 -1.40 3.20 0.00 -1.26 -1.84 120.51 118.45 1vwe n ALA 35 Ca -0.03 0.83 -0.31 0.00 0.00 0.00 0.00 53.44 53.93 1vwe n ALA 35 Cb 0.54 -0.49 0.04 0.00 0.00 0.00 0.00 19.45 19.55 1vwe n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vwe n ASP 36 N -5.23 7.26 0.00 0.00 8.00 -1.26 -4.87 116.55 120.45 1vwe n ASP 36 Ca 0.12 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 52.04 1vwe n ASP 36 Cb 0.37 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1vwe n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vwe n GLY 37 N -0.34 1.08 3.83 0.44 0.00 -0.77 -4.99 105.19 104.43 1vwe n GLY 37 Ca 0.52 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 1vwe n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwe s ALA 38 N -3.46 3.19 -0.11 4.61 0.00 -1.24 -1.26 121.76 123.50 1vwe s ALA 38 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 1vwe s ALA 38 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1vwe s ALA 38 CO 0.00 0.23 -0.08 -0.51 0.00 0.00 0.00 175.76 175.40 1vwe s LEU 39 N -2.94 1.24 0.02 0.00 1.02 -0.54 -0.03 118.68 117.46 1vwe s LEU 39 Ca 0.57 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.43 1vwe s LEU 39 Cb -0.11 -0.84 -0.02 0.00 0.02 0.00 0.00 46.19 45.25 1vwe s LEU 39 CO 0.16 -0.10 -0.05 0.42 0.02 0.00 0.00 176.35 176.80 1vwe s THR 40 N 1.58 0.34 -2.26 5.49 -4.23 -0.74 -0.89 115.64 114.93 1vwe s THR 40 Ca 0.03 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1vwe s THR 40 Cb -0.13 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.30 1vwe s THR 40 CO -0.07 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1vwe n GLY 41 N 1.87 -0.58 3.07 3.99 0.00 -0.90 -1.12 105.19 111.52 1vwe n GLY 41 Ca -0.21 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1vwe n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vwe s THR 42 N -3.37 0.11 -0.07 2.61 -4.23 -0.58 -1.44 115.64 108.68 1vwe s THR 42 Ca 0.00 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1vwe s THR 42 Cb 0.00 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.29 1vwe s THR 42 CO 0.00 -0.49 -0.17 -0.47 -0.54 0.00 0.00 174.62 172.95 1vwe s TYR 43 N -1.80 2.65 -0.04 3.99 6.14 -0.12 -0.87 117.35 127.31 1vwe s TYR 43 Ca -0.12 -0.38 0.04 0.00 0.64 0.00 0.00 57.07 57.25 1vwe s TYR 43 Cb -0.06 -1.66 -0.00 0.00 0.42 0.00 0.00 41.96 40.66 1vwe s TYR 43 CO -0.01 0.01 -0.15 -1.21 0.64 0.00 0.00 175.55 174.83 1vwe s GLU 44 N -0.39 1.58 0.00 4.97 2.02 0.56 -0.79 118.70 126.64 1vwe s GLU 44 Ca 0.04 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1vwe s GLU 44 Cb -0.12 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1vwe s GLU 44 CO 0.02 0.23 0.00 0.43 0.02 0.00 0.00 175.26 175.96 1vwe n SER 45 N 3.13 0.00 -4.83 -0.19 7.64 -0.52 -1.79 113.62 117.06 1vwe n SER 45 Ca -0.18 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 58.58 1vwe n SER 45 Cb 0.53 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.80 1vwe n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vwe s ALA 46 N -3.78 2.57 0.00 -0.43 0.00 -1.26 -3.53 121.76 115.32 1vwe s ALA 46 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1vwe s ALA 46 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1vwe s ALA 46 CO 0.00 -1.39 0.00 0.28 0.00 0.00 0.00 175.76 174.65 1vwe n VAL 47 N -3.21 0.00 -2.09 0.00 0.31 -1.26 -4.65 118.33 107.44 1vwe n VAL 47 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1vwe n VAL 47 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1vwe n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vwe n GLY 48 N 0.00 0.90 3.87 2.92 0.00 -1.23 -5.04 105.19 106.61 1vwe n GLY 48 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1vwe n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vwe s ASN 49 N -2.86 6.62 0.09 1.61 4.22 -1.26 -4.90 114.94 118.45 1vwe s ASN 49 Ca 0.00 1.07 0.02 0.00 -2.14 0.00 0.00 52.86 51.80 1vwe s ASN 49 Cb 0.00 -2.29 0.24 0.00 1.28 0.00 0.00 41.25 40.49 1vwe s ASN 49 CO 0.00 -0.22 0.43 0.00 -2.04 0.00 0.00 177.10 175.27 1vwe n ALA 50 N -0.63 0.17 -3.24 3.54 0.00 -1.26 -2.42 120.51 116.68 1vwe n ALA 50 Ca 0.02 0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1vwe n ALA 50 Cb 0.53 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 1vwe n ALA 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vwe n GLU 51 N -4.03 0.45 -0.31 0.00 2.13 -1.26 -4.47 120.64 113.15 1vwe n GLU 51 Ca 0.07 -3.07 0.08 0.00 0.66 0.00 0.00 57.16 54.91 1vwe n GLU 51 Cb 0.24 -1.45 0.16 0.00 0.27 0.00 0.00 31.44 30.65 1vwe n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1vwe n SER 52 N 2.18 1.98 -4.69 4.31 3.41 -1.01 -4.80 113.62 115.00 1vwe n SER 52 Ca 0.25 -3.30 -0.36 0.00 -0.26 0.00 0.00 58.87 55.20 1vwe n SER 52 Cb 0.51 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 1vwe n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vwe s ARG 53 N -2.80 4.11 0.09 4.33 0.52 -1.26 -1.44 118.95 122.50 1vwe s ARG 53 Ca 0.33 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.34 1vwe s ARG 53 Cb 0.30 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 1vwe s ARG 53 CO -0.01 0.18 -0.16 0.71 0.02 0.00 0.00 175.30 176.03 1vwe s TYR 54 N 0.70 1.45 0.30 -0.53 1.51 0.03 -4.87 117.35 115.94 1vwe s TYR 54 Ca 0.07 -0.46 -0.28 0.00 -1.01 0.00 0.00 57.07 55.39 1vwe s TYR 54 Cb -0.12 -0.79 -0.09 0.00 -0.11 0.00 0.00 41.96 40.84 1vwe s TYR 54 CO 0.01 0.13 1.05 0.08 -1.11 0.00 0.00 175.55 175.70 1vwe s VAL 55 N -1.39 3.70 0.05 0.71 1.01 -1.26 -0.94 120.40 122.28 1vwe s VAL 55 Ca 0.03 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.65 1vwe s VAL 55 Cb -0.09 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1vwe s VAL 55 CO 0.03 0.29 -0.15 -1.48 0.00 0.00 0.00 175.10 173.79 1vwe s LEU 56 N -1.72 2.19 -0.03 3.92 0.05 -0.52 -4.37 118.68 118.20 1vwe s LEU 56 Ca 0.47 -0.50 -0.05 0.00 0.05 0.00 0.00 54.13 54.10 1vwe s LEU 56 Cb -0.27 -0.62 0.01 0.00 -2.05 0.00 0.00 46.19 43.25 1vwe s LEU 56 CO 0.35 0.02 0.13 0.28 -0.55 0.00 0.00 176.35 176.59 1vwe s THR 57 N -0.93 0.03 0.00 5.48 -1.32 -1.04 -2.12 115.64 115.74 1vwe s THR 57 Ca 0.01 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1vwe s THR 57 Cb -0.08 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1vwe s THR 57 CO 0.02 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1vwe n GLY 58 N 2.45 1.76 3.11 6.08 0.00 -0.07 -0.59 105.19 117.93 1vwe n GLY 58 Ca -0.16 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1vwe n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vwe s ARG 59 N -1.10 0.61 0.22 1.61 1.81 -0.18 -1.46 118.95 120.45 1vwe s ARG 59 Ca 0.00 -0.86 -0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1vwe s ARG 59 Cb 0.00 0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.70 1vwe s ARG 59 CO 0.00 -0.15 0.20 1.52 -0.68 0.00 0.00 175.30 176.19 1vwe s TYR 60 N -2.94 1.13 -0.47 -0.53 1.13 -0.39 -1.70 117.35 113.58 1vwe s TYR 60 Ca -0.02 -1.33 -0.21 0.00 -1.41 0.00 0.00 57.07 54.09 1vwe s TYR 60 Cb 0.01 -0.48 0.03 0.00 -1.10 0.00 0.00 41.96 40.42 1vwe s TYR 60 CO -0.06 -0.72 0.71 0.34 -2.51 0.00 0.00 175.55 173.31 1vwe s ASP 61 N -3.17 6.32 0.32 -0.18 3.68 -0.71 -4.57 116.67 118.35 1vwe s ASP 61 Ca 0.37 -0.43 0.26 0.00 2.13 0.00 0.00 52.55 54.88 1vwe s ASP 61 Cb 0.05 -2.34 0.87 0.00 -1.45 0.00 0.00 42.92 40.05 1vwe s ASP 61 CO 0.14 -0.90 1.76 0.77 0.13 0.00 0.00 175.17 177.07 1vwe h SER 62 N 8.99 0.00 -2.25 -0.34 4.64 -1.91 -3.31 113.55 119.37 1vwe h SER 62 Ca -0.26 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.47 1vwe h SER 62 Cb 1.09 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.77 1vwe h SER 62 CO 0.95 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 176.15 1vwe n ALA 63 N -1.89 3.45 -1.38 5.18 0.00 -1.26 -4.99 120.51 119.62 1vwe n ALA 63 Ca 0.03 -4.24 -0.29 0.00 0.00 0.00 0.00 53.44 48.94 1vwe n ALA 63 Cb 0.37 -0.88 0.17 0.00 0.00 0.00 0.00 19.45 19.11 1vwe n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vwe s PRO 64 N -1.83 0.53 0.79 0.00 0.04 -1.25 -5.02 135.00 128.26 1vwe s PRO 64 Ca 0.36 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 1vwe s PRO 64 Cb 0.13 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.96 1vwe s PRO 64 CO -0.07 -2.61 1.09 0.00 0.04 0.00 0.00 177.00 175.45 1vwe s ALA 65 N -3.18 2.20 -2.41 8.56 0.00 -1.26 -4.95 121.76 120.71 1vwe s ALA 65 Ca 0.66 0.09 0.23 0.00 0.00 0.00 0.00 51.96 52.94 1vwe s ALA 65 Cb -0.15 -3.21 0.74 0.00 0.00 0.00 0.00 23.12 20.50 1vwe s ALA 65 CO 0.55 -1.77 1.55 0.25 0.00 0.00 0.00 175.76 176.35 1vwe n THR 66 N -3.50 0.18 -2.48 0.00 -2.24 -1.26 -4.72 114.28 100.26 1vwe n THR 66 Ca 0.08 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 1vwe n THR 66 Cb 0.54 0.57 0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1vwe n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vwe n ASP 67 N 0.52 0.91 -2.35 3.42 5.68 -1.26 -4.90 116.55 118.57 1vwe n ASP 67 Ca 0.17 -1.77 -0.16 0.00 -0.50 0.00 0.00 54.79 52.53 1vwe n ASP 67 Cb 0.39 -0.45 -0.12 0.00 -1.14 0.00 0.00 41.12 39.81 1vwe n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vwe n GLY 68 N -0.26 2.99 3.97 6.12 0.00 -1.26 -4.86 105.19 111.89 1vwe n GLY 68 Ca 0.11 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 1vwe n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwe s SER 69 N 2.24 6.10 0.56 1.61 0.01 -1.26 -5.09 113.70 117.86 1vwe s SER 69 Ca 0.58 0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.94 1vwe s SER 69 Cb 0.25 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.89 1vwe s SER 69 CO -0.01 -0.37 0.80 -0.83 0.41 0.00 0.00 173.24 173.24 1vwe s GLY 70 N -4.11 1.73 -0.29 3.44 0.00 -1.26 -4.92 107.32 101.92 1vwe s GLY 70 Ca 0.42 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 1vwe s GLY 70 CO 0.33 -0.87 0.19 -1.59 0.00 0.00 0.00 173.10 171.16 1vwe s THR 71 N -2.82 5.27 0.30 0.90 2.01 0.32 -4.82 115.64 116.80 1vwe s THR 71 Ca 0.56 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 1vwe s THR 71 Cb -0.10 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1vwe s THR 71 CO 0.40 0.21 1.10 0.00 -0.69 0.00 0.00 174.62 175.64 1vwe s ALA 72 N 1.75 3.37 0.29 7.40 0.00 -1.26 -0.37 121.76 132.93 1vwe s ALA 72 Ca 0.07 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 1vwe s ALA 72 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1vwe s ALA 72 CO 0.11 -0.19 0.66 -0.48 0.00 0.00 0.00 175.76 175.85 1vwe s LEU 73 N -1.62 -0.03 -0.10 0.00 0.05 -0.36 -1.74 118.68 114.87 1vwe s LEU 73 Ca 0.46 -0.79 -0.30 0.00 0.05 0.00 0.00 54.13 53.56 1vwe s LEU 73 Cb -0.31 2.45 0.12 0.00 -2.05 0.00 0.00 46.19 46.39 1vwe s LEU 73 CO 0.40 -1.33 0.95 -0.83 -0.55 0.00 0.00 176.35 174.98 1vwe s GLY 74 N -2.97 -0.35 0.18 -3.48 0.00 -0.69 -1.62 107.32 98.39 1vwe s GLY 74 Ca 0.15 1.63 -0.15 0.00 0.00 0.00 0.00 44.72 46.35 1vwe s GLY 74 CO 0.08 0.77 0.44 0.66 0.00 0.00 0.00 173.10 175.06 1vwe s TRP 75 N -1.85 0.02 0.07 1.90 -2.14 -0.86 -1.01 118.94 115.07 1vwe s TRP 75 Ca 0.00 -0.37 0.06 0.00 2.66 0.00 0.00 56.10 58.46 1vwe s TRP 75 Cb -0.01 0.25 -0.03 0.00 -3.10 0.00 0.00 33.47 30.59 1vwe s TRP 75 CO -0.02 -0.84 -0.17 0.99 -2.66 0.00 0.00 176.95 174.25 1vwe s THR 76 N -3.89 1.32 -0.04 0.66 2.01 0.24 -1.30 115.64 114.64 1vwe s THR 76 Ca 0.11 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1vwe s THR 76 Cb 0.00 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.32 1vwe s THR 76 CO -0.03 -0.09 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.11 1vwe s VAL 77 N -1.11 0.31 -0.21 3.82 1.01 -0.30 -2.49 120.40 121.43 1vwe s VAL 77 Ca 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1vwe s VAL 77 Cb -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1vwe s VAL 77 CO 0.03 0.20 0.13 0.00 0.00 0.00 0.00 175.10 175.45 1vwe s ALA 78 N 1.28 3.62 -1.54 5.51 0.00 -1.26 -0.82 121.76 128.54 1vwe s ALA 78 Ca -0.06 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1vwe s ALA 78 Cb -0.13 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1vwe s ALA 78 CO -0.02 0.02 2.69 0.91 0.00 0.00 0.00 175.76 179.36 1vwe n TRP 79 N 3.83 2.71 -3.78 0.00 7.02 -0.41 -4.76 117.44 122.05 1vwe n TRP 79 Ca -0.16 -3.03 -0.15 0.00 -1.02 0.00 0.00 57.50 53.15 1vwe n TRP 79 Cb 0.52 -2.41 -0.16 0.00 -2.42 0.00 0.00 31.31 26.84 1vwe n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1vwe s LYS 80 N 1.91 -0.03 0.00 -0.99 2.20 -1.26 -0.38 119.74 121.19 1vwe s LYS 80 Ca 0.62 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1vwe s LYS 80 Cb 0.17 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1vwe s LYS 80 CO -0.07 -0.16 0.00 0.27 -0.36 0.00 0.00 175.35 175.03 1vwe n ASN 81 N 4.12 0.00 0.00 1.43 0.23 -0.10 -4.81 115.26 116.14 1vwe n ASN 81 Ca -0.27 -0.38 0.07 0.00 -0.53 0.00 0.00 54.58 53.47 1vwe n ASN 81 Cb 0.51 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.61 1vwe n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vwe n ASN 82 N -0.72 0.00 0.00 0.53 3.02 -1.26 -3.65 115.26 113.18 1vwe n ASN 82 Ca 0.00 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 1vwe n ASN 82 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1vwe n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vwe n TYR 83 N -0.71 0.00 -3.78 3.10 4.02 -1.26 -5.09 117.16 113.44 1vwe n TYR 83 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.86 1vwe n TYR 83 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.27 1vwe n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1vwe s ARG 84 N -0.67 0.55 -0.34 -0.72 6.06 -1.24 -5.09 118.95 117.49 1vwe s ARG 84 Ca 0.00 -0.01 -0.00 0.00 -2.50 0.00 0.00 55.73 53.22 1vwe s ARG 84 Cb 0.00 0.25 0.14 0.00 0.06 0.00 0.00 34.95 35.39 1vwe s ARG 84 CO 0.00 -0.13 0.23 1.21 -2.50 0.00 0.00 175.30 174.11 1vwe s ASN 85 N -0.85 2.74 0.00 -2.12 3.84 -1.26 -0.92 114.94 116.37 1vwe s ASN 85 Ca -0.09 -1.92 0.10 0.00 0.21 0.00 0.00 52.86 51.16 1vwe s ASN 85 Cb -0.05 -0.22 0.40 0.00 -0.55 0.00 0.00 41.25 40.84 1vwe s ASN 85 CO 0.03 -0.32 1.29 0.00 -2.79 0.00 0.00 177.10 175.30 1vwe n ALA 86 N 4.29 2.50 -4.05 1.71 0.00 0.49 -4.92 120.51 120.53 1vwe n ALA 86 Ca 0.09 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 1vwe n ALA 86 Cb 0.39 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1vwe n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vwe n HIS 87 N -0.03 -1.51 -3.74 0.00 -0.00 -1.26 -4.89 115.22 103.78 1vwe n HIS 87 Ca 0.09 0.50 -0.08 0.00 -0.00 0.00 0.00 57.72 58.23 1vwe n HIS 87 Cb 0.17 -3.19 -0.02 0.00 -0.00 0.00 0.00 29.99 26.95 1vwe n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1vwe s SER 88 N -4.04 -0.33 -0.02 0.41 1.04 -1.26 -1.65 113.70 107.85 1vwe s SER 88 Ca 0.19 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.06 1vwe s SER 88 Cb -0.09 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1vwe s SER 88 CO 0.94 -1.22 0.26 0.00 0.98 0.00 0.00 173.24 174.20 1vwe s ALA 89 N -3.82 -0.66 0.02 5.32 0.00 -0.39 -1.29 121.76 120.94 1vwe s ALA 89 Ca 0.09 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1vwe s ALA 89 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1vwe s ALA 89 CO 0.02 -0.23 -0.19 0.99 0.00 0.00 0.00 175.76 176.35 1vwe s THR 90 N -1.15 1.48 -0.03 0.00 2.01 -0.00 -0.99 115.64 116.96 1vwe s THR 90 Ca -0.12 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 60.94 1vwe s THR 90 Cb -0.05 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1vwe s THR 90 CO 0.03 0.25 -0.20 0.42 -0.69 0.00 0.00 174.62 174.43 1vwe s THR 91 N -0.66 1.64 -0.08 -0.82 -4.23 -0.54 -1.14 115.64 109.81 1vwe s THR 91 Ca 0.06 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1vwe s THR 91 Cb -0.08 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 1vwe s THR 91 CO 0.01 0.46 -0.18 0.26 -0.54 0.00 0.00 174.62 174.63 1vwe s TRP 92 N -0.33 2.63 -0.07 3.99 0.51 -0.42 -1.82 118.94 123.43 1vwe s TRP 92 Ca 0.04 -0.54 0.03 0.00 -2.12 0.00 0.00 56.10 53.50 1vwe s TRP 92 Cb -0.09 -1.69 0.01 0.00 -0.81 0.00 0.00 33.47 30.89 1vwe s TRP 92 CO 0.00 -0.10 -0.14 0.45 -0.51 0.00 0.00 176.95 176.65 1vwe s SER 93 N -0.16 2.01 0.00 2.95 0.15 -0.30 -2.02 113.70 116.33 1vwe s SER 93 Ca -0.02 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1vwe s SER 93 Cb -0.14 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1vwe s SER 93 CO 0.04 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1vwe n GLY 94 N 3.79 0.89 3.03 9.45 0.00 -0.64 -1.53 105.19 120.18 1vwe n GLY 94 Ca -0.22 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1vwe n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vwe s GLN 95 N 1.10 0.44 -0.14 1.61 -2.07 -0.67 -1.22 119.66 118.71 1vwe s GLN 95 Ca 0.00 -0.82 -0.06 0.00 -1.82 0.00 0.00 55.36 52.66 1vwe s GLN 95 Cb 0.00 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1vwe s GLN 95 CO 0.00 -0.08 0.09 -0.47 -1.32 0.00 0.00 175.29 173.50 1vwe s TYR 96 N -2.37 3.38 -0.12 9.60 5.04 0.50 -1.83 117.35 131.55 1vwe s TYR 96 Ca -0.07 0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.87 1vwe s TYR 96 Cb -0.03 -1.97 0.01 0.00 0.35 0.00 0.00 41.96 40.32 1vwe s TYR 96 CO -0.04 0.45 -0.17 0.08 -1.34 0.00 0.00 175.55 174.53 1vwe s VAL 97 N -0.41 1.63 0.00 3.14 1.01 -0.30 -0.52 120.40 124.94 1vwe s VAL 97 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1vwe s VAL 97 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1vwe s VAL 97 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1vwe n GLY 98 N 4.24 1.22 0.00 4.51 0.00 -1.26 -1.02 105.19 112.88 1vwe n GLY 98 Ca -0.19 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1vwe n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vwe n GLY 99 N 5.00 -0.49 0.34 -0.02 0.00 -1.26 -4.37 105.19 104.38 1vwe n GLY 99 Ca 0.00 -2.24 0.01 0.00 0.00 0.00 0.00 46.02 43.78 1vwe n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwe h ALA 100 N 0.00 0.34 -3.02 4.61 0.00 -2.07 -2.98 119.26 116.15 1vwe h ALA 100 Ca 0.00 0.28 -0.62 0.00 0.00 0.00 0.00 54.91 54.58 1vwe h ALA 100 Cb 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 17.79 18.14 1vwe h ALA 100 CO 0.00 -0.51 -0.67 -1.83 0.00 0.00 0.00 179.25 176.24 1vwe s GLU 101 N -6.13 1.97 0.56 0.00 -1.05 -1.26 -5.08 118.70 107.70 1vwe s GLU 101 Ca -0.14 -2.83 -0.18 0.00 -0.15 0.00 0.00 54.97 51.67 1vwe s GLU 101 Cb 0.21 -2.95 -0.05 0.00 -0.44 0.00 0.00 34.13 30.90 1vwe s GLU 101 CO 0.74 -1.25 1.07 0.00 0.95 0.00 0.00 175.26 176.77 1vwe s ALA 102 N -0.74 2.74 0.19 -0.84 0.00 -1.13 -4.88 121.76 117.10 1vwe s ALA 102 Ca 0.23 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 1vwe s ALA 102 Cb -0.11 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1vwe s ALA 102 CO -0.11 -0.70 0.73 -0.98 0.00 0.00 0.00 175.76 174.71 1vwe s ARG 103 N -3.65 1.43 -0.12 0.00 3.03 -0.19 -4.32 118.95 115.13 1vwe s ARG 103 Ca 0.67 -0.70 0.00 0.00 2.03 0.00 0.00 55.73 57.74 1vwe s ARG 103 Cb -0.18 0.55 0.02 0.00 -1.03 0.00 0.00 34.95 34.31 1vwe s ARG 103 CO 0.30 -0.64 -0.12 0.42 -1.13 0.00 0.00 175.30 174.13 1vwe s ILE 104 N -3.68 1.30 -0.16 4.99 1.01 -0.42 -1.15 121.20 123.07 1vwe s ILE 104 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1vwe s ILE 104 Cb -0.03 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1vwe s ILE 104 CO -0.02 0.41 0.01 0.20 0.00 0.00 0.00 174.94 175.54 1vwe s ASN 105 N 1.40 5.19 0.16 3.58 -0.87 -0.76 -0.57 114.94 123.07 1vwe s ASN 105 Ca 0.01 -0.02 -0.01 0.00 -1.57 0.00 0.00 52.86 51.27 1vwe s ASN 105 Cb -0.13 -1.84 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 1vwe s ASN 105 CO -0.07 0.19 0.08 0.42 -2.57 0.00 0.00 177.10 175.15 1vwe s THR 106 N 0.28 0.09 0.03 1.60 -4.23 -0.09 -1.66 115.64 111.64 1vwe s THR 106 Ca 0.00 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1vwe s THR 106 Cb -0.13 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1vwe s THR 106 CO 0.02 -0.28 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.56 1vwe s GLN 107 N -4.09 1.09 0.12 3.99 -1.52 -0.58 -1.96 119.66 116.71 1vwe s GLN 107 Ca 0.30 -0.73 0.04 0.00 -1.95 0.00 0.00 55.36 53.02 1vwe s GLN 107 Cb 0.07 -1.11 -0.04 0.00 -0.22 0.00 0.00 33.01 31.72 1vwe s GLN 107 CO 0.06 0.28 -0.10 1.67 -0.25 0.00 0.00 175.29 176.95 1vwe s TRP 108 N -0.70 1.15 -0.11 0.91 1.48 0.44 -1.15 118.94 120.96 1vwe s TRP 108 Ca 0.04 -0.71 0.01 0.00 -1.06 0.00 0.00 56.10 54.38 1vwe s TRP 108 Cb -0.07 -0.61 0.02 0.00 -1.16 0.00 0.00 33.47 31.65 1vwe s TRP 108 CO 0.01 0.03 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.30 1vwe s LEU 109 N -2.76 1.51 -0.25 -4.66 1.43 -0.76 -1.74 118.68 111.45 1vwe s LEU 109 Ca 0.10 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1vwe s LEU 109 Cb -0.00 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.30 1vwe s LEU 109 CO 0.00 -0.04 -0.08 -0.22 0.23 0.00 0.00 176.35 176.24 1vwe s LEU 110 N 1.25 3.21 -0.09 1.79 2.96 -0.14 -1.46 118.68 126.20 1vwe s LEU 110 Ca -0.03 -0.99 0.01 0.00 -0.22 0.00 0.00 54.13 52.91 1vwe s LEU 110 Cb -0.14 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1vwe s LEU 110 CO -0.04 -0.14 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.86 1vwe s THR 111 N 1.27 3.44 0.08 3.68 2.01 -0.16 -1.39 115.64 124.57 1vwe s THR 111 Ca -0.02 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.48 1vwe s THR 111 Cb -0.17 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1vwe s THR 111 CO -0.05 0.57 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.96 1vwe s SER 112 N -0.43 4.69 0.14 3.53 0.01 -0.25 -1.27 113.70 120.12 1vwe s SER 112 Ca 0.06 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 1vwe s SER 112 Cb -0.12 -1.03 -0.07 0.00 0.21 0.00 0.00 66.02 65.02 1vwe s SER 112 CO 0.02 0.20 1.05 -0.83 0.41 0.00 0.00 173.24 174.09 1vwe s GLY 113 N -2.10 2.88 0.38 3.44 0.00 -0.66 -4.80 107.32 106.46 1vwe s GLY 113 Ca 0.22 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.71 1vwe s GLY 113 CO 0.14 1.60 0.19 -0.51 0.00 0.00 0.00 173.10 174.53 1vwe s THR 114 N -0.01 0.35 0.63 0.90 -4.23 -1.26 -5.03 115.64 106.99 1vwe s THR 114 Ca 0.49 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1vwe s THR 114 Cb -0.27 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.23 1vwe s THR 114 CO 0.32 0.00 0.92 0.42 -0.54 0.00 0.00 174.62 175.74 1vwe s THR 115 N -3.30 2.82 0.52 3.99 -4.23 -1.26 -4.89 115.64 109.29 1vwe s THR 115 Ca 0.30 -0.27 0.22 0.00 -1.18 0.00 0.00 61.69 60.75 1vwe s THR 115 Cb 0.02 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 71.00 1vwe s THR 115 CO 0.19 -0.15 2.15 -0.33 -0.54 0.00 0.00 174.62 175.94 1vwe h GLU 116 N -0.31 0.00 -0.12 3.99 4.39 -2.01 -2.03 114.58 118.49 1vwe h GLU 116 Ca -0.44 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.12 1vwe h GLU 116 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1vwe h GLU 116 CO 0.59 0.05 -0.53 0.00 -1.16 0.00 0.00 179.01 177.95 1vwe h ALA 117 N 1.95 0.87 -0.37 3.43 0.00 -2.06 -3.10 119.26 119.99 1vwe h ALA 117 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1vwe h ALA 117 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1vwe h ALA 117 CO 0.01 0.68 0.00 0.09 0.00 0.00 0.00 179.25 180.03 1vwe n ASN 118 N -3.94 2.91 -0.23 0.00 3.02 -0.81 -4.46 115.26 111.76 1vwe n ASN 118 Ca -0.02 -1.92 0.27 0.00 -0.03 0.00 0.00 54.58 52.87 1vwe n ASN 118 Cb 0.58 -0.24 0.66 0.00 -0.61 0.00 0.00 39.78 40.17 1vwe n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vwe h ALA 119 N 4.31 2.68 -0.22 5.41 0.00 -1.36 -1.38 119.26 128.70 1vwe h ALA 119 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1vwe h ALA 119 Cb 0.81 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1vwe h ALA 119 CO 0.00 -0.97 0.16 0.11 0.00 0.00 0.00 179.25 178.55 1vwe h TRP 120 N 0.13 0.00 -0.66 0.00 5.08 -1.85 0.07 115.95 118.72 1vwe h TRP 120 Ca 0.47 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.34 1vwe h TRP 120 Cb 1.64 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.74 1vwe h TRP 120 CO -0.00 0.00 0.13 0.36 -1.28 0.00 0.00 178.44 177.65 1vwe n LYS 121 N -4.40 4.35 0.13 0.12 2.85 -0.52 -4.58 118.16 116.11 1vwe n LYS 121 Ca 0.02 -3.14 0.06 0.00 -1.05 0.00 0.00 58.31 54.20 1vwe n LYS 121 Cb 0.30 -2.25 0.03 0.00 -0.65 0.00 0.00 35.03 32.47 1vwe n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vwe h SER 122 N 3.36 0.00 -3.22 -5.58 4.64 -1.02 -3.46 113.55 108.27 1vwe h SER 122 Ca 0.13 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.81 1vwe h SER 122 Cb 2.17 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.91 1vwe h SER 122 CO 0.62 0.30 -0.86 -0.89 -0.87 0.00 0.00 176.83 175.13 1vwe s THR 123 N -3.09 1.87 0.06 2.95 2.01 -1.26 -1.09 115.64 117.08 1vwe s THR 123 Ca 0.02 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1vwe s THR 123 Cb 0.08 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1vwe s THR 123 CO 0.75 0.51 0.14 -0.76 -0.69 0.00 0.00 174.62 174.57 1vwe s LEU 124 N 0.90 4.09 0.04 4.42 1.43 -0.49 -4.93 118.68 124.14 1vwe s LEU 124 Ca -0.06 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1vwe s LEU 124 Cb -0.15 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 1vwe s LEU 124 CO -0.02 0.19 -0.18 0.54 0.23 0.00 0.00 176.35 177.10 1vwe s VAL 125 N -1.42 1.44 0.00 -1.59 0.11 -1.26 -0.96 120.40 116.72 1vwe s VAL 125 Ca 0.31 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1vwe s VAL 125 Cb -0.13 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1vwe s VAL 125 CO 0.23 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 1vwe n GLY 126 N 1.87 1.75 3.11 6.54 0.00 -0.71 -4.99 105.19 112.76 1vwe n GLY 126 Ca -0.17 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1vwe n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vwe s HIS 127 N -7.92 0.24 -0.01 1.61 -3.43 -1.26 -0.42 115.29 104.10 1vwe s HIS 127 Ca 0.00 -0.59 -0.10 0.00 -0.80 0.00 0.00 55.06 53.56 1vwe s HIS 127 Cb 0.00 -0.17 0.01 0.00 -1.43 0.00 0.00 32.58 30.99 1vwe s HIS 127 CO 0.00 -0.37 0.22 -0.51 -2.00 0.00 0.00 174.74 172.07 1vwe s ASP 128 N -2.27 -0.08 -0.08 7.38 1.01 -0.83 -4.93 116.67 116.87 1vwe s ASP 128 Ca -0.03 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.21 1vwe s ASP 128 Cb 0.00 0.27 0.01 0.00 1.01 0.00 0.00 42.92 44.21 1vwe s ASP 128 CO -0.06 -0.38 -0.14 -0.89 0.21 0.00 0.00 175.17 173.91 1vwe s THR 129 N -1.27 1.31 0.03 -1.27 2.01 -1.26 -0.92 115.64 114.27 1vwe s THR 129 Ca -0.13 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.36 1vwe s THR 129 Cb -0.06 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1vwe s THR 129 CO 0.03 0.40 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.87 1vwe s PHE 130 N 0.74 2.73 0.29 4.92 0.40 0.26 -3.92 117.98 123.41 1vwe s PHE 130 Ca -0.13 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1vwe s PHE 130 Cb -0.16 -1.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.78 1vwe s PHE 130 CO 0.03 0.32 0.08 0.95 0.70 0.00 0.00 175.22 177.30 1vwe s THR 131 N -0.98 0.86 -0.93 0.64 -4.23 -0.27 -1.30 115.64 109.43 1vwe s THR 131 Ca 0.16 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.93 1vwe s THR 131 Cb -0.11 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 71.09 1vwe s THR 131 CO 0.07 0.00 1.50 0.29 -0.54 0.00 0.00 174.62 175.94 1vwe n LYS 132 N -0.58 0.06 0.00 3.99 5.02 -1.26 -0.81 118.16 124.58 1vwe n LYS 132 Ca -0.01 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1vwe n LYS 132 Cb 0.66 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1vwe n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16