#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vwg n GLU 14 N 0.00 0.00 0.35 0.00 2.13 -1.26 -0.22 120.64 121.64 1vwg n GLU 14 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1vwg n GLU 14 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1vwg n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vwg h ALA 15 N 0.00 -1.01 -1.02 4.31 0.00 -1.94 -1.39 119.26 118.21 1vwg h ALA 15 Ca 0.00 -0.20 0.28 0.00 0.00 0.00 0.00 54.91 55.00 1vwg h ALA 15 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1vwg h ALA 15 CO 0.00 -1.09 0.71 0.78 0.00 0.00 0.00 179.25 179.65 1vwg h GLY 16 N -0.98 0.34 1.44 0.00 0.00 -1.04 -1.02 103.07 101.82 1vwg h GLY 16 Ca -0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 47.33 46.90 1vwg h GLY 16 CO 0.06 -0.03 -1.30 -2.22 0.00 0.00 0.00 176.54 173.06 1vwg h ILE 17 N 0.12 1.39 -2.61 2.60 2.04 -1.56 -3.45 117.51 116.04 1vwg h ILE 17 Ca 0.51 -2.79 -0.58 0.00 1.00 0.00 0.00 64.86 63.00 1vwg h ILE 17 Cb 1.79 2.89 0.07 0.00 -0.74 0.00 0.00 36.82 40.84 1vwg h ILE 17 CO -0.08 0.83 0.71 0.41 0.00 0.00 0.00 178.15 180.01 1vwg n THR 18 N -3.65 0.63 0.00 -0.27 -1.04 -0.39 -4.76 114.28 104.80 1vwg n THR 18 Ca -0.12 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1vwg n THR 18 Cb 1.03 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1vwg n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vwg n GLY 19 N 2.60 0.93 3.70 3.41 0.00 -0.12 -4.99 105.19 110.72 1vwg n GLY 19 Ca 0.13 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 1vwg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vwg s THR 20 N -2.19 4.84 0.06 2.61 2.01 -1.26 -1.45 115.64 120.26 1vwg s THR 20 Ca 0.00 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1vwg s THR 20 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1vwg s THR 20 CO 0.00 0.53 -0.18 0.26 -0.69 0.00 0.00 174.62 174.54 1vwg s TRP 21 N -0.24 1.60 0.06 4.92 0.52 -0.06 -4.55 118.94 121.19 1vwg s TRP 21 Ca 0.08 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.88 1vwg s TRP 21 Cb -0.12 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.25 1vwg s TRP 21 CO 0.01 0.11 -0.19 0.71 0.02 0.00 0.00 176.95 177.62 1vwg s TYR 22 N -0.98 1.63 0.53 -1.98 2.02 0.68 -1.39 117.35 117.86 1vwg s TYR 22 Ca 0.05 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 1vwg s TYR 22 Cb -0.09 -0.94 0.04 0.00 -0.40 0.00 0.00 41.96 40.57 1vwg s TYR 22 CO 0.02 0.11 0.33 0.27 -1.57 0.00 0.00 175.55 174.71 1vwg n ASN 23 N 1.62 2.84 0.18 2.29 0.23 -0.84 -1.37 115.26 120.19 1vwg n ASN 23 Ca -0.18 -2.91 0.14 0.00 -0.53 0.00 0.00 54.58 51.09 1vwg n ASN 23 Cb 0.54 0.03 0.57 0.00 -2.08 0.00 0.00 39.78 38.83 1vwg n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1vwg h GLN 24 N 0.00 0.00 -0.00 -3.83 -0.00 -1.91 -3.15 115.11 106.22 1vwg h GLN 24 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1vwg h GLN 24 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 1vwg h GLN 24 CO 0.56 0.00 -0.60 1.28 -0.00 0.00 0.00 178.83 180.07 1vwg n LEU 25 N -2.47 0.85 0.00 0.06 4.77 -1.26 -4.94 117.00 114.00 1vwg n LEU 25 Ca 0.01 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1vwg n LEU 25 Cb 0.23 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1vwg n LEU 25 CO 0.21 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1vwg n GLY 26 N 1.47 0.87 3.86 -0.72 0.00 -1.19 -5.10 105.19 104.38 1vwg n GLY 26 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1vwg n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwg s SER 27 N -1.32 6.44 0.02 1.61 0.01 -1.26 -4.73 113.70 114.47 1vwg s SER 27 Ca 0.00 1.46 0.02 0.00 1.31 0.00 0.00 55.95 58.73 1vwg s SER 27 Cb 0.00 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1vwg s SER 27 CO 0.00 -0.69 -0.06 -0.89 0.41 0.00 0.00 173.24 172.00 1vwg s THR 28 N -2.85 0.45 -0.00 1.44 2.01 -0.44 -1.99 115.64 114.26 1vwg s THR 28 Ca 0.56 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1vwg s THR 28 Cb -0.10 -0.48 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 1vwg s THR 28 CO 0.41 -0.20 0.01 0.12 -0.69 0.00 0.00 174.62 174.28 1vwg s PHE 29 N -0.89 0.04 -0.15 4.92 2.19 -0.48 0.08 117.98 123.69 1vwg s PHE 29 Ca -0.06 -0.08 0.02 0.00 0.33 0.00 0.00 56.93 57.14 1vwg s PHE 29 Cb -0.07 -0.04 0.01 0.00 -1.31 0.00 0.00 43.02 41.61 1vwg s PHE 29 CO 0.00 -0.05 -0.20 0.42 1.83 0.00 0.00 175.22 177.22 1vwg s ILE 30 N -0.34 2.20 0.05 3.12 1.01 0.20 -0.88 121.20 126.55 1vwg s ILE 30 Ca -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1vwg s ILE 30 Cb -0.02 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1vwg s ILE 30 CO -0.00 0.54 -0.07 0.54 0.00 0.00 0.00 174.94 175.95 1vwg s VAL 31 N 0.87 0.50 -0.14 2.92 0.11 -0.53 -1.28 120.40 122.85 1vwg s VAL 31 Ca -0.05 -1.22 0.02 0.00 -2.93 0.00 0.00 61.98 57.79 1vwg s VAL 31 Cb -0.15 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1vwg s VAL 31 CO -0.03 -0.50 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.16 1vwg s THR 32 N -1.84 2.32 -0.34 5.04 2.01 -0.07 -0.94 115.64 121.81 1vwg s THR 32 Ca -0.07 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 60.92 1vwg s THR 32 Cb -0.07 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 1vwg s THR 32 CO -0.01 0.54 0.21 0.00 -0.69 0.00 0.00 174.62 174.67 1vwg s ALA 33 N 0.74 3.40 0.28 7.40 0.00 -1.26 -1.89 121.76 130.42 1vwg s ALA 33 Ca -0.08 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 1vwg s ALA 33 Cb -0.16 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 1vwg s ALA 33 CO 0.00 -1.02 0.64 0.20 0.00 0.00 0.00 175.76 175.59 1vwg s GLY 34 N 1.66 2.24 0.31 0.00 0.00 0.34 -4.79 107.32 107.09 1vwg s GLY 34 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1vwg s GLY 34 CO 0.08 -0.00 1.57 0.00 0.00 0.00 0.00 173.10 174.76 1vwg h ALA 35 N 2.26 1.21 -0.97 3.20 0.00 -1.98 -2.76 119.26 120.22 1vwg h ALA 35 Ca -0.47 0.34 -0.71 0.00 0.00 0.00 0.00 54.91 54.07 1vwg h ALA 35 Cb 1.17 0.58 -0.27 0.00 0.00 0.00 0.00 17.79 19.27 1vwg h ALA 35 CO 0.67 -0.59 0.95 -0.25 0.00 0.00 0.00 179.25 180.03 1vwg n ASP 36 N -5.48 7.57 0.00 0.00 8.00 -1.26 -4.84 116.55 120.54 1vwg n ASP 36 Ca 0.24 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.96 1vwg n ASP 36 Cb 0.78 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1vwg n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vwg n GLY 37 N -0.66 0.73 3.86 0.44 0.00 -1.04 -5.01 105.19 103.51 1vwg n GLY 37 Ca 0.57 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 1vwg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwg s ALA 38 N -2.64 3.54 -0.09 4.61 0.00 -1.22 -1.59 121.76 124.36 1vwg s ALA 38 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1vwg s ALA 38 Cb 0.00 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1vwg s ALA 38 CO 0.00 0.47 -0.16 -0.51 0.00 0.00 0.00 175.76 175.57 1vwg s LEU 39 N -2.63 1.76 0.01 0.00 1.43 -0.59 -0.50 118.68 118.15 1vwg s LEU 39 Ca 0.46 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1vwg s LEU 39 Cb -0.12 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1vwg s LEU 39 CO 0.20 0.05 0.04 0.28 0.23 0.00 0.00 176.35 177.15 1vwg s THR 40 N 0.76 0.09 -3.27 5.49 -1.32 -0.79 -1.30 115.64 115.30 1vwg s THR 40 Ca -0.12 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1vwg s THR 40 Cb -0.16 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1vwg s THR 40 CO 0.02 -0.41 0.00 0.61 -2.21 0.00 0.00 174.62 172.63 1vwg n GLY 41 N 1.68 -0.55 3.01 6.08 0.00 -1.01 -0.90 105.19 113.51 1vwg n GLY 41 Ca -0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 1vwg n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vwg s THR 42 N -3.44 0.32 -0.10 2.61 -4.23 -0.40 -1.65 115.64 108.74 1vwg s THR 42 Ca 0.00 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1vwg s THR 42 Cb 0.00 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 1vwg s THR 42 CO 0.00 -0.39 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.06 1vwg s TYR 43 N -1.29 2.73 -0.08 3.99 6.14 -0.15 -0.63 117.35 128.06 1vwg s TYR 43 Ca -0.12 -0.55 0.02 0.00 0.64 0.00 0.00 57.07 57.06 1vwg s TYR 43 Cb -0.09 -1.76 0.02 0.00 0.42 0.00 0.00 41.96 40.55 1vwg s TYR 43 CO -0.00 -0.12 -0.11 -1.83 0.64 0.00 0.00 175.55 174.12 1vwg s GLU 44 N 0.02 1.69 -0.08 4.97 -1.05 0.11 -0.86 118.70 123.50 1vwg s GLU 44 Ca -0.05 -0.38 -0.26 0.00 -0.15 0.00 0.00 54.97 54.12 1vwg s GLU 44 Cb -0.14 -1.47 -0.25 0.00 -0.44 0.00 0.00 34.13 31.82 1vwg s GLU 44 CO 0.04 -0.05 0.94 0.77 0.95 0.00 0.00 175.26 177.91 1vwg h SER 45 N 7.28 0.13 -1.40 0.83 0.02 -1.62 -1.17 113.55 117.62 1vwg h SER 45 Ca -0.31 -0.85 0.28 0.00 -0.84 0.00 0.00 61.79 60.07 1vwg h SER 45 Cb 1.17 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 1vwg h SER 45 CO 0.46 0.97 0.70 0.00 -1.14 0.00 0.00 176.83 177.82 1vwg n ALA 46 N -2.56 -2.72 0.00 3.77 0.00 -1.26 -4.15 120.51 113.58 1vwg n ALA 46 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1vwg n ALA 46 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1vwg n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vwg n VAL 47 N -0.69 0.00 0.00 0.00 0.31 -1.26 -4.02 118.33 112.67 1vwg n VAL 47 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1vwg n VAL 47 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1vwg n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vwg n GLY 48 N 0.00 0.88 3.22 2.92 0.00 -1.26 -5.12 105.19 105.82 1vwg n GLY 48 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1vwg n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vwg s ASN 49 N -1.26 1.72 0.56 1.61 2.20 -1.26 -5.01 114.94 113.52 1vwg s ASN 49 Ca 0.00 -0.88 0.24 0.00 -0.94 0.00 0.00 52.86 51.29 1vwg s ASN 49 Cb 0.00 -0.02 1.59 0.00 -2.00 0.00 0.00 41.25 40.82 1vwg s ASN 49 CO 0.00 -0.25 2.20 0.00 -2.94 0.00 0.00 177.10 176.11 1vwg h ALA 50 N 3.29 1.75 0.00 3.54 0.00 -1.97 -1.60 119.26 124.27 1vwg h ALA 50 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1vwg h ALA 50 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1vwg h ALA 50 CO 0.56 -0.04 0.00 -0.85 0.00 0.00 0.00 179.25 178.92 1vwg n GLU 51 N -4.12 0.00 -0.15 0.00 0.28 -1.26 -1.92 120.64 113.48 1vwg n GLU 51 Ca -0.02 0.41 0.05 0.00 -0.16 0.00 0.00 57.16 57.43 1vwg n GLU 51 Cb 0.12 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.61 1vwg n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1vwg n SER 52 N -1.49 2.76 -4.72 -1.84 3.41 -0.60 -4.75 113.62 106.40 1vwg n SER 52 Ca 0.01 -1.99 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 1vwg n SER 52 Cb 0.06 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1vwg n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vwg s ARG 53 N -1.00 4.21 0.09 4.33 0.52 -0.81 -1.79 118.95 124.51 1vwg s ARG 53 Ca 0.19 -0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1vwg s ARG 53 Cb 0.10 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1vwg s ARG 53 CO 0.13 0.23 -0.17 0.71 0.02 0.00 0.00 175.30 176.22 1vwg s TYR 54 N 0.54 1.44 0.33 -0.53 1.51 -0.04 -4.86 117.35 115.75 1vwg s TYR 54 Ca 0.12 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.47 1vwg s TYR 54 Cb -0.12 -0.80 -0.09 0.00 -0.11 0.00 0.00 41.96 40.84 1vwg s TYR 54 CO 0.02 0.12 0.99 0.08 -1.11 0.00 0.00 175.55 175.65 1vwg s VAL 55 N -1.32 3.96 0.06 0.71 1.01 -1.26 -0.97 120.40 122.58 1vwg s VAL 55 Ca 0.02 1.67 0.05 0.00 0.00 0.00 0.00 61.98 63.72 1vwg s VAL 55 Cb -0.09 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1vwg s VAL 55 CO 0.03 0.17 -0.14 -1.48 0.00 0.00 0.00 175.10 173.68 1vwg s LEU 56 N -2.05 2.24 -0.05 3.92 0.05 -0.66 -4.36 118.68 117.78 1vwg s LEU 56 Ca 0.51 -0.55 -0.07 0.00 0.05 0.00 0.00 54.13 54.06 1vwg s LEU 56 Cb -0.22 -0.52 0.01 0.00 -2.05 0.00 0.00 46.19 43.41 1vwg s LEU 56 CO 0.28 -0.04 0.18 0.28 -0.55 0.00 0.00 176.35 176.50 1vwg s THR 57 N -1.12 0.03 0.00 5.48 -1.32 -1.01 -2.40 115.64 115.30 1vwg s THR 57 Ca -0.01 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1vwg s THR 57 Cb -0.09 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 1vwg s THR 57 CO 0.02 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1vwg n GLY 58 N 2.45 1.88 3.13 6.08 0.00 -0.42 -0.90 105.19 117.41 1vwg n GLY 58 Ca -0.16 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 1vwg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vwg s ARG 59 N -0.93 0.67 0.06 1.61 1.81 -0.22 -1.55 118.95 120.39 1vwg s ARG 59 Ca 0.00 -0.97 0.02 0.00 -1.72 0.00 0.00 55.73 53.06 1vwg s ARG 59 Cb 0.00 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.73 1vwg s ARG 59 CO 0.00 -0.17 -0.06 1.52 -0.68 0.00 0.00 175.30 175.90 1vwg s TYR 60 N -3.41 0.67 -0.44 -0.53 1.13 -0.62 -1.61 117.35 112.54 1vwg s TYR 60 Ca 0.02 -0.66 -0.07 0.00 -1.41 0.00 0.00 57.07 54.94 1vwg s TYR 60 Cb 0.04 -0.41 0.11 0.00 -1.10 0.00 0.00 41.96 40.59 1vwg s TYR 60 CO -0.08 -0.14 0.28 0.34 -2.51 0.00 0.00 175.55 173.43 1vwg s ASP 61 N -2.07 5.54 -0.07 -0.18 3.68 0.03 -4.58 116.67 119.01 1vwg s ASP 61 Ca -0.03 -1.83 -0.30 0.00 2.13 0.00 0.00 52.55 52.52 1vwg s ASP 61 Cb -0.04 -1.95 -0.04 0.00 -1.45 0.00 0.00 42.92 39.44 1vwg s ASP 61 CO -0.02 -0.60 1.33 -0.55 0.13 0.00 0.00 175.17 175.46 1vwg s SER 62 N 2.27 6.92 -0.04 -0.34 0.15 -1.26 -4.24 113.70 117.15 1vwg s SER 62 Ca 0.05 1.91 0.01 0.00 0.70 0.00 0.00 55.95 58.62 1vwg s SER 62 Cb -0.24 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1vwg s SER 62 CO -0.01 -0.72 -0.04 0.00 1.20 0.00 0.00 173.24 173.67 1vwg s ALA 63 N 2.89 0.65 -0.48 5.45 0.00 -1.26 -5.10 121.76 123.90 1vwg s ALA 63 Ca 0.60 -0.04 -0.44 0.00 0.00 0.00 0.00 51.96 52.08 1vwg s ALA 63 Cb -0.27 -0.42 -0.19 0.00 0.00 0.00 0.00 23.12 22.25 1vwg s ALA 63 CO 0.22 -0.03 2.01 -0.35 0.00 0.00 0.00 175.76 177.61 1vwg n PRO 64 N 4.07 0.10 -4.95 0.00 -0.04 -1.26 -4.98 135.00 127.95 1vwg n PRO 64 Ca -0.25 0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 62.98 1vwg n PRO 64 Cb 0.51 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 1vwg n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vwg s ALA 65 N 5.33 1.66 -0.03 0.55 0.00 -1.26 -5.01 121.76 123.00 1vwg s ALA 65 Ca 1.15 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.34 1vwg s ALA 65 Cb -1.45 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 21.24 1vwg s ALA 65 CO 0.69 0.35 1.00 0.25 0.00 0.00 0.00 175.76 178.04 1vwg n THR 66 N 2.88 1.09 -2.53 0.00 -2.24 -1.26 -4.78 114.28 107.43 1vwg n THR 66 Ca -0.17 -1.16 0.03 0.00 -2.27 0.00 0.00 64.05 60.47 1vwg n THR 66 Cb 0.53 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 69.18 1vwg n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vwg n ASP 67 N -0.64 1.26 -2.29 3.42 5.75 -1.26 -5.02 116.55 117.76 1vwg n ASP 67 Ca 0.03 -2.14 -0.19 0.00 -0.01 0.00 0.00 54.79 52.49 1vwg n ASP 67 Cb 0.35 -0.36 0.01 0.00 -1.03 0.00 0.00 41.12 40.09 1vwg n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vwg n GLY 68 N 0.12 -0.38 3.90 6.12 0.00 -1.26 -5.01 105.19 108.68 1vwg n GLY 68 Ca 0.08 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1vwg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwg s SER 69 N -2.38 4.91 0.61 1.61 0.01 -1.26 -5.07 113.70 112.14 1vwg s SER 69 Ca 0.09 0.78 -0.04 0.00 1.31 0.00 0.00 55.95 58.10 1vwg s SER 69 Cb -0.04 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.79 1vwg s SER 69 CO 0.12 -1.61 0.89 -0.83 0.41 0.00 0.00 173.24 172.22 1vwg s GLY 70 N -4.48 1.69 -0.28 3.44 0.00 -1.26 -4.94 107.32 101.48 1vwg s GLY 70 Ca 0.60 -0.97 -0.10 0.00 0.00 0.00 0.00 44.72 44.25 1vwg s GLY 70 CO 0.48 -0.65 0.15 -1.59 0.00 0.00 0.00 173.10 171.49 1vwg s THR 71 N -2.99 4.81 0.26 0.90 2.01 0.10 -4.86 115.64 115.87 1vwg s THR 71 Ca 0.57 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 1vwg s THR 71 Cb -0.11 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1vwg s THR 71 CO 0.43 0.21 1.17 0.00 -0.69 0.00 0.00 174.62 175.73 1vwg s ALA 72 N 1.67 3.43 0.29 7.40 0.00 -1.26 -0.75 121.76 132.54 1vwg s ALA 72 Ca 0.06 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 1vwg s ALA 72 Cb -0.16 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1vwg s ALA 72 CO 0.07 -0.31 0.62 -0.48 0.00 0.00 0.00 175.76 175.67 1vwg s LEU 73 N -1.09 0.09 -0.05 0.00 2.34 -0.47 -0.79 118.68 118.71 1vwg s LEU 73 Ca 0.48 -0.88 -0.29 0.00 0.06 0.00 0.00 54.13 53.50 1vwg s LEU 73 Cb -0.33 2.29 0.10 0.00 -0.56 0.00 0.00 46.19 47.69 1vwg s LEU 73 CO 0.41 -1.32 0.86 -0.83 -1.06 0.00 0.00 176.35 174.42 1vwg s GLY 74 N -3.00 -0.43 0.15 -3.48 0.00 -0.64 -1.82 107.32 98.10 1vwg s GLY 74 Ca 0.17 1.36 -0.16 0.00 0.00 0.00 0.00 44.72 46.10 1vwg s GLY 74 CO 0.09 0.66 0.43 0.66 0.00 0.00 0.00 173.10 174.94 1vwg s TRP 75 N -2.17 -0.11 0.06 1.90 -2.14 -0.67 -1.06 118.94 114.75 1vwg s TRP 75 Ca -0.00 -0.22 0.06 0.00 2.66 0.00 0.00 56.10 58.60 1vwg s TRP 75 Cb -0.01 0.27 -0.03 0.00 -3.10 0.00 0.00 33.47 30.60 1vwg s TRP 75 CO -0.03 -0.77 -0.18 0.99 -2.66 0.00 0.00 176.95 174.31 1vwg s THR 76 N -3.84 1.42 -0.06 0.66 2.01 -0.08 -1.14 115.64 114.61 1vwg s THR 76 Ca 0.06 -1.20 -0.00 0.00 0.31 0.00 0.00 61.69 60.86 1vwg s THR 76 Cb 0.01 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1vwg s THR 76 CO -0.08 0.04 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.19 1vwg s VAL 77 N -0.93 0.42 -0.20 3.82 1.01 -0.49 -2.40 120.40 121.64 1vwg s VAL 77 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1vwg s VAL 77 Cb -0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1vwg s VAL 77 CO 0.02 0.24 0.17 0.00 0.00 0.00 0.00 175.10 175.52 1vwg s ALA 78 N 1.47 3.66 -1.53 5.51 0.00 -1.26 -0.62 121.76 128.99 1vwg s ALA 78 Ca -0.03 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1vwg s ALA 78 Cb -0.13 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 1vwg s ALA 78 CO -0.03 0.10 2.70 0.91 0.00 0.00 0.00 175.76 179.44 1vwg n TRP 79 N 3.63 2.64 -3.81 0.00 7.02 -0.31 -4.76 117.44 121.85 1vwg n TRP 79 Ca -0.15 -3.01 -0.13 0.00 -1.02 0.00 0.00 57.50 53.18 1vwg n TRP 79 Cb 0.52 -2.35 -0.15 0.00 -2.42 0.00 0.00 31.31 26.91 1vwg n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1vwg s LYS 80 N 1.58 -0.01 0.00 -0.99 2.20 -1.26 0.07 119.74 121.33 1vwg s LYS 80 Ca 0.62 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1vwg s LYS 80 Cb 0.17 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1vwg s LYS 80 CO -0.07 -0.09 0.00 0.27 -0.36 0.00 0.00 175.35 175.10 1vwg n ASN 81 N 3.65 0.00 0.00 1.43 0.23 -0.24 -4.78 115.26 115.55 1vwg n ASN 81 Ca -0.20 -0.62 0.14 0.00 -0.53 0.00 0.00 54.58 53.36 1vwg n ASN 81 Cb 0.55 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.01 1vwg n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vwg n ASN 82 N -1.06 0.00 -0.00 0.53 3.02 -1.26 -3.58 115.26 112.92 1vwg n ASN 82 Ca 0.00 -0.47 0.01 0.00 -0.03 0.00 0.00 54.58 54.08 1vwg n ASN 82 Cb 0.00 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.01 1vwg n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vwg n TYR 83 N -1.15 0.00 -3.73 3.10 4.02 -1.26 -5.06 117.16 113.07 1vwg n TYR 83 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.92 1vwg n TYR 83 Cb 0.16 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 1vwg n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1vwg s ARG 84 N -1.60 0.72 -0.35 -0.72 3.52 -1.23 -5.10 118.95 114.18 1vwg s ARG 84 Ca 0.00 -0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 1vwg s ARG 84 Cb 0.01 0.32 0.14 0.00 -1.56 0.00 0.00 34.95 33.87 1vwg s ARG 84 CO 0.07 -0.20 0.27 1.21 -0.81 0.00 0.00 175.30 175.83 1vwg s ASN 85 N -1.34 2.30 0.00 -2.12 3.84 -1.26 -1.08 114.94 115.28 1vwg s ASN 85 Ca -0.13 -1.87 0.18 0.00 0.21 0.00 0.00 52.86 51.25 1vwg s ASN 85 Cb -0.04 -0.01 0.98 0.00 -0.55 0.00 0.00 41.25 41.62 1vwg s ASN 85 CO 0.05 -0.30 1.64 0.00 -2.79 0.00 0.00 177.10 175.70 1vwg n ALA 86 N 4.22 2.58 -3.91 1.71 0.00 0.11 -4.92 120.51 120.31 1vwg n ALA 86 Ca 0.10 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1vwg n ALA 86 Cb 0.41 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1vwg n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vwg n HIS 87 N -0.53 -1.70 -3.75 0.00 -0.00 -1.26 -4.90 115.22 103.08 1vwg n HIS 87 Ca 0.14 0.77 -0.08 0.00 -0.00 0.00 0.00 57.72 58.55 1vwg n HIS 87 Cb 0.12 -3.86 -0.02 0.00 -0.00 0.00 0.00 29.99 26.23 1vwg n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1vwg s SER 88 N -4.35 -0.33 -0.04 0.41 1.04 -1.26 -1.54 113.70 107.63 1vwg s SER 88 Ca 0.02 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 1vwg s SER 88 Cb -0.01 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.81 1vwg s SER 88 CO 0.87 -1.22 0.32 0.00 0.98 0.00 0.00 173.24 174.19 1vwg s ALA 89 N -3.82 -0.80 -0.02 5.32 0.00 -0.53 -1.16 121.76 120.75 1vwg s ALA 89 Ca 0.09 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1vwg s ALA 89 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1vwg s ALA 89 CO 0.02 -0.23 -0.24 0.99 0.00 0.00 0.00 175.76 176.29 1vwg s THR 90 N -0.93 1.90 -0.02 0.00 2.01 0.21 -1.09 115.64 117.72 1vwg s THR 90 Ca -0.10 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 60.93 1vwg s THR 90 Cb -0.04 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1vwg s THR 90 CO 0.03 0.54 -0.21 0.42 -0.69 0.00 0.00 174.62 174.71 1vwg s THR 91 N -0.56 1.66 -0.08 -0.82 -4.23 -0.25 -1.40 115.64 109.97 1vwg s THR 91 Ca 0.09 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1vwg s THR 91 Cb -0.09 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 1vwg s THR 91 CO -0.01 0.47 -0.22 0.26 -0.54 0.00 0.00 174.62 174.58 1vwg s TRP 92 N -0.47 2.55 -0.08 3.99 0.51 -0.29 -1.47 118.94 123.67 1vwg s TRP 92 Ca 0.08 -0.72 0.03 0.00 -2.12 0.00 0.00 56.10 53.36 1vwg s TRP 92 Cb -0.08 -1.66 0.01 0.00 -0.81 0.00 0.00 33.47 30.93 1vwg s TRP 92 CO -0.01 -0.22 -0.15 0.45 -0.51 0.00 0.00 176.95 176.51 1vwg s SER 93 N -0.04 2.17 0.00 2.95 0.15 -0.46 -1.67 113.70 116.79 1vwg s SER 93 Ca -0.06 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1vwg s SER 93 Cb -0.15 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1vwg s SER 93 CO 0.05 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1vwg n GLY 94 N 3.81 0.94 3.03 9.45 0.00 -0.76 -1.49 105.19 120.18 1vwg n GLY 94 Ca -0.21 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1vwg n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vwg s GLN 95 N 1.27 0.36 -0.12 1.61 -2.07 -0.80 -1.37 119.66 118.55 1vwg s GLN 95 Ca 0.00 -0.47 -0.13 0.00 -1.82 0.00 0.00 55.36 52.95 1vwg s GLN 95 Cb 0.00 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 1vwg s GLN 95 CO 0.00 -0.07 0.28 -0.47 -1.32 0.00 0.00 175.29 173.71 1vwg s TYR 96 N -1.31 3.54 -0.12 9.60 5.04 0.07 -2.00 117.35 132.16 1vwg s TYR 96 Ca -0.14 0.66 0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1vwg s TYR 96 Cb -0.08 -2.25 0.02 0.00 0.35 0.00 0.00 41.96 39.99 1vwg s TYR 96 CO 0.00 0.42 -0.15 0.08 -1.34 0.00 0.00 175.55 174.56 1vwg s VAL 97 N -0.13 1.50 0.00 3.14 1.01 -0.15 -0.72 120.40 125.04 1vwg s VAL 97 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1vwg s VAL 97 Cb -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1vwg s VAL 97 CO 0.06 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1vwg n GLY 98 N 4.42 1.55 0.00 4.51 0.00 -1.26 -0.42 105.19 113.99 1vwg n GLY 98 Ca -0.18 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1vwg n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vwg n GLY 99 N 5.00 -0.48 0.28 -0.02 0.00 -1.26 -4.36 105.19 104.36 1vwg n GLY 99 Ca 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 1vwg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwg h ALA 100 N 0.00 -0.01 -2.65 4.61 0.00 -2.07 -3.04 119.26 116.10 1vwg h ALA 100 Ca 0.00 0.13 -0.65 0.00 0.00 0.00 0.00 54.91 54.38 1vwg h ALA 100 Cb 0.00 0.57 -0.39 0.00 0.00 0.00 0.00 17.79 17.96 1vwg h ALA 100 CO 0.00 -0.63 -0.34 -0.85 0.00 0.00 0.00 179.25 177.44 1vwg n GLU 101 N -5.40 2.48 -2.37 0.00 0.28 -1.26 -5.05 120.64 109.32 1vwg n GLU 101 Ca 0.02 -4.55 -0.39 0.00 -0.16 0.00 0.00 57.16 52.07 1vwg n GLU 101 Cb 0.31 -2.33 -0.03 0.00 1.43 0.00 0.00 31.44 30.82 1vwg n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vwg s ALA 102 N -1.87 3.30 0.16 -1.84 0.00 -1.15 -4.84 121.76 115.51 1vwg s ALA 102 Ca 0.31 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 1vwg s ALA 102 Cb 0.02 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1vwg s ALA 102 CO -0.09 -0.36 0.40 -0.98 0.00 0.00 0.00 175.76 174.74 1vwg s ARG 103 N -1.91 1.21 -0.16 0.00 3.03 0.44 -4.33 118.95 117.22 1vwg s ARG 103 Ca 0.51 -0.93 0.00 0.00 2.03 0.00 0.00 55.73 57.34 1vwg s ARG 103 Cb -0.31 0.45 0.03 0.00 -1.03 0.00 0.00 34.95 34.09 1vwg s ARG 103 CO 0.40 -0.48 -0.12 0.42 -1.13 0.00 0.00 175.30 174.40 1vwg s ILE 104 N -3.89 1.52 -0.19 4.99 1.01 -0.57 -0.98 121.20 123.09 1vwg s ILE 104 Ca 0.10 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1vwg s ILE 104 Cb 0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1vwg s ILE 104 CO -0.04 0.33 0.08 0.20 0.00 0.00 0.00 174.94 175.51 1vwg s ASN 105 N 1.48 5.72 0.16 3.58 0.02 -0.85 -0.83 114.94 124.22 1vwg s ASN 105 Ca 0.03 0.09 -0.01 0.00 -1.02 0.00 0.00 52.86 51.95 1vwg s ASN 105 Cb -0.14 -1.99 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 1vwg s ASN 105 CO -0.09 0.15 0.06 0.42 0.02 0.00 0.00 177.10 177.66 1vwg s THR 106 N 0.50 0.19 0.03 1.60 -4.23 -0.33 -1.89 115.64 111.50 1vwg s THR 106 Ca 0.04 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1vwg s THR 106 Cb -0.12 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 1vwg s THR 106 CO 0.00 -0.36 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.46 1vwg s GLN 107 N -4.05 1.18 0.10 3.99 -0.21 -0.55 -1.63 119.66 118.48 1vwg s GLN 107 Ca 0.27 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.92 1vwg s GLN 107 Cb 0.07 -1.21 -0.04 0.00 1.00 0.00 0.00 33.01 32.84 1vwg s GLN 107 CO 0.05 0.31 -0.08 1.67 -2.12 0.00 0.00 175.29 175.11 1vwg s TRP 108 N -0.70 0.97 -0.09 0.91 1.48 0.87 -1.36 118.94 121.03 1vwg s TRP 108 Ca 0.05 -0.75 0.01 0.00 -1.06 0.00 0.00 56.10 54.35 1vwg s TRP 108 Cb -0.08 -0.54 0.02 0.00 -1.16 0.00 0.00 33.47 31.71 1vwg s TRP 108 CO 0.01 -0.06 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.21 1vwg s LEU 109 N -2.67 1.55 -0.20 -4.66 1.43 -0.54 -1.47 118.68 112.12 1vwg s LEU 109 Ca 0.07 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1vwg s LEU 109 Cb 0.00 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1vwg s LEU 109 CO -0.02 -0.01 -0.16 -0.22 0.23 0.00 0.00 176.35 176.18 1vwg s LEU 110 N 1.00 2.43 -0.06 1.79 2.96 -0.16 -1.09 118.68 125.54 1vwg s LEU 110 Ca -0.08 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.19 1vwg s LEU 110 Cb -0.15 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1vwg s LEU 110 CO -0.00 -0.03 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.95 1vwg s THR 111 N 1.31 2.90 0.11 3.68 2.01 -0.25 -0.83 115.64 124.57 1vwg s THR 111 Ca 0.04 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.32 1vwg s THR 111 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1vwg s THR 111 CO -0.10 0.58 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.94 1vwg s SER 112 N -0.54 4.77 0.02 3.53 0.01 -0.56 -1.45 113.70 119.48 1vwg s SER 112 Ca 0.07 -0.29 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 1vwg s SER 112 Cb -0.11 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1vwg s SER 112 CO 0.01 0.16 1.15 -0.83 0.41 0.00 0.00 173.24 174.14 1vwg s GLY 113 N -2.41 2.46 0.41 3.44 0.00 -0.59 -4.86 107.32 105.77 1vwg s GLY 113 Ca 0.25 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.74 1vwg s GLY 113 CO 0.17 1.99 0.15 -0.51 0.00 0.00 0.00 173.10 174.91 1vwg s THR 114 N 1.28 0.49 0.60 0.90 -4.23 -1.26 -5.03 115.64 108.39 1vwg s THR 114 Ca 0.57 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1vwg s THR 114 Cb -0.27 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1vwg s THR 114 CO 0.27 0.00 0.86 0.42 -0.54 0.00 0.00 174.62 175.63 1vwg s THR 115 N -3.20 2.73 0.45 3.99 -4.23 -1.26 -4.91 115.64 109.22 1vwg s THR 115 Ca 0.24 -0.46 0.22 0.00 -1.18 0.00 0.00 61.69 60.52 1vwg s THR 115 Cb 0.02 -3.08 0.26 0.00 1.34 0.00 0.00 72.50 71.03 1vwg s THR 115 CO 0.16 -0.07 2.06 -0.33 -0.54 0.00 0.00 174.62 175.90 1vwg h GLU 116 N -0.15 0.00 0.00 3.99 4.39 -2.01 -2.38 114.58 118.42 1vwg h GLU 116 Ca -0.43 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.18 1vwg h GLU 116 Cb 1.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1vwg h GLU 116 CO 0.56 0.13 -0.39 0.00 -1.16 0.00 0.00 179.01 178.15 1vwg h ALA 117 N 1.87 1.18 -0.57 3.43 0.00 -2.06 -2.94 119.26 120.17 1vwg h ALA 117 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1vwg h ALA 117 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vwg h ALA 117 CO 0.02 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.85 1vwg n ASN 118 N -3.82 3.68 -0.26 0.00 3.02 -0.93 -4.47 115.26 112.47 1vwg n ASN 118 Ca -0.01 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.54 1vwg n ASN 118 Cb 0.46 -0.37 0.11 0.00 -0.61 0.00 0.00 39.78 39.36 1vwg n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vwg h ALA 119 N 4.19 0.98 -0.98 5.41 0.00 -1.27 -2.24 119.26 125.35 1vwg h ALA 119 Ca 0.00 -0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.19 1vwg h ALA 119 Cb 0.97 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1vwg h ALA 119 CO 0.00 0.16 0.85 0.11 0.00 0.00 0.00 179.25 180.37 1vwg h TRP 120 N 0.81 0.00 -0.47 0.00 5.08 -1.81 -0.08 115.95 119.47 1vwg h TRP 120 Ca 0.32 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.98 1vwg h TRP 120 Cb 0.14 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 26.10 1vwg h TRP 120 CO -0.06 0.00 -0.30 0.36 -1.28 0.00 0.00 178.44 177.16 1vwg n LYS 121 N -3.81 2.41 0.00 0.12 2.85 -0.84 -4.71 118.16 114.18 1vwg n LYS 121 Ca 0.21 -3.53 0.12 0.00 -1.05 0.00 0.00 58.31 54.06 1vwg n LYS 121 Cb 1.18 -1.97 0.23 0.00 -0.65 0.00 0.00 35.03 33.82 1vwg n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1vwg n SER 122 N -0.98 0.63 -4.12 -5.58 3.41 -0.05 -4.89 113.62 102.05 1vwg n SER 122 Ca 0.37 -0.41 -0.30 0.00 -0.26 0.00 0.00 58.87 58.26 1vwg n SER 122 Cb 0.91 0.30 -0.17 0.00 -0.26 0.00 0.00 64.21 65.00 1vwg n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vwg s THR 123 N -2.93 1.76 0.05 6.66 2.01 -1.26 -1.50 115.64 120.43 1vwg s THR 123 Ca 0.13 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 1vwg s THR 123 Cb 0.18 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1vwg s THR 123 CO 0.69 0.49 0.20 -0.76 -0.69 0.00 0.00 174.62 174.56 1vwg s LEU 124 N 0.83 4.34 0.06 4.42 1.43 -0.01 -4.92 118.68 124.83 1vwg s LEU 124 Ca -0.09 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1vwg s LEU 124 Cb -0.16 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1vwg s LEU 124 CO -0.00 0.18 -0.17 0.54 0.23 0.00 0.00 176.35 177.12 1vwg s VAL 125 N -1.49 1.37 0.02 -1.59 0.11 -1.26 -0.99 120.40 116.57 1vwg s VAL 125 Ca 0.34 -1.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1vwg s VAL 125 Cb -0.13 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 1vwg s VAL 125 CO 0.27 0.02 0.06 0.61 -3.33 0.00 0.00 175.10 172.73 1vwg n GLY 126 N 1.66 1.50 3.06 6.54 0.00 -0.54 -4.99 105.19 112.41 1vwg n GLY 126 Ca -0.18 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1vwg n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vwg s HIS 127 N -6.75 0.47 -0.08 1.61 -3.43 -1.26 -0.09 115.29 105.77 1vwg s HIS 127 Ca 0.01 -0.87 -0.13 0.00 -0.80 0.00 0.00 55.06 53.28 1vwg s HIS 127 Cb -0.00 -0.34 0.03 0.00 -1.43 0.00 0.00 32.58 30.84 1vwg s HIS 127 CO 0.01 -0.29 0.31 -0.51 -2.00 0.00 0.00 174.74 172.26 1vwg s ASP 128 N -2.43 -0.27 -0.09 7.38 1.01 -0.64 -4.92 116.67 116.70 1vwg s ASP 128 Ca -0.00 0.40 0.03 0.00 0.71 0.00 0.00 52.55 53.69 1vwg s ASP 128 Cb 0.02 0.51 0.00 0.00 1.01 0.00 0.00 42.92 44.46 1vwg s ASP 128 CO -0.06 -0.26 -0.20 -0.89 0.21 0.00 0.00 175.17 173.97 1vwg s THR 129 N -0.48 1.75 0.03 -1.27 2.01 -1.26 -1.18 115.64 115.23 1vwg s THR 129 Ca -0.06 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1vwg s THR 129 Cb -0.04 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1vwg s THR 129 CO 0.02 0.49 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.95 1vwg s PHE 130 N 0.48 2.71 0.25 4.92 0.40 -0.01 -3.87 117.98 122.86 1vwg s PHE 130 Ca -0.17 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1vwg s PHE 130 Cb -0.17 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 1vwg s PHE 130 CO 0.07 0.32 0.08 0.95 0.70 0.00 0.00 175.22 177.34 1vwg s THR 131 N -0.99 0.61 -0.87 0.64 -4.23 -0.47 -1.51 115.64 108.82 1vwg s THR 131 Ca 0.16 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.94 1vwg s THR 131 Cb -0.11 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.29 1vwg s THR 131 CO 0.07 -0.08 1.58 0.29 -0.54 0.00 0.00 174.62 175.95 1vwg n LYS 132 N -0.44 0.12 0.00 3.99 5.02 -1.26 -0.23 118.16 125.35 1vwg n LYS 132 Ca -0.01 0.06 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1vwg n LYS 132 Cb 0.66 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1vwg n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16