#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vwq n GLU 14 N 0.00 0.00 -0.17 0.00 2.13 -1.26 -0.32 120.64 121.03 1vwq n GLU 14 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1vwq n GLU 14 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1vwq n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vwq h ALA 15 N -0.22 0.62 0.00 4.31 0.00 -1.94 -1.23 119.26 120.80 1vwq h ALA 15 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1vwq h ALA 15 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1vwq h ALA 15 CO 0.00 0.23 -0.15 0.78 0.00 0.00 0.00 179.25 180.11 1vwq h GLY 16 N 0.63 0.00 1.19 0.00 0.00 -1.11 -2.99 103.07 100.80 1vwq h GLY 16 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.15 1vwq h GLY 16 CO -0.01 0.00 -1.54 -2.22 0.00 0.00 0.00 176.54 172.76 1vwq h ILE 17 N 0.00 1.21 -2.34 2.60 2.04 -1.55 -3.46 117.51 116.01 1vwq h ILE 17 Ca -0.00 -2.67 -0.61 0.00 1.00 0.00 0.00 64.86 62.58 1vwq h ILE 17 Cb 0.29 2.98 0.07 0.00 -0.74 0.00 0.00 36.82 39.43 1vwq h ILE 17 CO 0.02 0.82 0.57 0.41 0.00 0.00 0.00 178.15 179.98 1vwq n THR 18 N -3.69 0.62 0.00 -0.27 -1.04 -0.52 -4.78 114.28 104.60 1vwq n THR 18 Ca -0.18 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1vwq n THR 18 Cb 1.10 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1vwq n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vwq n GLY 19 N 2.46 0.97 3.73 3.41 0.00 0.04 -4.99 105.19 110.81 1vwq n GLY 19 Ca 0.14 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1vwq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vwq s THR 20 N -2.31 4.94 0.05 2.61 2.01 -1.26 -1.71 115.64 119.96 1vwq s THR 20 Ca 0.00 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1vwq s THR 20 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1vwq s THR 20 CO 0.00 0.54 -0.18 0.26 -0.69 0.00 0.00 174.62 174.55 1vwq s TRP 21 N -0.34 1.53 0.07 4.92 0.52 0.56 -4.56 118.94 121.63 1vwq s TRP 21 Ca 0.09 -0.37 0.07 0.00 0.02 0.00 0.00 56.10 55.91 1vwq s TRP 21 Cb -0.12 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 1vwq s TRP 21 CO 0.02 0.07 -0.19 0.71 0.02 0.00 0.00 176.95 177.58 1vwq s TYR 22 N -0.86 1.62 0.53 -1.98 2.02 0.03 -1.27 117.35 117.45 1vwq s TYR 22 Ca 0.04 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1vwq s TYR 22 Cb -0.08 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1vwq s TYR 22 CO 0.02 0.12 0.24 0.54 -1.57 0.00 0.00 175.55 174.90 1vwq s ASN 23 N -1.54 4.43 0.00 2.29 4.22 -0.98 -1.19 114.94 122.16 1vwq s ASN 23 Ca 0.05 -1.42 0.18 0.00 -2.14 0.00 0.00 52.86 49.52 1vwq s ASN 23 Cb -0.09 0.49 1.07 0.00 1.28 0.00 0.00 41.25 43.99 1vwq s ASN 23 CO 0.03 -1.02 1.49 0.00 -2.04 0.00 0.00 177.10 175.56 1vwq n GLN 24 N -1.57 0.66 -0.00 3.55 1.13 -1.25 -3.21 117.38 116.68 1vwq n GLN 24 Ca -0.09 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.04 1vwq n GLN 24 Cb 0.65 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.48 1vwq n GLN 24 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1vwq n LEU 25 N -0.93 0.42 0.00 1.08 4.77 -1.26 -4.97 117.00 116.11 1vwq n LEU 25 Ca 0.13 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1vwq n LEU 25 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1vwq n LEU 25 CO 0.10 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1vwq n GLY 26 N 1.46 1.43 3.90 -0.72 0.00 -1.20 -4.90 105.19 105.16 1vwq n GLY 26 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1vwq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwq s SER 27 N -2.00 6.49 0.03 1.61 0.01 -1.26 -4.00 113.70 114.57 1vwq s SER 27 Ca 0.00 0.69 0.06 0.00 1.31 0.00 0.00 55.95 58.01 1vwq s SER 27 Cb 0.00 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1vwq s SER 27 CO 0.00 -0.09 -0.17 -0.89 0.41 0.00 0.00 173.24 172.50 1vwq s THR 28 N -1.90 1.34 -0.02 1.44 2.01 -0.72 -2.33 115.64 115.46 1vwq s THR 28 Ca 0.43 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1vwq s THR 28 Cb -0.11 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1vwq s THR 28 CO 0.27 0.17 -0.02 0.12 -0.69 0.00 0.00 174.62 174.47 1vwq s PHE 29 N -0.69 0.35 -0.15 4.92 5.36 -0.40 0.06 117.98 127.43 1vwq s PHE 29 Ca 0.05 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1vwq s PHE 29 Cb -0.08 -0.34 0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1vwq s PHE 29 CO 0.01 -0.08 -0.12 0.42 -1.46 0.00 0.00 175.22 173.99 1vwq s ILE 30 N 0.56 1.44 0.13 3.12 1.01 -0.12 -0.33 121.20 127.01 1vwq s ILE 30 Ca -0.06 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1vwq s ILE 30 Cb -0.09 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1vwq s ILE 30 CO -0.01 0.37 -0.15 0.68 0.00 0.00 0.00 174.94 175.83 1vwq s VAL 31 N 1.53 1.47 -0.11 2.92 -7.23 -0.70 -1.23 120.40 117.06 1vwq s VAL 31 Ca 0.04 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1vwq s VAL 31 Cb -0.13 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.19 1vwq s VAL 31 CO -0.10 -0.39 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.24 1vwq s THR 32 N -2.12 1.68 -0.33 5.32 2.01 -0.45 -0.78 115.64 120.98 1vwq s THR 32 Ca 0.11 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 1vwq s THR 32 Cb -0.05 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1vwq s THR 32 CO 0.04 0.48 0.21 0.00 -0.69 0.00 0.00 174.62 174.65 1vwq s ALA 33 N 0.83 3.42 0.42 7.40 0.00 -1.26 -1.71 121.76 130.85 1vwq s ALA 33 Ca -0.09 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 1vwq s ALA 33 Cb -0.16 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 1vwq s ALA 33 CO 0.00 -0.94 0.80 0.20 0.00 0.00 0.00 175.76 175.82 1vwq s GLY 34 N 1.68 1.98 0.33 0.00 0.00 0.13 -4.80 107.32 106.65 1vwq s GLY 34 Ca 0.06 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.72 1vwq s GLY 34 CO 0.09 0.07 1.57 0.00 0.00 0.00 0.00 173.10 174.83 1vwq h ALA 35 N 1.27 1.49 -1.00 3.20 0.00 -1.98 -2.37 119.26 119.87 1vwq h ALA 35 Ca -0.47 0.32 -0.71 0.00 0.00 0.00 0.00 54.91 54.05 1vwq h ALA 35 Cb 1.19 0.52 -0.29 0.00 0.00 0.00 0.00 17.79 19.21 1vwq h ALA 35 CO 0.64 -0.70 0.87 -0.25 0.00 0.00 0.00 179.25 179.81 1vwq n ASP 36 N -5.42 7.51 0.00 0.00 8.00 -1.26 -4.87 116.55 120.51 1vwq n ASP 36 Ca 0.28 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.97 1vwq n ASP 36 Cb 0.93 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1vwq n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vwq n GLY 37 N -0.76 0.64 3.84 0.44 0.00 -0.90 -4.99 105.19 103.46 1vwq n GLY 37 Ca 0.58 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 1vwq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwq s ALA 38 N -2.48 3.31 -0.13 4.61 0.00 -1.22 -1.41 121.76 124.45 1vwq s ALA 38 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1vwq s ALA 38 Cb 0.00 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.32 1vwq s ALA 38 CO 0.00 0.31 -0.07 -1.17 0.00 0.00 0.00 175.76 174.83 1vwq s LEU 39 N -2.76 1.36 0.01 0.00 2.96 -0.45 0.20 118.68 120.01 1vwq s LEU 39 Ca 0.52 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1vwq s LEU 39 Cb -0.12 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 1vwq s LEU 39 CO 0.18 -0.14 -0.07 0.42 -1.32 0.00 0.00 176.35 175.42 1vwq s THR 40 N 1.67 0.55 -1.88 3.68 -4.23 -0.70 -0.96 115.64 113.78 1vwq s THR 40 Ca 0.04 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1vwq s THR 40 Cb -0.13 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1vwq s THR 40 CO -0.08 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1vwq n GLY 41 N 2.39 -0.59 3.00 3.99 0.00 -1.02 -1.34 105.19 111.62 1vwq n GLY 41 Ca -0.16 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1vwq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vwq s THR 42 N -3.34 0.19 -0.04 2.61 -4.23 -0.36 -1.91 115.64 108.56 1vwq s THR 42 Ca 0.00 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1vwq s THR 42 Cb 0.00 -0.42 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 1vwq s THR 42 CO 0.00 -0.52 -0.16 -0.47 -0.54 0.00 0.00 174.62 172.93 1vwq s TYR 43 N -1.65 2.65 -0.06 3.99 6.14 -0.27 -0.95 117.35 127.20 1vwq s TYR 43 Ca -0.13 -0.19 0.03 0.00 0.64 0.00 0.00 57.07 57.41 1vwq s TYR 43 Cb -0.09 -1.61 0.01 0.00 0.42 0.00 0.00 41.96 40.70 1vwq s TYR 43 CO -0.01 0.16 -0.13 -1.21 0.64 0.00 0.00 175.55 175.00 1vwq s GLU 44 N -0.75 1.72 0.72 4.97 2.02 0.11 -0.87 118.70 126.62 1vwq s GLU 44 Ca 0.11 -0.46 -0.10 0.00 0.02 0.00 0.00 54.97 54.54 1vwq s GLU 44 Cb -0.11 -1.43 0.04 0.00 0.10 0.00 0.00 34.13 32.73 1vwq s GLU 44 CO 0.01 0.08 1.08 -1.12 0.02 0.00 0.00 175.26 175.33 1vwq s SER 45 N 0.49 5.16 1.07 -0.19 0.01 -0.06 -1.75 113.70 118.43 1vwq s SER 45 Ca -0.12 0.91 -0.12 0.00 1.31 0.00 0.00 55.95 57.93 1vwq s SER 45 Cb -0.14 -1.64 0.22 0.00 0.21 0.00 0.00 66.02 64.67 1vwq s SER 45 CO 0.03 -1.47 1.01 0.00 0.41 0.00 0.00 173.24 173.22 1vwq n ALA 46 N -3.02 -2.16 0.00 1.44 0.00 -1.26 -2.91 120.51 112.61 1vwq n ALA 46 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1vwq n ALA 46 Cb 0.59 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1vwq n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vwq n VAL 47 N -4.65 0.00 -1.81 0.00 0.31 -1.26 -4.60 118.33 106.32 1vwq n VAL 47 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1vwq n VAL 47 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1vwq n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vwq n GLY 48 N 0.00 0.82 3.82 2.92 0.00 -1.15 -5.03 105.19 106.57 1vwq n GLY 48 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1vwq n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vwq s ASN 49 N -2.81 6.98 0.00 1.61 4.22 -1.26 -4.90 114.94 118.78 1vwq s ASN 49 Ca 0.00 1.44 0.00 0.00 -2.14 0.00 0.00 52.86 52.16 1vwq s ASN 49 Cb 0.00 -2.43 0.00 0.00 1.28 0.00 0.00 41.25 40.10 1vwq s ASN 49 CO 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 177.10 174.97 1vwq n ALA 50 N 0.23 0.00 -3.54 3.54 0.00 -1.26 -2.25 120.51 117.23 1vwq n ALA 50 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1vwq n ALA 50 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 1vwq n ALA 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1vwq s GLU 51 N -3.38 1.31 -0.12 0.00 2.12 -1.26 -4.48 118.70 112.88 1vwq s GLU 51 Ca 0.00 -2.40 0.16 0.00 0.36 0.00 0.00 54.97 53.09 1vwq s GLU 51 Cb 0.00 -1.97 0.28 0.00 0.26 0.00 0.00 34.13 32.70 1vwq s GLU 51 CO 0.00 -1.35 1.14 -1.13 -0.54 0.00 0.00 175.26 173.39 1vwq n SER 52 N 2.69 1.99 -4.74 -1.70 3.41 -0.96 -4.85 113.62 109.47 1vwq n SER 52 Ca 0.26 -3.06 -0.35 0.00 -0.26 0.00 0.00 58.87 55.45 1vwq n SER 52 Cb 0.44 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 1vwq n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vwq s ARG 53 N -2.57 3.85 0.11 4.33 0.52 -1.26 -0.88 118.95 123.05 1vwq s ARG 53 Ca 0.29 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1vwq s ARG 53 Cb 0.26 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1vwq s ARG 53 CO 0.01 0.45 -0.13 0.71 0.02 0.00 0.00 175.30 176.36 1vwq s TYR 54 N -0.10 1.27 0.35 -0.53 1.51 -0.05 -4.85 117.35 114.96 1vwq s TYR 54 Ca 0.09 -0.57 -0.23 0.00 -1.01 0.00 0.00 57.07 55.35 1vwq s TYR 54 Cb -0.12 -0.68 -0.10 0.00 -0.11 0.00 0.00 41.96 40.95 1vwq s TYR 54 CO 0.00 0.09 0.91 0.08 -1.11 0.00 0.00 175.55 175.53 1vwq s VAL 55 N -2.09 4.33 0.03 0.71 1.01 -1.26 -1.12 120.40 122.02 1vwq s VAL 55 Ca 0.06 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.68 1vwq s VAL 55 Cb -0.05 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1vwq s VAL 55 CO 0.02 -0.04 -0.10 -1.48 0.00 0.00 0.00 175.10 173.50 1vwq s LEU 56 N -2.51 2.17 -0.00 3.92 0.05 -0.80 -4.35 118.68 117.16 1vwq s LEU 56 Ca 0.54 -0.42 -0.02 0.00 0.05 0.00 0.00 54.13 54.28 1vwq s LEU 56 Cb -0.14 -0.39 -0.00 0.00 -2.05 0.00 0.00 46.19 43.61 1vwq s LEU 56 CO 0.19 -0.04 0.03 0.28 -0.55 0.00 0.00 176.35 176.26 1vwq s THR 57 N -0.89 0.04 0.00 5.48 -1.32 -1.03 -2.43 115.64 115.48 1vwq s THR 57 Ca -0.02 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1vwq s THR 57 Cb -0.07 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.75 1vwq s THR 57 CO 0.01 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1vwq n GLY 58 N 2.46 1.57 3.20 6.08 0.00 -0.13 -0.84 105.19 117.53 1vwq n GLY 58 Ca -0.17 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1vwq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vwq s ARG 59 N -1.43 0.79 0.22 1.61 1.81 -0.58 -1.34 118.95 120.04 1vwq s ARG 59 Ca 0.00 -0.81 -0.02 0.00 -1.72 0.00 0.00 55.73 53.18 1vwq s ARG 59 Cb 0.00 0.33 -0.03 0.00 -0.45 0.00 0.00 34.95 34.79 1vwq s ARG 59 CO 0.00 -0.24 0.20 1.52 -0.68 0.00 0.00 175.30 176.09 1vwq s TYR 60 N -3.32 1.12 -0.38 -0.53 1.13 -0.50 -1.79 117.35 113.08 1vwq s TYR 60 Ca 0.01 -1.32 -0.21 0.00 -1.41 0.00 0.00 57.07 54.13 1vwq s TYR 60 Cb 0.02 -0.47 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 1vwq s TYR 60 CO -0.08 -0.72 0.69 0.34 -2.51 0.00 0.00 175.55 173.27 1vwq s ASP 61 N -3.16 6.44 0.34 -0.18 3.68 -0.64 -4.56 116.67 118.59 1vwq s ASP 61 Ca 0.37 0.11 0.25 0.00 2.13 0.00 0.00 52.55 55.41 1vwq s ASP 61 Cb 0.05 -2.35 0.66 0.00 -1.45 0.00 0.00 42.92 39.83 1vwq s ASP 61 CO 0.13 -0.68 1.72 0.77 0.13 0.00 0.00 175.17 177.24 1vwq h SER 62 N 8.57 0.00 -2.15 -0.34 4.64 -1.91 -3.34 113.55 119.02 1vwq h SER 62 Ca -0.26 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.48 1vwq h SER 62 Cb 1.10 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.78 1vwq h SER 62 CO 0.87 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 176.08 1vwq n ALA 63 N -1.94 3.67 -0.38 5.18 0.00 -1.26 -4.99 120.51 120.79 1vwq n ALA 63 Ca 0.04 -4.37 -0.29 0.00 0.00 0.00 0.00 53.44 48.83 1vwq n ALA 63 Cb 0.45 -0.85 0.28 0.00 0.00 0.00 0.00 19.45 19.32 1vwq n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vwq n PRO 64 N 0.75 -3.48 -2.06 0.00 -0.04 -1.25 -4.97 135.00 123.96 1vwq n PRO 64 Ca 0.28 -1.01 -0.32 0.00 -0.04 0.00 0.00 63.50 62.41 1vwq n PRO 64 Cb 0.45 -2.05 0.01 0.00 -0.04 0.00 0.00 33.50 31.86 1vwq n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vwq s ALA 65 N -2.28 2.80 -0.61 0.55 0.00 -1.26 -4.93 121.76 116.04 1vwq s ALA 65 Ca 0.68 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 1vwq s ALA 65 Cb -0.21 -3.20 0.17 0.00 0.00 0.00 0.00 23.12 19.88 1vwq s ALA 65 CO 0.62 -0.74 2.50 0.25 0.00 0.00 0.00 175.76 178.39 1vwq n THR 66 N -2.08 3.45 -4.46 0.00 -2.24 -1.26 -4.70 114.28 102.99 1vwq n THR 66 Ca 0.08 -3.50 -0.23 0.00 -2.27 0.00 0.00 64.05 58.13 1vwq n THR 66 Cb 0.53 -1.47 -0.09 0.00 -2.10 0.00 0.00 70.33 67.21 1vwq n THR 66 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1vwq s ASP 67 N -0.18 2.42 -1.08 3.42 -4.77 -1.26 -5.01 116.67 110.21 1vwq s ASP 67 Ca 0.56 -1.62 -0.08 0.00 -3.30 0.00 0.00 52.55 48.11 1vwq s ASP 67 Cb 0.40 0.42 -0.11 0.00 -1.09 0.00 0.00 42.92 42.54 1vwq s ASP 67 CO -0.29 -0.90 2.80 0.61 0.70 0.00 0.00 175.17 178.09 1vwq n GLY 68 N -0.80 3.62 3.91 2.12 0.00 -1.26 -4.88 105.19 107.89 1vwq n GLY 68 Ca -0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 1vwq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwq s SER 69 N 2.47 4.80 0.54 1.61 0.01 -1.26 -5.13 113.70 116.75 1vwq s SER 69 Ca 0.59 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.86 1vwq s SER 69 Cb 0.18 0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.54 1vwq s SER 69 CO -0.04 -0.98 0.75 -0.83 0.41 0.00 0.00 173.24 172.55 1vwq s GLY 70 N -4.27 1.84 -0.28 3.44 0.00 -1.26 -4.97 107.32 101.81 1vwq s GLY 70 Ca 0.42 -1.64 -0.10 0.00 0.00 0.00 0.00 44.72 43.40 1vwq s GLY 70 CO 0.26 -1.31 0.17 -1.59 0.00 0.00 0.00 173.10 170.62 1vwq s THR 71 N -2.68 5.07 0.25 0.90 2.01 -0.20 -4.82 115.64 116.18 1vwq s THR 71 Ca 0.59 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1vwq s THR 71 Cb -0.09 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1vwq s THR 71 CO 0.38 0.24 1.10 0.00 -0.69 0.00 0.00 174.62 175.65 1vwq s ALA 72 N 1.72 3.40 0.30 7.40 0.00 -1.26 -0.82 121.76 132.50 1vwq s ALA 72 Ca 0.07 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1vwq s ALA 72 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1vwq s ALA 72 CO 0.09 -0.17 0.63 -0.48 0.00 0.00 0.00 175.76 175.84 1vwq s LEU 73 N -1.13 0.12 -0.03 0.00 0.05 -0.50 -1.62 118.68 115.56 1vwq s LEU 73 Ca 0.46 -0.93 -0.29 0.00 0.05 0.00 0.00 54.13 53.42 1vwq s LEU 73 Cb -0.31 2.32 0.11 0.00 -2.05 0.00 0.00 46.19 46.25 1vwq s LEU 73 CO 0.39 -1.36 0.90 -0.83 -0.55 0.00 0.00 176.35 174.90 1vwq s GLY 74 N -3.02 -0.44 0.16 -3.48 0.00 -0.74 -1.77 107.32 98.04 1vwq s GLY 74 Ca 0.18 1.20 -0.18 0.00 0.00 0.00 0.00 44.72 45.91 1vwq s GLY 74 CO 0.10 0.48 0.49 0.66 0.00 0.00 0.00 173.10 174.83 1vwq s TRP 75 N -2.71 -0.26 0.05 1.90 -2.14 -0.78 -1.53 118.94 113.47 1vwq s TRP 75 Ca 0.03 -0.04 0.07 0.00 2.66 0.00 0.00 56.10 58.83 1vwq s TRP 75 Cb -0.01 0.38 -0.03 0.00 -3.10 0.00 0.00 33.47 30.71 1vwq s TRP 75 CO -0.07 -0.81 -0.19 0.99 -2.66 0.00 0.00 176.95 174.21 1vwq s THR 76 N -3.81 1.57 -0.05 0.66 2.01 -0.02 -1.19 115.64 114.80 1vwq s THR 76 Ca 0.04 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.84 1vwq s THR 76 Cb 0.00 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.15 1vwq s THR 76 CO -0.09 0.13 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.25 1vwq s VAL 77 N -0.86 0.45 -0.19 3.82 1.01 -0.47 -2.48 120.40 121.68 1vwq s VAL 77 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1vwq s VAL 77 Cb -0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1vwq s VAL 77 CO 0.02 0.22 0.09 0.00 0.00 0.00 0.00 175.10 175.42 1vwq s ALA 78 N 1.09 3.49 -1.47 5.51 0.00 -1.26 -0.67 121.76 128.44 1vwq s ALA 78 Ca -0.09 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 1vwq s ALA 78 Cb -0.14 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1vwq s ALA 78 CO -0.01 0.12 2.55 0.91 0.00 0.00 0.00 175.76 179.33 1vwq n TRP 79 N 3.64 2.69 -3.77 0.00 7.02 -0.32 -4.74 117.44 121.95 1vwq n TRP 79 Ca -0.16 -2.96 -0.14 0.00 -1.02 0.00 0.00 57.50 53.22 1vwq n TRP 79 Cb 0.52 -2.23 -0.15 0.00 -2.42 0.00 0.00 31.31 27.03 1vwq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1vwq s LYS 80 N 1.02 -0.00 0.00 -0.99 2.20 -1.26 -0.32 119.74 120.39 1vwq s LYS 80 Ca 0.58 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1vwq s LYS 80 Cb 0.17 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1vwq s LYS 80 CO -0.07 -0.16 0.00 0.27 -0.36 0.00 0.00 175.35 175.03 1vwq n ASN 81 N 4.13 0.00 -0.66 1.43 0.23 -0.14 -4.80 115.26 115.46 1vwq n ASN 81 Ca -0.27 -0.19 0.03 0.00 -0.53 0.00 0.00 54.58 53.63 1vwq n ASN 81 Cb 0.51 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.33 1vwq n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vwq n ASN 82 N -0.37 1.82 0.00 0.53 3.02 -1.26 -3.82 115.26 115.19 1vwq n ASN 82 Ca 0.00 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 1vwq n ASN 82 Cb 0.00 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1vwq n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vwq n TYR 83 N 0.23 0.00 -3.86 3.10 4.02 -1.26 -5.08 117.16 114.31 1vwq n TYR 83 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.86 1vwq n TYR 83 Cb 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.56 1vwq n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1vwq s ARG 84 N -0.69 0.39 -0.36 -0.72 6.06 -1.25 -5.09 118.95 117.29 1vwq s ARG 84 Ca 0.00 -0.23 0.01 0.00 -2.50 0.00 0.00 55.73 53.01 1vwq s ARG 84 Cb 0.00 0.16 0.15 0.00 0.06 0.00 0.00 34.95 35.32 1vwq s ARG 84 CO 0.00 -0.09 0.26 1.21 -2.50 0.00 0.00 175.30 174.18 1vwq s ASN 85 N -0.97 2.45 0.00 -2.12 3.84 -1.26 -0.96 114.94 115.92 1vwq s ASN 85 Ca -0.11 -2.22 0.11 0.00 0.21 0.00 0.00 52.86 50.86 1vwq s ASN 85 Cb -0.06 -0.24 0.52 0.00 -0.55 0.00 0.00 41.25 40.92 1vwq s ASN 85 CO 0.01 -0.28 1.36 0.00 -2.79 0.00 0.00 177.10 175.40 1vwq n ALA 86 N 3.89 2.52 -4.08 1.71 0.00 0.56 -4.92 120.51 120.20 1vwq n ALA 86 Ca 0.14 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 1vwq n ALA 86 Cb 0.40 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1vwq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vwq n HIS 87 N -0.23 -1.49 -3.70 0.00 -0.00 -1.26 -4.93 115.22 103.62 1vwq n HIS 87 Ca 0.09 0.56 -0.08 0.00 -0.00 0.00 0.00 57.72 58.30 1vwq n HIS 87 Cb 0.14 -3.23 -0.02 0.00 -0.00 0.00 0.00 29.99 26.88 1vwq n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1vwq s SER 88 N -4.16 -0.35 -0.02 0.41 1.04 -1.26 -2.02 113.70 107.33 1vwq s SER 88 Ca 0.12 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.09 1vwq s SER 88 Cb -0.06 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1vwq s SER 88 CO 0.94 -1.16 0.20 0.00 0.98 0.00 0.00 173.24 174.20 1vwq s ALA 89 N -3.77 -0.49 0.02 5.32 0.00 -0.56 -1.18 121.76 121.10 1vwq s ALA 89 Ca 0.08 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1vwq s ALA 89 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1vwq s ALA 89 CO -0.00 -0.19 -0.20 0.99 0.00 0.00 0.00 175.76 176.36 1vwq s THR 90 N -0.99 1.57 0.00 0.00 2.01 0.15 -1.27 115.64 117.12 1vwq s THR 90 Ca -0.11 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 60.93 1vwq s THR 90 Cb -0.06 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 1vwq s THR 90 CO 0.02 0.29 -0.20 0.42 -0.69 0.00 0.00 174.62 174.46 1vwq s THR 91 N -0.66 1.56 -0.08 -0.82 -4.23 -0.35 -1.36 115.64 109.70 1vwq s THR 91 Ca 0.07 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1vwq s THR 91 Cb -0.08 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1vwq s THR 91 CO 0.01 0.37 -0.24 0.26 -0.54 0.00 0.00 174.62 174.48 1vwq s TRP 92 N -0.55 2.52 -0.07 3.99 0.51 -0.34 -1.53 118.94 123.47 1vwq s TRP 92 Ca 0.07 -0.84 0.04 0.00 -2.12 0.00 0.00 56.10 53.25 1vwq s TRP 92 Cb -0.08 -1.66 0.00 0.00 -0.81 0.00 0.00 33.47 30.92 1vwq s TRP 92 CO -0.00 -0.29 -0.19 0.45 -0.51 0.00 0.00 176.95 176.41 1vwq s SER 93 N 0.07 2.50 0.00 2.95 0.15 -0.34 -1.87 113.70 117.15 1vwq s SER 93 Ca -0.10 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1vwq s SER 93 Cb -0.16 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1vwq s SER 93 CO 0.06 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1vwq n GLY 94 N 3.48 0.94 3.02 9.45 0.00 -0.73 -1.65 105.19 119.69 1vwq n GLY 94 Ca -0.20 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1vwq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vwq s GLN 95 N 1.05 0.38 -0.16 1.61 -2.07 -0.68 -1.41 119.66 118.38 1vwq s GLN 95 Ca 0.00 -0.63 -0.09 0.00 -1.82 0.00 0.00 55.36 52.81 1vwq s GLN 95 Cb 0.00 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 1vwq s GLN 95 CO 0.00 -0.07 0.16 -0.47 -1.32 0.00 0.00 175.29 173.59 1vwq s TYR 96 N -1.72 3.50 -0.11 9.60 5.04 0.00 -1.59 117.35 132.08 1vwq s TYR 96 Ca -0.13 0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 1vwq s TYR 96 Cb -0.08 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.16 1vwq s TYR 96 CO -0.02 0.48 -0.13 0.08 -1.34 0.00 0.00 175.55 174.62 1vwq s VAL 97 N -0.24 1.34 0.30 3.14 1.01 0.08 -1.03 120.40 124.99 1vwq s VAL 97 Ca 0.12 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1vwq s VAL 97 Cb -0.12 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1vwq s VAL 97 CO 0.02 0.41 0.38 0.61 0.00 0.00 0.00 175.10 176.52 1vwq n GLY 98 N 4.38 2.10 0.00 4.51 0.00 -1.26 -0.12 105.19 114.80 1vwq n GLY 98 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1vwq n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vwq n GLY 99 N 1.40 0.25 0.34 -0.02 0.00 -1.26 -4.50 105.19 101.40 1vwq n GLY 99 Ca 0.07 -2.30 -0.01 0.00 0.00 0.00 0.00 46.02 43.77 1vwq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwq n ALA 100 N -0.95 -0.12 -3.87 4.61 0.00 -1.26 -2.48 120.51 116.44 1vwq n ALA 100 Ca 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 53.44 54.03 1vwq n ALA 100 Cb 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 1vwq n ALA 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1vwq s GLU 101 N -5.82 2.07 0.44 0.00 -1.05 -1.26 -5.08 118.70 107.99 1vwq s GLU 101 Ca -0.12 -2.87 -0.22 0.00 -0.15 0.00 0.00 54.97 51.61 1vwq s GLU 101 Cb 0.18 -3.14 -0.09 0.00 -0.44 0.00 0.00 34.13 30.63 1vwq s GLU 101 CO 0.63 -1.22 1.02 0.00 0.95 0.00 0.00 175.26 176.64 1vwq s ALA 102 N -0.75 2.99 0.17 -0.84 0.00 -1.04 -4.85 121.76 117.44 1vwq s ALA 102 Ca 0.22 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1vwq s ALA 102 Cb -0.14 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.80 1vwq s ALA 102 CO -0.09 -0.18 0.57 -0.98 0.00 0.00 0.00 175.76 175.07 1vwq s ARG 103 N -2.93 1.30 -0.17 0.00 3.03 0.83 -4.23 118.95 116.78 1vwq s ARG 103 Ca 0.62 -0.61 0.01 0.00 2.03 0.00 0.00 55.73 57.78 1vwq s ARG 103 Cb -0.17 0.56 0.03 0.00 -1.03 0.00 0.00 34.95 34.34 1vwq s ARG 103 CO 0.21 -0.56 -0.14 0.42 -1.13 0.00 0.00 175.30 174.10 1vwq s ILE 104 N -3.79 1.69 -0.21 4.99 1.01 -0.43 -0.74 121.20 123.71 1vwq s ILE 104 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1vwq s ILE 104 Cb -0.01 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1vwq s ILE 104 CO -0.10 0.37 0.11 0.20 0.00 0.00 0.00 174.94 175.53 1vwq s ASN 105 N 1.42 5.88 0.19 3.58 -0.87 -0.62 -0.77 114.94 123.75 1vwq s ASN 105 Ca 0.03 0.10 -0.00 0.00 -1.57 0.00 0.00 52.86 51.41 1vwq s ASN 105 Cb -0.14 -2.04 -0.04 0.00 -0.02 0.00 0.00 41.25 39.01 1vwq s ASN 105 CO -0.10 0.12 0.08 0.42 -2.57 0.00 0.00 177.10 175.05 1vwq s THR 106 N 0.72 0.26 0.02 1.60 -4.23 0.11 -1.68 115.64 112.43 1vwq s THR 106 Ca 0.06 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1vwq s THR 106 Cb -0.13 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1vwq s THR 106 CO 0.02 -0.21 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.68 1vwq s GLN 107 N -4.06 0.81 0.14 3.99 -1.52 -0.66 -1.63 119.66 116.73 1vwq s GLN 107 Ca 0.32 -0.56 0.03 0.00 -1.95 0.00 0.00 55.36 53.21 1vwq s GLN 107 Cb 0.07 -0.77 -0.04 0.00 -0.22 0.00 0.00 33.01 32.05 1vwq s GLN 107 CO 0.08 0.20 -0.07 1.67 -0.25 0.00 0.00 175.29 176.92 1vwq s TRP 108 N -0.61 1.16 -0.09 0.91 1.48 0.36 -1.20 118.94 120.94 1vwq s TRP 108 Ca 0.01 -0.86 0.01 0.00 -1.06 0.00 0.00 56.10 54.20 1vwq s TRP 108 Cb -0.06 -0.63 0.02 0.00 -1.16 0.00 0.00 33.47 31.64 1vwq s TRP 108 CO 0.00 -0.04 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.24 1vwq s LEU 109 N -3.14 1.47 -0.21 -4.66 1.43 -0.58 -2.04 118.68 110.95 1vwq s LEU 109 Ca 0.17 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1vwq s LEU 109 Cb 0.04 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.43 1vwq s LEU 109 CO 0.00 -0.03 -0.16 -0.22 0.23 0.00 0.00 176.35 176.17 1vwq s LEU 110 N 1.12 2.60 -0.08 1.79 2.96 -0.45 -1.22 118.68 125.41 1vwq s LEU 110 Ca -0.06 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.01 1vwq s LEU 110 Cb -0.14 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1vwq s LEU 110 CO -0.02 -0.06 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.93 1vwq s THR 111 N 1.25 3.16 0.09 3.68 2.01 -0.39 -1.22 115.64 124.22 1vwq s THR 111 Ca 0.01 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1vwq s THR 111 Cb -0.15 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1vwq s THR 111 CO -0.10 0.57 0.04 -0.44 -0.69 0.00 0.00 174.62 174.00 1vwq s SER 112 N -0.37 5.24 0.07 3.53 0.01 -0.49 -1.50 113.70 120.19 1vwq s SER 112 Ca 0.04 -0.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 1vwq s SER 112 Cb -0.12 -1.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 1vwq s SER 112 CO 0.02 0.17 0.96 -0.83 0.41 0.00 0.00 173.24 173.97 1vwq s GLY 113 N -2.40 2.97 0.39 3.44 0.00 -0.86 -4.84 107.32 106.01 1vwq s GLY 113 Ca 0.27 0.55 0.04 0.00 0.00 0.00 0.00 44.72 45.59 1vwq s GLY 113 CO 0.20 1.52 0.15 -0.51 0.00 0.00 0.00 173.10 174.46 1vwq s THR 114 N 0.33 0.51 0.65 0.90 -4.23 -1.26 -5.02 115.64 107.51 1vwq s THR 114 Ca 0.48 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1vwq s THR 114 Cb -0.22 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1vwq s THR 114 CO 0.29 0.00 0.97 0.42 -0.54 0.00 0.00 174.62 175.76 1vwq s THR 115 N -3.26 3.23 0.43 3.99 -4.23 -1.26 -4.88 115.64 109.65 1vwq s THR 115 Ca 0.27 0.01 0.14 0.00 -1.18 0.00 0.00 61.69 60.94 1vwq s THR 115 Cb 0.03 -3.33 0.34 0.00 1.34 0.00 0.00 72.50 70.87 1vwq s THR 115 CO 0.16 -0.36 1.96 -0.33 -0.54 0.00 0.00 174.62 175.51 1vwq h GLU 116 N -0.39 0.40 -0.02 3.99 4.39 -2.00 -1.44 114.58 119.51 1vwq h GLU 116 Ca -0.45 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 1vwq h GLU 116 Cb 1.27 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1vwq h GLU 116 CO 0.61 0.26 -0.24 0.00 -1.16 0.00 0.00 179.01 178.48 1vwq h ALA 117 N 1.68 1.56 -0.54 3.43 0.00 -2.06 -2.76 119.26 120.56 1vwq h ALA 117 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vwq h ALA 117 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1vwq h ALA 117 CO -0.09 0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1vwq n ASN 118 N -4.23 3.61 -0.25 0.00 3.02 -0.57 -4.48 115.26 112.36 1vwq n ASN 118 Ca -0.02 -1.98 0.13 0.00 -0.03 0.00 0.00 54.58 52.68 1vwq n ASN 118 Cb 0.31 -0.36 0.41 0.00 -0.61 0.00 0.00 39.78 39.53 1vwq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vwq h ALA 119 N 4.09 1.90 -0.89 5.41 0.00 -1.17 -1.85 119.26 126.75 1vwq h ALA 119 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1vwq h ALA 119 Cb 0.95 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1vwq h ALA 119 CO 0.00 -0.14 0.58 0.11 0.00 0.00 0.00 179.25 179.80 1vwq h TRP 120 N 0.62 0.63 -0.67 0.00 5.08 -1.81 -1.70 115.95 118.10 1vwq h TRP 120 Ca 0.43 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 60.26 1vwq h TRP 120 Cb 0.76 -0.19 -0.10 0.00 -3.00 0.00 0.00 29.16 26.63 1vwq h TRP 120 CO -0.00 0.18 0.20 0.36 -1.28 0.00 0.00 178.44 177.90 1vwq n LYS 121 N -4.53 3.78 0.11 0.12 2.85 -0.70 -4.64 118.16 115.15 1vwq n LYS 121 Ca 0.19 -3.10 0.12 0.00 -1.05 0.00 0.00 58.31 54.47 1vwq n LYS 121 Cb 0.62 -2.19 0.21 0.00 -0.65 0.00 0.00 35.03 33.03 1vwq n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vwq h SER 122 N 2.75 0.00 -3.27 -5.58 4.64 -1.27 -3.46 113.55 107.36 1vwq h SER 122 Ca 0.21 -0.07 -0.65 0.00 -0.47 0.00 0.00 61.79 60.80 1vwq h SER 122 Cb 2.20 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.95 1vwq h SER 122 CO 0.65 0.04 -0.86 -0.89 -0.87 0.00 0.00 176.83 174.90 1vwq s THR 123 N -3.19 1.89 0.14 2.95 2.01 -1.26 -1.40 115.64 116.78 1vwq s THR 123 Ca 0.07 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1vwq s THR 123 Cb 0.11 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1vwq s THR 123 CO 0.69 0.52 0.20 -0.76 -0.69 0.00 0.00 174.62 174.57 1vwq s LEU 124 N 0.71 4.08 0.04 4.42 1.43 -0.36 -4.93 118.68 124.07 1vwq s LEU 124 Ca -0.11 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1vwq s LEU 124 Cb -0.16 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1vwq s LEU 124 CO 0.02 0.08 -0.13 0.54 0.23 0.00 0.00 176.35 177.09 1vwq s VAL 125 N -1.68 1.01 0.03 -1.59 0.11 -1.26 -1.34 120.40 115.68 1vwq s VAL 125 Ca 0.33 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1vwq s VAL 125 Cb -0.11 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1vwq s VAL 125 CO 0.26 -0.06 0.07 0.61 -3.33 0.00 0.00 175.10 172.65 1vwq n GLY 126 N 1.82 1.78 3.10 6.54 0.00 -0.87 -4.99 105.19 112.57 1vwq n GLY 126 Ca -0.19 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1vwq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vwq s HIS 127 N -7.90 0.10 0.01 1.61 -3.43 -1.26 -0.49 115.29 103.92 1vwq s HIS 127 Ca 0.01 -0.27 -0.03 0.00 -0.80 0.00 0.00 55.06 53.97 1vwq s HIS 127 Cb -0.00 -0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.05 1vwq s HIS 127 CO 0.01 -0.30 0.05 -0.51 -2.00 0.00 0.00 174.74 171.99 1vwq s ASP 128 N -1.58 0.11 -0.06 7.38 1.01 -0.64 -4.94 116.67 117.95 1vwq s ASP 128 Ca -0.13 -0.29 0.04 0.00 0.71 0.00 0.00 52.55 52.88 1vwq s ASP 128 Cb -0.06 0.15 0.00 0.00 1.01 0.00 0.00 42.92 44.02 1vwq s ASP 128 CO -0.00 -0.29 -0.17 -0.89 0.21 0.00 0.00 175.17 174.03 1vwq s THR 129 N -1.23 1.43 0.03 -1.27 2.01 -1.26 -0.72 115.64 114.64 1vwq s THR 129 Ca -0.13 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.26 1vwq s THR 129 Cb -0.08 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1vwq s THR 129 CO 0.00 0.42 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.74 1vwq s PHE 130 N 0.24 2.37 0.31 4.92 0.40 0.05 -3.86 117.98 122.41 1vwq s PHE 130 Ca -0.09 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1vwq s PHE 130 Cb -0.13 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1vwq s PHE 130 CO 0.03 0.12 0.09 0.95 0.70 0.00 0.00 175.22 177.12 1vwq s THR 131 N -0.79 0.82 -1.00 0.64 -4.23 -0.33 -1.32 115.64 109.43 1vwq s THR 131 Ca 0.12 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1vwq s THR 131 Cb -0.10 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1vwq s THR 131 CO 0.02 0.00 1.47 0.29 -0.54 0.00 0.00 174.62 175.86 1vwq n LYS 132 N -0.61 0.00 0.00 3.99 5.02 -1.26 -0.79 118.16 124.51 1vwq n LYS 132 Ca -0.01 -0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 1vwq n LYS 132 Cb 0.66 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.23 1vwq n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16