#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxm n SER 2 N 0.00 -5.42 0.00 1.61 2.88 -1.26 -3.60 113.62 107.83 1wxm n SER 2 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wxm n SER 2 Cb 0.00 -3.28 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 1wxm n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wxm n SER 3 N 1.72 0.00 0.00 -3.46 2.88 -1.26 -4.80 113.62 108.70 1wxm n SER 3 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wxm n SER 3 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1wxm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 4 N 0.00 0.27 2.75 0.46 0.00 -1.24 -5.04 105.19 102.39 1wxm n GLY 4 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 1wxm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxm n SER 5 N -0.31 -5.94 -3.31 1.61 7.64 -1.26 -5.05 113.62 107.00 1wxm n SER 5 Ca 0.00 1.30 -0.06 0.00 1.01 0.00 0.00 58.87 61.11 1wxm n SER 5 Cb 0.00 -4.80 -0.07 0.00 -1.01 0.00 0.00 64.21 58.33 1wxm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wxm s SER 6 N -1.26 -0.11 0.55 6.43 0.01 -1.26 -5.12 113.70 112.94 1wxm s SER 6 Ca -0.07 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1wxm s SER 6 Cb 0.00 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.57 1wxm s SER 6 CO 0.68 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1wxm n GLY 7 N 5.38 1.91 2.65 3.44 0.00 -1.26 -4.42 105.19 112.89 1wxm n GLY 7 Ca -0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1wxm n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wxm n GLY 8 N 0.00 0.79 3.64 -0.02 0.00 -1.26 -5.13 105.19 103.21 1wxm n GLY 8 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1wxm n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wxm s THR 9 N 0.11 0.00 0.02 2.61 -4.23 -1.26 -3.24 115.64 109.65 1wxm s THR 9 Ca 0.29 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1wxm s THR 9 Cb 0.26 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1wxm s THR 9 CO -0.14 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.19 1wxm s VAL 10 N -3.71 0.46 -0.11 2.29 1.01 0.14 -4.71 120.40 115.78 1wxm s VAL 10 Ca 0.21 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1wxm s VAL 10 Cb -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1wxm s VAL 10 CO 0.10 -0.19 0.47 -0.54 0.00 0.00 0.00 175.10 174.94 1wxm s LYS 11 N -1.00 4.32 -0.17 2.72 1.02 -1.26 0.02 119.74 125.38 1wxm s LYS 11 Ca -0.06 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.38 1wxm s LYS 11 Cb -0.07 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1wxm s LYS 11 CO 0.00 0.19 -0.20 0.08 -0.92 0.00 0.00 175.35 174.51 1wxm s VAL 12 N 0.51 2.01 -0.31 3.17 1.01 0.14 -3.09 120.40 123.84 1wxm s VAL 12 Ca 0.25 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1wxm s VAL 12 Cb -0.15 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1wxm s VAL 12 CO 0.10 0.53 0.75 -0.31 0.00 0.00 0.00 175.10 176.18 1wxm s TYR 13 N 1.23 3.20 0.44 5.22 2.02 -0.14 0.27 117.35 129.58 1wxm s TYR 13 Ca 0.03 0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 57.43 1wxm s TYR 13 Cb -0.13 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 1wxm s TYR 13 CO -0.11 -0.56 0.72 -0.51 -1.57 0.00 0.00 175.55 173.52 1wxm s LEU 14 N 2.89 3.75 -1.15 -1.29 1.43 0.15 0.42 118.68 124.87 1wxm s LEU 14 Ca 0.31 0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.03 1wxm s LEU 14 Cb -0.14 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1wxm s LEU 14 CO 0.13 -0.49 1.99 -0.81 0.23 0.00 0.00 176.35 177.40 1wxm n PRO 15 N -2.05 2.24 0.00 1.29 -0.04 -0.77 -3.49 135.00 132.17 1wxm n PRO 15 Ca -0.01 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1wxm n PRO 15 Cb 0.55 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1wxm n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wxm n ASN 16 N 8.42 0.00 -1.81 3.54 2.85 -1.26 -4.92 115.26 122.08 1wxm n ASN 16 Ca 0.49 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.88 1wxm n ASN 16 Cb 0.42 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.42 1wxm n ASN 16 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wxm n LYS 17 N 0.00 -1.79 -4.19 1.20 5.02 -1.23 -4.89 118.16 112.28 1wxm n LYS 17 Ca 0.00 0.44 -0.23 0.00 -2.02 0.00 0.00 58.31 56.50 1wxm n LYS 17 Cb 0.00 -4.79 -0.07 0.00 -0.02 0.00 0.00 35.03 30.16 1wxm n LYS 17 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wxm s GLN 18 N -3.78 2.37 0.03 1.97 -0.21 -1.23 -5.00 119.66 113.81 1wxm s GLN 18 Ca 0.00 -1.46 -0.08 0.00 0.02 0.00 0.00 55.36 53.84 1wxm s GLN 18 Cb 0.00 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1wxm s GLN 18 CO 0.00 0.24 0.16 -0.98 -2.12 0.00 0.00 175.29 172.59 1wxm s ARG 19 N -3.77 0.63 -0.02 2.91 3.03 -1.26 0.31 118.95 120.77 1wxm s ARG 19 Ca 0.35 -0.60 -0.02 0.00 2.03 0.00 0.00 55.73 57.49 1wxm s ARG 19 Cb -0.04 0.26 0.01 0.00 -1.03 0.00 0.00 34.95 34.15 1wxm s ARG 19 CO 0.22 -0.17 0.06 -0.08 -1.13 0.00 0.00 175.30 174.19 1wxm s THR 20 N -2.30 -0.02 -0.18 4.99 -1.32 0.14 -4.92 115.64 112.03 1wxm s THR 20 Ca -0.07 0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.30 1wxm s THR 20 Cb -0.03 -0.10 -0.04 0.00 -1.51 0.00 0.00 72.50 70.83 1wxm s THR 20 CO -0.03 0.03 0.46 -0.69 -2.21 0.00 0.00 174.62 172.18 1wxm s VAL 21 N 0.36 5.16 0.30 5.08 1.01 -1.26 0.25 120.40 131.31 1wxm s VAL 21 Ca -0.03 0.86 0.10 0.00 0.00 0.00 0.00 61.98 62.91 1wxm s VAL 21 Cb -0.04 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1wxm s VAL 21 CO -0.01 0.24 -0.02 -0.69 0.00 0.00 0.00 175.10 174.62 1wxm s VAL 22 N 1.25 2.95 -0.04 2.92 1.01 0.10 -4.89 120.40 123.71 1wxm s VAL 22 Ca 0.23 -2.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.01 1wxm s VAL 22 Cb -0.15 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1wxm s VAL 22 CO 0.09 -0.30 0.58 -0.89 0.00 0.00 0.00 175.10 174.58 1wxm s THR 23 N -2.44 5.00 -0.47 3.92 2.01 -1.26 0.27 115.64 122.66 1wxm s THR 23 Ca 0.33 1.19 -0.27 0.00 0.31 0.00 0.00 61.69 63.25 1wxm s THR 23 Cb -0.03 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.59 1wxm s THR 23 CO 0.19 0.38 1.01 -0.69 -0.69 0.00 0.00 174.62 174.82 1wxm s VAL 24 N 0.09 4.36 0.48 3.82 1.01 -1.20 -4.88 120.40 124.08 1wxm s VAL 24 Ca 0.31 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.26 1wxm s VAL 24 Cb -0.17 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.71 1wxm s VAL 24 CO 0.16 -0.92 0.38 -0.13 0.00 0.00 0.00 175.10 174.58 1wxm s ARG 25 N 4.05 2.35 -0.35 2.72 0.52 -1.26 -4.93 118.95 122.04 1wxm s ARG 25 Ca 0.41 -1.81 0.15 0.00 -0.52 0.00 0.00 55.73 53.95 1wxm s ARG 25 Cb -0.09 -2.20 0.45 0.00 0.52 0.00 0.00 34.95 33.63 1wxm s ARG 25 CO 0.28 -0.41 1.01 -0.25 0.02 0.00 0.00 175.30 175.95 1wxm n ASP 26 N -1.64 2.41 -2.36 0.23 8.00 -1.26 -3.43 116.55 118.51 1wxm n ASP 26 Ca 0.01 -2.96 -0.03 0.00 0.71 0.00 0.00 54.79 52.52 1wxm n ASP 26 Cb 0.63 -0.50 0.06 0.00 -0.02 0.00 0.00 41.12 41.29 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wxm n GLY 27 N -0.22 0.44 3.59 0.44 0.00 -1.26 -5.02 105.19 103.16 1wxm n GLY 27 Ca 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1wxm n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wxm s MET 28 N 0.09 0.78 0.58 1.61 0.23 -1.26 -5.12 119.30 116.20 1wxm s MET 28 Ca 0.08 -0.34 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 1wxm s MET 28 Cb 0.23 0.33 0.11 0.00 -1.53 0.00 0.00 34.83 33.97 1wxm s MET 28 CO -0.06 -0.35 0.79 -1.13 -2.03 0.00 0.00 175.02 172.24 1wxm n SER 29 N -0.29 1.13 0.10 -1.18 3.41 -1.26 -2.37 113.62 113.15 1wxm n SER 29 Ca -0.07 -1.94 -0.03 0.00 -0.26 0.00 0.00 58.87 56.57 1wxm n SER 29 Cb 0.61 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1wxm n SER 29 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1wxm h VAL 30 N -0.52 1.46 0.59 -3.33 2.07 -1.28 -2.79 116.25 112.46 1wxm h VAL 30 Ca -0.26 -2.86 -0.03 0.00 0.82 0.00 0.00 66.70 64.37 1wxm h VAL 30 Cb 0.98 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1wxm h VAL 30 CO 0.29 0.79 -0.29 0.22 0.02 0.00 0.00 177.57 178.60 1wxm h TYR 31 N 0.00 -0.74 0.00 1.57 3.20 -1.76 1.10 116.97 120.34 1wxm h TYR 31 Ca -0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1wxm h TYR 31 Cb 1.53 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 40.04 1wxm h TYR 31 CO 0.00 -0.41 -0.09 -0.44 -1.64 0.00 0.00 178.16 175.58 1wxm h ASP 32 N -0.94 0.00 0.17 -2.11 3.32 -1.87 1.58 116.42 116.57 1wxm h ASP 32 Ca -0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1wxm h ASP 32 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1wxm h ASP 32 CO 0.13 0.09 -0.08 0.28 -1.72 0.00 0.00 179.24 177.94 1wxm h SER 33 N 0.00 -0.19 0.56 6.45 0.02 -1.18 -3.27 113.55 115.95 1wxm h SER 33 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1wxm h SER 33 Cb 0.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1wxm h SER 33 CO 0.01 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 176.03 1wxm n LEU 34 N -4.24 0.52 0.00 5.07 7.99 0.38 -3.69 117.00 123.03 1wxm n LEU 34 Ca -0.03 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 1wxm n LEU 34 Cb 0.09 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 42.80 1wxm n LEU 34 CO 0.07 -0.56 0.39 -0.67 -1.51 0.00 0.00 177.39 175.11 1wxm n ASP 35 N -2.09 0.00 -0.26 -1.43 -0.08 0.54 -0.04 116.55 113.19 1wxm n ASP 35 Ca 0.02 0.78 0.06 0.00 -1.51 0.00 0.00 54.79 54.14 1wxm n ASP 35 Cb 0.18 -0.28 0.19 0.00 2.34 0.00 0.00 41.12 43.56 1wxm n ASP 35 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1wxm h LYS 36 N 0.00 0.40 -1.29 -0.67 2.10 -1.74 0.80 116.57 116.17 1wxm h LYS 36 Ca 0.00 -0.02 0.38 0.00 -2.00 0.00 0.00 60.65 59.00 1wxm h LYS 36 Cb 0.00 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 31.19 1wxm h LYS 36 CO 0.00 0.26 0.93 0.00 -2.00 0.00 0.00 179.45 178.65 1wxm h ALA 37 N 1.57 3.23 0.00 0.07 0.00 -1.01 0.94 119.26 124.06 1wxm h ALA 37 Ca 0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1wxm h ALA 37 Cb 0.67 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wxm h ALA 37 CO -0.43 -1.60 -0.83 1.28 0.00 0.00 0.00 179.25 177.67 1wxm n LEU 38 N -4.14 1.84 -0.25 0.00 4.77 0.25 -4.23 117.00 115.24 1wxm n LEU 38 Ca 0.28 0.54 -0.01 0.00 -0.03 0.00 0.00 56.01 56.79 1wxm n LEU 38 Cb 1.35 -0.88 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1wxm n LEU 38 CO 0.41 -0.24 0.67 0.11 -1.33 0.00 0.00 177.39 177.01 1wxm h LYS 39 N -1.00 -0.06 -0.90 3.23 1.79 0.51 1.96 116.57 122.10 1wxm h LYS 39 Ca -0.11 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.59 1wxm h LYS 39 Cb 0.79 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.29 1wxm h LYS 39 CO -0.07 -0.04 -0.04 1.55 -1.08 0.00 0.00 179.45 179.77 1wxm n VAL 40 N -5.47 -0.38 0.01 0.50 3.14 0.32 0.11 118.33 116.55 1wxm n VAL 40 Ca 0.08 2.01 -0.11 0.00 -2.96 0.00 0.00 64.34 63.35 1wxm n VAL 40 Cb 0.38 -2.90 -0.14 0.00 -1.06 0.00 0.00 33.84 30.12 1wxm n VAL 40 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1wxm h ARG 41 N 0.00 0.08 0.00 1.45 3.08 -0.12 -3.48 114.38 115.38 1wxm h ARG 41 Ca 0.52 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1wxm h ARG 41 Cb 1.02 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1wxm h ARG 41 CO -0.87 0.76 0.00 0.41 -1.07 0.00 0.00 179.97 179.20 1wxm n GLY 42 N 1.61 1.30 3.52 0.04 0.00 0.61 -5.11 105.19 107.16 1wxm n GLY 42 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1wxm n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxm s LEU 43 N 0.00 0.25 0.14 0.99 1.43 -0.26 -4.85 118.68 116.39 1wxm s LEU 43 Ca 0.00 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1wxm s LEU 43 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1wxm s LEU 43 CO 0.00 -4.46 -0.10 0.21 0.23 0.00 0.00 176.35 172.23 1wxm s ASN 44 N -3.74 1.76 -0.50 2.29 2.47 -1.26 -4.22 114.94 111.73 1wxm s ASN 44 Ca 0.71 -1.00 -0.02 0.00 0.42 0.00 0.00 52.86 52.97 1wxm s ASN 44 Cb -0.10 -0.01 0.30 0.00 -1.45 0.00 0.00 41.25 39.99 1wxm s ASN 44 CO 0.56 -0.33 2.10 0.00 -3.72 0.00 0.00 177.10 175.72 1wxm n GLN 45 N -0.15 2.27 0.00 0.43 3.00 -1.26 -3.62 117.38 118.05 1wxm n GLN 45 Ca -0.11 -2.45 0.00 0.00 -0.01 0.00 0.00 57.00 54.44 1wxm n GLN 45 Cb 0.60 -1.97 0.00 0.00 0.00 0.00 0.00 30.24 28.87 1wxm n GLN 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1wxm n ASP 46 N -0.15 0.00 -2.14 1.08 2.03 -1.26 -4.83 116.55 111.27 1wxm n ASP 46 Ca 0.46 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.52 1wxm n ASP 46 Cb 0.58 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.14 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wxm s VAL 49 N -1.79 0.34 -0.15 0.00 0.11 0.13 -4.73 120.40 114.31 1wxm s VAL 49 Ca -0.13 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 1wxm s VAL 49 Cb -0.07 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1wxm s VAL 49 CO -0.02 -0.38 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.52 1wxm s VAL 50 N -1.26 2.49 -0.09 2.04 1.01 -1.26 -0.05 120.40 123.28 1wxm s VAL 50 Ca -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1wxm s VAL 50 Cb -0.09 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1wxm s VAL 50 CO -0.00 0.52 0.06 -0.31 0.00 0.00 0.00 175.10 175.37 1wxm s TYR 51 N 0.84 3.33 -0.14 5.22 2.02 0.11 -0.72 117.35 128.02 1wxm s TYR 51 Ca -0.05 0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.92 1wxm s TYR 51 Cb -0.15 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1wxm s TYR 51 CO -0.01 0.57 0.03 1.03 -1.57 0.00 0.00 175.55 175.60 1wxm s ARG 52 N -0.98 3.52 -0.63 -0.62 0.52 0.13 0.14 118.95 121.03 1wxm s ARG 52 Ca 0.14 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 54.71 1wxm s ARG 52 Cb -0.12 -3.01 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1wxm s ARG 52 CO 0.04 0.47 1.16 -0.51 0.02 0.00 0.00 175.30 176.47 1wxm s LEU 53 N -0.21 3.54 -0.27 2.53 2.01 -1.07 0.11 118.68 125.32 1wxm s LEU 53 Ca 0.06 -0.22 0.02 0.00 0.01 0.00 0.00 54.13 54.00 1wxm s LEU 53 Cb -0.12 -2.87 0.07 0.00 0.01 0.00 0.00 46.19 43.28 1wxm s LEU 53 CO 0.02 -1.55 -0.04 -0.63 1.01 0.00 0.00 176.35 175.16 1wxm s ILE 54 N 4.97 1.80 0.00 -0.59 1.09 -1.05 -4.81 121.20 122.60 1wxm s ILE 54 Ca 0.37 -1.58 0.00 0.00 -1.10 0.00 0.00 60.65 58.34 1wxm s ILE 54 Cb -0.09 -2.10 0.00 0.00 -1.06 0.00 0.00 42.46 39.21 1wxm s ILE 54 CO 0.20 -0.23 0.00 0.29 -0.10 0.00 0.00 174.94 175.10 1wxm n LYS 55 N 4.54 0.00 0.00 2.79 4.01 -1.26 -2.93 118.16 125.31 1wxm n LYS 55 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 1wxm n LYS 55 Cb 0.43 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.95 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wxm n GLY 56 N 0.00 0.00 3.23 0.72 0.00 -1.26 -5.17 105.19 102.71 1wxm n GLY 56 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1wxm n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wxm s ARG 57 N 0.00 0.73 -0.38 1.61 1.04 -1.15 -5.12 118.95 115.69 1wxm s ARG 57 Ca 0.00 -0.44 -0.29 0.00 -1.04 0.00 0.00 55.73 53.96 1wxm s ARG 57 Cb 0.00 0.32 0.02 0.00 -2.04 0.00 0.00 34.95 33.24 1wxm s ARG 57 CO 0.00 -0.22 1.20 0.15 -0.04 0.00 0.00 175.30 176.39 1wxm s LYS 58 N -2.16 3.84 -0.45 3.89 3.01 -1.26 -2.54 119.74 124.08 1wxm s LYS 58 Ca -0.08 0.92 -0.09 0.00 -1.01 0.00 0.00 55.97 55.71 1wxm s LYS 58 Cb -0.02 -3.87 0.10 0.00 -1.01 0.00 0.00 37.83 33.03 1wxm s LYS 58 CO -0.01 -1.21 0.31 0.99 0.51 0.00 0.00 175.35 175.94 1wxm s THR 59 N 4.35 4.27 0.23 2.17 2.01 0.12 -4.79 115.64 123.99 1wxm s THR 59 Ca 0.51 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 1wxm s THR 59 Cb -0.12 -3.71 -0.15 0.00 0.01 0.00 0.00 72.50 68.53 1wxm s THR 59 CO 0.25 -0.64 0.98 0.52 -0.69 0.00 0.00 174.62 175.04 1wxm n VAL 60 N 4.93 1.56 -4.22 3.82 0.31 -1.26 0.20 118.33 123.67 1wxm n VAL 60 Ca -0.09 -0.39 -0.23 0.00 -0.01 0.00 0.00 64.34 63.61 1wxm n VAL 60 Cb 0.42 -0.74 -0.07 0.00 -0.91 0.00 0.00 33.84 32.54 1wxm n VAL 60 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wxm s THR 61 N -0.72 3.06 -0.14 2.52 -1.32 0.10 -4.80 115.64 114.35 1wxm s THR 61 Ca 0.65 -1.83 -0.07 0.00 -1.21 0.00 0.00 61.69 59.24 1wxm s THR 61 Cb -0.81 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 67.25 1wxm s THR 61 CO 0.56 -0.25 0.11 0.00 -2.21 0.00 0.00 174.62 172.84 1wxm s ALA 62 N -2.42 3.70 0.44 11.08 0.00 -1.26 -4.70 121.76 128.61 1wxm s ALA 62 Ca 0.35 -0.69 0.24 0.00 0.00 0.00 0.00 51.96 51.86 1wxm s ALA 62 Cb -0.03 -1.93 1.35 0.00 0.00 0.00 0.00 23.12 22.51 1wxm s ALA 62 CO 0.21 0.48 2.07 -1.49 0.00 0.00 0.00 175.76 177.03 1wxm h TRP 63 N 5.52 0.00 -0.18 0.00 4.06 -1.98 -1.29 115.95 122.07 1wxm h TRP 63 Ca -0.50 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.25 1wxm h TRP 63 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1wxm h TRP 63 CO 0.68 0.13 -0.70 0.22 -3.56 0.00 0.00 178.44 175.21 1wxm h ASP 64 N 0.00 0.88 -1.95 -3.49 3.58 -1.98 -2.85 116.42 110.61 1wxm h ASP 64 Ca -0.00 -0.54 -0.54 0.00 0.42 0.00 0.00 57.03 56.37 1wxm h ASP 64 Cb 0.30 -0.26 0.23 0.00 1.72 0.00 0.00 39.33 41.32 1wxm h ASP 64 CO 0.02 1.33 -1.77 0.41 -2.88 0.00 0.00 179.24 176.35 1wxm n THR 65 N -3.94 0.00 -2.34 2.25 -1.04 -0.49 -4.55 114.28 104.17 1wxm n THR 65 Ca -0.06 -0.49 -0.26 0.00 -2.04 0.00 0.00 64.05 61.21 1wxm n THR 65 Cb 0.70 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.34 1wxm n THR 65 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wxm s ALA 66 N -1.95 3.19 -0.36 2.41 0.00 -1.26 -1.49 121.76 122.30 1wxm s ALA 66 Ca 0.40 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1wxm s ALA 66 Cb -0.20 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 20.64 1wxm s ALA 66 CO 0.80 -1.71 0.74 1.51 0.00 0.00 0.00 175.76 177.09 1wxm n ILE 67 N -3.11 0.29 -0.00 0.00 0.13 -1.00 -4.30 119.36 111.37 1wxm n ILE 67 Ca 0.14 -0.64 -0.08 0.00 -1.10 0.00 0.00 62.75 61.07 1wxm n ILE 67 Cb 0.60 0.90 -0.06 0.00 -0.84 0.00 0.00 39.64 40.24 1wxm n ILE 67 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wxm h ALA 68 N 0.61 -0.11 0.00 1.51 0.00 -1.79 -3.34 119.26 116.13 1wxm h ALA 68 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 1wxm h ALA 68 Cb 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wxm h ALA 68 CO 0.00 -0.14 1.48 -0.35 0.00 0.00 0.00 179.25 180.24 1wxm n PRO 69 N -4.81 2.13 -0.97 0.00 -0.04 -1.26 -3.27 135.00 126.78 1wxm n PRO 69 Ca -0.06 -1.26 -0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1wxm n PRO 69 Cb 0.23 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1wxm n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wxm n LEU 70 N 3.28 0.08 -4.70 1.53 7.99 -1.25 -5.05 117.00 118.86 1wxm n LEU 70 Ca 0.46 -1.60 -0.42 0.00 -0.01 0.00 0.00 56.01 54.43 1wxm n LEU 70 Cb 0.43 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.71 1wxm n LEU 70 CO 0.46 0.79 0.94 -0.62 -1.51 0.00 0.00 177.39 177.45 1wxm s ASP 71 N -1.17 7.03 -0.44 -1.43 2.15 -1.20 -3.93 116.67 117.68 1wxm s ASP 71 Ca 0.12 1.99 -0.02 0.00 0.43 0.00 0.00 52.55 55.07 1wxm s ASP 71 Cb 0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1wxm s ASP 71 CO -0.06 -0.53 0.44 0.61 -0.17 0.00 0.00 175.17 175.45 1wxm n GLY 72 N 3.31 -0.94 1.36 2.66 0.00 -1.26 -5.06 105.19 105.27 1wxm n GLY 72 Ca 0.10 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 1wxm n GLY 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wxm n GLU 73 N -1.28 0.34 -3.71 1.61 -0.00 -1.25 -5.08 120.64 111.26 1wxm n GLU 73 Ca 0.01 -0.70 -0.11 0.00 -0.00 0.00 0.00 57.16 56.36 1wxm n GLU 73 Cb 0.46 0.90 -0.12 0.00 -0.00 0.00 0.00 31.44 32.68 1wxm n GLU 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1wxm s GLU 74 N -2.03 0.32 0.14 3.44 2.02 -1.26 -4.05 118.70 117.28 1wxm s GLU 74 Ca 0.07 0.66 0.07 0.00 0.02 0.00 0.00 54.97 55.79 1wxm s GLU 74 Cb -0.01 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1wxm s GLU 74 CO 0.03 -0.15 -0.06 -0.51 0.02 0.00 0.00 175.26 174.59 1wxm s LEU 75 N 1.26 3.14 -0.24 1.80 1.43 -1.18 -2.60 118.68 122.29 1wxm s LEU 75 Ca -0.09 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1wxm s LEU 75 Cb -0.09 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1wxm s LEU 75 CO -0.10 0.14 -0.12 -0.63 0.23 0.00 0.00 176.35 175.86 1wxm s ILE 76 N -1.48 2.29 -0.22 -0.59 1.01 0.12 -0.97 121.20 121.35 1wxm s ILE 76 Ca 0.24 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 1wxm s ILE 76 Cb -0.10 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1wxm s ILE 76 CO 0.16 0.16 0.41 -0.69 0.00 0.00 0.00 174.94 174.98 1wxm s VAL 77 N 1.20 5.18 0.29 2.92 1.01 0.17 0.08 120.40 131.24 1wxm s VAL 77 Ca -0.03 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1wxm s VAL 77 Cb -0.17 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1wxm s VAL 77 CO -0.07 0.21 0.12 -1.61 0.00 0.00 0.00 175.10 173.75 1wxm s GLU 78 N 1.60 1.54 -0.17 2.72 2.02 0.93 -1.86 118.70 125.48 1wxm s GLU 78 Ca 0.18 -1.86 -0.10 0.00 0.02 0.00 0.00 54.97 53.21 1wxm s GLU 78 Cb -0.15 -0.27 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 1wxm s GLU 78 CO 0.09 -0.36 0.17 0.08 0.02 0.00 0.00 175.26 175.25 1wxm s VAL 79 N -3.62 5.40 0.02 2.63 1.01 -1.26 0.21 120.40 124.79 1wxm s VAL 79 Ca 0.36 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 1wxm s VAL 79 Cb 0.06 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1wxm s VAL 79 CO 0.15 0.47 1.14 -0.07 0.00 0.00 0.00 175.10 176.80 1wxm h LEU 80 N 6.26 -0.32 -7.93 3.92 3.38 -0.26 -3.30 115.31 117.05 1wxm h LEU 80 Ca -0.44 0.02 -0.63 0.00 0.09 0.00 0.00 57.88 56.91 1wxm h LEU 80 Cb 1.17 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1wxm h LEU 80 CO 0.72 -0.19 1.95 -0.44 0.09 0.00 0.00 178.44 180.56 1wxm s SER 81 N -2.61 6.63 0.31 -0.43 0.01 -1.26 -4.88 113.70 111.47 1wxm s SER 81 Ca -0.05 -2.13 -0.02 0.00 1.31 0.00 0.00 55.95 55.06 1wxm s SER 81 Cb 0.01 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1wxm s SER 81 CO 0.15 -1.39 0.40 -0.83 0.41 0.00 0.00 173.24 171.98 1wxm s GLY 82 N 4.60 1.53 0.53 3.44 0.00 -1.25 -5.13 107.32 111.05 1wxm s GLY 82 Ca 0.53 -1.57 -0.18 0.00 0.00 0.00 0.00 44.72 43.50 1wxm s GLY 82 CO 0.04 -1.09 1.04 2.56 0.00 0.00 0.00 173.10 175.65 1wxm s PRO 83 N -3.35 3.60 -0.21 2.90 0.04 -1.26 -5.06 135.00 131.66 1wxm s PRO 83 Ca 0.32 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 1wxm s PRO 83 Cb 0.01 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1wxm s PRO 83 CO 0.19 -0.58 0.18 -1.12 0.04 0.00 0.00 177.00 175.71 1wxm s SER 84 N -2.41 1.87 -0.04 6.66 0.01 -1.26 -5.04 113.70 113.50 1wxm s SER 84 Ca 0.65 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 1wxm s SER 84 Cb -0.16 0.14 -0.10 0.00 0.21 0.00 0.00 66.02 66.11 1wxm s SER 84 CO 0.28 -0.35 0.72 -1.28 0.41 0.00 0.00 173.24 173.02 1wxm h SER 85 N 8.35 -0.42 0.00 2.44 0.87 -2.08 -3.57 113.55 119.14 1wxm h SER 85 Ca -0.16 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1wxm h SER 85 Cb 1.13 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1wxm h SER 85 CO 0.30 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.25