#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxm s SER 2 N 0.00 3.85 0.19 1.61 0.01 -1.26 -5.09 113.70 113.01 1wxm s SER 2 Ca 0.00 -1.10 -0.23 0.00 1.31 0.00 0.00 55.95 55.93 1wxm s SER 2 Cb 0.00 -1.39 0.05 0.00 0.21 0.00 0.00 66.02 64.89 1wxm s SER 2 CO 0.00 -0.15 0.79 -0.94 0.41 0.00 0.00 173.24 173.34 1wxm s SER 3 N 1.26 -0.30 0.00 2.44 1.04 -1.26 -5.13 113.70 111.75 1wxm s SER 3 Ca -0.04 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1wxm s SER 3 Cb -0.18 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1wxm s SER 3 CO -0.07 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1wxm n GLY 4 N -0.43 1.55 3.40 7.32 0.00 -1.26 -5.17 105.19 110.60 1wxm n GLY 4 Ca -0.07 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1wxm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wxm s SER 5 N 0.00 -0.18 -0.52 1.61 0.15 -1.26 -4.97 113.70 108.54 1wxm s SER 5 Ca 0.00 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.94 1wxm s SER 5 Cb 0.00 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1wxm s SER 5 CO 0.00 -0.94 0.64 -0.24 1.20 0.00 0.00 173.24 173.90 1wxm n SER 6 N -0.26 -6.69 0.00 5.45 2.88 -1.26 -4.70 113.62 109.04 1wxm n SER 6 Ca -0.12 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wxm n SER 6 Cb 0.63 -3.59 0.00 0.00 -0.75 0.00 0.00 64.21 60.50 1wxm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 7 N -0.58 -0.89 2.30 0.46 0.00 -1.26 -4.98 105.19 100.23 1wxm n GLY 7 Ca -0.02 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 4.14 3.48 -0.02 0.00 -1.26 -4.84 105.19 106.70 1wxm n GLY 8 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 0.17 0.00 0.01 2.61 -4.23 -1.26 -2.88 115.64 110.06 1wxm s THR 9 Ca 0.63 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1wxm s THR 9 Cb 0.26 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1wxm s THR 9 CO -0.09 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.28 1wxm s VAL 10 N -3.92 0.12 -0.10 2.29 1.01 0.15 -4.79 120.40 115.16 1wxm s VAL 10 Ca 0.28 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1wxm s VAL 10 Cb 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1wxm s VAL 10 CO 0.11 -0.24 0.44 -0.54 0.00 0.00 0.00 175.10 174.87 1wxm s LYS 11 N -0.78 4.25 -0.22 2.72 1.02 -1.25 0.06 119.74 125.54 1wxm s LYS 11 Ca -0.08 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.33 1wxm s LYS 11 Cb -0.05 -3.39 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1wxm s LYS 11 CO -0.00 0.27 -0.15 0.08 -0.92 0.00 0.00 175.35 174.63 1wxm s VAL 12 N 0.26 2.05 -0.27 3.17 1.01 0.14 -2.74 120.40 124.02 1wxm s VAL 12 Ca 0.24 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1wxm s VAL 12 Cb -0.15 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1wxm s VAL 12 CO 0.10 0.25 1.00 -0.31 0.00 0.00 0.00 175.10 176.13 1wxm s TYR 13 N 1.23 3.26 0.49 5.22 2.02 0.55 0.36 117.35 130.48 1wxm s TYR 13 Ca -0.02 1.27 -0.04 0.00 -0.37 0.00 0.00 57.07 57.90 1wxm s TYR 13 Cb -0.16 -3.37 -0.02 0.00 -0.40 0.00 0.00 41.96 38.00 1wxm s TYR 13 CO -0.09 -0.57 0.78 -0.51 -1.57 0.00 0.00 175.55 173.59 1wxm s LEU 14 N 3.27 3.57 -0.73 -1.29 1.43 0.16 0.60 118.68 125.69 1wxm s LEU 14 Ca 0.42 0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 54.23 1wxm s LEU 14 Cb -0.14 -3.69 -0.12 0.00 0.03 0.00 0.00 46.19 42.27 1wxm s LEU 14 CO 0.10 -0.68 2.62 -0.81 0.23 0.00 0.00 176.35 177.81 1wxm n PRO 15 N -2.28 2.26 -1.03 1.29 -0.04 -0.65 -3.06 135.00 131.48 1wxm n PRO 15 Ca 0.01 -1.36 -0.07 0.00 -0.04 0.00 0.00 63.50 62.05 1wxm n PRO 15 Cb 0.56 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.41 -0.98 -1.14 3.54 5.15 -1.26 -4.95 115.26 119.03 1wxm n ASN 16 Ca 0.48 -1.93 -0.13 0.00 -0.60 0.00 0.00 54.58 52.40 1wxm n ASN 16 Cb 0.38 0.30 -0.06 0.00 -0.53 0.00 0.00 39.78 39.87 1wxm n ASN 16 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wxm n LYS 17 N -0.05 -1.54 -3.90 1.20 5.02 -1.17 -4.92 118.16 112.79 1wxm n LYS 17 Ca -0.27 0.90 -0.23 0.00 -2.02 0.00 0.00 58.31 56.69 1wxm n LYS 17 Cb 0.69 -5.20 -0.05 0.00 -0.02 0.00 0.00 35.03 30.44 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 -3.07 2.34 0.04 1.97 -1.52 -1.24 -4.98 119.66 113.20 1wxm s GLN 18 Ca 0.00 -1.74 -0.08 0.00 -1.95 0.00 0.00 55.36 51.59 1wxm s GLN 18 Cb 0.00 -2.14 0.00 0.00 -0.22 0.00 0.00 33.01 30.66 1wxm s GLN 18 CO 0.00 -0.17 0.17 -0.98 -0.25 0.00 0.00 175.29 174.06 1wxm s ARG 19 N -4.01 0.65 -0.02 2.91 3.03 -1.26 0.36 118.95 120.61 1wxm s ARG 19 Ca 0.43 -0.63 0.01 0.00 2.03 0.00 0.00 55.73 57.56 1wxm s ARG 19 Cb 0.01 0.27 0.02 0.00 -1.03 0.00 0.00 34.95 34.21 1wxm s ARG 19 CO 0.24 -0.18 -0.01 -0.08 -1.13 0.00 0.00 175.30 174.15 1wxm s THR 20 N -2.47 0.16 -0.04 4.99 -1.32 0.16 -4.90 115.64 112.22 1wxm s THR 20 Ca -0.06 0.02 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 1wxm s THR 20 Cb -0.02 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.72 1wxm s THR 20 CO -0.03 0.10 0.64 -0.69 -2.21 0.00 0.00 174.62 172.42 1wxm s VAL 21 N 0.57 4.98 0.12 5.08 1.01 -1.26 0.28 120.40 131.17 1wxm s VAL 21 Ca -0.05 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.32 1wxm s VAL 21 Cb -0.08 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1wxm s VAL 21 CO -0.01 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.55 1wxm s VAL 22 N 0.29 1.66 0.29 2.92 1.01 0.11 -4.91 120.40 121.77 1wxm s VAL 22 Ca 0.33 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 60.44 1wxm s VAL 22 Cb -0.18 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 1wxm s VAL 22 CO 0.17 -0.15 0.91 -0.89 0.00 0.00 0.00 175.10 175.14 1wxm s THR 23 N -1.43 4.24 -0.46 3.92 2.01 -1.26 0.30 115.64 122.95 1wxm s THR 23 Ca 0.08 1.80 -0.24 0.00 0.31 0.00 0.00 61.69 63.64 1wxm s THR 23 Cb -0.09 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.40 1wxm s THR 23 CO 0.05 0.23 0.83 -0.69 -0.69 0.00 0.00 174.62 174.35 1wxm s VAL 24 N -1.51 4.59 -0.15 3.82 1.01 -1.14 -4.87 120.40 122.14 1wxm s VAL 24 Ca 0.47 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 1wxm s VAL 24 Cb -0.20 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1wxm s VAL 24 CO 0.25 -0.77 -0.08 -0.13 0.00 0.00 0.00 175.10 174.37 1wxm s ARG 25 N 3.45 3.50 -1.30 2.72 0.52 -1.26 -4.99 118.95 121.58 1wxm s ARG 25 Ca 0.32 -0.61 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 1wxm s ARG 25 Cb -0.12 -2.80 0.13 0.00 0.52 0.00 0.00 34.95 32.68 1wxm s ARG 25 CO 0.23 0.16 1.83 -3.47 0.02 0.00 0.00 175.30 174.07 1wxm n ASP 26 N 3.73 4.85 0.00 0.23 -0.08 -1.26 -3.91 116.55 120.10 1wxm n ASP 26 Ca -0.18 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 1wxm n ASP 26 Cb 0.52 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wxm n GLY 27 N 3.72 -1.96 3.33 0.27 0.00 -1.26 -5.02 105.19 104.27 1wxm n GLY 27 Ca 0.43 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.83 1wxm n GLY 27 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wxm n MET 28 N -1.92 -1.92 -3.86 1.61 0.00 -1.26 -4.83 117.12 104.93 1wxm n MET 28 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 57.70 56.91 1wxm n MET 28 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 33.22 31.36 1wxm n MET 28 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1wxm s SER 29 N -2.01 4.68 0.19 3.17 1.04 -1.26 -2.88 113.70 116.63 1wxm s SER 29 Ca 0.60 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 1wxm s SER 29 Cb -0.16 0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.18 1wxm s SER 29 CO 0.66 -0.95 1.74 0.58 0.98 0.00 0.00 173.24 176.26 1wxm h VAL 30 N 0.89 1.24 0.46 5.02 2.07 -1.39 -0.86 116.25 123.69 1wxm h VAL 30 Ca -0.38 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1wxm h VAL 30 Cb 1.29 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1wxm h VAL 30 CO 0.59 0.31 -0.22 0.22 0.02 0.00 0.00 177.57 178.49 1wxm h TYR 31 N 0.96 -0.58 0.00 1.57 5.03 -1.73 1.16 116.97 123.39 1wxm h TYR 31 Ca 0.22 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1wxm h TYR 31 Cb 0.23 0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.70 1wxm h TYR 31 CO 0.02 -0.35 0.00 -0.44 -1.32 0.00 0.00 178.16 176.07 1wxm h ASP 32 N -0.63 0.00 0.00 -2.11 5.19 -1.83 1.57 116.42 118.60 1wxm h ASP 32 Ca -0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1wxm h ASP 32 Cb 0.48 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1wxm h ASP 32 CO 0.10 0.00 -0.38 0.28 -3.12 0.00 0.00 179.24 176.13 1wxm h SER 33 N 0.00 0.00 0.15 6.45 0.02 0.06 -3.35 113.55 116.88 1wxm h SER 33 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1wxm h SER 33 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1wxm h SER 33 CO 0.00 0.72 0.00 0.18 -1.14 0.00 0.00 176.83 176.59 1wxm n LEU 34 N -4.66 0.00 -0.07 5.07 7.99 0.39 -3.41 117.00 122.31 1wxm n LEU 34 Ca -0.06 0.10 -0.07 0.00 -0.01 0.00 0.00 56.01 55.97 1wxm n LEU 34 Cb 0.21 -0.10 -0.01 0.00 -0.11 0.00 0.00 43.42 43.41 1wxm n LEU 34 CO 0.08 -0.03 0.78 -0.78 -1.51 0.00 0.00 177.39 175.93 1wxm h ASP 35 N 0.00 -0.41 0.11 -1.43 3.58 0.21 0.45 116.42 118.93 1wxm h ASP 35 Ca 0.00 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1wxm h ASP 35 Cb 0.07 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1wxm h ASP 35 CO 0.00 -0.16 -0.05 0.50 -2.88 0.00 0.00 179.24 176.65 1wxm h LYS 36 N -0.08 -0.14 -1.52 0.28 3.64 -1.79 0.17 116.57 117.13 1wxm h LYS 36 Ca 0.14 0.01 0.48 0.00 -1.27 0.00 0.00 60.65 60.01 1wxm h LYS 36 Cb 0.29 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 1wxm h LYS 36 CO -0.33 0.34 1.04 0.00 -2.27 0.00 0.00 179.45 178.23 1wxm n ALA 37 N -2.60 1.49 -0.05 5.00 0.00 -1.12 0.18 120.51 123.41 1wxm n ALA 37 Ca -0.07 0.71 -0.02 0.00 0.00 0.00 0.00 53.44 54.06 1wxm n ALA 37 Cb 0.27 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1wxm n ALA 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wxm h LEU 38 N 0.00 0.00 -0.79 0.00 3.38 -0.88 -3.34 115.31 113.68 1wxm h LEU 38 Ca 0.84 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.94 1wxm h LEU 38 Cb 3.02 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 43.63 1wxm h LEU 38 CO -0.24 0.48 -0.33 0.11 0.09 0.00 0.00 178.44 178.55 1wxm h LYS 39 N -0.68 -0.07 -0.99 1.13 1.57 0.13 1.79 116.57 119.45 1wxm h LYS 39 Ca 0.00 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.13 1wxm h LYS 39 Cb 0.27 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 32.42 1wxm h LYS 39 CO 0.00 -0.05 0.33 -0.24 -0.57 0.00 0.00 179.45 178.92 1wxm h VAL 40 N -0.07 0.06 0.00 0.50 3.04 0.18 1.51 116.25 121.47 1wxm h VAL 40 Ca 0.31 -0.02 -0.20 0.00 -1.01 0.00 0.00 66.70 65.78 1wxm h VAL 40 Cb 0.58 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.83 1wxm h VAL 40 CO -0.83 0.01 -1.35 0.03 -1.01 0.00 0.00 177.57 174.42 1wxm h ARG 41 N 0.05 0.00 0.00 4.17 3.08 0.10 -3.48 114.38 118.30 1wxm h ARG 41 Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.77 1wxm h ARG 41 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.78 1wxm h ARG 41 CO -0.80 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 178.95 1wxm n GLY 42 N 1.42 1.14 3.75 0.04 0.00 0.52 -5.10 105.19 106.96 1wxm n GLY 42 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 1.82 0.38 0.99 1.43 -0.35 -4.86 118.68 118.09 1wxm s LEU 43 Ca 0.00 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1wxm s LEU 43 Cb 0.00 -3.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 1wxm s LEU 43 CO 0.00 -2.87 0.01 0.21 0.23 0.00 0.00 176.35 173.93 1wxm s ASN 44 N -3.97 3.49 -0.62 2.29 2.47 -1.26 -4.03 114.94 113.30 1wxm s ASN 44 Ca 0.66 -1.35 -0.01 0.00 0.42 0.00 0.00 52.86 52.57 1wxm s ASN 44 Cb -0.14 -0.32 0.45 0.00 -1.45 0.00 0.00 41.25 39.79 1wxm s ASN 44 CO 0.54 -0.46 2.02 0.00 -3.72 0.00 0.00 177.10 175.49 1wxm n GLN 45 N -0.88 2.58 0.00 0.43 3.00 -1.26 -3.76 117.38 117.50 1wxm n GLN 45 Ca -0.04 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.82 1wxm n GLN 45 Cb 0.66 -2.23 0.00 0.00 0.00 0.00 0.00 30.24 28.68 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 -0.84 0.00 -1.58 1.08 2.03 -1.26 -4.82 116.55 111.16 1wxm n ASP 46 Ca 0.60 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.89 1wxm n ASP 46 Cb 0.74 0.04 0.23 0.00 -0.72 0.00 0.00 41.12 41.42 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 -0.83 0.66 -0.14 0.00 0.11 0.13 -4.84 120.40 115.49 1wxm s VAL 49 Ca -0.09 -1.64 0.02 0.00 -2.93 0.00 0.00 61.98 57.35 1wxm s VAL 49 Cb -0.06 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.50 1wxm s VAL 49 CO -0.00 -0.69 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.18 1wxm s VAL 50 N -2.81 1.97 -0.12 2.04 1.01 -1.25 0.15 120.40 121.39 1wxm s VAL 50 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1wxm s VAL 50 Cb -0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1wxm s VAL 50 CO -0.03 0.53 0.05 -0.31 0.00 0.00 0.00 175.10 175.35 1wxm s TYR 51 N 0.84 3.29 0.03 5.22 2.02 0.12 0.12 117.35 129.00 1wxm s TYR 51 Ca -0.07 0.23 -0.09 0.00 -0.37 0.00 0.00 57.07 56.77 1wxm s TYR 51 Cb -0.15 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1wxm s TYR 51 CO -0.02 0.45 0.34 1.03 -1.57 0.00 0.00 175.55 175.78 1wxm s ARG 52 N -0.59 3.71 -0.66 -0.62 0.52 0.12 -0.10 118.95 121.33 1wxm s ARG 52 Ca 0.11 0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 55.21 1wxm s ARG 52 Cb -0.12 -3.08 0.08 0.00 0.52 0.00 0.00 34.95 32.36 1wxm s ARG 52 CO 0.02 0.63 0.93 -0.51 0.02 0.00 0.00 175.30 176.38 1wxm s LEU 53 N -1.66 4.61 -0.45 2.53 2.01 -0.73 0.11 118.68 125.10 1wxm s LEU 53 Ca 0.28 -1.13 0.04 0.00 0.01 0.00 0.00 54.13 53.33 1wxm s LEU 53 Cb -0.14 -2.40 0.12 0.00 0.01 0.00 0.00 46.19 43.78 1wxm s LEU 53 CO 0.16 -1.36 0.18 -0.63 1.01 0.00 0.00 176.35 175.71 1wxm s ILE 54 N 3.73 2.48 -1.30 -0.59 1.09 -1.10 -4.68 121.20 120.82 1wxm s ILE 54 Ca 0.21 -2.97 -0.03 0.00 -1.10 0.00 0.00 60.65 56.75 1wxm s ILE 54 Cb -0.18 -2.76 0.00 0.00 -1.06 0.00 0.00 42.46 38.47 1wxm s ILE 54 CO 0.08 -0.73 0.44 0.29 -0.10 0.00 0.00 174.94 174.93 1wxm n LYS 55 N 3.52 -3.72 -2.61 2.79 4.01 -1.26 -2.70 118.16 118.20 1wxm n LYS 55 Ca 0.05 0.76 -0.07 0.00 -0.51 0.00 0.00 58.31 58.54 1wxm n LYS 55 Cb 0.36 -5.28 0.04 0.00 -0.51 0.00 0.00 35.03 29.64 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 -1.34 0.14 2.79 0.72 0.00 -1.26 -5.05 105.19 101.19 1wxm n GLY 56 Ca -0.11 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 1wxm n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxm s ARG 57 N -4.63 0.21 -0.28 1.61 1.81 -1.10 -5.10 118.95 111.47 1wxm s ARG 57 Ca 0.02 0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 54.03 1wxm s ARG 57 Cb -0.01 -1.02 -0.07 0.00 -0.45 0.00 0.00 34.95 33.40 1wxm s ARG 57 CO 0.29 -0.63 2.25 1.63 -0.68 0.00 0.00 175.30 178.17 1wxm n LYS 58 N 5.33 1.67 -3.67 3.54 4.01 -1.24 -2.73 118.16 125.07 1wxm n LYS 58 Ca -0.05 0.42 -0.38 0.00 -0.51 0.00 0.00 58.31 57.78 1wxm n LYS 58 Cb 0.50 -3.12 -0.10 0.00 -0.51 0.00 0.00 35.03 31.79 1wxm n LYS 58 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1wxm s THR 59 N 8.72 3.74 0.24 -0.18 2.01 0.12 -4.75 115.64 125.53 1wxm s THR 59 Ca 1.02 -2.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.74 1wxm s THR 59 Cb -0.41 -3.50 -0.17 0.00 0.01 0.00 0.00 72.50 68.43 1wxm s THR 59 CO 0.36 -0.75 0.47 0.52 -0.69 0.00 0.00 174.62 174.53 1wxm n VAL 60 N 4.63 1.78 -4.98 3.82 0.31 -1.26 0.14 118.33 122.77 1wxm n VAL 60 Ca -0.04 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.52 1wxm n VAL 60 Cb 0.41 -0.04 -0.16 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.12 1.61 0.76 2.52 -1.32 0.33 -4.73 115.64 113.68 1wxm s THR 61 Ca 0.63 -0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 1wxm s THR 61 Cb -0.87 -1.35 0.05 0.00 -1.51 0.00 0.00 72.50 68.82 1wxm s THR 61 CO 0.57 0.46 1.09 0.00 -2.21 0.00 0.00 174.62 174.53 1wxm s ALA 62 N -0.30 2.29 0.09 11.08 0.00 -1.26 -4.37 121.76 129.29 1wxm s ALA 62 Ca 0.03 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.35 1wxm s ALA 62 Cb -0.09 -3.28 -0.22 0.00 0.00 0.00 0.00 23.12 19.52 1wxm s ALA 62 CO 0.01 -1.70 1.15 -1.49 0.00 0.00 0.00 175.76 173.73 1wxm h TRP 63 N -0.97 0.08 0.00 0.00 4.06 -1.97 -3.14 115.95 114.00 1wxm h TRP 63 Ca -0.44 -0.06 -0.04 0.00 2.06 0.00 0.00 58.89 60.41 1wxm h TRP 63 Cb 1.23 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 1wxm h TRP 63 CO 0.58 1.05 -0.21 0.22 -3.56 0.00 0.00 178.44 176.52 1wxm h ASP 64 N 0.01 0.00 -2.95 -3.49 3.58 -1.99 -2.90 116.42 108.69 1wxm h ASP 64 Ca -0.08 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.84 1wxm h ASP 64 Cb 1.84 0.00 0.22 0.00 1.72 0.00 0.00 39.33 43.11 1wxm h ASP 64 CO 0.13 0.21 -1.00 0.41 -2.88 0.00 0.00 179.24 176.12 1wxm n THR 65 N -3.56 0.00 -2.96 2.25 -1.04 -1.19 -4.75 114.28 103.04 1wxm n THR 65 Ca -0.01 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.53 1wxm n THR 65 Cb 0.36 -0.42 0.01 0.00 -1.82 0.00 0.00 70.33 68.46 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 -2.27 4.34 -1.13 2.41 0.00 -1.26 -1.45 121.76 122.40 1wxm s ALA 66 Ca 0.51 -1.56 0.11 0.00 0.00 0.00 0.00 51.96 51.02 1wxm s ALA 66 Cb -0.20 -1.75 0.22 0.00 0.00 0.00 0.00 23.12 21.39 1wxm s ALA 66 CO 0.73 -0.37 1.10 1.51 0.00 0.00 0.00 175.76 178.73 1wxm n ILE 67 N -1.95 0.61 -0.03 0.00 0.13 -1.14 -4.30 119.36 112.68 1wxm n ILE 67 Ca 0.07 -0.80 -0.11 0.00 -1.10 0.00 0.00 62.75 60.81 1wxm n ILE 67 Cb 0.59 0.79 -0.09 0.00 -0.84 0.00 0.00 39.64 40.09 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 2.12 -0.06 0.00 1.51 0.00 -1.78 -3.35 119.26 117.71 1wxm h ALA 68 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 54.91 54.16 1wxm h ALA 68 Cb 0.63 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wxm h ALA 68 CO 0.00 -0.11 2.44 -0.35 0.00 0.00 0.00 179.25 181.23 1wxm n PRO 69 N -4.74 2.51 0.06 0.00 -0.04 -1.26 -3.38 135.00 128.15 1wxm n PRO 69 Ca -0.08 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1wxm n PRO 69 Cb 0.32 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 3.65 0.01 0.00 1.53 7.99 -1.26 -5.04 117.00 123.87 1wxm n LEU 70 Ca 0.54 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.73 1wxm n LEU 70 Cb 0.29 0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1wxm n LEU 70 CO 0.64 -0.58 0.00 -0.67 -1.51 0.00 0.00 177.39 175.27 1wxm n ASP 71 N -2.96 0.00 -4.26 -1.43 2.03 -1.22 -4.04 116.55 104.67 1wxm n ASP 71 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 1wxm n ASP 71 Cb 0.04 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.30 1wxm n ASP 71 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wxm s GLY 72 N 0.00 1.53 0.00 0.27 0.00 -1.26 -4.65 107.32 103.21 1wxm s GLY 72 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1wxm s GLY 72 CO 0.00 0.30 0.00 -1.84 0.00 0.00 0.00 173.10 171.56 1wxm n GLU 73 N 4.58 -0.90 -3.84 2.90 -0.00 -1.26 -5.15 120.64 116.97 1wxm n GLU 73 Ca -0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 56.85 1wxm n GLU 73 Cb 0.51 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.82 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 -0.14 0.13 -0.01 3.44 2.02 -1.26 -3.94 118.70 118.92 1wxm s GLU 74 Ca 0.00 0.13 0.06 0.00 0.02 0.00 0.00 54.97 55.18 1wxm s GLU 74 Cb 0.00 0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 1wxm s GLU 74 CO 0.00 -0.02 -0.19 -0.51 0.02 0.00 0.00 175.26 174.57 1wxm s LEU 75 N 0.03 2.04 -0.28 1.80 1.43 -1.11 -1.78 118.68 120.81 1wxm s LEU 75 Ca -0.00 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1wxm s LEU 75 Cb -0.01 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1wxm s LEU 75 CO 0.00 0.23 0.03 -0.63 0.23 0.00 0.00 176.35 176.20 1wxm s ILE 76 N -0.44 3.48 -0.45 -0.59 1.01 0.86 -0.33 121.20 124.74 1wxm s ILE 76 Ca 0.07 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 1wxm s ILE 76 Cb -0.07 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1wxm s ILE 76 CO -0.01 0.08 0.53 -0.69 0.00 0.00 0.00 174.94 174.85 1wxm s VAL 77 N 1.41 4.99 0.29 2.92 1.01 0.20 0.16 120.40 131.37 1wxm s VAL 77 Ca 0.01 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1wxm s VAL 77 Cb -0.17 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wxm s VAL 77 CO -0.00 -0.58 0.10 -1.61 0.00 0.00 0.00 175.10 173.01 1wxm s GLU 78 N 2.37 2.49 -0.27 2.72 0.41 0.12 -1.64 118.70 124.90 1wxm s GLU 78 Ca 0.14 -1.36 -0.06 0.00 -0.41 0.00 0.00 54.97 53.28 1wxm s GLU 78 Cb -0.18 -2.28 -0.00 0.00 -1.78 0.00 0.00 34.13 29.90 1wxm s GLU 78 CO 0.14 0.29 0.04 0.54 -0.49 0.00 0.00 175.26 175.78 1wxm s VAL 79 N -2.30 3.86 0.07 2.63 0.11 -1.26 0.18 120.40 123.67 1wxm s VAL 79 Ca 0.34 -0.56 -0.31 0.00 -2.93 0.00 0.00 61.98 58.53 1wxm s VAL 79 Cb -0.06 -2.90 -0.08 0.00 -1.53 0.00 0.00 36.38 31.82 1wxm s VAL 79 CO 0.22 0.21 1.57 -0.76 -3.33 0.00 0.00 175.10 173.02 1wxm s LEU 80 N 1.51 4.35 -0.15 2.54 1.43 0.51 -4.91 118.68 123.96 1wxm s LEU 80 Ca 0.04 2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.25 1wxm s LEU 80 Cb -0.16 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.59 1wxm s LEU 80 CO 0.01 -0.83 0.86 -0.55 0.23 0.00 0.00 176.35 176.07 1wxm s SER 81 N 2.07 -0.53 0.77 2.29 0.15 -1.26 -4.78 113.70 112.42 1wxm s SER 81 Ca 0.71 0.69 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1wxm s SER 81 Cb -0.38 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wxm s SER 81 CO 0.31 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1wxm n GLY 82 N 1.20 0.58 3.55 9.45 0.00 -1.26 -4.14 105.19 114.57 1wxm n GLY 82 Ca -0.14 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1wxm n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxm s PRO 83 N 0.00 3.00 -0.30 1.61 0.04 -1.26 -4.85 135.00 133.24 1wxm s PRO 83 Ca 0.00 -0.27 -0.03 0.00 0.04 0.00 0.00 61.00 60.75 1wxm s PRO 83 Cb 0.00 -4.74 0.19 0.00 0.04 0.00 0.00 34.50 29.98 1wxm s PRO 83 CO 0.00 -2.61 0.72 0.45 0.04 0.00 0.00 177.00 175.60 1wxm s SER 84 N 6.17 -1.18 -0.09 6.66 0.15 -1.26 -5.16 113.70 119.00 1wxm s SER 84 Ca 0.54 0.58 -0.04 0.00 0.70 0.00 0.00 55.95 57.73 1wxm s SER 84 Cb -0.07 1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 66.13 1wxm s SER 84 CO 0.06 -0.22 0.09 -0.94 1.20 0.00 0.00 173.24 173.43 1wxm s SER 85 N 2.88 5.91 0.00 5.45 1.04 -1.26 -4.73 113.70 122.99 1wxm s SER 85 Ca 0.15 0.32 0.16 0.00 0.48 0.00 0.00 55.95 57.05 1wxm s SER 85 Cb -0.12 -1.81 0.13 0.00 0.10 0.00 0.00 66.02 64.31 1wxm s SER 85 CO -0.20 0.38 1.00 0.61 0.98 0.00 0.00 173.24 176.01