#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 6.28 0.14 1.61 1.04 -1.26 -4.98 113.70 116.53 1wxm s SER 2 Ca 0.00 1.71 0.01 0.00 0.48 0.00 0.00 55.95 58.15 1wxm s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1wxm s SER 2 CO 0.00 -1.32 0.30 -0.44 0.98 0.00 0.00 173.24 172.76 1wxm s SER 3 N 4.69 6.36 0.00 7.02 0.01 -1.26 -3.86 113.70 126.66 1wxm s SER 3 Ca 0.76 0.27 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1wxm s SER 3 Cb -0.27 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1wxm s SER 3 CO 0.31 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1wxm n GLY 4 N -0.38 0.50 0.47 3.44 0.00 -1.26 -4.83 105.19 103.14 1wxm n GLY 4 Ca -0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 1wxm n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wxm h SER 5 N 0.00 -1.15 -2.49 1.61 0.87 -1.99 -3.44 113.55 106.96 1wxm h SER 5 Ca 0.00 0.07 -0.62 0.00 -1.23 0.00 0.00 61.79 60.02 1wxm h SER 5 Cb 0.00 0.35 -0.15 0.00 -0.44 0.00 0.00 62.40 62.16 1wxm h SER 5 CO 0.00 -0.67 -0.76 -0.44 -0.53 0.00 0.00 176.83 174.43 1wxm s SER 6 N -4.30 3.71 0.00 6.23 0.01 -1.26 -4.79 113.70 113.29 1wxm s SER 6 Ca -0.18 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1wxm s SER 6 Cb 0.04 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1wxm s SER 6 CO 0.61 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1wxm n GLY 7 N -0.40 0.29 0.73 3.44 0.00 -1.25 -4.17 105.19 103.83 1wxm n GLY 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 4.62 -0.05 3.71 -0.02 0.00 -1.26 -4.24 105.19 107.94 1wxm n GLY 8 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.37 0.00 0.02 2.61 -4.23 -1.26 -3.19 115.64 108.22 1wxm s THR 9 Ca 0.00 -0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1wxm s THR 9 Cb 0.00 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1wxm s THR 9 CO 0.00 -0.02 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.34 1wxm s VAL 10 N -3.91 0.10 -0.12 2.29 1.01 0.15 -4.72 120.40 115.20 1wxm s VAL 10 Ca 0.11 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1wxm s VAL 10 Cb -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1wxm s VAL 10 CO 0.03 -0.45 0.49 -0.54 0.00 0.00 0.00 175.10 174.64 1wxm s LYS 11 N -1.32 4.34 -0.26 2.72 1.02 -1.26 -0.00 119.74 124.97 1wxm s LYS 11 Ca -0.14 0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.31 1wxm s LYS 11 Cb -0.09 -3.45 0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1wxm s LYS 11 CO -0.01 0.13 -0.06 0.08 -0.92 0.00 0.00 175.35 174.57 1wxm s VAL 12 N 0.71 2.72 -0.32 3.17 1.01 0.14 -3.11 120.40 124.71 1wxm s VAL 12 Ca 0.26 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 1wxm s VAL 12 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1wxm s VAL 12 CO 0.11 0.07 0.90 -0.31 0.00 0.00 0.00 175.10 175.86 1wxm s TYR 13 N 1.25 3.17 0.44 5.22 2.02 -0.64 0.25 117.35 129.06 1wxm s TYR 13 Ca -0.03 0.92 -0.05 0.00 -0.37 0.00 0.00 57.07 57.54 1wxm s TYR 13 Cb -0.18 -3.43 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 1wxm s TYR 13 CO -0.04 -0.67 0.73 -0.51 -1.57 0.00 0.00 175.55 173.49 1wxm s LEU 14 N 3.25 3.74 -1.10 -1.29 1.43 0.15 0.47 118.68 125.34 1wxm s LEU 14 Ca 0.37 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 1wxm s LEU 14 Cb -0.13 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 1wxm s LEU 14 CO 0.14 -0.49 2.06 -0.81 0.23 0.00 0.00 176.35 177.49 1wxm n PRO 15 N -2.00 2.15 0.00 1.29 -0.04 -0.98 -3.60 135.00 131.82 1wxm n PRO 15 Ca -0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1wxm n PRO 15 Cb 0.55 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 6.98 0.00 -2.54 3.54 2.85 -1.26 -4.93 115.26 119.90 1wxm n ASN 16 Ca 0.51 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.94 1wxm n ASN 16 Cb 0.40 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.41 1wxm n ASN 16 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1wxm n LYS 17 N 0.00 -2.69 -4.42 1.20 2.85 -1.24 -4.84 118.16 109.01 1wxm n LYS 17 Ca 0.00 0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 57.03 1wxm n LYS 17 Cb 0.00 -4.23 -0.09 0.00 -0.65 0.00 0.00 35.03 30.06 1wxm n LYS 17 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1wxm s GLN 18 N -4.87 1.84 -0.00 -1.58 -0.21 -1.24 -5.02 119.66 108.59 1wxm s GLN 18 Ca 0.07 -1.68 -0.12 0.00 0.02 0.00 0.00 55.36 53.66 1wxm s GLN 18 Cb -0.04 -1.87 0.01 0.00 1.00 0.00 0.00 33.01 32.11 1wxm s GLN 18 CO 0.08 0.34 0.24 -0.98 -2.12 0.00 0.00 175.29 172.85 1wxm s ARG 19 N -3.55 0.61 -0.03 2.91 3.03 -1.26 0.35 118.95 121.01 1wxm s ARG 19 Ca 0.30 -0.32 -0.01 0.00 2.03 0.00 0.00 55.73 57.73 1wxm s ARG 19 Cb -0.05 0.26 0.02 0.00 -1.03 0.00 0.00 34.95 34.15 1wxm s ARG 19 CO 0.16 -0.16 0.06 -0.08 -1.13 0.00 0.00 175.30 174.15 1wxm s THR 20 N -1.50 -0.03 -0.00 4.99 -1.32 0.14 -4.93 115.64 112.99 1wxm s THR 20 Ca -0.13 0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.24 1wxm s THR 20 Cb -0.06 -0.11 -0.05 0.00 -1.51 0.00 0.00 72.50 70.78 1wxm s THR 20 CO 0.02 0.05 0.70 -0.69 -2.21 0.00 0.00 174.62 172.49 1wxm s VAL 21 N 0.68 4.87 0.23 5.08 1.01 -1.26 0.29 120.40 131.29 1wxm s VAL 21 Ca -0.05 1.46 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1wxm s VAL 21 Cb -0.08 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1wxm s VAL 21 CO -0.02 0.35 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 1wxm s VAL 22 N 0.14 1.92 0.59 2.92 1.01 1.00 -4.91 120.40 123.06 1wxm s VAL 22 Ca 0.36 -2.26 -0.14 0.00 0.00 0.00 0.00 61.98 59.94 1wxm s VAL 22 Cb -0.19 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1wxm s VAL 22 CO 0.20 -0.54 1.03 -0.89 0.00 0.00 0.00 175.10 174.90 1wxm s THR 23 N -2.86 4.26 -0.42 3.92 2.01 -1.26 0.31 115.64 121.60 1wxm s THR 23 Ca 0.25 0.95 -0.17 0.00 0.31 0.00 0.00 61.69 63.03 1wxm s THR 23 Cb -0.02 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1wxm s THR 23 CO 0.09 -0.75 0.41 -0.69 -0.69 0.00 0.00 174.62 172.98 1wxm s VAL 24 N -2.76 5.13 0.08 3.82 1.01 -1.19 -4.71 120.40 121.77 1wxm s VAL 24 Ca 0.59 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1wxm s VAL 24 Cb -0.13 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1wxm s VAL 24 CO 0.42 -0.42 0.01 -0.13 0.00 0.00 0.00 175.10 174.98 1wxm s ARG 25 N 2.01 2.61 -0.69 2.72 1.81 -1.26 -4.89 118.95 121.26 1wxm s ARG 25 Ca 0.10 -0.80 0.05 0.00 -1.72 0.00 0.00 55.73 53.36 1wxm s ARG 25 Cb -0.18 -2.57 0.17 0.00 -0.45 0.00 0.00 34.95 31.92 1wxm s ARG 25 CO 0.12 0.55 0.50 -0.40 -0.68 0.00 0.00 175.30 175.40 1wxm n ASP 26 N 0.66 2.89 0.00 0.23 5.75 -1.26 -3.73 116.55 121.09 1wxm n ASP 26 Ca -0.11 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 1wxm n ASP 26 Cb 0.52 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wxm n GLY 27 N 1.95 -0.78 3.45 6.12 0.00 -1.26 -4.99 105.19 109.68 1wxm n GLY 27 Ca 0.21 0.39 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -0.74 -2.25 1.61 0.00 -1.26 -4.71 117.12 109.78 1wxm n MET 28 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 57.70 57.26 1wxm n MET 28 Cb 0.00 -1.96 0.15 0.00 0.00 0.00 0.00 33.22 31.41 1wxm n MET 28 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1wxm s SER 29 N -2.14 3.72 0.15 3.17 0.01 -1.26 -2.18 113.70 115.17 1wxm s SER 29 Ca 0.60 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.84 1wxm s SER 29 Cb -0.20 -0.18 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 1wxm s SER 29 CO 0.65 -2.31 1.33 0.58 0.41 0.00 0.00 173.24 173.90 1wxm h VAL 30 N -1.10 1.52 0.63 3.43 2.07 -1.33 -2.86 116.25 118.60 1wxm h VAL 30 Ca -0.41 -2.76 -0.03 0.00 0.82 0.00 0.00 66.70 64.32 1wxm h VAL 30 Cb 1.25 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1wxm h VAL 30 CO 0.39 0.80 -0.32 0.22 0.02 0.00 0.00 177.57 178.68 1wxm h TYR 31 N 0.10 -0.85 0.00 1.57 5.03 -1.77 1.26 116.97 122.31 1wxm h TYR 31 Ca -0.05 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.23 1wxm h TYR 31 Cb 1.60 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 40.17 1wxm h TYR 31 CO 0.03 -0.52 -0.03 -0.44 -1.32 0.00 0.00 178.16 175.88 1wxm h ASP 32 N -0.88 0.00 0.10 -2.11 5.19 -1.88 1.62 116.42 118.46 1wxm h ASP 32 Ca -0.08 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1wxm h ASP 32 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1wxm h ASP 32 CO 0.13 0.03 -0.05 0.28 -3.12 0.00 0.00 179.24 176.51 1wxm h SER 33 N 0.00 -0.11 0.22 6.45 0.02 -1.09 -3.28 113.55 115.76 1wxm h SER 33 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wxm h SER 33 Cb 0.10 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1wxm h SER 33 CO 0.00 0.36 0.00 0.18 -1.14 0.00 0.00 176.83 176.24 1wxm n LEU 34 N -4.78 0.00 -0.03 5.07 7.99 0.43 -3.45 117.00 122.22 1wxm n LEU 34 Ca -0.02 0.15 -0.09 0.00 -0.01 0.00 0.00 56.01 56.05 1wxm n LEU 34 Cb 0.05 -0.15 -0.02 0.00 -0.11 0.00 0.00 43.42 43.19 1wxm n LEU 34 CO 0.04 -0.04 0.70 -0.78 -1.51 0.00 0.00 177.39 175.80 1wxm h ASP 35 N 0.00 -0.74 0.47 -1.43 3.58 0.23 -0.01 116.42 118.53 1wxm h ASP 35 Ca 0.00 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1wxm h ASP 35 Cb 0.11 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1wxm h ASP 35 CO 0.00 -0.27 -0.23 0.50 -2.88 0.00 0.00 179.24 176.36 1wxm h LYS 36 N -0.25 -0.61 -1.58 0.28 3.64 -1.75 0.63 116.57 116.93 1wxm h LYS 36 Ca 0.13 0.04 0.49 0.00 -1.27 0.00 0.00 60.65 60.04 1wxm h LYS 36 Cb 0.45 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 1wxm h LYS 36 CO -0.36 -0.31 1.09 0.00 -2.27 0.00 0.00 179.45 177.61 1wxm n ALA 37 N -2.55 1.53 -0.05 5.00 0.00 -1.03 0.10 120.51 123.52 1wxm n ALA 37 Ca -0.11 0.69 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 1wxm n ALA 37 Cb 0.31 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.98 0.00 3.38 -0.63 -3.37 115.31 113.72 1wxm h LEU 38 Ca 0.84 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.97 1wxm h LEU 38 Cb 3.10 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 43.69 1wxm h LEU 38 CO -0.20 0.57 -0.36 0.29 0.09 0.00 0.00 178.44 178.83 1wxm n LYS 39 N -4.09 -0.21 -0.32 1.13 5.02 0.22 0.20 118.16 120.10 1wxm n LYS 39 Ca -0.05 1.51 0.17 0.00 -2.02 0.00 0.00 58.31 57.91 1wxm n LYS 39 Cb 0.19 -2.24 0.33 0.00 -0.02 0.00 0.00 35.03 33.29 1wxm n LYS 39 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1wxm n VAL 40 N -5.46 -0.40 0.02 -0.18 3.14 0.29 0.18 118.33 115.92 1wxm n VAL 40 Ca 0.11 2.06 -0.03 0.00 -2.96 0.00 0.00 64.34 63.52 1wxm n VAL 40 Cb 0.41 -3.07 -0.10 0.00 -1.06 0.00 0.00 33.84 30.02 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 0.00 0.00 1.45 3.08 0.18 -3.48 114.38 115.61 1wxm h ARG 41 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 1wxm h ARG 41 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1wxm h ARG 41 CO -0.87 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 178.86 1wxm n GLY 42 N 1.44 1.10 3.44 0.04 0.00 0.53 -5.09 105.19 106.65 1wxm n GLY 42 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.15 0.14 0.99 1.43 -0.74 -4.85 118.68 115.50 1wxm s LEU 43 Ca 0.00 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 1wxm s LEU 43 Cb 0.00 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1wxm s LEU 43 CO 0.00 -4.72 -0.12 0.21 0.23 0.00 0.00 176.35 171.95 1wxm s ASN 44 N -3.41 1.88 -0.42 2.29 2.47 -1.26 -4.30 114.94 112.18 1wxm s ASN 44 Ca 0.69 -0.93 -0.01 0.00 0.42 0.00 0.00 52.86 53.03 1wxm s ASN 44 Cb -0.13 -0.04 0.27 0.00 -1.45 0.00 0.00 41.25 39.90 1wxm s ASN 44 CO 0.58 -0.25 2.07 0.00 -3.72 0.00 0.00 177.10 175.78 1wxm n GLN 45 N 0.10 2.08 0.00 0.43 3.00 -1.26 -3.56 117.38 118.17 1wxm n GLN 45 Ca -0.12 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.79 1wxm n GLN 45 Cb 0.59 -1.83 0.00 0.00 0.00 0.00 0.00 30.24 29.00 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 0.05 -0.00 -2.12 1.08 -0.08 -1.26 -4.82 116.55 109.40 1wxm n ASP 46 Ca 0.40 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.46 1wxm n ASP 46 Cb 0.59 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.21 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wxm s VAL 49 N -1.91 0.54 -0.09 0.00 0.11 0.14 -4.73 120.40 114.45 1wxm s VAL 49 Ca -0.12 -1.49 0.04 0.00 -2.93 0.00 0.00 61.98 57.48 1wxm s VAL 49 Cb -0.06 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1wxm s VAL 49 CO -0.02 -0.65 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.19 1wxm s VAL 50 N -2.55 1.87 -0.02 2.04 1.01 -1.26 0.05 120.40 121.54 1wxm s VAL 50 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1wxm s VAL 50 Cb -0.02 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1wxm s VAL 50 CO -0.03 0.52 -0.03 -0.31 0.00 0.00 0.00 175.10 175.25 1wxm s TYR 51 N 0.43 3.00 -0.02 5.22 2.02 0.11 0.05 117.35 128.16 1wxm s TYR 51 Ca -0.18 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1wxm s TYR 51 Cb -0.17 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1wxm s TYR 51 CO 0.07 0.41 -0.16 1.03 -1.57 0.00 0.00 175.55 175.33 1wxm s ARG 52 N -1.29 2.36 -0.74 -0.62 0.52 0.15 0.15 118.95 119.48 1wxm s ARG 52 Ca 0.17 -0.79 -0.20 0.00 -0.52 0.00 0.00 55.73 54.38 1wxm s ARG 52 Cb -0.11 -2.30 0.10 0.00 0.52 0.00 0.00 34.95 33.16 1wxm s ARG 52 CO 0.07 0.60 0.95 -0.51 0.02 0.00 0.00 175.30 176.42 1wxm s LEU 53 N -0.92 4.92 0.00 2.53 2.01 -1.21 -0.06 118.68 125.95 1wxm s LEU 53 Ca 0.12 -1.49 0.00 0.00 0.01 0.00 0.00 54.13 52.77 1wxm s LEU 53 Cb -0.11 -2.38 0.00 0.00 0.01 0.00 0.00 46.19 43.72 1wxm s LEU 53 CO 0.02 -1.21 0.00 -0.38 1.01 0.00 0.00 176.35 175.78 1wxm n ILE 54 N 5.63 0.00 -1.55 -0.59 -0.00 -1.25 -4.69 119.36 116.91 1wxm n ILE 54 Ca 0.04 0.37 -0.27 0.00 -0.00 0.00 0.00 62.75 62.89 1wxm n ILE 54 Cb 0.46 -1.35 0.09 0.00 -0.00 0.00 0.00 39.64 38.83 1wxm n ILE 54 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1wxm n LYS 55 N -2.19 2.83 -2.35 0.38 4.01 -1.26 -4.84 118.16 114.74 1wxm n LYS 55 Ca 0.00 -3.53 -0.07 0.00 -0.51 0.00 0.00 58.31 54.21 1wxm n LYS 55 Cb 0.00 -2.22 0.01 0.00 -0.51 0.00 0.00 35.03 32.31 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 -0.90 0.21 2.96 0.72 0.00 -1.26 -5.04 105.19 101.88 1wxm n GLY 56 Ca 0.53 -0.54 -0.11 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 -4.66 0.18 -0.62 1.61 1.70 -1.26 -5.08 118.95 110.82 1wxm s ARG 57 Ca 0.06 -0.21 -0.26 0.00 -0.47 0.00 0.00 55.73 54.85 1wxm s ARG 57 Cb -0.03 0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1wxm s ARG 57 CO 0.07 -0.03 2.13 0.15 -1.08 0.00 0.00 175.30 176.54 1wxm s LYS 58 N -0.61 2.31 -0.63 3.89 3.01 -1.26 -3.76 119.74 122.69 1wxm s LYS 58 Ca -0.07 0.80 -0.17 0.00 -1.01 0.00 0.00 55.97 55.52 1wxm s LYS 58 Cb -0.04 -4.58 0.14 0.00 -1.01 0.00 0.00 37.83 32.34 1wxm s LYS 58 CO -0.00 -3.19 0.66 0.99 0.51 0.00 0.00 175.35 174.32 1wxm s THR 59 N 10.95 5.11 0.84 2.17 2.01 0.91 -4.75 115.64 132.88 1wxm s THR 59 Ca 0.81 -1.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1wxm s THR 59 Cb -0.14 -4.44 -0.10 0.00 0.01 0.00 0.00 72.50 67.83 1wxm s THR 59 CO 0.19 -1.03 -0.22 0.52 -0.69 0.00 0.00 174.62 173.39 1wxm n VAL 60 N 5.15 0.33 -4.08 3.82 0.31 -1.26 0.34 118.33 122.94 1wxm n VAL 60 Ca -0.05 -0.43 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 1wxm n VAL 60 Cb 0.43 -0.24 -0.10 0.00 -0.91 0.00 0.00 33.84 33.01 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 -2.05 0.36 0.60 2.52 -1.32 0.11 -4.67 115.64 111.19 1wxm s THR 61 Ca 0.51 -1.50 -0.08 0.00 -1.21 0.00 0.00 61.69 59.41 1wxm s THR 61 Cb -0.28 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.60 1wxm s THR 61 CO 0.72 -0.74 0.94 0.00 -2.21 0.00 0.00 174.62 173.33 1wxm s ALA 62 N -2.82 3.19 -0.14 11.08 0.00 -1.26 -4.49 121.76 127.32 1wxm s ALA 62 Ca -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1wxm s ALA 62 Cb -0.00 -2.80 -0.25 0.00 0.00 0.00 0.00 23.12 20.08 1wxm s ALA 62 CO -0.05 -0.74 0.39 -1.49 0.00 0.00 0.00 175.76 173.87 1wxm h TRP 63 N -0.22 0.34 0.00 0.00 4.06 -1.97 -3.32 115.95 114.84 1wxm h TRP 63 Ca -0.45 -0.25 -0.00 0.00 2.06 0.00 0.00 58.89 60.25 1wxm h TRP 63 Cb 1.23 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1wxm h TRP 63 CO 0.55 1.63 -0.01 -0.44 -3.56 0.00 0.00 178.44 176.61 1wxm h ASP 64 N -0.35 0.00 -1.93 -3.49 3.32 -1.98 -2.88 116.42 109.11 1wxm h ASP 64 Ca -0.36 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.24 1wxm h ASP 64 Cb 1.74 0.00 0.24 0.00 0.22 0.00 0.00 39.33 41.52 1wxm h ASP 64 CO -0.00 0.01 -1.49 0.41 -1.72 0.00 0.00 179.24 176.45 1wxm n THR 65 N -3.87 0.00 -2.91 0.35 -1.04 -1.25 -4.69 114.28 100.87 1wxm n THR 65 Ca -0.03 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.05 61.59 1wxm n THR 65 Cb 0.09 -0.44 0.02 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.16 4.30 -1.47 2.41 0.00 -1.26 -1.96 121.76 121.62 1wxm s ALA 66 Ca 0.50 -1.54 0.15 0.00 0.00 0.00 0.00 51.96 51.07 1wxm s ALA 66 Cb -0.05 -1.79 0.37 0.00 0.00 0.00 0.00 23.12 21.64 1wxm s ALA 66 CO 0.64 -0.42 1.28 1.51 0.00 0.00 0.00 175.76 178.77 1wxm n ILE 67 N -2.01 0.77 0.09 0.00 0.13 -0.92 -4.38 119.36 113.05 1wxm n ILE 67 Ca 0.08 -0.89 -0.11 0.00 -1.10 0.00 0.00 62.75 60.73 1wxm n ILE 67 Cb 0.59 0.69 -0.07 0.00 -0.84 0.00 0.00 39.64 40.01 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 2.93 -0.31 0.00 1.51 0.00 -1.80 -3.32 119.26 118.27 1wxm h ALA 68 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 54.91 54.32 1wxm h ALA 68 Cb 0.79 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wxm h ALA 68 CO 0.00 -0.37 2.16 -0.35 0.00 0.00 0.00 179.25 180.69 1wxm n PRO 69 N -4.99 2.39 0.00 0.00 -0.04 -1.26 -3.05 135.00 128.05 1wxm n PRO 69 Ca -0.08 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1wxm n PRO 69 Cb 0.25 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.55 0.00 -2.15 1.53 7.99 -1.25 -5.08 117.00 121.60 1wxm n LEU 70 Ca 0.51 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 56.21 1wxm n LEU 70 Cb 0.33 0.01 -0.04 0.00 -0.11 0.00 0.00 43.42 43.60 1wxm n LEU 70 CO 0.59 -0.22 0.50 -0.67 -1.51 0.00 0.00 177.39 176.08 1wxm n ASP 71 N -1.93 0.50 -1.38 -1.43 2.03 -1.17 -2.21 116.55 110.96 1wxm n ASP 71 Ca 0.00 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1wxm n ASP 71 Cb 0.00 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 1wxm n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wxm n GLY 72 N 1.71 0.84 0.00 0.27 0.00 -1.26 -4.90 105.19 101.84 1wxm n GLY 72 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.38 0.00 -3.53 1.61 -0.00 -0.94 -5.14 120.64 111.26 1wxm n GLU 73 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.02 1wxm n GLU 73 Cb 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.81 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 -1.78 0.22 -0.04 3.44 2.02 -1.26 -4.29 118.70 117.01 1wxm s GLU 74 Ca 0.00 0.50 -0.13 0.00 0.02 0.00 0.00 54.97 55.37 1wxm s GLU 74 Cb 0.00 -0.57 -0.05 0.00 0.10 0.00 0.00 34.13 33.61 1wxm s GLU 74 CO 0.00 -0.51 0.33 -0.51 0.02 0.00 0.00 175.26 174.60 1wxm s LEU 75 N 2.42 4.44 -0.27 1.80 1.43 -1.18 -3.32 118.68 124.00 1wxm s LEU 75 Ca 0.06 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1wxm s LEU 75 Cb -0.14 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.67 1wxm s LEU 75 CO -0.12 0.33 -0.04 -0.63 0.23 0.00 0.00 176.35 176.13 1wxm s ILE 76 N -0.97 2.95 -0.10 -0.59 1.01 0.12 -1.63 121.20 121.99 1wxm s ILE 76 Ca 0.21 -1.14 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 1wxm s ILE 76 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1wxm s ILE 76 CO 0.10 0.09 0.49 -0.69 0.00 0.00 0.00 174.94 174.93 1wxm s VAL 77 N 1.30 5.15 0.23 2.92 1.01 0.18 0.06 120.40 131.26 1wxm s VAL 77 Ca -0.02 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1wxm s VAL 77 Cb -0.18 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1wxm s VAL 77 CO -0.03 0.34 0.20 -1.61 0.00 0.00 0.00 175.10 174.00 1wxm s GLU 78 N 0.47 1.36 -0.18 2.72 0.41 0.11 -2.32 118.70 121.27 1wxm s GLU 78 Ca 0.27 -1.67 -0.09 0.00 -0.41 0.00 0.00 54.97 53.07 1wxm s GLU 78 Cb -0.16 0.30 -0.05 0.00 -1.78 0.00 0.00 34.13 32.45 1wxm s GLU 78 CO 0.11 -0.47 0.12 0.08 -0.49 0.00 0.00 175.26 174.61 1wxm s VAL 79 N -3.98 5.33 -0.03 2.63 1.01 -1.26 0.24 120.40 124.34 1wxm s VAL 79 Ca 0.38 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1wxm s VAL 79 Cb 0.05 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1wxm s VAL 79 CO 0.15 0.48 0.39 -0.07 0.00 0.00 0.00 175.10 176.05 1wxm h LEU 80 N 6.31 -0.20 -8.64 3.92 3.38 -0.50 -3.38 115.31 116.20 1wxm h LEU 80 Ca -0.43 0.01 -0.58 0.00 0.09 0.00 0.00 57.88 56.96 1wxm h LEU 80 Cb 1.17 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1wxm h LEU 80 CO 0.71 0.07 0.76 -0.55 0.09 0.00 0.00 178.44 179.52 1wxm s SER 81 N -4.09 6.50 0.00 -0.43 0.15 -1.25 -4.34 113.70 110.24 1wxm s SER 81 Ca -0.03 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1wxm s SER 81 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1wxm s SER 81 CO 0.10 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 173.93 1wxm n GLY 82 N 4.97 0.56 3.66 9.45 0.00 -1.26 -5.04 105.19 117.52 1wxm n GLY 82 Ca 0.08 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 4.17 0.23 1.61 0.04 -1.26 -4.96 135.00 134.83 1wxm s PRO 83 Ca 0.00 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1wxm s PRO 83 Cb 0.00 -3.79 -0.15 0.00 0.04 0.00 0.00 34.50 30.60 1wxm s PRO 83 CO 0.00 -0.78 1.08 0.45 0.04 0.00 0.00 177.00 177.78 1wxm n SER 84 N 6.82 1.26 -0.02 6.66 2.88 -1.26 -4.85 113.62 125.11 1wxm n SER 84 Ca 0.14 1.16 -0.03 0.00 -1.33 0.00 0.00 58.87 58.81 1wxm n SER 84 Cb 0.45 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.64 1wxm n SER 84 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wxm h SER 85 N 2.70 -0.07 -0.00 -3.46 4.64 -1.93 -3.53 113.55 111.90 1wxm h SER 85 Ca -0.41 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1wxm h SER 85 Cb 1.34 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1wxm h SER 85 CO 0.66 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.71