#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 6.55 0.24 1.61 0.01 -1.26 -4.74 113.70 116.10 1wxm s SER 2 Ca 0.00 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1wxm s SER 2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1wxm s SER 2 CO 0.00 -1.00 0.00 -0.24 0.41 0.00 0.00 173.24 172.41 1wxm n SER 3 N 7.32 -0.01 -0.03 2.44 2.88 -1.26 -5.02 113.62 119.94 1wxm n SER 3 Ca 0.19 0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 58.10 1wxm n SER 3 Cb 0.42 0.29 -0.01 0.00 -0.75 0.00 0.00 64.21 64.15 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 1.76 -0.56 5.00 0.46 0.00 -1.26 -4.94 105.19 105.64 1wxm n GLY 4 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1wxm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wxm n SER 5 N -3.27 0.00 -1.36 1.61 2.88 -1.26 -4.88 113.62 107.34 1wxm n SER 5 Ca -0.05 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.67 1wxm n SER 5 Cb 0.18 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 1wxm n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wxm n SER 6 N 2.62 -8.16 -3.79 -3.46 7.64 -1.26 -4.78 113.62 102.43 1wxm n SER 6 Ca 0.00 0.98 -0.23 0.00 1.01 0.00 0.00 58.87 60.63 1wxm n SER 6 Cb 0.00 -4.40 0.15 0.00 -1.01 0.00 0.00 64.21 58.95 1wxm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxm n GLY 7 N -4.21 -2.55 2.38 0.23 0.00 -1.26 -4.73 105.19 95.05 1wxm n GLY 7 Ca -0.04 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 2.37 4.34 3.60 -0.02 0.00 -1.26 -4.82 105.19 109.40 1wxm n GLY 8 Ca 0.04 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 2.08 0.00 0.01 2.61 -4.23 -1.26 -2.84 115.64 112.00 1wxm s THR 9 Ca 0.66 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1wxm s THR 9 Cb 0.17 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1wxm s THR 9 CO -0.07 0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.29 1wxm s VAL 10 N -3.77 0.23 -0.12 2.29 1.01 0.15 -4.67 120.40 115.52 1wxm s VAL 10 Ca 0.23 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 1wxm s VAL 10 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1wxm s VAL 10 CO 0.11 -0.12 0.81 -0.54 0.00 0.00 0.00 175.10 175.36 1wxm s LYS 11 N -0.56 4.37 -0.27 2.72 1.02 -1.26 0.01 119.74 125.77 1wxm s LYS 11 Ca -0.04 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.96 1wxm s LYS 11 Cb -0.04 -3.52 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1wxm s LYS 11 CO -0.00 -0.18 -0.04 0.08 -0.92 0.00 0.00 175.35 174.29 1wxm s VAL 12 N 1.62 2.88 -0.34 3.17 1.01 0.15 -3.10 120.40 125.78 1wxm s VAL 12 Ca 0.40 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 1wxm s VAL 12 Cb -0.17 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1wxm s VAL 12 CO 0.16 0.04 0.98 -0.31 0.00 0.00 0.00 175.10 175.97 1wxm s TYR 13 N 1.28 3.12 0.59 5.22 2.02 -0.15 0.21 117.35 129.64 1wxm s TYR 13 Ca -0.03 0.96 -0.06 0.00 -0.37 0.00 0.00 57.07 57.57 1wxm s TYR 13 Cb -0.18 -3.63 0.01 0.00 -0.40 0.00 0.00 41.96 37.75 1wxm s TYR 13 CO -0.03 -0.78 0.90 -0.51 -1.57 0.00 0.00 175.55 173.56 1wxm s LEU 14 N 3.51 3.24 0.00 -1.29 1.43 0.14 0.68 118.68 126.40 1wxm s LEU 14 Ca 0.41 0.73 0.23 0.00 -1.03 0.00 0.00 54.13 54.46 1wxm s LEU 14 Cb -0.12 -3.56 1.17 0.00 0.03 0.00 0.00 46.19 43.70 1wxm s LEU 14 CO 0.17 -1.05 1.74 -0.81 0.23 0.00 0.00 176.35 176.63 1wxm n PRO 15 N -2.58 0.36 -0.88 1.29 -0.04 -0.47 -3.06 135.00 129.61 1wxm n PRO 15 Ca 0.04 0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1wxm n PRO 15 Cb 0.57 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.26 4.95 -1.70 3.54 5.15 -1.26 -4.80 115.26 119.88 1wxm n ASN 16 Ca 0.11 -3.12 -0.10 0.00 -0.60 0.00 0.00 54.58 50.88 1wxm n ASN 16 Cb 0.17 -0.86 -0.03 0.00 -0.53 0.00 0.00 39.78 38.54 1wxm n ASN 16 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1wxm n LYS 17 N -0.29 -1.63 -4.54 1.20 2.85 -1.17 -4.88 118.16 109.69 1wxm n LYS 17 Ca 0.38 0.53 -0.31 0.00 -1.05 0.00 0.00 58.31 57.87 1wxm n LYS 17 Cb 0.95 -4.85 -0.06 0.00 -0.65 0.00 0.00 35.03 30.41 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 -3.61 2.19 0.01 -1.58 -1.52 -1.24 -4.98 119.66 108.94 1wxm s GLN 18 Ca 0.00 -2.27 -0.08 0.00 -1.95 0.00 0.00 55.36 51.06 1wxm s GLN 18 Cb 0.00 -1.68 0.00 0.00 -0.22 0.00 0.00 33.01 31.11 1wxm s GLN 18 CO 0.00 -0.38 0.15 -0.98 -0.25 0.00 0.00 175.29 173.83 1wxm s ARG 19 N -3.95 0.54 -0.02 2.91 3.03 -1.26 0.29 118.95 120.49 1wxm s ARG 19 Ca 0.16 -0.47 -0.00 0.00 2.03 0.00 0.00 55.73 57.44 1wxm s ARG 19 Cb 0.02 0.22 0.02 0.00 -1.03 0.00 0.00 34.95 34.18 1wxm s ARG 19 CO 0.09 -0.13 0.03 -0.08 -1.13 0.00 0.00 175.30 174.08 1wxm s THR 20 N -1.72 -0.04 -0.19 4.99 -1.32 0.13 -4.93 115.64 112.57 1wxm s THR 20 Ca -0.12 0.16 -0.23 0.00 -1.21 0.00 0.00 61.69 60.29 1wxm s THR 20 Cb -0.06 -0.08 -0.02 0.00 -1.51 0.00 0.00 72.50 70.84 1wxm s THR 20 CO 0.00 0.06 0.71 -0.69 -2.21 0.00 0.00 174.62 172.50 1wxm s VAL 21 N 0.78 4.96 0.27 5.08 1.01 -1.26 0.30 120.40 131.55 1wxm s VAL 21 Ca -0.06 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.37 1wxm s VAL 21 Cb -0.09 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1wxm s VAL 21 CO -0.02 0.07 0.08 -0.69 0.00 0.00 0.00 175.10 174.53 1wxm s VAL 22 N 2.03 3.70 0.35 2.92 1.01 0.10 -4.86 120.40 125.66 1wxm s VAL 22 Ca 0.33 -1.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.37 1wxm s VAL 22 Cb -0.16 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1wxm s VAL 22 CO 0.11 -0.34 0.87 -0.89 0.00 0.00 0.00 175.10 174.85 1wxm s THR 23 N -2.28 4.44 -0.42 3.92 2.01 -1.26 0.33 115.64 122.38 1wxm s THR 23 Ca 0.33 1.41 -0.16 0.00 0.31 0.00 0.00 61.69 63.58 1wxm s THR 23 Cb -0.06 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1wxm s THR 23 CO 0.22 -0.12 0.35 -0.69 -0.69 0.00 0.00 174.62 173.69 1wxm s VAL 24 N -1.93 5.20 0.26 3.82 1.01 -1.13 -4.80 120.40 122.83 1wxm s VAL 24 Ca 0.55 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.07 1wxm s VAL 24 Cb -0.12 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1wxm s VAL 24 CO 0.17 -0.36 -0.09 -0.13 0.00 0.00 0.00 175.10 174.68 1wxm s ARG 25 N 1.84 2.02 -0.75 2.72 0.52 -1.26 -4.94 118.95 119.09 1wxm s ARG 25 Ca 0.07 -1.52 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 1wxm s ARG 25 Cb -0.19 -2.01 0.18 0.00 0.52 0.00 0.00 34.95 33.46 1wxm s ARG 25 CO 0.11 0.36 0.58 0.34 0.02 0.00 0.00 175.30 176.71 1wxm s ASP 26 N -3.46 5.28 0.00 0.23 -1.08 -1.26 -3.88 116.67 112.50 1wxm s ASP 26 Ca 0.30 -3.63 0.00 0.00 -0.52 0.00 0.00 52.55 48.70 1wxm s ASP 26 Cb -0.06 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1wxm s ASP 26 CO 0.17 -0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.31 1wxm n GLY 27 N 2.37 -0.98 3.28 2.66 0.00 -1.26 -5.05 105.19 106.21 1wxm n GLY 27 Ca 0.18 0.44 -0.32 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.60 -1.61 1.61 0.00 -1.26 -4.78 117.12 109.48 1wxm n MET 28 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 57.70 57.20 1wxm n MET 28 Cb 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 33.22 31.54 1wxm n MET 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1wxm n SER 29 N -1.66 0.70 0.07 3.17 3.41 -1.26 -2.58 113.62 115.46 1wxm n SER 29 Ca 0.01 -1.40 -0.10 0.00 -0.26 0.00 0.00 58.87 57.11 1wxm n SER 29 Cb 0.62 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.12 1.62 0.56 -3.33 2.07 -1.35 -2.95 116.25 112.99 1wxm h VAL 30 Ca -0.07 -3.29 -0.03 0.00 0.82 0.00 0.00 66.70 64.13 1wxm h VAL 30 Cb 0.31 2.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1wxm h VAL 30 CO 0.10 0.94 -0.27 0.22 0.02 0.00 0.00 177.57 178.58 1wxm h TYR 31 N 0.02 -0.70 0.00 1.57 5.03 -1.72 1.04 116.97 122.21 1wxm h TYR 31 Ca -0.06 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1wxm h TYR 31 Cb 1.84 0.23 0.00 0.00 1.55 0.00 0.00 36.73 40.35 1wxm h TYR 31 CO 0.02 -0.37 0.00 -0.44 -1.32 0.00 0.00 178.16 176.05 1wxm h ASP 32 N -0.98 0.00 0.00 -2.11 3.32 -1.85 1.57 116.42 116.36 1wxm h ASP 32 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1wxm h ASP 32 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1wxm h ASP 32 CO 0.13 0.00 -0.16 0.28 -1.72 0.00 0.00 179.24 177.76 1wxm h SER 33 N 0.00 0.00 0.42 6.45 0.02 -1.26 -3.34 113.55 115.84 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 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wxm h SER 33 CO 0.00 0.48 0.00 0.18 -1.14 0.00 0.00 176.83 176.35 1wxm n LEU 34 N -4.16 0.00 0.00 5.07 7.99 0.36 -3.73 117.00 122.52 1wxm n LEU 34 Ca -0.02 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 1wxm n LEU 34 Cb 0.08 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 1wxm n LEU 34 CO 0.03 -0.19 0.42 -0.67 -1.51 0.00 0.00 177.39 175.48 1wxm n ASP 35 N -1.40 0.00 -0.10 -1.43 -0.08 0.53 -0.81 116.55 113.26 1wxm n ASP 35 Ca 0.06 0.84 -0.06 0.00 -1.51 0.00 0.00 54.79 54.12 1wxm n ASP 35 Cb 0.16 -0.34 0.01 0.00 2.34 0.00 0.00 41.12 43.28 1wxm n ASP 35 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1wxm h LYS 36 N 0.00 -0.02 -1.91 -0.67 3.64 -1.78 0.35 116.57 116.18 1wxm h LYS 36 Ca 0.00 0.00 0.56 0.00 -1.27 0.00 0.00 60.65 59.95 1wxm h LYS 36 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 1wxm h LYS 36 CO 0.00 -0.01 1.36 0.00 -2.27 0.00 0.00 179.45 178.53 1wxm n ALA 37 N -2.66 1.84 -0.08 5.00 0.00 -0.88 0.11 120.51 123.82 1wxm n ALA 37 Ca 0.01 0.69 -0.09 0.00 0.00 0.00 0.00 53.44 54.05 1wxm n ALA 37 Cb 0.21 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1wxm n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wxm n LEU 38 N -4.03 1.84 -0.32 0.00 4.77 0.95 -4.32 117.00 115.89 1wxm n LEU 38 Ca 0.44 0.55 0.08 0.00 -0.03 0.00 0.00 56.01 57.06 1wxm n LEU 38 Cb 1.97 -0.88 0.19 0.00 -2.33 0.00 0.00 43.42 42.37 1wxm n LEU 38 CO 0.41 -0.27 0.75 0.11 -1.33 0.00 0.00 177.39 177.07 1wxm h LYS 39 N -1.00 0.03 -1.37 3.23 1.79 0.20 1.78 116.57 121.22 1wxm h LYS 39 Ca -0.10 -0.00 0.47 0.00 -2.18 0.00 0.00 60.65 58.84 1wxm h LYS 39 Cb 0.76 -0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.27 1wxm h LYS 39 CO -0.06 0.02 0.89 1.55 -1.08 0.00 0.00 179.45 180.77 1wxm n VAL 40 N -5.50 -0.22 -0.06 0.50 3.14 0.29 0.91 118.33 117.40 1wxm n VAL 40 Ca 0.17 1.70 -0.04 0.00 -2.96 0.00 0.00 64.34 63.21 1wxm n VAL 40 Cb 0.56 -2.79 -0.11 0.00 -1.06 0.00 0.00 33.84 30.45 1wxm n VAL 40 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wxm n ARG 41 N -4.55 1.48 0.00 1.45 1.74 0.51 -5.00 116.66 112.28 1wxm n ARG 41 Ca 0.39 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1wxm n ARG 41 Cb 1.54 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 1wxm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxm n GLY 42 N 2.04 1.17 3.52 -0.13 0.00 0.41 -5.10 105.19 107.11 1wxm n GLY 42 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 1.19 0.32 0.99 1.43 -0.83 -4.84 118.68 116.94 1wxm s LEU 43 Ca 0.00 1.65 0.09 0.00 -1.03 0.00 0.00 54.13 54.84 1wxm s LEU 43 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1wxm s LEU 43 CO 0.00 -4.04 0.04 0.21 0.23 0.00 0.00 176.35 172.79 1wxm s ASN 44 N -2.53 4.38 -0.68 2.29 2.47 -1.26 -4.33 114.94 115.28 1wxm s ASN 44 Ca 0.68 -0.86 -0.02 0.00 0.42 0.00 0.00 52.86 53.09 1wxm s ASN 44 Cb -0.25 -0.64 0.43 0.00 -1.45 0.00 0.00 41.25 39.34 1wxm s ASN 44 CO 0.63 -0.20 1.99 0.00 -3.72 0.00 0.00 177.10 175.81 1wxm n GLN 45 N -0.99 2.75 0.00 0.43 3.00 -1.26 -3.88 117.38 117.44 1wxm n GLN 45 Ca -0.04 -3.38 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1wxm n GLN 45 Cb 0.61 -2.29 0.00 0.00 0.00 0.00 0.00 30.24 28.57 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 -1.47 1.08 2.03 -1.26 -4.83 116.55 111.26 1wxm n ASP 46 Ca 0.60 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1wxm n ASP 46 Cb 0.60 0.10 0.23 0.00 -0.72 0.00 0.00 41.12 41.33 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 -0.87 1.21 -0.10 0.00 0.11 0.13 -4.86 120.40 116.02 1wxm s VAL 49 Ca -0.10 -2.07 0.01 0.00 -2.93 0.00 0.00 61.98 56.90 1wxm s VAL 49 Cb -0.06 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.60 1wxm s VAL 49 CO -0.00 -0.45 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.52 1wxm s VAL 50 N -3.31 1.14 -0.07 2.04 1.01 -1.25 0.15 120.40 120.11 1wxm s VAL 50 Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1wxm s VAL 50 Cb 0.04 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1wxm s VAL 50 CO 0.07 0.37 0.08 -0.31 0.00 0.00 0.00 175.10 175.31 1wxm s TYR 51 N 1.22 3.36 0.04 5.22 2.02 0.10 -0.27 117.35 129.04 1wxm s TYR 51 Ca -0.04 0.31 0.08 0.00 -0.37 0.00 0.00 57.07 57.05 1wxm s TYR 51 Cb -0.14 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1wxm s TYR 51 CO -0.03 0.59 -0.20 1.03 -1.57 0.00 0.00 175.55 175.36 1wxm s ARG 52 N -1.25 1.98 -0.80 -0.62 0.52 0.14 0.14 118.95 119.06 1wxm s ARG 52 Ca 0.18 -1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 54.14 1wxm s ARG 52 Cb -0.12 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.31 1wxm s ARG 52 CO 0.07 0.53 1.11 -0.51 0.02 0.00 0.00 175.30 176.52 1wxm s LEU 53 N -1.40 4.34 0.00 2.53 2.01 -1.24 0.17 118.68 125.09 1wxm s LEU 53 Ca 0.14 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 52.97 1wxm s LEU 53 Cb -0.10 -2.45 0.00 0.00 0.01 0.00 0.00 46.19 43.65 1wxm s LEU 53 CO 0.04 -1.38 0.00 -0.38 1.01 0.00 0.00 176.35 175.64 1wxm n ILE 54 N 5.97 0.00 -2.51 -0.59 -0.00 -1.23 -4.72 119.36 116.29 1wxm n ILE 54 Ca 0.10 0.48 -0.28 0.00 -0.00 0.00 0.00 62.75 63.06 1wxm n ILE 54 Cb 0.48 -1.47 -0.00 0.00 -0.00 0.00 0.00 39.64 38.64 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 -2.28 3.39 -2.38 0.38 4.01 -1.26 -4.85 118.16 115.17 1wxm n LYS 55 Ca 0.00 -4.51 -0.14 0.00 -0.51 0.00 0.00 58.31 53.15 1wxm n LYS 55 Cb 0.00 -2.25 0.00 0.00 -0.51 0.00 0.00 35.03 32.27 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 -0.45 -0.20 3.07 0.72 0.00 -1.26 -5.00 105.19 102.07 1wxm n GLY 56 Ca 0.39 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.85 0.25 -0.25 1.61 1.70 -1.26 -5.10 118.95 111.04 1wxm s ARG 57 Ca 0.05 0.21 -0.28 0.00 -0.47 0.00 0.00 55.73 55.23 1wxm s ARG 57 Cb -0.02 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1wxm s ARG 57 CO 0.06 -0.03 2.08 0.15 -1.08 0.00 0.00 175.30 176.47 1wxm s LYS 58 N -0.03 3.20 -0.40 3.89 1.02 -1.26 -3.47 119.74 122.69 1wxm s LYS 58 Ca -0.01 1.83 -0.07 0.00 0.02 0.00 0.00 55.97 57.74 1wxm s LYS 58 Cb -0.02 -4.31 0.08 0.00 -0.52 0.00 0.00 37.83 33.06 1wxm s LYS 58 CO 0.00 -2.02 0.22 0.99 -0.92 0.00 0.00 175.35 173.62 1wxm s THR 59 N 7.84 3.90 0.65 2.17 2.01 0.13 -4.78 115.64 127.55 1wxm s THR 59 Ca 0.94 -1.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 1wxm s THR 59 Cb -0.30 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.72 1wxm s THR 59 CO 0.35 -0.49 0.32 0.52 -0.69 0.00 0.00 174.62 174.63 1wxm n VAL 60 N 4.82 1.51 -4.27 3.82 0.31 -1.26 0.24 118.33 123.50 1wxm n VAL 60 Ca -0.09 -0.46 -0.15 0.00 -0.01 0.00 0.00 64.34 63.63 1wxm n VAL 60 Cb 0.43 -0.54 -0.10 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.87 1.31 0.43 2.52 -1.32 0.63 -4.73 115.64 112.61 1wxm s THR 61 Ca 0.63 -2.08 -0.05 0.00 -1.21 0.00 0.00 61.69 58.98 1wxm s THR 61 Cb -0.40 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1wxm s THR 61 CO 0.60 -0.70 0.73 0.00 -2.21 0.00 0.00 174.62 173.04 1wxm s ALA 62 N -3.19 3.46 -0.06 11.08 0.00 -1.26 -4.59 121.76 127.20 1wxm s ALA 62 Ca 0.18 -0.52 0.13 0.00 0.00 0.00 0.00 51.96 51.74 1wxm s ALA 62 Cb 0.01 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.53 1wxm s ALA 62 CO 0.02 -0.19 1.15 -1.49 0.00 0.00 0.00 175.76 175.25 1wxm h TRP 63 N 0.60 0.00 0.00 0.00 4.06 -1.98 -3.24 115.95 115.39 1wxm h TRP 63 Ca -0.47 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.29 1wxm h TRP 63 Cb 1.20 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.35 1wxm h TRP 63 CO 0.58 0.71 -0.84 -0.44 -3.56 0.00 0.00 178.44 174.88 1wxm h ASP 64 N 0.00 0.18 -2.07 -3.49 3.32 -1.97 -2.63 116.42 109.75 1wxm h ASP 64 Ca -0.08 -0.14 -0.53 0.00 0.02 0.00 0.00 57.03 56.30 1wxm h ASP 64 Cb 1.61 -0.05 0.24 0.00 0.22 0.00 0.00 39.33 41.35 1wxm h ASP 64 CO 0.08 0.94 -1.77 0.41 -1.72 0.00 0.00 179.24 177.18 1wxm n THR 65 N -3.64 0.00 -2.96 0.35 -1.04 -1.22 -4.62 114.28 101.14 1wxm n THR 65 Ca -0.03 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.05 61.40 1wxm n THR 65 Cb 0.79 -0.14 0.01 0.00 -1.82 0.00 0.00 70.33 69.17 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 -2.08 3.68 -1.32 2.41 0.00 -1.26 -1.59 121.76 121.60 1wxm s ALA 66 Ca 0.43 -0.96 0.18 0.00 0.00 0.00 0.00 51.96 51.61 1wxm s ALA 66 Cb -0.13 -2.21 0.60 0.00 0.00 0.00 0.00 23.12 21.38 1wxm s ALA 66 CO 0.77 -0.36 1.51 1.51 0.00 0.00 0.00 175.76 179.18 1wxm n ILE 67 N -2.09 1.39 -0.05 0.00 0.13 -1.07 -4.43 119.36 113.24 1wxm n ILE 67 Ca 0.01 -1.13 -0.04 0.00 -1.10 0.00 0.00 62.75 60.48 1wxm n ILE 67 Cb 0.57 0.32 -0.04 0.00 -0.84 0.00 0.00 39.64 39.65 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 3.57 -0.02 0.00 1.51 0.00 -1.80 -3.36 119.26 119.16 1wxm h ALA 68 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 1wxm h ALA 68 Cb 1.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1wxm h ALA 68 CO 0.10 -0.02 0.96 -0.35 0.00 0.00 0.00 179.25 179.94 1wxm n PRO 69 N -4.74 1.94 0.00 0.00 -0.04 -1.26 -2.91 135.00 127.99 1wxm n PRO 69 Ca -0.03 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1wxm n PRO 69 Cb 0.15 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.07 0.00 -2.14 1.53 7.99 -1.26 -5.07 117.00 121.12 1wxm n LEU 70 Ca 0.41 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 56.13 1wxm n LEU 70 Cb 0.51 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.79 1wxm n LEU 70 CO 0.36 -0.17 0.32 -0.67 -1.51 0.00 0.00 177.39 175.73 1wxm n ASP 71 N -1.83 0.11 -1.43 -1.43 2.03 -1.14 -2.63 116.55 110.22 1wxm n ASP 71 Ca 0.00 0.55 -0.01 0.00 0.52 0.00 0.00 54.79 55.85 1wxm n ASP 71 Cb 0.00 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 0.94 0.65 0.00 0.27 0.00 -1.26 -5.07 105.19 100.72 1wxm n GLY 72 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.45 0.00 -3.50 1.61 -0.00 -1.08 -5.10 120.64 111.13 1wxm n GLU 73 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.02 1wxm n GLU 73 Cb 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.84 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 -0.73 0.24 0.02 3.44 2.02 -1.26 -4.23 118.70 118.19 1wxm s GLU 74 Ca 0.00 0.50 -0.08 0.00 0.02 0.00 0.00 54.97 55.41 1wxm s GLU 74 Cb 0.00 -0.58 -0.05 0.00 0.10 0.00 0.00 34.13 33.60 1wxm s GLU 74 CO 0.00 -0.53 0.30 -0.51 0.02 0.00 0.00 175.26 174.54 1wxm s LEU 75 N 2.44 4.37 -0.28 1.80 1.02 -1.18 -3.59 118.68 123.26 1wxm s LEU 75 Ca 0.07 0.64 0.01 0.00 0.02 0.00 0.00 54.13 54.87 1wxm s LEU 75 Cb -0.14 -2.71 0.06 0.00 0.02 0.00 0.00 46.19 43.41 1wxm s LEU 75 CO -0.12 0.25 -0.05 -0.63 0.02 0.00 0.00 176.35 175.81 1wxm s ILE 76 N -1.29 2.58 -0.39 -0.59 1.01 0.12 -0.97 121.20 121.66 1wxm s ILE 76 Ca 0.28 -1.55 -0.20 0.00 0.00 0.00 0.00 60.65 59.18 1wxm s ILE 76 Cb -0.14 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1wxm s ILE 76 CO 0.16 -0.09 0.62 -0.69 0.00 0.00 0.00 174.94 174.93 1wxm s VAL 77 N 1.17 4.88 0.29 2.92 1.01 0.22 0.03 120.40 130.91 1wxm s VAL 77 Ca -0.06 0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.36 1wxm s VAL 77 Cb -0.20 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1wxm s VAL 77 CO -0.03 -0.42 -0.06 -1.61 0.00 0.00 0.00 175.10 172.97 1wxm s GLU 78 N 2.71 2.05 -0.20 2.72 2.02 0.12 -1.37 118.70 126.74 1wxm s GLU 78 Ca 0.23 -1.61 -0.05 0.00 0.02 0.00 0.00 54.97 53.56 1wxm s GLU 78 Cb -0.14 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1wxm s GLU 78 CO 0.16 0.30 0.01 0.54 0.02 0.00 0.00 175.26 176.29 1wxm s VAL 79 N -2.43 4.01 0.03 2.63 0.11 -1.26 0.19 120.40 123.68 1wxm s VAL 79 Ca 0.32 -0.29 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 1wxm s VAL 79 Cb -0.05 -2.82 -0.12 0.00 -1.53 0.00 0.00 36.38 31.86 1wxm s VAL 79 CO 0.18 0.42 1.29 -0.07 -3.33 0.00 0.00 175.10 173.60 1wxm h LEU 80 N 7.54 -0.68 -9.03 2.54 3.38 0.11 -3.40 115.31 115.77 1wxm h LEU 80 Ca -0.36 0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.07 1wxm h LEU 80 Cb 1.18 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1wxm h LEU 80 CO 0.61 -0.48 1.03 -0.55 0.09 0.00 0.00 178.44 179.14 1wxm s SER 81 N -3.29 6.60 0.41 -0.43 0.15 -1.24 -4.99 113.70 110.92 1wxm s SER 81 Ca -0.12 1.48 -0.24 0.00 0.70 0.00 0.00 55.95 57.77 1wxm s SER 81 Cb 0.01 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 1wxm s SER 81 CO 0.35 -1.10 1.13 -0.83 1.20 0.00 0.00 173.24 173.99 1wxm s GLY 82 N 3.25 2.81 -0.47 9.45 0.00 -1.26 -4.95 107.32 116.15 1wxm s GLY 82 Ca 0.63 0.87 -0.28 0.00 0.00 0.00 0.00 44.72 45.93 1wxm s GLY 82 CO 0.25 1.34 1.44 2.56 0.00 0.00 0.00 173.10 178.68 1wxm s PRO 83 N -2.44 3.45 -0.19 2.90 0.04 -1.26 -4.96 135.00 132.54 1wxm s PRO 83 Ca 0.58 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 1wxm s PRO 83 Cb -0.27 -4.07 0.05 0.00 0.04 0.00 0.00 34.50 30.25 1wxm s PRO 83 CO 0.34 -1.74 0.55 -1.12 0.04 0.00 0.00 177.00 175.07 1wxm s SER 84 N 4.30 -0.56 -0.30 6.66 0.01 -1.26 -5.13 113.70 117.42 1wxm s SER 84 Ca 0.59 1.05 -0.09 0.00 1.31 0.00 0.00 55.95 58.81 1wxm s SER 84 Cb -0.13 1.06 0.19 0.00 0.21 0.00 0.00 66.02 67.35 1wxm s SER 84 CO 0.30 -0.22 0.99 -0.55 0.41 0.00 0.00 173.24 174.16 1wxm s SER 85 N 0.15 -0.58 0.00 2.44 0.15 -1.26 -5.27 113.70 109.33 1wxm s SER 85 Ca -0.01 0.09 0.26 0.00 0.70 0.00 0.00 55.95 56.98 1wxm s SER 85 Cb -0.04 1.38 0.52 0.00 -1.71 0.00 0.00 66.02 66.17 1wxm s SER 85 CO 0.01 -0.11 1.45 0.61 1.20 0.00 0.00 173.24 176.41