#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 1.34 -3.08 1.61 2.88 -1.26 -4.87 113.62 110.23 1wxm n SER 2 Ca 0.00 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.55 1wxm n SER 2 Cb 0.00 -0.94 -0.01 0.00 -0.75 0.00 0.00 64.21 62.51 1wxm n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wxm s SER 3 N 3.93 -1.33 -1.32 -3.46 0.01 -1.26 -5.06 113.70 105.20 1wxm s SER 3 Ca 1.07 -1.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.02 1wxm s SER 3 Cb -1.41 1.84 0.03 0.00 0.21 0.00 0.00 66.02 66.69 1wxm s SER 3 CO 0.75 -0.14 2.00 0.61 0.41 0.00 0.00 173.24 176.87 1wxm n GLY 4 N 3.93 3.36 2.85 3.44 0.00 -1.26 -4.87 105.19 112.65 1wxm n GLY 4 Ca 0.13 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 3.94 0.88 -0.09 1.61 0.15 -1.26 -5.13 113.70 113.81 1wxm s SER 5 Ca 0.52 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.07 1wxm s SER 5 Cb 0.09 -0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1wxm s SER 5 CO 0.01 -0.09 -0.01 -0.44 1.20 0.00 0.00 173.24 173.91 1wxm s SER 6 N 1.10 1.78 0.00 5.45 0.01 -1.26 -5.09 113.70 115.69 1wxm s SER 6 Ca -0.08 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1wxm s SER 6 Cb -0.14 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1wxm s SER 6 CO -0.01 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1wxm n GLY 7 N 5.11 3.45 2.64 3.44 0.00 -1.26 -5.07 105.19 113.50 1wxm n GLY 7 Ca -0.08 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 5.17 3.68 -0.02 0.00 -1.26 -4.95 105.19 107.81 1wxm n GLY 8 Ca 0.00 -2.78 -0.09 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.31 0.00 0.00 2.61 -4.23 -1.26 -3.45 115.64 106.01 1wxm s THR 9 Ca 0.43 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1wxm s THR 9 Cb 0.20 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 1wxm s THR 9 CO -0.06 0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.38 1wxm s VAL 10 N -3.61 0.08 -0.16 2.29 1.01 0.14 -4.67 120.40 115.49 1wxm s VAL 10 Ca 0.20 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1wxm s VAL 10 Cb -0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1wxm s VAL 10 CO 0.10 -0.35 0.26 -0.54 0.00 0.00 0.00 175.10 174.58 1wxm s LYS 11 N -1.10 4.18 -0.19 2.72 1.02 -1.26 0.04 119.74 125.16 1wxm s LYS 11 Ca -0.12 0.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 1wxm s LYS 11 Cb -0.07 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1wxm s LYS 11 CO 0.00 0.30 -0.13 0.08 -0.92 0.00 0.00 175.35 174.68 1wxm s VAL 12 N 0.29 2.70 -0.39 3.17 1.01 0.15 -3.07 120.40 124.25 1wxm s VAL 12 Ca 0.15 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1wxm s VAL 12 Cb -0.13 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1wxm s VAL 12 CO 0.03 0.49 0.49 -0.31 0.00 0.00 0.00 175.10 175.80 1wxm s TYR 13 N 1.23 3.16 0.56 5.22 2.02 -0.56 0.17 117.35 129.15 1wxm s TYR 13 Ca 0.03 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1wxm s TYR 13 Cb -0.14 -2.95 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1wxm s TYR 13 CO -0.06 -0.64 0.88 -0.51 -1.57 0.00 0.00 175.55 173.65 1wxm s LEU 14 N 2.32 3.35 0.00 -1.29 1.43 0.14 0.60 118.68 125.23 1wxm s LEU 14 Ca 0.16 0.88 0.23 0.00 -1.03 0.00 0.00 54.13 54.36 1wxm s LEU 14 Cb -0.16 -3.77 1.10 0.00 0.03 0.00 0.00 46.19 43.39 1wxm s LEU 14 CO 0.14 -0.89 1.73 -0.81 0.23 0.00 0.00 176.35 176.75 1wxm n PRO 15 N -2.51 0.24 -0.97 1.29 -0.04 -0.57 -3.26 135.00 129.18 1wxm n PRO 15 Ca 0.03 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1wxm n PRO 15 Cb 0.56 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.34 6.64 -2.26 3.54 2.85 -1.26 -4.78 115.26 118.65 1wxm n ASN 16 Ca 0.09 -3.19 -0.03 0.00 -0.11 0.00 0.00 54.58 51.34 1wxm n ASN 16 Cb 0.20 -1.04 -0.00 0.00 1.24 0.00 0.00 39.78 40.18 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 0.11 -2.52 -4.55 1.20 5.02 -1.20 -4.86 118.16 111.36 1wxm n LYS 17 Ca 0.36 0.16 -0.26 0.00 -2.02 0.00 0.00 58.31 56.56 1wxm n LYS 17 Cb 0.60 -4.62 -0.11 0.00 -0.02 0.00 0.00 35.03 30.89 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 -4.58 1.83 0.02 1.97 -0.21 -1.24 -5.01 119.66 112.45 1wxm s GLN 18 Ca 0.00 -2.01 -0.03 0.00 0.02 0.00 0.00 55.36 53.34 1wxm s GLN 18 Cb 0.00 -1.43 -0.01 0.00 1.00 0.00 0.00 33.01 32.56 1wxm s GLN 18 CO 0.00 -0.04 0.04 -0.98 -2.12 0.00 0.00 175.29 172.18 1wxm s ARG 19 N -3.74 0.42 -0.02 2.91 3.03 -1.26 0.27 118.95 120.56 1wxm s ARG 19 Ca 0.34 -0.61 -0.01 0.00 2.03 0.00 0.00 55.73 57.48 1wxm s ARG 19 Cb 0.08 0.16 0.02 0.00 -1.03 0.00 0.00 34.95 34.18 1wxm s ARG 19 CO 0.17 -0.09 0.05 -0.08 -1.13 0.00 0.00 175.30 174.22 1wxm s THR 20 N -1.77 -0.03 -0.09 4.99 -1.32 0.13 -4.94 115.64 112.60 1wxm s THR 20 Ca -0.13 0.10 -0.18 0.00 -1.21 0.00 0.00 61.69 60.28 1wxm s THR 20 Cb -0.07 -0.09 -0.05 0.00 -1.51 0.00 0.00 72.50 70.79 1wxm s THR 20 CO -0.01 0.04 0.47 -0.69 -2.21 0.00 0.00 174.62 172.22 1wxm s VAL 21 N 0.56 5.14 0.29 5.08 1.01 -1.26 0.33 120.40 131.55 1wxm s VAL 21 Ca -0.04 0.95 0.09 0.00 0.00 0.00 0.00 61.98 62.98 1wxm s VAL 21 Cb -0.06 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1wxm s VAL 21 CO -0.02 0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 174.64 1wxm s VAL 22 N 0.31 2.09 0.14 2.92 1.01 0.11 -4.92 120.40 122.06 1wxm s VAL 22 Ca 0.26 -2.24 -0.21 0.00 0.00 0.00 0.00 61.98 59.79 1wxm s VAL 22 Cb -0.16 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1wxm s VAL 22 CO 0.11 -0.33 0.67 -0.89 0.00 0.00 0.00 175.10 174.66 1wxm s THR 23 N -2.73 4.59 -0.45 3.92 2.01 -1.26 0.27 115.64 121.99 1wxm s THR 23 Ca 0.30 1.36 -0.23 0.00 0.31 0.00 0.00 61.69 63.42 1wxm s THR 23 Cb 0.00 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.59 1wxm s THR 23 CO 0.14 0.44 0.81 -0.69 -0.69 0.00 0.00 174.62 174.62 1wxm s VAL 24 N -1.25 4.62 0.15 3.82 1.01 -1.22 -4.84 120.40 122.69 1wxm s VAL 24 Ca 0.35 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1wxm s VAL 24 Cb -0.20 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1wxm s VAL 24 CO 0.22 -0.73 -0.02 -0.13 0.00 0.00 0.00 175.10 174.44 1wxm s ARG 25 N 3.35 2.38 -0.90 2.72 0.52 -1.26 -4.93 118.95 120.84 1wxm s ARG 25 Ca 0.31 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1wxm s ARG 25 Cb -0.12 -2.38 0.29 0.00 0.52 0.00 0.00 34.95 33.26 1wxm s ARG 25 CO 0.23 0.48 1.19 -0.40 0.02 0.00 0.00 175.30 176.82 1wxm n ASP 26 N 0.12 5.37 0.00 0.23 5.75 -1.26 -3.60 116.55 123.16 1wxm n ASP 26 Ca -0.10 -3.44 0.00 0.00 -0.01 0.00 0.00 54.79 51.24 1wxm n ASP 26 Cb 0.54 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 1.09 -1.44 3.45 6.12 0.00 -1.26 -5.01 105.19 108.14 1wxm n GLY 27 Ca 0.28 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.00 -1.30 -1.89 1.61 0.00 -1.26 -4.83 117.12 106.44 1wxm n MET 28 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 57.70 57.28 1wxm n MET 28 Cb 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 33.22 31.22 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 -3.14 0.98 0.08 3.17 3.41 -1.26 -2.66 113.62 114.20 1wxm n SER 29 Ca 0.05 -1.62 -0.12 0.00 -0.26 0.00 0.00 58.87 56.92 1wxm n SER 29 Cb 0.55 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.14 1.47 0.56 -3.33 2.07 -1.50 -2.77 116.25 112.89 1wxm h VAL 30 Ca -0.11 -2.67 -0.03 0.00 0.82 0.00 0.00 66.70 64.71 1wxm h VAL 30 Cb 0.49 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1wxm h VAL 30 CO 0.16 0.79 -0.27 0.22 0.02 0.00 0.00 177.57 178.49 1wxm h TYR 31 N 0.14 -0.70 0.00 1.57 5.03 -1.78 1.13 116.97 122.36 1wxm h TYR 31 Ca -0.07 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1wxm h TYR 31 Cb 1.63 0.23 0.00 0.00 1.55 0.00 0.00 36.73 40.15 1wxm h TYR 31 CO 0.05 -0.37 0.00 -0.44 -1.32 0.00 0.00 178.16 176.07 1wxm h ASP 32 N -0.97 0.00 0.00 -2.11 3.32 -1.87 1.61 116.42 116.39 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 -0.31 0.28 -1.72 0.00 0.00 179.24 177.61 1wxm h SER 33 N 0.00 0.00 0.48 6.45 0.02 -1.12 -3.36 113.55 116.02 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 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1wxm h SER 33 CO 0.00 0.55 0.00 0.18 -1.14 0.00 0.00 176.83 176.42 1wxm n LEU 34 N -4.12 0.04 0.00 5.07 7.99 0.39 -3.64 117.00 122.72 1wxm n LEU 34 Ca -0.04 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 1wxm n LEU 34 Cb 0.16 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 1wxm n LEU 34 CO 0.07 -0.28 0.48 -0.67 -1.51 0.00 0.00 177.39 175.47 1wxm n ASP 35 N -1.54 0.00 -0.06 -1.43 -0.08 0.55 -0.54 116.55 113.44 1wxm n ASP 35 Ca 0.03 0.95 -0.07 0.00 -1.51 0.00 0.00 54.79 54.19 1wxm n ASP 35 Cb 0.16 -0.45 -0.02 0.00 2.34 0.00 0.00 41.12 43.15 1wxm n ASP 35 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1wxm h LYS 36 N 0.00 0.03 -1.98 -0.67 1.79 -1.79 0.15 116.57 114.09 1wxm h LYS 36 Ca 0.00 -0.00 0.58 0.00 -2.18 0.00 0.00 60.65 59.04 1wxm h LYS 36 Cb 0.00 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.56 1wxm h LYS 36 CO 0.00 0.02 1.43 0.00 -1.08 0.00 0.00 179.45 179.81 1wxm h ALA 37 N 1.24 3.88 0.00 3.86 0.00 -1.44 1.11 119.26 127.90 1wxm h ALA 37 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wxm h ALA 37 Cb 0.17 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wxm h ALA 37 CO -0.24 -2.44 -0.57 1.28 0.00 0.00 0.00 179.25 177.28 1wxm n LEU 38 N -3.94 1.81 -0.29 0.00 4.77 0.30 -4.31 117.00 115.34 1wxm n LEU 38 Ca 0.45 0.62 0.07 0.00 -0.03 0.00 0.00 56.01 57.11 1wxm n LEU 38 Cb 2.02 -0.88 0.17 0.00 -2.33 0.00 0.00 43.42 42.41 1wxm n LEU 38 CO 0.45 -0.42 0.77 0.11 -1.33 0.00 0.00 177.39 176.96 1wxm h LYS 39 N -1.00 0.04 -1.80 3.23 1.79 0.14 1.75 116.57 120.72 1wxm h LYS 39 Ca -0.02 -0.00 0.55 0.00 -2.18 0.00 0.00 60.65 58.99 1wxm h LYS 39 Cb 0.57 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.11 1wxm h LYS 39 CO -0.01 0.03 1.26 1.55 -1.08 0.00 0.00 179.45 181.19 1wxm n VAL 40 N -5.46 -0.08 -0.06 0.50 3.14 0.35 0.68 118.33 117.41 1wxm n VAL 40 Ca 0.15 1.59 -0.06 0.00 -2.96 0.00 0.00 64.34 63.06 1wxm n VAL 40 Cb 0.52 -2.63 -0.09 0.00 -1.06 0.00 0.00 33.84 30.58 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 -4.17 2.03 0.00 1.45 1.74 0.49 -5.01 116.66 113.20 1wxm n ARG 41 Ca 0.43 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1wxm n ARG 41 Cb 1.88 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 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 2.33 1.08 2.48 -0.13 0.00 0.42 -5.11 105.19 106.26 1wxm n GLY 42 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1wxm n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wxm n LEU 43 N 0.00 0.00 -3.69 0.99 4.77 -0.72 -4.82 117.00 113.53 1wxm n LEU 43 Ca 0.00 -0.69 -0.11 0.00 -0.03 0.00 0.00 56.01 55.17 1wxm n LEU 43 Cb 0.00 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.26 1wxm n LEU 43 CO 0.00 -2.52 0.10 0.20 -1.33 0.00 0.00 177.39 173.84 1wxm s ASN 44 N -2.91 -0.19 -0.29 -1.43 -0.87 -1.26 -4.30 114.94 103.69 1wxm s ASN 44 Ca 0.52 -0.23 -0.01 0.00 -1.57 0.00 0.00 52.86 51.57 1wxm s ASN 44 Cb -0.09 0.42 0.15 0.00 -0.02 0.00 0.00 41.25 41.71 1wxm s ASN 44 CO 0.44 -0.73 2.17 0.00 -2.57 0.00 0.00 177.10 176.41 1wxm n GLN 45 N 0.18 1.80 0.00 -0.60 3.00 -1.26 -3.45 117.38 117.05 1wxm n GLN 45 Ca -0.17 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1wxm n GLN 45 Cb 0.61 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1wxm n GLN 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wxm n ASP 46 N 0.62 2.00 -1.80 1.08 9.92 -1.26 -4.78 116.55 122.33 1wxm n ASP 46 Ca 0.30 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.36 1wxm n ASP 46 Cb 0.58 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.11 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wxm s VAL 49 N -1.99 0.47 -0.12 0.00 0.11 0.13 -4.73 120.40 114.26 1wxm s VAL 49 Ca -0.11 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 57.46 1wxm s VAL 49 Cb -0.06 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1wxm s VAL 49 CO -0.03 -0.70 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.17 1wxm s VAL 50 N -2.69 1.78 -0.04 2.04 1.01 -1.25 0.02 120.40 121.27 1wxm s VAL 50 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1wxm s VAL 50 Cb -0.01 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1wxm s VAL 50 CO -0.04 0.50 0.01 -0.31 0.00 0.00 0.00 175.10 175.26 1wxm s TYR 51 N 0.78 3.12 0.11 5.22 2.02 0.12 0.74 117.35 129.46 1wxm s TYR 51 Ca -0.10 0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1wxm s TYR 51 Cb -0.16 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1wxm s TYR 51 CO 0.01 0.47 0.19 1.03 -1.57 0.00 0.00 175.55 175.68 1wxm s ARG 52 N -1.30 3.24 -0.55 -0.62 0.52 0.13 0.12 118.95 120.49 1wxm s ARG 52 Ca 0.17 -0.61 -0.19 0.00 -0.52 0.00 0.00 55.73 54.58 1wxm s ARG 52 Cb -0.11 -2.89 0.08 0.00 0.52 0.00 0.00 34.95 32.54 1wxm s ARG 52 CO 0.07 0.55 0.67 -0.51 0.02 0.00 0.00 175.30 176.10 1wxm s LEU 53 N -2.79 5.14 -0.24 2.53 2.01 -1.11 -0.03 118.68 124.18 1wxm s LEU 53 Ca 0.33 -1.14 0.00 0.00 0.01 0.00 0.00 54.13 53.33 1wxm s LEU 53 Cb -0.12 -2.38 0.07 0.00 0.01 0.00 0.00 46.19 43.76 1wxm s LEU 53 CO 0.26 -1.00 -0.02 -0.63 1.01 0.00 0.00 176.35 175.97 1wxm s ILE 54 N 2.68 1.31 -1.76 -0.59 1.09 -0.93 -4.71 121.20 118.30 1wxm s ILE 54 Ca 0.14 -1.16 0.00 0.00 -1.10 0.00 0.00 60.65 58.53 1wxm s ILE 54 Cb -0.21 -1.67 0.00 0.00 -1.06 0.00 0.00 42.46 39.51 1wxm s ILE 54 CO 0.09 -0.19 0.00 0.29 -0.10 0.00 0.00 174.94 175.03 1wxm n LYS 55 N 4.74 -1.59 -2.18 2.79 4.76 -1.26 -1.34 118.16 124.07 1wxm n LYS 55 Ca -0.10 0.99 -0.00 0.00 -2.87 0.00 0.00 58.31 56.32 1wxm n LYS 55 Cb 0.44 -5.45 0.00 0.00 -1.84 0.00 0.00 35.03 28.18 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wxm n GLY 56 N -0.59 0.60 2.90 0.72 0.00 -1.26 -5.07 105.19 102.48 1wxm n GLY 56 Ca -0.19 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.35 0.08 -0.70 1.61 1.81 -0.45 -5.09 118.95 111.86 1wxm s ARG 57 Ca 0.00 0.47 -0.26 0.00 -1.72 0.00 0.00 55.73 54.22 1wxm s ARG 57 Cb -0.00 -0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 34.26 1wxm s ARG 57 CO 0.01 -0.23 1.88 0.15 -0.68 0.00 0.00 175.30 176.44 1wxm s LYS 58 N 1.68 2.61 -0.49 3.54 3.01 -1.24 -2.18 119.74 126.67 1wxm s LYS 58 Ca -0.04 0.34 -0.17 0.00 -1.01 0.00 0.00 55.97 55.10 1wxm s LYS 58 Cb -0.12 -4.58 0.07 0.00 -1.01 0.00 0.00 37.83 32.19 1wxm s LYS 58 CO -0.06 -2.92 0.49 0.99 0.51 0.00 0.00 175.35 174.36 1wxm s THR 59 N 9.35 5.10 0.59 2.17 2.01 0.95 -4.70 115.64 131.12 1wxm s THR 59 Ca 0.68 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 1wxm s THR 59 Cb -0.11 -4.20 -0.15 0.00 0.01 0.00 0.00 72.50 68.05 1wxm s THR 59 CO 0.14 -0.68 -0.22 0.52 -0.69 0.00 0.00 174.62 173.69 1wxm n VAL 60 N 5.36 0.07 -4.27 3.82 0.31 -1.26 0.22 118.33 122.57 1wxm n VAL 60 Ca -0.10 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.58 1wxm n VAL 60 Cb 0.44 -0.02 -0.10 0.00 -0.91 0.00 0.00 33.84 33.25 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 -1.99 1.21 0.41 2.52 -1.32 0.23 -4.65 115.64 112.04 1wxm s THR 61 Ca 0.54 -2.07 -0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1wxm s THR 61 Cb -0.44 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1wxm s THR 61 CO 0.69 -0.65 0.64 0.00 -2.21 0.00 0.00 174.62 173.08 1wxm s ALA 62 N -3.30 3.68 -0.12 11.08 0.00 -1.26 -4.54 121.76 127.29 1wxm s ALA 62 Ca 0.19 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1wxm s ALA 62 Cb 0.03 -2.19 -0.26 0.00 0.00 0.00 0.00 23.12 20.69 1wxm s ALA 62 CO 0.03 -0.22 0.43 -1.49 0.00 0.00 0.00 175.76 174.50 1wxm h TRP 63 N 0.52 0.46 -0.20 0.00 4.06 -1.99 -3.33 115.95 115.46 1wxm h TRP 63 Ca -0.48 -0.33 -0.03 0.00 2.06 0.00 0.00 58.89 60.10 1wxm h TRP 63 Cb 1.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 1wxm h TRP 63 CO 0.50 1.70 -0.03 -0.44 -3.56 0.00 0.00 178.44 176.60 1wxm h ASP 64 N -0.12 0.28 -2.01 -3.49 3.32 -1.98 -2.94 116.42 109.47 1wxm h ASP 64 Ca -0.38 -0.04 -0.51 0.00 0.02 0.00 0.00 57.03 56.12 1wxm h ASP 64 Cb 1.91 -0.07 0.24 0.00 0.22 0.00 0.00 39.33 41.63 1wxm h ASP 64 CO 0.06 0.36 -1.73 0.41 -1.72 0.00 0.00 179.24 176.62 1wxm n THR 65 N -4.34 0.00 -3.53 0.35 -1.04 -1.25 -4.71 114.28 99.75 1wxm n THR 65 Ca -0.00 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.05 61.55 1wxm n THR 65 Cb 0.21 -0.25 -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 -2.13 3.93 -2.06 2.41 0.00 -1.26 -2.33 121.76 120.32 1wxm s ALA 66 Ca 0.45 -1.19 0.18 0.00 0.00 0.00 0.00 51.96 51.41 1wxm s ALA 66 Cb -0.08 -1.87 0.09 0.00 0.00 0.00 0.00 23.12 21.26 1wxm s ALA 66 CO 0.71 0.00 1.02 1.51 0.00 0.00 0.00 175.76 179.00 1wxm n ILE 67 N -1.67 0.00 0.29 0.00 0.13 -1.09 -4.47 119.36 112.54 1wxm n ILE 67 Ca -0.04 -0.43 -0.16 0.00 -1.10 0.00 0.00 62.75 61.01 1wxm n ILE 67 Cb 0.57 1.32 -0.08 0.00 -0.84 0.00 0.00 39.64 40.61 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 3.42 -0.68 0.00 1.51 0.00 -1.75 -3.05 119.26 118.71 1wxm h ALA 68 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 1wxm h ALA 68 Cb 0.71 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1wxm h ALA 68 CO 0.00 -0.87 1.60 -0.35 0.00 0.00 0.00 179.25 179.63 1wxm n PRO 69 N -5.37 2.18 -1.95 0.00 -0.04 -1.26 -3.62 135.00 124.93 1wxm n PRO 69 Ca -0.12 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1wxm n PRO 69 Cb 0.29 -2.26 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.32 0.60 -4.65 1.53 7.99 -1.15 -5.08 117.00 119.56 1wxm n LEU 70 Ca 0.47 -2.44 -0.43 0.00 -0.01 0.00 0.00 56.01 53.60 1wxm n LEU 70 Cb 0.41 0.15 -0.02 0.00 -0.11 0.00 0.00 43.42 43.85 1wxm n LEU 70 CO 0.48 0.94 1.13 -0.62 -1.51 0.00 0.00 177.39 177.82 1wxm s ASP 71 N -2.30 6.81 -0.27 -1.43 2.15 -1.24 -4.09 116.67 116.30 1wxm s ASP 71 Ca 0.24 1.56 -0.07 0.00 0.43 0.00 0.00 52.55 54.71 1wxm s ASP 71 Cb 0.31 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.41 1wxm s ASP 71 CO -0.10 -0.90 0.28 0.61 -0.17 0.00 0.00 175.17 174.88 1wxm n GLY 72 N 3.92 -2.06 0.03 2.66 0.00 -1.26 -5.07 105.19 103.41 1wxm n GLY 72 Ca 0.15 0.65 -0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.07 0.00 -3.69 1.61 -0.00 -1.26 -5.15 120.64 112.09 1wxm n GLU 73 Ca 0.06 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.16 57.10 1wxm n GLU 73 Cb 0.21 0.02 -0.10 0.00 -0.00 0.00 0.00 31.44 31.57 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 -2.00 0.52 0.10 3.44 2.02 -1.26 -4.03 118.70 117.48 1wxm s GLU 74 Ca 0.00 0.83 0.07 0.00 0.02 0.00 0.00 54.97 55.89 1wxm s GLU 74 Cb -0.00 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 1wxm s GLU 74 CO 0.00 -0.12 -0.08 -0.51 0.02 0.00 0.00 175.26 174.57 1wxm s LEU 75 N 1.03 3.12 -0.25 1.80 1.43 -1.18 -2.77 118.68 121.87 1wxm s LEU 75 Ca -0.06 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1wxm s LEU 75 Cb -0.06 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1wxm s LEU 75 CO -0.09 0.18 -0.07 -0.63 0.23 0.00 0.00 176.35 175.97 1wxm s ILE 76 N -1.23 2.74 -0.32 -0.59 1.01 0.12 -1.49 121.20 121.44 1wxm s ILE 76 Ca 0.22 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 1wxm s ILE 76 Cb -0.11 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1wxm s ILE 76 CO 0.14 0.16 0.39 -0.69 0.00 0.00 0.00 174.94 174.95 1wxm s VAL 77 N 1.29 5.14 0.39 2.92 1.01 0.20 0.13 120.40 131.48 1wxm s VAL 77 Ca -0.01 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1wxm s VAL 77 Cb -0.17 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1wxm s VAL 77 CO -0.05 -0.02 0.04 -1.61 0.00 0.00 0.00 175.10 173.46 1wxm s GLU 78 N 2.10 1.86 -0.20 2.72 2.02 0.10 -1.51 118.70 125.79 1wxm s GLU 78 Ca 0.14 -2.07 -0.09 0.00 0.02 0.00 0.00 54.97 52.96 1wxm s GLU 78 Cb -0.16 -1.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.86 1wxm s GLU 78 CO 0.11 -0.20 0.11 0.08 0.02 0.00 0.00 175.26 175.38 1wxm s VAL 79 N -3.05 5.23 -0.18 2.63 1.01 -1.26 0.17 120.40 124.96 1wxm s VAL 79 Ca 0.30 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1wxm s VAL 79 Cb 0.07 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1wxm s VAL 79 CO 0.15 0.44 2.07 -0.76 0.00 0.00 0.00 175.10 176.99 1wxm s LEU 80 N 0.44 3.69 -0.03 3.92 1.43 0.25 -4.87 118.68 123.51 1wxm s LEU 80 Ca 0.07 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1wxm s LEU 80 Cb -0.12 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.69 1wxm s LEU 80 CO -0.01 -1.69 0.86 -0.55 0.23 0.00 0.00 176.35 175.20 1wxm s SER 81 N 6.90 -0.42 0.00 2.29 0.15 -1.26 -4.86 113.70 116.50 1wxm s SER 81 Ca 0.93 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1wxm s SER 81 Cb -0.33 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1wxm s SER 81 CO 0.36 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1wxm n GLY 82 N 0.12 4.12 3.55 9.45 0.00 -1.26 -5.01 105.19 116.17 1wxm n GLY 82 Ca -0.11 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.37 2.98 0.16 1.61 0.04 -1.26 -4.87 135.00 130.29 1wxm s PRO 83 Ca 0.00 -0.17 -0.27 0.00 0.04 0.00 0.00 61.00 60.60 1wxm s PRO 83 Cb 0.00 -4.64 0.01 0.00 0.04 0.00 0.00 34.50 29.90 1wxm s PRO 83 CO 0.00 -2.57 1.56 1.03 0.04 0.00 0.00 177.00 177.06 1wxm h SER 84 N 11.70 -1.60 -1.40 6.66 0.87 -2.05 -3.39 113.55 124.34 1wxm h SER 84 Ca -0.11 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1wxm h SER 84 Cb 1.07 0.71 -0.25 0.00 -0.44 0.00 0.00 62.40 63.49 1wxm h SER 84 CO 1.28 -0.34 -0.38 -0.44 -0.53 0.00 0.00 176.83 176.42 1wxm s SER 85 N -5.16 -0.65 0.00 6.23 0.01 -1.26 -5.30 113.70 107.57 1wxm s SER 85 Ca -0.14 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1wxm s SER 85 Cb 0.12 1.68 0.00 0.00 0.21 0.00 0.00 66.02 68.03 1wxm s SER 85 CO 0.65 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.63