#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 -0.34 0.66 1.61 0.01 -1.26 -5.15 113.70 109.23 1wxm s SER 2 Ca 0.00 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.66 1wxm s SER 2 Cb 0.00 0.66 -0.15 0.00 0.21 0.00 0.00 66.02 66.74 1wxm s SER 2 CO 0.00 -1.18 -0.32 -1.54 0.41 0.00 0.00 173.24 170.61 1wxm n SER 3 N -0.41 -4.35 -1.19 2.44 3.41 -1.26 -4.61 113.62 107.65 1wxm n SER 3 Ca -0.09 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.19 1wxm n SER 3 Cb 0.61 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1wxm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxm n GLY 4 N 2.79 -1.90 0.76 5.00 0.00 -1.26 -5.02 105.19 105.56 1wxm n GLY 4 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.63 -0.79 -2.62 1.61 2.88 -1.26 -4.98 113.62 104.82 1wxm n SER 5 Ca 0.01 0.33 -0.04 0.00 -1.33 0.00 0.00 58.87 57.83 1wxm n SER 5 Cb 0.52 0.97 -0.04 0.00 -0.75 0.00 0.00 64.21 64.91 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 -2.67 -2.18 -1.50 -3.46 7.64 -1.26 -4.80 113.62 105.39 1wxm n SER 6 Ca 0.00 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1wxm n SER 6 Cb 0.00 -5.31 0.00 0.00 -1.01 0.00 0.00 64.21 57.89 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 1.46 -0.42 2.75 0.23 0.00 -1.26 -4.99 105.19 102.96 1wxm n GLY 7 Ca -0.33 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.84 5.87 3.51 -0.02 0.00 -1.26 -4.90 105.19 107.55 1wxm n GLY 8 Ca 0.00 -2.62 -0.15 0.00 0.00 0.00 0.00 46.02 43.25 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 -4.70 0.00 -0.02 2.61 -4.23 -1.26 -3.09 115.64 104.95 1wxm s THR 9 Ca 0.45 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.33 1wxm s THR 9 Cb 0.30 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.47 1wxm s THR 9 CO -0.21 0.00 0.16 -0.69 -0.54 0.00 0.00 174.62 173.34 1wxm s VAL 10 N -2.94 0.05 -0.11 2.29 1.01 0.14 -4.51 120.40 116.32 1wxm s VAL 10 Ca 0.30 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1wxm s VAL 10 Cb -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1wxm s VAL 10 CO 0.20 -0.24 0.44 -0.54 0.00 0.00 0.00 175.10 174.96 1wxm s LYS 11 N -0.86 4.29 -0.19 2.72 1.02 -1.25 0.13 119.74 125.60 1wxm s LYS 11 Ca -0.09 0.39 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 1wxm s LYS 11 Cb -0.05 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1wxm s LYS 11 CO 0.01 0.23 -0.13 0.08 -0.92 0.00 0.00 175.35 174.62 1wxm s VAL 12 N 0.42 2.71 -0.42 3.17 1.01 0.15 -3.14 120.40 124.29 1wxm s VAL 12 Ca 0.24 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 1wxm s VAL 12 Cb -0.15 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1wxm s VAL 12 CO 0.10 0.49 0.69 -0.31 0.00 0.00 0.00 175.10 176.06 1wxm s TYR 13 N 1.29 3.06 0.64 5.22 2.02 -0.44 0.15 117.35 129.29 1wxm s TYR 13 Ca 0.04 0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.77 1wxm s TYR 13 Cb -0.14 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.04 1wxm s TYR 13 CO -0.07 -0.85 0.98 -0.51 -1.57 0.00 0.00 175.55 173.54 1wxm s LEU 14 N 2.94 3.09 0.00 -1.29 1.43 0.16 0.39 118.68 125.40 1wxm s LEU 14 Ca 0.25 0.88 0.22 0.00 -1.03 0.00 0.00 54.13 54.45 1wxm s LEU 14 Cb -0.14 -3.69 0.94 0.00 0.03 0.00 0.00 46.19 43.34 1wxm s LEU 14 CO 0.19 -1.19 1.70 -0.81 0.23 0.00 0.00 176.35 176.47 1wxm n PRO 15 N -2.77 0.02 -1.04 1.29 -0.04 -0.64 -3.35 135.00 128.48 1wxm n PRO 15 Ca 0.06 0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.45 1wxm n PRO 15 Cb 0.57 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.48 6.46 -2.49 3.54 2.85 -1.26 -4.76 115.26 118.10 1wxm n ASN 16 Ca 0.06 -3.09 -0.00 0.00 -0.11 0.00 0.00 54.58 51.43 1wxm n ASN 16 Cb 0.25 -1.11 -0.00 0.00 1.24 0.00 0.00 39.78 40.16 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 0.51 -2.99 -4.54 1.20 2.85 -1.21 -4.84 118.16 109.13 1wxm n LYS 17 Ca 0.35 0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 57.36 1wxm n LYS 17 Cb 0.58 -4.50 -0.11 0.00 -0.65 0.00 0.00 35.03 30.35 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 -4.99 1.82 0.02 -1.58 -0.21 -1.24 -5.01 119.66 108.47 1wxm s GLN 18 Ca 0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 55.36 53.36 1wxm s GLN 18 Cb 0.00 -1.32 -0.02 0.00 1.00 0.00 0.00 33.01 32.67 1wxm s GLN 18 CO 0.00 -0.09 -0.02 -0.98 -2.12 0.00 0.00 175.29 172.08 1wxm s ARG 19 N -3.78 0.33 -0.02 2.91 3.03 -1.26 0.37 118.95 120.54 1wxm s ARG 19 Ca 0.35 -0.62 0.00 0.00 2.03 0.00 0.00 55.73 57.50 1wxm s ARG 19 Cb 0.09 0.12 0.03 0.00 -1.03 0.00 0.00 34.95 34.16 1wxm s ARG 19 CO 0.17 -0.06 0.02 -0.08 -1.13 0.00 0.00 175.30 174.22 1wxm s THR 20 N -1.54 -0.03 -0.24 4.99 -1.32 0.12 -4.93 115.64 112.68 1wxm s THR 20 Ca -0.15 0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.31 1wxm s THR 20 Cb -0.09 -0.09 -0.02 0.00 -1.51 0.00 0.00 72.50 70.79 1wxm s THR 20 CO -0.01 0.08 0.60 -0.69 -2.21 0.00 0.00 174.62 172.39 1wxm s VAL 21 N 0.93 5.01 0.27 5.08 1.01 -1.26 0.29 120.40 131.74 1wxm s VAL 21 Ca -0.08 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.07 1wxm s VAL 21 Cb -0.11 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wxm s VAL 21 CO -0.03 0.06 0.04 -0.69 0.00 0.00 0.00 175.10 174.49 1wxm s VAL 22 N 2.32 3.61 0.12 2.92 1.01 0.12 -4.89 120.40 125.61 1wxm s VAL 22 Ca 0.25 -1.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.22 1wxm s VAL 22 Cb -0.16 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 1wxm s VAL 22 CO 0.09 -0.36 0.65 -0.89 0.00 0.00 0.00 175.10 174.59 1wxm s THR 23 N -2.30 4.60 -0.49 3.92 2.01 -1.26 0.24 115.64 122.37 1wxm s THR 23 Ca 0.32 1.36 -0.27 0.00 0.31 0.00 0.00 61.69 63.42 1wxm s THR 23 Cb -0.06 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.51 1wxm s THR 23 CO 0.21 0.50 1.02 -0.69 -0.69 0.00 0.00 174.62 174.97 1wxm s VAL 24 N -1.18 4.33 0.18 3.82 1.01 -1.18 -4.87 120.40 122.50 1wxm s VAL 24 Ca 0.33 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.25 1wxm s VAL 24 Cb -0.20 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1wxm s VAL 24 CO 0.22 -0.97 0.12 -0.13 0.00 0.00 0.00 175.10 174.34 1wxm s ARG 25 N 4.13 2.82 -0.68 2.72 0.52 -1.26 -4.96 118.95 122.23 1wxm s ARG 25 Ca 0.41 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 1wxm s ARG 25 Cb -0.09 -2.58 0.17 0.00 0.52 0.00 0.00 34.95 32.96 1wxm s ARG 25 CO 0.28 0.47 0.48 -0.51 0.02 0.00 0.00 175.30 176.04 1wxm s ASP 26 N -3.17 5.03 0.00 0.23 1.01 -1.26 -3.03 116.67 115.49 1wxm s ASP 26 Ca 0.31 -3.40 0.00 0.00 0.71 0.00 0.00 52.55 50.16 1wxm s ASP 26 Cb -0.10 -1.74 0.00 0.00 1.01 0.00 0.00 42.92 42.09 1wxm s ASP 26 CO 0.23 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.01 1wxm n GLY 27 N 2.66 -1.05 3.26 0.21 0.00 -1.26 -5.02 105.19 103.99 1wxm n GLY 27 Ca 0.14 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.81 -4.01 1.61 0.00 -1.26 -4.82 117.12 104.83 1wxm n MET 28 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 57.70 56.32 1wxm n MET 28 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 33.22 31.27 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 -2.69 4.57 0.25 3.17 0.01 -1.26 -2.67 113.70 115.08 1wxm s SER 29 Ca 0.64 -1.22 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 1wxm s SER 29 Cb -0.15 0.16 0.29 0.00 0.21 0.00 0.00 66.02 66.53 1wxm s SER 29 CO 0.57 -0.92 1.80 0.58 0.41 0.00 0.00 173.24 175.67 1wxm h VAL 30 N 0.98 1.24 0.63 3.43 2.07 -1.27 -0.03 116.25 123.30 1wxm h VAL 30 Ca -0.39 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1wxm h VAL 30 Cb 1.29 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1wxm h VAL 30 CO 0.62 0.32 -0.30 0.22 0.02 0.00 0.00 177.57 178.45 1wxm h TYR 31 N 0.95 -0.78 0.00 1.57 5.03 -1.75 1.31 116.97 123.29 1wxm h TYR 31 Ca 0.21 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1wxm h TYR 31 Cb 0.29 0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 1wxm h TYR 31 CO 0.02 -0.48 -0.04 -0.44 -1.32 0.00 0.00 178.16 175.90 1wxm h ASP 32 N -0.86 0.00 0.04 -2.11 3.32 -1.85 1.45 116.42 116.41 1wxm h ASP 32 Ca -0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1wxm h ASP 32 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1wxm h ASP 32 CO 0.14 0.04 -0.02 0.28 -1.72 0.00 0.00 179.24 177.97 1wxm h SER 33 N 0.00 -0.04 0.50 6.45 0.02 -0.20 -3.30 113.55 116.97 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 0.14 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1wxm h SER 33 CO 0.01 0.34 0.00 0.18 -1.14 0.00 0.00 176.83 176.21 1wxm n LEU 34 N -4.19 0.26 -0.16 5.07 7.99 0.44 -3.31 117.00 123.11 1wxm n LEU 34 Ca -0.01 0.57 -0.12 0.00 -0.01 0.00 0.00 56.01 56.44 1wxm n LEU 34 Cb 0.02 -0.54 -0.09 0.00 -0.11 0.00 0.00 43.42 42.69 1wxm n LEU 34 CO 0.02 -0.42 0.50 -0.78 -1.51 0.00 0.00 177.39 175.19 1wxm h ASP 35 N 0.00 -1.75 0.47 -1.43 3.58 0.19 0.46 116.42 117.94 1wxm h ASP 35 Ca 0.00 0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1wxm h ASP 35 Cb 0.25 0.73 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1wxm h ASP 35 CO 0.00 -0.35 -0.23 0.50 -2.88 0.00 0.00 179.24 176.28 1wxm h LYS 36 N -0.32 -0.61 -1.59 0.28 3.64 -1.74 1.16 116.57 117.39 1wxm h LYS 36 Ca 0.08 0.04 0.51 0.00 -1.27 0.00 0.00 60.65 60.00 1wxm h LYS 36 Cb 0.53 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 1wxm h LYS 36 CO -0.59 -0.33 1.08 0.00 -2.27 0.00 0.00 179.45 177.34 1wxm n ALA 37 N -2.45 1.55 -0.08 5.00 0.00 -0.80 0.10 120.51 123.83 1wxm n ALA 37 Ca -0.11 0.76 -0.07 0.00 0.00 0.00 0.00 53.44 54.02 1wxm n ALA 37 Cb 0.29 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -4.33 1.82 -0.35 0.00 4.77 0.16 -4.31 117.00 114.75 1wxm n LEU 38 Ca 0.41 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 57.06 1wxm n LEU 38 Cb 1.72 -0.87 0.17 0.00 -2.33 0.00 0.00 43.42 42.11 1wxm n LEU 38 CO 0.28 -0.38 0.68 0.29 -1.33 0.00 0.00 177.39 176.93 1wxm n LYS 39 N -4.58 -0.09 -0.32 3.23 4.01 0.40 0.20 118.16 121.01 1wxm n LYS 39 Ca -0.11 1.51 0.19 0.00 -0.51 0.00 0.00 58.31 59.40 1wxm n LYS 39 Cb 0.33 -2.29 0.37 0.00 -0.51 0.00 0.00 35.03 32.93 1wxm n LYS 39 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1wxm n VAL 40 N -5.56 -0.40 -0.04 -0.18 3.14 0.29 0.74 118.33 116.31 1wxm n VAL 40 Ca 0.17 2.05 -0.03 0.00 -2.96 0.00 0.00 64.34 63.58 1wxm n VAL 40 Cb 0.55 -3.10 -0.14 0.00 -1.06 0.00 0.00 33.84 30.09 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 -5.34 0.66 0.00 1.45 1.74 0.51 -4.98 116.66 110.69 1wxm n ARG 41 Ca 0.27 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1wxm n ARG 41 Cb 0.89 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 1.54 1.10 3.70 -0.13 0.00 0.55 -5.06 105.19 106.89 1wxm n GLY 42 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 4.36 0.12 0.99 1.43 -0.83 -4.86 118.68 119.90 1wxm s LEU 43 Ca 0.00 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.25 1wxm s LEU 43 Cb 0.00 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 1wxm s LEU 43 CO 0.00 -0.84 0.98 0.21 0.23 0.00 0.00 176.35 176.93 1wxm s ASN 44 N 2.07 7.47 -0.94 2.29 2.47 -1.26 -4.24 114.94 122.79 1wxm s ASN 44 Ca 0.71 1.83 -0.08 0.00 0.42 0.00 0.00 52.86 55.75 1wxm s ASN 44 Cb -0.39 -2.59 -0.13 0.00 -1.45 0.00 0.00 41.25 36.69 1wxm s ASN 44 CO 0.31 -0.09 2.90 0.00 -3.72 0.00 0.00 177.10 176.50 1wxm n GLN 45 N 2.76 2.73 0.00 0.43 6.02 -1.26 -2.98 117.38 125.07 1wxm n GLN 45 Ca 0.02 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 1wxm n GLN 45 Cb 0.49 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.31 1wxm n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1wxm n ASP 46 N 3.35 0.00 -1.19 1.08 -0.08 -1.26 -4.86 116.55 113.59 1wxm n ASP 46 Ca 0.58 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.92 1wxm n ASP 46 Cb 0.41 0.23 0.24 0.00 2.34 0.00 0.00 41.12 44.33 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 -1.03 1.51 -0.08 0.00 0.11 0.12 -4.89 120.40 116.14 1wxm s VAL 49 Ca -0.04 -2.15 0.03 0.00 -2.93 0.00 0.00 61.98 56.88 1wxm s VAL 49 Cb -0.08 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.80 1wxm s VAL 49 CO 0.01 -0.65 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.28 1wxm s VAL 50 N -3.12 1.40 -0.07 2.04 1.01 -1.26 0.26 120.40 120.67 1wxm s VAL 50 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1wxm s VAL 50 Cb 0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1wxm s VAL 50 CO 0.04 0.42 -0.05 -0.31 0.00 0.00 0.00 175.10 175.20 1wxm s TYR 51 N 0.64 2.99 -0.05 5.22 2.02 0.12 0.32 117.35 128.61 1wxm s TYR 51 Ca -0.14 0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 1wxm s TYR 51 Cb -0.16 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 1wxm s TYR 51 CO 0.04 0.37 0.32 1.03 -1.57 0.00 0.00 175.55 175.74 1wxm s ARG 52 N -0.86 3.81 -0.68 -0.62 0.52 0.12 0.12 118.95 121.36 1wxm s ARG 52 Ca 0.13 0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 55.32 1wxm s ARG 52 Cb -0.11 -3.23 0.06 0.00 0.52 0.00 0.00 34.95 32.18 1wxm s ARG 52 CO 0.02 0.67 1.06 -0.51 0.02 0.00 0.00 175.30 176.56 1wxm s LEU 53 N -0.88 4.00 -0.44 2.53 2.01 -1.00 -0.00 118.68 124.89 1wxm s LEU 53 Ca 0.20 -0.80 0.03 0.00 0.01 0.00 0.00 54.13 53.57 1wxm s LEU 53 Cb -0.15 -2.48 0.12 0.00 0.01 0.00 0.00 46.19 43.69 1wxm s LEU 53 CO 0.10 -1.56 0.19 -0.63 1.01 0.00 0.00 176.35 175.45 1wxm s ILE 54 N 4.58 2.15 -1.24 -0.59 1.09 -1.14 -4.73 121.20 121.32 1wxm s ILE 54 Ca 0.26 -2.78 -0.08 0.00 -1.10 0.00 0.00 60.65 56.96 1wxm s ILE 54 Cb -0.14 -2.53 0.01 0.00 -1.06 0.00 0.00 42.46 38.74 1wxm s ILE 54 CO 0.12 -0.75 1.01 1.17 -0.10 0.00 0.00 174.94 176.39 1wxm n LYS 55 N 3.62 -6.88 -2.92 2.79 4.81 -1.26 -2.68 118.16 115.64 1wxm n LYS 55 Ca 0.05 0.75 -0.11 0.00 -0.87 0.00 0.00 58.31 58.13 1wxm n LYS 55 Cb 0.36 -5.54 0.06 0.00 0.02 0.00 0.00 35.03 29.93 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wxm n GLY 56 N -1.82 -0.09 2.78 3.14 0.00 -1.26 -5.03 105.19 102.90 1wxm n GLY 56 Ca -0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.85 0.26 -0.44 1.61 1.81 -1.09 -5.09 118.95 111.16 1wxm s ARG 57 Ca 0.01 0.15 -0.28 0.00 -1.72 0.00 0.00 55.73 53.89 1wxm s ARG 57 Cb -0.00 -0.91 -0.08 0.00 -0.45 0.00 0.00 34.95 33.51 1wxm s ARG 57 CO 0.48 -0.77 2.36 1.63 -0.68 0.00 0.00 175.30 178.32 1wxm n LYS 58 N 5.32 1.22 -3.47 3.54 4.01 -1.25 -2.89 118.16 124.65 1wxm n LYS 58 Ca -0.04 0.18 -0.43 0.00 -0.51 0.00 0.00 58.31 57.51 1wxm n LYS 58 Cb 0.49 -3.14 -0.08 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 10.39 4.62 0.11 -0.18 2.01 1.00 -4.74 115.64 128.86 1wxm s THR 59 Ca 1.03 -1.53 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 1wxm s THR 59 Cb -0.38 -3.94 -0.18 0.00 0.01 0.00 0.00 72.50 68.02 1wxm s THR 59 CO 0.33 -0.72 0.73 0.52 -0.69 0.00 0.00 174.62 174.79 1wxm n VAL 60 N 5.04 1.13 -4.32 3.82 0.31 -1.26 0.12 118.33 123.17 1wxm n VAL 60 Ca -0.11 -0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 63.71 1wxm n VAL 60 Cb 0.41 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.27 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 -0.57 3.28 -0.15 2.52 -1.32 0.15 -4.74 115.64 114.81 1wxm s THR 61 Ca 0.73 -1.97 -0.08 0.00 -1.21 0.00 0.00 61.69 59.16 1wxm s THR 61 Cb -1.05 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.16 1wxm s THR 61 CO 0.55 -0.36 0.14 0.00 -2.21 0.00 0.00 174.62 172.74 1wxm s ALA 62 N -2.31 3.80 0.20 11.08 0.00 -1.26 -4.62 121.76 128.65 1wxm s ALA 62 Ca 0.31 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1wxm s ALA 62 Cb -0.06 -2.06 0.14 0.00 0.00 0.00 0.00 23.12 21.13 1wxm s ALA 62 CO 0.19 0.43 1.86 -1.49 0.00 0.00 0.00 175.76 176.75 1wxm h TRP 63 N 5.66 0.84 -0.99 0.00 4.06 -1.97 -0.87 115.95 122.68 1wxm h TRP 63 Ca -0.49 0.02 0.13 0.00 2.06 0.00 0.00 58.89 60.61 1wxm h TRP 63 Cb 1.20 -0.28 -0.08 0.00 -1.00 0.00 0.00 29.16 28.99 1wxm h TRP 63 CO 0.69 0.52 0.62 -0.44 -3.56 0.00 0.00 178.44 176.27 1wxm h ASP 64 N 0.90 0.88 -1.85 -3.49 5.19 -1.98 -2.94 116.42 113.13 1wxm h ASP 64 Ca 0.25 0.05 -0.53 0.00 -0.62 0.00 0.00 57.03 56.18 1wxm h ASP 64 Cb -0.08 -0.12 0.20 0.00 0.18 0.00 0.00 39.33 39.50 1wxm h ASP 64 CO -0.06 0.46 -1.44 0.41 -3.12 0.00 0.00 179.24 175.48 1wxm n THR 65 N -4.62 0.00 -2.24 0.35 -1.04 -0.33 -4.61 114.28 101.78 1wxm n THR 65 Ca 0.19 -0.46 -0.27 0.00 -2.04 0.00 0.00 64.05 61.47 1wxm n THR 65 Cb 0.39 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.05 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 -1.85 2.92 0.00 2.41 0.00 -1.26 -1.45 121.76 122.53 1wxm s ALA 66 Ca 0.44 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1wxm s ALA 66 Cb -0.29 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1wxm s ALA 66 CO 0.70 -2.01 0.98 1.51 0.00 0.00 0.00 175.76 176.95 1wxm n ILE 67 N -3.34 0.96 -0.02 0.00 0.13 -1.09 -4.01 119.36 112.00 1wxm n ILE 67 Ca 0.15 -0.98 -0.07 0.00 -1.10 0.00 0.00 62.75 60.76 1wxm n ILE 67 Cb 0.60 0.52 -0.05 0.00 -0.84 0.00 0.00 39.64 39.86 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 0.00 -0.08 0.00 1.51 0.00 -1.77 -3.35 119.26 115.57 1wxm h ALA 68 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 1wxm h ALA 68 Cb 0.49 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wxm h ALA 68 CO 0.00 -0.10 1.55 -0.35 0.00 0.00 0.00 179.25 180.35 1wxm n PRO 69 N -4.79 2.17 -1.79 0.00 -0.04 -1.26 -3.77 135.00 125.52 1wxm n PRO 69 Ca -0.05 -1.28 0.02 0.00 -0.04 0.00 0.00 63.50 62.15 1wxm n PRO 69 Cb 0.20 -2.25 0.04 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 3.30 1.40 -4.69 1.53 7.99 -1.26 -5.07 117.00 120.21 1wxm n LEU 70 Ca 0.46 -2.50 -0.42 0.00 -0.01 0.00 0.00 56.01 53.54 1wxm n LEU 70 Cb 0.42 0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 43.78 1wxm n LEU 70 CO 0.47 0.76 0.84 -0.62 -1.51 0.00 0.00 177.39 177.33 1wxm s ASP 71 N -2.61 7.19 -0.47 -1.43 2.15 -1.25 -4.17 116.67 116.08 1wxm s ASP 71 Ca 0.33 1.60 -0.15 0.00 0.43 0.00 0.00 52.55 54.76 1wxm s ASP 71 Cb 0.37 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1wxm s ASP 71 CO -0.12 -0.49 0.62 0.61 -0.17 0.00 0.00 175.17 175.62 1wxm n GLY 72 N 3.17 -1.24 2.41 2.66 0.00 -1.26 -5.05 105.19 105.88 1wxm n GLY 72 Ca 0.09 1.15 -0.05 0.00 0.00 0.00 0.00 46.02 47.22 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 -0.51 0.66 -3.50 1.61 -0.00 -1.26 -5.15 120.64 112.50 1wxm n GLU 73 Ca 0.09 -1.31 -0.09 0.00 -0.00 0.00 0.00 57.16 55.85 1wxm n GLU 73 Cb 0.48 1.66 -0.09 0.00 -0.00 0.00 0.00 31.44 33.50 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 -2.05 0.33 0.12 3.44 2.02 -1.26 -3.86 118.70 117.44 1wxm s GLU 74 Ca 0.11 0.79 -0.03 0.00 0.02 0.00 0.00 54.97 55.87 1wxm s GLU 74 Cb -0.03 -0.05 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 1wxm s GLU 74 CO 0.07 -0.45 0.32 -0.51 0.02 0.00 0.00 175.26 174.71 1wxm s LEU 75 N 2.58 4.29 -0.26 1.80 1.43 -1.19 -2.37 118.68 124.97 1wxm s LEU 75 Ca 0.06 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1wxm s LEU 75 Cb -0.14 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 42.95 1wxm s LEU 75 CO -0.14 0.08 -0.08 -0.63 0.23 0.00 0.00 176.35 175.80 1wxm s ILE 76 N -1.63 2.48 -0.43 -0.59 1.01 0.12 -1.33 121.20 120.83 1wxm s ILE 76 Ca 0.39 -1.40 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 1wxm s ILE 76 Cb -0.12 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1wxm s ILE 76 CO 0.26 0.05 0.54 -0.69 0.00 0.00 0.00 174.94 175.10 1wxm s VAL 77 N 1.20 4.96 0.28 2.92 1.01 0.16 0.16 120.40 131.09 1wxm s VAL 77 Ca -0.05 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1wxm s VAL 77 Cb -0.19 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1wxm s VAL 77 CO -0.05 -0.50 0.08 -1.61 0.00 0.00 0.00 175.10 173.02 1wxm s GLU 78 N 2.48 2.46 -0.20 2.72 2.02 0.14 -1.63 118.70 126.70 1wxm s GLU 78 Ca 0.17 -1.37 -0.04 0.00 0.02 0.00 0.00 54.97 53.75 1wxm s GLU 78 Cb -0.16 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 1wxm s GLU 78 CO 0.16 0.30 -0.02 0.54 0.02 0.00 0.00 175.26 176.27 1wxm s VAL 79 N -2.31 3.80 0.02 2.63 0.11 -1.26 0.15 120.40 123.54 1wxm s VAL 79 Ca 0.34 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 1wxm s VAL 79 Cb -0.06 -2.71 -0.16 0.00 -1.53 0.00 0.00 36.38 31.92 1wxm s VAL 79 CO 0.22 0.43 1.20 -0.07 -3.33 0.00 0.00 175.10 173.56 1wxm h LEU 80 N 7.52 -0.79 0.00 2.54 3.38 0.14 -3.45 115.31 124.65 1wxm h LEU 80 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wxm h LEU 80 Cb 1.18 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1wxm h LEU 80 CO 0.61 -0.43 0.00 -0.24 0.09 0.00 0.00 178.44 178.47 1wxm n SER 81 N -5.41 0.00 0.00 -0.43 2.88 -1.22 -4.69 113.62 104.75 1wxm n SER 81 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wxm n SER 81 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1wxm n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 82 N 0.00 0.42 3.10 0.46 0.00 -1.26 -5.02 105.19 102.89 1wxm n GLY 82 Ca 0.00 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1wxm n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wxm n PRO 83 N -0.44 2.21 -2.78 1.61 -0.04 -1.26 -4.37 135.00 129.93 1wxm n PRO 83 Ca 0.00 -2.38 -0.06 0.00 -0.04 0.00 0.00 63.50 61.02 1wxm n PRO 83 Cb 0.00 -3.23 0.01 0.00 -0.04 0.00 0.00 33.50 30.24 1wxm n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wxm n SER 84 N 8.04 -7.80 -4.59 3.54 7.64 -1.26 -4.93 113.62 114.26 1wxm n SER 84 Ca 0.50 0.71 -0.42 0.00 1.01 0.00 0.00 58.87 60.67 1wxm n SER 84 Cb 0.41 -5.26 -0.05 0.00 -1.01 0.00 0.00 64.21 58.30 1wxm n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxm s SER 85 N -2.35 6.57 0.00 6.43 0.15 -1.26 -5.26 113.70 117.98 1wxm s SER 85 Ca 0.19 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wxm s SER 85 Cb -0.05 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wxm s SER 85 CO 0.75 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 175.15