#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 -3.53 -3.41 1.61 7.64 -1.26 -5.14 113.62 109.53 1wxm n SER 2 Ca 0.00 0.80 0.03 0.00 1.01 0.00 0.00 58.87 60.71 1wxm n SER 2 Cb 0.00 3.36 -0.05 0.00 -1.01 0.00 0.00 64.21 66.51 1wxm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxm s SER 3 N -2.00 -0.01 0.00 6.43 0.15 -1.26 -5.19 113.70 111.83 1wxm s SER 3 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wxm s SER 3 Cb 0.00 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1wxm s SER 3 CO 0.00 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wxm n GLY 4 N 3.73 5.76 3.10 9.45 0.00 -1.26 -4.96 105.19 121.02 1wxm n GLY 4 Ca -0.12 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 1wxm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxm n SER 5 N -0.47 -6.86 -4.89 1.61 7.64 -1.26 -4.95 113.62 104.44 1wxm n SER 5 Ca 0.00 0.58 -0.28 0.00 1.01 0.00 0.00 58.87 60.18 1wxm n SER 5 Cb 0.00 -2.73 0.09 0.00 -1.01 0.00 0.00 64.21 60.56 1wxm n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxm s SER 6 N -1.32 4.54 0.00 6.43 0.15 -1.26 -5.07 113.70 117.17 1wxm s SER 6 Ca 0.07 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1wxm s SER 6 Cb -0.01 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1wxm s SER 6 CO 0.36 -1.85 0.00 0.61 1.20 0.00 0.00 173.24 173.56 1wxm n GLY 7 N -3.23 4.14 2.78 9.45 0.00 -1.26 -5.04 105.19 112.03 1wxm n GLY 7 Ca 0.08 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 0.14 5.82 3.60 -0.02 0.00 -1.26 -5.00 105.19 108.46 1wxm n GLY 8 Ca 0.00 -2.70 -0.12 0.00 0.00 0.00 0.00 46.02 43.20 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 -4.66 0.00 0.03 2.61 -4.23 -1.26 -3.15 115.64 104.98 1wxm s THR 9 Ca 0.46 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1wxm s THR 9 Cb 0.29 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1wxm s THR 9 CO -0.17 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.21 1wxm s VAL 10 N -3.20 0.13 -0.15 2.29 1.01 0.14 -4.67 120.40 115.96 1wxm s VAL 10 Ca 0.24 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1wxm s VAL 10 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1wxm s VAL 10 CO 0.15 -0.61 0.48 -0.75 0.00 0.00 0.00 175.10 174.37 1wxm s LYS 11 N -2.10 4.28 -0.24 2.72 2.20 -1.26 0.04 119.74 125.38 1wxm s LYS 11 Ca -0.10 0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1wxm s LYS 11 Cb -0.05 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1wxm s LYS 11 CO -0.03 0.05 -0.06 0.08 -0.36 0.00 0.00 175.35 175.03 1wxm s VAL 12 N 0.98 2.98 -0.43 4.02 1.01 0.14 -3.30 120.40 125.80 1wxm s VAL 12 Ca 0.25 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1wxm s VAL 12 Cb -0.15 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1wxm s VAL 12 CO 0.10 0.27 0.72 -0.31 0.00 0.00 0.00 175.10 175.88 1wxm s TYR 13 N 1.37 3.04 0.65 5.22 2.02 -0.56 0.20 117.35 129.29 1wxm s TYR 13 Ca 0.02 0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.77 1wxm s TYR 13 Cb -0.16 -3.49 0.01 0.00 -0.40 0.00 0.00 41.96 37.92 1wxm s TYR 13 CO -0.05 -0.90 1.00 -0.51 -1.57 0.00 0.00 175.55 173.53 1wxm s LEU 14 N 3.07 3.08 0.00 -1.29 1.43 0.16 0.25 118.68 125.38 1wxm s LEU 14 Ca 0.27 0.98 0.22 0.00 -1.03 0.00 0.00 54.13 54.57 1wxm s LEU 14 Cb -0.13 -3.81 1.03 0.00 0.03 0.00 0.00 46.19 43.31 1wxm s LEU 14 CO 0.20 -1.17 1.72 -0.81 0.23 0.00 0.00 176.35 176.52 1wxm n PRO 15 N -2.80 0.15 -1.02 1.29 -0.04 -0.54 -3.29 135.00 128.75 1wxm n PRO 15 Ca 0.06 0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.41 1wxm n PRO 15 Cb 0.57 -1.50 0.04 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 -1.40 6.66 -2.31 3.54 5.15 -1.26 -4.78 115.26 120.86 1wxm n ASN 16 Ca 0.08 -3.19 -0.02 0.00 -0.60 0.00 0.00 54.58 50.85 1wxm n ASN 16 Cb 0.22 -1.06 -0.00 0.00 -0.53 0.00 0.00 39.78 38.40 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 0.21 -2.63 -4.59 1.20 5.02 -1.21 -4.85 118.16 111.32 1wxm n LYS 17 Ca 0.37 0.11 -0.27 0.00 -2.02 0.00 0.00 58.31 56.49 1wxm n LYS 17 Cb 0.58 -4.56 -0.11 0.00 -0.02 0.00 0.00 35.03 30.92 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 -4.64 1.91 0.02 1.97 -0.21 -1.24 -5.00 119.66 112.46 1wxm s GLN 18 Ca 0.00 -2.09 -0.02 0.00 0.02 0.00 0.00 55.36 53.28 1wxm s GLN 18 Cb 0.00 -1.45 -0.02 0.00 1.00 0.00 0.00 33.01 32.54 1wxm s GLN 18 CO 0.00 -0.10 0.00 -0.98 -2.12 0.00 0.00 175.29 172.09 1wxm s ARG 19 N -3.76 0.38 -0.03 2.91 1.70 -1.26 0.38 118.95 119.28 1wxm s ARG 19 Ca 0.34 -0.63 -0.02 0.00 -0.47 0.00 0.00 55.73 54.95 1wxm s ARG 19 Cb 0.09 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1wxm s ARG 19 CO 0.17 -0.07 0.06 -0.08 -1.08 0.00 0.00 175.30 174.30 1wxm s THR 20 N -1.71 -0.02 -0.17 4.99 -1.32 0.13 -4.94 115.64 112.61 1wxm s THR 20 Ca -0.13 0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.19 1wxm s THR 20 Cb -0.08 -0.10 -0.02 0.00 -1.51 0.00 0.00 72.50 70.79 1wxm s THR 20 CO -0.01 0.03 0.71 -0.69 -2.21 0.00 0.00 174.62 172.44 1wxm s VAL 21 N 0.39 4.98 0.20 5.08 1.01 -1.26 0.29 120.40 131.08 1wxm s VAL 21 Ca -0.03 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.40 1wxm s VAL 21 Cb -0.04 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1wxm s VAL 21 CO -0.01 0.10 0.01 -0.69 0.00 0.00 0.00 175.10 174.50 1wxm s VAL 22 N 1.84 3.68 0.04 2.92 1.01 0.11 -4.89 120.40 125.10 1wxm s VAL 22 Ca 0.33 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.58 1wxm s VAL 22 Cb -0.16 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 1wxm s VAL 22 CO 0.12 -0.18 0.56 -0.89 0.00 0.00 0.00 175.10 174.71 1wxm s THR 23 N -1.87 4.82 -0.44 3.92 2.01 -1.26 0.28 115.64 123.09 1wxm s THR 23 Ca 0.28 1.19 -0.23 0.00 0.31 0.00 0.00 61.69 63.24 1wxm s THR 23 Cb -0.09 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1wxm s THR 23 CO 0.19 0.51 0.78 -0.69 -0.69 0.00 0.00 174.62 174.72 1wxm s VAL 24 N -0.80 4.66 -0.15 3.82 1.01 -1.19 -4.86 120.40 122.90 1wxm s VAL 24 Ca 0.29 0.44 0.16 0.00 0.00 0.00 0.00 61.98 62.87 1wxm s VAL 24 Cb -0.19 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.64 1wxm s VAL 24 CO 0.18 -0.70 0.26 0.54 0.00 0.00 0.00 175.10 175.39 1wxm n ARG 25 N 6.68 0.67 -2.20 2.72 1.74 -1.26 -4.94 116.66 120.07 1wxm n ARG 25 Ca 0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1wxm n ARG 25 Cb 0.48 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1wxm n ARG 25 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wxm n ASP 26 N -2.84 -9.27 0.00 0.55 9.92 -1.26 -4.80 116.55 108.84 1wxm n ASP 26 Ca -0.28 1.59 0.00 0.00 -0.53 0.00 0.00 54.79 55.57 1wxm n ASP 26 Cb 1.12 -5.16 0.00 0.00 -0.64 0.00 0.00 41.12 36.44 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wxm n GLY 27 N 1.89 2.85 3.43 0.44 0.00 -1.26 -4.88 105.19 107.66 1wxm n GLY 27 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.41 -1.64 1.61 0.00 -1.26 -4.48 117.12 109.94 1wxm n MET 28 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 57.70 57.03 1wxm n MET 28 Cb 0.00 -1.99 0.14 0.00 0.00 0.00 0.00 33.22 31.37 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 -2.19 3.40 0.16 3.17 0.01 -1.26 -0.88 113.70 116.12 1wxm s SER 29 Ca 0.62 0.77 0.13 0.00 1.31 0.00 0.00 55.95 58.78 1wxm s SER 29 Cb -0.20 -1.20 -0.08 0.00 0.21 0.00 0.00 66.02 64.76 1wxm s SER 29 CO 0.65 -2.60 1.20 0.58 0.41 0.00 0.00 173.24 173.48 1wxm h VAL 30 N -1.53 0.99 0.90 3.43 2.07 -1.35 -3.12 116.25 117.64 1wxm h VAL 30 Ca -0.48 -2.51 -0.04 0.00 0.82 0.00 0.00 66.70 64.49 1wxm h VAL 30 Cb 1.31 2.44 0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1wxm h VAL 30 CO 0.56 0.56 -0.43 0.22 0.02 0.00 0.00 177.57 178.50 1wxm h TYR 31 N 0.00 -1.12 0.00 1.57 5.03 -1.76 1.08 116.97 121.77 1wxm h TYR 31 Ca -0.07 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 1wxm h TYR 31 Cb 1.58 0.37 -0.00 0.00 1.55 0.00 0.00 36.73 40.23 1wxm h TYR 31 CO 0.00 -0.69 -0.03 -0.44 -1.32 0.00 0.00 178.16 175.68 1wxm h ASP 32 N -1.27 0.00 0.16 -2.11 3.32 -1.87 1.55 116.42 116.20 1wxm h ASP 32 Ca -0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1wxm h ASP 32 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1wxm h ASP 32 CO 0.20 0.03 -0.08 0.28 -1.72 0.00 0.00 179.24 177.96 1wxm h SER 33 N 0.00 -0.18 0.50 6.45 0.02 -1.37 -3.26 113.55 115.70 1wxm h SER 33 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1wxm h SER 33 Cb 0.09 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1wxm h SER 33 CO 0.00 0.17 0.00 0.18 -1.14 0.00 0.00 176.83 176.04 1wxm n LEU 34 N -4.24 0.00 0.00 5.07 7.99 0.37 -3.67 117.00 122.52 1wxm n LEU 34 Ca -0.03 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.46 1wxm n LEU 34 Cb 0.09 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 1wxm n LEU 34 CO 0.07 -0.24 0.46 -0.67 -1.51 0.00 0.00 177.39 175.50 1wxm n ASP 35 N -1.49 0.00 -0.11 -1.43 -0.08 0.53 -0.51 116.55 113.46 1wxm n ASP 35 Ca 0.04 0.92 -0.06 0.00 -1.51 0.00 0.00 54.79 54.18 1wxm n ASP 35 Cb 0.17 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.17 -1.74 -0.67 3.64 -1.73 0.84 116.57 116.75 1wxm h LYS 36 Ca 0.00 0.01 0.51 0.00 -1.27 0.00 0.00 60.65 59.90 1wxm h LYS 36 Cb 0.00 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 1wxm h LYS 36 CO 0.00 -0.12 1.24 0.00 -2.27 0.00 0.00 179.45 178.30 1wxm h ALA 37 N 0.99 3.58 0.00 5.00 0.00 -1.53 0.92 119.26 128.22 1wxm h ALA 37 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1wxm h ALA 37 Cb 0.47 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1wxm h ALA 37 CO -0.49 -2.11 -0.98 1.28 0.00 0.00 0.00 179.25 176.96 1wxm n LEU 38 N -4.09 1.85 -0.30 0.00 4.77 0.21 -4.31 117.00 115.14 1wxm n LEU 38 Ca 0.40 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.97 1wxm n LEU 38 Cb 1.79 -0.89 0.20 0.00 -2.33 0.00 0.00 43.42 42.19 1wxm n LEU 38 CO 0.41 -0.12 0.79 0.11 -1.33 0.00 0.00 177.39 177.25 1wxm h LYS 39 N -1.00 0.05 -1.50 3.23 1.79 0.30 1.62 116.57 121.06 1wxm h LYS 39 Ca -0.18 -0.00 0.49 0.00 -2.18 0.00 0.00 60.65 58.78 1wxm h LYS 39 Cb 0.92 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.44 1wxm h LYS 39 CO -0.11 0.04 1.01 1.55 -1.08 0.00 0.00 179.45 180.85 1wxm n VAL 40 N -5.44 -0.17 -0.05 0.50 3.14 0.29 0.99 118.33 117.60 1wxm n VAL 40 Ca 0.17 1.65 -0.03 0.00 -2.96 0.00 0.00 64.34 63.17 1wxm n VAL 40 Cb 0.57 -2.71 -0.10 0.00 -1.06 0.00 0.00 33.84 30.54 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 -4.40 1.56 0.00 1.45 1.74 0.46 -5.00 116.66 112.46 1wxm n ARG 41 Ca 0.40 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1wxm n ARG 41 Cb 1.64 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 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 2.10 1.10 3.61 -0.13 0.00 0.38 -5.09 105.19 107.17 1wxm n GLY 42 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.60 -4.75 0.99 4.77 -0.82 -4.84 117.00 114.96 1wxm n LEU 43 Ca 0.00 0.43 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 1wxm n LEU 43 Cb 0.00 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 39.62 1wxm n LEU 43 CO 0.00 -2.46 -0.25 0.20 -1.33 0.00 0.00 177.39 173.55 1wxm s ASN 44 N -2.37 5.20 -0.50 -1.43 -0.87 -1.26 -4.32 114.94 109.39 1wxm s ASN 44 Ca 0.66 -0.30 -0.01 0.00 -1.57 0.00 0.00 52.86 51.63 1wxm s ASN 44 Cb -0.24 -1.24 0.33 0.00 -0.02 0.00 0.00 41.25 40.08 1wxm s ASN 44 CO 0.59 0.04 2.04 0.00 -2.57 0.00 0.00 177.10 177.19 1wxm n GLN 45 N -0.58 2.25 0.00 -0.60 3.00 -1.26 -3.66 117.38 116.53 1wxm n GLN 45 Ca -0.08 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.48 1wxm n GLN 45 Cb 0.56 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 -0.28 0.00 -1.85 1.08 2.03 -1.26 -4.82 116.55 111.45 1wxm n ASP 46 Ca 0.47 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.66 1wxm n ASP 46 Cb 0.61 0.02 0.19 0.00 -0.72 0.00 0.00 41.12 41.22 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 -1.32 0.82 -0.09 0.00 0.11 0.12 -4.87 120.40 115.17 1wxm s VAL 49 Ca -0.14 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 56.92 1wxm s VAL 49 Cb -0.09 -2.08 0.02 0.00 -1.53 0.00 0.00 36.38 32.70 1wxm s VAL 49 CO -0.00 -0.52 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.45 1wxm s VAL 50 N -3.56 1.12 -0.05 2.04 1.01 -1.25 0.14 120.40 119.86 1wxm s VAL 50 Ca 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1wxm s VAL 50 Cb 0.05 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1wxm s VAL 50 CO 0.04 0.37 0.03 -0.31 0.00 0.00 0.00 175.10 175.23 1wxm s TYR 51 N 1.18 3.21 -0.04 5.22 2.02 0.10 -0.20 117.35 128.85 1wxm s TYR 51 Ca -0.05 0.20 0.07 0.00 -0.37 0.00 0.00 57.07 56.92 1wxm s TYR 51 Cb -0.14 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1wxm s TYR 51 CO -0.03 0.51 -0.25 1.03 -1.57 0.00 0.00 175.55 175.25 1wxm s ARG 52 N -1.28 2.31 -0.72 -0.62 0.52 0.15 0.18 118.95 119.48 1wxm s ARG 52 Ca 0.17 -0.90 -0.26 0.00 -0.52 0.00 0.00 55.73 54.23 1wxm s ARG 52 Cb -0.12 -2.07 0.04 0.00 0.52 0.00 0.00 34.95 33.32 1wxm s ARG 52 CO 0.07 0.45 1.22 -0.51 0.02 0.00 0.00 175.30 176.55 1wxm s LEU 53 N -0.34 3.37 -0.07 2.53 2.01 -1.23 0.01 118.68 124.97 1wxm s LEU 53 Ca 0.02 -0.51 -0.07 0.00 0.01 0.00 0.00 54.13 53.58 1wxm s LEU 53 Cb -0.12 -2.56 -0.02 0.00 0.01 0.00 0.00 46.19 43.50 1wxm s LEU 53 CO 0.02 -1.76 -0.13 -0.38 1.01 0.00 0.00 176.35 175.11 1wxm n ILE 54 N 6.32 0.59 -2.48 -0.59 -0.00 -1.23 -4.77 119.36 117.19 1wxm n ILE 54 Ca 0.02 0.35 -0.26 0.00 -0.00 0.00 0.00 62.75 62.86 1wxm n ILE 54 Cb 0.48 -1.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.31 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 -3.26 3.33 -1.48 0.38 4.01 -1.26 -4.85 118.16 115.04 1wxm n LYS 55 Ca -0.05 -4.45 -0.13 0.00 -0.51 0.00 0.00 58.31 53.16 1wxm n LYS 55 Cb 0.20 -2.21 -0.05 0.00 -0.51 0.00 0.00 35.03 32.46 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 -0.46 1.25 3.03 0.72 0.00 -1.26 -4.99 105.19 103.48 1wxm n GLY 56 Ca 0.38 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.29 0.76 -0.59 1.61 1.81 -1.26 -5.07 118.95 112.91 1wxm s ARG 57 Ca 0.00 -0.35 -0.26 0.00 -1.72 0.00 0.00 55.73 53.40 1wxm s ARG 57 Cb 0.00 -0.73 -0.06 0.00 -0.45 0.00 0.00 34.95 33.71 1wxm s ARG 57 CO 0.00 0.20 2.20 0.15 -0.68 0.00 0.00 175.30 177.17 1wxm s LYS 58 N -0.26 2.24 -0.58 3.54 3.01 -1.26 -3.54 119.74 122.89 1wxm s LYS 58 Ca 0.03 0.93 -0.18 0.00 -1.01 0.00 0.00 55.97 55.74 1wxm s LYS 58 Cb -0.04 -4.58 0.11 0.00 -1.01 0.00 0.00 37.83 32.31 1wxm s LYS 58 CO -0.00 -3.24 0.67 0.99 0.51 0.00 0.00 175.35 174.27 1wxm s THR 59 N 11.34 4.89 0.96 2.17 2.01 0.10 -4.74 115.64 132.37 1wxm s THR 59 Ca 0.85 -1.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.63 1wxm s THR 59 Cb -0.14 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1wxm s THR 59 CO 0.20 -1.08 -0.07 0.52 -0.69 0.00 0.00 174.62 173.50 1wxm n VAL 60 N 5.50 0.04 -4.21 3.82 0.31 -1.26 0.29 118.33 122.81 1wxm n VAL 60 Ca -0.10 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 63.78 1wxm n VAL 60 Cb 0.42 -0.38 -0.10 0.00 -0.91 0.00 0.00 33.84 32.87 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 -2.23 0.98 0.20 2.52 -1.32 0.72 -4.68 115.64 111.84 1wxm s THR 61 Ca 0.50 -1.94 -0.12 0.00 -1.21 0.00 0.00 61.69 58.92 1wxm s THR 61 Cb -0.20 -1.70 -0.07 0.00 -1.51 0.00 0.00 72.50 69.01 1wxm s THR 61 CO 0.73 -0.75 0.57 0.00 -2.21 0.00 0.00 174.62 172.96 1wxm s ALA 62 N -3.25 3.55 0.05 11.08 0.00 -1.26 -4.61 121.76 127.32 1wxm s ALA 62 Ca 0.13 -0.19 0.21 0.00 0.00 0.00 0.00 51.96 52.11 1wxm s ALA 62 Cb 0.02 -2.50 0.67 0.00 0.00 0.00 0.00 23.12 21.31 1wxm s ALA 62 CO -0.01 0.47 1.72 -1.49 0.00 0.00 0.00 175.76 176.45 1wxm h TRP 63 N 2.94 0.00 0.11 0.00 4.06 -1.98 -2.86 115.95 118.20 1wxm h TRP 63 Ca -0.48 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.21 1wxm h TRP 63 Cb 1.18 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.35 1wxm h TRP 63 CO 0.63 0.30 -1.18 -0.44 -3.56 0.00 0.00 178.44 174.18 1wxm h ASP 64 N 0.00 0.50 -1.91 -3.49 3.32 -1.97 -2.70 116.42 110.17 1wxm h ASP 64 Ca -0.00 -0.49 -0.54 0.00 0.02 0.00 0.00 57.03 56.01 1wxm h ASP 64 Cb 0.92 -0.16 0.24 0.00 0.22 0.00 0.00 39.33 40.56 1wxm h ASP 64 CO 0.04 1.36 -1.95 0.41 -1.72 0.00 0.00 179.24 177.38 1wxm n THR 65 N -3.61 0.00 -3.18 0.35 -1.04 -1.08 -4.54 114.28 101.18 1wxm n THR 65 Ca -0.09 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.05 61.25 1wxm n THR 65 Cb 0.98 -0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 69.45 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 -2.01 3.61 -0.56 2.41 0.00 -1.26 -1.98 121.76 121.96 1wxm s ALA 66 Ca 0.40 -0.74 0.14 0.00 0.00 0.00 0.00 51.96 51.76 1wxm s ALA 66 Cb -0.14 -2.27 0.72 0.00 0.00 0.00 0.00 23.12 21.43 1wxm s ALA 66 CO 0.80 -0.06 1.60 1.51 0.00 0.00 0.00 175.76 179.62 1wxm n ILE 67 N -1.74 2.26 -0.03 0.00 0.13 -0.06 -4.31 119.36 115.60 1wxm n ILE 67 Ca -0.03 -1.21 -0.07 0.00 -1.10 0.00 0.00 62.75 60.35 1wxm n ILE 67 Cb 0.55 -0.20 -0.06 0.00 -0.84 0.00 0.00 39.64 39.10 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 3.87 -0.05 0.00 1.51 0.00 -1.88 -3.35 119.26 119.35 1wxm h ALA 68 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 1wxm h ALA 68 Cb 1.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1wxm h ALA 68 CO 0.38 -0.06 1.51 -0.35 0.00 0.00 0.00 179.25 180.74 1wxm n PRO 69 N -4.75 2.15 0.00 0.00 -0.04 -1.26 -3.03 135.00 128.06 1wxm n PRO 69 Ca -0.05 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1wxm n PRO 69 Cb 0.21 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.29 0.22 -2.72 1.53 7.99 -1.26 -5.06 117.00 120.99 1wxm n LEU 70 Ca 0.46 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 56.07 1wxm n LEU 70 Cb 0.43 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.66 1wxm n LEU 70 CO 0.47 -0.13 1.07 -0.67 -1.51 0.00 0.00 177.39 176.62 1wxm n ASP 71 N -1.96 0.50 -0.69 -1.43 2.03 -1.17 -1.79 116.55 112.03 1wxm n ASP 71 Ca 0.00 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1wxm n ASP 71 Cb 0.06 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 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 4.58 0.80 0.00 0.27 0.00 -1.26 -5.10 105.19 104.47 1wxm n GLY 72 Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.69 0.00 -3.66 1.61 -0.00 -0.74 -5.16 120.64 111.99 1wxm n GLU 73 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 1wxm n GLU 73 Cb 0.25 0.00 -0.12 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 -1.36 0.19 0.02 3.44 2.02 -1.26 -4.21 118.70 117.54 1wxm s GLU 74 Ca 0.00 0.82 -0.00 0.00 0.02 0.00 0.00 54.97 55.81 1wxm s GLU 74 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 1wxm s GLU 74 CO 0.00 -0.27 0.12 -0.51 0.02 0.00 0.00 175.26 174.62 1wxm s LEU 75 N 2.45 4.06 -0.26 1.80 1.02 -1.21 -3.53 118.68 123.01 1wxm s LEU 75 Ca 0.00 0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.35 1wxm s LEU 75 Cb -0.12 -2.49 0.05 0.00 0.02 0.00 0.00 46.19 43.65 1wxm s LEU 75 CO -0.10 0.24 -0.09 -0.63 0.02 0.00 0.00 176.35 175.80 1wxm s ILE 76 N -1.31 2.42 -0.37 -0.59 1.01 0.13 -1.49 121.20 121.00 1wxm s ILE 76 Ca 0.27 -1.48 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 1wxm s ILE 76 Cb -0.12 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1wxm s ILE 76 CO 0.19 0.01 0.60 -0.69 0.00 0.00 0.00 174.94 175.04 1wxm s VAL 77 N 1.17 4.91 0.29 2.92 1.01 0.14 0.02 120.40 130.86 1wxm s VAL 77 Ca -0.06 0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.43 1wxm s VAL 77 Cb -0.19 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1wxm s VAL 77 CO -0.05 -0.34 -0.04 -1.61 0.00 0.00 0.00 175.10 173.07 1wxm s GLU 78 N 2.64 2.11 -0.21 2.72 2.02 0.12 -1.47 118.70 126.63 1wxm s GLU 78 Ca 0.22 -1.59 -0.04 0.00 0.02 0.00 0.00 54.97 53.58 1wxm s GLU 78 Cb -0.15 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1wxm s GLU 78 CO 0.15 0.28 -0.03 0.54 0.02 0.00 0.00 175.26 176.23 1wxm s VAL 79 N -2.42 3.60 0.07 2.63 0.11 -1.26 0.14 120.40 123.27 1wxm s VAL 79 Ca 0.32 -0.42 -0.31 0.00 -2.93 0.00 0.00 61.98 58.64 1wxm s VAL 79 Cb -0.04 -2.63 -0.10 0.00 -1.53 0.00 0.00 36.38 32.08 1wxm s VAL 79 CO 0.19 0.42 1.92 0.18 -3.33 0.00 0.00 175.10 174.48 1wxm n LEU 80 N 4.58 4.13 -3.15 2.54 4.77 0.39 -4.93 117.00 125.33 1wxm n LEU 80 Ca -0.18 0.94 0.04 0.00 -0.03 0.00 0.00 56.01 56.78 1wxm n LEU 80 Cb 0.51 -1.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1wxm n LEU 80 CO 0.30 0.20 0.14 -0.55 -1.33 0.00 0.00 177.39 176.15 1wxm s SER 81 N 3.78 -1.51 0.00 -1.43 0.15 -1.26 -4.88 113.70 108.55 1wxm s SER 81 Ca 0.86 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1wxm s SER 81 Cb -0.45 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.88 1wxm s SER 81 CO 0.40 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wxm n GLY 82 N 5.41 3.85 3.76 9.45 0.00 -1.26 -5.09 105.19 121.31 1wxm n GLY 82 Ca 0.04 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.49 4.65 0.20 1.61 0.04 -1.26 -5.05 135.00 131.70 1wxm s PRO 83 Ca 0.00 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1wxm s PRO 83 Cb 0.00 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1wxm s PRO 83 CO 0.00 0.23 -0.18 -1.54 0.04 0.00 0.00 177.00 175.56 1wxm s SER 84 N -0.94 2.86 0.37 6.66 1.04 -1.26 -5.02 113.70 117.41 1wxm s SER 84 Ca 0.45 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1wxm s SER 84 Cb -0.31 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1wxm s SER 84 CO 0.39 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 173.35 1wxm n SER 85 N -0.13 -3.34 0.00 7.02 7.64 -1.26 -5.30 113.62 118.26 1wxm n SER 85 Ca -0.10 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1wxm n SER 85 Cb 0.59 3.20 0.00 0.00 -1.01 0.00 0.00 64.21 66.98 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64