#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 6.58 -0.83 1.61 0.01 -1.26 -5.02 113.70 114.79 1wxm s SER 2 Ca 0.00 0.69 -0.18 0.00 1.31 0.00 0.00 55.95 57.77 1wxm s SER 2 Cb 0.00 -2.26 0.14 0.00 0.21 0.00 0.00 66.02 64.11 1wxm s SER 2 CO 0.00 -0.02 0.97 -0.44 0.41 0.00 0.00 173.24 174.16 1wxm s SER 3 N 0.75 6.55 0.00 2.44 0.01 -1.26 -4.74 113.70 117.45 1wxm s SER 3 Ca 0.23 -2.00 0.00 0.00 1.31 0.00 0.00 55.95 55.49 1wxm s SER 3 Cb -0.15 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1wxm s SER 3 CO 0.09 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.35 1wxm n GLY 4 N 5.12 0.77 3.49 3.44 0.00 -1.26 -5.06 105.19 111.69 1wxm n GLY 4 Ca 0.14 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.00 -0.09 -0.12 1.61 0.15 -1.26 -5.16 113.70 104.83 1wxm s SER 5 Ca 0.00 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.76 1wxm s SER 5 Cb 0.00 1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 65.34 1wxm s SER 5 CO 0.00 -0.02 -0.02 -0.44 1.20 0.00 0.00 173.24 173.96 1wxm s SER 6 N 1.42 4.99 -0.09 5.45 0.01 -1.26 -4.80 113.70 119.42 1wxm s SER 6 Ca -0.05 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 1wxm s SER 6 Cb -0.02 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1wxm s SER 6 CO -0.12 0.27 0.06 0.61 0.41 0.00 0.00 173.24 174.47 1wxm n GLY 7 N 2.84 -2.36 2.66 3.44 0.00 -1.26 -5.06 105.19 105.46 1wxm n GLY 7 Ca -0.18 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.05 -0.85 3.39 -0.02 0.00 -1.26 -5.14 105.19 101.26 1wxm n GLY 8 Ca 0.01 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 0.04 0.00 -0.02 2.61 -4.23 -1.26 -2.67 115.64 110.11 1wxm s THR 9 Ca 0.08 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1wxm s THR 9 Cb 0.12 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1wxm s THR 9 CO -0.06 0.00 0.12 -0.69 -0.54 0.00 0.00 174.62 173.46 1wxm s VAL 10 N -3.19 0.06 -0.11 2.29 1.01 0.14 -4.69 120.40 115.89 1wxm s VAL 10 Ca 0.35 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1wxm s VAL 10 Cb 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1wxm s VAL 10 CO 0.24 -0.25 0.58 -0.54 0.00 0.00 0.00 175.10 175.13 1wxm s LYS 11 N -0.86 4.35 -0.26 2.72 1.02 -1.26 0.12 119.74 125.57 1wxm s LYS 11 Ca -0.09 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1wxm s LYS 11 Cb -0.05 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1wxm s LYS 11 CO 0.01 0.05 -0.08 0.08 -0.92 0.00 0.00 175.35 174.49 1wxm s VAL 12 N 0.92 2.57 -0.35 3.17 1.01 0.15 -2.95 120.40 124.93 1wxm s VAL 12 Ca 0.31 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 1wxm s VAL 12 Cb -0.16 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1wxm s VAL 12 CO 0.13 0.07 1.03 -0.31 0.00 0.00 0.00 175.10 176.02 1wxm s TYR 13 N 1.22 3.10 0.59 5.22 2.02 0.34 0.21 117.35 130.05 1wxm s TYR 13 Ca -0.04 1.02 -0.07 0.00 -0.37 0.00 0.00 57.07 57.61 1wxm s TYR 13 Cb -0.18 -3.73 -0.00 0.00 -0.40 0.00 0.00 41.96 37.64 1wxm s TYR 13 CO -0.05 -0.82 0.91 -0.51 -1.57 0.00 0.00 175.55 173.51 1wxm s LEU 14 N 3.65 3.25 0.00 -1.29 1.43 0.15 0.50 118.68 126.38 1wxm s LEU 14 Ca 0.43 0.83 0.23 0.00 -1.03 0.00 0.00 54.13 54.59 1wxm s LEU 14 Cb -0.12 -3.69 1.11 0.00 0.03 0.00 0.00 46.19 43.53 1wxm s LEU 14 CO 0.18 -1.01 1.73 -0.81 0.23 0.00 0.00 176.35 176.67 1wxm n PRO 15 N -2.59 0.27 -0.97 1.29 -0.04 -0.61 -3.24 135.00 129.11 1wxm n PRO 15 Ca 0.04 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1wxm n PRO 15 Cb 0.57 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.32 6.50 -2.12 3.54 2.85 -1.26 -4.78 115.26 118.67 1wxm n ASN 16 Ca 0.10 -3.20 -0.04 0.00 -0.11 0.00 0.00 54.58 51.33 1wxm n ASN 16 Cb 0.19 -1.02 -0.01 0.00 1.24 0.00 0.00 39.78 40.19 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 0.05 -2.28 -4.65 1.20 4.76 -1.20 -4.86 118.16 111.18 1wxm n LYS 17 Ca 0.37 0.23 -0.29 0.00 -2.87 0.00 0.00 58.31 55.75 1wxm n LYS 17 Cb 0.64 -4.64 -0.09 0.00 -1.84 0.00 0.00 35.03 29.09 1wxm n LYS 17 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wxm s GLN 18 N -4.30 2.02 0.03 1.97 -0.21 -1.24 -5.00 119.66 112.93 1wxm s GLN 18 Ca 0.00 -2.22 -0.00 0.00 0.02 0.00 0.00 55.36 53.15 1wxm s GLN 18 Cb 0.00 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.61 1wxm s GLN 18 CO 0.00 -0.26 -0.03 -0.98 -2.12 0.00 0.00 175.29 171.90 1wxm s ARG 19 N -3.80 0.38 -0.04 2.91 1.70 -1.26 0.35 118.95 119.19 1wxm s ARG 19 Ca 0.21 -0.76 -0.01 0.00 -0.47 0.00 0.00 55.73 54.70 1wxm s ARG 19 Cb 0.05 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1wxm s ARG 19 CO 0.11 -0.06 0.08 -0.08 -1.08 0.00 0.00 175.30 174.26 1wxm s THR 20 N -2.06 -0.07 -0.26 4.99 -1.32 0.13 -4.91 115.64 112.14 1wxm s THR 20 Ca -0.10 0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 60.39 1wxm s THR 20 Cb -0.06 -0.15 -0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1wxm s THR 20 CO -0.03 0.10 0.72 -0.69 -2.21 0.00 0.00 174.62 172.50 1wxm s VAL 21 N 1.29 4.91 0.22 5.08 1.01 -1.26 0.31 120.40 131.96 1wxm s VAL 21 Ca -0.07 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.27 1wxm s VAL 21 Cb -0.12 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1wxm s VAL 21 CO -0.04 -0.04 0.09 -0.69 0.00 0.00 0.00 175.10 174.42 1wxm s VAL 22 N 2.67 4.06 0.35 2.92 1.01 0.12 -4.88 120.40 126.65 1wxm s VAL 22 Ca 0.30 -1.45 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 1wxm s VAL 22 Cb -0.15 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1wxm s VAL 22 CO 0.08 -0.25 0.76 -0.89 0.00 0.00 0.00 175.10 174.81 1wxm s THR 23 N -2.00 4.68 -0.42 3.92 2.01 -1.26 0.25 115.64 122.82 1wxm s THR 23 Ca 0.31 0.93 -0.16 0.00 0.31 0.00 0.00 61.69 63.07 1wxm s THR 23 Cb -0.08 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1wxm s THR 23 CO 0.22 -0.27 0.39 -0.69 -0.69 0.00 0.00 174.62 173.58 1wxm s VAL 24 N -2.09 5.15 -0.50 3.82 1.01 -1.09 -4.83 120.40 121.87 1wxm s VAL 24 Ca 0.54 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1wxm s VAL 24 Cb -0.10 -4.01 0.13 0.00 0.00 0.00 0.00 36.38 32.40 1wxm s VAL 24 CO 0.20 -0.39 0.26 -0.13 0.00 0.00 0.00 175.10 175.04 1wxm s ARG 25 N 1.97 2.04 -0.83 2.72 0.52 -1.26 -4.97 118.95 119.14 1wxm s ARG 25 Ca 0.09 -2.38 -0.22 0.00 -0.52 0.00 0.00 55.73 52.70 1wxm s ARG 25 Cb -0.18 -3.43 -0.19 0.00 0.52 0.00 0.00 34.95 31.67 1wxm s ARG 25 CO 0.12 -1.09 2.36 -0.25 0.02 0.00 0.00 175.30 176.46 1wxm n ASP 26 N 3.56 0.99 0.00 0.23 9.92 -1.26 -2.46 116.55 127.53 1wxm n ASP 26 Ca 0.05 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.12 1wxm n ASP 26 Cb 0.36 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 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 6.45 -0.71 3.49 0.44 0.00 -1.26 -4.98 105.19 108.61 1wxm n GLY 27 Ca 0.52 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.04 -2.50 1.61 0.00 -1.03 -4.76 117.12 109.40 1wxm n MET 28 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 57.70 57.20 1wxm n MET 28 Cb 0.00 -2.07 0.10 0.00 0.00 0.00 0.00 33.22 31.25 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 -2.28 4.36 0.19 3.17 0.01 -1.26 -2.19 113.70 115.71 1wxm s SER 29 Ca 0.63 -0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.77 1wxm s SER 29 Cb -0.21 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.83 1wxm s SER 29 CO 0.64 -1.85 1.41 0.58 0.41 0.00 0.00 173.24 174.43 1wxm h VAL 30 N -0.57 1.49 0.68 3.43 2.07 -0.02 -2.82 116.25 120.50 1wxm h VAL 30 Ca -0.38 -2.83 -0.03 0.00 0.82 0.00 0.00 66.70 64.27 1wxm h VAL 30 Cb 1.27 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1wxm h VAL 30 CO 0.43 0.79 -0.32 0.22 0.02 0.00 0.00 177.57 178.70 1wxm h TYR 31 N 0.00 -0.84 0.00 1.57 5.03 -1.70 0.75 116.97 121.78 1wxm h TYR 31 Ca -0.01 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1wxm h TYR 31 Cb 1.50 0.28 -0.00 0.00 1.55 0.00 0.00 36.73 40.06 1wxm h TYR 31 CO 0.00 -0.49 -0.03 -0.44 -1.32 0.00 0.00 178.16 175.88 1wxm h ASP 32 N -1.07 0.00 0.19 -2.11 3.32 -1.85 1.55 116.42 116.45 1wxm h ASP 32 Ca -0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1wxm h ASP 32 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1wxm h ASP 32 CO 0.15 0.03 -0.09 0.28 -1.72 0.00 0.00 179.24 177.89 1wxm h SER 33 N 0.00 -0.21 0.56 6.45 0.02 -1.20 -3.28 113.55 115.89 1wxm h SER 33 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wxm h SER 33 Cb 0.06 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1wxm h SER 33 CO 0.00 0.13 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.74 1wxm h LEU 34 N -0.81 0.00 -0.65 5.07 -0.00 0.72 -3.03 115.31 116.60 1wxm h LEU 34 Ca -0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 1wxm h LEU 34 Cb 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.74 1wxm h LEU 34 CO 0.04 0.01 -0.46 -0.78 -0.00 0.00 0.00 178.44 177.25 1wxm h ASP 35 N 0.00 -1.60 0.51 -0.43 3.58 0.22 0.39 116.42 119.08 1wxm h ASP 35 Ca -0.00 0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 1wxm h ASP 35 Cb 0.29 0.73 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1wxm h ASP 35 CO 0.00 -0.33 -0.24 0.50 -2.88 0.00 0.00 179.24 176.29 1wxm h LYS 36 N -0.20 -0.66 -1.28 0.28 3.64 -1.66 0.76 116.57 117.46 1wxm h LYS 36 Ca 0.18 0.04 0.37 0.00 -1.27 0.00 0.00 60.65 59.98 1wxm h LYS 36 Cb 0.55 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1wxm h LYS 36 CO -0.74 -0.41 1.12 0.00 -2.27 0.00 0.00 179.45 177.15 1wxm h ALA 37 N -0.26 3.18 0.00 5.00 0.00 -1.23 0.73 119.26 126.68 1wxm h ALA 37 Ca -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1wxm h ALA 37 Cb 0.55 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wxm h ALA 37 CO 0.11 -1.78 -0.64 1.28 0.00 0.00 0.00 179.25 178.22 1wxm n LEU 38 N -3.69 1.82 -0.30 0.00 4.77 0.12 -4.30 117.00 115.42 1wxm n LEU 38 Ca 0.28 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.93 1wxm n LEU 38 Cb 1.52 -0.88 0.17 0.00 -2.33 0.00 0.00 43.42 41.89 1wxm n LEU 38 CO 0.34 -0.36 0.76 0.11 -1.33 0.00 0.00 177.39 176.90 1wxm h LYS 39 N -1.00 0.03 -1.08 3.23 1.79 0.30 1.80 116.57 121.65 1wxm h LYS 39 Ca -0.05 -0.00 0.43 0.00 -2.18 0.00 0.00 60.65 58.84 1wxm h LYS 39 Cb 0.64 -0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.12 1wxm h LYS 39 CO -0.03 0.02 0.62 1.55 -1.08 0.00 0.00 179.45 180.53 1wxm n VAL 40 N -5.48 -0.37 -0.08 0.50 3.14 0.23 0.87 118.33 117.15 1wxm n VAL 40 Ca 0.15 1.93 -0.05 0.00 -2.96 0.00 0.00 64.34 63.41 1wxm n VAL 40 Cb 0.52 -3.15 -0.15 0.00 -1.06 0.00 0.00 33.84 30.00 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 -5.07 0.83 0.00 1.45 1.74 0.41 -4.99 116.66 111.03 1wxm n ARG 41 Ca 0.38 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1wxm n ARG 41 Cb 1.33 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 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 1.73 1.16 3.63 -0.13 0.00 0.51 -5.09 105.19 107.00 1wxm n GLY 42 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 2.27 -0.02 0.99 1.43 -0.63 -4.83 118.68 117.89 1wxm s LEU 43 Ca 0.00 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 1wxm s LEU 43 Cb 0.00 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1wxm s LEU 43 CO 0.00 -3.32 -0.11 0.21 0.23 0.00 0.00 176.35 173.36 1wxm s ASN 44 N -2.72 4.29 -0.24 2.29 2.47 -1.26 -4.20 114.94 115.58 1wxm s ASN 44 Ca 0.67 -0.19 -0.03 0.00 0.42 0.00 0.00 52.86 53.72 1wxm s ASN 44 Cb -0.23 -0.93 0.02 0.00 -1.45 0.00 0.00 41.25 38.66 1wxm s ASN 44 CO 0.60 0.31 2.62 1.67 -3.72 0.00 0.00 177.10 178.58 1wxm n GLN 45 N 1.89 1.91 0.00 0.43 -0.06 -1.26 -3.15 117.38 117.13 1wxm n GLN 45 Ca -0.16 -1.43 0.00 0.00 -2.00 0.00 0.00 57.00 53.41 1wxm n GLN 45 Cb 0.52 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 1wxm n GLN 45 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1wxm n ASP 46 N 1.19 0.00 -1.12 1.69 -0.08 -1.26 -4.82 116.55 112.15 1wxm n ASP 46 Ca 0.34 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.67 1wxm n ASP 46 Cb 0.63 0.11 0.22 0.00 2.34 0.00 0.00 41.12 44.43 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 -2.90 0.15 -0.09 0.00 0.11 0.15 -4.69 120.40 113.13 1wxm s VAL 49 Ca 0.26 -1.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1wxm s VAL 49 Cb -0.00 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1wxm s VAL 49 CO 0.10 -0.69 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.32 1wxm s VAL 50 N -2.94 1.51 -0.05 2.04 1.01 -1.25 0.06 120.40 120.78 1wxm s VAL 50 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1wxm s VAL 50 Cb 0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1wxm s VAL 50 CO -0.06 0.44 0.00 -0.31 0.00 0.00 0.00 175.10 175.17 1wxm s TYR 51 N 0.71 3.13 -0.02 5.22 2.02 0.12 -0.07 117.35 128.45 1wxm s TYR 51 Ca -0.13 0.14 0.07 0.00 -0.37 0.00 0.00 57.07 56.79 1wxm s TYR 51 Cb -0.16 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1wxm s TYR 51 CO 0.03 0.47 -0.24 1.03 -1.57 0.00 0.00 175.55 175.26 1wxm s ARG 52 N -1.19 2.14 -0.73 -0.62 0.52 0.14 0.13 118.95 119.33 1wxm s ARG 52 Ca 0.16 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.21 1wxm s ARG 52 Cb -0.11 -2.09 0.05 0.00 0.52 0.00 0.00 34.95 33.32 1wxm s ARG 52 CO 0.06 0.56 1.16 -0.51 0.02 0.00 0.00 175.30 176.59 1wxm s LEU 53 N -0.70 3.75 -0.11 2.53 2.01 -1.19 -0.02 118.68 124.95 1wxm s LEU 53 Ca 0.10 -0.80 -0.11 0.00 0.01 0.00 0.00 54.13 53.34 1wxm s LEU 53 Cb -0.10 -2.50 -0.04 0.00 0.01 0.00 0.00 46.19 43.56 1wxm s LEU 53 CO -0.00 -1.63 -0.22 -0.38 1.01 0.00 0.00 176.35 175.13 1wxm n ILE 54 N 6.19 0.97 -2.51 -0.59 -0.00 -1.24 -4.77 119.36 117.41 1wxm n ILE 54 Ca 0.03 0.27 -0.24 0.00 -0.00 0.00 0.00 62.75 62.81 1wxm n ILE 54 Cb 0.48 -2.02 0.01 0.00 -0.00 0.00 0.00 39.64 38.10 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 -3.75 3.00 -1.46 0.38 5.02 -1.26 -4.87 118.16 115.22 1wxm n LYS 55 Ca -0.09 -4.27 -0.15 0.00 -2.02 0.00 0.00 58.31 51.78 1wxm n LYS 55 Cb 0.32 -2.06 -0.06 0.00 -0.02 0.00 0.00 35.03 33.21 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wxm n GLY 56 N -0.40 1.48 3.03 0.72 0.00 -1.26 -4.98 105.19 103.78 1wxm n GLY 56 Ca 0.33 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.31 0.95 -0.55 1.61 1.81 -1.26 -5.07 118.95 113.13 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 -0.90 -0.08 0.00 -0.45 0.00 0.00 34.95 33.52 1wxm s ARG 57 CO 0.00 0.16 2.39 0.15 -0.68 0.00 0.00 175.30 177.32 1wxm s LYS 58 N 0.01 2.02 -0.60 3.54 1.02 -1.26 -3.71 119.74 120.75 1wxm s LYS 58 Ca -0.00 1.20 -0.18 0.00 0.02 0.00 0.00 55.97 57.00 1wxm s LYS 58 Cb -0.07 -4.62 0.11 0.00 -0.52 0.00 0.00 37.83 32.73 1wxm s LYS 58 CO 0.00 -3.49 0.69 0.99 -0.92 0.00 0.00 175.35 172.63 1wxm s THR 59 N 12.60 4.89 0.72 2.17 2.01 0.98 -4.75 115.64 134.26 1wxm s THR 59 Ca 0.95 -1.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 1wxm s THR 59 Cb -0.16 -4.48 -0.07 0.00 0.01 0.00 0.00 72.50 67.80 1wxm s THR 59 CO 0.22 -1.11 0.29 0.52 -0.69 0.00 0.00 174.62 173.86 1wxm n VAL 60 N 5.46 1.27 -4.32 3.82 0.31 -1.26 0.26 118.33 123.87 1wxm n VAL 60 Ca -0.08 -0.42 -0.20 0.00 -0.01 0.00 0.00 64.34 63.63 1wxm n VAL 60 Cb 0.42 -0.55 -0.11 0.00 -0.91 0.00 0.00 33.84 32.70 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 -1.95 1.68 0.38 2.52 -1.32 0.90 -4.72 115.64 113.14 1wxm s THR 61 Ca 0.61 -1.99 -0.14 0.00 -1.21 0.00 0.00 61.69 58.96 1wxm s THR 61 Cb -0.35 -1.86 -0.08 0.00 -1.51 0.00 0.00 72.50 68.70 1wxm s THR 61 CO 0.62 -0.44 0.80 0.00 -2.21 0.00 0.00 174.62 173.39 1wxm s ALA 62 N -2.42 3.27 -0.03 11.08 0.00 -1.26 -4.59 121.76 127.81 1wxm s ALA 62 Ca 0.17 0.02 0.14 0.00 0.00 0.00 0.00 51.96 52.28 1wxm s ALA 62 Cb -0.04 -2.83 0.11 0.00 0.00 0.00 0.00 23.12 20.37 1wxm s ALA 62 CO 0.06 0.13 1.46 -1.49 0.00 0.00 0.00 175.76 175.92 1wxm h TRP 63 N 1.73 0.00 -0.62 0.00 4.06 -1.97 -3.09 115.95 116.06 1wxm h TRP 63 Ca -0.48 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.10 1wxm h TRP 63 Cb 1.18 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 29.16 1wxm h TRP 63 CO 0.62 0.60 0.48 -3.47 -3.56 0.00 0.00 178.44 173.10 1wxm n ASP 64 N -3.32 5.18 -4.89 -3.49 2.03 -1.26 -2.40 116.55 108.41 1wxm n ASP 64 Ca 0.01 -3.13 -0.21 0.00 0.52 0.00 0.00 54.79 51.98 1wxm n ASP 64 Cb 0.74 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 1wxm n ASP 64 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1wxm s THR 65 N -2.52 3.67 0.44 5.18 2.01 -1.17 -4.95 115.64 118.29 1wxm s THR 65 Ca 0.38 -1.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1wxm s THR 65 Cb 0.31 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1wxm s THR 65 CO 0.03 -0.17 0.69 0.00 -0.69 0.00 0.00 174.62 174.48 1wxm s ALA 66 N -2.27 3.56 -0.33 7.40 0.00 -1.26 0.56 121.76 129.41 1wxm s ALA 66 Ca 0.42 -0.76 0.16 0.00 0.00 0.00 0.00 51.96 51.78 1wxm s ALA 66 Cb -0.07 -2.35 0.50 0.00 0.00 0.00 0.00 23.12 21.21 1wxm s ALA 66 CO 0.28 -0.28 1.41 1.51 0.00 0.00 0.00 175.76 178.68 1wxm n ILE 67 N -2.09 2.07 -0.05 0.00 0.13 -0.93 -4.44 119.36 114.04 1wxm n ILE 67 Ca -0.01 -1.70 -0.05 0.00 -1.10 0.00 0.00 62.75 59.89 1wxm n ILE 67 Cb 0.56 -0.12 -0.05 0.00 -0.84 0.00 0.00 39.64 39.20 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 1.95 -0.01 0.00 1.51 0.00 -1.81 -3.35 119.26 117.55 1wxm h ALA 68 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1wxm h ALA 68 Cb 1.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1wxm h ALA 68 CO 0.19 -0.01 -0.03 -0.35 0.00 0.00 0.00 179.25 179.05 1wxm n PRO 69 N -4.73 1.55 0.00 0.00 -0.04 -1.26 -3.21 135.00 127.30 1wxm n PRO 69 Ca -0.04 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1wxm n PRO 69 Cb 0.17 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.68 2.45 -3.88 1.53 7.99 -1.26 -4.99 117.00 121.51 1wxm n LEU 70 Ca 0.33 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.97 1wxm n LEU 70 Cb 0.67 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.85 1wxm n LEU 70 CO 0.18 0.40 1.91 -0.67 -1.51 0.00 0.00 177.39 177.70 1wxm n ASP 71 N -2.46 0.27 0.00 -1.43 -0.08 -1.20 -1.91 116.55 109.74 1wxm n ASP 71 Ca 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1wxm n ASP 71 Cb 0.45 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.12 1wxm n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wxm n GLY 72 N 5.66 0.82 2.76 0.27 0.00 -1.26 -5.13 105.19 108.30 1wxm n GLY 72 Ca 0.57 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.37 -3.78 1.61 0.28 -0.80 -5.13 120.64 113.19 1wxm n GLU 73 Ca 0.00 -0.92 -0.14 0.00 -0.16 0.00 0.00 57.16 55.94 1wxm n GLU 73 Cb 0.00 1.29 -0.15 0.00 1.43 0.00 0.00 31.44 34.00 1wxm n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wxm s GLU 74 N -2.03 0.00 -0.09 3.44 0.41 -1.26 -4.38 118.70 114.79 1wxm s GLU 74 Ca 0.18 0.20 -0.00 0.00 -0.41 0.00 0.00 54.97 54.94 1wxm s GLU 74 Cb -0.02 -0.19 -0.03 0.00 -1.78 0.00 0.00 34.13 32.11 1wxm s GLU 74 CO 0.03 -0.14 -0.07 -0.51 -0.49 0.00 0.00 175.26 174.08 1wxm s LEU 75 N 0.92 3.15 -0.30 1.80 1.43 -1.15 -3.20 118.68 121.34 1wxm s LEU 75 Ca -0.08 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1wxm s LEU 75 Cb -0.11 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.47 1wxm s LEU 75 CO -0.03 0.31 -0.01 -0.63 0.23 0.00 0.00 176.35 176.22 1wxm s ILE 76 N -0.48 2.85 -0.35 -0.59 1.01 0.12 -0.51 121.20 123.26 1wxm s ILE 76 Ca 0.07 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.06 1wxm s ILE 76 Cb -0.12 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 1wxm s ILE 76 CO 0.02 -0.13 0.59 -0.69 0.00 0.00 0.00 174.94 174.74 1wxm s VAL 77 N 1.22 4.94 0.03 2.92 1.01 0.18 0.10 120.40 130.80 1wxm s VAL 77 Ca -0.05 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1wxm s VAL 77 Cb -0.20 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1wxm s VAL 77 CO -0.02 -0.26 -0.09 -1.61 0.00 0.00 0.00 175.10 173.12 1wxm s GLU 78 N 2.59 0.63 0.25 2.72 2.02 0.11 -1.57 118.70 125.44 1wxm s GLU 78 Ca 0.22 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1wxm s GLU 78 Cb -0.15 -0.53 -0.10 0.00 0.10 0.00 0.00 34.13 33.46 1wxm s GLU 78 CO 0.14 0.12 1.34 0.08 0.02 0.00 0.00 175.26 176.96 1wxm s VAL 79 N -0.86 2.94 -0.64 2.63 1.01 -1.26 0.34 120.40 124.57 1wxm s VAL 79 Ca -0.03 0.82 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 1wxm s VAL 79 Cb -0.07 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 1wxm s VAL 79 CO 0.00 0.15 2.50 0.18 0.00 0.00 0.00 175.10 177.93 1wxm n LEU 80 N 2.06 1.72 -3.92 3.92 4.77 0.17 -4.82 117.00 120.90 1wxm n LEU 80 Ca 0.05 -0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1wxm n LEU 80 Cb 0.42 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.09 1wxm n LEU 80 CO 0.59 -1.30 0.29 -0.94 -1.33 0.00 0.00 177.39 174.70 1wxm s SER 81 N 11.14 -0.17 0.00 -1.43 1.04 -1.26 -4.97 113.70 118.05 1wxm s SER 81 Ca 1.10 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wxm s SER 81 Cb -0.52 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1wxm s SER 81 CO 0.34 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1wxm n GLY 82 N -0.40 0.15 3.75 7.32 0.00 -1.26 -5.06 105.19 109.68 1wxm n GLY 82 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.38 4.61 0.15 1.61 0.04 -1.26 -4.95 135.00 134.82 1wxm s PRO 83 Ca 0.00 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1wxm s PRO 83 Cb 0.00 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1wxm s PRO 83 CO 0.00 0.13 1.55 1.03 0.04 0.00 0.00 177.00 179.75 1wxm h SER 84 N 4.62 -1.83 -6.12 6.66 0.87 -2.05 -3.46 113.55 112.24 1wxm h SER 84 Ca -0.45 0.27 -0.26 0.00 -1.23 0.00 0.00 61.79 60.11 1wxm h SER 84 Cb 1.21 0.79 0.01 0.00 -0.44 0.00 0.00 62.40 63.97 1wxm h SER 84 CO 0.70 -0.34 -0.94 -1.20 -0.53 0.00 0.00 176.83 174.52 1wxm n SER 85 N -5.36 -6.32 0.00 6.23 7.64 -1.26 -5.18 113.62 109.36 1wxm n SER 85 Ca -0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wxm n SER 85 Cb 0.33 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64