#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 -7.36 -4.02 1.61 2.88 -1.26 -5.04 113.62 100.43 1wxm n SER 2 Ca 0.00 0.85 -0.08 0.00 -1.33 0.00 0.00 58.87 58.32 1wxm n SER 2 Cb 0.00 -3.88 -0.10 0.00 -0.75 0.00 0.00 64.21 59.48 1wxm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wxm s SER 3 N -1.57 0.37 0.16 -3.46 0.15 -1.26 -5.16 113.70 102.93 1wxm s SER 3 Ca 0.07 -0.83 -0.03 0.00 0.70 0.00 0.00 55.95 55.86 1wxm s SER 3 Cb -0.01 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1wxm s SER 3 CO 0.56 -0.57 0.36 -0.83 1.20 0.00 0.00 173.24 173.96 1wxm s GLY 4 N -2.64 2.06 -0.24 9.45 0.00 -1.26 -5.00 107.32 109.68 1wxm s GLY 4 Ca 0.03 -0.70 -0.41 0.00 0.00 0.00 0.00 44.72 43.64 1wxm s GLY 4 CO -0.08 -0.64 1.62 1.44 0.00 0.00 0.00 173.10 175.44 1wxm n SER 5 N -0.19 1.93 0.00 1.64 7.64 -1.26 -4.87 113.62 118.51 1wxm n SER 5 Ca -0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1wxm n SER 5 Cb 0.52 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1wxm n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wxm n SER 6 N 4.46 0.00 0.00 6.43 2.88 -1.26 -5.03 113.62 121.10 1wxm n SER 6 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wxm n SER 6 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1wxm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 7 N 0.00 1.93 2.55 0.46 0.00 -1.26 -4.82 105.19 104.05 1wxm n GLY 7 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 2.99 3.54 -0.02 0.00 -1.26 -4.73 105.19 105.70 1wxm n GLY 8 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 3.18 0.00 0.00 2.61 -4.23 -1.26 -3.05 115.64 112.88 1wxm s THR 9 Ca 0.39 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1wxm s THR 9 Cb 0.11 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 1wxm s THR 9 CO -0.03 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.34 1wxm s VAL 10 N -3.55 0.18 -0.14 2.29 1.01 0.15 -4.80 120.40 115.54 1wxm s VAL 10 Ca 0.26 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1wxm s VAL 10 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1wxm s VAL 10 CO 0.13 -0.03 0.78 -0.54 0.00 0.00 0.00 175.10 175.45 1wxm s LYS 11 N -0.26 4.33 -0.29 2.72 1.02 -1.26 0.01 119.74 126.01 1wxm s LYS 11 Ca -0.01 0.95 -0.05 0.00 0.02 0.00 0.00 55.97 56.88 1wxm s LYS 11 Cb -0.02 -3.54 0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1wxm s LYS 11 CO -0.00 -0.20 0.04 0.08 -0.92 0.00 0.00 175.35 174.34 1wxm s VAL 12 N 1.72 3.50 -0.38 3.17 1.01 0.14 -2.95 120.40 126.61 1wxm s VAL 12 Ca 0.37 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 1wxm s VAL 12 Cb -0.17 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1wxm s VAL 12 CO 0.14 0.02 0.94 -0.31 0.00 0.00 0.00 175.10 175.90 1wxm s TYR 13 N 1.40 3.06 0.45 5.22 2.02 -0.01 0.28 117.35 129.76 1wxm s TYR 13 Ca -0.00 0.77 -0.06 0.00 -0.37 0.00 0.00 57.07 57.41 1wxm s TYR 13 Cb -0.18 -3.70 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 1wxm s TYR 13 CO 0.00 -0.86 0.76 -0.51 -1.57 0.00 0.00 175.55 173.37 1wxm s LEU 14 N 3.54 3.71 -1.11 -1.29 1.43 0.15 0.30 118.68 125.42 1wxm s LEU 14 Ca 0.39 0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.24 1wxm s LEU 14 Cb -0.12 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 1wxm s LEU 14 CO 0.19 -0.51 2.05 -0.81 0.23 0.00 0.00 176.35 177.51 1wxm n PRO 15 N -1.98 2.16 0.00 1.29 -0.04 -0.66 -3.61 135.00 132.15 1wxm n PRO 15 Ca 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1wxm n PRO 15 Cb 0.55 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 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 7.14 0.00 -2.55 3.54 2.85 -1.26 -4.93 115.26 120.05 1wxm n ASN 16 Ca 0.50 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.93 1wxm n ASN 16 Cb 0.40 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.41 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 0.00 -2.64 -4.43 1.20 2.85 -1.24 -4.84 118.16 109.06 1wxm n LYS 17 Ca 0.00 0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 57.03 1wxm n LYS 17 Cb 0.00 -4.18 -0.10 0.00 -0.65 0.00 0.00 35.03 30.10 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 -4.84 1.77 0.01 -1.58 -0.21 -1.24 -5.02 119.66 108.54 1wxm s GLN 18 Ca 0.08 -1.66 -0.08 0.00 0.02 0.00 0.00 55.36 53.72 1wxm s GLN 18 Cb -0.05 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 32.11 1wxm s GLN 18 CO 0.10 0.35 0.16 -0.98 -2.12 0.00 0.00 175.29 172.79 1wxm s ARG 19 N -3.39 0.53 -0.04 2.91 1.70 -1.26 0.35 118.95 119.75 1wxm s ARG 19 Ca 0.29 -0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 55.10 1wxm s ARG 19 Cb -0.06 0.22 0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1wxm s ARG 19 CO 0.15 -0.13 0.07 -0.08 -1.08 0.00 0.00 175.30 174.23 1wxm s THR 20 N -1.60 -0.07 -0.06 4.99 -1.32 0.14 -4.92 115.64 112.81 1wxm s THR 20 Ca -0.13 0.23 -0.26 0.00 -1.21 0.00 0.00 61.69 60.32 1wxm s THR 20 Cb -0.06 -0.14 -0.03 0.00 -1.51 0.00 0.00 72.50 70.76 1wxm s THR 20 CO 0.01 0.09 0.81 -0.69 -2.21 0.00 0.00 174.62 172.63 1wxm s VAL 21 N 1.21 4.96 0.22 5.08 1.01 -1.26 0.24 120.40 131.87 1wxm s VAL 21 Ca -0.08 1.67 0.11 0.00 0.00 0.00 0.00 61.98 63.68 1wxm s VAL 21 Cb -0.13 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1wxm s VAL 21 CO -0.04 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.37 1wxm s VAL 22 N 1.11 2.62 0.24 2.92 1.01 0.10 -4.89 120.40 123.51 1wxm s VAL 22 Ca 0.42 -2.08 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 1wxm s VAL 22 Cb -0.19 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 1wxm s VAL 22 CO 0.20 -0.23 0.81 -0.89 0.00 0.00 0.00 175.10 174.99 1wxm s THR 23 N -2.00 4.41 -0.44 3.92 2.01 -1.26 0.29 115.64 122.57 1wxm s THR 23 Ca 0.25 1.55 -0.20 0.00 0.31 0.00 0.00 61.69 63.60 1wxm s THR 23 Cb -0.07 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.50 1wxm s THR 23 CO 0.13 0.25 0.62 -0.69 -0.69 0.00 0.00 174.62 174.25 1wxm s VAL 24 N -1.47 4.85 -0.29 3.82 1.01 -1.17 -4.86 120.40 122.28 1wxm s VAL 24 Ca 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1wxm s VAL 24 Cb -0.19 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.03 1wxm s VAL 24 CO 0.23 -0.61 -0.00 -0.13 0.00 0.00 0.00 175.10 174.59 1wxm s ARG 25 N 2.75 2.55 -0.91 2.72 0.52 -1.26 -4.97 118.95 120.34 1wxm s ARG 25 Ca 0.21 -1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 54.11 1wxm s ARG 25 Cb -0.15 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 1wxm s ARG 25 CO 0.18 -0.57 2.08 -0.40 0.02 0.00 0.00 175.30 176.60 1wxm n ASP 26 N 4.65 4.14 0.04 0.23 5.75 -1.26 -2.81 116.55 127.28 1wxm n ASP 26 Ca -0.14 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1wxm n ASP 26 Cb 0.44 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 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 4.05 -0.73 3.68 6.12 0.00 -1.26 -4.98 105.19 112.06 1wxm n GLY 27 Ca 0.48 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 1wxm n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wxm s MET 28 N -2.00 0.89 0.60 1.61 0.23 -1.12 -4.89 119.30 114.62 1wxm s MET 28 Ca 0.00 0.93 0.07 0.00 -1.03 0.00 0.00 55.69 55.66 1wxm s MET 28 Cb 0.00 -1.76 0.09 0.00 -1.53 0.00 0.00 34.83 31.63 1wxm s MET 28 CO 0.00 -2.52 0.83 -1.12 -2.03 0.00 0.00 175.02 170.17 1wxm s SER 29 N -3.17 4.95 0.05 -1.18 0.01 -1.26 -2.48 113.70 110.62 1wxm s SER 29 Ca 0.65 -0.69 -0.17 0.00 1.31 0.00 0.00 55.95 57.05 1wxm s SER 29 Cb -0.20 0.14 -0.17 0.00 0.21 0.00 0.00 66.02 66.01 1wxm s SER 29 CO 0.58 -1.43 1.26 0.58 0.41 0.00 0.00 173.24 174.64 1wxm h VAL 30 N 0.03 1.35 0.21 3.43 2.07 -0.91 -2.52 116.25 119.91 1wxm h VAL 30 Ca -0.32 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.42 1wxm h VAL 30 Cb 1.28 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 1wxm h VAL 30 CO 0.41 0.54 -0.32 0.22 0.02 0.00 0.00 177.57 178.44 1wxm h TYR 31 N 0.19 -0.87 0.00 1.57 3.20 -1.76 1.49 116.97 120.79 1wxm h TYR 31 Ca -0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1wxm h TYR 31 Cb 1.13 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.76 1wxm h TYR 31 CO 0.11 -0.44 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.75 1wxm h ASP 32 N -0.60 0.00 0.00 -2.11 3.32 -1.86 1.53 116.42 116.70 1wxm h ASP 32 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wxm h ASP 32 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1wxm h ASP 32 CO -0.13 0.00 -0.04 0.28 -1.72 0.00 0.00 179.24 177.63 1wxm h SER 33 N 0.00 0.00 0.39 6.45 0.02 -0.48 -3.32 113.55 116.61 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wxm h SER 33 CO 0.00 0.40 0.00 0.18 -1.14 0.00 0.00 176.83 176.27 1wxm n LEU 34 N -4.11 0.13 -0.14 5.07 7.99 0.49 -2.88 117.00 123.56 1wxm n LEU 34 Ca -0.01 0.54 -0.05 0.00 -0.01 0.00 0.00 56.01 56.48 1wxm n LEU 34 Cb 0.02 -0.53 0.01 0.00 -0.11 0.00 0.00 43.42 42.81 1wxm n LEU 34 CO 0.01 -0.40 0.70 -0.78 -1.51 0.00 0.00 177.39 175.42 1wxm h ASP 35 N 0.00 -0.75 0.02 -1.43 3.58 0.21 0.74 116.42 118.78 1wxm h ASP 35 Ca 0.00 0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1wxm h ASP 35 Cb 0.19 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1wxm h ASP 35 CO 0.00 -0.25 -0.01 0.50 -2.88 0.00 0.00 179.24 176.61 1wxm h LYS 36 N -0.13 -0.02 -1.95 0.28 3.64 -1.71 -0.72 116.57 115.95 1wxm h LYS 36 Ca 0.21 0.00 0.57 0.00 -1.27 0.00 0.00 60.65 60.16 1wxm h LYS 36 Cb 0.46 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 1wxm h LYS 36 CO -0.53 0.66 1.40 0.00 -2.27 0.00 0.00 179.45 178.71 1wxm n ALA 37 N -2.48 1.87 -0.08 5.00 0.00 -0.90 0.50 120.51 124.43 1wxm n ALA 37 Ca -0.09 0.66 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 1wxm n ALA 37 Cb 0.34 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.92 1.83 -0.35 0.00 4.77 0.20 -4.31 117.00 115.22 1wxm n LEU 38 Ca 0.44 0.57 0.03 0.00 -0.03 0.00 0.00 56.01 57.02 1wxm n LEU 38 Cb 2.00 -0.88 0.10 0.00 -2.33 0.00 0.00 43.42 42.31 1wxm n LEU 38 CO 0.44 -0.29 0.64 0.11 -1.33 0.00 0.00 177.39 176.96 1wxm h LYS 39 N -1.00 -0.01 -0.93 3.23 1.79 0.11 1.89 116.57 121.65 1wxm h LYS 39 Ca -0.09 0.00 0.34 0.00 -2.18 0.00 0.00 60.65 58.72 1wxm h LYS 39 Cb 0.73 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.21 1wxm h LYS 39 CO -0.05 -0.00 0.30 1.55 -1.08 0.00 0.00 179.45 180.17 1wxm n VAL 40 N -5.57 -0.39 -0.02 0.50 3.14 0.18 0.17 118.33 116.34 1wxm n VAL 40 Ca 0.13 1.95 0.01 0.00 -2.96 0.00 0.00 64.34 63.48 1wxm n VAL 40 Cb 0.46 -3.04 -0.13 0.00 -1.06 0.00 0.00 33.84 30.07 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 -5.21 0.65 0.00 1.45 1.74 0.48 -4.97 116.66 110.79 1wxm n ARG 41 Ca 0.30 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1wxm n ARG 41 Cb 1.00 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 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 1.45 1.05 3.73 -0.13 0.00 0.53 -5.09 105.19 106.73 1wxm n GLY 42 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 2.82 0.31 0.99 1.43 -0.63 -4.83 118.68 118.77 1wxm s LEU 43 Ca 0.00 1.86 0.10 0.00 -1.03 0.00 0.00 54.13 55.06 1wxm s LEU 43 Cb 0.00 -4.42 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 1wxm s LEU 43 CO 0.00 -2.45 -0.12 0.21 0.23 0.00 0.00 176.35 174.21 1wxm s ASN 44 N -3.19 3.51 -0.52 2.29 3.04 -1.26 -3.96 114.94 114.84 1wxm s ASN 44 Ca 0.63 -1.14 -0.02 0.00 0.04 0.00 0.00 52.86 52.37 1wxm s ASN 44 Cb -0.19 -0.30 0.32 0.00 -1.54 0.00 0.00 41.25 39.54 1wxm s ASN 44 CO 0.57 -0.15 2.09 0.00 -3.04 0.00 0.00 177.10 176.56 1wxm n GLN 45 N -0.70 2.31 0.02 0.43 3.00 -1.26 -3.80 117.38 117.38 1wxm n GLN 45 Ca -0.05 -2.53 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 1wxm n GLN 45 Cb 0.62 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.86 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 -0.24 0.17 -2.10 1.08 9.92 -1.26 -4.78 116.55 119.33 1wxm n ASP 46 Ca 0.48 0.06 -0.27 0.00 -0.53 0.00 0.00 54.79 54.52 1wxm n ASP 46 Cb 0.59 -0.03 0.10 0.00 -0.64 0.00 0.00 41.12 41.14 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 -3.92 0.07 -0.13 0.00 0.11 0.17 -4.72 120.40 111.97 1wxm s VAL 49 Ca 0.08 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1wxm s VAL 49 Cb 0.08 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1wxm s VAL 49 CO -0.09 -0.30 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.46 1wxm s VAL 50 N -1.87 2.04 -0.04 2.04 1.01 -1.25 0.08 120.40 122.41 1wxm s VAL 50 Ca -0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1wxm s VAL 50 Cb -0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1wxm s VAL 50 CO 0.01 0.55 0.06 -0.31 0.00 0.00 0.00 175.10 175.41 1wxm s TYR 51 N 0.72 3.26 -0.09 5.22 2.02 0.12 0.94 117.35 129.54 1wxm s TYR 51 Ca -0.10 0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1wxm s TYR 51 Cb -0.16 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1wxm s TYR 51 CO 0.00 0.54 0.09 1.03 -1.57 0.00 0.00 175.55 175.65 1wxm s ARG 52 N -1.44 3.26 -0.58 -0.62 0.52 0.13 0.03 118.95 120.25 1wxm s ARG 52 Ca 0.19 -0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 54.88 1wxm s ARG 52 Cb -0.12 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.37 1wxm s ARG 52 CO 0.10 0.74 1.06 -0.51 0.02 0.00 0.00 175.30 176.71 1wxm s LEU 53 N -1.11 3.79 -0.40 2.53 2.01 -0.96 0.15 118.68 124.69 1wxm s LEU 53 Ca 0.16 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 54.13 1wxm s LEU 53 Cb -0.12 -2.94 0.12 0.00 0.01 0.00 0.00 46.19 43.26 1wxm s LEU 53 CO 0.05 -1.37 0.17 -0.63 1.01 0.00 0.00 176.35 175.58 1wxm s ILE 54 N 4.46 1.67 -1.23 -0.59 1.09 -1.11 -4.73 121.20 120.75 1wxm s ILE 54 Ca 0.35 -2.38 -0.05 0.00 -1.10 0.00 0.00 60.65 57.47 1wxm s ILE 54 Cb -0.10 -2.20 0.01 0.00 -1.06 0.00 0.00 42.46 39.10 1wxm s ILE 54 CO 0.21 -0.77 0.73 0.29 -0.10 0.00 0.00 174.94 175.30 1wxm n LYS 55 N 3.91 -5.27 -2.79 2.79 5.02 -1.26 -2.82 118.16 117.74 1wxm n LYS 55 Ca 0.04 0.74 -0.10 0.00 -2.02 0.00 0.00 58.31 56.97 1wxm n LYS 55 Cb 0.37 -5.33 0.05 0.00 -0.02 0.00 0.00 35.03 30.10 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 -1.57 -0.09 2.92 0.72 0.00 -1.26 -5.04 105.19 100.87 1wxm n GLY 56 Ca -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.62 0.34 -0.24 1.61 1.81 -1.13 -5.10 118.95 111.61 1wxm s ARG 57 Ca 0.05 0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 54.29 1wxm s ARG 57 Cb -0.01 -0.50 -0.07 0.00 -0.45 0.00 0.00 34.95 33.93 1wxm s ARG 57 CO 0.43 -0.63 2.20 1.63 -0.68 0.00 0.00 175.30 178.26 1wxm n LYS 58 N 5.36 1.74 -3.72 3.54 4.01 -1.25 -2.76 118.16 125.09 1wxm n LYS 58 Ca -0.04 0.48 -0.37 0.00 -0.51 0.00 0.00 58.31 57.87 1wxm n LYS 58 Cb 0.50 -3.01 -0.10 0.00 -0.51 0.00 0.00 35.03 31.91 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 7.86 3.59 0.46 -0.18 2.01 0.12 -4.77 115.64 124.74 1wxm s THR 59 Ca 1.03 -2.23 -0.18 0.00 0.31 0.00 0.00 61.69 60.61 1wxm s THR 59 Cb -0.49 -3.41 -0.15 0.00 0.01 0.00 0.00 72.50 68.46 1wxm s THR 59 CO 0.40 -0.76 -0.06 0.52 -0.69 0.00 0.00 174.62 174.03 1wxm n VAL 60 N 4.38 0.17 -4.41 3.82 0.31 -1.26 0.19 118.33 121.52 1wxm n VAL 60 Ca -0.01 -0.49 -0.21 0.00 -0.01 0.00 0.00 64.34 63.63 1wxm n VAL 60 Cb 0.40 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.23 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 -1.86 1.65 0.46 2.52 -1.32 0.27 -4.67 115.64 112.69 1wxm s THR 61 Ca 0.56 -2.14 -0.02 0.00 -1.21 0.00 0.00 61.69 58.88 1wxm s THR 61 Cb -0.52 -2.36 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 1wxm s THR 61 CO 0.63 -0.36 0.70 0.00 -2.21 0.00 0.00 174.62 173.39 1wxm s ALA 62 N -3.01 3.60 -0.19 11.08 0.00 -1.26 -4.57 121.76 127.40 1wxm s ALA 62 Ca 0.28 -0.86 0.22 0.00 0.00 0.00 0.00 51.96 51.60 1wxm s ALA 62 Cb 0.03 -2.30 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1wxm s ALA 62 CO 0.11 -0.36 0.93 0.91 0.00 0.00 0.00 175.76 177.35 1wxm n TRP 63 N -2.13 0.81 -0.47 0.00 7.02 -1.26 -3.66 117.44 117.75 1wxm n TRP 63 Ca 0.00 0.24 0.02 0.00 -1.02 0.00 0.00 57.50 56.75 1wxm n TRP 63 Cb 0.57 -0.90 0.29 0.00 -2.42 0.00 0.00 31.31 28.85 1wxm n TRP 63 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1wxm n ASP 64 N -2.63 4.48 -4.95 -0.99 8.00 -1.26 -3.11 116.55 116.10 1wxm n ASP 64 Ca -0.02 -2.77 -0.23 0.00 0.71 0.00 0.00 54.79 52.48 1wxm n ASP 64 Cb 0.58 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1wxm n ASP 64 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1wxm s THR 65 N -2.36 5.17 0.31 -3.53 2.01 -1.24 -4.97 115.64 111.02 1wxm s THR 65 Ca 0.42 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1wxm s THR 65 Cb 0.32 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 1wxm s THR 65 CO 0.12 -0.44 0.61 0.00 -0.69 0.00 0.00 174.62 174.22 1wxm s ALA 66 N -2.15 3.55 -0.73 7.40 0.00 -1.26 -0.37 121.76 128.19 1wxm s ALA 66 Ca 0.38 -0.43 0.17 0.00 0.00 0.00 0.00 51.96 52.07 1wxm s ALA 66 Cb -0.10 -2.42 0.73 0.00 0.00 0.00 0.00 23.12 21.33 1wxm s ALA 66 CO 0.33 0.21 1.64 1.51 0.00 0.00 0.00 175.76 179.45 1wxm n ILE 67 N -0.92 2.17 -0.00 0.00 0.13 -1.03 -4.41 119.36 115.30 1wxm n ILE 67 Ca -0.00 -1.33 -0.07 0.00 -1.10 0.00 0.00 62.75 60.24 1wxm n ILE 67 Cb 0.54 -0.03 -0.06 0.00 -0.84 0.00 0.00 39.64 39.25 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 3.78 -0.11 0.00 1.51 0.00 -1.77 -3.34 119.26 119.32 1wxm h ALA 68 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.38 1wxm h ALA 68 Cb 1.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1wxm h ALA 68 CO 0.31 -0.14 1.55 -0.35 0.00 0.00 0.00 179.25 180.63 1wxm n PRO 69 N -4.81 2.16 -2.39 0.00 -0.04 -1.26 -3.79 135.00 124.87 1wxm n PRO 69 Ca -0.05 -1.28 0.01 0.00 -0.04 0.00 0.00 63.50 62.14 1wxm n PRO 69 Cb 0.22 -2.25 0.04 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.31 1.22 -4.54 1.53 7.99 -1.25 -5.04 117.00 120.20 1wxm n LEU 70 Ca 0.46 -2.70 -0.41 0.00 -0.01 0.00 0.00 56.01 53.35 1wxm n LEU 70 Cb 0.42 0.31 -0.03 0.00 -0.11 0.00 0.00 43.42 44.01 1wxm n LEU 70 CO 0.47 0.91 1.16 -0.62 -1.51 0.00 0.00 177.39 177.80 1wxm s ASP 71 N -3.09 6.18 0.00 -1.43 2.15 -1.25 -4.25 116.67 114.98 1wxm s ASP 71 Ca 0.28 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1wxm s ASP 71 Cb 0.34 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1wxm s ASP 71 CO -0.08 -1.80 0.00 0.61 -0.17 0.00 0.00 175.17 173.73 1wxm n GLY 72 N 5.46 -1.53 0.00 2.66 0.00 -1.26 -5.13 105.19 105.39 1wxm n GLY 72 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.12 0.00 -3.65 1.61 -0.00 -1.26 -5.11 120.64 112.11 1wxm n GLU 73 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.08 1wxm n GLU 73 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.35 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 -1.30 0.33 -0.10 3.44 0.41 -1.26 -4.33 118.70 115.89 1wxm s GLU 74 Ca 0.00 1.05 -0.11 0.00 -0.41 0.00 0.00 54.97 55.50 1wxm s GLU 74 Cb 0.00 0.35 -0.05 0.00 -1.78 0.00 0.00 34.13 32.65 1wxm s GLU 74 CO 0.00 -0.25 0.25 -0.51 -0.49 0.00 0.00 175.26 174.25 1wxm s LEU 75 N 2.62 4.38 -0.31 1.80 1.43 -1.15 -2.27 118.68 125.18 1wxm s LEU 75 Ca -0.02 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1wxm s LEU 75 Cb -0.12 -2.28 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1wxm s LEU 75 CO -0.13 0.31 0.01 -0.63 0.23 0.00 0.00 176.35 176.15 1wxm s ILE 76 N -0.68 3.08 -0.42 -0.59 1.01 0.10 -0.83 121.20 122.87 1wxm s ILE 76 Ca 0.17 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.26 1wxm s ILE 76 Cb -0.13 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.58 1wxm s ILE 76 CO 0.06 -0.12 0.59 -0.69 0.00 0.00 0.00 174.94 174.78 1wxm s VAL 77 N 1.27 4.90 0.10 2.92 1.01 0.15 0.14 120.40 130.89 1wxm s VAL 77 Ca -0.05 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1wxm s VAL 77 Cb -0.20 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wxm s VAL 77 CO -0.01 -0.51 -0.21 -1.61 0.00 0.00 0.00 175.10 172.77 1wxm s GLU 78 N 2.63 1.13 0.25 2.72 2.02 0.11 -1.66 118.70 125.90 1wxm s GLU 78 Ca 0.20 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 1wxm s GLU 78 Cb -0.15 -1.39 -0.09 0.00 0.10 0.00 0.00 34.13 32.59 1wxm s GLU 78 CO 0.17 0.32 1.00 0.08 0.02 0.00 0.00 175.26 176.86 1wxm s VAL 79 N -1.17 3.84 0.22 2.63 1.01 -1.26 0.44 120.40 126.11 1wxm s VAL 79 Ca 0.07 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1wxm s VAL 79 Cb -0.10 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1wxm s VAL 79 CO 0.04 0.44 1.15 -0.76 0.00 0.00 0.00 175.10 175.98 1wxm s LEU 80 N -1.27 4.49 0.51 3.92 1.43 0.13 -4.72 118.68 123.16 1wxm s LEU 80 Ca 0.42 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1wxm s LEU 80 Cb -0.28 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1wxm s LEU 80 CO 0.36 -0.28 0.00 -1.20 0.23 0.00 0.00 176.35 175.46 1wxm n SER 81 N 1.97 -8.60 -3.47 2.29 7.64 -1.26 -4.87 113.62 107.32 1wxm n SER 81 Ca 0.02 1.24 -0.25 0.00 1.01 0.00 0.00 58.87 60.89 1wxm n SER 81 Cb 0.45 -4.75 -0.12 0.00 -1.01 0.00 0.00 64.21 58.77 1wxm n SER 81 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wxm s GLY 82 N -3.26 0.40 -0.04 0.23 0.00 -1.26 -5.00 107.32 98.38 1wxm s GLY 82 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 43.35 1wxm s GLY 82 CO 0.00 2.27 1.07 -0.56 0.00 0.00 0.00 173.10 175.88 1wxm h PRO 83 N 7.85 0.20 -7.13 2.90 0.13 -2.00 -3.46 132.00 130.49 1wxm h PRO 83 Ca -0.09 -0.19 -0.48 0.00 -0.87 0.00 0.00 66.00 64.37 1wxm h PRO 83 Cb 1.02 0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.23 1wxm h PRO 83 CO 0.34 0.90 0.38 0.45 -0.23 0.00 0.00 178.00 179.84 1wxm s SER 84 N -6.30 6.24 -0.20 1.44 0.15 -1.26 -4.60 113.70 109.17 1wxm s SER 84 Ca -0.16 1.82 -0.10 0.00 0.70 0.00 0.00 55.95 58.21 1wxm s SER 84 Cb 0.01 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1wxm s SER 84 CO 0.74 -0.85 0.20 -1.20 1.20 0.00 0.00 173.24 173.33 1wxm n SER 85 N -1.41 -1.63 0.00 5.45 7.64 -1.26 -5.23 113.62 117.18 1wxm n SER 85 Ca 0.08 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1wxm n SER 85 Cb 0.53 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64