#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 1.99 1.19 1.61 0.15 -1.26 -5.14 113.70 112.23 1wxm s SER 2 Ca 0.00 -0.79 -0.14 0.00 0.70 0.00 0.00 55.95 55.73 1wxm s SER 2 Cb 0.00 -0.07 0.29 0.00 -1.71 0.00 0.00 66.02 64.53 1wxm s SER 2 CO 0.00 -0.13 1.02 -0.55 1.20 0.00 0.00 173.24 174.78 1wxm s SER 3 N -2.37 0.82 -0.84 5.45 0.15 -1.26 -4.75 113.70 110.90 1wxm s SER 3 Ca 0.08 1.38 -0.26 0.00 0.70 0.00 0.00 55.95 57.85 1wxm s SER 3 Cb -0.06 -2.14 -0.15 0.00 -1.71 0.00 0.00 66.02 61.96 1wxm s SER 3 CO 0.03 -4.28 2.34 -0.83 1.20 0.00 0.00 173.24 171.70 1wxm s GLY 4 N -2.66 -0.83 0.00 9.45 0.00 -1.26 -4.50 107.32 107.52 1wxm s GLY 4 Ca 0.68 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1wxm s GLY 4 CO 0.64 4.21 0.00 -1.14 0.00 0.00 0.00 173.10 176.81 1wxm n SER 5 N 18.66 0.00 -3.14 1.64 3.41 -1.26 -5.10 113.62 127.82 1wxm n SER 5 Ca 0.46 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.91 1wxm n SER 5 Cb 0.44 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1wxm n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wxm s SER 6 N 0.00 0.21 0.00 4.04 1.04 -1.26 -4.98 113.70 112.74 1wxm s SER 6 Ca 0.00 -2.24 0.00 0.00 0.48 0.00 0.00 55.95 54.19 1wxm s SER 6 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1wxm s SER 6 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1wxm n GLY 7 N 3.17 -1.80 0.00 7.32 0.00 -1.26 -4.77 105.19 107.85 1wxm n GLY 7 Ca 0.22 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 0.17 3.59 -0.02 0.00 -1.26 -5.08 105.19 102.59 1wxm n GLY 8 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.99 0.00 0.02 2.61 -4.23 -1.26 -2.89 115.64 108.90 1wxm s THR 9 Ca 0.00 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1wxm s THR 9 Cb 0.00 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 1wxm s THR 9 CO 0.00 0.00 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.35 1wxm s VAL 10 N -3.59 0.20 -0.14 2.29 1.01 0.14 -4.58 120.40 115.73 1wxm s VAL 10 Ca 0.24 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1wxm s VAL 10 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1wxm s VAL 10 CO 0.12 -0.43 0.40 -0.54 0.00 0.00 0.00 175.10 174.64 1wxm s LYS 11 N -1.37 4.30 -0.26 2.72 1.02 -1.26 0.01 119.74 124.90 1wxm s LYS 11 Ca -0.13 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.16 1wxm s LYS 11 Cb -0.09 -3.44 0.05 0.00 -0.52 0.00 0.00 37.83 33.83 1wxm s LYS 11 CO -0.01 0.18 -0.09 0.08 -0.92 0.00 0.00 175.35 174.59 1wxm s VAL 12 N 0.61 2.36 -0.27 3.17 1.01 0.15 -3.09 120.40 124.33 1wxm s VAL 12 Ca 0.22 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 1wxm s VAL 12 Cb -0.14 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1wxm s VAL 12 CO 0.07 0.02 1.05 -0.31 0.00 0.00 0.00 175.10 175.94 1wxm s TYR 13 N 1.16 3.25 0.42 5.22 2.02 0.04 0.27 117.35 129.73 1wxm s TYR 13 Ca -0.07 1.33 -0.02 0.00 -0.37 0.00 0.00 57.07 57.95 1wxm s TYR 13 Cb -0.19 -3.47 -0.03 0.00 -0.40 0.00 0.00 41.96 37.87 1wxm s TYR 13 CO -0.05 -0.62 0.67 -0.51 -1.57 0.00 0.00 175.55 173.47 1wxm s LEU 14 N 3.41 3.79 -1.21 -1.29 1.43 0.15 0.00 118.68 124.96 1wxm s LEU 14 Ca 0.44 0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 53.97 1wxm s LEU 14 Cb -0.14 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1wxm s LEU 14 CO 0.11 -0.49 1.89 -0.81 0.23 0.00 0.00 176.35 177.27 1wxm n PRO 15 N -2.04 2.36 0.00 1.29 -0.04 -0.84 -3.51 135.00 132.22 1wxm n PRO 15 Ca -0.02 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1wxm n PRO 15 Cb 0.56 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 1wxm n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1wxm n ASN 16 N 10.40 0.00 -1.90 3.54 0.23 -1.26 -4.91 115.26 121.36 1wxm n ASN 16 Ca 0.48 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.46 1wxm n ASN 16 Cb 0.45 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.13 1wxm n ASN 16 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1wxm n LYS 17 N 0.00 -1.94 -4.16 -3.83 4.76 -1.23 -4.88 118.16 106.88 1wxm n LYS 17 Ca 0.00 0.36 -0.23 0.00 -2.87 0.00 0.00 58.31 55.57 1wxm n LYS 17 Cb 0.00 -4.72 -0.07 0.00 -1.84 0.00 0.00 35.03 28.40 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 -3.92 2.36 0.02 1.97 -1.52 -1.23 -5.00 119.66 112.33 1wxm s GLN 18 Ca 0.00 -1.52 -0.12 0.00 -1.95 0.00 0.00 55.36 51.77 1wxm s GLN 18 Cb 0.00 -2.17 0.01 0.00 -0.22 0.00 0.00 33.01 30.64 1wxm s GLN 18 CO 0.00 0.17 0.25 -0.98 -0.25 0.00 0.00 175.29 174.49 1wxm s ARG 19 N -3.80 0.69 -0.02 2.91 3.03 -1.26 0.35 118.95 120.85 1wxm s ARG 19 Ca 0.36 -0.44 0.00 0.00 2.03 0.00 0.00 55.73 57.69 1wxm s ARG 19 Cb -0.03 0.30 0.02 0.00 -1.03 0.00 0.00 34.95 34.20 1wxm s ARG 19 CO 0.22 -0.20 0.00 -0.08 -1.13 0.00 0.00 175.30 174.11 1wxm s THR 20 N -2.04 0.09 -0.18 4.99 -1.32 0.14 -4.91 115.64 112.41 1wxm s THR 20 Ca -0.09 0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 60.26 1wxm s THR 20 Cb -0.03 -0.16 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 1wxm s THR 20 CO -0.01 0.09 0.61 -0.69 -2.21 0.00 0.00 174.62 172.42 1wxm s VAL 21 N 0.68 5.05 0.24 5.08 1.01 -1.26 0.29 120.40 131.49 1wxm s VAL 21 Ca -0.06 1.18 0.10 0.00 0.00 0.00 0.00 61.98 63.19 1wxm s VAL 21 Cb -0.09 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wxm s VAL 21 CO -0.02 0.15 -0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1wxm s VAL 22 N 1.65 3.19 0.29 2.92 1.01 0.10 -4.90 120.40 124.66 1wxm s VAL 22 Ca 0.29 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 1wxm s VAL 22 Cb -0.16 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1wxm s VAL 22 CO 0.11 -0.30 0.72 -0.89 0.00 0.00 0.00 175.10 174.75 1wxm s THR 23 N -2.16 4.67 -0.44 3.92 2.01 -1.26 0.27 115.64 122.64 1wxm s THR 23 Ca 0.29 1.01 -0.22 0.00 0.31 0.00 0.00 61.69 63.07 1wxm s THR 23 Cb -0.07 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1wxm s THR 23 CO 0.17 -0.07 0.75 -0.69 -0.69 0.00 0.00 174.62 174.09 1wxm s VAL 24 N -1.85 4.70 0.00 3.82 1.01 -1.14 -4.83 120.40 122.10 1wxm s VAL 24 Ca 0.51 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1wxm s VAL 24 Cb -0.12 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1wxm s VAL 24 CO 0.18 -0.68 0.00 0.54 0.00 0.00 0.00 175.10 175.15 1wxm n ARG 25 N 6.59 3.86 0.00 2.72 1.74 -1.26 -4.98 116.66 125.32 1wxm n ARG 25 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1wxm n ARG 25 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1wxm n ARG 25 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wxm n ASP 26 N 0.00 0.00 -2.83 0.55 -0.08 -1.26 -4.37 116.55 108.56 1wxm n ASP 26 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1wxm n ASP 26 Cb 0.00 0.25 -0.06 0.00 2.34 0.00 0.00 41.12 43.65 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wxm n GLY 27 N -0.68 3.21 3.62 0.27 0.00 -1.26 -4.72 105.19 105.63 1wxm n GLY 27 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 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 2.37 0.13 0.00 1.61 0.23 -1.26 -5.15 119.30 117.24 1wxm s MET 28 Ca 0.52 -0.06 0.00 0.00 -1.03 0.00 0.00 55.69 55.12 1wxm s MET 28 Cb 0.17 0.06 0.00 0.00 -1.53 0.00 0.00 34.83 33.53 1wxm s MET 28 CO -0.03 -0.06 0.00 -1.13 -2.03 0.00 0.00 175.02 171.77 1wxm n SER 29 N -0.14 0.51 0.07 -1.18 3.41 -1.26 -3.17 113.62 111.85 1wxm n SER 29 Ca 0.01 -0.75 -0.19 0.00 -0.26 0.00 0.00 58.87 57.68 1wxm n SER 29 Cb 0.58 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.19 1.33 0.79 -3.33 2.07 -1.28 -2.67 116.25 113.35 1wxm h VAL 30 Ca 0.00 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.04 1wxm h VAL 30 Cb 0.00 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1wxm h VAL 30 CO 0.00 0.74 -0.46 0.22 0.02 0.00 0.00 177.57 178.09 1wxm h TYR 31 N 0.28 -1.23 0.00 1.57 3.20 -1.74 1.51 116.97 120.57 1wxm h TYR 31 Ca -0.14 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 1wxm h TYR 31 Cb 1.77 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 40.47 1wxm h TYR 31 CO 0.09 -0.70 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.47 1wxm h ASP 32 N -1.17 0.00 0.00 -2.11 5.19 -1.86 1.74 116.42 118.21 1wxm h ASP 32 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1wxm h ASP 32 Cb 0.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1wxm h ASP 32 CO 0.12 0.00 -0.04 0.28 -3.12 0.00 0.00 179.24 176.48 1wxm h SER 33 N 0.00 0.00 0.59 6.45 0.02 -0.91 -3.33 113.55 116.38 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 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1wxm h SER 33 CO 0.00 0.39 0.00 -0.07 -1.14 0.00 0.00 176.83 176.01 1wxm h LEU 34 N -0.73 0.00 -0.84 5.07 -0.00 0.23 -3.15 115.31 115.89 1wxm h LEU 34 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 1wxm h LEU 34 Cb 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.57 1wxm h LEU 34 CO 0.00 0.00 -0.44 -0.78 -0.00 0.00 0.00 178.44 177.22 1wxm h ASP 35 N 0.00 -1.57 0.55 -0.43 3.58 0.25 0.36 116.42 119.16 1wxm h ASP 35 Ca 0.00 0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 1wxm h ASP 35 Cb 0.30 0.76 0.01 0.00 1.72 0.00 0.00 39.33 42.11 1wxm h ASP 35 CO 0.00 -0.29 -0.26 0.11 -2.88 0.00 0.00 179.24 175.91 1wxm h LYS 36 N -0.08 -0.71 -1.90 0.28 1.79 -1.74 0.60 116.57 114.81 1wxm h LYS 36 Ca 0.25 0.05 0.56 0.00 -2.18 0.00 0.00 60.65 59.33 1wxm h LYS 36 Cb 0.55 0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.27 1wxm h LYS 36 CO -0.86 -0.41 1.35 0.00 -1.08 0.00 0.00 179.45 178.45 1wxm n ALA 37 N -2.51 1.83 -0.02 3.86 0.00 -0.18 0.13 120.51 123.61 1wxm n ALA 37 Ca -0.12 0.68 -0.02 0.00 0.00 0.00 0.00 53.44 53.98 1wxm n ALA 37 Cb 0.33 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 1wxm n ALA 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wxm h LEU 38 N 0.00 0.00 -0.99 0.00 3.38 0.27 -3.36 115.31 114.61 1wxm h LEU 38 Ca 0.93 0.00 0.17 0.00 0.09 0.00 0.00 57.88 59.07 1wxm h LEU 38 Cb 3.65 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 44.23 1wxm h LEU 38 CO -0.06 0.26 -0.34 0.29 0.09 0.00 0.00 178.44 178.68 1wxm n LYS 39 N -3.09 -0.18 -0.34 1.13 5.02 0.20 0.20 118.16 121.10 1wxm n LYS 39 Ca -0.02 1.53 0.17 0.00 -2.02 0.00 0.00 58.31 57.96 1wxm n LYS 39 Cb 0.09 -2.27 0.32 0.00 -0.02 0.00 0.00 35.03 33.15 1wxm n LYS 39 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1wxm n VAL 40 N -5.51 -0.42 0.01 -0.18 3.14 0.35 0.99 118.33 116.72 1wxm n VAL 40 Ca 0.12 2.18 -0.12 0.00 -2.96 0.00 0.00 64.34 63.56 1wxm n VAL 40 Cb 0.43 -3.22 -0.14 0.00 -1.06 0.00 0.00 33.84 29.85 1wxm n VAL 40 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1wxm h ARG 41 N 0.00 0.09 0.00 1.45 3.08 0.18 -3.48 114.38 115.69 1wxm h ARG 41 Ca 0.63 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1wxm h ARG 41 Cb 1.35 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1wxm h ARG 41 CO -0.92 0.80 0.00 0.41 -1.07 0.00 0.00 179.97 179.19 1wxm n GLY 42 N 1.60 1.27 3.39 0.04 0.00 0.54 -5.11 105.19 106.92 1wxm n GLY 42 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.93 0.99 4.77 -0.73 -4.85 117.00 113.25 1wxm n LEU 43 Ca 0.00 -1.11 -0.09 0.00 -0.03 0.00 0.00 56.01 54.78 1wxm n LEU 43 Cb 0.00 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.02 1wxm n LEU 43 CO 0.00 -2.19 -0.20 0.21 -1.33 0.00 0.00 177.39 173.89 1wxm s ASN 44 N -4.28 0.19 -0.29 -1.43 2.47 -1.26 -4.18 114.94 106.17 1wxm s ASN 44 Ca 0.69 -0.60 -0.01 0.00 0.42 0.00 0.00 52.86 53.36 1wxm s ASN 44 Cb -0.07 0.25 0.19 0.00 -1.45 0.00 0.00 41.25 40.17 1wxm s ASN 44 CO 0.53 -0.57 2.04 0.00 -3.72 0.00 0.00 177.10 175.38 1wxm n GLN 45 N 0.51 1.73 0.00 0.43 3.00 -1.26 -3.38 117.38 118.41 1wxm n GLN 45 Ca -0.17 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.40 1wxm n GLN 45 Cb 0.60 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.28 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 0.49 1.67 -1.72 1.08 -0.08 -1.26 -4.78 116.55 111.94 1wxm n ASP 46 Ca 0.27 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.37 1wxm n ASP 46 Cb 0.57 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.11 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 -3.59 0.08 -0.14 0.00 0.11 0.17 -4.74 120.40 112.29 1wxm s VAL 49 Ca 0.04 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1wxm s VAL 49 Cb 0.06 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1wxm s VAL 49 CO -0.08 -0.38 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.43 1wxm s VAL 50 N -2.07 1.88 -0.11 2.04 1.01 -1.25 0.07 120.40 121.96 1wxm s VAL 50 Ca -0.09 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1wxm s VAL 50 Cb -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1wxm s VAL 50 CO -0.01 0.51 0.10 -0.31 0.00 0.00 0.00 175.10 175.40 1wxm s TYR 51 N 1.05 3.48 -0.18 5.22 2.02 0.11 0.27 117.35 129.32 1wxm s TYR 51 Ca -0.03 0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 57.03 1wxm s TYR 51 Cb -0.14 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1wxm s TYR 51 CO -0.06 0.66 0.06 1.03 -1.57 0.00 0.00 175.55 175.68 1wxm s ARG 52 N -1.03 3.94 -0.70 -0.62 0.52 0.14 0.09 118.95 121.30 1wxm s ARG 52 Ca 0.15 -0.34 -0.27 0.00 -0.52 0.00 0.00 55.73 54.75 1wxm s ARG 52 Cb -0.12 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.18 1wxm s ARG 52 CO 0.04 0.30 1.24 -0.51 0.02 0.00 0.00 175.30 176.39 1wxm s LEU 53 N 0.29 3.30 -0.42 2.53 2.01 -0.79 0.12 118.68 125.72 1wxm s LEU 53 Ca 0.04 -0.35 0.03 0.00 0.01 0.00 0.00 54.13 53.85 1wxm s LEU 53 Cb -0.12 -2.69 0.11 0.00 0.01 0.00 0.00 46.19 43.50 1wxm s LEU 53 CO 0.00 -1.73 0.16 -0.63 1.01 0.00 0.00 176.35 175.16 1wxm s ILE 54 N 5.46 2.61 0.00 -0.59 1.09 -1.10 -4.65 121.20 124.02 1wxm s ILE 54 Ca 0.36 -2.63 0.00 0.00 -1.10 0.00 0.00 60.65 57.28 1wxm s ILE 54 Cb -0.08 -2.85 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 1wxm s ILE 54 CO 0.17 -0.69 0.00 1.17 -0.10 0.00 0.00 174.94 175.49 1wxm n LYS 55 N 3.92 0.00 0.00 2.79 3.00 -1.26 -3.39 118.16 123.22 1wxm n LYS 55 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1wxm n LYS 55 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wxm n GLY 56 N 0.00 0.00 3.13 3.14 0.00 -1.26 -5.16 105.19 105.03 1wxm n GLY 56 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.34 -0.42 1.61 1.81 -1.22 -5.11 118.95 115.97 1wxm s ARG 57 Ca 0.00 0.16 -0.28 0.00 -1.72 0.00 0.00 55.73 53.89 1wxm s ARG 57 Cb 0.00 0.16 -0.00 0.00 -0.45 0.00 0.00 34.95 34.66 1wxm s ARG 57 CO 0.00 -0.06 1.57 0.15 -0.68 0.00 0.00 175.30 176.28 1wxm s LYS 58 N -0.25 3.39 -0.58 3.54 3.01 -1.26 -2.70 119.74 124.89 1wxm s LYS 58 Ca -0.04 1.00 -0.13 0.00 -1.01 0.00 0.00 55.97 55.80 1wxm s LYS 58 Cb -0.03 -4.12 0.15 0.00 -1.01 0.00 0.00 37.83 32.82 1wxm s LYS 58 CO 0.01 -1.79 0.51 0.99 0.51 0.00 0.00 175.35 175.58 1wxm s THR 59 N 6.24 4.97 0.12 2.17 2.01 0.12 -4.76 115.64 126.51 1wxm s THR 59 Ca 0.66 -1.83 -0.34 0.00 0.31 0.00 0.00 61.69 60.49 1wxm s THR 59 Cb -0.16 -4.18 -0.17 0.00 0.01 0.00 0.00 72.50 68.00 1wxm s THR 59 CO 0.31 -0.88 0.97 0.52 -0.69 0.00 0.00 174.62 174.86 1wxm n VAL 60 N 4.83 0.87 -4.20 3.82 0.31 -1.26 0.25 118.33 122.94 1wxm n VAL 60 Ca -0.06 -0.22 -0.26 0.00 -0.01 0.00 0.00 64.34 63.79 1wxm n VAL 60 Cb 0.41 -0.35 -0.08 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.33 3.75 0.08 2.52 -1.32 0.14 -4.78 115.64 115.71 1wxm s THR 61 Ca 0.77 -1.42 -0.14 0.00 -1.21 0.00 0.00 61.69 59.69 1wxm s THR 61 Cb -1.01 -2.89 -0.06 0.00 -1.51 0.00 0.00 72.50 67.03 1wxm s THR 61 CO 0.55 -0.12 0.48 0.00 -2.21 0.00 0.00 174.62 173.32 1wxm s ALA 62 N -1.74 3.65 0.08 11.08 0.00 -1.26 -4.59 121.76 128.98 1wxm s ALA 62 Ca 0.28 -0.20 0.33 0.00 0.00 0.00 0.00 51.96 52.38 1wxm s ALA 62 Cb -0.09 -2.44 1.41 0.00 0.00 0.00 0.00 23.12 22.00 1wxm s ALA 62 CO 0.19 0.48 1.98 -1.49 0.00 0.00 0.00 175.76 176.93 1wxm h TRP 63 N 4.03 0.00 0.26 0.00 4.06 -1.98 -2.37 115.95 119.95 1wxm h TRP 63 Ca -0.50 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.12 1wxm h TRP 63 Cb 1.20 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.40 1wxm h TRP 63 CO 0.67 0.00 -1.48 0.22 -3.56 0.00 0.00 178.44 174.29 1wxm h ASP 64 N 0.00 0.85 -1.88 -3.49 3.58 -1.98 -2.84 116.42 110.66 1wxm h ASP 64 Ca 0.00 -0.91 -0.53 0.00 0.42 0.00 0.00 57.03 56.01 1wxm h ASP 64 Cb 0.45 -0.28 0.20 0.00 1.72 0.00 0.00 39.33 41.43 1wxm h ASP 64 CO 0.00 1.71 -1.50 0.41 -2.88 0.00 0.00 179.24 176.98 1wxm n THR 65 N -3.72 0.00 -2.46 2.25 -1.04 -0.89 -4.54 114.28 103.88 1wxm n THR 65 Ca -0.17 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.05 61.10 1wxm n THR 65 Cb 1.11 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.64 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 -1.88 3.33 -1.69 2.41 0.00 -1.26 -1.17 121.76 121.50 1wxm s ALA 66 Ca 0.44 -0.62 0.24 0.00 0.00 0.00 0.00 51.96 52.01 1wxm s ALA 66 Cb -0.28 -2.61 0.27 0.00 0.00 0.00 0.00 23.12 20.50 1wxm s ALA 66 CO 0.72 -0.65 1.25 1.51 0.00 0.00 0.00 175.76 178.59 1wxm n ILE 67 N -2.48 0.00 0.10 0.00 0.13 -1.19 -4.21 119.36 111.71 1wxm n ILE 67 Ca 0.03 -0.15 -0.13 0.00 -1.10 0.00 0.00 62.75 61.40 1wxm n ILE 67 Cb 0.57 0.83 -0.08 0.00 -0.84 0.00 0.00 39.64 40.12 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 3.60 -0.27 0.00 1.51 0.00 -1.80 -3.25 119.26 119.06 1wxm h ALA 68 Ca 0.00 -0.17 -0.45 0.00 0.00 0.00 0.00 54.91 54.29 1wxm h ALA 68 Cb 0.61 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wxm h ALA 68 CO 0.00 -0.49 2.67 -0.35 0.00 0.00 0.00 179.25 181.07 1wxm n PRO 69 N -5.07 2.59 0.00 0.00 -0.04 -1.26 -3.13 135.00 128.09 1wxm n PRO 69 Ca -0.09 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1wxm n PRO 69 Cb 0.23 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.75 0.02 -2.75 1.53 7.99 -1.23 -5.02 117.00 121.29 1wxm n LEU 70 Ca 0.55 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 56.16 1wxm n LEU 70 Cb 0.25 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.49 1wxm n LEU 70 CO 0.68 -0.21 0.82 -0.67 -1.51 0.00 0.00 177.39 176.50 1wxm n ASP 71 N -1.94 0.63 -0.64 -1.43 2.03 -1.18 -1.81 116.55 112.20 1wxm n ASP 71 Ca 0.00 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1wxm n ASP 71 Cb 0.01 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 3.20 0.54 0.00 0.27 0.00 -1.26 -4.97 105.19 102.97 1wxm n GLY 72 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.64 0.00 -3.51 1.61 -0.00 -0.75 -5.14 120.64 112.20 1wxm n GLU 73 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.05 1wxm n GLU 73 Cb 0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.64 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 -0.82 0.29 -0.13 3.44 2.02 -1.26 -4.33 118.70 117.91 1wxm s GLU 74 Ca 0.00 0.69 -0.09 0.00 0.02 0.00 0.00 54.97 55.59 1wxm s GLU 74 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 34.13 33.96 1wxm s GLU 74 CO 0.00 -0.46 0.18 -0.51 0.02 0.00 0.00 175.26 174.48 1wxm s LEU 75 N 2.52 4.34 -0.30 1.80 1.43 -1.18 -1.88 118.68 125.41 1wxm s LEU 75 Ca 0.06 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1wxm s LEU 75 Cb -0.14 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 43.99 1wxm s LEU 75 CO -0.13 0.32 0.01 -0.63 0.23 0.00 0.00 176.35 176.14 1wxm s ILE 76 N -0.55 2.97 -0.41 -0.59 1.01 0.11 -0.78 121.20 122.96 1wxm s ILE 76 Ca 0.14 -1.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.15 1wxm s ILE 76 Cb -0.12 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.63 1wxm s ILE 76 CO 0.03 -0.14 0.63 -0.69 0.00 0.00 0.00 174.94 174.78 1wxm s VAL 77 N 1.24 4.86 0.09 2.92 1.01 0.10 0.05 120.40 130.66 1wxm s VAL 77 Ca -0.05 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1wxm s VAL 77 Cb -0.20 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1wxm s VAL 77 CO -0.01 -0.50 -0.18 -1.61 0.00 0.00 0.00 175.10 172.80 1wxm s GLU 78 N 2.76 0.99 0.25 2.72 2.02 0.11 -1.99 118.70 125.57 1wxm s GLU 78 Ca 0.23 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 1wxm s GLU 78 Cb -0.14 -1.14 -0.09 0.00 0.10 0.00 0.00 34.13 32.85 1wxm s GLU 78 CO 0.18 0.26 1.01 0.08 0.02 0.00 0.00 175.26 176.81 1wxm s VAL 79 N -1.20 3.83 -0.34 2.63 1.01 -1.26 0.43 120.40 125.51 1wxm s VAL 79 Ca 0.03 1.84 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 1wxm s VAL 79 Cb -0.10 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1wxm s VAL 79 CO 0.03 0.43 1.64 -0.76 0.00 0.00 0.00 175.10 176.45 1wxm s LEU 80 N -1.25 3.59 0.05 3.92 1.43 0.65 -4.86 118.68 122.22 1wxm s LEU 80 Ca 0.43 1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 54.54 1wxm s LEU 80 Cb -0.28 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.45 1wxm s LEU 80 CO 0.36 -1.54 0.46 -0.44 0.23 0.00 0.00 176.35 175.41 1wxm s SER 81 N 5.09 -0.35 0.00 2.29 0.01 -1.26 -4.90 113.70 114.58 1wxm s SER 81 Ca 0.73 0.04 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1wxm s SER 81 Cb -0.20 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wxm s SER 81 CO 0.33 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wxm n GLY 82 N 0.40 -0.44 3.60 3.44 0.00 -1.26 -4.84 105.19 106.09 1wxm n GLY 82 Ca -0.18 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.76 3.59 -0.18 1.61 0.04 -1.26 -4.99 135.00 132.06 1wxm s PRO 83 Ca 0.00 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 1wxm s PRO 83 Cb 0.00 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 1wxm s PRO 83 CO 0.00 -1.55 0.49 0.45 0.04 0.00 0.00 177.00 176.43 1wxm s SER 84 N 3.89 6.58 -0.18 6.66 0.15 -1.26 -4.96 113.70 124.58 1wxm s SER 84 Ca 0.61 0.69 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 1wxm s SER 84 Cb -0.14 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 1wxm s SER 84 CO 0.32 -0.11 -0.29 -1.54 1.20 0.00 0.00 173.24 172.83 1wxm n SER 85 N 4.40 1.91 0.00 5.45 3.41 -1.26 -5.25 113.62 122.28 1wxm n SER 85 Ca -0.06 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1wxm n SER 85 Cb 0.51 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49