#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 3.29 0.00 1.61 1.04 -1.26 -4.85 113.70 113.52 1wxm s SER 2 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1wxm s SER 2 Cb 0.00 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.86 1wxm s SER 2 CO 0.00 -0.12 0.00 -0.24 0.98 0.00 0.00 173.24 173.86 1wxm n SER 3 N 4.68 0.00 0.00 7.02 2.88 -1.26 -4.64 113.62 122.31 1wxm n SER 3 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wxm n SER 3 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1wxm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 4 N 0.00 2.34 2.73 0.46 0.00 -1.26 -5.00 105.19 104.45 1wxm n GLY 4 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 0.39 -2.68 -3.78 1.61 2.88 -1.26 -5.06 113.62 105.72 1wxm n SER 5 Ca 0.00 1.26 -0.09 0.00 -1.33 0.00 0.00 58.87 58.71 1wxm n SER 5 Cb 0.00 -4.47 -0.04 0.00 -0.75 0.00 0.00 64.21 58.95 1wxm n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wxm s SER 6 N -0.65 -0.23 -0.52 -3.46 1.04 -1.26 -5.12 113.70 103.49 1wxm s SER 6 Ca -0.20 -0.54 -0.14 0.00 0.48 0.00 0.00 55.95 55.55 1wxm s SER 6 Cb 0.01 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.84 1wxm s SER 6 CO 0.62 -1.07 0.45 -0.83 0.98 0.00 0.00 173.24 173.40 1wxm s GLY 7 N -2.89 2.08 0.00 7.32 0.00 -1.26 -4.53 107.32 108.03 1wxm s GLY 7 Ca 0.11 -2.54 0.00 0.00 0.00 0.00 0.00 44.72 42.28 1wxm s GLY 7 CO -0.01 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.87 1wxm n GLY 8 N 5.13 0.19 3.56 0.20 0.00 -1.26 -5.07 105.19 107.94 1wxm n GLY 8 Ca -0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.01 0.00 0.02 2.61 -4.23 -1.26 -2.93 115.64 108.84 1wxm s THR 9 Ca 0.00 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1wxm s THR 9 Cb 0.00 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 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 -3.84 0.19 -0.13 2.29 1.01 0.14 -4.73 120.40 115.32 1wxm s VAL 10 Ca 0.24 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1wxm s VAL 10 Cb -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1wxm s VAL 10 CO 0.11 -0.45 0.62 -0.54 0.00 0.00 0.00 175.10 174.84 1wxm s LYS 11 N -1.41 4.32 -0.32 2.72 1.02 -1.26 0.02 119.74 124.84 1wxm s LYS 11 Ca -0.14 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.50 1wxm s LYS 11 Cb -0.09 -3.50 0.06 0.00 -0.52 0.00 0.00 37.83 33.78 1wxm s LYS 11 CO -0.01 -0.04 0.04 0.08 -0.92 0.00 0.00 175.35 174.50 1wxm s VAL 12 N 1.21 3.09 -0.33 3.17 1.01 0.15 -2.89 120.40 125.81 1wxm s VAL 12 Ca 0.31 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.56 1wxm s VAL 12 Cb -0.16 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1wxm s VAL 12 CO 0.13 -0.20 0.95 -0.31 0.00 0.00 0.00 175.10 175.67 1wxm s TYR 13 N 1.24 3.15 0.40 5.22 2.02 -0.36 0.23 117.35 129.25 1wxm s TYR 13 Ca -0.03 0.98 -0.05 0.00 -0.37 0.00 0.00 57.07 57.61 1wxm s TYR 13 Cb -0.20 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.79 1wxm s TYR 13 CO -0.01 -0.71 0.68 -0.51 -1.57 0.00 0.00 175.55 173.42 1wxm s LEU 14 N 3.39 3.84 -1.12 -1.29 1.43 0.15 0.10 118.68 125.17 1wxm s LEU 14 Ca 0.40 0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.11 1wxm s LEU 14 Cb -0.13 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 1wxm s LEU 14 CO 0.15 -0.41 2.02 -0.81 0.23 0.00 0.00 176.35 177.54 1wxm n PRO 15 N -1.74 2.19 0.00 1.29 -0.04 -0.88 -3.47 135.00 132.35 1wxm n PRO 15 Ca -0.01 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1wxm n PRO 15 Cb 0.55 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 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 7.71 0.00 -1.64 3.54 2.85 -1.26 -4.93 115.26 121.53 1wxm n ASN 16 Ca 0.50 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.86 1wxm n ASN 16 Cb 0.41 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.40 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 0.00 -1.55 -4.24 1.20 5.02 -1.23 -4.90 118.16 112.46 1wxm n LYS 17 Ca 0.00 0.61 -0.23 0.00 -2.02 0.00 0.00 58.31 56.67 1wxm n LYS 17 Cb 0.00 -4.92 -0.07 0.00 -0.02 0.00 0.00 35.03 30.02 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 -3.53 2.38 -0.00 1.97 -0.21 -1.23 -5.01 119.66 114.03 1wxm s GLN 18 Ca 0.00 -1.40 -0.12 0.00 0.02 0.00 0.00 55.36 53.87 1wxm s GLN 18 Cb 0.00 -2.21 0.01 0.00 1.00 0.00 0.00 33.01 31.81 1wxm s GLN 18 CO 0.00 0.33 0.24 -0.98 -2.12 0.00 0.00 175.29 172.75 1wxm s ARG 19 N -3.72 0.61 -0.03 2.91 3.03 -1.26 0.33 118.95 120.82 1wxm s ARG 19 Ca 0.33 -0.32 -0.01 0.00 2.03 0.00 0.00 55.73 57.75 1wxm s ARG 19 Cb -0.06 0.26 0.03 0.00 -1.03 0.00 0.00 34.95 34.15 1wxm s ARG 19 CO 0.21 -0.16 0.06 -0.08 -1.13 0.00 0.00 175.30 174.20 1wxm s THR 20 N -1.52 -0.04 -0.15 4.99 -1.32 0.13 -4.92 115.64 112.81 1wxm s THR 20 Ca -0.13 0.15 -0.25 0.00 -1.21 0.00 0.00 61.69 60.26 1wxm s THR 20 Cb -0.05 -0.12 -0.02 0.00 -1.51 0.00 0.00 72.50 70.80 1wxm s THR 20 CO 0.02 0.06 0.79 -0.69 -2.21 0.00 0.00 174.62 172.60 1wxm s VAL 21 N 0.82 4.92 0.27 5.08 1.01 -1.26 0.31 120.40 131.56 1wxm s VAL 21 Ca -0.07 1.57 0.10 0.00 0.00 0.00 0.00 61.98 63.58 1wxm s VAL 21 Cb -0.09 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1wxm s VAL 21 CO -0.03 0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 174.40 1wxm s VAL 22 N 1.86 3.18 0.28 2.92 1.01 0.10 -4.89 120.40 124.86 1wxm s VAL 22 Ca 0.38 -2.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.09 1wxm s VAL 22 Cb -0.17 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 1wxm s VAL 22 CO 0.14 -0.38 0.82 -0.89 0.00 0.00 0.00 175.10 174.79 1wxm s THR 23 N -2.38 4.42 -0.48 3.92 2.01 -1.26 0.25 115.64 122.13 1wxm s THR 23 Ca 0.31 1.49 -0.27 0.00 0.31 0.00 0.00 61.69 63.53 1wxm s THR 23 Cb -0.06 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.59 1wxm s THR 23 CO 0.19 0.14 1.03 -0.69 -0.69 0.00 0.00 174.62 174.59 1wxm s VAL 24 N -1.61 4.33 0.24 3.82 1.01 -1.15 -4.83 120.40 122.22 1wxm s VAL 24 Ca 0.47 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.44 1wxm s VAL 24 Cb -0.17 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 1wxm s VAL 24 CO 0.21 -0.96 0.20 -0.13 0.00 0.00 0.00 175.10 174.43 1wxm s ARG 25 N 4.13 2.95 -0.29 2.72 1.81 -1.26 -4.98 118.95 124.01 1wxm s ARG 25 Ca 0.41 -1.03 0.18 0.00 -1.72 0.00 0.00 55.73 53.58 1wxm s ARG 25 Cb -0.09 -2.58 0.48 0.00 -0.45 0.00 0.00 34.95 32.31 1wxm s ARG 25 CO 0.28 0.41 1.08 -0.25 -0.68 0.00 0.00 175.30 176.14 1wxm n ASP 26 N -1.12 2.18 -2.32 0.23 8.00 -1.26 -3.62 116.55 118.64 1wxm n ASP 26 Ca -0.08 -2.55 -0.02 0.00 0.71 0.00 0.00 54.79 52.85 1wxm n ASP 26 Cb 0.58 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 41.28 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wxm n GLY 27 N -0.46 0.83 3.48 0.44 0.00 -1.26 -4.97 105.19 103.25 1wxm n GLY 27 Ca 0.15 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.09 0.96 0.96 1.61 0.23 -1.26 -5.10 119.30 116.78 1wxm s MET 28 Ca 0.07 -0.30 -0.16 0.00 -1.03 0.00 0.00 55.69 54.27 1wxm s MET 28 Cb 0.28 0.44 0.19 0.00 -1.53 0.00 0.00 34.83 34.21 1wxm s MET 28 CO -0.08 -0.41 1.30 -1.12 -2.03 0.00 0.00 175.02 172.69 1wxm s SER 29 N -2.43 3.17 0.11 -1.18 0.01 -1.26 -1.98 113.70 110.14 1wxm s SER 29 Ca 0.03 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.63 1wxm s SER 29 Cb -0.01 -0.42 -0.19 0.00 0.21 0.00 0.00 66.02 65.61 1wxm s SER 29 CO -0.09 -2.70 1.25 0.58 0.41 0.00 0.00 173.24 172.69 1wxm h VAL 30 N -1.62 1.59 0.38 3.43 2.07 -0.86 -2.95 116.25 118.28 1wxm h VAL 30 Ca -0.45 -3.10 -0.02 0.00 0.82 0.00 0.00 66.70 63.95 1wxm h VAL 30 Cb 1.24 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1wxm h VAL 30 CO 0.41 0.90 -0.18 0.22 0.02 0.00 0.00 177.57 178.93 1wxm h TYR 31 N 0.05 -0.47 0.00 1.57 5.03 -1.73 0.98 116.97 122.40 1wxm h TYR 31 Ca -0.06 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1wxm h TYR 31 Cb 1.78 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 40.22 1wxm h TYR 31 CO 0.03 -0.27 -0.07 -0.44 -1.32 0.00 0.00 178.16 176.09 1wxm h ASP 32 N -0.54 0.00 0.07 -2.11 3.32 -1.87 1.60 116.42 116.89 1wxm h ASP 32 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1wxm h ASP 32 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1wxm h ASP 32 CO 0.08 0.07 -0.03 0.28 -1.72 0.00 0.00 179.24 177.92 1wxm h SER 33 N 0.00 -0.08 0.37 6.45 0.02 -1.16 -3.29 113.55 115.85 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 0.21 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1wxm h SER 33 CO 0.01 0.31 0.00 0.18 -1.14 0.00 0.00 176.83 176.19 1wxm n LEU 34 N -4.29 0.00 -0.10 5.07 7.99 0.33 -3.65 117.00 122.35 1wxm n LEU 34 Ca -0.01 0.30 -0.10 0.00 -0.01 0.00 0.00 56.01 56.19 1wxm n LEU 34 Cb 0.04 -0.30 -0.07 0.00 -0.11 0.00 0.00 43.42 42.98 1wxm n LEU 34 CO 0.03 -0.11 0.50 -0.78 -1.51 0.00 0.00 177.39 175.51 1wxm h ASP 35 N 0.00 -1.31 0.07 -1.43 1.82 0.23 0.37 116.42 116.17 1wxm h ASP 35 Ca 0.00 0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.84 1wxm h ASP 35 Cb 0.18 0.54 -0.04 0.00 0.68 0.00 0.00 39.33 40.69 1wxm h ASP 35 CO 0.00 -0.28 -0.26 0.50 -1.61 0.00 0.00 179.24 177.59 1wxm h LYS 36 N -0.27 -0.43 -1.88 0.28 3.64 -1.76 0.65 116.57 116.80 1wxm h LYS 36 Ca 0.05 0.03 0.56 0.00 -1.27 0.00 0.00 60.65 60.02 1wxm h LYS 36 Cb 0.41 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.24 1wxm h LYS 36 CO -0.42 -0.29 1.33 0.00 -2.27 0.00 0.00 179.45 177.80 1wxm n ALA 37 N -2.63 1.81 -0.10 5.00 0.00 -0.59 0.49 120.51 124.48 1wxm n ALA 37 Ca -0.06 0.69 -0.18 0.00 0.00 0.00 0.00 53.44 53.89 1wxm n ALA 37 Cb 0.29 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 -4.06 1.85 -0.33 0.00 4.77 0.27 -3.99 117.00 115.52 1wxm n LEU 38 Ca 0.44 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.94 1wxm n LEU 38 Cb 1.94 -0.93 0.14 0.00 -2.33 0.00 0.00 43.42 42.24 1wxm n LEU 38 CO 0.40 0.11 0.69 0.11 -1.33 0.00 0.00 177.39 177.37 1wxm h LYS 39 N -1.00 0.00 -0.73 3.23 1.79 0.54 1.76 116.57 122.16 1wxm h LYS 39 Ca -0.29 -0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1wxm h LYS 39 Cb 1.14 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.68 1wxm h LYS 39 CO -0.17 0.00 0.23 -0.24 -1.08 0.00 0.00 179.45 178.19 1wxm h VAL 40 N 0.00 0.58 -0.49 0.50 3.04 -0.55 0.79 116.25 120.14 1wxm h VAL 40 Ca 0.46 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1wxm h VAL 40 Cb 0.74 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1wxm h VAL 40 CO -0.95 0.06 0.00 0.54 -1.01 0.00 0.00 177.57 176.21 1wxm n ARG 41 N -5.09 3.56 -2.10 4.17 1.74 0.51 -4.89 116.66 114.57 1wxm n ARG 41 Ca 0.14 -2.35 -0.08 0.00 -0.77 0.00 0.00 57.85 54.79 1wxm n ARG 41 Cb 0.43 -1.92 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.75 -0.14 3.00 -0.13 0.00 0.34 -4.90 105.19 104.11 1wxm n GLY 42 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.34 0.00 -4.24 0.99 4.77 0.14 -4.91 117.00 111.40 1wxm n LEU 43 Ca -0.09 -1.09 -0.13 0.00 -0.03 0.00 0.00 56.01 54.67 1wxm n LEU 43 Cb 0.48 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 1wxm n LEU 43 CO 0.11 -1.47 -0.33 0.21 -1.33 0.00 0.00 177.39 174.57 1wxm s ASN 44 N -4.57 1.23 -0.57 -1.43 2.47 -1.26 -4.46 114.94 106.34 1wxm s ASN 44 Ca 0.59 -1.17 0.01 0.00 0.42 0.00 0.00 52.86 52.72 1wxm s ASN 44 Cb -0.03 0.11 0.55 0.00 -1.45 0.00 0.00 41.25 40.43 1wxm s ASN 44 CO 0.43 -0.56 1.98 0.00 -3.72 0.00 0.00 177.10 175.23 1wxm n GLN 45 N -0.24 2.50 0.00 0.43 3.00 -1.26 -3.86 117.38 117.95 1wxm n GLN 45 Ca -0.07 -3.17 0.00 0.00 -0.01 0.00 0.00 57.00 53.75 1wxm n GLN 45 Cb 0.63 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.63 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 -1.02 0.29 -2.07 1.08 -0.08 -1.26 -4.76 116.55 108.72 1wxm n ASP 46 Ca 0.61 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.64 1wxm n ASP 46 Cb 1.11 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.70 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 -1.11 0.64 -0.15 0.00 0.11 0.14 -4.79 120.40 115.24 1wxm s VAL 49 Ca -0.12 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.03 1wxm s VAL 49 Cb -0.07 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1wxm s VAL 49 CO -0.00 -0.20 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.76 1wxm s VAL 50 N -1.01 3.06 -0.11 2.04 1.01 -1.26 0.12 120.40 124.26 1wxm s VAL 50 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1wxm s VAL 50 Cb -0.08 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1wxm s VAL 50 CO 0.01 0.50 0.08 -0.31 0.00 0.00 0.00 175.10 175.38 1wxm s TYR 51 N 0.67 3.40 -0.13 5.22 2.02 0.11 0.82 117.35 129.46 1wxm s TYR 51 Ca -0.06 0.36 -0.09 0.00 -0.37 0.00 0.00 57.07 56.90 1wxm s TYR 51 Cb -0.15 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1wxm s TYR 51 CO 0.02 0.57 0.18 1.03 -1.57 0.00 0.00 175.55 175.79 1wxm s ARG 52 N -0.81 3.77 -0.66 -0.62 0.52 0.13 0.00 118.95 121.27 1wxm s ARG 52 Ca 0.13 -0.07 -0.27 0.00 -0.52 0.00 0.00 55.73 55.00 1wxm s ARG 52 Cb -0.12 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 32.11 1wxm s ARG 52 CO 0.03 0.59 1.20 -0.51 0.02 0.00 0.00 175.30 176.63 1wxm s LEU 53 N -0.52 3.42 -0.40 2.53 2.01 -0.33 -0.03 118.68 125.35 1wxm s LEU 53 Ca 0.14 -0.26 0.02 0.00 0.01 0.00 0.00 54.13 54.05 1wxm s LEU 53 Cb -0.12 -2.81 0.12 0.00 0.01 0.00 0.00 46.19 43.38 1wxm s LEU 53 CO 0.03 -1.63 0.16 -0.63 1.01 0.00 0.00 176.35 175.30 1wxm s ILE 54 N 5.20 1.80 -1.32 -0.59 1.09 -1.06 -4.60 121.20 121.72 1wxm s ILE 54 Ca 0.37 -2.43 -0.05 0.00 -1.10 0.00 0.00 60.65 57.44 1wxm s ILE 54 Cb -0.09 -2.30 0.01 0.00 -1.06 0.00 0.00 42.46 39.02 1wxm s ILE 54 CO 0.19 -0.75 0.60 0.29 -0.10 0.00 0.00 174.94 175.17 1wxm n LYS 55 N 3.91 -4.62 -2.76 2.79 5.02 -1.26 -2.53 118.16 118.71 1wxm n LYS 55 Ca 0.04 0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 57.03 1wxm n LYS 55 Cb 0.37 -5.40 0.04 0.00 -0.02 0.00 0.00 35.03 30.03 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 -1.48 0.13 2.76 0.72 0.00 -1.26 -5.04 105.19 101.02 1wxm n GLY 56 Ca -0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.92 0.17 -0.42 1.61 1.81 -1.05 -5.09 118.95 111.06 1wxm s ARG 57 Ca 0.08 0.24 -0.27 0.00 -1.72 0.00 0.00 55.73 54.06 1wxm s ARG 57 Cb -0.04 -1.13 -0.06 0.00 -0.45 0.00 0.00 34.95 33.28 1wxm s ARG 57 CO 0.34 -0.62 2.30 0.15 -0.68 0.00 0.00 175.30 176.79 1wxm s LYS 58 N 2.32 2.45 -0.48 3.54 3.01 -1.25 -2.57 119.74 126.74 1wxm s LYS 58 Ca 0.06 1.52 -0.12 0.00 -1.01 0.00 0.00 55.97 56.42 1wxm s LYS 58 Cb -0.15 -4.50 0.11 0.00 -1.01 0.00 0.00 37.83 32.27 1wxm s LYS 58 CO -0.11 -2.89 0.38 0.99 0.51 0.00 0.00 175.35 174.23 1wxm s THR 59 N 10.80 4.68 0.42 2.17 2.01 0.95 -4.73 115.64 131.95 1wxm s THR 59 Ca 0.96 -1.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1wxm s THR 59 Cb -0.21 -3.97 -0.15 0.00 0.01 0.00 0.00 72.50 68.18 1wxm s THR 59 CO 0.28 -0.72 0.01 0.52 -0.69 0.00 0.00 174.62 174.02 1wxm n VAL 60 N 5.06 0.39 -4.38 3.82 0.31 -1.26 0.17 118.33 122.44 1wxm n VAL 60 Ca -0.11 -0.48 -0.19 0.00 -0.01 0.00 0.00 64.34 63.55 1wxm n VAL 60 Cb 0.41 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 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 -1.72 1.43 0.29 2.52 -1.32 0.24 -4.67 115.64 112.41 1wxm s THR 61 Ca 0.56 -2.10 -0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1wxm s THR 61 Cb -0.56 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.03 1wxm s THR 61 CO 0.61 -0.35 0.50 0.00 -2.21 0.00 0.00 174.62 173.17 1wxm s ALA 62 N -3.16 3.73 -0.07 11.08 0.00 -1.26 -4.52 121.76 127.57 1wxm s ALA 62 Ca 0.28 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1wxm s ALA 62 Cb 0.04 -2.08 -0.29 0.00 0.00 0.00 0.00 23.12 20.78 1wxm s ALA 62 CO 0.10 0.15 0.62 -1.49 0.00 0.00 0.00 175.76 175.13 1wxm h TRP 63 N 1.23 0.63 0.00 0.00 4.06 -1.97 -3.30 115.95 116.61 1wxm h TRP 63 Ca -0.49 -0.46 -0.05 0.00 2.06 0.00 0.00 58.89 59.95 1wxm h TRP 63 Cb 1.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 1wxm h TRP 63 CO 0.53 1.66 -0.22 -0.44 -3.56 0.00 0.00 178.44 176.40 1wxm h ASP 64 N -0.01 0.00 -1.87 -3.49 3.32 -1.97 -2.52 116.42 109.88 1wxm h ASP 64 Ca -0.34 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.23 1wxm h ASP 64 Cb 2.00 0.00 0.24 0.00 0.22 0.00 0.00 39.33 41.79 1wxm h ASP 64 CO 0.14 0.22 -1.73 0.41 -1.72 0.00 0.00 179.24 176.56 1wxm n THR 65 N -4.12 0.00 -2.84 0.35 -1.04 -1.24 -4.58 114.28 100.81 1wxm n THR 65 Ca -0.02 -0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 61.60 1wxm n THR 65 Cb 0.29 -0.34 0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -2.14 4.15 -0.31 2.41 0.00 -1.26 -1.42 121.76 123.19 1wxm s ALA 66 Ca 0.47 -1.45 0.16 0.00 0.00 0.00 0.00 51.96 51.14 1wxm s ALA 66 Cb -0.04 -1.89 0.55 0.00 0.00 0.00 0.00 23.12 21.74 1wxm s ALA 66 CO 0.67 -0.52 1.45 1.51 0.00 0.00 0.00 175.76 178.88 1wxm n ILE 67 N -2.11 2.19 -0.06 0.00 0.13 -0.84 -4.50 119.36 114.18 1wxm n ILE 67 Ca 0.07 -1.70 -0.05 0.00 -1.10 0.00 0.00 62.75 59.97 1wxm n ILE 67 Cb 0.59 -0.16 -0.05 0.00 -0.84 0.00 0.00 39.64 39.18 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 2.20 0.00 0.00 1.51 0.00 -1.82 -3.36 119.26 117.78 1wxm h ALA 68 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 1wxm h ALA 68 Cb 1.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1wxm h ALA 68 CO 0.23 0.02 1.84 -0.35 0.00 0.00 0.00 179.25 180.99 1wxm n PRO 69 N -4.71 2.28 0.00 0.00 -0.04 -1.26 -3.16 135.00 128.10 1wxm n PRO 69 Ca -0.04 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1wxm n PRO 69 Cb 0.19 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.41 0.80 -2.71 1.53 7.99 -1.26 -5.06 117.00 121.71 1wxm n LEU 70 Ca 0.49 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 56.10 1wxm n LEU 70 Cb 0.38 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.62 1wxm n LEU 70 CO 0.52 0.06 0.86 -0.67 -1.51 0.00 0.00 177.39 176.66 1wxm n ASP 71 N -2.03 0.59 -0.88 -1.43 2.03 -1.19 -1.89 116.55 111.76 1wxm n ASP 71 Ca 0.00 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1wxm n ASP 71 Cb 0.17 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 3.44 0.74 0.00 0.27 0.00 -1.26 -5.06 105.19 103.32 1wxm n GLY 72 Ca 0.26 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.88 0.00 -3.68 1.61 -0.00 -0.79 -5.10 120.64 111.79 1wxm n GLU 73 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.03 1wxm n GLU 73 Cb 0.34 0.00 -0.13 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 -1.96 0.15 -0.18 3.44 2.02 -1.26 -4.29 118.70 116.62 1wxm s GLU 74 Ca 0.00 0.68 -0.08 0.00 0.02 0.00 0.00 54.97 55.59 1wxm s GLU 74 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 1wxm s GLU 74 CO 0.00 -0.26 0.08 -0.51 0.02 0.00 0.00 175.26 174.59 1wxm s LEU 75 N 2.13 3.95 -0.30 1.80 1.43 -1.14 -1.19 118.68 125.35 1wxm s LEU 75 Ca -0.01 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1wxm s LEU 75 Cb -0.12 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1wxm s LEU 75 CO -0.08 0.20 0.06 -0.63 0.23 0.00 0.00 176.35 176.12 1wxm s ILE 76 N 0.24 3.65 -0.11 -0.59 1.01 0.10 -1.22 121.20 124.28 1wxm s ILE 76 Ca 0.05 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1wxm s ILE 76 Cb -0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1wxm s ILE 76 CO -0.00 0.01 0.61 -0.69 0.00 0.00 0.00 174.94 174.87 1wxm s VAL 77 N 1.42 5.09 0.19 2.92 1.01 0.28 0.05 120.40 131.37 1wxm s VAL 77 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1wxm s VAL 77 Cb -0.18 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1wxm s VAL 77 CO 0.01 0.25 0.07 -1.61 0.00 0.00 0.00 175.10 173.82 1wxm s GLU 78 N 0.97 1.14 -0.18 2.72 0.41 0.12 -2.07 118.70 121.81 1wxm s GLU 78 Ca 0.32 -1.58 -0.08 0.00 -0.41 0.00 0.00 54.97 53.22 1wxm s GLU 78 Cb -0.16 0.02 -0.04 0.00 -1.78 0.00 0.00 34.13 32.16 1wxm s GLU 78 CO 0.14 -0.27 0.08 0.08 -0.49 0.00 0.00 175.26 174.79 1wxm s VAL 79 N -3.92 4.93 0.00 2.63 1.01 -1.26 0.28 120.40 124.07 1wxm s VAL 79 Ca 0.31 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 1wxm s VAL 79 Cb 0.07 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 1wxm s VAL 79 CO 0.07 0.47 1.95 0.18 0.00 0.00 0.00 175.10 177.77 1wxm n LEU 80 N 3.42 3.96 0.08 3.92 4.77 0.33 -4.57 117.00 128.91 1wxm n LEU 80 Ca -0.17 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1wxm n LEU 80 Cb 0.52 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1wxm n LEU 80 CO 0.35 0.13 0.00 -0.24 -1.33 0.00 0.00 177.39 176.30 1wxm n SER 81 N 7.24 -1.30 0.00 -1.43 2.88 -1.26 -4.90 113.62 114.85 1wxm n SER 81 Ca 0.21 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wxm n SER 81 Cb 0.37 1.49 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 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 -1.08 2.90 3.81 0.46 0.00 -1.26 -5.08 105.19 104.94 1wxm n GLY 82 Ca 0.00 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.43 2.30 0.25 1.61 0.04 -1.26 -4.93 135.00 129.59 1wxm s PRO 83 Ca 0.00 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1wxm s PRO 83 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wxm s PRO 83 CO 0.00 -1.48 0.00 0.43 0.04 0.00 0.00 177.00 175.99 1wxm n SER 84 N -3.35 -2.26 -4.52 6.66 7.64 -1.26 -5.08 113.62 111.45 1wxm n SER 84 Ca 0.07 0.71 -0.44 0.00 1.01 0.00 0.00 58.87 60.22 1wxm n SER 84 Cb 0.56 2.32 -0.06 0.00 -1.01 0.00 0.00 64.21 66.02 1wxm n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wxm n SER 85 N -3.21 2.30 0.00 6.43 7.64 -1.26 -5.37 113.62 120.15 1wxm n SER 85 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1wxm n SER 85 Cb 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64