#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n ALA 4 N 0.00 0.00 0.78 6.98 0.00 -1.26 -4.28 120.51 122.73 2wdn n ALA 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2wdn n ALA 4 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2wdn n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdn n TYR 5 N 0.00 0.00 1.34 0.00 4.02 -1.26 -4.12 117.16 117.15 2wdn n TYR 5 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2wdn n TYR 5 Cb 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 39.34 39.76 2wdn n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wdn n ASP 6 N 0.71 1.19 -0.03 7.72 8.00 -1.26 -3.96 116.55 128.92 2wdn n ASP 6 Ca 0.10 -1.11 -0.19 0.00 0.71 0.00 0.00 54.79 54.29 2wdn n ASP 6 Cb 0.44 0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.48 2wdn n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2wdn h VAL 7 N 1.62 1.27 -3.54 2.53 2.07 -1.93 -3.42 116.25 114.86 2wdn h VAL 7 Ca 0.00 -2.36 -0.61 0.00 0.82 0.00 0.00 66.70 64.55 2wdn h VAL 7 Cb 0.50 2.85 -0.12 0.00 -1.52 0.00 0.00 31.29 33.00 2wdn h VAL 7 CO 0.00 0.59 0.04 -0.63 0.02 0.00 0.00 177.57 177.59 2wdn s ILE 8 N -2.38 5.04 -0.23 4.57 1.09 -1.25 -2.05 121.20 126.00 2wdn s ILE 8 Ca -0.21 0.97 0.09 0.00 -1.10 0.00 0.00 60.65 60.40 2wdn s ILE 8 Cb 0.02 -3.86 -0.20 0.00 -1.06 0.00 0.00 42.46 37.36 2wdn s ILE 8 CO 0.72 0.08 -0.10 0.18 -0.10 0.00 0.00 174.94 175.72 2wdn n LEU 9 N 5.52 1.69 -3.59 2.97 4.77 -0.09 -4.94 117.00 123.34 2wdn n LEU 9 Ca -0.03 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 2wdn n LEU 9 Cb 0.50 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2wdn n LEU 9 CO 0.41 0.73 0.95 0.00 -1.33 0.00 0.00 177.39 178.16 2wdn s ALA 10 N -2.49 -2.02 0.71 -1.18 0.00 -1.17 -4.99 121.76 110.62 2wdn s ALA 10 Ca -0.23 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 2wdn s ALA 10 Cb 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2wdn s ALA 10 CO 0.67 -0.47 1.09 -1.25 0.00 0.00 0.00 175.76 175.81 2wdn s PRO 11 N -1.92 2.60 0.00 0.00 0.04 -1.26 0.36 135.00 134.82 2wdn s PRO 11 Ca 0.06 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2wdn s PRO 11 Cb -0.01 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2wdn s PRO 11 CO -0.04 -1.38 0.89 1.33 0.04 0.00 0.00 177.00 177.84 2wdn n VAL 12 N -2.98 0.00 -2.31 -0.36 0.24 -0.62 -4.53 118.33 107.76 2wdn n VAL 12 Ca 0.09 1.39 -0.03 0.00 -2.04 0.00 0.00 64.34 63.75 2wdn n VAL 12 Cb 0.53 -2.26 0.02 0.00 -1.47 0.00 0.00 33.84 30.66 2wdn n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wdn n LEU 13 N -1.93 -4.10 -3.67 1.34 4.77 -1.26 -4.96 117.00 107.18 2wdn n LEU 13 Ca 0.00 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 2wdn n LEU 13 Cb 0.00 -2.00 -0.07 0.00 -2.33 0.00 0.00 43.42 39.02 2wdn n LEU 13 CO 0.00 -0.27 0.16 -0.94 -1.33 0.00 0.00 177.39 175.01 2wdn s SER 14 N -2.82 -0.33 0.24 -1.43 1.04 -1.26 -4.98 113.70 104.16 2wdn s SER 14 Ca 0.11 0.20 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 2wdn s SER 14 Cb -0.01 0.40 0.37 0.00 0.10 0.00 0.00 66.02 66.88 2wdn s SER 14 CO 0.37 -0.56 1.34 1.21 0.98 0.00 0.00 173.24 176.58 2wdn n GLU 15 N 0.93 -0.09 0.06 4.02 4.07 -1.26 0.13 120.64 128.50 2wdn n GLU 15 Ca -0.20 1.34 -0.05 0.00 -0.06 0.00 0.00 57.16 58.19 2wdn n GLU 15 Cb 0.57 -1.99 0.14 0.00 -0.06 0.00 0.00 31.44 30.10 2wdn n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2wdn h LYS 16 N 0.00 0.33 -0.09 5.31 3.64 -1.99 -2.85 116.57 120.92 2wdn h LYS 16 Ca 0.40 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2wdn h LYS 16 Cb 0.61 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2wdn h LYS 16 CO -0.88 0.77 -0.21 0.00 -2.27 0.00 0.00 179.45 176.86 2wdn h ALA 17 N 1.20 -0.19 -0.38 5.00 0.00 0.64 -2.39 119.26 123.13 2wdn h ALA 17 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2wdn h ALA 17 Cb 0.99 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2wdn h ALA 17 CO 0.08 -0.68 -0.27 1.88 0.00 0.00 0.00 179.25 180.27 2wdn h TYR 18 N -0.28 0.91 -0.96 0.00 0.05 -1.48 -3.09 116.97 112.11 2wdn h TYR 18 Ca 0.09 -0.23 0.24 0.00 0.05 0.00 0.00 58.73 58.88 2wdn h TYR 18 Cb 0.41 -0.21 -0.18 0.00 1.01 0.00 0.00 36.73 37.76 2wdn h TYR 18 CO -0.29 0.97 -0.06 0.00 -1.05 0.00 0.00 178.16 177.73 2wdn h ALA 19 N 1.02 0.97 0.00 3.88 0.00 -1.18 0.34 119.26 124.29 2wdn h ALA 19 Ca 0.08 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2wdn h ALA 19 Cb 0.79 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2wdn h ALA 19 CO 0.07 -0.50 -0.20 0.78 0.00 0.00 0.00 179.25 179.40 2wdn h GLY 20 N 0.02 0.00 0.52 0.00 0.00 -1.44 -3.21 103.07 98.95 2wdn h GLY 20 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2wdn h GLY 20 CO -0.92 0.00 0.71 0.74 0.00 0.00 0.00 176.54 177.07 2wdn h PHE 21 N 0.00 0.00 -0.27 5.60 0.05 -0.32 -0.79 116.94 121.21 2wdn h PHE 21 Ca -0.00 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.81 2wdn h PHE 21 Cb 0.38 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 2wdn h PHE 21 CO 0.00 0.00 0.13 0.00 -0.18 0.00 0.00 178.31 178.26 2wdn h ALA 22 N 0.52 0.32 -6.61 2.45 0.00 -1.73 -3.43 119.26 110.78 2wdn h ALA 22 Ca 0.00 0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 2wdn h ALA 22 Cb 1.42 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.20 2wdn h ALA 22 CO 0.00 -0.26 -0.07 0.39 0.00 0.00 0.00 179.25 179.30 2wdn n GLU 23 N -4.98 0.60 -0.17 0.00 4.71 -0.30 -4.92 120.64 115.58 2wdn n GLU 23 Ca -0.01 -3.18 0.00 0.00 -0.01 0.00 0.00 57.16 53.96 2wdn n GLU 23 Cb 0.07 -0.23 0.00 0.00 -1.01 0.00 0.00 31.44 30.27 2wdn n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wdn n GLY 24 N -2.16 1.28 3.34 0.62 0.00 -1.26 -4.66 105.19 102.35 2wdn n GLY 24 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 2wdn n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn s LYS 25 N 0.93 3.91 -0.14 1.61 1.02 -1.24 0.79 119.74 126.62 2wdn s LYS 25 Ca 0.00 -2.80 -0.07 0.00 0.02 0.00 0.00 55.97 53.12 2wdn s LYS 25 Cb 0.00 -4.53 -0.04 0.00 -0.52 0.00 0.00 37.83 32.73 2wdn s LYS 25 CO 0.00 -1.30 0.11 0.71 -0.92 0.00 0.00 175.35 173.95 2wdn s TYR 26 N -0.36 3.47 -0.05 3.18 1.51 -0.54 -3.39 117.35 121.17 2wdn s TYR 26 Ca 0.26 0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.77 2wdn s TYR 26 Cb -0.10 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2wdn s TYR 26 CO -0.08 0.54 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.60 2wdn s THR 27 N -0.55 1.82 0.12 -0.71 -1.32 -1.26 0.29 115.64 114.04 2wdn s THR 27 Ca 0.12 -0.94 0.05 0.00 -1.21 0.00 0.00 61.69 59.72 2wdn s THR 27 Cb -0.12 -1.54 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 2wdn s THR 27 CO 0.02 0.51 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.46 2wdn s PHE 28 N -0.10 1.32 -0.18 9.09 0.40 0.65 -1.59 117.98 127.57 2wdn s PHE 28 Ca -0.03 -0.61 -0.29 0.00 -0.60 0.00 0.00 56.93 55.39 2wdn s PHE 28 Cb -0.13 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 2wdn s PHE 28 CO 0.03 0.11 1.19 -1.58 0.70 0.00 0.00 175.22 175.68 2wdn s TRP 29 N -2.44 3.01 0.47 0.36 0.23 0.16 -1.20 118.94 119.54 2wdn s TRP 29 Ca 0.10 1.16 0.04 0.00 -2.03 0.00 0.00 56.10 55.37 2wdn s TRP 29 Cb -0.03 -3.43 -0.03 0.00 0.03 0.00 0.00 33.47 30.01 2wdn s TRP 29 CO 0.02 -1.32 0.09 0.14 0.96 0.00 0.00 176.95 176.84 2wdn s VAL 30 N 3.32 1.66 -0.42 4.03 -7.23 0.65 -0.91 120.40 121.50 2wdn s VAL 30 Ca 0.52 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 2wdn s VAL 30 Cb -0.20 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.21 2wdn s VAL 30 CO 0.13 0.00 1.36 -2.28 -0.31 0.00 0.00 175.10 174.00 2wdn s HIS 31 N -2.77 2.48 0.12 2.82 2.46 -0.87 -3.76 115.29 115.76 2wdn s HIS 31 Ca 0.24 0.69 -0.05 0.00 0.47 0.00 0.00 55.06 56.40 2wdn s HIS 31 Cb 0.04 -4.31 0.18 0.00 -0.13 0.00 0.00 32.58 28.35 2wdn s HIS 31 CO 0.13 -1.86 0.71 -0.35 -2.47 0.00 0.00 174.74 170.90 2wdn n PRO 32 N 8.00 -0.06 0.00 2.88 -0.04 -1.26 0.17 135.00 144.69 2wdn n PRO 32 Ca 0.16 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2wdn n PRO 32 Cb 0.48 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2wdn n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wdn n LYS 33 N -4.72 0.70 -3.01 0.54 4.76 -1.26 -4.83 118.16 110.34 2wdn n LYS 33 Ca 0.06 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.16 2wdn n LYS 33 Cb 0.21 -1.06 -0.06 0.00 -1.84 0.00 0.00 35.03 32.28 2wdn n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdn s ALA 34 N -1.82 3.29 0.42 7.82 0.00 0.44 -5.08 121.76 126.83 2wdn s ALA 34 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2wdn s ALA 34 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 2wdn s ALA 34 CO 0.00 0.27 0.64 0.99 0.00 0.00 0.00 175.76 177.66 2wdn s THR 35 N -1.79 4.24 0.22 0.00 2.01 -1.26 -4.93 115.64 114.13 2wdn s THR 35 Ca 0.51 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 2wdn s THR 35 Cb -0.14 -3.56 0.16 0.00 0.01 0.00 0.00 72.50 68.98 2wdn s THR 35 CO 0.19 -0.38 1.79 0.11 -0.69 0.00 0.00 174.62 175.64 2wdn h LYS 36 N 0.49 1.17 0.66 4.92 1.79 -1.98 0.54 116.57 124.17 2wdn h LYS 36 Ca -0.47 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 57.76 2wdn h LYS 36 Cb 1.24 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 31.71 2wdn h LYS 36 CO 0.58 0.94 -0.32 1.15 -1.08 0.00 0.00 179.45 180.72 2wdn h THR 37 N 1.14 0.00 -0.95 -0.16 2.02 -1.99 0.65 112.91 113.62 2wdn h THR 37 Ca 0.26 -0.18 0.29 0.00 0.77 0.00 0.00 66.41 67.54 2wdn h THR 37 Cb 0.21 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.46 2wdn h THR 37 CO -0.02 0.00 0.23 -0.33 0.37 0.00 0.00 175.52 175.77 2wdn h GLU 38 N -1.07 0.10 0.45 6.66 5.08 -1.91 0.18 114.58 124.06 2wdn h GLU 38 Ca -0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2wdn h GLU 38 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2wdn h GLU 38 CO 0.15 0.07 -0.33 0.82 -1.00 0.00 0.00 179.01 178.71 2wdn h ILE 39 N 0.10 0.00 -0.72 3.13 1.08 -0.69 -1.30 117.51 119.11 2wdn h ILE 39 Ca 0.63 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.21 2wdn h ILE 39 Cb 1.40 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.02 2wdn h ILE 39 CO -0.77 0.00 -0.42 0.50 -0.69 0.00 0.00 178.15 176.77 2wdn h LYS 40 N -0.75 -0.13 -0.62 2.37 3.64 0.17 0.12 116.57 121.37 2wdn h LYS 40 Ca -0.06 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2wdn h LYS 40 Cb 0.62 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2wdn h LYS 40 CO 0.03 -0.09 0.30 -0.91 -2.27 0.00 0.00 179.45 176.50 2wdn h ASN 41 N -0.14 0.79 0.12 4.20 -0.26 -1.21 -1.66 115.58 117.42 2wdn h ASN 41 Ca 0.23 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2wdn h ASN 41 Cb 0.56 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2wdn h ASN 41 CO -0.78 0.68 -0.06 0.00 -1.06 0.00 0.00 177.43 176.21 2wdn h ALA 42 N 1.45 -0.16 0.54 -0.83 0.00 0.24 -1.62 119.26 118.89 2wdn h ALA 42 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wdn h ALA 42 Cb 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wdn h ALA 42 CO -0.03 -0.46 -0.33 0.28 0.00 0.00 0.00 179.25 178.72 2wdn h VAL 43 N -0.42 0.33 -0.74 0.00 2.07 -0.76 -2.87 116.25 113.86 2wdn h VAL 43 Ca -0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.67 2wdn h VAL 43 Cb 0.34 0.33 -0.13 0.00 -1.52 0.00 0.00 31.29 30.32 2wdn h VAL 43 CO 0.03 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 177.31 2wdn h GLU 44 N -0.82 0.11 -0.72 1.57 5.08 -1.33 0.30 114.58 118.77 2wdn h GLU 44 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wdn h GLU 44 Cb 0.66 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2wdn h GLU 44 CO 0.07 0.08 0.00 0.25 -1.00 0.00 0.00 179.01 178.41 2wdn n THR 45 N -5.32 0.00 -0.35 1.13 -2.24 -0.61 -1.41 114.28 105.48 2wdn n THR 45 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2wdn n THR 45 Cb 0.46 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2wdn n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdn n ALA 46 N -0.10 0.00 -0.84 6.98 0.00 0.87 -4.81 120.51 122.60 2wdn n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdn n ALA 46 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2wdn n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wdn n PHE 47 N 0.00 0.00 -3.94 0.00 3.01 -0.19 -5.02 117.46 111.32 2wdn n PHE 47 Ca 0.00 -0.08 -0.27 0.00 1.01 0.00 0.00 57.45 58.11 2wdn n PHE 47 Cb 0.07 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 2wdn n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2wdn n LYS 48 N -0.08 -0.83 -4.39 -1.08 5.02 -0.50 -4.92 118.16 111.38 2wdn n LYS 48 Ca 0.00 0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 2wdn n LYS 48 Cb 0.46 -2.56 -0.10 0.00 -0.02 0.00 0.00 35.03 32.81 2wdn n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wdn s VAL 49 N -4.03 1.67 -0.13 -0.18 -7.23 -1.25 -5.08 120.40 104.16 2wdn s VAL 49 Ca 0.08 -2.16 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 2wdn s VAL 49 Cb -0.05 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2wdn s VAL 49 CO 0.78 -0.42 0.12 -0.75 -0.31 0.00 0.00 175.10 174.51 2wdn s LYS 50 N -3.69 3.56 -0.16 4.82 2.20 -1.26 -4.41 119.74 120.80 2wdn s LYS 50 Ca 0.27 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.63 2wdn s LYS 50 Cb 0.02 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2wdn s LYS 50 CO 0.10 0.65 0.03 0.08 -0.36 0.00 0.00 175.35 175.85 2wdn s VAL 51 N -0.67 4.51 -0.34 4.02 1.01 -1.26 -0.59 120.40 127.08 2wdn s VAL 51 Ca 0.13 -0.14 0.17 0.00 0.00 0.00 0.00 61.98 62.14 2wdn s VAL 51 Cb -0.12 -3.00 -0.23 0.00 0.00 0.00 0.00 36.38 33.03 2wdn s VAL 51 CO 0.02 0.49 0.52 0.52 0.00 0.00 0.00 175.10 176.66 2wdn n VAL 52 N 3.32 0.00 -3.50 2.92 0.31 0.27 -4.82 118.33 116.82 2wdn n VAL 52 Ca -0.17 -0.27 -0.14 0.00 -0.01 0.00 0.00 64.34 63.75 2wdn n VAL 52 Cb 0.53 0.48 -0.04 0.00 -0.91 0.00 0.00 33.84 33.89 2wdn n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wdn s LYS 53 N -2.95 0.98 0.02 5.55 2.20 -1.16 -4.97 119.74 119.42 2wdn s LYS 53 Ca -0.01 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 2wdn s LYS 53 Cb 0.12 0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 36.88 2wdn s LYS 53 CO 0.71 -0.36 -0.04 0.08 -0.36 0.00 0.00 175.35 175.38 2wdn s VAL 54 N -2.10 0.20 -0.02 4.02 1.01 -1.26 0.49 120.40 122.73 2wdn s VAL 54 Ca -0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2wdn s VAL 54 Cb -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.08 2wdn s VAL 54 CO -0.00 -0.45 0.04 0.20 0.00 0.00 0.00 175.10 174.89 2wdn s ASN 55 N -1.41 0.04 0.18 3.32 0.02 -0.25 -4.97 114.94 111.87 2wdn s ASN 55 Ca -0.14 0.07 0.08 0.00 -1.02 0.00 0.00 52.86 51.85 2wdn s ASN 55 Cb -0.10 -0.03 -0.04 0.00 0.02 0.00 0.00 41.25 41.10 2wdn s ASN 55 CO -0.01 -0.12 -0.17 0.42 0.02 0.00 0.00 177.10 177.24 2wdn s THR 56 N 1.02 1.78 -0.23 1.60 -4.23 -1.26 0.08 115.64 114.39 2wdn s THR 56 Ca -0.08 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.14 2wdn s THR 56 Cb -0.12 -1.89 0.13 0.00 1.34 0.00 0.00 72.50 71.95 2wdn s THR 56 CO -0.03 -0.41 1.04 -1.48 -0.54 0.00 0.00 174.62 173.20 2wdn s LEU 57 N -2.88 -0.39 0.62 4.79 -0.00 -1.00 -5.02 118.68 114.81 2wdn s LEU 57 Ca 0.18 0.61 -0.06 0.00 -0.00 0.00 0.00 54.13 54.85 2wdn s LEU 57 Cb -0.04 1.82 0.02 0.00 -0.00 0.00 0.00 46.19 48.00 2wdn s LEU 57 CO 0.07 -0.23 0.93 -1.00 -0.00 0.00 0.00 176.35 176.12 2wdn s HIS 58 N -0.41 3.16 -0.23 3.48 3.76 -1.26 -0.53 115.29 123.25 2wdn s HIS 58 Ca 0.01 0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 55.46 2wdn s HIS 58 Cb -0.03 -2.86 0.08 0.00 1.11 0.00 0.00 32.58 30.88 2wdn s HIS 58 CO -0.03 -0.98 0.11 0.08 -0.85 0.00 0.00 174.74 173.07 2wdn s VAL 59 N -3.06 -0.08 0.48 -0.90 1.01 0.51 -4.83 120.40 113.53 2wdn s VAL 59 Ca 0.56 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2wdn s VAL 59 Cb -0.11 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 2wdn s VAL 59 CO 0.45 -0.50 0.77 -1.14 0.00 0.00 0.00 175.10 174.68 2wdn n ARG 60 N 5.27 0.88 -3.04 2.72 0.63 -1.26 -1.75 116.66 120.09 2wdn n ARG 60 Ca -0.06 0.32 -0.41 0.00 -0.92 0.00 0.00 57.85 56.78 2wdn n ARG 60 Cb 0.46 -1.84 -0.05 0.00 0.45 0.00 0.00 32.46 31.47 2wdn n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wdn s GLY 61 N -0.97 1.95 0.22 5.14 0.00 -1.26 -4.78 107.32 107.62 2wdn s GLY 61 Ca 0.66 -0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.82 2wdn s GLY 61 CO 0.55 1.48 1.47 0.28 0.00 0.00 0.00 173.10 176.88 2wdn n LYS 62 N 5.41 2.13 -2.99 2.90 5.02 -1.26 -4.25 118.16 125.12 2wdn n LYS 62 Ca 0.01 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.63 2wdn n LYS 62 Cb 0.49 -2.46 -0.05 0.00 -0.02 0.00 0.00 35.03 32.99 2wdn n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wdn s LYS 63 N -0.06 3.16 0.28 1.97 -2.85 -1.26 -1.48 119.74 119.51 2wdn s LYS 63 Ca 0.71 -0.77 0.06 0.00 -1.00 0.00 0.00 55.97 54.97 2wdn s LYS 63 Cb -0.64 -4.14 -0.02 0.00 -2.06 0.00 0.00 37.83 30.96 2wdn s LYS 63 CO 0.46 -1.49 0.39 0.15 0.10 0.00 0.00 175.35 174.96 2wdn s LYS 64 N 3.36 3.24 0.01 1.78 1.02 -0.80 -4.86 119.74 123.48 2wdn s LYS 64 Ca 0.20 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2wdn s LYS 64 Cb -0.18 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2wdn s LYS 64 CO 0.13 0.27 -0.13 0.50 -0.92 0.00 0.00 175.35 175.19 2wdn s ARG 65 N -4.04 1.00 -0.16 1.68 3.52 -1.26 -2.28 118.95 117.40 2wdn s ARG 65 Ca 0.38 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.39 2wdn s ARG 65 Cb -0.09 -0.98 0.04 0.00 -1.56 0.00 0.00 34.95 32.36 2wdn s ARG 65 CO 0.29 0.26 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.83 2wdn s LEU 66 N -0.67 1.50 0.00 -0.88 0.20 -0.91 -5.02 118.68 112.91 2wdn s LEU 66 Ca 0.03 -0.62 0.00 0.00 0.69 0.00 0.00 54.13 54.23 2wdn s LEU 66 Cb -0.06 -0.86 0.00 0.00 -0.43 0.00 0.00 46.19 44.84 2wdn s LEU 66 CO 0.00 -0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 2wdn n GLY 67 N 4.91 1.38 0.21 7.98 0.00 -1.26 -2.05 105.19 116.36 2wdn n GLY 67 Ca -0.11 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.34 2wdn n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdn n ARG 68 N 10.85 0.80 -2.71 1.61 1.85 -1.26 -4.76 116.66 123.04 2wdn n ARG 68 Ca 0.00 -0.41 -0.42 0.00 -1.00 0.00 0.00 57.85 56.01 2wdn n ARG 68 Cb 0.00 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.88 2wdn n ARG 68 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2wdn s TYR 69 N -2.49 2.56 0.04 2.89 1.51 -0.87 -5.02 117.35 115.97 2wdn s TYR 69 Ca 0.26 -0.15 -0.22 0.00 -1.01 0.00 0.00 57.07 55.94 2wdn s TYR 69 Cb 0.19 -4.39 -0.06 0.00 -0.11 0.00 0.00 41.96 37.60 2wdn s TYR 69 CO 0.50 -1.73 0.67 -1.17 -1.11 0.00 0.00 175.55 172.72 2wdn s LEU 70 N 4.72 4.46 0.00 -1.29 0.20 -1.26 -2.13 118.68 123.38 2wdn s LEU 70 Ca 0.31 1.33 -0.07 0.00 0.69 0.00 0.00 54.13 56.39 2wdn s LEU 70 Cb -0.12 -3.07 0.03 0.00 -0.43 0.00 0.00 46.19 42.60 2wdn s LEU 70 CO 0.16 0.10 0.48 0.61 -0.29 0.00 0.00 176.35 177.41 2wdn n GLY 71 N 2.24 1.71 3.09 7.98 0.00 -0.96 -5.02 105.19 114.23 2wdn n GLY 71 Ca -0.06 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 2wdn n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn s LYS 72 N -2.26 0.79 0.43 1.61 3.01 -1.26 -1.91 119.74 120.15 2wdn s LYS 72 Ca 0.15 -0.62 -0.15 0.00 -1.01 0.00 0.00 55.97 54.34 2wdn s LYS 72 Cb -0.02 -0.75 -0.08 0.00 -1.01 0.00 0.00 37.83 35.97 2wdn s LYS 72 CO 0.11 0.19 0.86 1.03 0.51 0.00 0.00 175.35 178.04 2wdn s ARG 73 N -0.93 3.94 0.61 1.68 0.52 -0.55 -4.88 118.95 119.34 2wdn s ARG 73 Ca 0.00 0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 55.78 2wdn s ARG 73 Cb -0.07 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2wdn s ARG 73 CO 0.01 -0.07 1.04 -0.35 0.02 0.00 0.00 175.30 175.95 2wdn n PRO 74 N -1.11 0.98 -3.14 3.54 -0.04 -1.26 -4.07 135.00 129.90 2wdn n PRO 74 Ca 0.05 0.38 -0.35 0.00 -0.04 0.00 0.00 63.50 63.53 2wdn n PRO 74 Cb 0.54 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 2wdn n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdn s ASP 75 N -1.25 6.97 0.13 3.54 1.11 -1.26 -4.10 116.67 121.81 2wdn s ASP 75 Ca 0.77 1.35 0.01 0.00 0.18 0.00 0.00 52.55 54.85 2wdn s ASP 75 Cb -0.41 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.14 2wdn s ASP 75 CO 0.46 -0.01 0.00 -0.13 1.18 0.00 0.00 175.17 176.67 2wdn s ARG 76 N -2.19 0.93 -0.06 8.23 3.00 -0.72 -4.93 118.95 123.22 2wdn s ARG 76 Ca 0.45 -1.42 0.04 0.00 0.00 0.00 0.00 55.73 54.80 2wdn s ARG 76 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 34.95 34.74 2wdn s ARG 76 CO 0.20 -0.14 -0.18 0.21 0.00 0.00 0.00 175.30 175.39 2wdn s LYS 77 N -3.94 2.55 -0.07 3.54 2.20 -1.25 0.19 119.74 122.97 2wdn s LYS 77 Ca 0.19 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2wdn s LYS 77 Cb 0.07 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 2wdn s LYS 77 CO -0.00 0.53 -0.16 -1.59 -0.36 0.00 0.00 175.35 173.77 2wdn s LYS 78 N -0.50 1.99 0.20 4.03 -2.85 0.31 -0.25 119.74 122.66 2wdn s LYS 78 Ca 0.06 -0.56 0.07 0.00 -1.00 0.00 0.00 55.97 54.54 2wdn s LYS 78 Cb -0.12 -1.62 -0.04 0.00 -2.06 0.00 0.00 37.83 33.99 2wdn s LYS 78 CO 0.01 0.12 0.06 0.00 0.10 0.00 0.00 175.35 175.65 2wdn s ALA 79 N 0.41 3.34 -0.17 0.59 0.00 -0.34 -2.37 121.76 123.22 2wdn s ALA 79 Ca -0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 2wdn s ALA 79 Cb -0.15 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 21.94 2wdn s ALA 79 CO 0.04 0.41 0.09 -1.50 0.00 0.00 0.00 175.76 174.80 2wdn s ILE 80 N -1.91 -0.05 0.17 0.00 -1.16 0.11 -0.26 121.20 118.10 2wdn s ILE 80 Ca 0.30 -0.19 -0.06 0.00 -0.51 0.00 0.00 60.65 60.19 2wdn s ILE 80 Cb -0.09 -0.60 -0.06 0.00 0.61 0.00 0.00 42.46 42.32 2wdn s ILE 80 CO 0.21 -0.28 0.42 0.68 -2.81 0.00 0.00 174.94 173.16 2wdn s VAL 81 N 2.12 5.11 -0.43 4.00 -7.23 0.15 -1.09 120.40 123.03 2wdn s VAL 81 Ca 0.02 0.11 -0.07 0.00 -1.81 0.00 0.00 61.98 60.23 2wdn s VAL 81 Cb -0.16 -3.63 0.10 0.00 0.56 0.00 0.00 36.38 33.25 2wdn s VAL 81 CO -0.09 -0.01 0.26 -1.58 -0.31 0.00 0.00 175.10 173.36 2wdn s GLN 82 N -2.77 2.36 0.13 4.82 2.00 0.18 -1.47 119.66 124.91 2wdn s GLN 82 Ca 0.42 -1.67 -0.30 0.00 -2.00 0.00 0.00 55.36 51.81 2wdn s GLN 82 Cb -0.12 -3.74 -0.07 0.00 0.80 0.00 0.00 33.01 29.89 2wdn s GLN 82 CO 0.24 -1.06 1.18 0.08 -0.50 0.00 0.00 175.29 175.23 2wdn s VAL 83 N 1.30 3.84 0.27 1.34 1.01 0.24 0.94 120.40 129.34 2wdn s VAL 83 Ca 0.05 1.45 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 2wdn s VAL 83 Cb -0.24 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.06 2wdn s VAL 83 CO -0.01 0.18 0.59 0.00 0.00 0.00 0.00 175.10 175.86 2wdn n ALA 84 N 3.10 -2.14 -1.20 5.51 0.00 0.25 -4.36 120.51 121.67 2wdn n ALA 84 Ca 0.06 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.48 2wdn n ALA 84 Cb 0.46 -1.71 0.02 0.00 0.00 0.00 0.00 19.45 18.22 2wdn n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdn n PRO 85 N 0.93 0.01 0.00 0.00 -0.04 -1.26 -2.62 135.00 132.02 2wdn n PRO 85 Ca 0.15 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2wdn n PRO 85 Cb 0.30 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2wdn n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdn n GLY 86 N 2.68 1.64 3.18 0.55 0.00 -1.26 -4.94 105.19 107.03 2wdn n GLY 86 Ca 0.06 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2wdn n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdn n GLN 87 N 0.00 -2.91 -3.64 1.61 6.02 -1.08 -5.06 117.38 112.32 2wdn n GLN 87 Ca 0.00 -0.85 -0.03 0.00 -0.01 0.00 0.00 57.00 56.11 2wdn n GLN 87 Cb 0.00 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 29.48 2wdn n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2wdn s LYS 88 N -4.01 0.08 -0.51 -1.09 -2.85 -1.26 -4.88 119.74 105.22 2wdn s LYS 88 Ca 0.53 0.05 -0.25 0.00 -1.00 0.00 0.00 55.97 55.30 2wdn s LYS 88 Cb -0.11 0.04 0.03 0.00 -2.06 0.00 0.00 37.83 35.73 2wdn s LYS 88 CO 0.51 -0.02 0.95 0.42 0.10 0.00 0.00 175.35 177.31 2wdn s ILE 89 N -0.59 4.40 0.40 3.79 1.01 -1.26 -4.92 121.20 124.04 2wdn s ILE 89 Ca 0.08 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.35 2wdn s ILE 89 Cb -0.03 -4.50 0.27 0.00 0.01 0.00 0.00 42.46 38.21 2wdn s ILE 89 CO -0.11 -0.99 2.04 -0.33 0.00 0.00 0.00 174.94 175.56 2wdn h GLU 90 N 9.21 0.58 -0.31 2.79 4.39 -2.00 -2.86 114.58 126.39 2wdn h GLU 90 Ca -0.25 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.46 2wdn h GLU 90 Cb 1.07 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 2wdn h GLU 90 CO 1.06 0.39 0.05 0.00 -1.16 0.00 0.00 179.01 179.35 2wdn h ALA 91 N 1.71 0.31 -0.37 3.43 0.00 -2.00 -2.52 119.26 119.83 2wdn h ALA 91 Ca 0.18 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2wdn h ALA 91 Cb -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2wdn h ALA 91 CO -0.04 -0.36 0.10 1.28 0.00 0.00 0.00 179.25 180.22 2wdn n LEU 92 N -5.11 3.92 -0.68 0.00 4.77 -1.08 -4.00 117.00 114.81 2wdn n LEU 92 Ca 0.00 -2.01 0.13 0.00 -0.03 0.00 0.00 56.01 54.10 2wdn n LEU 92 Cb 0.14 -0.62 0.36 0.00 -2.33 0.00 0.00 43.42 40.97 2wdn n LEU 92 CO 0.25 0.54 0.77 -0.62 -1.33 0.00 0.00 177.39 177.01 2wdn n GLU 93 N 0.14 1.93 -0.04 3.23 -0.58 -0.95 -4.46 120.64 119.91 2wdn n GLU 93 Ca 0.19 -1.36 -0.04 0.00 -0.42 0.00 0.00 57.16 55.53 2wdn n GLU 93 Cb 0.86 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 30.25 2wdn n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdn n GLY 94 N 1.25 -0.47 0.00 0.62 0.00 -1.26 -5.13 105.19 100.20 2wdn n GLY 94 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wdn n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22