#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n ARG 12 N 0.00 0.86 -1.51 1.97 0.63 -1.26 -4.90 116.66 112.45 2wdk n ARG 12 Ca 0.00 -1.80 -0.47 0.00 -0.92 0.00 0.00 57.85 54.65 2wdk n ARG 12 Cb 0.00 -3.30 -0.05 0.00 0.45 0.00 0.00 32.46 29.56 2wdk n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wdk n GLN 13 N 7.86 1.46 -4.09 -0.14 6.02 -1.26 -4.96 117.38 122.28 2wdk n GLN 13 Ca 0.46 0.40 -0.33 0.00 -0.01 0.00 0.00 57.00 57.52 2wdk n GLN 13 Cb 0.44 -2.79 -0.07 0.00 1.02 0.00 0.00 30.24 28.84 2wdk n GLN 13 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2wdk s VAL 14 N 7.73 4.73 -0.14 5.09 -7.23 -1.23 -4.97 120.40 124.38 2wdk s VAL 14 Ca 1.06 -0.45 -0.25 0.00 -1.81 0.00 0.00 61.98 60.53 2wdk s VAL 14 Cb -0.63 -3.18 -0.25 0.00 0.56 0.00 0.00 36.38 32.87 2wdk s VAL 14 CO 0.43 0.31 0.62 0.00 -0.31 0.00 0.00 175.10 176.16 2wdk h ALA 15 N 3.96 0.08 -2.12 1.32 0.00 -1.84 -3.37 119.26 117.28 2wdk h ALA 15 Ca -0.49 -0.77 -0.65 0.00 0.00 0.00 0.00 54.91 53.00 2wdk h ALA 15 Cb 1.18 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 2wdk h ALA 15 CO 0.63 0.32 0.16 0.45 0.00 0.00 0.00 179.25 180.81 2wdk s SER 16 N -6.56 6.31 0.00 0.00 0.15 -1.26 -0.78 113.70 111.55 2wdk s SER 16 Ca -0.21 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2wdk s SER 16 Cb 0.01 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2wdk s SER 16 CO 0.69 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2wdk n GLY 17 N 5.07 3.34 2.77 9.45 0.00 -0.03 -4.20 105.19 121.59 2wdk n GLY 17 Ca -0.02 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 2wdk n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdk s ARG 18 N -1.50 0.12 -0.13 1.61 3.52 -1.06 -2.91 118.95 118.59 2wdk s ARG 18 Ca 0.00 0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 2wdk s ARG 18 Cb 0.00 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 2wdk s ARG 18 CO 0.00 -0.19 -0.06 0.00 -0.81 0.00 0.00 175.30 174.24 2wdk s ALA 19 N 1.27 2.92 -0.09 6.12 0.00 -0.10 0.07 121.76 131.94 2wdk s ALA 19 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2wdk s ALA 19 Cb -0.13 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2wdk s ALA 19 CO -0.03 0.30 -0.12 0.71 0.00 0.00 0.00 175.76 176.62 2wdk s TYR 20 N 0.11 2.80 -0.12 0.00 1.51 0.50 -1.13 117.35 121.02 2wdk s TYR 20 Ca -0.02 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2wdk s TYR 20 Cb -0.14 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 2wdk s TYR 20 CO 0.03 0.05 -0.18 0.42 -1.11 0.00 0.00 175.55 174.76 2wdk s ILE 21 N -0.27 2.61 -0.30 2.71 1.09 0.15 -1.42 121.20 125.77 2wdk s ILE 21 Ca 0.02 -0.82 0.03 0.00 -1.10 0.00 0.00 60.65 58.78 2wdk s ILE 21 Cb -0.13 -2.06 0.08 0.00 -1.06 0.00 0.00 42.46 39.29 2wdk s ILE 21 CO 0.03 0.54 -0.02 -2.28 -0.10 0.00 0.00 174.94 173.11 2wdk s HIS 22 N 0.34 3.43 -0.97 3.97 2.46 0.18 -0.01 115.29 124.68 2wdk s HIS 22 Ca -0.14 -2.63 -0.12 0.00 0.47 0.00 0.00 55.06 52.64 2wdk s HIS 22 Cb -0.17 -2.42 0.25 0.00 -0.13 0.00 0.00 32.58 30.11 2wdk s HIS 22 CO 0.07 -0.91 0.95 0.00 -2.47 0.00 0.00 174.74 172.38 2wdk s ALA 23 N 1.03 4.39 1.10 1.58 0.00 -0.55 -0.50 121.76 128.82 2wdk s ALA 23 Ca 0.02 -3.57 -0.17 0.00 0.00 0.00 0.00 51.96 48.24 2wdk s ALA 23 Cb -0.19 -3.56 0.24 0.00 0.00 0.00 0.00 23.12 19.61 2wdk s ALA 23 CO -0.07 -2.26 1.15 0.45 0.00 0.00 0.00 175.76 175.03 2wdk s SER 24 N 1.78 1.81 0.04 0.00 0.15 0.26 -3.68 113.70 114.06 2wdk s SER 24 Ca 0.25 0.66 0.23 0.00 0.70 0.00 0.00 55.95 57.78 2wdk s SER 24 Cb -0.10 -0.94 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 2wdk s SER 24 CO -0.08 -3.58 0.92 -1.22 1.20 0.00 0.00 173.24 170.48 2wdk n TYR 25 N -4.40 0.24 0.25 3.44 4.02 -1.26 -4.12 117.16 115.33 2wdk n TYR 25 Ca 0.12 0.07 0.06 0.00 -0.01 0.00 0.00 57.90 58.14 2wdk n TYR 25 Cb 0.59 -0.44 0.09 0.00 -0.02 0.00 0.00 39.34 39.57 2wdk n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wdk n ASN 26 N -2.01 2.36 0.00 7.72 3.02 -1.26 -4.59 115.26 120.49 2wdk n ASN 26 Ca 0.01 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 2wdk n ASN 26 Cb 0.46 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2wdk n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wdk n ASN 27 N 0.64 0.00 -3.76 6.41 5.15 -1.26 -3.10 115.26 119.34 2wdk n ASN 27 Ca 0.09 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.93 2wdk n ASN 27 Cb 0.35 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.45 2wdk n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wdk s THR 28 N -2.00 -0.05 -0.04 -0.44 2.01 -1.24 -0.57 115.64 113.30 2wdk s THR 28 Ca 0.00 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.21 2wdk s THR 28 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.36 2wdk s THR 28 CO 0.00 0.08 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.42 2wdk s ILE 29 N 1.07 0.75 -0.14 1.82 1.10 0.35 -0.58 121.20 125.57 2wdk s ILE 29 Ca -0.09 -0.29 0.01 0.00 -0.51 0.00 0.00 60.65 59.77 2wdk s ILE 29 Cb -0.12 -0.71 0.02 0.00 0.15 0.00 0.00 42.46 41.80 2wdk s ILE 29 CO -0.04 0.26 -0.16 0.68 -2.11 0.00 0.00 174.94 173.57 2wdk s VAL 30 N 0.56 1.66 -0.15 4.00 -7.23 0.04 0.49 120.40 119.78 2wdk s VAL 30 Ca -0.09 -0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2wdk s VAL 30 Cb -0.12 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2wdk s VAL 30 CO 0.01 0.47 -0.07 0.28 -0.31 0.00 0.00 175.10 175.49 2wdk s THR 31 N 1.29 3.62 -0.30 5.32 -1.32 -0.51 -1.79 115.64 121.96 2wdk s THR 31 Ca 0.01 -0.45 -0.06 0.00 -1.21 0.00 0.00 61.69 59.98 2wdk s THR 31 Cb -0.14 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2wdk s THR 31 CO -0.08 0.50 0.07 -0.63 -2.21 0.00 0.00 174.62 172.27 2wdk s ILE 32 N 0.35 3.84 0.00 5.08 1.01 0.12 -0.37 121.20 131.23 2wdk s ILE 32 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2wdk s ILE 32 Cb -0.15 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2wdk s ILE 32 CO 0.04 0.06 0.00 0.35 0.00 0.00 0.00 174.94 175.39 2wdk n THR 33 N 4.84 0.00 -3.94 2.92 -2.24 0.11 -0.94 114.28 115.03 2wdk n THR 33 Ca -0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2wdk n THR 33 Cb 0.47 -0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 68.04 2wdk n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wdk n ASP 34 N 0.00 2.08 0.00 3.42 5.75 -1.23 -2.58 116.55 124.00 2wdk n ASP 34 Ca 0.00 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 2wdk n ASP 34 Cb 0.00 0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 2wdk n ASP 34 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2wdk n PRO 35 N -0.80 0.01 -0.08 0.11 -0.02 -1.26 -0.97 135.00 131.99 2wdk n PRO 35 Ca -0.04 0.20 0.04 0.00 -2.02 0.00 0.00 63.50 61.68 2wdk n PRO 35 Cb 0.25 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.31 2wdk n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdk n ASP 36 N -1.20 2.39 -2.74 2.55 10.43 -1.26 -4.99 116.55 121.73 2wdk n ASP 36 Ca 0.00 -2.31 -0.14 0.00 2.57 0.00 0.00 54.79 54.91 2wdk n ASP 36 Cb 0.00 -0.18 0.06 0.00 1.84 0.00 0.00 41.12 42.85 2wdk n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wdk n GLY 37 N -0.52 -0.13 3.07 0.44 0.00 -0.15 -5.00 105.19 102.91 2wdk n GLY 37 Ca 0.07 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wdk n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdk s ASN 38 N -3.69 5.03 -0.08 1.61 0.02 -1.26 -4.83 114.94 111.75 2wdk s ASN 38 Ca 0.16 -2.33 -0.08 0.00 -1.02 0.00 0.00 52.86 49.59 2wdk s ASN 38 Cb -0.07 -1.77 -0.03 0.00 0.02 0.00 0.00 41.25 39.40 2wdk s ASN 38 CO 0.52 -0.44 0.26 -2.65 0.02 0.00 0.00 177.10 174.82 2wdk n PRO 39 N 4.13 0.00 -0.11 -0.60 -0.02 -1.26 -3.46 135.00 133.67 2wdk n PRO 39 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.28 2wdk n PRO 39 Cb 0.40 -0.25 -0.09 0.00 -0.02 0.00 0.00 33.50 33.54 2wdk n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdk n ILE 40 N 0.63 1.26 -3.61 4.25 2.08 -0.12 -4.91 119.36 118.94 2wdk n ILE 40 Ca 0.05 -0.37 -0.09 0.00 0.56 0.00 0.00 62.75 62.89 2wdk n ILE 40 Cb -0.01 -1.65 -0.06 0.00 -0.75 0.00 0.00 39.64 37.17 2wdk n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2wdk s THR 41 N -2.43 0.00 0.36 1.39 2.01 -0.97 -5.01 115.64 111.00 2wdk s THR 41 Ca -0.31 0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.72 2wdk s THR 41 Cb 0.11 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 2wdk s THR 41 CO 0.44 0.00 0.07 -1.66 -0.69 0.00 0.00 174.62 172.78 2wdk s TRP 42 N -0.31 1.94 -0.28 4.92 1.48 -1.26 -0.70 118.94 124.72 2wdk s TRP 42 Ca 0.01 -1.03 -0.25 0.00 -1.06 0.00 0.00 56.10 53.78 2wdk s TRP 42 Cb -0.03 -1.30 0.13 0.00 -1.16 0.00 0.00 33.47 31.12 2wdk s TRP 42 CO -0.03 -0.04 1.08 0.45 -4.06 0.00 0.00 176.95 174.35 2wdk s SER 43 N -3.55 -0.40 0.20 -2.66 0.15 -0.74 -4.72 113.70 101.98 2wdk s SER 43 Ca 0.31 0.77 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 2wdk s SER 43 Cb 0.07 0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 2wdk s SER 43 CO 0.15 -0.13 0.12 -0.94 1.20 0.00 0.00 173.24 173.63 2wdk s SER 44 N 0.25 0.27 0.56 5.45 1.04 -1.26 -0.78 113.70 119.23 2wdk s SER 44 Ca 0.03 -1.37 0.39 0.00 0.48 0.00 0.00 55.95 55.48 2wdk s SER 44 Cb -0.05 0.35 1.51 0.00 0.10 0.00 0.00 66.02 67.94 2wdk s SER 44 CO -0.08 -0.82 1.67 1.23 0.98 0.00 0.00 173.24 176.22 2wdk h GLY 45 N 2.62 0.00 1.59 7.32 0.00 -1.11 0.76 103.07 114.24 2wdk h GLY 45 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2wdk h GLY 45 CO 0.54 0.00 -0.39 -1.33 0.00 0.00 0.00 176.54 175.36 2wdk h GLY 46 N 0.00 0.00 1.82 4.60 0.00 -1.86 -3.27 103.07 104.35 2wdk h GLY 46 Ca 0.64 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.81 2wdk h GLY 46 CO -0.01 0.00 -0.68 -2.08 0.00 0.00 0.00 176.54 173.77 2wdk h VAL 47 N 0.00 1.43 -3.97 4.60 2.07 0.29 -3.41 116.25 117.26 2wdk h VAL 47 Ca 0.00 -2.19 -0.44 0.00 0.82 0.00 0.00 66.70 64.89 2wdk h VAL 47 Cb 0.96 2.16 0.17 0.00 -1.52 0.00 0.00 31.29 33.05 2wdk h VAL 47 CO 0.00 0.64 0.41 -0.63 0.02 0.00 0.00 177.57 178.01 2wdk s ILE 48 N -3.58 1.97 -0.77 4.57 -1.09 -1.15 -4.86 121.20 116.30 2wdk s ILE 48 Ca -0.03 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.33 2wdk s ILE 48 Cb 0.12 -2.97 -0.08 0.00 -1.58 0.00 0.00 42.46 37.95 2wdk s ILE 48 CO 0.80 0.00 2.21 0.61 -1.23 0.00 0.00 174.94 177.33 2wdk n GLY 49 N -3.59 2.99 3.27 6.18 0.00 -1.26 -4.78 105.19 108.00 2wdk n GLY 49 Ca 0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2wdk n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdk s TYR 50 N 3.01 -0.08 -0.20 1.61 4.12 -1.25 -5.13 117.35 119.43 2wdk s TYR 50 Ca 0.41 -0.23 -0.28 0.00 0.02 0.00 0.00 57.07 57.00 2wdk s TYR 50 Cb 0.12 0.13 0.11 0.00 -1.52 0.00 0.00 41.96 40.80 2wdk s TYR 50 CO -0.03 -0.61 0.93 -1.59 0.02 0.00 0.00 175.55 174.27 2wdk s LYS 51 N -3.52 0.66 2.14 -0.62 -2.85 -1.26 -4.10 119.74 110.18 2wdk s LYS 51 Ca 0.02 0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.39 2wdk s LYS 51 Cb 0.02 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2wdk s LYS 51 CO -0.10 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.61 2wdk n GLY 52 N 1.46 1.10 0.11 0.59 0.00 -1.26 -4.04 105.19 103.15 2wdk n GLY 52 Ca -0.13 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 2wdk n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wdk h SER 53 N 0.00 0.44 0.00 1.61 4.64 -2.01 -3.17 113.55 115.06 2wdk h SER 53 Ca 0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wdk h SER 53 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2wdk h SER 53 CO 0.00 1.35 0.00 0.54 -0.87 0.00 0.00 176.83 177.85 2wdk n ARG 54 N -3.55 0.30 -0.04 4.77 1.74 -1.26 -2.19 116.66 116.43 2wdk n ARG 54 Ca -0.08 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 2wdk n ARG 54 Cb 1.01 -1.01 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 2wdk n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdk n LYS 55 N -0.47 0.71 0.07 5.56 5.02 -1.20 -3.84 118.16 124.03 2wdk n LYS 55 Ca 0.00 0.26 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 2wdk n LYS 55 Cb 0.00 -1.66 0.35 0.00 -0.02 0.00 0.00 35.03 33.70 2wdk n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdk n GLY 56 N 1.99 -0.93 3.30 0.72 0.00 -0.93 -3.70 105.19 105.64 2wdk n GLY 56 Ca -0.36 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2wdk n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdk n THR 57 N -1.88 0.71 0.10 2.61 -1.04 -1.25 -3.78 114.28 109.75 2wdk n THR 57 Ca 0.01 -0.49 -0.23 0.00 -2.04 0.00 0.00 64.05 61.30 2wdk n THR 57 Cb 0.11 -0.23 -0.15 0.00 -1.82 0.00 0.00 70.33 68.25 2wdk n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wdk h PRO 58 N -0.03 0.47 -0.52 -2.82 0.13 -1.87 -2.90 132.00 124.47 2wdk h PRO 58 Ca -0.43 -0.76 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 2wdk h PRO 58 Cb 1.42 0.28 -0.03 0.00 0.13 0.00 0.00 31.00 32.80 2wdk h PRO 58 CO 0.42 1.36 0.34 -0.92 -0.23 0.00 0.00 178.00 178.97 2wdk h TYR 59 N -0.02 0.66 0.42 1.56 3.20 -1.91 -0.98 116.97 119.91 2wdk h TYR 59 Ca -0.20 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 2wdk h TYR 59 Cb 1.93 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.98 2wdk h TYR 59 CO 0.15 0.43 -0.20 0.00 -1.64 0.00 0.00 178.16 176.89 2wdk h ALA 60 N 1.66 -0.57 -0.12 1.82 0.00 -1.85 0.64 119.26 120.84 2wdk h ALA 60 Ca 0.19 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wdk h ALA 60 Cb -0.07 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wdk h ALA 60 CO -0.04 -0.67 0.56 0.00 0.00 0.00 0.00 179.25 179.11 2wdk h ALA 61 N -0.47 1.70 0.00 0.00 0.00 -1.19 0.43 119.26 119.73 2wdk h ALA 61 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wdk h ALA 61 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wdk h ALA 61 CO 0.10 -0.63 -0.01 0.37 0.00 0.00 0.00 179.25 179.08 2wdk h GLN 62 N 0.00 0.00 -0.97 0.00 4.15 -0.39 -2.88 115.11 115.02 2wdk h GLN 62 Ca 0.06 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.80 2wdk h GLN 62 Cb 1.18 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.71 2wdk h GLN 62 CO -0.00 0.00 0.33 -0.07 -1.93 0.00 0.00 178.83 177.16 2wdk h LEU 63 N -0.09 0.05 -0.54 -2.39 3.38 0.13 0.71 115.31 116.56 2wdk h LEU 63 Ca 0.00 0.24 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2wdk h LEU 63 Cb 0.01 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wdk h LEU 63 CO 0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 178.44 178.20 2wdk h ALA 64 N 1.92 0.74 -0.24 1.53 0.00 -0.42 -0.66 119.26 122.13 2wdk h ALA 64 Ca 0.69 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2wdk h ALA 64 Cb 1.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2wdk h ALA 64 CO -0.76 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.12 2wdk h ALA 65 N 0.95 1.64 0.07 0.00 0.00 0.61 0.13 119.26 122.66 2wdk h ALA 65 Ca 0.15 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 2wdk h ALA 65 Cb 0.58 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2wdk h ALA 65 CO 0.03 0.27 -1.16 -0.07 0.00 0.00 0.00 179.25 178.33 2wdk h LEU 66 N 0.33 0.84 -0.11 0.00 3.38 -0.72 -2.71 115.31 116.32 2wdk h LEU 66 Ca 0.08 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 2wdk h LEU 66 Cb 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2wdk h LEU 66 CO -0.00 1.54 -0.00 -0.78 0.09 0.00 0.00 178.44 179.29 2wdk h ASP 67 N 0.30 0.20 -0.79 -0.43 -0.00 -0.72 1.20 116.42 116.18 2wdk h ASP 67 Ca -0.16 -0.32 0.13 0.00 -0.00 0.00 0.00 57.03 56.68 2wdk h ASP 67 Cb 1.82 -0.05 -0.06 0.00 -0.00 0.00 0.00 39.33 41.04 2wdk h ASP 67 CO 0.22 0.47 0.52 0.00 -0.00 0.00 0.00 179.24 180.45 2wdk h ALA 68 N 0.74 1.93 0.19 -0.78 0.00 -1.06 0.34 119.26 120.61 2wdk h ALA 68 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wdk h ALA 68 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wdk h ALA 68 CO 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 179.25 179.03 2wdk h ALA 69 N 1.62 -0.34 -1.24 0.00 0.00 -1.08 -2.39 119.26 115.83 2wdk h ALA 69 Ca 0.38 -0.05 0.40 0.00 0.00 0.00 0.00 54.91 55.63 2wdk h ALA 69 Cb 0.68 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 2wdk h ALA 69 CO -0.15 -0.33 0.79 -0.22 0.00 0.00 0.00 179.25 179.35 2wdk h LYS 70 N -0.73 0.15 0.20 0.00 3.64 0.18 0.91 116.57 120.92 2wdk h LYS 70 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2wdk h LYS 70 Cb 0.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wdk h LYS 70 CO 0.04 0.10 -0.10 0.87 -2.27 0.00 0.00 179.45 178.09 2wdk h LYS 71 N 0.15 -0.26 0.00 1.90 1.57 -0.40 -3.09 116.57 116.44 2wdk h LYS 71 Ca 0.77 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 2wdk h LYS 71 Cb 2.31 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.68 2wdk h LYS 71 CO -0.42 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.59 2wdk n ALA 72 N -2.56 1.19 -0.15 3.86 0.00 -0.15 -1.91 120.51 120.79 2wdk n ALA 72 Ca -0.08 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2wdk n ALA 72 Cb 0.26 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 2wdk n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2wdk h MET 73 N 0.00 0.79 -0.85 0.00 2.86 -0.82 -2.07 114.93 114.84 2wdk h MET 73 Ca 0.00 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.42 2wdk h MET 73 Cb 0.08 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 2wdk h MET 73 CO 0.00 0.89 0.55 0.00 1.06 0.00 0.00 176.91 179.41 2wdk h ALA 74 N 0.87 1.56 0.00 6.32 0.00 -1.48 0.55 119.26 127.09 2wdk h ALA 74 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wdk h ALA 74 Cb 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wdk h ALA 74 CO 0.03 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.25 2wdk n TYR 75 N -4.48 0.00 -3.09 0.00 4.02 -1.13 -4.77 117.16 107.71 2wdk n TYR 75 Ca 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.88 2wdk n TYR 75 Cb 0.20 -0.05 0.05 0.00 -0.02 0.00 0.00 39.34 39.52 2wdk n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdk n GLY 76 N 0.17 0.09 3.72 2.72 0.00 0.19 -3.50 105.19 108.58 2wdk n GLY 76 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2wdk n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wdk s MET 77 N -5.64 4.49 0.00 1.61 0.00 -0.79 -4.08 119.30 114.88 2wdk s MET 77 Ca 0.30 1.71 0.00 0.00 0.00 0.00 0.00 55.69 57.70 2wdk s MET 77 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.36 2wdk s MET 77 CO 0.41 -0.14 0.00 1.04 0.00 0.00 0.00 175.02 176.33 2wdk n GLN 78 N 3.50 0.00 -4.27 4.11 1.13 0.04 -4.73 117.38 117.17 2wdk n GLN 78 Ca 0.07 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.90 2wdk n GLN 78 Cb 0.47 -0.12 -0.07 0.00 0.11 0.00 0.00 30.24 30.63 2wdk n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2wdk s SER 79 N -1.77 4.65 0.12 1.08 1.04 -1.22 -2.59 113.70 115.02 2wdk s SER 79 Ca 0.00 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.65 2wdk s SER 79 Cb 0.00 -0.90 0.04 0.00 0.10 0.00 0.00 66.02 65.26 2wdk s SER 79 CO 0.00 -0.02 0.43 0.68 0.98 0.00 0.00 173.24 175.31 2wdk s VAL 80 N -2.31 0.06 -0.17 5.02 -7.23 -1.05 -0.85 120.40 113.87 2wdk s VAL 80 Ca 0.32 -0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 2wdk s VAL 80 Cb -0.06 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2wdk s VAL 80 CO 0.21 -0.27 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.91 2wdk s ASP 81 N -2.73 5.02 0.04 4.85 1.11 -1.15 -2.08 116.67 121.73 2wdk s ASP 81 Ca 0.02 -0.09 -0.18 0.00 0.18 0.00 0.00 52.55 52.49 2wdk s ASP 81 Cb 0.01 -1.84 -0.06 0.00 1.07 0.00 0.00 42.92 42.10 2wdk s ASP 81 CO -0.11 0.15 0.51 -0.69 1.18 0.00 0.00 175.17 176.21 2wdk s VAL 82 N 0.46 4.85 -0.16 -1.27 1.01 0.10 -0.93 120.40 124.47 2wdk s VAL 82 Ca -0.01 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 2wdk s VAL 82 Cb -0.14 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.47 2wdk s VAL 82 CO 0.02 0.56 0.07 -0.63 0.00 0.00 0.00 175.10 175.12 2wdk s ILE 83 N -1.04 0.11 0.09 2.22 1.01 -0.29 -0.28 121.20 123.03 2wdk s ILE 83 Ca 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2wdk s ILE 83 Cb -0.18 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2wdk s ILE 83 CO 0.17 -0.21 0.13 0.68 0.00 0.00 0.00 174.94 175.71 2wdk s VAL 84 N 2.05 4.78 -0.02 2.92 -7.23 0.11 0.32 120.40 123.33 2wdk s VAL 84 Ca 0.01 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2wdk s VAL 84 Cb -0.16 -3.34 0.02 0.00 0.56 0.00 0.00 36.38 33.46 2wdk s VAL 84 CO -0.08 0.08 0.01 -0.13 -0.31 0.00 0.00 175.10 174.67 2wdk s ARG 85 N -2.58 0.09 0.28 4.82 0.52 0.98 -1.50 118.95 121.56 2wdk s ARG 85 Ca 0.31 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 2wdk s ARG 85 Cb -0.12 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.06 2wdk s ARG 85 CO 0.24 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.85 2wdk n GLY 86 N 3.97 -3.60 3.77 -3.53 0.00 -1.26 -1.48 105.19 103.06 2wdk n GLY 86 Ca -0.25 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 2wdk n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdk s THR 87 N -3.78 3.06 -0.30 2.61 2.01 -1.26 -4.12 115.64 113.88 2wdk s THR 87 Ca 0.00 0.59 -0.27 0.00 0.31 0.00 0.00 61.69 62.32 2wdk s THR 87 Cb 0.00 -3.17 0.20 0.00 0.01 0.00 0.00 72.50 69.54 2wdk s THR 87 CO 0.00 -0.21 1.44 -0.83 -0.69 0.00 0.00 174.62 174.33 2wdk s GLY 88 N -2.05 0.26 0.58 4.40 0.00 -1.24 -4.36 107.32 104.91 2wdk s GLY 88 Ca 0.71 3.26 0.30 0.00 0.00 0.00 0.00 44.72 48.99 2wdk s GLY 88 CO 0.34 1.53 1.79 0.00 0.00 0.00 0.00 173.10 176.76 2wdk h ALA 89 N 2.51 2.52 -0.30 3.20 0.00 -1.76 0.82 119.26 126.25 2wdk h ALA 89 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wdk h ALA 89 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wdk h ALA 89 CO 0.20 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.82 2wdk n GLY 90 N -1.60 1.75 0.37 0.00 0.00 -1.25 -4.16 105.19 100.30 2wdk n GLY 90 Ca 0.14 -0.47 0.20 0.00 0.00 0.00 0.00 46.02 45.89 2wdk n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wdk h ARG 91 N 2.73 0.50 0.03 1.61 1.12 0.33 -1.66 114.38 119.03 2wdk h ARG 91 Ca 0.00 -0.03 -0.29 0.00 -1.11 0.00 0.00 59.98 58.55 2wdk h ARG 91 Cb 0.73 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.55 2wdk h ARG 91 CO 0.00 0.33 -1.59 1.49 -3.11 0.00 0.00 179.97 177.09 2wdk h GLU 92 N 0.51 0.07 0.00 0.20 4.57 -1.82 -3.32 114.58 114.79 2wdk h GLU 92 Ca 0.63 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 2wdk h GLU 92 Cb 1.34 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2wdk h GLU 92 CO -0.41 0.76 -0.15 1.96 -1.18 0.00 0.00 179.01 179.99 2wdk h GLN 93 N 0.02 0.00 0.34 1.92 1.08 -1.69 0.12 115.11 116.89 2wdk h GLN 93 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2wdk h GLN 93 Cb 1.97 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.38 2wdk h GLN 93 CO 0.10 0.15 -0.40 0.00 -0.95 0.00 0.00 178.83 177.73 2wdk h ALA 94 N 1.85 -0.85 -0.26 3.87 0.00 -1.42 0.42 119.26 122.87 2wdk h ALA 94 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wdk h ALA 94 Cb 0.52 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wdk h ALA 94 CO 0.02 -1.02 0.00 0.44 0.00 0.00 0.00 179.25 178.69 2wdk n ILE 95 N -5.49 0.00 -0.26 0.00 -0.00 -1.00 -2.26 119.36 110.35 2wdk n ILE 95 Ca -0.10 1.00 0.21 0.00 -0.00 0.00 0.00 62.75 63.87 2wdk n ILE 95 Cb 0.39 -1.96 0.40 0.00 -0.00 0.00 0.00 39.64 38.47 2wdk n ILE 95 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2wdk n ARG 96 N -1.87 -0.05 -0.05 6.28 1.74 -0.01 0.13 116.66 122.84 2wdk n ARG 96 Ca 0.00 1.11 -0.16 0.00 -0.77 0.00 0.00 57.85 58.03 2wdk n ARG 96 Cb 0.00 -1.93 -0.07 0.00 -1.02 0.00 0.00 32.46 29.44 2wdk n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdk h ALA 97 N 1.57 0.32 0.00 7.54 0.00 -0.98 -3.03 119.26 124.68 2wdk h ALA 97 Ca 0.62 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wdk h ALA 97 Cb 1.55 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2wdk h ALA 97 CO -0.64 0.57 -0.01 -0.07 0.00 0.00 0.00 179.25 179.10 2wdk h LEU 98 N 0.44 0.00 0.00 0.00 3.38 0.15 -3.14 115.31 116.14 2wdk h LEU 98 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wdk h LEU 98 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wdk h LEU 98 CO 0.13 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.66 2wdk n GLN 99 N -3.10 0.00 -2.71 1.13 1.13 0.01 -3.85 117.38 109.99 2wdk n GLN 99 Ca -0.00 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.10 2wdk n GLN 99 Cb 0.26 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 2wdk n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wdk s ALA 100 N -2.92 2.98 0.00 -1.58 0.00 -1.19 -4.46 121.76 114.58 2wdk s ALA 100 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2wdk s ALA 100 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2wdk s ALA 100 CO 0.00 -2.87 0.00 -1.13 0.00 0.00 0.00 175.76 171.76 2wdk n SER 101 N 8.36 0.00 0.00 0.00 3.41 -1.25 -4.84 113.62 119.30 2wdk n SER 101 Ca 0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2wdk n SER 101 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2wdk n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdk n GLY 102 N 0.00 0.54 3.18 5.00 0.00 -1.26 -4.83 105.19 107.83 2wdk n GLY 102 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2wdk n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdk s LEU 103 N 0.00 1.97 -0.30 0.99 2.01 -1.26 -4.86 118.68 117.23 2wdk s LEU 103 Ca 0.00 -0.44 -0.29 0.00 0.01 0.00 0.00 54.13 53.41 2wdk s LEU 103 Cb 0.00 -1.18 0.01 0.00 0.01 0.00 0.00 46.19 45.03 2wdk s LEU 103 CO 0.00 0.17 1.06 -1.58 1.01 0.00 0.00 176.35 177.00 2wdk s GLN 104 N 0.12 4.11 -0.24 1.70 0.74 -1.07 -4.77 119.66 120.25 2wdk s GLN 104 Ca -0.09 1.12 -0.04 0.00 0.05 0.00 0.00 55.36 56.40 2wdk s GLN 104 Cb -0.14 -3.71 -0.13 0.00 1.10 0.00 0.00 33.01 30.13 2wdk s GLN 104 CO 0.04 -0.83 2.25 1.33 -0.55 0.00 0.00 175.29 177.53 2wdk n VAL 105 N 5.73 1.91 0.12 1.34 0.24 -1.26 -2.51 118.33 123.90 2wdk n VAL 105 Ca 0.12 -1.02 0.03 0.00 -2.04 0.00 0.00 64.34 61.43 2wdk n VAL 105 Cb 0.47 -1.88 0.04 0.00 -1.47 0.00 0.00 33.84 31.00 2wdk n VAL 105 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wdk n LYS 106 N 3.09 0.01 -3.63 7.34 4.81 -0.88 -4.53 118.16 124.38 2wdk n LYS 106 Ca 0.30 0.51 -0.01 0.00 -0.87 0.00 0.00 58.31 58.24 2wdk n LYS 106 Cb 0.42 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 2wdk n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wdk s SER 107 N -2.66 -0.01 -0.07 3.14 0.15 -1.23 -4.93 113.70 108.09 2wdk s SER 107 Ca -0.00 -0.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.61 2wdk s SER 107 Cb 0.01 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 2wdk s SER 107 CO 0.05 -0.02 0.16 -0.63 1.20 0.00 0.00 173.24 174.00 2wdk s ILE 108 N -2.03 -0.03 -0.03 6.45 1.01 -1.26 0.02 121.20 125.33 2wdk s ILE 108 Ca 0.12 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 2wdk s ILE 108 Cb 0.01 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.24 2wdk s ILE 108 CO -0.03 0.05 0.23 -0.69 0.00 0.00 0.00 174.94 174.50 2wdk s VAL 109 N 0.84 0.05 -0.54 2.92 1.01 0.62 -4.94 120.40 120.36 2wdk s VAL 109 Ca -0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2wdk s VAL 109 Cb -0.08 -0.49 0.14 0.00 0.00 0.00 0.00 36.38 35.95 2wdk s VAL 109 CO -0.04 -0.24 0.41 -0.62 0.00 0.00 0.00 175.10 174.60 2wdk s ASP 110 N -1.00 5.69 -0.50 3.32 2.15 -1.26 0.06 116.67 125.13 2wdk s ASP 110 Ca -0.11 -2.23 0.01 0.00 0.43 0.00 0.00 52.55 50.66 2wdk s ASP 110 Cb -0.05 -1.98 0.52 0.00 -0.30 0.00 0.00 42.92 41.10 2wdk s ASP 110 CO 0.02 -0.60 1.93 -0.67 -0.17 0.00 0.00 175.17 175.68 2wdk n ASP 111 N 4.45 5.43 -4.66 -0.34 4.64 -0.56 -4.94 116.55 120.57 2wdk n ASP 111 Ca -0.01 -3.55 -0.47 0.00 -1.38 0.00 0.00 54.79 49.38 2wdk n ASP 111 Cb 0.41 -0.89 -0.04 0.00 -1.04 0.00 0.00 41.12 39.55 2wdk n ASP 111 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 2wdk n THR 112 N -0.86 0.05 -2.40 5.18 -1.04 -1.20 -4.85 114.28 109.16 2wdk n THR 112 Ca 0.56 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 62.13 2wdk n THR 112 Cb 1.15 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 68.19 2wdk n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wdk s PRO 113 N 0.78 4.44 -0.06 -2.82 0.04 -1.26 -4.96 135.00 131.16 2wdk s PRO 113 Ca 0.79 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2wdk s PRO 113 Cb -0.71 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 30.54 2wdk s PRO 113 CO 0.40 -0.23 0.13 0.54 0.04 0.00 0.00 177.00 177.87 2wdk s VAL 114 N 0.84 -0.08 0.48 -0.36 0.11 -1.26 -5.01 120.40 115.12 2wdk s VAL 114 Ca 0.58 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.70 2wdk s VAL 114 Cb -0.30 -0.22 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 2wdk s VAL 114 CO 0.31 0.09 0.93 -2.16 -3.33 0.00 0.00 175.10 170.93 2wdk s PRO 115 N 1.35 3.92 -0.72 1.54 0.04 -1.26 -4.96 135.00 134.92 2wdk s PRO 115 Ca -0.07 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 2wdk s PRO 115 Cb -0.12 -2.21 0.23 0.00 0.04 0.00 0.00 34.50 32.45 2wdk s PRO 115 CO -0.05 -0.19 2.31 0.72 0.04 0.00 0.00 177.00 179.83 2wdk n HIS 116 N -1.44 2.44 -1.27 0.56 8.25 -1.26 -4.62 115.22 117.88 2wdk n HIS 116 Ca 0.05 -2.20 0.00 0.00 -0.26 0.00 0.00 57.72 55.32 2wdk n HIS 116 Cb 0.54 -1.28 0.00 0.00 1.12 0.00 0.00 29.99 30.37 2wdk n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wdk n ASN 117 N 0.07 -1.70 0.00 0.41 5.03 -1.26 -5.10 115.26 112.71 2wdk n ASN 117 Ca 0.52 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.97 2wdk n ASN 117 Cb 0.35 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 2wdk n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wdk n GLY 118 N -0.97 1.59 3.90 7.41 0.00 -1.26 -5.03 105.19 110.84 2wdk n GLY 118 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wdk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk s ARG 120 N -4.22 2.74 0.51 0.00 3.52 -1.26 -5.02 118.95 115.23 2wdk s ARG 120 Ca 0.47 1.77 0.07 0.00 -0.13 0.00 0.00 55.73 57.92 2wdk s ARG 120 Cb -0.10 -1.91 0.05 0.00 -1.56 0.00 0.00 34.95 31.43 2wdk s ARG 120 CO 0.37 -1.37 0.70 -2.14 -0.81 0.00 0.00 175.30 172.06 2wdk s PRO 121 N -3.55 2.52 1.04 5.12 0.02 -1.26 -5.09 135.00 133.80 2wdk s PRO 121 Ca 0.76 -1.35 -0.12 0.00 0.02 0.00 0.00 61.00 60.31 2wdk s PRO 121 Cb -0.29 -2.66 0.21 0.00 0.02 0.00 0.00 34.50 31.78 2wdk s PRO 121 CO 0.37 -0.62 1.07 0.15 -0.33 0.00 0.00 177.00 177.64 2wdk s LYS 122 N -4.57 0.09 0.39 5.54 1.02 -1.26 -4.72 119.74 116.23 2wdk s LYS 122 Ca 0.59 0.90 0.20 0.00 0.02 0.00 0.00 55.97 57.68 2wdk s LYS 122 Cb -0.08 -1.67 0.72 0.00 -0.52 0.00 0.00 37.83 36.28 2wdk s LYS 122 CO 0.37 -3.06 1.74 -0.22 -0.92 0.00 0.00 175.35 173.26 2wdk h LYS 123 N -2.15 0.00 -0.61 1.68 3.64 -1.98 -0.20 116.57 116.95 2wdk h LYS 123 Ca -0.55 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.87 2wdk h LYS 123 Cb 1.31 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 2wdk h LYS 123 CO 0.51 0.33 0.36 -0.22 -2.27 0.00 0.00 179.45 178.16 2wdk h LYS 124 N 0.00 0.66 -0.00 1.90 3.64 -2.04 -1.32 116.57 119.41 2wdk h LYS 124 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wdk h LYS 124 Cb 0.88 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2wdk h LYS 124 CO 0.04 0.44 -0.42 1.19 -2.27 0.00 0.00 179.45 178.43 2wdk n PHE 125 N -4.77 0.00 1.52 1.91 3.01 -1.11 -4.06 117.46 113.96 2wdk n PHE 125 Ca 0.06 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.57 2wdk n PHE 125 Cb 0.12 -0.18 0.25 0.00 -0.01 0.00 0.00 39.48 39.66 2wdk n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wdk n ARG 126 N -1.13 0.76 0.28 -1.08 1.74 -0.10 -3.42 116.66 113.72 2wdk n ARG 126 Ca 0.08 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.31 2wdk n ARG 126 Cb 0.34 -1.17 0.71 0.00 -1.02 0.00 0.00 32.46 31.32 2wdk n ARG 126 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdk h LYS 127 N 0.00 0.00 -6.03 5.56 1.79 -1.70 -3.37 116.57 112.81 2wdk h LYS 127 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2wdk h LYS 127 Cb 0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 2wdk h LYS 127 CO 0.00 0.00 -0.14 0.00 -1.08 0.00 0.00 179.45 178.23 2wdk s ALA 128 N -4.19 3.63 -1.12 3.86 0.00 -1.22 -5.21 121.76 117.51 2wdk s ALA 128 Ca -0.03 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.88 2wdk s ALA 128 Cb 0.09 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.78 2wdk s ALA 128 CO 0.30 0.38 0.78 0.45 0.00 0.00 0.00 175.76 177.67