#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n ARG 12 N 0.00 0.88 -1.52 1.97 0.63 -1.26 -4.90 116.66 112.46 2wdm n ARG 12 Ca 0.00 -1.81 -0.48 0.00 -0.92 0.00 0.00 57.85 54.64 2wdm n ARG 12 Cb 0.00 -3.30 -0.05 0.00 0.45 0.00 0.00 32.46 29.56 2wdm n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wdm n GLN 13 N 7.86 1.47 -4.10 -0.14 6.02 -1.26 -4.96 117.38 122.27 2wdm n GLN 13 Ca 0.46 0.41 -0.32 0.00 -0.01 0.00 0.00 57.00 57.53 2wdm n GLN 13 Cb 0.44 -2.77 -0.07 0.00 1.02 0.00 0.00 30.24 28.87 2wdm n GLN 13 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2wdm s VAL 14 N 7.53 4.70 -0.15 5.09 -7.23 -1.23 -4.97 120.40 124.13 2wdm s VAL 14 Ca 1.05 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 60.49 2wdm s VAL 14 Cb -0.65 -3.16 -0.25 0.00 0.56 0.00 0.00 36.38 32.88 2wdm s VAL 14 CO 0.44 0.31 0.63 0.00 -0.31 0.00 0.00 175.10 176.17 2wdm h ALA 15 N 3.96 0.07 -2.08 1.32 0.00 -1.84 -3.37 119.26 117.32 2wdm h ALA 15 Ca -0.49 -0.71 -0.65 0.00 0.00 0.00 0.00 54.91 53.07 2wdm h ALA 15 Cb 1.18 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 2wdm h ALA 15 CO 0.63 0.22 0.23 0.45 0.00 0.00 0.00 179.25 180.78 2wdm s SER 16 N -6.44 6.33 0.00 0.00 0.15 -1.26 -0.80 113.70 111.67 2wdm s SER 16 Ca -0.21 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2wdm s SER 16 Cb -0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2wdm s SER 16 CO 0.67 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2wdm n GLY 17 N 5.06 3.46 2.78 9.45 0.00 0.07 -4.21 105.19 121.80 2wdm n GLY 17 Ca -0.01 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 2wdm n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdm s ARG 18 N -1.39 0.19 -0.15 1.61 3.52 -1.04 -2.92 118.95 118.77 2wdm s ARG 18 Ca 0.00 0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 2wdm s ARG 18 Cb 0.00 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.90 2wdm s ARG 18 CO 0.00 -0.18 -0.05 0.00 -0.81 0.00 0.00 175.30 174.26 2wdm s ALA 19 N 1.25 2.96 -0.08 6.12 0.00 -0.13 0.29 121.76 132.18 2wdm s ALA 19 Ca -0.07 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2wdm s ALA 19 Cb -0.13 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2wdm s ALA 19 CO -0.02 0.25 -0.13 0.71 0.00 0.00 0.00 175.76 176.57 2wdm s TYR 20 N 0.26 2.76 -0.13 0.00 1.51 0.17 -1.08 117.35 120.85 2wdm s TYR 20 Ca -0.04 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 2wdm s TYR 20 Cb -0.14 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2wdm s TYR 20 CO 0.03 0.06 -0.17 0.42 -1.11 0.00 0.00 175.55 174.78 2wdm s ILE 21 N -0.34 2.65 -0.31 2.71 1.09 0.17 -1.52 121.20 125.65 2wdm s ILE 21 Ca 0.03 -0.80 0.04 0.00 -1.10 0.00 0.00 60.65 58.82 2wdm s ILE 21 Cb -0.13 -2.09 0.08 0.00 -1.06 0.00 0.00 42.46 39.27 2wdm s ILE 21 CO 0.02 0.53 -0.01 -2.28 -0.10 0.00 0.00 174.94 173.11 2wdm s HIS 22 N 0.46 3.54 -0.98 3.97 2.46 0.18 0.05 115.29 124.96 2wdm s HIS 22 Ca -0.12 -2.72 -0.12 0.00 0.47 0.00 0.00 55.06 52.57 2wdm s HIS 22 Cb -0.16 -2.53 0.24 0.00 -0.13 0.00 0.00 32.58 30.00 2wdm s HIS 22 CO 0.05 -0.92 0.96 0.00 -2.47 0.00 0.00 174.74 172.37 2wdm s ALA 23 N 0.99 4.37 1.07 1.58 0.00 -0.52 -0.49 121.76 128.76 2wdm s ALA 23 Ca 0.03 -3.55 -0.16 0.00 0.00 0.00 0.00 51.96 48.28 2wdm s ALA 23 Cb -0.19 -3.58 0.23 0.00 0.00 0.00 0.00 23.12 19.57 2wdm s ALA 23 CO -0.07 -2.29 1.15 0.45 0.00 0.00 0.00 175.76 175.01 2wdm s SER 24 N 1.84 2.06 0.05 0.00 0.15 0.29 -3.65 113.70 114.44 2wdm s SER 24 Ca 0.25 0.70 0.23 0.00 0.70 0.00 0.00 55.95 57.83 2wdm s SER 24 Cb -0.10 -1.03 -0.06 0.00 -1.71 0.00 0.00 66.02 63.13 2wdm s SER 24 CO -0.08 -3.43 0.91 -1.22 1.20 0.00 0.00 173.24 170.62 2wdm n TYR 25 N -4.30 0.30 0.36 3.44 4.02 -1.26 -4.09 117.16 115.63 2wdm n TYR 25 Ca 0.11 0.09 0.06 0.00 -0.01 0.00 0.00 57.90 58.15 2wdm n TYR 25 Cb 0.59 -0.50 0.08 0.00 -0.02 0.00 0.00 39.34 39.49 2wdm n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wdm n ASN 26 N -2.10 2.32 0.00 7.72 3.02 -1.26 -4.59 115.26 120.36 2wdm n ASN 26 Ca 0.01 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 2wdm n ASN 26 Cb 0.47 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2wdm n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wdm n ASN 27 N 0.72 0.00 -3.76 6.41 5.15 -1.26 -3.10 115.26 119.42 2wdm n ASN 27 Ca 0.09 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.93 2wdm n ASN 27 Cb 0.36 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.45 2wdm n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wdm s THR 28 N -2.00 -0.05 -0.04 -0.44 2.01 -1.25 -0.55 115.64 113.33 2wdm s THR 28 Ca 0.00 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.21 2wdm s THR 28 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.36 2wdm s THR 28 CO 0.00 0.08 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.42 2wdm s ILE 29 N 1.08 0.72 -0.14 1.82 1.10 0.35 -0.63 121.20 125.51 2wdm s ILE 29 Ca -0.09 -0.28 0.01 0.00 -0.51 0.00 0.00 60.65 59.78 2wdm s ILE 29 Cb -0.12 -0.68 0.02 0.00 0.15 0.00 0.00 42.46 41.83 2wdm s ILE 29 CO -0.04 0.25 -0.16 0.68 -2.11 0.00 0.00 174.94 173.56 2wdm s VAL 30 N 0.51 1.64 -0.15 4.00 -7.23 0.16 0.49 120.40 119.83 2wdm s VAL 30 Ca -0.08 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 2wdm s VAL 30 Cb -0.12 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2wdm s VAL 30 CO 0.01 0.47 -0.09 0.28 -0.31 0.00 0.00 175.10 175.46 2wdm s THR 31 N 1.31 3.42 -0.30 5.32 -1.32 -0.57 -1.70 115.64 121.80 2wdm s THR 31 Ca 0.02 -0.53 -0.06 0.00 -1.21 0.00 0.00 61.69 59.90 2wdm s THR 31 Cb -0.13 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 2wdm s THR 31 CO -0.08 0.51 0.07 -0.63 -2.21 0.00 0.00 174.62 172.28 2wdm s ILE 32 N 0.41 3.87 0.00 5.08 1.01 0.02 -0.65 121.20 130.94 2wdm s ILE 32 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2wdm s ILE 32 Cb -0.15 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2wdm s ILE 32 CO 0.04 0.06 0.00 0.35 0.00 0.00 0.00 174.94 175.39 2wdm n THR 33 N 4.85 0.00 -3.92 2.92 -2.24 0.15 -1.01 114.28 115.03 2wdm n THR 33 Ca -0.14 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 2wdm n THR 33 Cb 0.47 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.04 2wdm n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wdm n ASP 34 N 0.00 2.00 0.00 3.42 5.75 -1.23 -2.49 116.55 124.00 2wdm n ASP 34 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2wdm n ASP 34 Cb 0.00 0.05 0.03 0.00 -1.03 0.00 0.00 41.12 40.16 2wdm n ASP 34 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2wdm n PRO 35 N -0.71 0.02 -0.08 0.11 -0.02 -1.26 -1.06 135.00 132.00 2wdm n PRO 35 Ca -0.04 0.20 0.04 0.00 -2.02 0.00 0.00 63.50 61.68 2wdm n PRO 35 Cb 0.22 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.28 2wdm n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdm n ASP 36 N -1.21 2.38 -2.74 2.55 10.43 -1.26 -4.99 116.55 121.71 2wdm n ASP 36 Ca 0.01 -2.35 -0.15 0.00 2.57 0.00 0.00 54.79 54.87 2wdm n ASP 36 Cb 0.01 -0.18 0.06 0.00 1.84 0.00 0.00 41.12 42.84 2wdm n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wdm n GLY 37 N -0.58 -0.13 3.09 0.44 0.00 -0.22 -5.00 105.19 102.79 2wdm n GLY 37 Ca 0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2wdm n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdm s ASN 38 N -3.62 5.12 -0.06 1.61 0.02 -1.26 -4.83 114.94 111.93 2wdm s ASN 38 Ca 0.20 -2.33 -0.06 0.00 -1.02 0.00 0.00 52.86 49.66 2wdm s ASN 38 Cb -0.09 -1.80 -0.02 0.00 0.02 0.00 0.00 41.25 39.36 2wdm s ASN 38 CO 0.52 -0.46 0.19 -2.65 0.02 0.00 0.00 177.10 174.73 2wdm n PRO 39 N 4.17 0.00 -0.12 -0.60 -0.02 -1.26 -3.53 135.00 133.63 2wdm n PRO 39 Ca 0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.26 2wdm n PRO 39 Cb 0.40 -0.18 -0.09 0.00 -0.02 0.00 0.00 33.50 33.60 2wdm n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdm n ILE 40 N 0.48 1.31 -3.60 4.25 2.08 -0.18 -4.91 119.36 118.79 2wdm n ILE 40 Ca 0.04 -0.37 -0.11 0.00 0.56 0.00 0.00 62.75 62.87 2wdm n ILE 40 Cb -0.01 -1.71 -0.06 0.00 -0.75 0.00 0.00 39.64 37.11 2wdm n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2wdm s THR 41 N -2.44 0.00 0.37 1.39 2.01 -0.98 -5.01 115.64 110.98 2wdm s THR 41 Ca -0.33 0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.71 2wdm s THR 41 Cb 0.12 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2wdm s THR 41 CO 0.44 0.00 0.08 -1.66 -0.69 0.00 0.00 174.62 172.80 2wdm s TRP 42 N -0.40 1.89 -0.29 4.92 1.48 -1.26 -0.80 118.94 124.49 2wdm s TRP 42 Ca -0.00 -1.08 -0.25 0.00 -1.06 0.00 0.00 56.10 53.71 2wdm s TRP 42 Cb -0.03 -1.25 0.14 0.00 -1.16 0.00 0.00 33.47 31.17 2wdm s TRP 42 CO -0.02 -0.10 1.12 0.45 -4.06 0.00 0.00 176.95 174.35 2wdm s SER 43 N -3.56 -0.36 0.19 -2.66 0.15 -0.69 -4.72 113.70 102.06 2wdm s SER 43 Ca 0.30 0.70 -0.01 0.00 0.70 0.00 0.00 55.95 57.64 2wdm s SER 43 Cb 0.06 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 2wdm s SER 43 CO 0.14 -0.12 0.11 -0.94 1.20 0.00 0.00 173.24 173.63 2wdm s SER 44 N 0.18 0.35 0.55 5.45 1.04 -1.26 -0.66 113.70 119.35 2wdm s SER 44 Ca 0.04 -1.35 0.42 0.00 0.48 0.00 0.00 55.95 55.55 2wdm s SER 44 Cb -0.05 0.33 1.62 0.00 0.10 0.00 0.00 66.02 68.02 2wdm s SER 44 CO -0.08 -0.79 1.70 1.23 0.98 0.00 0.00 173.24 176.28 2wdm h GLY 45 N 2.64 0.05 1.81 7.32 0.00 -1.14 0.84 103.07 114.58 2wdm h GLY 45 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2wdm h GLY 45 CO 0.56 -0.01 -0.19 -1.33 0.00 0.00 0.00 176.54 175.57 2wdm h GLY 46 N 0.01 0.00 1.80 4.60 0.00 -1.86 -3.25 103.07 104.36 2wdm h GLY 46 Ca 0.73 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.90 2wdm h GLY 46 CO -0.02 0.00 -0.68 -2.08 0.00 0.00 0.00 176.54 173.75 2wdm h VAL 47 N 0.00 1.42 -4.05 4.60 2.07 0.47 -3.41 116.25 117.35 2wdm h VAL 47 Ca 0.00 -2.18 -0.45 0.00 0.82 0.00 0.00 66.70 64.89 2wdm h VAL 47 Cb 0.97 2.15 0.16 0.00 -1.52 0.00 0.00 31.29 33.05 2wdm h VAL 47 CO 0.00 0.64 0.41 -0.63 0.02 0.00 0.00 177.57 178.01 2wdm s ILE 48 N -3.58 1.99 -0.61 4.57 -1.09 -1.15 -4.86 121.20 116.47 2wdm s ILE 48 Ca -0.03 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.34 2wdm s ILE 48 Cb 0.11 -2.98 -0.08 0.00 -1.58 0.00 0.00 42.46 37.94 2wdm s ILE 48 CO 0.80 0.00 2.10 0.61 -1.23 0.00 0.00 174.94 177.22 2wdm n GLY 49 N -3.64 2.76 3.26 6.18 0.00 -1.26 -4.77 105.19 107.71 2wdm n GLY 49 Ca 0.15 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2wdm n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdm s TYR 50 N 3.01 -0.04 -0.18 1.61 4.12 -1.25 -5.13 117.35 119.49 2wdm s TYR 50 Ca 0.37 -0.30 -0.29 0.00 0.02 0.00 0.00 57.07 56.87 2wdm s TYR 50 Cb 0.12 0.10 0.11 0.00 -1.52 0.00 0.00 41.96 40.77 2wdm s TYR 50 CO -0.02 -0.61 0.94 -1.59 0.02 0.00 0.00 175.55 174.29 2wdm s LYS 51 N -3.66 0.65 2.65 -0.62 -2.85 -1.26 -4.09 119.74 110.57 2wdm s LYS 51 Ca 0.03 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.33 2wdm s LYS 51 Cb 0.03 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2wdm s LYS 51 CO -0.10 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.59 2wdm n GLY 52 N 1.27 1.16 0.10 0.59 0.00 -1.26 -3.98 105.19 103.07 2wdm n GLY 52 Ca -0.12 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 2wdm n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wdm h SER 53 N 0.00 0.36 0.00 1.61 4.64 -2.00 -3.17 113.55 114.98 2wdm h SER 53 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2wdm h SER 53 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2wdm h SER 53 CO 0.00 1.31 0.00 0.54 -0.87 0.00 0.00 176.83 177.81 2wdm n ARG 54 N -3.50 0.34 -0.04 4.77 1.74 -1.26 -2.24 116.66 116.48 2wdm n ARG 54 Ca -0.08 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 2wdm n ARG 54 Cb 1.01 -1.01 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 2wdm n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdm n LYS 55 N -0.46 0.71 0.09 5.56 5.02 -1.20 -3.85 118.16 124.03 2wdm n LYS 55 Ca 0.00 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.65 2wdm n LYS 55 Cb 0.00 -1.67 0.39 0.00 -0.02 0.00 0.00 35.03 33.73 2wdm n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdm n GLY 56 N 1.95 -0.93 3.28 0.72 0.00 -0.95 -3.77 105.19 105.49 2wdm n GLY 56 Ca -0.35 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 2wdm n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdm n THR 57 N -1.97 0.56 0.11 2.61 -1.04 -1.25 -3.76 114.28 109.54 2wdm n THR 57 Ca 0.01 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.05 61.29 2wdm n THR 57 Cb 0.11 -0.19 -0.16 0.00 -1.82 0.00 0.00 70.33 68.27 2wdm n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wdm h PRO 58 N -0.13 0.47 -0.63 -2.82 0.13 -1.86 -2.90 132.00 124.25 2wdm h PRO 58 Ca -0.43 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 63.91 2wdm h PRO 58 Cb 1.41 0.30 -0.03 0.00 0.13 0.00 0.00 31.00 32.81 2wdm h PRO 58 CO 0.40 1.38 0.41 -0.92 -0.23 0.00 0.00 178.00 179.04 2wdm h TYR 59 N 0.00 0.80 0.32 1.56 3.20 -1.91 -0.64 116.97 120.31 2wdm h TYR 59 Ca -0.24 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 2wdm h TYR 59 Cb 2.03 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 40.03 2wdm h TYR 59 CO 0.14 0.51 -0.16 0.00 -1.64 0.00 0.00 178.16 177.02 2wdm h ALA 60 N 1.59 -0.44 -0.11 1.82 0.00 -1.85 0.11 119.26 120.38 2wdm h ALA 60 Ca 0.23 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2wdm h ALA 60 Cb -0.08 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wdm h ALA 60 CO -0.05 -0.60 0.51 0.00 0.00 0.00 0.00 179.25 179.11 2wdm h ALA 61 N -0.18 1.65 0.00 0.00 0.00 -1.18 0.36 119.26 119.91 2wdm h ALA 61 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wdm h ALA 61 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wdm h ALA 61 CO 0.07 -0.57 -0.01 0.37 0.00 0.00 0.00 179.25 179.12 2wdm h GLN 62 N 0.00 0.00 -0.96 0.00 4.15 -0.23 -2.91 115.11 115.17 2wdm h GLN 62 Ca 0.05 0.00 0.30 0.00 0.77 0.00 0.00 58.65 59.78 2wdm h GLN 62 Cb 1.07 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.60 2wdm h GLN 62 CO -0.00 0.00 0.33 -0.07 -1.93 0.00 0.00 178.83 177.16 2wdm h LEU 63 N -0.16 0.07 -0.59 -2.39 3.38 0.80 0.82 115.31 117.25 2wdm h LEU 63 Ca 0.00 0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 2wdm h LEU 63 Cb 0.01 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wdm h LEU 63 CO 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 178.44 178.25 2wdm h ALA 64 N 1.89 0.80 -0.16 1.53 0.00 -0.54 -0.31 119.26 122.46 2wdm h ALA 64 Ca 0.67 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2wdm h ALA 64 Cb 1.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2wdm h ALA 64 CO -0.73 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 2wdm h ALA 65 N 0.97 1.60 0.10 0.00 0.00 0.80 -0.51 119.26 122.23 2wdm h ALA 65 Ca 0.17 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 2wdm h ALA 65 Cb 0.58 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.31 2wdm h ALA 65 CO 0.03 0.29 -1.17 -0.07 0.00 0.00 0.00 179.25 178.33 2wdm h LEU 66 N 0.24 0.86 -0.15 0.00 3.38 -0.67 -2.78 115.31 116.18 2wdm h LEU 66 Ca 0.05 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 2wdm h LEU 66 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wdm h LEU 66 CO 0.01 1.58 0.03 -0.78 0.09 0.00 0.00 178.44 179.37 2wdm h ASP 67 N 0.25 0.23 -0.78 -0.43 -0.00 -0.78 1.07 116.42 115.98 2wdm h ASP 67 Ca -0.17 -0.25 0.11 0.00 -0.00 0.00 0.00 57.03 56.72 2wdm h ASP 67 Cb 1.85 -0.06 -0.05 0.00 -0.00 0.00 0.00 39.33 41.06 2wdm h ASP 67 CO 0.23 0.41 0.51 0.00 -0.00 0.00 0.00 179.24 180.39 2wdm h ALA 68 N 0.82 1.85 0.21 -0.78 0.00 -1.18 0.37 119.26 120.55 2wdm h ALA 68 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wdm h ALA 68 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wdm h ALA 68 CO 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.12 2wdm h ALA 69 N 1.62 -0.34 -1.20 0.00 0.00 -1.15 -2.43 119.26 115.76 2wdm h ALA 69 Ca 0.37 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.60 2wdm h ALA 69 Cb 0.57 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 2wdm h ALA 69 CO -0.14 -0.32 0.76 -0.22 0.00 0.00 0.00 179.25 179.33 2wdm h LYS 70 N -0.85 0.19 0.18 0.00 3.64 0.16 0.94 116.57 120.82 2wdm h LYS 70 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2wdm h LYS 70 Cb 0.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2wdm h LYS 70 CO 0.05 0.12 -0.09 0.87 -2.27 0.00 0.00 179.45 178.13 2wdm h LYS 71 N 0.19 -0.24 0.00 1.90 1.57 -0.34 -3.13 116.57 116.52 2wdm h LYS 71 Ca 0.75 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.55 2wdm h LYS 71 Cb 2.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.53 2wdm h LYS 71 CO -0.42 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 178.64 2wdm n ALA 72 N -2.54 1.25 -0.14 3.86 0.00 -0.19 -2.11 120.51 120.64 2wdm n ALA 72 Ca -0.08 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 2wdm n ALA 72 Cb 0.26 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2wdm n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2wdm h MET 73 N 0.00 0.73 -0.97 0.00 2.86 -0.84 -2.10 114.93 114.61 2wdm h MET 73 Ca 0.00 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2wdm h MET 73 Cb 0.11 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 2wdm h MET 73 CO 0.00 0.83 0.63 0.00 1.06 0.00 0.00 176.91 179.43 2wdm h ALA 74 N 0.87 1.48 0.00 6.32 0.00 -1.53 0.68 119.26 127.08 2wdm h ALA 74 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wdm h ALA 74 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wdm h ALA 74 CO 0.03 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2wdm n TYR 75 N -4.53 0.00 -3.04 0.00 4.02 -1.16 -4.78 117.16 107.68 2wdm n TYR 75 Ca 0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.93 2wdm n TYR 75 Cb 0.25 -0.04 0.05 0.00 -0.02 0.00 0.00 39.34 39.58 2wdm n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdm n GLY 76 N 0.17 0.10 3.72 2.72 0.00 0.23 -3.50 105.19 108.63 2wdm n GLY 76 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2wdm n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wdm s MET 77 N -5.51 4.52 0.00 1.61 0.00 -0.80 -4.07 119.30 115.05 2wdm s MET 77 Ca 0.25 1.66 0.00 0.00 0.00 0.00 0.00 55.69 57.61 2wdm s MET 77 Cb -0.11 -3.35 0.00 0.00 0.00 0.00 0.00 34.83 31.37 2wdm s MET 77 CO 0.40 -0.09 0.00 1.04 0.00 0.00 0.00 175.02 176.37 2wdm n GLN 78 N 3.41 0.00 -4.26 4.11 1.13 0.02 -4.73 117.38 117.06 2wdm n GLN 78 Ca 0.06 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.89 2wdm n GLN 78 Cb 0.47 -0.10 -0.07 0.00 0.11 0.00 0.00 30.24 30.66 2wdm n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2wdm s SER 79 N -1.54 4.71 0.12 1.08 1.04 -1.22 -2.56 113.70 115.32 2wdm s SER 79 Ca 0.00 -0.59 -0.17 0.00 0.48 0.00 0.00 55.95 55.68 2wdm s SER 79 Cb 0.00 -0.93 0.04 0.00 0.10 0.00 0.00 66.02 65.23 2wdm s SER 79 CO 0.00 -0.01 0.42 0.68 0.98 0.00 0.00 173.24 175.30 2wdm s VAL 80 N -2.30 0.06 -0.16 5.02 -7.23 -1.07 -0.75 120.40 113.97 2wdm s VAL 80 Ca 0.32 -0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 59.91 2wdm s VAL 80 Cb -0.07 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2wdm s VAL 80 CO 0.21 -0.29 0.00 -1.81 -0.31 0.00 0.00 175.10 172.90 2wdm s ASP 81 N -2.71 5.12 0.04 4.85 1.11 -1.15 -2.08 116.67 121.85 2wdm s ASP 81 Ca 0.02 -0.05 -0.17 0.00 0.18 0.00 0.00 52.55 52.53 2wdm s ASP 81 Cb 0.01 -1.85 -0.06 0.00 1.07 0.00 0.00 42.92 42.09 2wdm s ASP 81 CO -0.11 0.17 0.50 -0.69 1.18 0.00 0.00 175.17 176.22 2wdm s VAL 82 N 0.34 4.88 -0.15 -1.27 1.01 0.16 -0.95 120.40 124.41 2wdm s VAL 82 Ca -0.01 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 2wdm s VAL 82 Cb -0.13 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2wdm s VAL 82 CO 0.02 0.56 0.07 -0.63 0.00 0.00 0.00 175.10 175.12 2wdm s ILE 83 N -1.06 0.07 0.08 2.22 1.01 -0.24 -0.30 121.20 122.99 2wdm s ILE 83 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2wdm s ILE 83 Cb -0.18 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 2wdm s ILE 83 CO 0.16 -0.18 0.10 0.68 0.00 0.00 0.00 174.94 175.70 2wdm s VAL 84 N 2.07 4.63 -0.02 2.92 -7.23 0.95 0.42 120.40 124.13 2wdm s VAL 84 Ca 0.02 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2wdm s VAL 84 Cb -0.16 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.57 2wdm s VAL 84 CO -0.08 0.12 0.01 -0.13 -0.31 0.00 0.00 175.10 174.71 2wdm s ARG 85 N -2.43 0.14 0.26 4.82 0.52 0.11 -1.53 118.95 120.84 2wdm s ARG 85 Ca 0.30 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 2wdm s ARG 85 Cb -0.12 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.00 2wdm s ARG 85 CO 0.23 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.83 2wdm n GLY 86 N 4.02 -3.58 3.77 -3.53 0.00 -1.26 -1.44 105.19 103.17 2wdm n GLY 86 Ca -0.26 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2wdm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdm s THR 87 N -3.59 3.09 -0.30 2.61 2.01 -1.26 -4.10 115.64 114.10 2wdm s THR 87 Ca 0.00 0.59 -0.27 0.00 0.31 0.00 0.00 61.69 62.32 2wdm s THR 87 Cb 0.00 -3.16 0.20 0.00 0.01 0.00 0.00 72.50 69.55 2wdm s THR 87 CO 0.00 -0.23 1.43 -0.83 -0.69 0.00 0.00 174.62 174.30 2wdm s GLY 88 N -2.12 0.23 0.57 4.40 0.00 -1.24 -4.35 107.32 104.82 2wdm s GLY 88 Ca 0.71 3.18 0.31 0.00 0.00 0.00 0.00 44.72 48.92 2wdm s GLY 88 CO 0.35 1.44 1.81 0.00 0.00 0.00 0.00 173.10 176.70 2wdm h ALA 89 N 2.41 2.64 -0.32 3.20 0.00 -1.76 0.73 119.26 126.17 2wdm h ALA 89 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wdm h ALA 89 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wdm h ALA 89 CO 0.20 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.77 2wdm n GLY 90 N -1.64 1.77 0.39 0.00 0.00 -1.25 -4.18 105.19 100.29 2wdm n GLY 90 Ca 0.16 -0.49 0.22 0.00 0.00 0.00 0.00 46.02 45.91 2wdm n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wdm h ARG 91 N 2.87 0.41 0.03 1.61 1.12 0.15 -1.78 114.38 118.80 2wdm h ARG 91 Ca 0.00 -0.02 -0.30 0.00 -1.11 0.00 0.00 59.98 58.55 2wdm h ARG 91 Cb 0.76 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.58 2wdm h ARG 91 CO 0.00 0.27 -1.68 1.49 -3.11 0.00 0.00 179.97 176.94 2wdm h GLU 92 N 0.42 0.06 0.00 0.20 4.57 -1.82 -3.33 114.58 114.69 2wdm h GLU 92 Ca 0.62 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 2wdm h GLU 92 Cb 1.50 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.12 2wdm h GLU 92 CO -0.36 0.70 -0.16 1.96 -1.18 0.00 0.00 179.01 179.97 2wdm h GLN 93 N 0.02 0.00 0.37 1.92 1.08 -1.70 0.55 115.11 117.34 2wdm h GLN 93 Ca -0.28 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2wdm h GLN 93 Cb 2.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.40 2wdm h GLN 93 CO 0.09 0.16 -0.42 0.00 -0.95 0.00 0.00 178.83 177.71 2wdm h ALA 94 N 1.84 -0.90 -0.06 3.87 0.00 -1.45 0.72 119.26 123.28 2wdm h ALA 94 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wdm h ALA 94 Cb 0.51 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wdm h ALA 94 CO 0.02 -1.05 0.00 0.44 0.00 0.00 0.00 179.25 178.66 2wdm n ILE 95 N -5.50 0.00 -0.27 0.00 -0.00 -1.00 -2.32 119.36 110.26 2wdm n ILE 95 Ca -0.10 1.03 0.19 0.00 -0.00 0.00 0.00 62.75 63.87 2wdm n ILE 95 Cb 0.40 -2.02 0.36 0.00 -0.00 0.00 0.00 39.64 38.39 2wdm n ILE 95 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2wdm n ARG 96 N -1.97 -0.06 -0.07 6.28 1.74 0.15 0.11 116.66 122.84 2wdm n ARG 96 Ca 0.00 1.16 -0.15 0.00 -0.77 0.00 0.00 57.85 58.10 2wdm n ARG 96 Cb 0.00 -1.97 -0.05 0.00 -1.02 0.00 0.00 32.46 29.42 2wdm n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdm h ALA 97 N 1.62 0.41 0.00 7.54 0.00 -0.93 -2.98 119.26 124.92 2wdm h ALA 97 Ca 0.59 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wdm h ALA 97 Cb 1.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2wdm h ALA 97 CO -0.69 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.06 2wdm h LEU 98 N 0.55 0.00 0.00 0.00 3.38 0.12 -3.16 115.31 116.20 2wdm h LEU 98 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2wdm h LEU 98 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2wdm h LEU 98 CO 0.11 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.65 2wdm n GLN 99 N -3.11 0.00 -2.71 1.13 1.13 -0.02 -3.81 117.38 109.99 2wdm n GLN 99 Ca -0.00 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.09 2wdm n GLN 99 Cb 0.26 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.23 2wdm n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wdm s ALA 100 N -2.91 2.98 0.00 -1.58 0.00 -1.19 -4.45 121.76 114.60 2wdm s ALA 100 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2wdm s ALA 100 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2wdm s ALA 100 CO 0.00 -2.86 0.00 -1.13 0.00 0.00 0.00 175.76 171.77 2wdm n SER 101 N 8.33 0.00 0.00 0.00 3.41 -1.25 -4.84 113.62 119.27 2wdm n SER 101 Ca 0.01 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 2wdm n SER 101 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2wdm n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdm n GLY 102 N 0.00 0.57 3.19 5.00 0.00 -1.26 -4.83 105.19 107.85 2wdm n GLY 102 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2wdm n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdm s LEU 103 N 0.00 1.98 -0.30 0.99 2.01 -1.26 -4.86 118.68 117.23 2wdm s LEU 103 Ca 0.00 -0.46 -0.29 0.00 0.01 0.00 0.00 54.13 53.39 2wdm s LEU 103 Cb 0.00 -1.22 0.01 0.00 0.01 0.00 0.00 46.19 45.00 2wdm s LEU 103 CO 0.00 0.17 1.11 -1.58 1.01 0.00 0.00 176.35 177.05 2wdm s GLN 104 N 0.17 4.07 -0.30 1.70 0.74 -1.06 -4.77 119.66 120.21 2wdm s GLN 104 Ca -0.10 1.14 -0.04 0.00 0.05 0.00 0.00 55.36 56.40 2wdm s GLN 104 Cb -0.15 -3.75 -0.11 0.00 1.10 0.00 0.00 33.01 30.10 2wdm s GLN 104 CO 0.05 -0.90 2.16 1.33 -0.55 0.00 0.00 175.29 177.38 2wdm n VAL 105 N 5.85 1.88 0.09 1.34 0.24 -1.26 -2.59 118.33 123.87 2wdm n VAL 105 Ca 0.12 -1.02 0.05 0.00 -2.04 0.00 0.00 64.34 61.45 2wdm n VAL 105 Cb 0.47 -1.89 0.07 0.00 -1.47 0.00 0.00 33.84 31.02 2wdm n VAL 105 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wdm n LYS 106 N 3.24 0.01 -3.62 7.34 4.81 -0.89 -4.54 118.16 124.52 2wdm n LYS 106 Ca 0.30 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 58.26 2wdm n LYS 106 Cb 0.37 -1.40 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 2wdm n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wdm s SER 107 N -2.75 -0.02 -0.07 3.14 0.15 -1.23 -4.93 113.70 107.98 2wdm s SER 107 Ca -0.00 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 2wdm s SER 107 Cb 0.02 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2wdm s SER 107 CO 0.08 -0.04 0.17 -0.63 1.20 0.00 0.00 173.24 174.01 2wdm s ILE 108 N -2.07 -0.03 -0.02 6.45 1.01 -1.26 0.36 121.20 125.63 2wdm s ILE 108 Ca 0.12 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 2wdm s ILE 108 Cb 0.01 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.23 2wdm s ILE 108 CO -0.03 0.05 0.22 -0.69 0.00 0.00 0.00 174.94 174.49 2wdm s VAL 109 N 0.86 0.06 -0.51 2.92 1.01 0.59 -4.94 120.40 120.38 2wdm s VAL 109 Ca -0.06 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2wdm s VAL 109 Cb -0.08 -0.48 0.13 0.00 0.00 0.00 0.00 36.38 35.95 2wdm s VAL 109 CO -0.05 -0.25 0.37 -0.62 0.00 0.00 0.00 175.10 174.56 2wdm s ASP 110 N -1.02 5.65 -0.51 3.32 2.15 -1.26 -0.04 116.67 124.96 2wdm s ASP 110 Ca -0.11 -2.13 0.01 0.00 0.43 0.00 0.00 52.55 50.75 2wdm s ASP 110 Cb -0.05 -1.98 0.53 0.00 -0.30 0.00 0.00 42.92 41.12 2wdm s ASP 110 CO 0.02 -0.62 1.94 -0.67 -0.17 0.00 0.00 175.17 175.68 2wdm n ASP 111 N 4.58 5.47 -4.66 -0.34 4.64 -0.58 -4.94 116.55 120.72 2wdm n ASP 111 Ca -0.03 -3.59 -0.47 0.00 -1.38 0.00 0.00 54.79 49.32 2wdm n ASP 111 Cb 0.41 -0.90 -0.04 0.00 -1.04 0.00 0.00 41.12 39.55 2wdm n ASP 111 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 2wdm n THR 112 N -0.91 0.05 -2.43 5.18 -1.04 -1.20 -4.85 114.28 109.07 2wdm n THR 112 Ca 0.57 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 62.15 2wdm n THR 112 Cb 1.17 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 2wdm n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wdm s PRO 113 N 0.78 4.46 -0.07 -2.82 0.04 -1.26 -4.96 135.00 131.17 2wdm s PRO 113 Ca 0.79 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.57 2wdm s PRO 113 Cb -0.72 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 30.53 2wdm s PRO 113 CO 0.40 -0.20 0.14 0.54 0.04 0.00 0.00 177.00 177.91 2wdm s VAL 114 N 0.83 -0.10 0.48 -0.36 0.11 -1.26 -5.01 120.40 115.10 2wdm s VAL 114 Ca 0.57 0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 59.69 2wdm s VAL 114 Cb -0.30 -0.24 -0.08 0.00 -1.53 0.00 0.00 36.38 34.24 2wdm s VAL 114 CO 0.30 0.10 0.94 -2.16 -3.33 0.00 0.00 175.10 170.95 2wdm s PRO 115 N 1.45 3.95 -0.74 1.54 0.04 -1.26 -4.95 135.00 135.03 2wdm s PRO 115 Ca -0.06 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 61.84 2wdm s PRO 115 Cb -0.12 -2.19 0.22 0.00 0.04 0.00 0.00 34.50 32.45 2wdm s PRO 115 CO -0.06 -0.20 2.33 0.72 0.04 0.00 0.00 177.00 179.84 2wdm n HIS 116 N -1.41 2.39 -1.31 0.56 8.25 -1.26 -4.61 115.22 117.83 2wdm n HIS 116 Ca 0.06 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.30 2wdm n HIS 116 Cb 0.54 -1.31 0.00 0.00 1.12 0.00 0.00 29.99 30.34 2wdm n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wdm n ASN 117 N 0.20 -1.74 0.00 0.41 5.03 -1.26 -5.10 115.26 112.80 2wdm n ASN 117 Ca 0.52 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.97 2wdm n ASN 117 Cb 0.36 -0.78 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 2wdm n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wdm n GLY 118 N -0.97 1.47 3.90 7.41 0.00 -1.26 -5.03 105.19 110.70 2wdm n GLY 118 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wdm n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm s ARG 120 N -4.16 2.60 0.54 0.00 3.52 -1.26 -5.01 118.95 115.18 2wdm s ARG 120 Ca 0.48 1.75 0.07 0.00 -0.13 0.00 0.00 55.73 57.90 2wdm s ARG 120 Cb -0.10 -1.89 0.06 0.00 -1.56 0.00 0.00 34.95 31.46 2wdm s ARG 120 CO 0.36 -1.48 0.75 -2.14 -0.81 0.00 0.00 175.30 171.99 2wdm s PRO 121 N -3.66 2.41 1.00 5.12 0.02 -1.26 -5.09 135.00 133.54 2wdm s PRO 121 Ca 0.75 -1.33 -0.12 0.00 0.02 0.00 0.00 61.00 60.32 2wdm s PRO 121 Cb -0.29 -2.62 0.19 0.00 0.02 0.00 0.00 34.50 31.80 2wdm s PRO 121 CO 0.39 -0.74 1.08 0.15 -0.33 0.00 0.00 177.00 177.55 2wdm s LYS 122 N -4.65 0.38 0.38 5.54 1.02 -1.26 -4.74 119.74 116.42 2wdm s LYS 122 Ca 0.60 0.86 0.19 0.00 0.02 0.00 0.00 55.97 57.64 2wdm s LYS 122 Cb -0.08 -1.70 0.73 0.00 -0.52 0.00 0.00 37.83 36.26 2wdm s LYS 122 CO 0.38 -2.85 1.76 -0.22 -0.92 0.00 0.00 175.35 173.49 2wdm h LYS 123 N -2.00 0.00 -0.59 1.68 3.64 -1.98 -0.02 116.57 117.30 2wdm h LYS 123 Ca -0.53 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.89 2wdm h LYS 123 Cb 1.31 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 2wdm h LYS 123 CO 0.52 0.36 0.33 -0.22 -2.27 0.00 0.00 179.45 178.17 2wdm h LYS 124 N 0.00 0.61 -0.00 1.90 3.64 -2.04 -1.30 116.57 119.38 2wdm h LYS 124 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wdm h LYS 124 Cb 0.85 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2wdm h LYS 124 CO 0.05 0.41 -0.42 1.19 -2.27 0.00 0.00 179.45 178.41 2wdm n PHE 125 N -4.81 0.00 1.44 1.91 3.01 -1.10 -4.03 117.46 113.89 2wdm n PHE 125 Ca 0.06 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.57 2wdm n PHE 125 Cb 0.13 -0.22 0.29 0.00 -0.01 0.00 0.00 39.48 39.68 2wdm n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wdm n ARG 126 N -1.25 0.72 0.28 -1.08 1.74 -0.04 -3.40 116.66 113.64 2wdm n ARG 126 Ca 0.08 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.31 2wdm n ARG 126 Cb 0.34 -1.21 0.72 0.00 -1.02 0.00 0.00 32.46 31.28 2wdm n ARG 126 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdm h LYS 127 N 0.00 0.00 -6.03 5.56 1.79 -1.70 -3.38 116.57 112.82 2wdm h LYS 127 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2wdm h LYS 127 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 2wdm h LYS 127 CO 0.00 0.00 -0.14 0.00 -1.08 0.00 0.00 179.45 178.23 2wdm s ALA 128 N -4.18 3.62 -1.14 3.86 0.00 -1.22 -5.21 121.76 117.49 2wdm s ALA 128 Ca -0.03 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.88 2wdm s ALA 128 Cb 0.09 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.77 2wdm s ALA 128 CO 0.30 0.36 0.79 0.45 0.00 0.00 0.00 175.76 177.66