#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k78 s ALA 26 N 0.00 3.15 -1.77 -0.43 0.00 -1.26 -4.42 121.76 117.04 2k78 s ALA 26 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2k78 s ALA 26 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2k78 s ALA 26 CO 0.00 -0.80 0.00 -1.71 0.00 0.00 0.00 175.76 173.25 2k78 n ASN 27 N 4.92 -5.04 -4.14 0.00 4.05 -1.26 -4.90 115.26 108.89 2k78 n ASN 27 Ca -0.15 0.38 -0.43 0.00 0.45 0.00 0.00 54.58 54.83 2k78 n ASN 27 Cb 0.49 -4.04 0.00 0.00 1.23 0.00 0.00 39.78 37.46 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k78 n ALA 28 N 1.01 4.73 -3.00 5.20 0.00 -1.26 -4.89 120.51 122.30 2k78 n ALA 28 Ca -0.17 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 48.80 2k78 n ALA 28 Cb 0.57 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2k78 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k78 n ALA 29 N 3.59 0.00 -2.46 0.00 0.00 -1.26 -4.91 120.51 115.47 2k78 n ALA 29 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.61 2k78 n ALA 29 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 2k78 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k78 n ASP 30 N 0.00 -4.73 -3.55 0.00 9.92 -1.26 -4.91 116.55 112.02 2k78 n ASP 30 Ca 0.00 0.09 -0.17 0.00 -0.53 0.00 0.00 54.79 54.18 2k78 n ASP 30 Cb 0.00 -3.97 -0.06 0.00 -0.64 0.00 0.00 41.12 36.44 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2k78 s SER 31 N -2.07 -0.66 0.02 -2.24 1.04 -1.26 -1.04 113.70 107.49 2k78 s SER 31 Ca 0.02 0.85 -0.25 0.00 0.48 0.00 0.00 55.95 57.04 2k78 s SER 31 Cb -0.01 0.72 0.08 0.00 0.10 0.00 0.00 66.02 66.92 2k78 s SER 31 CO 0.02 -0.53 1.16 0.61 0.98 0.00 0.00 173.24 175.48 2k78 n GLY 32 N 1.30 0.32 3.63 7.32 0.00 -0.08 -4.97 105.19 112.72 2k78 n GLY 32 Ca -0.18 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2k78 n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k78 s THR 33 N -2.04 4.92 -0.12 2.61 -4.23 -1.26 0.14 115.64 115.66 2k78 s THR 33 Ca 0.27 1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 61.88 2k78 s THR 33 Cb -0.01 -4.01 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 2k78 s THR 33 CO 0.01 -0.03 0.37 -0.22 -0.54 0.00 0.00 174.62 174.20 2k78 s LEU 34 N 2.64 4.29 -0.01 4.79 0.20 0.32 -4.76 118.68 126.16 2k78 s LEU 34 Ca 0.29 0.68 -0.30 0.00 0.69 0.00 0.00 54.13 55.49 2k78 s LEU 34 Cb -0.15 -2.50 -0.03 0.00 -0.43 0.00 0.00 46.19 43.07 2k78 s LEU 34 CO 0.08 0.11 1.03 0.21 -0.29 0.00 0.00 176.35 177.50 2k78 s ASN 35 N 0.25 7.28 0.12 3.68 2.47 -1.00 -1.08 114.94 126.66 2k78 s ASN 35 Ca 0.21 1.71 -0.25 0.00 0.42 0.00 0.00 52.86 54.94 2k78 s ASN 35 Cb -0.14 -2.57 0.07 0.00 -1.45 0.00 0.00 41.25 37.16 2k78 s ASN 35 CO 0.07 -0.35 0.83 -0.72 -3.72 0.00 0.00 177.10 173.21 2k78 s TYR 36 N 1.26 -0.30 0.00 0.43 1.13 -1.26 -0.21 117.35 118.39 2k78 s TYR 36 Ca 0.53 0.05 0.00 0.00 -1.41 0.00 0.00 57.07 56.23 2k78 s TYR 36 Cb -0.22 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 2k78 s TYR 36 CO 0.26 -0.80 0.00 -1.91 -2.51 0.00 0.00 175.55 170.59 2k78 n GLU 37 N -0.37 0.00 -4.21 -3.49 4.07 -0.74 -4.82 120.64 111.07 2k78 n GLU 37 Ca -0.09 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.87 2k78 n GLU 37 Cb 0.62 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.91 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2k78 s VAL 38 N -2.74 0.00 0.04 6.31 -7.23 -1.26 -1.16 120.40 114.35 2k78 s VAL 38 Ca 0.00 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2k78 s VAL 38 Cb 0.00 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2k78 s VAL 38 CO 0.00 0.00 0.24 -0.31 -0.31 0.00 0.00 175.10 174.72 2k78 s TYR 39 N -3.84 -0.02 0.35 2.82 2.02 -0.48 -3.89 117.35 114.31 2k78 s TYR 39 Ca 0.38 -0.16 -0.28 0.00 -0.37 0.00 0.00 57.07 56.64 2k78 s TYR 39 Cb 0.05 0.03 -0.10 0.00 -0.40 0.00 0.00 41.96 41.53 2k78 s TYR 39 CO 0.18 -0.46 1.30 0.21 -1.57 0.00 0.00 175.55 175.21 2k78 s LYS 40 N -2.50 4.29 0.54 -0.62 2.47 -0.87 -1.64 119.74 121.40 2k78 s LYS 40 Ca -0.05 2.18 -0.21 0.00 -1.56 0.00 0.00 55.97 56.33 2k78 s LYS 40 Cb -0.01 -3.01 -0.05 0.00 -1.46 0.00 0.00 37.83 33.30 2k78 s LYS 40 CO -0.03 -0.23 1.29 -0.47 0.16 0.00 0.00 175.35 176.06 2k78 s TYR 41 N -1.17 2.41 0.00 4.03 5.04 -1.26 -1.91 117.35 124.49 2k78 s TYR 41 Ca 0.50 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 2k78 s TYR 41 Cb -0.39 -3.66 0.00 0.00 0.35 0.00 0.00 41.96 38.26 2k78 s TYR 41 CO 0.52 -2.50 0.00 -1.71 -1.34 0.00 0.00 175.55 170.51 2k78 n ASN 42 N -1.05 -2.78 -0.85 4.32 5.15 -1.26 -4.93 115.26 113.85 2k78 n ASN 42 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2k78 n ASN 42 Cb 0.47 -1.84 0.00 0.00 -0.53 0.00 0.00 39.78 37.88 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2k78 n THR 43 N -2.27 0.00 -0.97 -0.44 -2.24 -0.80 -5.07 114.28 102.49 2k78 n THR 43 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2k78 n THR 43 Cb 0.16 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 2k78 n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k78 n ASN 44 N -2.00 0.89 -3.89 3.42 3.02 -1.26 -4.71 115.26 110.73 2k78 n ASN 44 Ca 0.00 -1.81 -0.17 0.00 -0.03 0.00 0.00 54.58 52.57 2k78 n ASN 44 Cb 0.00 -0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 38.90 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k78 s ASP 45 N -0.93 0.58 0.30 6.41 -1.08 -1.26 -4.88 116.67 115.81 2k78 s ASP 45 Ca 0.05 -0.07 -0.29 0.00 -0.52 0.00 0.00 52.55 51.71 2k78 s ASP 45 Cb 0.04 -0.22 -0.11 0.00 -1.46 0.00 0.00 42.92 41.18 2k78 s ASP 45 CO 0.00 -0.03 1.51 -0.89 0.52 0.00 0.00 175.17 176.29 2k78 s THR 46 N 0.57 2.26 0.00 1.71 2.01 -1.25 -2.05 115.64 118.88 2k78 s THR 46 Ca -0.06 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2k78 s THR 46 Cb -0.10 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2k78 s THR 46 CO -0.01 0.04 0.00 -0.24 -0.69 0.00 0.00 174.62 173.73 2k78 n SER 47 N 1.75 2.73 0.00 3.53 2.88 -1.26 -4.79 113.62 118.46 2k78 n SER 47 Ca 0.06 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2k78 n SER 47 Cb 0.39 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 2k78 n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k78 n ILE 48 N -0.96 0.00 -0.20 2.46 -0.00 -1.26 -4.85 119.36 114.55 2k78 n ILE 48 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 62.75 63.05 2k78 n ILE 48 Cb 0.00 -0.08 0.62 0.00 -0.00 0.00 0.00 39.64 40.19 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k78 h ALA 49 N 0.00 2.85 -0.27 -1.39 0.00 -1.97 0.85 119.26 119.33 2k78 h ALA 49 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k78 h ALA 49 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k78 h ALA 49 CO 0.00 -1.47 0.43 -2.95 0.00 0.00 0.00 179.25 175.26 2k78 h ASN 50 N 0.00 0.00 -0.57 0.00 7.08 -1.90 0.30 115.58 120.50 2k78 h ASN 50 Ca 0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.69 2k78 h ASN 50 Cb 2.38 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.62 2k78 h ASN 50 CO -0.00 0.00 0.00 0.47 -2.08 0.00 0.00 177.43 175.82 2k78 n ASP 51 N -3.39 4.59 0.00 6.14 8.00 0.29 -4.32 116.55 127.86 2k78 n ASP 51 Ca 0.04 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 53.02 2k78 n ASP 51 Cb 0.56 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2k78 n ASP 51 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k78 n TYR 52 N 0.83 0.00 -4.08 1.24 4.02 0.10 -4.98 117.16 114.29 2k78 n TYR 52 Ca 0.24 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.80 2k78 n TYR 52 Cb 0.88 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 40.04 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2k78 s PHE 53 N -0.90 3.01 0.95 -0.72 0.40 -1.12 -3.01 117.98 116.60 2k78 s PHE 53 Ca 0.00 -1.93 -0.12 0.00 -0.60 0.00 0.00 56.93 54.28 2k78 s PHE 53 Cb 0.00 -1.94 0.16 0.00 0.51 0.00 0.00 43.02 41.75 2k78 s PHE 53 CO 0.00 -0.83 1.11 1.21 0.70 0.00 0.00 175.22 177.41 2k78 s ASN 54 N 1.21 3.07 0.12 1.36 2.47 -1.25 -4.97 114.94 116.96 2k78 s ASN 54 Ca -0.01 1.10 -0.09 0.00 0.42 0.00 0.00 52.86 54.27 2k78 s ASN 54 Cb -0.16 -1.73 -0.00 0.00 -1.45 0.00 0.00 41.25 37.91 2k78 s ASN 54 CO -0.09 -2.84 0.24 -1.59 -3.72 0.00 0.00 177.10 169.10 2k78 s LYS 55 N -5.11 0.97 0.47 0.43 -2.85 -1.26 -4.65 119.74 107.74 2k78 s LYS 55 Ca 0.64 -1.03 -0.06 0.00 -1.00 0.00 0.00 55.97 54.53 2k78 s LYS 55 Cb -0.17 0.36 0.10 0.00 -2.06 0.00 0.00 37.83 36.07 2k78 s LYS 55 CO 0.56 -0.33 0.64 -0.35 0.10 0.00 0.00 175.35 175.96 2k78 n PRO 56 N -0.13 -0.41 -1.27 1.78 -0.04 -1.26 -5.14 135.00 128.53 2k78 n PRO 56 Ca -0.12 -1.17 -0.03 0.00 -0.04 0.00 0.00 63.50 62.14 2k78 n PRO 56 Cb 0.63 -0.60 0.01 0.00 -0.04 0.00 0.00 33.50 33.49 2k78 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k78 n ALA 57 N -3.30 0.18 -3.89 0.55 0.00 -0.24 -4.87 120.51 108.93 2k78 n ALA 57 Ca -0.10 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 2k78 n ALA 57 Cb 0.30 0.08 -0.17 0.00 0.00 0.00 0.00 19.45 19.67 2k78 n ALA 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k78 s LYS 58 N -2.42 1.83 0.33 0.00 1.02 -1.18 0.12 119.74 119.43 2k78 s LYS 58 Ca 0.09 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2k78 s LYS 58 Cb -0.01 -1.75 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2k78 s LYS 58 CO 0.06 -0.22 0.51 1.52 -0.92 0.00 0.00 175.35 176.30 2k78 s TYR 59 N 1.51 3.40 -0.24 3.18 -0.85 0.12 -0.28 117.35 124.19 2k78 s TYR 59 Ca 0.03 0.17 -0.08 0.00 -0.52 0.00 0.00 57.07 56.66 2k78 s TYR 59 Cb -0.13 -1.88 0.10 0.00 0.38 0.00 0.00 41.96 40.43 2k78 s TYR 59 CO -0.08 0.12 0.51 -1.50 -1.52 0.00 0.00 175.55 173.08 2k78 s ILE 60 N -2.25 -0.71 -0.13 -3.49 2.07 0.15 -0.90 121.20 115.95 2k78 s ILE 60 Ca 0.40 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.73 2k78 s ILE 60 Cb -0.09 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.73 2k78 s ILE 60 CO 0.34 0.04 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.82 2k78 s LYS 61 N 2.60 1.26 -1.22 3.50 3.01 -0.21 0.28 119.74 128.96 2k78 s LYS 61 Ca -0.04 -0.27 -0.04 0.00 -1.01 0.00 0.00 55.97 54.60 2k78 s LYS 61 Cb -0.11 -1.63 0.19 0.00 -1.01 0.00 0.00 37.83 35.27 2k78 s LYS 61 CO -0.15 -0.35 2.12 1.63 0.51 0.00 0.00 175.35 179.11 2k78 n LYS 62 N 4.97 4.76 -2.74 1.68 5.02 -0.83 -4.41 118.16 126.61 2k78 n LYS 62 Ca -0.11 -3.89 -0.02 0.00 -2.02 0.00 0.00 58.31 52.27 2k78 n LYS 62 Cb 0.49 -2.60 -0.02 0.00 -0.02 0.00 0.00 35.03 32.88 2k78 n LYS 62 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k78 n ASN 63 N 1.37 -4.17 0.00 4.39 4.05 -1.26 -4.25 115.26 115.40 2k78 n ASN 63 Ca 0.54 1.20 0.00 0.00 0.45 0.00 0.00 54.58 56.77 2k78 n ASN 63 Cb 0.27 -3.35 0.00 0.00 1.23 0.00 0.00 39.78 37.92 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 64 N 2.11 2.47 3.12 8.20 0.00 -1.26 -5.03 105.19 114.80 2k78 n GLY 64 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2k78 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s LYS 65 N -0.96 0.65 -0.26 1.61 0.00 -1.26 -5.16 119.74 114.36 2k78 s LYS 65 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 55.97 54.71 2k78 s LYS 65 Cb 0.00 0.24 0.07 0.00 0.00 0.00 0.00 37.83 38.14 2k78 s LYS 65 CO 0.00 -0.15 0.67 -0.48 0.00 0.00 0.00 175.35 175.39 2k78 s LEU 66 N -2.70 -0.64 0.33 2.77 -0.00 -1.26 -1.97 118.68 115.22 2k78 s LEU 66 Ca 0.03 1.38 0.05 0.00 -0.00 0.00 0.00 54.13 55.59 2k78 s LEU 66 Cb 0.05 2.32 -0.02 0.00 -0.00 0.00 0.00 46.19 48.53 2k78 s LEU 66 CO -0.09 -0.24 0.31 -0.31 -0.00 0.00 0.00 176.35 176.03 2k78 s TYR 67 N 0.57 1.62 -0.08 3.48 1.51 0.14 -4.07 117.35 120.52 2k78 s TYR 67 Ca -0.02 -1.59 -0.09 0.00 -1.01 0.00 0.00 57.07 54.36 2k78 s TYR 67 Cb -0.05 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 2k78 s TYR 67 CO -0.03 -0.92 0.25 0.14 -1.11 0.00 0.00 175.55 173.88 2k78 s VAL 68 N -3.38 0.01 -0.01 0.71 -7.23 -0.97 0.32 120.40 109.85 2k78 s VAL 68 Ca 0.39 -0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.42 2k78 s VAL 68 Cb 0.02 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2k78 s VAL 68 CO 0.26 -0.05 0.23 0.00 -0.31 0.00 0.00 175.10 175.24 2k78 s GLN 69 N -0.08 3.53 -0.07 4.82 -2.07 0.61 -0.54 119.66 125.86 2k78 s GLN 69 Ca -0.02 -0.13 0.05 0.00 -1.82 0.00 0.00 55.36 53.43 2k78 s GLN 69 Cb -0.02 -3.10 -0.01 0.00 -1.09 0.00 0.00 33.01 28.78 2k78 s GLN 69 CO 0.01 0.67 -0.21 -1.50 -1.32 0.00 0.00 175.29 172.94 2k78 s ILE 70 N -1.26 2.40 -0.19 3.63 1.10 0.84 -3.12 121.20 124.60 2k78 s ILE 70 Ca 0.26 -0.94 -0.20 0.00 -0.51 0.00 0.00 60.65 59.25 2k78 s ILE 70 Cb -0.13 -1.91 -0.03 0.00 0.15 0.00 0.00 42.46 40.54 2k78 s ILE 70 CO 0.15 0.57 0.61 -0.89 -2.11 0.00 0.00 174.94 173.27 2k78 s THR 71 N -0.16 5.04 -0.17 4.00 2.01 -1.26 -1.58 115.64 123.51 2k78 s THR 71 Ca -0.03 1.16 -0.07 0.00 0.31 0.00 0.00 61.69 63.05 2k78 s THR 71 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2k78 s THR 71 CO 0.04 0.13 0.07 -0.69 -0.69 0.00 0.00 174.62 173.48 2k78 s VAL 72 N 1.82 4.88 -0.17 3.82 1.01 0.39 -3.84 120.40 128.31 2k78 s VAL 72 Ca 0.28 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 2k78 s VAL 72 Cb -0.16 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2k78 s VAL 72 CO 0.10 0.48 0.13 0.20 0.00 0.00 0.00 175.10 176.01 2k78 s ASN 73 N 0.20 6.24 0.14 3.32 0.01 -1.16 -1.07 114.94 122.62 2k78 s ASN 73 Ca 0.05 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 2k78 s ASN 73 Cb -0.12 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.47 2k78 s ASN 73 CO 0.00 0.27 0.00 1.57 -1.51 0.00 0.00 177.10 177.43 2k78 n HIS 74 N 2.91 -4.59 0.07 2.20 -0.00 -0.70 -4.68 115.22 110.42 2k78 n HIS 74 Ca -0.18 2.76 0.01 0.00 0.46 0.00 0.00 57.72 60.77 2k78 n HIS 74 Cb 0.53 -3.62 -0.05 0.00 -0.12 0.00 0.00 29.99 26.73 2k78 n HIS 74 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2k78 h SER 75 N 3.99 0.00 0.76 0.26 0.02 -1.80 -3.31 113.55 113.47 2k78 h SER 75 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2k78 h SER 75 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k78 h SER 75 CO 0.00 0.53 -0.37 -0.74 -1.14 0.00 0.00 176.83 175.11 2k78 h HIS 76 N 0.00 -0.95 0.28 3.45 6.17 -1.90 -3.32 115.15 118.88 2k78 h HIS 76 Ca -0.10 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 60.95 2k78 h HIS 76 Cb 1.49 0.31 -0.02 0.00 2.52 0.00 0.00 27.41 31.71 2k78 h HIS 76 CO 0.00 -0.58 -0.39 -1.49 0.71 0.00 0.00 177.93 176.17 2k78 h TRP 77 N -1.25 -1.11 -3.42 5.26 4.06 -1.76 -3.36 115.95 114.37 2k78 h TRP 77 Ca -0.10 0.02 -0.60 0.00 2.06 0.00 0.00 58.89 60.26 2k78 h TRP 77 Cb 0.79 0.45 -0.10 0.00 -1.00 0.00 0.00 29.16 29.30 2k78 h TRP 77 CO 0.00 -0.49 0.24 -1.50 -3.56 0.00 0.00 178.44 173.13 2k78 s ILE 78 N -5.13 4.95 -0.20 1.49 2.07 -1.25 -3.15 121.20 119.99 2k78 s ILE 78 Ca -0.13 1.26 0.19 0.00 -1.41 0.00 0.00 60.65 60.55 2k78 s ILE 78 Cb 0.04 -3.98 -0.01 0.00 0.13 0.00 0.00 42.46 38.64 2k78 s ILE 78 CO 0.46 0.01 1.10 0.00 -1.91 0.00 0.00 174.94 174.59 2k78 h THR 79 N 5.39 0.36 0.00 4.00 1.03 -1.56 -3.41 112.91 118.72 2k78 h THR 79 Ca -0.26 -1.63 0.00 0.00 -0.01 0.00 0.00 66.41 64.51 2k78 h THR 79 Cb 1.12 1.94 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 2k78 h THR 79 CO 0.80 0.21 0.00 0.61 -0.01 0.00 0.00 175.52 177.13 2k78 n GLY 80 N 1.27 -1.46 3.51 2.99 0.00 -1.08 -4.95 105.19 105.47 2k78 n GLY 80 Ca -0.03 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 2k78 n GLY 80 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k78 s MET 81 N -1.55 1.43 -0.20 1.61 1.75 -1.26 -2.71 119.30 118.37 2k78 s MET 81 Ca 0.00 -1.19 -0.17 0.00 -1.25 0.00 0.00 55.69 53.09 2k78 s MET 81 Cb 0.00 0.45 0.05 0.00 2.84 0.00 0.00 34.83 38.18 2k78 s MET 81 CO 0.00 -0.58 0.51 0.45 -0.65 0.00 0.00 175.02 174.75 2k78 s SER 82 N -2.99 -0.56 -0.01 1.11 0.15 0.43 -2.84 113.70 108.99 2k78 s SER 82 Ca 0.20 1.05 0.03 0.00 0.70 0.00 0.00 55.95 57.93 2k78 s SER 82 Cb 0.00 1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 65.34 2k78 s SER 82 CO 0.05 -0.19 -0.10 -0.63 1.20 0.00 0.00 173.24 173.58 2k78 s ILE 83 N 0.53 0.79 0.00 6.45 1.01 -1.10 0.96 121.20 129.84 2k78 s ILE 83 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2k78 s ILE 83 Cb -0.04 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.76 2k78 s ILE 83 CO -0.03 0.22 0.00 1.21 0.00 0.00 0.00 174.94 176.35 2k78 n GLU 84 N 2.83 0.00 0.00 2.79 2.13 -1.20 -3.08 120.64 124.11 2k78 n GLU 84 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 2k78 n GLU 84 Cb 0.57 -3.08 0.00 0.00 0.27 0.00 0.00 31.44 29.20 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k78 n GLY 85 N -2.00 1.42 3.17 8.31 0.00 -1.26 -5.04 105.19 109.79 2k78 n GLY 85 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2k78 n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k78 s HIS 86 N -2.00 0.93 0.19 1.61 -3.43 -1.18 -5.13 115.29 106.28 2k78 s HIS 86 Ca 0.00 -1.07 -0.03 0.00 -0.80 0.00 0.00 55.06 53.16 2k78 s HIS 86 Cb 0.00 -0.54 0.05 0.00 -1.43 0.00 0.00 32.58 30.65 2k78 s HIS 86 CO 0.00 -0.31 0.17 1.63 -2.00 0.00 0.00 174.74 174.23 2k78 n LYS 87 N -0.10 -1.27 -3.74 -0.38 4.01 -1.26 -2.72 118.16 112.70 2k78 n LYS 87 Ca -0.09 -0.27 -0.22 0.00 -0.51 0.00 0.00 58.31 57.22 2k78 n LYS 87 Cb 0.62 -0.25 -0.04 0.00 -0.51 0.00 0.00 35.03 34.85 2k78 n LYS 87 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2k78 s GLU 88 N -3.39 2.43 -0.19 1.97 -1.05 -1.13 -4.57 118.70 112.77 2k78 s GLU 88 Ca 0.11 -1.64 -0.01 0.00 -0.15 0.00 0.00 54.97 53.28 2k78 s GLU 88 Cb -0.01 -2.25 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 2k78 s GLU 88 CO 0.08 -0.18 -0.12 1.21 0.95 0.00 0.00 175.26 177.20 2k78 s ASN 89 N -4.07 3.77 -0.49 0.83 2.47 -1.25 -4.99 114.94 111.22 2k78 s ASN 89 Ca 0.46 -0.48 -0.27 0.00 0.42 0.00 0.00 52.86 52.98 2k78 s ASN 89 Cb -0.01 -1.61 -0.03 0.00 -1.45 0.00 0.00 41.25 38.15 2k78 s ASN 89 CO 0.26 0.02 1.94 0.27 -3.72 0.00 0.00 177.10 175.87 2k78 s ILE 90 N 1.18 3.33 -0.13 -5.21 -4.36 -1.26 -3.10 121.20 111.65 2k78 s ILE 90 Ca 0.02 0.26 0.17 0.00 -0.26 0.00 0.00 60.65 60.83 2k78 s ILE 90 Cb -0.14 -3.67 -0.23 0.00 1.25 0.00 0.00 42.46 39.67 2k78 s ILE 90 CO -0.05 -0.58 0.39 0.00 0.24 0.00 0.00 174.94 174.95 2k78 n ILE 91 N 7.42 1.31 -3.15 8.37 3.06 -0.91 -4.91 119.36 130.54 2k78 n ILE 91 Ca 0.24 -0.79 0.05 0.00 -2.50 0.00 0.00 62.75 59.75 2k78 n ILE 91 Cb 0.51 -0.63 -0.01 0.00 0.54 0.00 0.00 39.64 40.05 2k78 n ILE 91 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2k78 s SER 92 N -5.63 -0.94 -0.46 9.51 1.04 -1.24 -4.99 113.70 110.99 2k78 s SER 92 Ca -0.07 0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.52 2k78 s SER 92 Cb 0.08 1.69 0.04 0.00 0.10 0.00 0.00 66.02 67.93 2k78 s SER 92 CO 0.83 -0.17 0.54 -0.75 0.98 0.00 0.00 173.24 174.67 2k78 s LYS 93 N 2.90 3.12 -0.69 4.02 2.20 -1.26 -2.25 119.74 127.78 2k78 s LYS 93 Ca 0.14 -0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 54.77 2k78 s LYS 93 Cb -0.09 -4.03 0.14 0.00 -1.51 0.00 0.00 37.83 32.34 2k78 s LYS 93 CO -0.20 -1.04 0.73 1.21 -0.36 0.00 0.00 175.35 175.69 2k78 s ASN 94 N 2.27 6.40 0.20 1.43 3.04 0.26 -4.87 114.94 123.67 2k78 s ASN 94 Ca 0.14 -1.94 0.09 0.00 0.04 0.00 0.00 52.86 51.20 2k78 s ASN 94 Cb -0.18 -2.27 0.06 0.00 -1.54 0.00 0.00 41.25 37.32 2k78 s ASN 94 CO 0.13 -0.91 1.44 0.71 -3.04 0.00 0.00 177.10 175.43 2k78 h THR 95 N 5.59 1.54 -0.19 -5.21 1.35 -1.96 0.31 112.91 114.35 2k78 h THR 95 Ca -0.13 -2.79 -0.01 0.00 -0.55 0.00 0.00 66.41 62.94 2k78 h THR 95 Cb 1.07 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 70.00 2k78 h THR 95 CO 0.99 0.79 0.09 0.00 -0.25 0.00 0.00 175.52 177.14 2k78 h ALA 96 N 1.20 0.24 -0.56 6.62 0.00 -1.93 -2.67 119.26 122.15 2k78 h ALA 96 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k78 h ALA 96 Cb 1.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2k78 h ALA 96 CO 0.10 -0.19 0.00 1.63 0.00 0.00 0.00 179.25 180.80 2k78 n LYS 97 N -4.87 2.77 -3.68 0.00 5.02 -1.24 -4.95 118.16 111.22 2k78 n LYS 97 Ca -0.04 -2.22 -0.27 0.00 -2.02 0.00 0.00 58.31 53.76 2k78 n LYS 97 Cb 0.10 -1.61 0.04 0.00 -0.02 0.00 0.00 35.03 33.54 2k78 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k78 n ASP 98 N 1.07 -4.08 -3.80 4.39 2.03 -0.68 -4.87 116.55 110.61 2k78 n ASP 98 Ca 0.20 -0.95 -0.11 0.00 0.52 0.00 0.00 54.79 54.45 2k78 n ASP 98 Cb 0.61 -3.63 -0.08 0.00 -0.72 0.00 0.00 41.12 37.31 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k78 s GLU 99 N -5.90 0.74 0.16 -0.67 2.02 0.10 -1.72 118.70 113.43 2k78 s GLU 99 Ca 0.33 -0.57 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 2k78 s GLU 99 Cb -0.11 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 2k78 s GLU 99 CO 0.84 -0.23 0.18 0.50 0.02 0.00 0.00 175.26 176.58 2k78 s ARG 100 N -2.54 1.09 0.02 1.61 3.52 -0.23 0.93 118.95 123.34 2k78 s ARG 100 Ca -0.05 -1.35 -0.02 0.00 -0.13 0.00 0.00 55.73 54.18 2k78 s ARG 100 Cb -0.01 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 2k78 s ARG 100 CO -0.04 -0.36 0.02 0.99 -0.81 0.00 0.00 175.30 175.10 2k78 s THR 101 N -4.03 0.11 -0.06 4.11 2.01 -0.96 0.15 115.64 116.97 2k78 s THR 101 Ca 0.23 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 2k78 s THR 101 Cb 0.05 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.19 2k78 s THR 101 CO 0.03 -0.50 0.19 -0.94 -0.69 0.00 0.00 174.62 172.71 2k78 s SER 102 N -1.54 -0.17 0.08 3.53 1.04 -0.62 -2.15 113.70 113.87 2k78 s SER 102 Ca -0.14 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 2k78 s SER 102 Cb -0.08 0.36 -0.06 0.00 0.10 0.00 0.00 66.02 66.34 2k78 s SER 102 CO -0.01 -0.11 0.44 -0.70 0.98 0.00 0.00 173.24 173.84 2k78 s GLU 103 N -0.12 3.84 -0.03 4.02 2.12 -1.18 -0.11 118.70 127.25 2k78 s GLU 103 Ca -0.02 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.65 2k78 s GLU 103 Cb -0.02 -3.02 -0.00 0.00 0.26 0.00 0.00 34.13 31.34 2k78 s GLU 103 CO 0.01 0.57 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.08 2k78 s PHE 104 N -1.35 1.46 -0.16 5.30 0.08 0.30 -3.77 117.98 119.83 2k78 s PHE 104 Ca 0.32 -0.36 -0.17 0.00 0.12 0.00 0.00 56.93 56.84 2k78 s PHE 104 Cb -0.15 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2k78 s PHE 104 CO 0.17 -0.11 0.44 -1.21 -0.10 0.00 0.00 175.22 174.42 2k78 s GLU 105 N -0.06 4.25 0.26 0.44 2.02 -1.26 -2.30 118.70 122.04 2k78 s GLU 105 Ca -0.00 0.32 -0.10 0.00 0.02 0.00 0.00 54.97 55.21 2k78 s GLU 105 Cb -0.09 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 2k78 s GLU 105 CO 0.01 0.05 0.43 0.14 0.02 0.00 0.00 175.26 175.91 2k78 s VAL 106 N 1.00 0.00 -0.46 2.63 -7.23 -1.26 -4.87 120.40 110.22 2k78 s VAL 106 Ca 0.22 -1.52 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 2k78 s VAL 106 Cb -0.15 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.50 2k78 s VAL 106 CO 0.09 0.00 0.98 -0.55 -0.31 0.00 0.00 175.10 175.30 2k78 s SER 107 N -3.07 6.55 0.52 4.85 0.15 -1.26 -4.77 113.70 116.66 2k78 s SER 107 Ca 0.26 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2k78 s SER 107 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2k78 s SER 107 CO 0.11 -1.08 0.00 0.29 1.20 0.00 0.00 173.24 173.76 2k78 n LYS 108 N 7.29 0.00 -2.94 5.44 4.76 -1.26 -4.55 118.16 126.90 2k78 n LYS 108 Ca 0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 2k78 n LYS 108 Cb 0.49 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.71 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k78 n LEU 109 N 0.00 -0.89 -3.44 -0.35 -0.00 -1.26 -4.95 117.00 106.11 2k78 n LEU 109 Ca 0.00 -4.29 -0.18 0.00 -0.00 0.00 0.00 56.01 51.54 2k78 n LEU 109 Cb 0.00 0.83 -0.11 0.00 -0.00 0.00 0.00 43.42 44.14 2k78 n LEU 109 CO 0.00 2.17 -0.19 0.21 -0.00 0.00 0.00 177.39 179.58 2k78 s ASN 110 N -1.81 1.64 0.00 1.45 3.84 -1.10 0.37 114.94 119.33 2k78 s ASN 110 Ca 0.30 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.82 2k78 s ASN 110 Cb 0.32 0.43 0.00 0.00 -0.55 0.00 0.00 41.25 41.45 2k78 s ASN 110 CO -0.06 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 2k78 n GLY 111 N 5.31 0.43 3.42 1.21 0.00 0.19 -4.93 105.19 110.82 2k78 n GLY 111 Ca -0.04 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 2k78 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s LYS 112 N -0.27 1.00 0.02 1.61 -2.85 -1.26 -1.62 119.74 116.37 2k78 s LYS 112 Ca 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.95 2k78 s LYS 112 Cb 0.00 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2k78 s LYS 112 CO 0.00 -0.34 -0.07 0.42 0.10 0.00 0.00 175.35 175.46 2k78 s ILE 113 N -1.85 0.50 -0.35 3.79 1.01 -1.03 -4.93 121.20 118.34 2k78 s ILE 113 Ca -0.08 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 2k78 s ILE 113 Cb -0.01 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.96 2k78 s ILE 113 CO 0.03 -0.14 1.31 -1.81 0.00 0.00 0.00 174.94 174.34 2k78 s ASP 114 N -0.89 6.57 0.02 3.58 1.01 -1.26 -2.26 116.67 123.44 2k78 s ASP 114 Ca -0.04 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.24 2k78 s ASP 114 Cb -0.06 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 2k78 s ASP 114 CO 0.00 -1.20 0.00 0.61 0.21 0.00 0.00 175.17 174.80 2k78 n GLY 115 N 4.58 4.15 3.46 0.21 0.00 -1.15 -3.22 105.19 113.23 2k78 n GLY 115 Ca 0.15 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2k78 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 116 N -2.07 1.54 -0.14 1.61 1.02 0.27 -2.91 119.74 119.05 2k78 s LYS 116 Ca 0.00 -1.47 -0.25 0.00 0.02 0.00 0.00 55.97 54.27 2k78 s LYS 116 Cb 0.00 0.41 0.06 0.00 -0.52 0.00 0.00 37.83 37.78 2k78 s LYS 116 CO 0.00 -0.61 0.62 -1.50 -0.92 0.00 0.00 175.35 172.94 2k78 s ILE 117 N -3.84 0.01 0.17 2.17 -1.16 -0.03 0.16 121.20 118.67 2k78 s ILE 117 Ca 0.29 -0.05 0.05 0.00 -0.51 0.00 0.00 60.65 60.43 2k78 s ILE 117 Cb 0.01 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 42.15 2k78 s ILE 117 CO 0.13 -0.03 0.14 -1.81 -2.81 0.00 0.00 174.94 170.55 2k78 s ASP 118 N -0.46 5.53 0.04 4.50 1.11 -1.10 -0.38 116.67 125.90 2k78 s ASP 118 Ca -0.06 -0.13 0.04 0.00 0.18 0.00 0.00 52.55 52.58 2k78 s ASP 118 Cb -0.03 -1.45 -0.02 0.00 1.07 0.00 0.00 42.92 42.50 2k78 s ASP 118 CO 0.05 0.07 -0.11 -0.69 1.18 0.00 0.00 175.17 175.66 2k78 s VAL 119 N -1.76 0.88 -0.22 -1.27 1.01 -0.13 -2.05 120.40 116.86 2k78 s VAL 119 Ca 0.31 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2k78 s VAL 119 Cb -0.10 -0.83 0.11 0.00 0.00 0.00 0.00 36.38 35.57 2k78 s VAL 119 CO 0.23 -0.10 0.40 -0.47 0.00 0.00 0.00 175.10 175.16 2k78 s TYR 120 N -0.93 -0.82 0.03 5.22 6.14 -1.19 -2.65 117.35 123.15 2k78 s TYR 120 Ca -0.02 1.18 -0.02 0.00 0.64 0.00 0.00 57.07 58.85 2k78 s TYR 120 Cb -0.08 0.17 -0.02 0.00 0.42 0.00 0.00 41.96 42.45 2k78 s TYR 120 CO 0.01 -0.60 0.02 0.42 0.64 0.00 0.00 175.55 176.04 2k78 s ILE 121 N 2.58 0.13 -0.29 3.14 1.09 0.16 -4.34 121.20 123.67 2k78 s ILE 121 Ca 0.06 -1.06 0.05 0.00 -1.10 0.00 0.00 60.65 58.60 2k78 s ILE 121 Cb -0.14 -0.61 0.20 0.00 -1.06 0.00 0.00 42.46 40.84 2k78 s ILE 121 CO -0.14 -0.58 0.58 1.51 -0.10 0.00 0.00 174.94 176.21 2k78 s ASP 122 N -1.82 -1.50 0.04 3.58 1.47 -1.26 -0.57 116.67 116.61 2k78 s ASP 122 Ca -0.10 0.23 -0.18 0.00 1.18 0.00 0.00 52.55 53.68 2k78 s ASP 122 Cb -0.05 2.00 0.06 0.00 -0.34 0.00 0.00 42.92 44.59 2k78 s ASP 122 CO -0.03 -0.30 0.83 -1.84 0.68 0.00 0.00 175.17 174.51 2k78 n GLU 123 N 5.42 0.25 -3.29 2.11 0.28 -1.05 -4.97 120.64 119.39 2k78 n GLU 123 Ca 0.04 -0.73 -0.44 0.00 -0.16 0.00 0.00 57.16 55.87 2k78 n GLU 123 Cb 0.53 1.09 -0.07 0.00 1.43 0.00 0.00 31.44 34.43 2k78 n GLU 123 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k78 s LYS 124 N -2.02 3.04 -0.72 3.44 1.02 -1.26 0.77 119.74 124.02 2k78 s LYS 124 Ca 0.19 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 2k78 s LYS 124 Cb -0.01 -4.12 0.01 0.00 -0.52 0.00 0.00 37.83 33.19 2k78 s LYS 124 CO 0.01 -1.12 1.50 0.08 -0.92 0.00 0.00 175.35 174.91 2k78 s VAL 125 N 2.05 3.60 -1.27 3.17 1.01 0.43 -3.85 120.40 125.55 2k78 s VAL 125 Ca 0.09 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 2k78 s VAL 125 Cb -0.22 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.58 2k78 s VAL 125 CO 0.09 -1.52 0.78 -3.20 0.00 0.00 0.00 175.10 171.25 2k78 n ASN 126 N 10.62 -1.58 -0.52 3.32 4.05 -1.26 -2.28 115.26 127.61 2k78 n ASN 126 Ca 0.11 -0.77 -0.03 0.00 0.45 0.00 0.00 54.58 54.34 2k78 n ASN 126 Cb 0.50 -4.34 0.00 0.00 1.23 0.00 0.00 39.78 37.18 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 127 N -1.46 0.42 2.74 8.20 0.00 -1.25 -5.03 105.19 108.81 2k78 n GLY 127 Ca -0.29 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 2k78 n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k78 s LYS 128 N -4.48 0.24 0.15 1.61 2.20 -0.97 -5.09 119.74 113.40 2k78 s LYS 128 Ca 0.03 0.06 -0.33 0.00 -0.36 0.00 0.00 55.97 55.37 2k78 s LYS 128 Cb -0.01 -1.02 -0.12 0.00 -1.51 0.00 0.00 37.83 35.17 2k78 s LYS 128 CO 0.03 -0.79 1.72 -0.35 -0.36 0.00 0.00 175.35 175.60 2k78 n PRO 129 N 5.31 2.54 -4.35 4.03 -0.04 -1.26 0.16 135.00 141.40 2k78 n PRO 129 Ca -0.04 0.92 -0.22 0.00 -0.04 0.00 0.00 63.50 64.11 2k78 n PRO 129 Cb 0.48 -2.76 -0.13 0.00 -0.04 0.00 0.00 33.50 31.06 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2k78 s PHE 130 N 1.72 1.56 -0.31 0.54 5.36 0.23 -4.84 117.98 122.24 2k78 s PHE 130 Ca 0.79 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.34 2k78 s PHE 130 Cb -0.57 -0.89 0.10 0.00 -0.34 0.00 0.00 43.02 41.33 2k78 s PHE 130 CO 0.37 0.12 0.12 0.15 -1.46 0.00 0.00 175.22 174.51 2k78 s LYS 131 N -1.56 0.59 -0.18 10.12 1.02 -1.26 -2.54 119.74 125.93 2k78 s LYS 131 Ca 0.04 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 2k78 s LYS 131 Cb -0.09 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2k78 s LYS 131 CO 0.03 -1.01 0.09 -0.47 -0.92 0.00 0.00 175.35 173.07 2k78 s TYR 132 N 1.66 3.34 -0.44 3.18 5.04 0.26 -4.93 117.35 125.45 2k78 s TYR 132 Ca 0.10 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 2k78 s TYR 132 Cb -0.18 -2.09 0.21 0.00 0.35 0.00 0.00 41.96 40.26 2k78 s TYR 132 CO -0.26 0.27 0.91 -3.47 -1.34 0.00 0.00 175.55 171.66 2k78 n ASP 133 N 3.35 -2.59 -1.74 4.32 2.03 -1.25 -0.66 116.55 120.01 2k78 n ASP 133 Ca -0.17 -2.30 -0.05 0.00 0.52 0.00 0.00 54.79 52.80 2k78 n ASP 133 Cb 0.52 1.37 -0.00 0.00 -0.72 0.00 0.00 41.12 42.30 2k78 n ASP 133 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2k78 n HIS 134 N 2.50 -1.15 -4.50 -0.67 -0.00 -1.08 -4.99 115.22 105.32 2k78 n HIS 134 Ca 0.13 -0.84 -0.25 0.00 0.46 0.00 0.00 57.72 57.23 2k78 n HIS 134 Cb 0.61 0.28 -0.10 0.00 -0.12 0.00 0.00 29.99 30.66 2k78 n HIS 134 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k78 s HIS 135 N -5.18 2.36 -0.21 1.57 -3.43 -1.26 -0.95 115.29 108.19 2k78 s HIS 135 Ca 0.09 -0.41 -0.17 0.00 -0.80 0.00 0.00 55.06 53.77 2k78 s HIS 135 Cb -0.01 -1.20 0.06 0.00 -1.43 0.00 0.00 32.58 30.00 2k78 s HIS 135 CO 0.07 0.65 0.54 0.71 -2.00 0.00 0.00 174.74 174.70 2k78 s TYR 136 N -2.56 -0.65 0.44 0.38 2.02 0.48 -4.96 117.35 112.50 2k78 s TYR 136 Ca 0.31 1.51 -0.05 0.00 -0.37 0.00 0.00 57.07 58.47 2k78 s TYR 136 Cb -0.01 0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.77 2k78 s TYR 136 CO 0.16 -0.32 0.73 0.54 -1.57 0.00 0.00 175.55 175.09 2k78 s ASN 137 N 0.61 6.30 0.07 2.29 2.20 -1.26 -0.85 114.94 124.29 2k78 s ASN 137 Ca -0.03 0.86 -0.22 0.00 -0.94 0.00 0.00 52.86 52.53 2k78 s ASN 137 Cb -0.05 -2.21 0.05 0.00 -2.00 0.00 0.00 41.25 37.04 2k78 s ASN 137 CO -0.04 -0.49 0.52 0.27 -2.94 0.00 0.00 177.10 174.42 2k78 s ILE 138 N -2.60 0.03 -0.22 0.54 -4.36 -1.15 -4.46 121.20 108.98 2k78 s ILE 138 Ca 0.46 -0.24 -0.18 0.00 -0.26 0.00 0.00 60.65 60.43 2k78 s ILE 138 Cb -0.10 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.58 2k78 s ILE 138 CO 0.41 -0.13 0.52 -0.89 0.24 0.00 0.00 174.94 175.09 2k78 s THR 139 N -2.74 5.09 0.31 8.37 2.01 -0.65 -2.92 115.64 125.12 2k78 s THR 139 Ca -0.04 0.94 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 2k78 s THR 139 Cb -0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 2k78 s THR 139 CO -0.04 0.15 0.60 -0.31 -0.69 0.00 0.00 174.62 174.33 2k78 s TYR 140 N 1.82 3.47 -0.32 4.92 1.51 -0.96 -1.38 117.35 126.42 2k78 s TYR 140 Ca 0.23 0.74 -0.02 0.00 -1.01 0.00 0.00 57.07 57.01 2k78 s TYR 140 Cb -0.15 -2.19 0.12 0.00 -0.11 0.00 0.00 41.96 39.63 2k78 s TYR 140 CO 0.09 0.11 0.17 0.15 -1.11 0.00 0.00 175.55 174.96 2k78 s LYS 141 N -3.61 0.36 -0.06 -0.62 -0.14 -0.31 -2.46 119.74 112.90 2k78 s LYS 141 Ca 0.46 -0.89 -0.18 0.00 -1.36 0.00 0.00 55.97 53.99 2k78 s LYS 141 Cb -0.11 -1.21 -0.05 0.00 -1.68 0.00 0.00 37.83 34.79 2k78 s LYS 141 CO 0.30 -1.11 0.51 -0.06 -0.76 0.00 0.00 175.35 174.23 2k78 s PHE 142 N 1.63 3.61 -0.27 3.18 0.08 -0.64 -1.80 117.98 123.77 2k78 s PHE 142 Ca 0.13 1.01 -0.03 0.00 0.12 0.00 0.00 56.93 58.16 2k78 s PHE 142 Cb -0.19 -2.53 0.09 0.00 -0.57 0.00 0.00 43.02 39.82 2k78 s PHE 142 CO -0.19 0.31 0.11 -0.80 -0.10 0.00 0.00 175.22 174.55 2k78 s ASN 143 N 0.05 3.46 0.00 1.36 0.01 0.70 0.54 114.94 121.06 2k78 s ASN 143 Ca 0.27 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 2k78 s ASN 143 Cb -0.16 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.01 2k78 s ASN 143 CO 0.13 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 2k78 n GLY 144 N 5.14 5.05 3.56 0.66 0.00 0.16 -2.36 105.19 117.40 2k78 n GLY 144 Ca -0.05 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 2k78 n GLY 144 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k78 n PRO 145 N 0.00 1.17 -1.30 1.61 -0.04 -1.26 -4.86 135.00 130.31 2k78 n PRO 145 Ca 0.00 0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2k78 n PRO 145 Cb 0.00 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 2k78 n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k78 n THR 146 N 0.01 0.03 0.01 0.52 -2.24 -1.26 -4.63 114.28 106.72 2k78 n THR 146 Ca 0.10 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2k78 n THR 146 Cb 0.33 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2k78 n THR 146 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k78 n ASP 147 N 0.18 0.22 -3.06 3.42 2.03 -1.26 -5.02 116.55 113.06 2k78 n ASP 147 Ca -0.12 0.04 -0.22 0.00 0.52 0.00 0.00 54.79 55.01 2k78 n ASP 147 Cb 0.91 -0.06 0.03 0.00 -0.72 0.00 0.00 41.12 41.28 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2k78 n VAL 148 N -3.07 -1.83 -2.65 5.18 0.31 -1.26 -4.87 118.33 110.14 2k78 n VAL 148 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2k78 n VAL 148 Cb 0.35 -3.20 -0.01 0.00 -0.91 0.00 0.00 33.84 30.07 2k78 n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k78 s ALA 149 N -3.14 3.31 0.00 3.52 0.00 -1.26 -5.31 121.76 118.89 2k78 s ALA 149 Ca 0.31 -2.86 0.00 0.00 0.00 0.00 0.00 51.96 49.41 2k78 s ALA 149 Cb -0.14 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.45 2k78 s ALA 149 CO 0.39 -3.27 0.00 0.41 0.00 0.00 0.00 175.76 173.29