#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 -1.64 -1.64 -1.46 0.00 -1.26 -4.90 121.76 110.85 2k78 s ALA 26 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2k78 s ALA 26 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2k78 s ALA 26 CO 0.00 -0.34 0.00 -1.71 0.00 0.00 0.00 175.76 173.71 2k78 n ASN 27 N 1.79 -5.30 -4.28 0.00 2.85 -1.26 -4.95 115.26 104.11 2k78 n ASN 27 Ca -0.17 0.08 -0.39 0.00 -0.11 0.00 0.00 54.58 53.99 2k78 n ASN 27 Cb 0.56 -4.37 -0.11 0.00 1.24 0.00 0.00 39.78 37.10 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k78 s ALA 28 N -2.87 3.20 0.00 5.20 0.00 -1.26 -4.73 121.76 121.30 2k78 s ALA 28 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2k78 s ALA 28 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2k78 s ALA 28 CO 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 175.76 174.24 2k78 n ALA 29 N 4.88 0.00 -2.56 0.00 0.00 -1.26 -5.02 120.51 116.55 2k78 n ALA 29 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 2k78 n ALA 29 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.90 -5.41 -3.49 0.00 8.00 -1.26 -4.92 116.55 107.57 2k78 n ASP 30 Ca 0.00 -0.03 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 2k78 n ASP 30 Cb 0.00 -4.49 -0.04 0.00 -0.02 0.00 0.00 41.12 36.57 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2k78 s SER 31 N -2.19 -0.58 0.00 -2.24 1.04 -1.26 -1.24 113.70 107.23 2k78 s SER 31 Ca 0.07 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2k78 s SER 31 Cb -0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2k78 s SER 31 CO 0.09 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2k78 n GLY 32 N 0.25 0.80 3.55 7.32 0.00 -0.63 -4.97 105.19 111.52 2k78 n GLY 32 Ca -0.18 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 4.69 0.14 2.61 -4.23 -1.26 0.09 115.64 115.68 2k78 s THR 33 Ca 0.00 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 2k78 s THR 33 Cb 0.00 -4.28 -0.06 0.00 1.34 0.00 0.00 72.50 69.51 2k78 s THR 33 CO 0.00 -0.63 0.41 -0.22 -0.54 0.00 0.00 174.62 173.64 2k78 s LEU 34 N 3.18 4.27 0.19 4.79 0.20 0.10 -4.89 118.68 126.52 2k78 s LEU 34 Ca 0.29 0.69 -0.30 0.00 0.69 0.00 0.00 54.13 55.50 2k78 s LEU 34 Cb -0.13 -3.30 -0.08 0.00 -0.43 0.00 0.00 46.19 42.26 2k78 s LEU 34 CO 0.21 0.06 0.96 0.20 -0.29 0.00 0.00 176.35 177.49 2k78 s ASN 35 N -2.27 7.56 0.07 3.68 0.01 -1.13 -2.54 114.94 120.33 2k78 s ASN 35 Ca 0.40 1.92 -0.27 0.00 -0.71 0.00 0.00 52.86 54.20 2k78 s ASN 35 Cb -0.12 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 39.02 2k78 s ASN 35 CO 0.22 0.05 0.90 -0.72 -1.51 0.00 0.00 177.10 176.05 2k78 s TYR 36 N -0.73 -0.27 0.36 2.20 1.13 -1.26 0.16 117.35 118.95 2k78 s TYR 36 Ca 0.44 0.06 -0.09 0.00 -1.41 0.00 0.00 57.07 56.07 2k78 s TYR 36 Cb -0.25 0.58 0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2k78 s TYR 36 CO 0.32 -0.68 0.64 -1.91 -2.51 0.00 0.00 175.55 171.41 2k78 n GLU 37 N -0.34 0.92 -3.61 -3.49 2.13 -1.05 -4.83 120.64 110.37 2k78 n GLU 37 Ca -0.08 -2.38 -0.25 0.00 0.66 0.00 0.00 57.16 55.11 2k78 n GLU 37 Cb 0.61 2.64 -0.17 0.00 0.27 0.00 0.00 31.44 34.80 2k78 n GLU 37 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2k78 s VAL 38 N -2.42 -0.10 0.56 6.31 1.01 -1.26 -2.43 120.40 122.07 2k78 s VAL 38 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2k78 s VAL 38 Cb -0.03 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2k78 s VAL 38 CO 0.15 -0.22 0.84 -0.31 0.00 0.00 0.00 175.10 175.56 2k78 s TYR 39 N 2.15 3.14 0.04 5.22 2.02 -1.26 -4.45 117.35 124.21 2k78 s TYR 39 Ca 0.03 0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.83 2k78 s TYR 39 Cb -0.16 -2.69 -0.07 0.00 -0.40 0.00 0.00 41.96 38.64 2k78 s TYR 39 CO -0.08 -0.79 1.55 0.21 -1.57 0.00 0.00 175.55 174.87 2k78 s LYS 40 N -4.88 4.23 0.41 -0.62 2.36 -1.18 -2.67 119.74 117.40 2k78 s LYS 40 Ca 0.54 2.18 -0.24 0.00 -2.55 0.00 0.00 55.97 55.90 2k78 s LYS 40 Cb -0.10 -3.58 -0.11 0.00 -1.05 0.00 0.00 37.83 32.98 2k78 s LYS 40 CO 0.42 -0.67 0.91 0.98 1.55 0.00 0.00 175.35 178.54 2k78 n TYR 41 N 5.49 0.81 -0.83 4.03 9.36 -1.26 -0.60 117.16 134.16 2k78 n TYR 41 Ca 0.15 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.95 2k78 n TYR 41 Cb 0.42 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 2k78 n TYR 41 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k78 n ASN 42 N 0.69 -0.57 -0.81 2.98 2.85 -1.26 -4.94 115.26 114.20 2k78 n ASN 42 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2k78 n ASN 42 Cb 0.39 -1.09 0.00 0.00 1.24 0.00 0.00 39.78 40.31 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2k78 n THR 43 N -2.08 0.00 -1.64 -0.44 -2.24 0.23 -5.07 114.28 103.04 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 0.03 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.29 2k78 n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k78 n ASN 44 N -1.72 0.55 -3.82 3.42 2.85 -1.26 -4.67 115.26 110.62 2k78 n ASN 44 Ca 0.00 -2.13 -0.20 0.00 -0.11 0.00 0.00 54.58 52.14 2k78 n ASN 44 Cb 0.00 -0.22 -0.17 0.00 1.24 0.00 0.00 39.78 40.63 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k78 s ASP 45 N -1.30 0.96 0.01 1.20 2.15 -1.26 -4.90 116.67 113.53 2k78 s ASP 45 Ca 0.07 -0.07 -0.35 0.00 0.43 0.00 0.00 52.55 52.63 2k78 s ASP 45 Cb 0.06 -0.35 -0.13 0.00 -0.30 0.00 0.00 42.92 42.19 2k78 s ASP 45 CO 0.01 -0.12 1.70 0.35 -0.17 0.00 0.00 175.17 176.93 2k78 n THR 46 N 4.46 0.27 0.00 1.71 -2.24 -1.26 -3.09 114.28 114.14 2k78 n THR 46 Ca -0.19 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2k78 n THR 46 Cb 0.50 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 2k78 n THR 46 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k78 n SER 47 N 4.87 2.34 0.00 3.42 7.64 -1.26 -4.86 113.62 125.76 2k78 n SER 47 Ca 0.20 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2k78 n SER 47 Cb 0.27 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 2k78 n SER 47 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k78 n ILE 48 N -0.77 0.00 -0.10 0.44 5.41 -1.26 -4.86 119.36 118.22 2k78 n ILE 48 Ca 0.00 0.00 0.26 0.00 1.00 0.00 0.00 62.75 64.01 2k78 n ILE 48 Cb 0.00 -0.04 0.60 0.00 -0.71 0.00 0.00 39.64 39.49 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 2.63 0.00 -1.39 0.00 -1.96 0.16 119.26 118.71 2k78 h ALA 49 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k78 h ALA 49 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k78 h ALA 49 CO 0.00 -1.29 0.16 -2.95 0.00 0.00 0.00 179.25 175.17 2k78 h ASN 50 N 0.00 0.00 -0.60 0.00 7.08 -1.89 0.82 115.58 120.99 2k78 h ASN 50 Ca 0.38 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.60 2k78 h ASN 50 Cb 2.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.37 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 -2.68 4.67 -0.04 6.14 8.00 0.57 -4.33 116.55 128.88 2k78 n ASP 51 Ca -0.02 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.98 2k78 n ASP 51 Cb 0.21 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.93 0.00 -4.06 1.24 4.01 0.26 -5.05 117.16 114.50 2k78 n TYR 52 Ca 0.25 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.66 2k78 n TYR 52 Cb 0.89 0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.78 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2k78 s PHE 53 N 0.00 3.02 0.57 -0.72 0.40 -1.08 -2.90 117.98 117.26 2k78 s PHE 53 Ca 0.00 -1.85 -0.18 0.00 -0.60 0.00 0.00 56.93 54.31 2k78 s PHE 53 Cb 0.00 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 2k78 s PHE 53 CO 0.00 -0.81 1.08 1.21 0.70 0.00 0.00 175.22 177.40 2k78 s ASN 54 N 1.24 5.77 0.07 1.36 3.84 -1.15 -5.00 114.94 121.07 2k78 s ASN 54 Ca -0.01 1.98 -0.09 0.00 0.21 0.00 0.00 52.86 54.94 2k78 s ASN 54 Cb -0.16 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 2k78 s ASN 54 CO -0.08 -1.18 0.20 -1.59 -2.79 0.00 0.00 177.10 171.66 2k78 s LYS 55 N -3.66 0.80 0.57 0.43 -2.85 -1.26 -4.58 119.74 109.19 2k78 s LYS 55 Ca 0.68 -0.84 -0.10 0.00 -1.00 0.00 0.00 55.97 54.71 2k78 s LYS 55 Cb -0.19 0.33 0.13 0.00 -2.06 0.00 0.00 37.83 36.04 2k78 s LYS 55 CO 0.31 -0.25 0.76 -0.35 0.10 0.00 0.00 175.35 175.92 2k78 n PRO 56 N 0.18 -0.81 -3.70 1.78 -0.04 -1.26 -5.15 135.00 126.00 2k78 n PRO 56 Ca -0.16 -1.18 -0.20 0.00 -0.04 0.00 0.00 63.50 61.92 2k78 n PRO 56 Cb 0.61 -0.80 -0.02 0.00 -0.04 0.00 0.00 33.50 33.26 2k78 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k78 s ALA 57 N -3.94 4.02 -0.29 0.55 0.00 -1.05 -4.93 121.76 116.12 2k78 s ALA 57 Ca 0.43 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 2k78 s ALA 57 Cb -0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2k78 s ALA 57 CO 0.31 0.04 0.16 0.15 0.00 0.00 0.00 175.76 176.42 2k78 s LYS 58 N -4.06 3.65 0.37 0.00 1.02 -1.14 0.01 119.74 119.59 2k78 s LYS 58 Ca 0.41 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.93 2k78 s LYS 58 Cb -0.08 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2k78 s LYS 58 CO 0.29 -0.29 0.54 1.52 -0.92 0.00 0.00 175.35 176.49 2k78 s TYR 59 N 1.68 3.19 -0.26 3.18 -0.85 0.11 -0.46 117.35 123.94 2k78 s TYR 59 Ca 0.06 -0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 56.52 2k78 s TYR 59 Cb -0.16 -2.09 0.13 0.00 0.38 0.00 0.00 41.96 40.22 2k78 s TYR 59 CO 0.08 -0.11 0.53 -1.50 -1.52 0.00 0.00 175.55 173.03 2k78 s ILE 60 N -2.31 -0.83 -0.12 -3.49 2.07 -0.74 -1.60 121.20 114.18 2k78 s ILE 60 Ca 0.45 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 2k78 s ILE 60 Cb -0.10 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.65 2k78 s ILE 60 CO 0.34 0.01 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.72 2k78 s LYS 61 N 2.75 1.85 -1.01 3.50 3.01 -0.37 0.14 119.74 129.62 2k78 s LYS 61 Ca 0.02 -0.40 -0.01 0.00 -1.01 0.00 0.00 55.97 54.57 2k78 s LYS 61 Cb -0.13 -1.74 0.32 0.00 -1.01 0.00 0.00 37.83 35.27 2k78 s LYS 61 CO -0.17 -0.19 1.70 1.63 0.51 0.00 0.00 175.35 178.83 2k78 n LYS 62 N 4.64 5.11 -2.85 1.68 4.76 -0.99 -4.36 118.16 126.15 2k78 n LYS 62 Ca -0.16 -4.66 -0.02 0.00 -2.87 0.00 0.00 58.31 50.60 2k78 n LYS 62 Cb 0.50 -2.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.21 2k78 n LYS 62 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2k78 n ASN 63 N 0.19 -4.70 0.00 4.39 2.85 -1.26 -4.20 115.26 112.52 2k78 n ASN 63 Ca 0.42 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 56.02 2k78 n ASN 63 Cb 0.28 -3.01 0.00 0.00 1.24 0.00 0.00 39.78 38.29 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k78 n GLY 64 N 2.21 1.93 3.33 8.20 0.00 -1.26 -5.04 105.19 114.57 2k78 n GLY 64 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.94 1.29 -0.24 1.61 0.00 -1.26 -5.13 119.74 115.07 2k78 s LYS 65 Ca 0.00 -1.47 -0.27 0.00 0.00 0.00 0.00 55.97 54.23 2k78 s LYS 65 Cb 0.00 0.34 0.13 0.00 0.00 0.00 0.00 37.83 38.30 2k78 s LYS 65 CO 0.00 -0.46 1.06 -0.48 0.00 0.00 0.00 175.35 175.47 2k78 s LEU 66 N -3.09 -0.37 0.00 2.77 2.34 -1.26 -2.34 118.68 116.72 2k78 s LEU 66 Ca 0.31 0.59 0.00 0.00 0.06 0.00 0.00 54.13 55.10 2k78 s LEU 66 Cb 0.04 1.78 0.00 0.00 -0.56 0.00 0.00 46.19 47.45 2k78 s LEU 66 CO 0.10 -0.21 0.00 -1.22 -1.06 0.00 0.00 176.35 173.96 2k78 n TYR 67 N 1.52 0.00 -3.64 3.48 4.02 0.12 -3.63 117.16 119.03 2k78 n TYR 67 Ca -0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.73 2k78 n TYR 67 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.82 2k78 n TYR 67 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2k78 s VAL 68 N -1.77 0.00 -0.18 -0.72 1.01 -0.24 -1.78 120.40 116.72 2k78 s VAL 68 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2k78 s VAL 68 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2k78 s VAL 68 CO 0.00 0.00 0.21 0.00 0.00 0.00 0.00 175.10 175.31 2k78 s GLN 69 N 1.31 4.21 -0.10 2.72 1.03 0.39 -0.44 119.66 128.78 2k78 s GLN 69 Ca -0.08 -0.06 -0.00 0.00 0.04 0.00 0.00 55.36 55.26 2k78 s GLN 69 Cb -0.04 -3.42 -0.02 0.00 0.03 0.00 0.00 33.01 29.55 2k78 s GLN 69 CO -0.15 0.28 -0.09 -1.50 -2.54 0.00 0.00 175.29 171.29 2k78 s ILE 70 N 0.39 3.48 -0.17 3.63 1.10 -0.18 -2.89 121.20 126.57 2k78 s ILE 70 Ca 0.12 -0.53 -0.20 0.00 -0.51 0.00 0.00 60.65 59.53 2k78 s ILE 70 Cb -0.12 -2.45 -0.03 0.00 0.15 0.00 0.00 42.46 40.01 2k78 s ILE 70 CO 0.01 0.55 0.60 -0.89 -2.11 0.00 0.00 174.94 173.10 2k78 s THR 71 N -0.22 5.07 -0.04 4.00 2.01 -1.26 -1.89 115.64 123.30 2k78 s THR 71 Ca 0.02 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 2k78 s THR 71 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2k78 s THR 71 CO 0.03 0.18 0.09 0.68 -0.69 0.00 0.00 174.62 174.90 2k78 s VAL 72 N 1.50 4.87 -0.21 3.82 -7.23 0.21 -2.93 120.40 120.44 2k78 s VAL 72 Ca 0.29 -0.23 -0.10 0.00 -1.81 0.00 0.00 61.98 60.12 2k78 s VAL 72 Cb -0.16 -3.18 -0.05 0.00 0.56 0.00 0.00 36.38 33.56 2k78 s VAL 72 CO 0.11 0.45 0.13 0.20 -0.31 0.00 0.00 175.10 175.68 2k78 s ASN 73 N -1.46 6.09 0.12 4.85 0.01 -1.14 -2.64 114.94 120.78 2k78 s ASN 73 Ca 0.20 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 2k78 s ASN 73 Cb -0.12 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.47 2k78 s ASN 73 CO 0.10 0.15 0.00 1.57 -1.51 0.00 0.00 177.10 177.41 2k78 n HIS 74 N 3.75 -4.77 -0.01 2.20 -0.00 -0.65 -4.55 115.22 111.19 2k78 n HIS 74 Ca -0.16 2.86 -0.17 0.00 0.46 0.00 0.00 57.72 60.71 2k78 n HIS 74 Cb 0.52 -3.72 -0.09 0.00 -0.12 0.00 0.00 29.99 26.58 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 4.16 0.65 -1.00 0.26 0.02 -1.82 -3.18 113.55 112.64 2k78 h SER 75 Ca 0.00 -0.69 0.20 0.00 -0.84 0.00 0.00 61.79 60.46 2k78 h SER 75 Cb 0.00 -0.20 -0.11 0.00 0.14 0.00 0.00 62.40 62.24 2k78 h SER 75 CO 0.00 1.25 0.61 0.45 -1.14 0.00 0.00 176.83 178.00 2k78 h HIS 76 N 0.11 1.00 0.00 3.45 3.86 -1.90 -3.00 115.15 118.68 2k78 h HIS 76 Ca -0.06 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k78 h HIS 76 Cb 1.29 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2k78 h HIS 76 CO 0.12 0.20 0.00 0.91 0.86 0.00 0.00 177.93 180.02 2k78 n TRP 77 N -4.75 0.00 -3.08 2.45 7.02 -1.21 -3.71 117.44 114.15 2k78 n TRP 77 Ca 0.24 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.31 2k78 n TRP 77 Cb 0.62 -0.33 -0.06 0.00 -2.42 0.00 0.00 31.31 29.12 2k78 n TRP 77 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 2k78 s ILE 78 N -1.92 4.95 -0.25 -0.99 -4.36 -1.13 -3.09 121.20 114.42 2k78 s ILE 78 Ca 0.00 1.09 0.21 0.00 -0.26 0.00 0.00 60.65 61.69 2k78 s ILE 78 Cb 0.00 -3.98 0.05 0.00 1.25 0.00 0.00 42.46 39.78 2k78 s ILE 78 CO 0.00 -0.04 1.16 0.00 0.24 0.00 0.00 174.94 176.30 2k78 h THR 79 N 5.46 0.19 -1.78 8.37 1.03 -1.16 -3.42 112.91 121.59 2k78 h THR 79 Ca -0.26 -1.32 0.27 0.00 -0.01 0.00 0.00 66.41 65.09 2k78 h THR 79 Cb 1.12 1.81 -0.11 0.00 -1.07 0.00 0.00 68.15 69.90 2k78 h THR 79 CO 0.79 0.11 0.70 -0.83 -0.01 0.00 0.00 175.52 176.28 2k78 s GLY 80 N -4.43 -0.35 -0.26 2.99 0.00 -1.16 -4.92 107.32 99.20 2k78 s GLY 80 Ca 0.01 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.20 2k78 s GLY 80 CO 0.76 0.08 0.40 1.06 0.00 0.00 0.00 173.10 175.40 2k78 s MET 81 N -2.75 0.38 0.47 2.90 -1.94 -1.26 -2.33 119.30 114.77 2k78 s MET 81 Ca 0.13 0.39 -0.07 0.00 -1.71 0.00 0.00 55.69 54.43 2k78 s MET 81 Cb 0.02 -0.38 -0.04 0.00 2.01 0.00 0.00 34.83 36.44 2k78 s MET 81 CO -0.02 -0.79 0.79 -1.54 -0.01 0.00 0.00 175.02 173.45 2k78 s SER 82 N 2.55 6.33 -0.22 3.03 1.04 0.51 -2.97 113.70 123.97 2k78 s SER 82 Ca 0.12 1.01 -0.17 0.00 0.48 0.00 0.00 55.95 57.39 2k78 s SER 82 Cb -0.14 -2.28 0.06 0.00 0.10 0.00 0.00 66.02 63.76 2k78 s SER 82 CO -0.22 -0.54 0.58 -0.63 0.98 0.00 0.00 173.24 173.41 2k78 s ILE 83 N -2.66 -0.00 0.00 -1.02 1.01 0.20 -0.41 121.20 118.32 2k78 s ILE 83 Ca 0.49 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2k78 s ILE 83 Cb -0.10 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2k78 s ILE 83 CO 0.42 0.01 0.00 -0.62 0.00 0.00 0.00 174.94 174.74 2k78 n GLU 84 N 3.43 -0.91 0.00 2.79 -0.58 -1.08 -2.30 120.64 121.99 2k78 n GLU 84 Ca -0.17 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2k78 n GLU 84 Cb 0.57 -4.28 0.00 0.00 -0.57 0.00 0.00 31.44 27.15 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k78 n GLY 85 N -0.79 0.89 3.23 0.62 0.00 -1.26 -5.11 105.19 102.77 2k78 n GLY 85 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.22 0.00 1.61 -3.43 -0.97 -5.14 115.29 106.58 2k78 s HIS 86 Ca 0.00 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 53.55 2k78 s HIS 86 Cb 0.00 -0.64 0.00 0.00 -1.43 0.00 0.00 32.58 30.51 2k78 s HIS 86 CO 0.00 0.07 0.00 1.63 -2.00 0.00 0.00 174.74 174.44 2k78 n LYS 87 N 0.10 0.17 -3.80 -0.38 5.02 -1.26 0.59 118.16 118.61 2k78 n LYS 87 Ca -0.12 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.96 2k78 n LYS 87 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 2k78 n LYS 87 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k78 s GLU 88 N -1.27 2.87 -0.09 1.97 1.03 -1.16 -4.39 118.70 117.66 2k78 s GLU 88 Ca 0.00 -1.18 0.02 0.00 0.03 0.00 0.00 54.97 53.85 2k78 s GLU 88 Cb 0.00 -2.58 -0.02 0.00 -0.80 0.00 0.00 34.13 30.73 2k78 s GLU 88 CO 0.00 0.15 -0.16 1.21 -1.33 0.00 0.00 175.26 175.13 2k78 s ASN 89 N -4.01 3.81 -0.55 0.83 3.84 -1.25 -4.97 114.94 112.65 2k78 s ASN 89 Ca 0.40 -0.33 -0.27 0.00 0.21 0.00 0.00 52.86 52.88 2k78 s ASN 89 Cb -0.07 -1.24 -0.03 0.00 -0.55 0.00 0.00 41.25 39.36 2k78 s ASN 89 CO 0.27 0.23 1.93 0.27 -2.79 0.00 0.00 177.10 177.02 2k78 s ILE 90 N -0.07 3.32 -0.13 -5.21 -5.25 -1.26 -3.21 121.20 109.39 2k78 s ILE 90 Ca -0.03 0.22 0.17 0.00 -0.99 0.00 0.00 60.65 60.02 2k78 s ILE 90 Cb -0.14 -3.75 -0.23 0.00 2.95 0.00 0.00 42.46 41.28 2k78 s ILE 90 CO 0.04 -0.69 0.40 0.00 -1.79 0.00 0.00 174.94 172.90 2k78 n ILE 91 N 7.36 1.27 -3.15 8.37 3.06 -1.06 -4.90 119.36 130.31 2k78 n ILE 91 Ca 0.23 -0.78 0.05 0.00 -2.50 0.00 0.00 62.75 59.75 2k78 n ILE 91 Cb 0.52 -0.61 -0.00 0.00 0.54 0.00 0.00 39.64 40.08 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 -5.59 -1.01 0.11 9.51 1.04 -1.25 -5.00 113.70 111.51 2k78 s SER 92 Ca -0.07 0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 2k78 s SER 92 Cb 0.08 1.70 -0.06 0.00 0.10 0.00 0.00 66.02 67.84 2k78 s SER 92 CO 0.83 -0.19 0.38 -0.75 0.98 0.00 0.00 173.24 174.50 2k78 s LYS 93 N 2.90 3.67 -0.41 4.02 2.20 -1.26 -2.47 119.74 128.39 2k78 s LYS 93 Ca 0.15 0.02 0.07 0.00 -0.36 0.00 0.00 55.97 55.86 2k78 s LYS 93 Cb -0.08 -2.92 0.24 0.00 -1.51 0.00 0.00 37.83 33.55 2k78 s LYS 93 CO -0.22 0.52 0.56 -1.71 -0.36 0.00 0.00 175.35 174.14 2k78 n ASN 94 N 0.51 -0.43 -0.08 1.43 4.05 -1.05 -4.96 115.26 114.73 2k78 n ASN 94 Ca -0.05 -2.75 0.16 0.00 0.45 0.00 0.00 54.58 52.39 2k78 n ASN 94 Cb 0.52 -0.22 0.56 0.00 1.23 0.00 0.00 39.78 41.87 2k78 n ASN 94 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2k78 h THR 95 N 2.52 0.81 -0.61 -0.44 2.02 -1.96 0.55 112.91 115.79 2k78 h THR 95 Ca 0.06 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2k78 h THR 95 Cb 0.91 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2k78 h THR 95 CO 0.42 0.05 0.28 0.00 0.37 0.00 0.00 175.52 176.65 2k78 h ALA 96 N 1.69 0.79 -0.59 6.16 0.00 -1.94 -2.44 119.26 122.93 2k78 h ALA 96 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k78 h ALA 96 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k78 h ALA 96 CO -0.07 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.18 2k78 n LYS 97 N -4.50 2.45 -3.70 0.00 5.02 -0.40 -4.95 118.16 112.08 2k78 n LYS 97 Ca 0.04 -2.16 -0.28 0.00 -2.02 0.00 0.00 58.31 53.89 2k78 n LYS 97 Cb 0.13 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k78 n ASP 98 N 1.22 -3.99 -3.14 4.39 8.00 0.05 -4.87 116.55 118.21 2k78 n ASP 98 Ca 0.20 -0.96 -0.16 0.00 0.71 0.00 0.00 54.79 54.58 2k78 n ASP 98 Cb 0.52 -3.56 -0.04 0.00 -0.02 0.00 0.00 41.12 38.02 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2k78 s GLU 99 N -5.96 1.97 -0.15 -1.24 2.02 -0.97 -1.64 118.70 112.74 2k78 s GLU 99 Ca 0.33 -1.83 -0.34 0.00 0.02 0.00 0.00 54.97 53.15 2k78 s GLU 99 Cb -0.11 0.44 0.13 0.00 0.10 0.00 0.00 34.13 34.70 2k78 s GLU 99 CO 0.85 -0.82 1.21 0.50 0.02 0.00 0.00 175.26 177.02 2k78 s ARG 100 N -2.94 0.36 0.04 1.61 3.52 -1.08 -2.53 118.95 117.92 2k78 s ARG 100 Ca 0.31 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.75 2k78 s ARG 100 Cb -0.01 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 2k78 s ARG 100 CO 0.22 -0.16 -0.01 0.99 -0.81 0.00 0.00 175.30 175.53 2k78 s THR 101 N -2.46 0.17 -0.04 4.11 2.01 -1.03 0.64 115.64 119.04 2k78 s THR 101 Ca 0.10 -1.41 -0.04 0.00 0.31 0.00 0.00 61.69 60.65 2k78 s THR 101 Cb 0.00 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2k78 s THR 101 CO -0.05 -0.78 0.12 -0.94 -0.69 0.00 0.00 174.62 172.28 2k78 s SER 102 N -2.33 -0.12 -0.04 3.53 1.04 -0.79 -2.57 113.70 112.41 2k78 s SER 102 Ca -0.02 0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.49 2k78 s SER 102 Cb 0.01 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2k78 s SER 102 CO -0.06 -0.04 0.40 -0.70 0.98 0.00 0.00 173.24 173.81 2k78 s GLU 103 N 0.06 4.00 -0.00 4.02 2.12 -1.20 -1.01 118.70 126.69 2k78 s GLU 103 Ca -0.00 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.75 2k78 s GLU 103 Cb -0.01 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2k78 s GLU 103 CO 0.00 0.57 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.09 2k78 s PHE 104 N -0.68 1.34 -0.18 5.30 0.08 0.42 -3.92 117.98 120.34 2k78 s PHE 104 Ca 0.23 -0.27 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 2k78 s PHE 104 Cb -0.16 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 2k78 s PHE 104 CO 0.12 -0.01 0.08 -2.00 -0.10 0.00 0.00 175.22 173.31 2k78 s GLU 105 N -0.49 3.93 -0.04 0.44 2.12 -1.26 -1.08 118.70 122.32 2k78 s GLU 105 Ca 0.05 -0.29 -0.14 0.00 0.36 0.00 0.00 54.97 54.96 2k78 s GLU 105 Cb -0.06 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.11 2k78 s GLU 105 CO -0.00 0.36 0.30 0.14 -0.54 0.00 0.00 175.26 175.52 2k78 s VAL 106 N 0.15 0.05 -0.30 3.70 -7.23 -1.24 -4.84 120.40 110.69 2k78 s VAL 106 Ca 0.06 -0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.58 2k78 s VAL 106 Cb -0.12 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2k78 s VAL 106 CO -0.00 -0.21 2.13 -0.55 -0.31 0.00 0.00 175.10 176.16 2k78 s SER 107 N -0.98 5.41 0.28 4.85 0.15 -1.26 -4.67 113.70 117.48 2k78 s SER 107 Ca -0.10 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.11 2k78 s SER 107 Cb -0.05 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2k78 s SER 107 CO 0.03 -2.04 0.00 0.29 1.20 0.00 0.00 173.24 172.72 2k78 n LYS 108 N 8.73 -2.19 -3.02 5.44 4.76 -1.26 -4.80 118.16 125.83 2k78 n LYS 108 Ca 0.29 1.50 -0.17 0.00 -2.87 0.00 0.00 58.31 57.06 2k78 n LYS 108 Cb 0.47 -2.69 -0.02 0.00 -1.84 0.00 0.00 35.03 30.95 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 -3.38 -1.33 -2.74 -0.35 -0.00 -1.26 -4.96 117.00 102.98 2k78 n LEU 109 Ca -0.00 -4.00 -0.04 0.00 -0.00 0.00 0.00 56.01 51.96 2k78 n LEU 109 Cb 0.63 0.71 0.06 0.00 -0.00 0.00 0.00 43.42 44.82 2k78 n LEU 109 CO 0.01 2.01 0.12 -3.20 -0.00 0.00 0.00 177.39 176.33 2k78 n ASN 110 N 1.80 0.62 -3.68 1.45 2.85 -1.15 -0.91 115.26 116.24 2k78 n ASN 110 Ca 0.18 -2.33 0.01 0.00 -0.11 0.00 0.00 54.58 52.32 2k78 n ASN 110 Cb 0.56 -0.13 0.01 0.00 1.24 0.00 0.00 39.78 41.46 2k78 n ASN 110 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2k78 s GLY 111 N -2.84 -0.13 0.34 8.20 0.00 -0.53 -4.90 107.32 107.46 2k78 s GLY 111 Ca 0.24 0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.80 2k78 s GLY 111 CO -0.03 3.67 0.93 1.25 0.00 0.00 0.00 173.10 178.91 2k78 s LYS 112 N -2.17 4.46 0.05 2.90 2.20 -1.26 -2.25 119.74 123.67 2k78 s LYS 112 Ca 0.24 1.23 0.02 0.00 -0.36 0.00 0.00 55.97 57.10 2k78 s LYS 112 Cb 0.00 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 2k78 s LYS 112 CO 0.00 0.21 -0.07 0.42 -0.36 0.00 0.00 175.35 175.54 2k78 s ILE 113 N -1.76 0.53 0.09 5.43 1.01 0.37 -4.90 121.20 121.96 2k78 s ILE 113 Ca 0.53 -1.14 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2k78 s ILE 113 Cb -0.16 -0.67 -0.06 0.00 0.01 0.00 0.00 42.46 41.58 2k78 s ILE 113 CO 0.21 -0.42 1.10 -1.81 0.00 0.00 0.00 174.94 174.01 2k78 s ASP 114 N -1.68 7.24 0.27 3.58 1.11 -1.26 -1.93 116.67 124.00 2k78 s ASP 114 Ca -0.09 1.94 0.02 0.00 0.18 0.00 0.00 52.55 54.60 2k78 s ASP 114 Cb -0.09 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.26 2k78 s ASP 114 CO -0.00 -0.31 0.08 -0.83 1.18 0.00 0.00 175.17 175.30 2k78 s GLY 115 N 0.58 1.80 0.10 0.21 0.00 -1.08 -2.64 107.32 106.31 2k78 s GLY 115 Ca 0.53 -1.91 -0.05 0.00 0.00 0.00 0.00 44.72 43.29 2k78 s GLY 115 CO 0.31 -1.65 0.13 0.54 0.00 0.00 0.00 173.10 172.43 2k78 s LYS 116 N -4.00 0.87 0.02 2.90 1.02 0.45 -2.92 119.74 118.09 2k78 s LYS 116 Ca 0.37 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 2k78 s LYS 116 Cb 0.08 0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.75 2k78 s LYS 116 CO 0.14 -0.26 0.63 -1.50 -0.92 0.00 0.00 175.35 173.44 2k78 s ILE 117 N -3.94 0.01 0.18 2.17 2.07 0.14 0.19 121.20 122.02 2k78 s ILE 117 Ca 0.12 -0.04 0.09 0.00 -1.41 0.00 0.00 60.65 59.41 2k78 s ILE 117 Cb 0.06 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2k78 s ILE 117 CO -0.06 -0.02 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.02 2k78 s ASP 118 N -1.74 4.12 0.02 4.50 1.01 -0.98 -1.26 116.67 122.34 2k78 s ASP 118 Ca -0.07 -0.62 0.05 0.00 0.71 0.00 0.00 52.55 52.62 2k78 s ASP 118 Cb -0.00 -0.64 -0.02 0.00 1.01 0.00 0.00 42.92 43.26 2k78 s ASP 118 CO 0.02 0.11 -0.14 -0.69 0.21 0.00 0.00 175.17 174.67 2k78 s VAL 119 N -1.68 1.14 -0.29 -1.27 1.01 -1.15 -0.95 120.40 117.20 2k78 s VAL 119 Ca 0.24 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2k78 s VAL 119 Cb -0.09 -1.00 0.16 0.00 0.00 0.00 0.00 36.38 35.45 2k78 s VAL 119 CO 0.14 0.12 0.40 -0.47 0.00 0.00 0.00 175.10 175.29 2k78 s TYR 120 N -0.67 -0.98 0.15 5.22 6.14 -1.18 -2.84 117.35 123.18 2k78 s TYR 120 Ca 0.03 0.29 0.09 0.00 0.64 0.00 0.00 57.07 58.13 2k78 s TYR 120 Cb -0.07 -0.17 -0.04 0.00 0.42 0.00 0.00 41.96 42.10 2k78 s TYR 120 CO 0.01 -0.98 -0.22 0.42 0.64 0.00 0.00 175.55 175.42 2k78 s ILE 121 N 2.53 1.96 -0.33 3.14 1.01 0.95 -4.48 121.20 125.98 2k78 s ILE 121 Ca 0.10 -1.80 0.06 0.00 0.00 0.00 0.00 60.65 59.00 2k78 s ILE 121 Cb -0.12 -1.83 0.19 0.00 0.01 0.00 0.00 42.46 40.70 2k78 s ILE 121 CO -0.30 -0.13 0.63 1.51 0.00 0.00 0.00 174.94 176.64 2k78 s ASP 122 N -2.33 -1.53 0.00 3.58 1.47 -1.26 -1.19 116.67 115.41 2k78 s ASP 122 Ca 0.14 -0.14 -0.02 0.00 1.18 0.00 0.00 52.55 53.71 2k78 s ASP 122 Cb -0.08 1.96 0.01 0.00 -0.34 0.00 0.00 42.92 44.46 2k78 s ASP 122 CO 0.06 -0.24 0.08 -1.84 0.68 0.00 0.00 175.17 173.91 2k78 n GLU 123 N 5.05 0.02 -3.16 2.11 0.28 -1.15 -5.02 120.64 118.77 2k78 n GLU 123 Ca 0.07 -0.07 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 2k78 n GLU 123 Cb 0.55 0.11 -0.06 0.00 1.43 0.00 0.00 31.44 33.47 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 -2.00 3.08 -0.63 3.44 1.02 -1.26 -0.66 119.74 122.73 2k78 s LYS 124 Ca 0.02 -1.09 -0.27 0.00 0.02 0.00 0.00 55.97 54.64 2k78 s LYS 124 Cb -0.00 -4.16 0.02 0.00 -0.52 0.00 0.00 37.83 33.16 2k78 s LYS 124 CO 0.00 -1.32 1.42 0.08 -0.92 0.00 0.00 175.35 174.61 2k78 s VAL 125 N 2.55 3.72 -1.46 3.17 1.01 0.57 -3.79 120.40 126.17 2k78 s VAL 125 Ca 0.13 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 2k78 s VAL 125 Cb -0.22 -4.55 0.06 0.00 0.00 0.00 0.00 36.38 31.67 2k78 s VAL 125 CO 0.09 -1.37 0.91 0.59 0.00 0.00 0.00 175.10 175.32 2k78 n ASN 126 N 9.89 -3.78 -0.33 3.32 5.03 -1.26 -1.43 115.26 126.70 2k78 n ASN 126 Ca 0.10 -0.78 -0.02 0.00 0.87 0.00 0.00 54.58 54.75 2k78 n ASN 126 Cb 0.50 -4.00 0.00 0.00 -1.02 0.00 0.00 39.78 35.25 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k78 n GLY 127 N -1.68 0.41 2.72 7.41 0.00 -1.25 -5.03 105.19 107.78 2k78 n GLY 127 Ca -0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 2k78 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 128 N -4.32 0.27 -0.29 1.61 1.02 -0.51 -5.10 119.74 112.42 2k78 s LYS 128 Ca 0.01 -0.13 -0.41 0.00 0.02 0.00 0.00 55.97 55.46 2k78 s LYS 128 Cb -0.01 -0.86 -0.16 0.00 -0.52 0.00 0.00 37.83 36.28 2k78 s LYS 128 CO 0.01 -0.94 1.69 -2.30 -0.92 0.00 0.00 175.35 172.90 2k78 n PRO 129 N 5.30 0.96 -4.39 -1.68 -0.02 -1.26 -0.31 135.00 133.60 2k78 n PRO 129 Ca -0.04 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 61.55 2k78 n PRO 129 Cb 0.46 -2.00 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k78 s PHE 130 N 3.27 1.80 -0.23 6.00 5.36 0.17 -4.83 117.98 129.50 2k78 s PHE 130 Ca 0.99 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 56.53 2k78 s PHE 130 Cb -1.13 -1.01 0.07 0.00 -0.34 0.00 0.00 43.02 40.61 2k78 s PHE 130 CO 0.67 0.17 0.06 0.21 -1.46 0.00 0.00 175.22 174.88 2k78 s LYS 131 N -1.69 0.60 -0.14 10.12 2.20 -1.26 -2.93 119.74 126.64 2k78 s LYS 131 Ca 0.07 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2k78 s LYS 131 Cb -0.10 -1.96 -0.02 0.00 -1.51 0.00 0.00 37.83 34.24 2k78 s LYS 131 CO 0.04 -0.77 -0.07 -0.47 -0.36 0.00 0.00 175.35 173.71 2k78 s TYR 132 N 1.83 2.95 -0.36 4.03 5.04 -0.33 -4.94 117.35 125.57 2k78 s TYR 132 Ca 0.03 -0.34 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 2k78 s TYR 132 Cb -0.17 -1.89 0.19 0.00 0.35 0.00 0.00 41.96 40.44 2k78 s TYR 132 CO -0.16 -0.03 0.92 0.16 -1.34 0.00 0.00 175.55 175.10 2k78 s ASP 133 N 0.18 -0.74 0.00 4.32 1.47 -1.25 -0.03 116.67 120.61 2k78 s ASP 133 Ca -0.04 -0.47 0.00 0.00 1.18 0.00 0.00 52.55 53.22 2k78 s ASP 133 Cb -0.14 0.95 0.00 0.00 -0.34 0.00 0.00 42.92 43.39 2k78 s ASP 133 CO 0.03 -0.07 0.00 1.41 0.68 0.00 0.00 175.17 177.22 2k78 n HIS 134 N 3.70 -0.56 -5.01 2.11 8.25 -1.13 -5.03 115.22 117.56 2k78 n HIS 134 Ca 0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 2k78 n HIS 134 Cb 0.61 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.58 2k78 n HIS 134 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k78 s HIS 135 N -5.95 2.47 0.36 4.41 3.76 -1.26 -2.96 115.29 116.13 2k78 s HIS 135 Ca 0.00 -0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 54.50 2k78 s HIS 135 Cb 0.00 -1.51 0.04 0.00 1.11 0.00 0.00 32.58 32.22 2k78 s HIS 135 CO 0.00 0.10 0.63 0.66 -0.85 0.00 0.00 174.74 175.29 2k78 n TYR 136 N 2.13 -1.94 -4.01 1.40 4.01 -0.39 -5.00 117.16 113.35 2k78 n TYR 136 Ca -0.16 -1.95 -0.12 0.00 -0.16 0.00 0.00 57.90 55.50 2k78 n TYR 136 Cb 0.52 0.74 -0.03 0.00 -0.31 0.00 0.00 39.34 40.25 2k78 n TYR 136 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k78 s ASN 137 N -3.00 0.49 0.38 7.72 4.22 -1.26 0.26 114.94 123.75 2k78 s ASN 137 Ca 0.20 -1.28 -0.10 0.00 -2.14 0.00 0.00 52.86 49.53 2k78 s ASN 137 Cb -0.03 0.68 0.04 0.00 1.28 0.00 0.00 41.25 43.22 2k78 s ASN 137 CO 0.15 -1.33 0.69 0.27 -2.04 0.00 0.00 177.10 174.83 2k78 s ILE 138 N -3.16 0.00 0.44 0.54 -4.36 -1.15 -4.65 121.20 108.86 2k78 s ILE 138 Ca 0.26 -1.22 -0.02 0.00 -0.26 0.00 0.00 60.65 59.41 2k78 s ILE 138 Cb -0.01 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 2k78 s ILE 138 CO 0.16 0.00 0.69 -0.89 0.24 0.00 0.00 174.94 175.13 2k78 s THR 139 N -2.44 4.64 -0.30 8.37 2.01 -1.09 -2.62 115.64 124.22 2k78 s THR 139 Ca 0.21 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2k78 s THR 139 Cb -0.03 -3.73 0.14 0.00 0.01 0.00 0.00 72.50 68.88 2k78 s THR 139 CO 0.15 -0.59 0.32 -0.31 -0.69 0.00 0.00 174.62 173.50 2k78 s TYR 140 N -2.57 -0.50 -0.28 4.92 2.02 -0.81 -4.42 117.35 115.70 2k78 s TYR 140 Ca 0.46 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 2k78 s TYR 140 Cb -0.10 -0.42 0.05 0.00 -0.40 0.00 0.00 41.96 41.09 2k78 s TYR 140 CO 0.40 -0.94 -0.05 0.21 -1.57 0.00 0.00 175.55 173.61 2k78 s LYS 141 N 2.27 2.37 0.25 -0.62 2.20 -1.02 0.14 119.74 125.32 2k78 s LYS 141 Ca 0.10 -1.29 -0.06 0.00 -0.36 0.00 0.00 55.97 54.37 2k78 s LYS 141 Cb -0.14 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 2k78 s LYS 141 CO -0.29 -0.59 0.52 -0.06 -0.36 0.00 0.00 175.35 174.57 2k78 s PHE 142 N 1.19 3.46 -0.27 4.03 0.08 -0.95 -2.53 117.98 122.99 2k78 s PHE 142 Ca -0.07 0.68 -0.00 0.00 0.12 0.00 0.00 56.93 57.66 2k78 s PHE 142 Cb -0.20 -2.12 0.08 0.00 -0.57 0.00 0.00 43.02 40.21 2k78 s PHE 142 CO -0.03 0.24 0.04 -0.80 -0.10 0.00 0.00 175.22 174.57 2k78 s ASN 143 N -2.84 3.89 0.00 1.36 0.01 0.42 -1.46 114.94 116.32 2k78 s ASN 143 Ca 0.44 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.16 2k78 s ASN 143 Cb -0.11 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.54 2k78 s ASN 143 CO 0.27 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 2k78 n GLY 144 N 4.75 4.25 1.26 0.66 0.00 -0.09 -2.82 105.19 113.21 2k78 n GLY 144 Ca -0.05 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.92 0.00 1.61 -0.04 -1.26 -4.76 135.00 127.62 2k78 n PRO 145 Ca 0.00 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2k78 n PRO 145 Cb 0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.06 0.00 0.00 0.52 -2.24 -1.26 -4.37 114.28 102.87 2k78 n THR 146 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2k78 n THR 146 Cb 0.23 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2k78 n THR 146 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2k78 n ASP 147 N -1.74 0.00 -3.71 3.42 5.75 -1.26 -5.01 116.55 113.99 2k78 n ASP 147 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.53 2k78 n ASP 147 Cb 0.00 0.01 0.05 0.00 -1.03 0.00 0.00 41.12 40.15 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2k78 n VAL 148 N -1.49 -3.38 -2.79 2.12 0.31 -1.26 -4.92 118.33 106.92 2k78 n VAL 148 Ca 0.00 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2k78 n VAL 148 Cb 0.00 -3.67 -0.03 0.00 -0.91 0.00 0.00 33.84 29.23 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 -3.40 3.27 -2.00 3.52 0.00 -1.26 -5.30 121.76 116.60 2k78 s ALA 149 Ca 0.41 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.80 2k78 s ALA 149 Cb -0.19 -3.26 0.26 0.00 0.00 0.00 0.00 23.12 19.92 2k78 s ALA 149 CO 0.78 -0.30 0.74 0.41 0.00 0.00 0.00 175.76 177.39