#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 -3.42 -1.91 7.33 0.00 -1.26 -4.92 121.76 117.59 2k78 s ALA 26 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2k78 s ALA 26 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.40 2k78 s ALA 26 CO 0.00 -1.98 0.00 -1.71 0.00 0.00 0.00 175.76 172.07 2k78 n ASN 27 N 5.23 -5.34 -3.15 0.00 5.15 -1.26 -4.92 115.26 110.97 2k78 n ASN 27 Ca 0.07 0.34 0.04 0.00 -0.60 0.00 0.00 54.58 54.44 2k78 n ASN 27 Cb 0.56 -4.48 -0.01 0.00 -0.53 0.00 0.00 39.78 35.32 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k78 s ALA 28 N -2.77 -2.50 0.00 5.20 0.00 -1.26 -5.03 121.76 115.41 2k78 s ALA 28 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2k78 s ALA 28 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2k78 s ALA 28 CO 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 175.76 174.39 2k78 n ALA 29 N 5.44 0.00 -2.89 0.00 0.00 -1.26 -4.76 120.51 117.04 2k78 n ALA 29 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 2k78 n ALA 29 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.34 -5.34 -3.49 0.00 8.00 -1.26 -4.93 116.55 107.19 2k78 n ASP 30 Ca 0.00 -0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 2k78 n ASP 30 Cb 0.00 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 36.68 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2k78 s SER 31 N -2.49 -0.62 0.00 -2.24 0.15 -1.26 -1.68 113.70 105.56 2k78 s SER 31 Ca 0.22 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2k78 s SER 31 Cb -0.11 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2k78 s SER 31 CO 0.28 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2k78 n GLY 32 N 0.49 -0.35 3.51 9.45 0.00 -0.23 -4.96 105.19 113.10 2k78 n GLY 32 Ca -0.18 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 4.81 0.26 2.61 -4.23 -1.26 0.16 115.64 115.99 2k78 s THR 33 Ca 0.00 0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2k78 s THR 33 Cb 0.00 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2k78 s THR 33 CO 0.00 -0.64 0.46 -0.22 -0.54 0.00 0.00 174.62 173.68 2k78 s LEU 34 N 2.85 4.15 0.24 4.79 2.96 0.24 -4.88 118.68 129.02 2k78 s LEU 34 Ca 0.22 0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 54.26 2k78 s LEU 34 Cb -0.14 -3.23 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 2k78 s LEU 34 CO 0.19 -0.14 0.94 0.20 -1.32 0.00 0.00 176.35 176.21 2k78 s ASN 35 N -3.51 7.64 0.04 3.68 -0.87 -1.09 -2.63 114.94 118.19 2k78 s ASN 35 Ca 0.39 1.95 -0.27 0.00 -1.57 0.00 0.00 52.86 53.36 2k78 s ASN 35 Cb -0.10 -2.61 0.09 0.00 -0.02 0.00 0.00 41.25 38.61 2k78 s ASN 35 CO 0.31 0.15 0.84 -0.72 -2.57 0.00 0.00 177.10 175.11 2k78 s TYR 36 N -1.14 -0.37 0.22 2.20 1.13 -1.26 0.15 117.35 118.28 2k78 s TYR 36 Ca 0.41 0.21 -0.06 0.00 -1.41 0.00 0.00 57.07 56.22 2k78 s TYR 36 Cb -0.26 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.17 2k78 s TYR 36 CO 0.32 -0.62 0.40 -1.91 -2.51 0.00 0.00 175.55 171.23 2k78 n GLU 37 N -0.28 0.57 -4.14 -3.49 2.13 0.92 -4.85 120.64 111.50 2k78 n GLU 37 Ca -0.10 -1.46 -0.10 0.00 0.66 0.00 0.00 57.16 56.16 2k78 n GLU 37 Cb 0.62 1.63 -0.10 0.00 0.27 0.00 0.00 31.44 33.87 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2k78 s VAL 38 N -2.55 0.07 0.11 6.31 -7.23 -1.26 -0.53 120.40 115.33 2k78 s VAL 38 Ca 0.12 -1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2k78 s VAL 38 Cb -0.02 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 2k78 s VAL 38 CO 0.09 -0.31 0.23 -0.31 -0.31 0.00 0.00 175.10 174.49 2k78 s TYR 39 N -4.07 0.20 0.22 2.82 2.02 -1.18 -3.93 117.35 113.43 2k78 s TYR 39 Ca 0.28 -0.61 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2k78 s TYR 39 Cb 0.07 -0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.50 2k78 s TYR 39 CO 0.05 -0.61 1.34 0.21 -1.57 0.00 0.00 175.55 174.97 2k78 s LYS 40 N -3.89 4.36 0.56 -0.62 2.47 0.22 -1.75 119.74 121.08 2k78 s LYS 40 Ca 0.08 2.13 -0.21 0.00 -1.56 0.00 0.00 55.97 56.41 2k78 s LYS 40 Cb 0.04 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 33.21 2k78 s LYS 40 CO -0.08 -0.28 1.35 -0.47 0.16 0.00 0.00 175.35 176.03 2k78 s TYR 41 N -0.05 2.26 0.00 4.03 5.04 -1.26 -1.73 117.35 125.65 2k78 s TYR 41 Ca 0.56 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 2k78 s TYR 41 Cb -0.38 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.14 2k78 s TYR 41 CO 0.41 -2.90 0.00 -1.71 -1.34 0.00 0.00 175.55 170.01 2k78 n ASN 42 N -1.12 -2.04 -0.48 4.32 5.15 -1.26 -4.93 115.26 114.89 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 0.45 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 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 -2.24 0.00 -0.70 -0.44 -2.24 -0.70 -5.07 114.28 102.89 2k78 n THR 43 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2k78 n THR 43 Cb 0.11 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.97 1.00 -4.07 3.42 4.13 -1.26 -4.76 115.26 112.75 2k78 n ASN 44 Ca 0.00 -1.66 -0.14 0.00 1.68 0.00 0.00 54.58 54.46 2k78 n ASN 44 Cb 0.00 -0.05 -0.12 0.00 -1.54 0.00 0.00 39.78 38.07 2k78 n ASN 44 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2k78 s ASP 45 N -0.73 0.94 0.19 6.41 1.01 -1.26 -4.88 116.67 118.35 2k78 s ASP 45 Ca 0.03 -0.51 -0.30 0.00 0.71 0.00 0.00 52.55 52.48 2k78 s ASP 45 Cb 0.02 0.01 -0.08 0.00 1.01 0.00 0.00 42.92 43.89 2k78 s ASP 45 CO 0.00 -0.16 1.00 -0.89 0.21 0.00 0.00 175.17 175.34 2k78 s THR 46 N -1.23 4.10 0.00 -1.27 2.01 -1.25 0.68 115.64 118.68 2k78 s THR 46 Ca -0.08 1.91 0.00 0.00 0.31 0.00 0.00 61.69 63.83 2k78 s THR 46 Cb -0.09 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.20 2k78 s THR 46 CO 0.01 0.37 0.00 -0.24 -0.69 0.00 0.00 174.62 174.07 2k78 n SER 47 N 2.08 1.97 0.00 3.53 2.88 -1.26 -4.78 113.62 118.05 2k78 n SER 47 Ca 0.01 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2k78 n SER 47 Cb 0.47 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 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 -0.72 0.00 -0.18 2.46 5.41 -1.26 -4.84 119.36 120.23 2k78 n ILE 48 Ca 0.00 0.00 0.29 0.00 1.00 0.00 0.00 62.75 64.04 2k78 n ILE 48 Cb 0.00 -0.14 0.62 0.00 -0.71 0.00 0.00 39.64 39.42 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 2.80 0.00 -1.39 0.00 -1.95 0.78 119.26 119.50 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 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k78 h ALA 49 CO 0.00 -1.42 0.00 -1.71 0.00 0.00 0.00 179.25 176.12 2k78 n ASN 50 N -3.59 0.00 -1.58 0.00 5.15 -1.26 -2.16 115.26 111.81 2k78 n ASN 50 Ca 0.20 0.42 0.09 0.00 -0.60 0.00 0.00 54.58 54.70 2k78 n ASN 50 Cb 1.24 -0.46 0.35 0.00 -0.53 0.00 0.00 39.78 40.39 2k78 n ASN 50 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k78 n ASP 51 N -1.46 4.70 -0.08 1.20 9.92 0.27 -4.25 116.55 126.85 2k78 n ASP 51 Ca 0.03 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 2k78 n ASP 51 Cb 0.13 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 2k78 n ASP 51 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2k78 n TYR 52 N 1.13 0.00 -3.76 1.24 4.01 -0.92 -5.03 117.16 113.83 2k78 n TYR 52 Ca 0.25 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.71 2k78 n TYR 52 Cb 0.88 0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.76 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 1.39 0.91 -0.72 0.08 -1.22 -2.82 117.98 115.60 2k78 s PHE 53 Ca 0.00 -1.21 -0.12 0.00 0.12 0.00 0.00 56.93 55.72 2k78 s PHE 53 Cb 0.00 -1.27 0.14 0.00 -0.57 0.00 0.00 43.02 41.31 2k78 s PHE 53 CO 0.00 -0.70 1.11 1.21 -0.10 0.00 0.00 175.22 176.73 2k78 s ASN 54 N 1.73 3.47 0.15 1.36 3.84 -1.26 -4.96 114.94 119.27 2k78 s ASN 54 Ca 0.01 1.18 -0.08 0.00 0.21 0.00 0.00 52.86 54.19 2k78 s ASN 54 Cb -0.17 -1.84 -0.01 0.00 -0.55 0.00 0.00 41.25 38.68 2k78 s ASN 54 CO -0.12 -2.60 0.24 -1.59 -2.79 0.00 0.00 177.10 170.24 2k78 s LYS 55 N -5.11 1.09 0.56 0.43 -2.85 -1.26 -4.61 119.74 107.99 2k78 s LYS 55 Ca 0.63 -1.19 -0.09 0.00 -1.00 0.00 0.00 55.97 54.32 2k78 s LYS 55 Cb -0.16 0.35 0.13 0.00 -2.06 0.00 0.00 37.83 36.09 2k78 s LYS 55 CO 0.55 -0.38 0.70 -0.35 0.10 0.00 0.00 175.35 175.97 2k78 n PRO 56 N -0.18 -0.96 -3.03 1.78 -0.04 -1.26 -5.16 135.00 126.15 2k78 n PRO 56 Ca -0.08 -1.09 -0.17 0.00 -0.04 0.00 0.00 63.50 62.12 2k78 n PRO 56 Cb 0.63 -0.77 0.01 0.00 -0.04 0.00 0.00 33.50 33.33 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 -3.81 4.52 -0.28 0.55 0.00 -1.08 -4.91 121.76 116.75 2k78 s ALA 57 Ca 0.41 -1.69 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 2k78 s ALA 57 Cb -0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2k78 s ALA 57 CO 0.29 -0.29 0.17 0.15 0.00 0.00 0.00 175.76 176.08 2k78 s LYS 58 N -4.35 3.85 0.34 0.00 1.02 -1.16 -0.59 119.74 118.84 2k78 s LYS 58 Ca 0.55 -0.38 0.04 0.00 0.02 0.00 0.00 55.97 56.20 2k78 s LYS 58 Cb -0.10 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2k78 s LYS 58 CO 0.33 -0.20 0.49 1.52 -0.92 0.00 0.00 175.35 176.57 2k78 s TYR 59 N 1.73 3.28 -0.28 3.18 -0.85 0.42 -1.10 117.35 123.71 2k78 s TYR 59 Ca 0.07 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.61 2k78 s TYR 59 Cb -0.16 -1.94 0.17 0.00 0.38 0.00 0.00 41.96 40.42 2k78 s TYR 59 CO 0.09 0.05 0.53 -1.50 -1.52 0.00 0.00 175.55 173.20 2k78 s ILE 60 N -2.22 -0.87 -0.02 -3.49 2.07 -1.14 -1.07 121.20 114.46 2k78 s ILE 60 Ca 0.42 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.68 2k78 s ILE 60 Cb -0.09 -0.94 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 2k78 s ILE 60 CO 0.33 -0.04 -0.14 -0.54 -1.91 0.00 0.00 174.94 172.63 2k78 s LYS 61 N 2.75 1.31 -0.56 3.50 3.01 -0.68 -0.30 119.74 128.78 2k78 s LYS 61 Ca 0.18 -0.51 0.06 0.00 -1.01 0.00 0.00 55.97 54.69 2k78 s LYS 61 Cb -0.15 -1.22 0.32 0.00 -1.01 0.00 0.00 37.83 35.77 2k78 s LYS 61 CO -0.19 0.26 0.87 1.17 0.51 0.00 0.00 175.35 177.97 2k78 n LYS 62 N 2.95 2.79 -2.96 1.68 4.81 -0.39 -4.36 118.16 122.68 2k78 n LYS 62 Ca -0.16 -4.62 -0.01 0.00 -0.87 0.00 0.00 58.31 52.64 2k78 n LYS 62 Cb 0.54 -2.16 -0.01 0.00 0.02 0.00 0.00 35.03 33.43 2k78 n LYS 62 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2k78 n ASN 63 N 0.07 -5.80 0.00 3.14 3.02 -1.26 -4.12 115.26 110.31 2k78 n ASN 63 Ca 0.30 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 2k78 n ASN 63 Cb 0.43 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k78 n GLY 64 N 2.02 0.11 3.26 7.41 0.00 -1.26 -5.04 105.19 111.68 2k78 n GLY 64 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.98 0.91 -0.19 1.61 -2.85 -1.26 -5.17 119.74 111.82 2k78 s LYS 65 Ca 0.00 -0.74 -0.29 0.00 -1.00 0.00 0.00 55.97 53.94 2k78 s LYS 65 Cb 0.00 0.39 0.13 0.00 -2.06 0.00 0.00 37.83 36.29 2k78 s LYS 65 CO 0.00 -0.32 1.03 -0.48 0.10 0.00 0.00 175.35 175.68 2k78 s LEU 66 N -2.61 -0.35 0.00 2.77 2.34 -1.26 -1.26 118.68 118.31 2k78 s LEU 66 Ca 0.01 0.43 0.00 0.00 0.06 0.00 0.00 54.13 54.64 2k78 s LEU 66 Cb 0.02 1.80 0.00 0.00 -0.56 0.00 0.00 46.19 47.46 2k78 s LEU 66 CO -0.09 -0.29 0.00 -1.22 -1.06 0.00 0.00 176.35 173.69 2k78 n TYR 67 N 0.92 -0.01 -3.54 3.48 4.02 0.59 -4.05 117.16 118.57 2k78 n TYR 67 Ca -0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.78 2k78 n TYR 67 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.39 -0.30 -0.16 -0.72 1.01 -0.48 -2.87 120.40 115.49 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 0.25 0.00 0.00 0.00 0.00 175.10 175.35 2k78 s GLN 69 N 1.97 4.18 -0.04 2.72 1.03 -0.26 0.40 119.66 129.66 2k78 s GLN 69 Ca -0.06 0.01 0.02 0.00 0.04 0.00 0.00 55.36 55.37 2k78 s GLN 69 Cb -0.05 -3.40 -0.03 0.00 0.03 0.00 0.00 33.01 29.55 2k78 s GLN 69 CO -0.17 0.30 -0.09 -1.50 -2.54 0.00 0.00 175.29 171.30 2k78 s ILE 70 N 0.30 3.54 -0.20 3.63 1.10 0.99 -3.00 121.20 127.55 2k78 s ILE 70 Ca 0.14 -0.64 -0.20 0.00 -0.51 0.00 0.00 60.65 59.44 2k78 s ILE 70 Cb -0.12 -2.47 -0.03 0.00 0.15 0.00 0.00 42.46 39.99 2k78 s ILE 70 CO 0.03 0.52 0.61 -0.89 -2.11 0.00 0.00 174.94 173.10 2k78 s THR 71 N -0.86 5.04 -0.17 4.00 2.01 -1.26 -1.42 115.64 122.97 2k78 s THR 71 Ca 0.14 1.14 -0.08 0.00 0.31 0.00 0.00 61.69 63.20 2k78 s THR 71 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k78 s THR 71 CO 0.03 0.12 0.09 -0.69 -0.69 0.00 0.00 174.62 173.48 2k78 s VAL 72 N 1.87 5.04 -0.05 3.82 1.01 0.43 -4.18 120.40 128.34 2k78 s VAL 72 Ca 0.28 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 2k78 s VAL 72 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2k78 s VAL 72 CO 0.10 0.48 0.16 0.21 0.00 0.00 0.00 175.10 176.05 2k78 s ASN 73 N 0.12 6.30 -0.18 3.32 2.47 -1.13 -1.92 114.94 123.93 2k78 s ASN 73 Ca 0.07 0.37 -0.08 0.00 0.42 0.00 0.00 52.86 53.64 2k78 s ASN 73 Cb -0.12 -1.99 0.03 0.00 -1.45 0.00 0.00 41.25 37.72 2k78 s ASN 73 CO 0.00 0.32 0.15 1.41 -3.72 0.00 0.00 177.10 175.26 2k78 n HIS 74 N 1.34 -3.55 0.32 0.43 8.25 -0.95 -4.52 115.22 116.55 2k78 n HIS 74 Ca -0.14 1.95 0.16 0.00 -0.26 0.00 0.00 57.72 59.43 2k78 n HIS 74 Cb 0.53 -3.39 0.64 0.00 1.12 0.00 0.00 29.99 28.90 2k78 n HIS 74 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2k78 h SER 75 N 4.04 0.00 0.03 0.41 0.02 -1.83 -3.03 113.55 113.19 2k78 h SER 75 Ca -0.35 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.52 2k78 h SER 75 Cb 0.84 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.39 2k78 h SER 75 CO 0.03 0.00 -0.33 -0.74 -1.14 0.00 0.00 176.83 174.64 2k78 h HIS 76 N 0.00 0.27 0.88 3.45 6.17 -1.88 -3.37 115.15 120.67 2k78 h HIS 76 Ca 0.00 -0.17 -0.04 0.00 0.71 0.00 0.00 60.37 60.87 2k78 h HIS 76 Cb 0.43 -0.02 0.01 0.00 2.52 0.00 0.00 27.41 30.35 2k78 h HIS 76 CO 0.00 1.05 -0.42 -1.49 0.71 0.00 0.00 177.93 177.78 2k78 h TRP 77 N -0.59 -1.10 -3.41 5.26 6.55 -1.76 -3.38 115.95 117.52 2k78 h TRP 77 Ca -0.05 -0.03 -0.60 0.00 0.95 0.00 0.00 58.89 59.17 2k78 h TRP 77 Cb 1.17 0.36 -0.10 0.00 -0.86 0.00 0.00 29.16 29.74 2k78 h TRP 77 CO 0.21 -0.68 0.17 -1.50 -1.05 0.00 0.00 178.44 175.59 2k78 s ILE 78 N -5.69 4.99 -0.09 1.49 2.07 -1.15 -3.15 121.20 119.68 2k78 s ILE 78 Ca -0.18 1.23 0.15 0.00 -1.41 0.00 0.00 60.65 60.44 2k78 s ILE 78 Cb 0.02 -3.97 -0.12 0.00 0.13 0.00 0.00 42.46 38.53 2k78 s ILE 78 CO 0.56 0.08 0.97 0.00 -1.91 0.00 0.00 174.94 174.65 2k78 h THR 79 N 5.23 0.75 -2.15 4.00 1.03 -1.65 -3.43 112.91 116.70 2k78 h THR 79 Ca -0.30 -2.30 0.35 0.00 -0.01 0.00 0.00 66.41 64.15 2k78 h THR 79 Cb 1.14 2.26 -0.07 0.00 -1.07 0.00 0.00 68.15 70.41 2k78 h THR 79 CO 0.78 0.43 0.91 -0.83 -0.01 0.00 0.00 175.52 176.81 2k78 s GLY 80 N -4.77 -0.12 0.16 2.99 0.00 -1.13 -4.95 107.32 99.50 2k78 s GLY 80 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 2k78 s GLY 80 CO 0.80 6.00 0.38 1.06 0.00 0.00 0.00 173.10 181.34 2k78 s MET 81 N -2.01 1.18 -0.21 2.90 -1.94 -1.26 -2.70 119.30 115.25 2k78 s MET 81 Ca 0.30 -0.94 -0.17 0.00 -1.71 0.00 0.00 55.69 53.17 2k78 s MET 81 Cb -0.01 0.44 0.06 0.00 2.01 0.00 0.00 34.83 37.33 2k78 s MET 81 CO -0.01 -0.46 0.55 0.45 -0.01 0.00 0.00 175.02 175.54 2k78 s SER 82 N -2.89 -0.61 0.00 3.03 0.15 0.47 -2.91 113.70 110.94 2k78 s SER 82 Ca 0.10 1.13 0.02 0.00 0.70 0.00 0.00 55.95 57.90 2k78 s SER 82 Cb 0.02 1.11 -0.01 0.00 -1.71 0.00 0.00 66.02 65.43 2k78 s SER 82 CO -0.05 -0.20 -0.05 -0.63 1.20 0.00 0.00 173.24 173.51 2k78 s ILE 83 N 0.60 0.40 0.00 6.45 1.01 -1.10 0.16 121.20 128.72 2k78 s ILE 83 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2k78 s ILE 83 Cb -0.05 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.06 2k78 s ILE 83 CO -0.04 0.05 0.00 1.21 0.00 0.00 0.00 174.94 176.16 2k78 n GLU 84 N 2.77 0.00 0.00 2.79 0.00 -0.52 -3.06 120.64 122.62 2k78 n GLU 84 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 2k78 n GLU 84 Cb 0.58 -3.21 0.00 0.00 0.00 0.00 0.00 31.44 28.81 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k78 n GLY 85 N -2.00 1.40 3.11 8.31 0.00 -1.26 -5.04 105.19 109.71 2k78 n GLY 85 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.65 0.43 1.61 -3.43 -1.17 -5.16 115.29 106.22 2k78 s HIS 86 Ca 0.00 -0.99 -0.07 0.00 -0.80 0.00 0.00 55.06 53.20 2k78 s HIS 86 Cb 0.00 -0.43 0.11 0.00 -1.43 0.00 0.00 32.58 30.83 2k78 s HIS 86 CO 0.00 -0.29 0.41 1.63 -2.00 0.00 0.00 174.74 174.49 2k78 n LYS 87 N 0.12 -1.58 -3.72 -0.38 4.01 -1.26 -2.71 118.16 112.65 2k78 n LYS 87 Ca -0.14 -0.65 -0.22 0.00 -0.51 0.00 0.00 58.31 56.80 2k78 n LYS 87 Cb 0.61 -0.57 -0.04 0.00 -0.51 0.00 0.00 35.03 34.51 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 -3.92 2.45 -0.13 1.97 -1.05 -1.14 -4.65 118.70 112.22 2k78 s GLU 88 Ca 0.26 -1.63 0.03 0.00 -0.15 0.00 0.00 54.97 53.48 2k78 s GLU 88 Cb -0.02 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.41 2k78 s GLU 88 CO 0.20 -0.18 -0.21 -0.80 0.95 0.00 0.00 175.26 175.21 2k78 s ASN 89 N -4.07 3.03 -0.52 0.83 0.02 -1.24 -4.96 114.94 108.04 2k78 s ASN 89 Ca 0.46 -0.58 -0.27 0.00 -1.02 0.00 0.00 52.86 51.45 2k78 s ASN 89 Cb -0.01 -1.40 -0.03 0.00 0.02 0.00 0.00 41.25 39.83 2k78 s ASN 89 CO 0.26 0.08 1.95 0.27 0.02 0.00 0.00 177.10 179.68 2k78 s ILE 90 N 0.80 3.32 -0.12 0.60 -4.36 -1.26 -3.18 121.20 116.99 2k78 s ILE 90 Ca -0.08 0.23 0.17 0.00 -0.26 0.00 0.00 60.65 60.71 2k78 s ILE 90 Cb -0.16 -3.69 -0.23 0.00 1.25 0.00 0.00 42.46 39.64 2k78 s ILE 90 CO -0.01 -0.62 0.45 0.00 0.24 0.00 0.00 174.94 175.00 2k78 n ILE 91 N 7.41 1.28 -3.10 8.37 3.06 -1.00 -4.87 119.36 130.51 2k78 n ILE 91 Ca 0.24 -0.77 0.03 0.00 -2.50 0.00 0.00 62.75 59.75 2k78 n ILE 91 Cb 0.51 -0.65 -0.00 0.00 0.54 0.00 0.00 39.64 40.04 2k78 n ILE 91 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2k78 s SER 92 N -5.64 -1.08 -0.42 9.51 0.01 -1.25 -4.98 113.70 109.84 2k78 s SER 92 Ca -0.07 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 56.89 2k78 s SER 92 Cb 0.08 1.56 0.02 0.00 0.21 0.00 0.00 66.02 67.89 2k78 s SER 92 CO 0.83 -0.17 0.47 -0.75 0.41 0.00 0.00 173.24 174.03 2k78 s LYS 93 N 2.50 3.12 -1.04 12.44 2.20 -1.26 -1.88 119.74 135.82 2k78 s LYS 93 Ca 0.17 -0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 2k78 s LYS 93 Cb -0.04 -3.97 0.23 0.00 -1.51 0.00 0.00 37.83 32.54 2k78 s LYS 93 CO -0.19 -0.88 1.08 1.21 -0.36 0.00 0.00 175.35 176.21 2k78 s ASN 94 N 1.84 7.06 0.39 1.43 2.47 -0.03 -4.84 114.94 123.26 2k78 s ASN 94 Ca 0.14 -3.09 0.11 0.00 0.42 0.00 0.00 52.86 50.44 2k78 s ASN 94 Cb -0.17 -2.26 0.80 0.00 -1.45 0.00 0.00 41.25 38.17 2k78 s ASN 94 CO 0.14 -0.53 1.89 0.71 -3.72 0.00 0.00 177.10 175.60 2k78 h THR 95 N 4.37 1.20 -0.23 -5.21 1.35 -1.95 0.22 112.91 112.65 2k78 h THR 95 Ca 0.18 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 2k78 h THR 95 Cb 0.93 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 2k78 h THR 95 CO 0.99 0.27 0.11 0.00 -0.25 0.00 0.00 175.52 176.65 2k78 h ALA 96 N 1.67 0.30 -0.49 6.62 0.00 -1.93 -2.58 119.26 122.84 2k78 h ALA 96 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k78 h ALA 96 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k78 h ALA 96 CO 0.03 -0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.79 2k78 n LYS 97 N -4.82 3.68 -3.68 0.00 4.76 -1.10 -4.94 118.16 112.05 2k78 n LYS 97 Ca -0.03 -2.42 -0.31 0.00 -2.87 0.00 0.00 58.31 52.68 2k78 n LYS 97 Cb 0.11 -1.95 0.04 0.00 -1.84 0.00 0.00 35.03 31.39 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k78 n ASP 98 N 0.68 -5.36 -3.31 4.39 8.00 -0.35 -4.89 116.55 115.71 2k78 n ASP 98 Ca 0.22 -1.01 -0.15 0.00 0.71 0.00 0.00 54.79 54.56 2k78 n ASP 98 Cb 0.88 -3.33 -0.05 0.00 -0.02 0.00 0.00 41.12 38.61 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 -5.95 1.87 0.00 -1.24 2.02 0.64 -2.24 118.70 113.80 2k78 s GLU 99 Ca 0.46 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2k78 s GLU 99 Cb -0.17 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2k78 s GLU 99 CO 0.86 -0.77 0.00 -2.13 0.02 0.00 0.00 175.26 173.25 2k78 n ARG 100 N -0.56 0.00 -4.09 1.61 0.63 -0.81 -0.85 116.66 112.60 2k78 n ARG 100 Ca 0.01 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.84 2k78 n ARG 100 Cb 0.62 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.42 2k78 n ARG 100 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2k78 s THR 101 N -2.00 0.47 -0.07 5.15 2.01 -0.79 0.16 115.64 120.58 2k78 s THR 101 Ca 0.00 -1.45 -0.06 0.00 0.31 0.00 0.00 61.69 60.49 2k78 s THR 101 Cb 0.00 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.48 2k78 s THR 101 CO 0.00 -0.66 0.18 -0.94 -0.69 0.00 0.00 174.62 172.52 2k78 s SER 102 N -2.25 -0.19 0.08 3.53 1.04 -0.51 -2.36 113.70 113.04 2k78 s SER 102 Ca -0.01 0.37 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 2k78 s SER 102 Cb -0.02 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.41 2k78 s SER 102 CO -0.03 -0.07 0.42 -0.70 0.98 0.00 0.00 173.24 173.84 2k78 s GLU 103 N 0.16 3.81 0.05 4.02 2.12 -1.19 -0.01 118.70 127.66 2k78 s GLU 103 Ca -0.01 0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.63 2k78 s GLU 103 Cb -0.02 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 2k78 s GLU 103 CO -0.00 0.57 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.07 2k78 s PHE 104 N -1.36 1.36 -0.19 5.30 0.40 0.16 -3.61 117.98 120.04 2k78 s PHE 104 Ca 0.32 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 2k78 s PHE 104 Cb -0.14 -0.79 -0.05 0.00 0.51 0.00 0.00 43.02 42.55 2k78 s PHE 104 CO 0.17 0.06 0.10 -2.00 0.70 0.00 0.00 175.22 174.25 2k78 s GLU 105 N -1.31 4.08 -0.13 0.44 2.56 -1.26 -1.39 118.70 121.69 2k78 s GLU 105 Ca 0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 54.97 54.59 2k78 s GLU 105 Cb -0.09 -3.32 0.03 0.00 2.00 0.00 0.00 34.13 32.76 2k78 s GLU 105 CO 0.02 0.28 0.34 0.54 -0.56 0.00 0.00 175.26 175.88 2k78 s VAL 106 N 0.38 -0.00 -0.48 3.70 0.11 -1.26 -4.73 120.40 118.12 2k78 s VAL 106 Ca 0.05 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.85 2k78 s VAL 106 Cb -0.12 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 2k78 s VAL 106 CO -0.01 0.00 2.15 -0.55 -3.33 0.00 0.00 175.10 173.37 2k78 s SER 107 N 0.25 4.96 0.40 3.54 0.15 -1.26 -4.66 113.70 117.08 2k78 s SER 107 Ca -0.01 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2k78 s SER 107 Cb -0.03 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2k78 s SER 107 CO -0.00 -2.50 0.00 1.17 1.20 0.00 0.00 173.24 173.11 2k78 n LYS 108 N 8.97 -2.64 -3.10 5.44 3.00 -1.26 -4.83 118.16 123.74 2k78 n LYS 108 Ca 0.29 1.94 -0.18 0.00 -0.00 0.00 0.00 58.31 60.37 2k78 n LYS 108 Cb 0.52 -3.23 -0.05 0.00 0.00 0.00 0.00 35.03 32.28 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2k78 n LEU 109 N -3.92 -1.49 -3.05 3.14 -0.00 -1.26 -5.00 117.00 105.42 2k78 n LEU 109 Ca -0.03 -3.90 -0.17 0.00 -0.00 0.00 0.00 56.01 51.91 2k78 n LEU 109 Cb 0.66 0.66 -0.01 0.00 -0.00 0.00 0.00 43.42 44.72 2k78 n LEU 109 CO 0.02 1.94 -0.10 -3.20 -0.00 0.00 0.00 177.39 176.05 2k78 n ASN 110 N 2.46 -0.39 0.00 1.45 4.05 -1.25 -1.57 115.26 120.02 2k78 n ASN 110 Ca 0.23 -3.08 0.00 0.00 0.45 0.00 0.00 54.58 52.18 2k78 n ASN 110 Cb 0.53 0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.67 2k78 n ASN 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 111 N 0.80 -1.62 3.76 8.20 0.00 0.76 -4.87 105.19 112.23 2k78 n GLY 111 Ca 0.19 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.75 4.70 0.04 1.61 0.00 -1.26 0.51 119.74 123.59 2k78 s LYS 112 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 55.97 57.31 2k78 s LYS 112 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 37.83 34.56 2k78 s LYS 112 CO 0.00 0.53 -0.08 0.42 0.00 0.00 0.00 175.35 176.22 2k78 s ILE 113 N -1.19 0.54 -0.02 3.79 1.01 0.35 -4.93 121.20 120.75 2k78 s ILE 113 Ca 0.39 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2k78 s ILE 113 Cb -0.24 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2k78 s ILE 113 CO 0.29 -0.39 1.14 -1.81 0.00 0.00 0.00 174.94 174.17 2k78 s ASP 114 N -1.60 7.13 0.27 3.58 1.11 -1.26 -2.16 116.67 123.75 2k78 s ASP 114 Ca -0.10 1.82 0.02 0.00 0.18 0.00 0.00 52.55 54.47 2k78 s ASP 114 Cb -0.10 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.27 2k78 s ASP 114 CO 0.00 -0.48 0.07 -0.83 1.18 0.00 0.00 175.17 175.11 2k78 s GLY 115 N 1.23 1.79 0.09 0.21 0.00 -1.13 -1.43 107.32 108.07 2k78 s GLY 115 Ca 0.55 -1.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 2k78 s GLY 115 CO 0.25 -1.66 0.18 0.54 0.00 0.00 0.00 173.10 172.41 2k78 s LYS 116 N -3.97 0.83 -0.17 2.90 3.01 0.41 -2.83 119.74 119.92 2k78 s LYS 116 Ca 0.36 -0.95 -0.24 0.00 -1.01 0.00 0.00 55.97 54.12 2k78 s LYS 116 Cb 0.08 0.34 0.06 0.00 -1.01 0.00 0.00 37.83 37.30 2k78 s LYS 116 CO 0.13 -0.26 0.63 -1.50 0.51 0.00 0.00 175.35 174.87 2k78 s ILE 117 N -3.81 0.00 0.25 2.17 -1.16 -0.95 0.18 121.20 117.87 2k78 s ILE 117 Ca 0.05 -0.03 0.07 0.00 -0.51 0.00 0.00 60.65 60.22 2k78 s ILE 117 Cb 0.05 -0.91 -0.04 0.00 0.61 0.00 0.00 42.46 42.17 2k78 s ILE 117 CO -0.11 -0.02 0.17 -1.81 -2.81 0.00 0.00 174.94 170.37 2k78 s ASP 118 N -0.23 5.43 0.04 4.50 1.11 -1.10 -2.20 116.67 124.22 2k78 s ASP 118 Ca -0.04 -0.28 0.03 0.00 0.18 0.00 0.00 52.55 52.43 2k78 s ASP 118 Cb -0.03 -1.35 -0.02 0.00 1.07 0.00 0.00 42.92 42.58 2k78 s ASP 118 CO 0.04 -0.03 -0.09 -0.69 1.18 0.00 0.00 175.17 175.58 2k78 s VAL 119 N -2.13 0.63 -0.26 -1.27 1.01 -1.12 -2.13 120.40 115.13 2k78 s VAL 119 Ca 0.33 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2k78 s VAL 119 Cb -0.08 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 35.77 2k78 s VAL 119 CO 0.24 -0.32 0.39 -0.47 0.00 0.00 0.00 175.10 174.95 2k78 s TYR 120 N -1.28 -0.89 0.06 5.22 6.14 -1.19 -2.72 117.35 122.71 2k78 s TYR 120 Ca -0.08 0.74 0.02 0.00 0.64 0.00 0.00 57.07 58.39 2k78 s TYR 120 Cb -0.09 -0.01 -0.03 0.00 0.42 0.00 0.00 41.96 42.25 2k78 s TYR 120 CO 0.01 -0.79 -0.08 0.42 0.64 0.00 0.00 175.55 175.75 2k78 s ILE 121 N 2.55 0.67 -0.29 3.14 1.01 0.44 -4.44 121.20 124.28 2k78 s ILE 121 Ca 0.12 -1.38 0.05 0.00 0.00 0.00 0.00 60.65 59.45 2k78 s ILE 121 Cb -0.15 -1.00 0.20 0.00 0.01 0.00 0.00 42.46 41.52 2k78 s ILE 121 CO -0.19 -0.51 0.59 1.51 0.00 0.00 0.00 174.94 176.33 2k78 s ASP 122 N -2.06 -1.56 0.00 3.58 1.47 -1.26 -0.60 116.67 116.25 2k78 s ASP 122 Ca -0.02 0.25 0.00 0.00 1.18 0.00 0.00 52.55 53.96 2k78 s ASP 122 Cb -0.05 2.03 0.00 0.00 -0.34 0.00 0.00 42.92 44.55 2k78 s ASP 122 CO -0.01 -0.30 0.00 -1.84 0.68 0.00 0.00 175.17 173.70 2k78 n GLU 123 N 5.42 0.00 -3.09 2.11 0.28 -1.02 -4.99 120.64 119.35 2k78 n GLU 123 Ca 0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.83 2k78 n GLU 123 Cb 0.54 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.42 2k78 n GLU 123 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2k78 s LYS 124 N -0.54 2.99 -0.36 3.44 2.20 -1.26 0.16 119.74 126.37 2k78 s LYS 124 Ca 0.00 -0.74 0.07 0.00 -0.36 0.00 0.00 55.97 54.94 2k78 s LYS 124 Cb 0.00 -2.64 0.18 0.00 -1.51 0.00 0.00 37.83 33.86 2k78 s LYS 124 CO 0.00 -0.23 0.58 0.08 -0.36 0.00 0.00 175.35 175.42 2k78 s VAL 125 N -2.45 -0.92 -1.29 4.02 1.01 -0.92 -4.74 120.40 115.11 2k78 s VAL 125 Ca 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2k78 s VAL 125 Cb -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2k78 s VAL 125 CO 0.36 -0.07 0.04 -3.20 0.00 0.00 0.00 175.10 172.23 2k78 n ASN 126 N 4.78 -4.62 -0.41 3.32 4.05 -1.26 -2.71 115.26 118.41 2k78 n ASN 126 Ca 0.08 -0.03 0.00 0.00 0.45 0.00 0.00 54.58 55.08 2k78 n ASN 126 Cb 0.55 -3.73 0.00 0.00 1.23 0.00 0.00 39.78 37.83 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 -1.04 0.94 2.80 8.20 0.00 -1.26 -5.06 105.19 109.77 2k78 n GLY 127 Ca -0.17 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.30 0.28 -0.33 1.61 1.02 -1.10 -5.10 119.74 111.82 2k78 s LYS 128 Ca 0.00 0.17 -0.38 0.00 0.02 0.00 0.00 55.97 55.78 2k78 s LYS 128 Cb 0.00 -0.83 -0.14 0.00 -0.52 0.00 0.00 37.83 36.34 2k78 s LYS 128 CO 0.00 -0.78 1.98 -2.30 -0.92 0.00 0.00 175.35 173.33 2k78 n PRO 129 N 5.33 1.03 -3.76 -1.68 -0.02 -1.26 -2.16 135.00 132.48 2k78 n PRO 129 Ca -0.04 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 2k78 n PRO 129 Cb 0.49 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 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 5.43 3.62 -0.31 6.00 5.36 0.42 -4.94 117.98 133.56 2k78 s PHE 130 Ca 1.05 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 57.65 2k78 s PHE 130 Cb -1.02 -2.03 0.10 0.00 -0.34 0.00 0.00 43.02 39.74 2k78 s PHE 130 CO 0.58 0.68 0.12 0.15 -1.46 0.00 0.00 175.22 175.29 2k78 s LYS 131 N -1.26 0.59 -0.18 10.12 1.02 -1.26 -2.45 119.74 126.32 2k78 s LYS 131 Ca 0.21 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2k78 s LYS 131 Cb -0.13 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 2k78 s LYS 131 CO 0.10 -1.01 -0.08 -0.47 -0.92 0.00 0.00 175.35 172.96 2k78 s TYR 132 N 1.67 2.90 -0.38 3.18 5.04 0.24 -4.95 117.35 125.05 2k78 s TYR 132 Ca 0.10 -0.83 -0.02 0.00 -2.44 0.00 0.00 57.07 53.88 2k78 s TYR 132 Cb -0.17 -1.99 0.20 0.00 0.35 0.00 0.00 41.96 40.34 2k78 s TYR 132 CO -0.26 -0.40 0.94 0.34 -1.34 0.00 0.00 175.55 174.82 2k78 s ASP 133 N 0.98 -0.73 0.00 4.32 2.15 -1.25 0.17 116.67 122.31 2k78 s ASP 133 Ca -0.01 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2k78 s ASP 133 Cb -0.15 0.94 0.00 0.00 -0.30 0.00 0.00 42.92 43.42 2k78 s ASP 133 CO -0.00 -0.05 0.00 1.41 -0.17 0.00 0.00 175.17 176.36 2k78 n HIS 134 N 3.26 -0.36 -4.36 -5.34 8.25 -1.10 -5.02 115.22 110.56 2k78 n HIS 134 Ca 0.11 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 2k78 n HIS 134 Cb 0.61 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.61 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 -4.70 2.43 0.35 4.41 3.76 -1.26 -2.80 115.29 117.48 2k78 s HIS 135 Ca 0.00 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 2k78 s HIS 135 Cb 0.00 -1.25 0.03 0.00 1.11 0.00 0.00 32.58 32.48 2k78 s HIS 135 CO 0.00 0.44 0.61 0.66 -0.85 0.00 0.00 174.74 175.60 2k78 n TYR 136 N 0.49 -1.88 -3.89 1.40 4.01 -0.94 -4.98 117.16 111.37 2k78 n TYR 136 Ca -0.14 -1.90 -0.10 0.00 -0.16 0.00 0.00 57.90 55.60 2k78 n TYR 136 Cb 0.54 0.70 -0.06 0.00 -0.31 0.00 0.00 39.34 40.22 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 -2.94 -0.05 0.30 7.72 2.20 -1.26 -2.25 114.94 118.65 2k78 s ASN 137 Ca 0.20 -0.74 -0.15 0.00 -0.94 0.00 0.00 52.86 51.23 2k78 s ASN 137 Cb -0.03 0.48 0.02 0.00 -2.00 0.00 0.00 41.25 39.72 2k78 s ASN 137 CO 0.14 -0.94 0.64 0.27 -2.94 0.00 0.00 177.10 174.27 2k78 s ILE 138 N -3.93 0.00 0.44 0.54 -4.36 -1.13 -4.51 121.20 108.24 2k78 s ILE 138 Ca 0.14 -1.19 -0.01 0.00 -0.26 0.00 0.00 60.65 59.33 2k78 s ILE 138 Cb 0.02 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 2k78 s ILE 138 CO -0.01 0.00 0.68 -0.89 0.24 0.00 0.00 174.94 174.96 2k78 s THR 139 N -3.50 4.48 -0.22 8.37 2.01 -0.72 -2.85 115.64 123.21 2k78 s THR 139 Ca 0.18 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 2k78 s THR 139 Cb -0.04 -3.67 0.10 0.00 0.01 0.00 0.00 72.50 68.91 2k78 s THR 139 CO 0.10 -0.52 0.24 -0.31 -0.69 0.00 0.00 174.62 173.44 2k78 s TYR 140 N -2.56 -0.30 -0.39 4.92 2.02 -0.92 -3.12 117.35 117.00 2k78 s TYR 140 Ca 0.46 0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 57.18 2k78 s TYR 140 Cb -0.10 -0.38 0.03 0.00 -0.40 0.00 0.00 41.96 41.10 2k78 s TYR 140 CO 0.39 -0.67 0.25 0.15 -1.57 0.00 0.00 175.55 174.11 2k78 s LYS 141 N 2.33 2.87 0.35 -0.62 -0.14 0.31 0.13 119.74 124.98 2k78 s LYS 141 Ca 0.08 -1.07 -0.04 0.00 -1.36 0.00 0.00 55.97 53.57 2k78 s LYS 141 Cb -0.15 -3.84 -0.05 0.00 -1.68 0.00 0.00 37.83 32.11 2k78 s LYS 141 CO -0.16 -0.74 0.62 -0.06 -0.76 0.00 0.00 175.35 174.25 2k78 s PHE 142 N 1.60 3.50 -0.30 3.18 0.08 0.18 -0.05 117.98 126.17 2k78 s PHE 142 Ca 0.03 0.64 -0.03 0.00 0.12 0.00 0.00 56.93 57.69 2k78 s PHE 142 Cb -0.19 -2.12 0.11 0.00 -0.57 0.00 0.00 43.02 40.24 2k78 s PHE 142 CO 0.08 0.05 0.14 -0.80 -0.10 0.00 0.00 175.22 174.58 2k78 s ASN 143 N -3.56 3.52 0.00 1.36 0.01 0.39 -0.17 114.94 116.49 2k78 s ASN 143 Ca 0.44 -1.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 2k78 s ASN 143 Cb -0.10 -0.43 0.00 0.00 0.41 0.00 0.00 41.25 41.13 2k78 s ASN 143 CO 0.34 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 2k78 n GLY 144 N 5.00 3.71 3.79 0.66 0.00 -0.60 -2.66 105.19 115.08 2k78 n GLY 144 Ca -0.03 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2k78 n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k78 s PRO 145 N 2.83 3.33 0.07 1.61 0.04 -1.26 -4.72 135.00 136.89 2k78 s PRO 145 Ca 0.00 1.41 0.18 0.00 0.04 0.00 0.00 61.00 62.64 2k78 s PRO 145 Cb 0.00 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 2k78 s PRO 145 CO 0.00 -0.83 0.80 0.25 0.04 0.00 0.00 177.00 177.26 2k78 n THR 146 N -1.63 0.99 0.00 1.26 -2.24 -1.26 -4.19 114.28 107.20 2k78 n THR 146 Ca 0.10 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2k78 n THR 146 Cb 0.52 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2k78 n THR 146 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k78 n ASP 147 N -2.79 0.00 -3.21 3.42 8.00 -1.26 -4.93 116.55 115.78 2k78 n ASP 147 Ca -0.09 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.18 2k78 n ASP 147 Cb 0.77 0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k78 n VAL 148 N -0.95 -1.85 0.03 2.53 0.31 -1.26 -4.88 118.33 112.26 2k78 n VAL 148 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 2k78 n VAL 148 Cb 0.00 -3.08 -0.14 0.00 -0.91 0.00 0.00 33.84 29.71 2k78 n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k78 h ALA 149 N 1.00 -0.02 -0.01 3.52 0.00 -2.03 -3.50 119.26 118.21 2k78 h ALA 149 Ca -0.51 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2k78 h ALA 149 Cb 1.35 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2k78 h ALA 149 CO 0.57 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.70