#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 3.82 -1.49 7.33 0.00 -1.26 -1.79 121.76 128.37 2k78 s ALA 26 Ca 0.00 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 2k78 s ALA 26 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2k78 s ALA 26 CO 0.00 -0.86 0.12 -1.71 0.00 0.00 0.00 175.76 173.31 2k78 n ASN 27 N 3.58 -5.29 -2.79 0.00 5.15 -1.26 -4.88 115.26 109.77 2k78 n ASN 27 Ca 0.13 -0.07 -0.02 0.00 -0.60 0.00 0.00 54.58 54.02 2k78 n ASN 27 Cb 0.37 -4.31 0.06 0.00 -0.53 0.00 0.00 39.78 35.37 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k78 n ALA 28 N -2.21 2.69 -3.00 5.20 0.00 -0.74 -5.11 120.51 117.35 2k78 n ALA 28 Ca -0.19 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.79 2k78 n ALA 28 Cb 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.69 0.00 -2.17 0.00 0.00 -1.26 -4.82 120.51 111.56 2k78 n ALA 29 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 2k78 n ALA 29 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.01 -5.00 -3.65 0.00 8.00 -1.26 -4.83 116.55 109.80 2k78 n ASP 30 Ca 0.00 0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.56 2k78 n ASP 30 Cb 0.00 -4.26 -0.07 0.00 -0.02 0.00 0.00 41.12 36.76 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 -2.16 -0.81 -0.08 -2.24 1.04 -1.26 0.16 113.70 108.35 2k78 s SER 31 Ca 0.00 1.41 -0.31 0.00 0.48 0.00 0.00 55.95 57.53 2k78 s SER 31 Cb 0.00 1.35 0.11 0.00 0.10 0.00 0.00 66.02 67.57 2k78 s SER 31 CO 0.00 -0.24 1.36 -0.83 0.98 0.00 0.00 173.24 174.52 2k78 s GLY 32 N 1.03 -0.24 -0.55 7.32 0.00 -0.74 -5.00 107.32 109.16 2k78 s GLY 32 Ca -0.05 0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.69 2k78 s GLY 32 CO -0.10 5.63 0.87 -0.51 0.00 0.00 0.00 173.10 178.99 2k78 s THR 33 N -2.02 4.50 0.24 0.90 -4.23 -1.26 -1.03 115.64 112.75 2k78 s THR 33 Ca 0.29 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2k78 s THR 33 Cb 0.01 -4.49 -0.05 0.00 1.34 0.00 0.00 72.50 69.31 2k78 s THR 33 CO -0.03 -1.06 0.48 -0.22 -0.54 0.00 0.00 174.62 173.25 2k78 s LEU 34 N 3.64 4.14 0.34 4.79 0.20 -0.44 -4.91 118.68 126.44 2k78 s LEU 34 Ca 0.26 0.58 -0.26 0.00 0.69 0.00 0.00 54.13 55.41 2k78 s LEU 34 Cb -0.14 -3.37 -0.10 0.00 -0.43 0.00 0.00 46.19 42.15 2k78 s LEU 34 CO 0.17 -0.12 0.97 0.21 -0.29 0.00 0.00 176.35 177.30 2k78 s ASN 35 N -3.10 7.20 0.05 3.68 3.04 -1.07 -2.75 114.94 121.98 2k78 s ASN 35 Ca 0.42 1.89 -0.27 0.00 0.04 0.00 0.00 52.86 54.94 2k78 s ASN 35 Cb -0.11 -2.58 0.09 0.00 -1.54 0.00 0.00 41.25 37.11 2k78 s ASN 35 CO 0.29 -0.17 0.84 -0.72 -3.04 0.00 0.00 177.10 174.30 2k78 s TYR 36 N -1.62 -0.35 0.13 0.43 1.13 -1.26 0.60 117.35 116.40 2k78 s TYR 36 Ca 0.52 0.17 -0.03 0.00 -1.41 0.00 0.00 57.07 56.32 2k78 s TYR 36 Cb -0.20 0.56 0.01 0.00 -1.10 0.00 0.00 41.96 41.24 2k78 s TYR 36 CO 0.25 -0.65 0.23 -1.91 -2.51 0.00 0.00 175.55 170.96 2k78 n GLU 37 N -0.30 0.34 -4.23 -3.49 2.13 0.82 -4.85 120.64 111.05 2k78 n GLU 37 Ca -0.10 -0.87 -0.15 0.00 0.66 0.00 0.00 57.16 56.70 2k78 n GLU 37 Cb 0.62 0.97 -0.09 0.00 0.27 0.00 0.00 31.44 33.21 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 -2.64 0.00 0.01 6.31 -7.23 -1.26 0.76 120.40 116.35 2k78 s VAL 38 Ca 0.08 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 2k78 s VAL 38 Cb -0.01 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.44 2k78 s VAL 38 CO 0.06 0.00 0.23 -0.31 -0.31 0.00 0.00 175.10 174.77 2k78 s TYR 39 N -3.78 -0.06 0.08 2.82 2.02 0.26 -3.68 117.35 115.00 2k78 s TYR 39 Ca 0.39 0.00 -0.31 0.00 -0.37 0.00 0.00 57.07 56.79 2k78 s TYR 39 Cb 0.04 0.02 -0.08 0.00 -0.40 0.00 0.00 41.96 41.55 2k78 s TYR 39 CO 0.20 -0.38 1.50 0.21 -1.57 0.00 0.00 175.55 175.51 2k78 s LYS 40 N -1.70 4.25 0.51 -0.62 2.47 -0.89 -1.77 119.74 122.00 2k78 s LYS 40 Ca -0.12 2.17 -0.21 0.00 -1.56 0.00 0.00 55.97 56.25 2k78 s LYS 40 Cb -0.05 -3.43 -0.08 0.00 -1.46 0.00 0.00 37.83 32.81 2k78 s LYS 40 CO 0.01 -0.59 0.91 0.98 0.16 0.00 0.00 175.35 176.81 2k78 n TYR 41 N 4.86 0.71 -0.73 4.03 9.36 -1.26 -0.67 117.16 133.46 2k78 n TYR 41 Ca 0.14 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.85 2k78 n TYR 41 Cb 0.41 -2.15 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 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 0.05 0.00 -0.39 2.98 5.15 -1.26 -4.93 115.26 116.86 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 0.44 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 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 -2.00 0.00 -1.26 -0.44 -2.24 0.15 -5.07 114.28 103.42 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 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.91 0.73 -3.84 3.42 4.13 -1.26 -4.67 115.26 112.87 2k78 n ASN 44 Ca 0.00 -1.92 -0.18 0.00 1.68 0.00 0.00 54.58 54.15 2k78 n ASN 44 Cb 0.00 -0.16 -0.16 0.00 -1.54 0.00 0.00 39.78 37.92 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2k78 s ASP 45 N -1.08 0.68 0.23 6.41 2.15 -1.26 -4.84 116.67 118.96 2k78 s ASP 45 Ca 0.06 -0.06 -0.32 0.00 0.43 0.00 0.00 52.55 52.66 2k78 s ASP 45 Cb 0.05 -0.31 -0.13 0.00 -0.30 0.00 0.00 42.92 42.24 2k78 s ASP 45 CO 0.01 -0.09 1.59 0.41 -0.17 0.00 0.00 175.17 176.92 2k78 n THR 46 N 4.18 0.48 0.00 1.71 -1.04 -1.24 -2.09 114.28 116.28 2k78 n THR 46 Ca -0.24 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2k78 n THR 46 Cb 0.50 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 2k78 n THR 46 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k78 n SER 47 N 2.97 1.91 0.07 8.00 2.88 -1.26 -4.79 113.62 123.41 2k78 n SER 47 Ca 0.13 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2k78 n SER 47 Cb 0.33 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 -0.75 0.11 0.31 2.46 5.41 -1.26 -4.82 119.36 120.81 2k78 n ILE 48 Ca 0.00 0.04 0.17 0.00 1.00 0.00 0.00 62.75 63.96 2k78 n ILE 48 Cb 0.00 -0.43 0.88 0.00 -0.71 0.00 0.00 39.64 39.38 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 1.37 0.00 -1.39 0.00 -1.96 0.13 119.26 117.40 2k78 h ALA 49 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k78 h ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k78 h ALA 49 CO 0.00 -0.30 0.00 -2.95 0.00 0.00 0.00 179.25 176.00 2k78 h ASN 50 N 0.00 0.00 -0.58 0.00 -1.07 -1.89 -1.69 115.58 110.35 2k78 h ASN 50 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 2k78 h ASN 50 Cb 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 2k78 h ASN 50 CO -0.00 0.00 0.00 0.47 0.07 0.00 0.00 177.43 177.97 2k78 n ASP 51 N -2.74 4.63 0.00 6.14 8.00 0.03 -4.32 116.55 128.30 2k78 n ASP 51 Ca -0.01 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.97 2k78 n ASP 51 Cb 0.13 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 0.85 0.00 -3.87 1.24 4.01 -0.64 -5.01 117.16 113.73 2k78 n TYR 52 Ca 0.24 -0.02 -0.28 0.00 -0.16 0.00 0.00 57.90 57.68 2k78 n TYR 52 Cb 0.89 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.75 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 -0.05 1.72 1.02 -0.72 0.08 -1.18 -2.93 117.98 115.92 2k78 s PHE 53 Ca 0.00 -1.17 -0.15 0.00 0.12 0.00 0.00 56.93 55.74 2k78 s PHE 53 Cb 0.00 -1.31 0.20 0.00 -0.57 0.00 0.00 43.02 41.34 2k78 s PHE 53 CO 0.00 -0.64 1.14 -0.80 -0.10 0.00 0.00 175.22 174.82 2k78 s ASN 54 N 1.63 2.49 0.15 1.36 0.01 -1.25 -4.96 114.94 114.37 2k78 s ASN 54 Ca -0.01 0.84 -0.09 0.00 -0.71 0.00 0.00 52.86 52.90 2k78 s ASN 54 Cb -0.16 -1.29 -0.01 0.00 0.41 0.00 0.00 41.25 40.20 2k78 s ASN 54 CO -0.07 -3.17 0.26 -1.59 -1.51 0.00 0.00 177.10 171.02 2k78 s LYS 55 N -5.30 1.11 0.50 -0.60 -2.85 -1.26 -4.64 119.74 106.70 2k78 s LYS 55 Ca 0.67 -1.16 -0.08 0.00 -1.00 0.00 0.00 55.97 54.40 2k78 s LYS 55 Cb -0.13 0.37 0.12 0.00 -2.06 0.00 0.00 37.83 36.12 2k78 s LYS 55 CO 0.55 -0.40 0.64 -0.35 0.10 0.00 0.00 175.35 175.90 2k78 n PRO 56 N -0.19 -0.83 -3.61 1.78 -0.04 -1.26 -5.16 135.00 125.69 2k78 n PRO 56 Ca -0.08 -1.00 -0.20 0.00 -0.04 0.00 0.00 63.50 62.19 2k78 n PRO 56 Cb 0.63 -0.70 -0.01 0.00 -0.04 0.00 0.00 33.50 33.38 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 -3.86 4.12 -0.40 0.55 0.00 -1.11 -4.95 121.76 116.11 2k78 s ALA 57 Ca 0.37 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 2k78 s ALA 57 Cb -0.01 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.55 2k78 s ALA 57 CO 0.26 0.02 0.27 0.21 0.00 0.00 0.00 175.76 176.52 2k78 s LYS 58 N -4.11 2.90 0.38 0.00 2.47 -1.16 -1.33 119.74 118.89 2k78 s LYS 58 Ca 0.43 -1.08 0.05 0.00 -1.56 0.00 0.00 55.97 53.80 2k78 s LYS 58 Cb -0.09 -3.89 -0.00 0.00 -1.46 0.00 0.00 37.83 32.39 2k78 s LYS 58 CO 0.30 -0.76 0.54 1.52 0.16 0.00 0.00 175.35 177.11 2k78 s TYR 59 N 1.62 3.10 0.10 4.03 1.13 -0.19 -0.09 117.35 127.04 2k78 s TYR 59 Ca 0.04 -0.12 -0.19 0.00 -1.41 0.00 0.00 57.07 55.39 2k78 s TYR 59 Cb -0.20 -2.15 0.05 0.00 -1.10 0.00 0.00 41.96 38.56 2k78 s TYR 59 CO 0.08 -0.18 0.48 -1.50 -2.51 0.00 0.00 175.55 171.92 2k78 s ILE 60 N -2.31 0.04 0.27 -3.49 2.07 -0.84 -1.78 121.20 115.15 2k78 s ILE 60 Ca 0.47 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.39 2k78 s ILE 60 Cb -0.10 -1.05 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 2k78 s ILE 60 CO 0.33 -0.20 0.19 -0.54 -1.91 0.00 0.00 174.94 172.82 2k78 s LYS 61 N -3.23 1.48 -0.46 3.50 1.02 0.41 -0.35 119.74 122.10 2k78 s LYS 61 Ca -0.01 -1.82 0.06 0.00 0.02 0.00 0.00 55.97 54.22 2k78 s LYS 61 Cb 0.00 0.24 0.30 0.00 -0.52 0.00 0.00 37.83 37.86 2k78 s LYS 61 CO -0.08 -0.50 1.05 1.63 -0.92 0.00 0.00 175.35 176.53 2k78 n LYS 62 N -0.45 0.96 -3.12 1.68 5.02 0.02 -4.71 118.16 117.56 2k78 n LYS 62 Ca 0.04 -1.96 -0.15 0.00 -2.02 0.00 0.00 58.31 54.22 2k78 n LYS 62 Cb 0.64 -1.15 0.02 0.00 -0.02 0.00 0.00 35.03 34.52 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 0.64 -6.85 0.00 4.39 5.15 -1.26 -4.07 115.26 113.27 2k78 n ASN 63 Ca 0.08 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 2k78 n ASN 63 Cb 0.68 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.64 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k78 n GLY 64 N 0.27 0.94 3.53 8.20 0.00 -1.26 -5.06 105.19 111.81 2k78 n GLY 64 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.58 0.75 0.06 1.61 -2.85 -1.26 -5.12 119.74 111.36 2k78 s LYS 65 Ca 0.00 -0.11 -0.27 0.00 -1.00 0.00 0.00 55.97 54.59 2k78 s LYS 65 Cb 0.00 0.35 0.07 0.00 -2.06 0.00 0.00 37.83 36.19 2k78 s LYS 65 CO 0.00 -0.29 0.64 -0.48 0.10 0.00 0.00 175.35 175.32 2k78 s LEU 66 N -1.92 -0.61 0.00 2.77 -0.00 -1.26 -0.80 118.68 116.86 2k78 s LEU 66 Ca 0.02 0.32 0.00 0.00 -0.00 0.00 0.00 54.13 54.46 2k78 s LEU 66 Cb -0.01 2.56 0.00 0.00 -0.00 0.00 0.00 46.19 48.75 2k78 s LEU 66 CO -0.04 -0.81 0.00 -1.22 -0.00 0.00 0.00 176.35 174.28 2k78 n TYR 67 N 0.19 -0.05 -3.64 3.48 4.02 0.52 -3.66 117.16 118.02 2k78 n TYR 67 Ca -0.18 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.66 2k78 n TYR 67 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.87 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 -1.62 0.00 -0.15 -0.72 1.01 -0.64 -1.99 120.40 116.29 2k78 s VAL 68 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 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 0.17 0.00 0.00 0.00 0.00 175.10 175.27 2k78 s GLN 69 N 0.63 3.91 -0.09 2.72 -2.07 0.87 0.33 119.66 125.96 2k78 s GLN 69 Ca -0.01 -0.11 0.01 0.00 -1.82 0.00 0.00 55.36 53.43 2k78 s GLN 69 Cb -0.04 -3.33 -0.02 0.00 -1.09 0.00 0.00 33.01 28.53 2k78 s GLN 69 CO -0.11 0.49 -0.12 -1.50 -1.32 0.00 0.00 175.29 172.73 2k78 s ILE 70 N -0.22 3.21 -0.20 3.63 1.10 0.87 -2.99 121.20 126.60 2k78 s ILE 70 Ca 0.13 -0.64 -0.20 0.00 -0.51 0.00 0.00 60.65 59.42 2k78 s ILE 70 Cb -0.12 -2.31 -0.03 0.00 0.15 0.00 0.00 42.46 40.15 2k78 s ILE 70 CO 0.02 0.56 0.61 -0.89 -2.11 0.00 0.00 174.94 173.12 2k78 s THR 71 N -0.19 5.03 -0.07 4.00 2.01 -1.26 -1.68 115.64 123.48 2k78 s THR 71 Ca 0.01 1.15 -0.04 0.00 0.31 0.00 0.00 61.69 63.12 2k78 s THR 71 Cb -0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2k78 s THR 71 CO 0.03 0.12 0.09 0.68 -0.69 0.00 0.00 174.62 174.85 2k78 s VAL 72 N 1.86 4.97 -0.10 3.82 -7.23 0.20 -3.89 120.40 120.04 2k78 s VAL 72 Ca 0.28 -0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 60.27 2k78 s VAL 72 Cb -0.16 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2k78 s VAL 72 CO 0.10 0.53 0.19 0.20 -0.31 0.00 0.00 175.10 175.82 2k78 s ASN 73 N -1.22 6.47 -0.22 4.85 -0.87 -1.15 -2.76 114.94 120.04 2k78 s ASN 73 Ca 0.17 0.57 -0.03 0.00 -1.57 0.00 0.00 52.86 52.00 2k78 s ASN 73 Cb -0.12 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 39.01 2k78 s ASN 73 CO 0.07 0.39 0.07 1.41 -2.57 0.00 0.00 177.10 176.48 2k78 n HIS 74 N 1.94 -2.62 0.06 2.20 8.25 0.28 -4.47 115.22 120.88 2k78 n HIS 74 Ca -0.19 1.15 0.21 0.00 -0.26 0.00 0.00 57.72 58.63 2k78 n HIS 74 Cb 0.54 -2.95 0.73 0.00 1.12 0.00 0.00 29.99 29.43 2k78 n HIS 74 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2k78 h SER 75 N 3.12 0.00 0.43 0.41 4.64 -1.80 -1.81 113.55 118.54 2k78 h SER 75 Ca -0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2k78 h SER 75 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2k78 h SER 75 CO 0.08 0.00 -0.21 -0.74 -0.87 0.00 0.00 176.83 175.09 2k78 h HIS 76 N 0.00 -0.53 0.06 4.77 2.76 -1.89 -3.28 115.15 117.04 2k78 h HIS 76 Ca 0.22 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 2k78 h HIS 76 Cb 1.20 0.18 -0.05 0.00 1.55 0.00 0.00 27.41 30.29 2k78 h HIS 76 CO 0.00 -0.22 -0.52 -1.49 -1.30 0.00 0.00 177.93 174.40 2k78 h TRP 77 N -0.84 -1.50 -3.47 5.26 6.55 -1.53 -3.38 115.95 117.04 2k78 h TRP 77 Ca -0.06 0.04 -0.61 0.00 0.95 0.00 0.00 58.89 59.22 2k78 h TRP 77 Cb 0.56 0.65 -0.11 0.00 -0.86 0.00 0.00 29.16 29.39 2k78 h TRP 77 CO 0.01 -0.58 0.26 -1.50 -1.05 0.00 0.00 178.44 175.58 2k78 s ILE 78 N -5.78 4.89 -0.21 1.49 2.07 -1.17 -3.17 121.20 119.32 2k78 s ILE 78 Ca -0.16 1.08 0.19 0.00 -1.41 0.00 0.00 60.65 60.35 2k78 s ILE 78 Cb 0.07 -4.05 0.01 0.00 0.13 0.00 0.00 42.46 38.62 2k78 s ILE 78 CO 0.61 -0.14 1.13 0.00 -1.91 0.00 0.00 174.94 174.63 2k78 h THR 79 N 5.53 0.35 -1.81 4.00 1.03 -1.56 -3.43 112.91 117.00 2k78 h THR 79 Ca -0.26 -1.59 0.35 0.00 -0.01 0.00 0.00 66.41 64.91 2k78 h THR 79 Cb 1.11 1.94 -0.09 0.00 -1.07 0.00 0.00 68.15 70.04 2k78 h THR 79 CO 0.83 0.20 0.91 -0.83 -0.01 0.00 0.00 175.52 176.62 2k78 s GLY 80 N -4.51 -0.25 0.09 2.99 0.00 -1.07 -4.93 107.32 99.63 2k78 s GLY 80 Ca 0.01 0.32 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 2k78 s GLY 80 CO 0.77 3.75 0.38 1.06 0.00 0.00 0.00 173.10 179.06 2k78 s MET 81 N -2.12 0.98 -0.20 2.90 -1.94 -1.26 -2.48 119.30 115.18 2k78 s MET 81 Ca 0.24 -0.60 -0.19 0.00 -1.71 0.00 0.00 55.69 53.43 2k78 s MET 81 Cb 0.02 0.43 0.05 0.00 2.01 0.00 0.00 34.83 37.34 2k78 s MET 81 CO -0.02 -0.36 0.54 -1.54 -0.01 0.00 0.00 175.02 173.63 2k78 s SER 82 N -2.48 -0.56 -0.01 3.03 1.04 0.45 -3.11 113.70 112.06 2k78 s SER 82 Ca -0.00 1.06 0.03 0.00 0.48 0.00 0.00 55.95 57.52 2k78 s SER 82 Cb 0.01 1.08 -0.01 0.00 0.10 0.00 0.00 66.02 67.20 2k78 s SER 82 CO -0.08 -0.21 -0.09 -0.63 0.98 0.00 0.00 173.24 173.21 2k78 s ILE 83 N 0.21 0.72 0.00 -1.02 1.01 -1.06 0.17 121.20 121.23 2k78 s ILE 83 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2k78 s ILE 83 Cb -0.04 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2k78 s ILE 83 CO 0.01 0.21 0.00 1.21 0.00 0.00 0.00 174.94 176.37 2k78 n GLU 84 N 2.92 -0.17 0.00 2.79 2.13 -1.17 -2.93 120.64 124.21 2k78 n GLU 84 Ca -0.14 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2k78 n GLU 84 Cb 0.56 -3.52 0.00 0.00 0.27 0.00 0.00 31.44 28.75 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 -1.84 1.34 3.13 8.31 0.00 -1.26 -5.10 105.19 109.77 2k78 n GLY 85 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.70 0.57 1.61 -3.43 -1.15 -5.16 115.29 106.43 2k78 s HIS 86 Ca 0.00 -0.97 -0.10 0.00 -0.80 0.00 0.00 55.06 53.19 2k78 s HIS 86 Cb 0.00 -0.45 0.14 0.00 -1.43 0.00 0.00 32.58 30.84 2k78 s HIS 86 CO 0.00 -0.26 0.51 1.63 -2.00 0.00 0.00 174.74 174.62 2k78 n LYS 87 N 0.09 -1.96 -3.78 -0.38 4.01 -1.26 -2.56 118.16 112.32 2k78 n LYS 87 Ca -0.13 -0.82 -0.22 0.00 -0.51 0.00 0.00 58.31 56.63 2k78 n LYS 87 Cb 0.61 -0.76 -0.05 0.00 -0.51 0.00 0.00 35.03 34.33 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 -4.16 2.46 -0.17 1.97 -1.05 -1.18 -4.61 118.70 111.96 2k78 s GLU 88 Ca 0.33 -1.59 -0.03 0.00 -0.15 0.00 0.00 54.97 53.52 2k78 s GLU 88 Cb -0.03 -2.27 -0.02 0.00 -0.44 0.00 0.00 34.13 31.37 2k78 s GLU 88 CO 0.25 -0.12 -0.05 -0.80 0.95 0.00 0.00 175.26 175.50 2k78 s ASN 89 N -4.03 4.58 -0.50 0.83 -0.87 -1.12 -4.91 114.94 108.91 2k78 s ASN 89 Ca 0.45 -0.22 -0.27 0.00 -1.57 0.00 0.00 52.86 51.25 2k78 s ASN 89 Cb -0.02 -1.75 -0.03 0.00 -0.02 0.00 0.00 41.25 39.43 2k78 s ASN 89 CO 0.26 0.12 1.97 0.27 -2.57 0.00 0.00 177.10 177.15 2k78 s ILE 90 N 0.63 3.30 -0.14 0.60 -5.25 -1.26 -2.27 121.20 116.82 2k78 s ILE 90 Ca -0.03 0.23 0.13 0.00 -0.99 0.00 0.00 60.65 59.99 2k78 s ILE 90 Cb -0.15 -3.65 -0.24 0.00 2.95 0.00 0.00 42.46 41.38 2k78 s ILE 90 CO 0.02 -0.57 0.29 0.00 -1.79 0.00 0.00 174.94 172.89 2k78 n ILE 91 N 7.44 1.51 -3.15 8.37 3.06 -1.06 -4.91 119.36 130.62 2k78 n ILE 91 Ca 0.25 -0.80 0.05 0.00 -2.50 0.00 0.00 62.75 59.74 2k78 n ILE 91 Cb 0.51 -0.84 -0.00 0.00 0.54 0.00 0.00 39.64 39.85 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 -5.90 -1.04 0.11 9.51 0.01 -1.24 -4.98 113.70 110.17 2k78 s SER 92 Ca -0.11 0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 2k78 s SER 92 Cb 0.07 1.67 -0.05 0.00 0.21 0.00 0.00 66.02 67.91 2k78 s SER 92 CO 0.80 -0.19 0.34 -0.75 0.41 0.00 0.00 173.24 173.86 2k78 s LYS 93 N 2.89 3.60 -0.30 12.44 2.20 -1.26 -1.58 119.74 137.73 2k78 s LYS 93 Ca 0.18 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.67 2k78 s LYS 93 Cb -0.06 -2.92 0.12 0.00 -1.51 0.00 0.00 37.83 33.46 2k78 s LYS 93 CO -0.24 0.52 0.22 1.21 -0.36 0.00 0.00 175.35 176.70 2k78 s ASN 94 N -2.28 2.61 0.16 1.43 3.04 -0.48 -4.93 114.94 114.48 2k78 s ASN 94 Ca 0.38 -1.24 0.03 0.00 0.04 0.00 0.00 52.86 52.06 2k78 s ASN 94 Cb -0.13 0.03 -0.03 0.00 -1.54 0.00 0.00 41.25 39.58 2k78 s ASN 94 CO 0.23 -0.39 1.36 0.74 -3.04 0.00 0.00 177.10 176.00 2k78 h THR 95 N 6.06 1.52 -0.56 -5.21 2.02 -1.96 0.17 112.91 114.95 2k78 h THR 95 Ca -0.12 -2.71 -0.03 0.00 0.77 0.00 0.00 66.41 64.32 2k78 h THR 95 Cb 1.03 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.94 2k78 h THR 95 CO 0.36 0.79 0.24 0.00 0.37 0.00 0.00 175.52 177.28 2k78 h ALA 96 N 0.96 0.73 -0.35 6.16 0.00 -1.95 -2.52 119.26 122.29 2k78 h ALA 96 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k78 h ALA 96 Cb 1.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k78 h ALA 96 CO 0.14 0.32 0.00 1.17 0.00 0.00 0.00 179.25 180.88 2k78 n LYS 97 N -4.52 2.23 -3.53 0.00 4.81 -1.23 -4.96 118.16 110.96 2k78 n LYS 97 Ca 0.03 -1.87 -0.23 0.00 -0.87 0.00 0.00 58.31 55.37 2k78 n LYS 97 Cb 0.15 -1.46 0.05 0.00 0.02 0.00 0.00 35.03 33.78 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k78 n ASP 98 N 1.07 -4.51 -2.53 3.14 9.92 -0.46 -4.80 116.55 118.37 2k78 n ASP 98 Ca 0.18 -0.85 -0.11 0.00 -0.53 0.00 0.00 54.79 53.48 2k78 n ASP 98 Cb 0.50 -4.24 -0.03 0.00 -0.64 0.00 0.00 41.12 36.71 2k78 n ASP 98 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k78 n GLU 99 N -3.89 0.53 0.00 -1.24 1.02 0.48 -0.56 120.64 116.98 2k78 n GLU 99 Ca -0.15 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 54.84 2k78 n GLU 99 Cb 0.63 2.06 0.00 0.00 -0.02 0.00 0.00 31.44 34.10 2k78 n GLU 99 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2k78 n ARG 100 N -0.44 0.00 -4.10 3.49 0.63 -1.11 -1.38 116.66 113.74 2k78 n ARG 100 Ca 0.01 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.84 2k78 n ARG 100 Cb 0.45 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.25 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 0.48 -0.04 5.15 2.01 -0.62 0.62 115.64 121.25 2k78 s THR 101 Ca 0.00 -1.56 -0.06 0.00 0.31 0.00 0.00 61.69 60.38 2k78 s THR 101 Cb 0.00 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.33 2k78 s THR 101 CO 0.00 -0.73 0.14 -0.94 -0.69 0.00 0.00 174.62 172.40 2k78 s SER 102 N -2.44 -0.09 0.19 3.53 1.04 -0.68 -2.56 113.70 112.69 2k78 s SER 102 Ca 0.02 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.51 2k78 s SER 102 Cb 0.00 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 2k78 s SER 102 CO -0.04 -0.15 0.47 -0.70 0.98 0.00 0.00 173.24 173.80 2k78 s GLU 103 N -0.38 3.72 0.12 4.02 2.12 -0.96 -0.09 118.70 127.24 2k78 s GLU 103 Ca -0.05 0.11 0.06 0.00 0.36 0.00 0.00 54.97 55.45 2k78 s GLU 103 Cb -0.03 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2k78 s GLU 103 CO 0.01 0.38 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.91 2k78 s PHE 104 N -1.76 1.37 -0.13 5.30 0.08 0.15 -2.80 117.98 120.19 2k78 s PHE 104 Ca 0.45 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.96 2k78 s PHE 104 Cb -0.12 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2k78 s PHE 104 CO 0.23 0.13 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.28 2k78 s GLU 105 N -2.63 3.12 0.00 0.44 2.12 -1.26 -1.61 118.70 118.87 2k78 s GLU 105 Ca 0.08 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2k78 s GLU 105 Cb -0.05 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2k78 s GLU 105 CO 0.03 0.08 0.00 1.33 -0.54 0.00 0.00 175.26 176.16 2k78 n VAL 106 N 3.82 0.00 -3.39 3.70 0.24 -1.24 -4.78 118.33 116.67 2k78 n VAL 106 Ca -0.19 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 2k78 n VAL 106 Cb 0.52 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.80 2k78 n VAL 106 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2k78 s SER 107 N 0.10 6.16 0.37 -1.34 0.15 -1.26 -4.60 113.70 113.27 2k78 s SER 107 Ca 0.00 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2k78 s SER 107 Cb 0.00 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2k78 s SER 107 CO 0.00 -0.46 0.00 0.29 1.20 0.00 0.00 173.24 174.27 2k78 n LYS 108 N 5.40 0.00 -2.94 5.44 4.76 -1.26 -4.67 118.16 124.88 2k78 n LYS 108 Ca -0.09 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.21 2k78 n LYS 108 Cb 0.48 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.70 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 -1.09 -3.06 -0.35 -0.00 -1.26 -4.98 117.00 106.26 2k78 n LEU 109 Ca 0.00 -4.19 -0.19 0.00 -0.00 0.00 0.00 56.01 51.62 2k78 n LEU 109 Cb 0.00 0.82 -0.03 0.00 -0.00 0.00 0.00 43.42 44.20 2k78 n LEU 109 CO 0.00 2.14 -0.15 -3.20 -0.00 0.00 0.00 177.39 176.18 2k78 n ASN 110 N 0.66 -0.80 0.00 1.45 2.85 -1.20 -0.86 115.26 117.36 2k78 n ASN 110 Ca 0.15 -2.86 0.00 0.00 -0.11 0.00 0.00 54.58 51.75 2k78 n ASN 110 Cb 0.66 0.12 0.00 0.00 1.24 0.00 0.00 39.78 41.79 2k78 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k78 n GLY 111 N 1.55 -0.43 3.53 8.20 0.00 0.18 -4.93 105.19 113.30 2k78 n GLY 111 Ca 0.18 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2k78 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k78 s LYS 112 N 0.00 0.72 0.05 1.61 2.36 -1.26 -1.68 119.74 121.54 2k78 s LYS 112 Ca 0.00 0.88 0.03 0.00 -2.55 0.00 0.00 55.97 54.33 2k78 s LYS 112 Cb 0.00 0.34 -0.02 0.00 -1.05 0.00 0.00 37.83 37.09 2k78 s LYS 112 CO 0.00 -0.09 -0.09 0.42 1.55 0.00 0.00 175.35 177.14 2k78 s ILE 113 N 0.41 0.62 -0.11 5.43 1.01 -1.04 -4.94 121.20 122.58 2k78 s ILE 113 Ca -0.01 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 2k78 s ILE 113 Cb -0.04 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 2k78 s ILE 113 CO -0.00 -0.35 1.17 -1.81 0.00 0.00 0.00 174.94 173.95 2k78 s ASP 114 N -1.58 7.05 0.41 3.58 1.01 -1.26 -1.37 116.67 124.52 2k78 s ASP 114 Ca -0.09 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.86 2k78 s ASP 114 Cb -0.10 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2k78 s ASP 114 CO 0.01 -0.62 0.01 0.61 0.21 0.00 0.00 175.17 175.38 2k78 n GLY 115 N 3.39 3.68 3.17 0.21 0.00 -0.85 -3.07 105.19 111.71 2k78 n GLY 115 Ca 0.12 -2.34 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.47 0.75 -0.17 1.61 1.02 0.44 -3.02 119.74 116.91 2k78 s LYS 116 Ca 0.00 -0.95 -0.24 0.00 0.02 0.00 0.00 55.97 54.80 2k78 s LYS 116 Cb -0.00 0.30 0.06 0.00 -0.52 0.00 0.00 37.83 37.67 2k78 s LYS 116 CO 0.00 -0.21 0.63 -1.50 -0.92 0.00 0.00 175.35 173.35 2k78 s ILE 117 N -3.59 0.00 0.16 2.17 -1.16 0.15 0.17 121.20 119.10 2k78 s ILE 117 Ca 0.03 -0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.18 2k78 s ILE 117 Cb 0.04 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 42.18 2k78 s ILE 117 CO -0.09 -0.02 0.19 -1.81 -2.81 0.00 0.00 174.94 170.40 2k78 s ASP 118 N -0.23 5.82 0.05 4.50 1.11 -1.04 -1.32 116.67 125.57 2k78 s ASP 118 Ca -0.04 -0.02 0.05 0.00 0.18 0.00 0.00 52.55 52.72 2k78 s ASP 118 Cb -0.03 -1.61 -0.02 0.00 1.07 0.00 0.00 42.92 42.32 2k78 s ASP 118 CO 0.04 0.06 -0.15 -0.69 1.18 0.00 0.00 175.17 175.61 2k78 s VAL 119 N -1.75 1.15 -0.24 -1.27 1.01 -1.00 -2.01 120.40 116.29 2k78 s VAL 119 Ca 0.32 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2k78 s VAL 119 Cb -0.10 -1.06 0.13 0.00 0.00 0.00 0.00 36.38 35.35 2k78 s VAL 119 CO 0.25 -0.04 0.38 -0.47 0.00 0.00 0.00 175.10 175.22 2k78 s TYR 120 N -0.96 -0.84 0.03 5.22 6.14 -1.19 -2.71 117.35 123.04 2k78 s TYR 120 Ca 0.01 0.89 -0.00 0.00 0.64 0.00 0.00 57.07 58.61 2k78 s TYR 120 Cb -0.08 0.05 -0.03 0.00 0.42 0.00 0.00 41.96 42.32 2k78 s TYR 120 CO 0.02 -0.71 -0.03 0.42 0.64 0.00 0.00 175.55 175.88 2k78 s ILE 121 N 2.56 0.16 -0.35 3.14 1.01 0.24 -4.38 121.20 123.58 2k78 s ILE 121 Ca 0.12 -1.25 0.07 0.00 0.00 0.00 0.00 60.65 59.59 2k78 s ILE 121 Cb -0.15 -0.73 0.19 0.00 0.01 0.00 0.00 42.46 41.77 2k78 s ILE 121 CO -0.16 -0.68 0.59 1.51 0.00 0.00 0.00 174.94 176.20 2k78 s ASP 122 N -2.00 -1.35 0.00 3.58 1.47 -1.26 0.11 116.67 117.22 2k78 s ASP 122 Ca -0.07 -0.36 0.00 0.00 1.18 0.00 0.00 52.55 53.30 2k78 s ASP 122 Cb -0.03 1.89 0.00 0.00 -0.34 0.00 0.00 42.92 44.43 2k78 s ASP 122 CO -0.04 -0.24 0.00 -1.84 0.68 0.00 0.00 175.17 173.72 2k78 n GLU 123 N 4.92 0.00 -3.91 2.11 0.28 -1.17 -5.01 120.64 117.86 2k78 n GLU 123 Ca 0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.73 2k78 n GLU 123 Cb 0.55 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.28 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 -0.42 2.89 -0.85 3.44 1.02 -1.26 -0.68 119.74 123.88 2k78 s LYS 124 Ca 0.00 -0.95 -0.25 0.00 0.02 0.00 0.00 55.97 54.79 2k78 s LYS 124 Cb 0.00 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2k78 s LYS 124 CO 0.00 -0.41 1.55 0.08 -0.92 0.00 0.00 175.35 175.65 2k78 s VAL 125 N 1.36 3.69 -1.41 3.17 1.01 0.41 -3.80 120.40 124.83 2k78 s VAL 125 Ca 0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2k78 s VAL 125 Cb -0.17 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.57 2k78 s VAL 125 CO -0.03 -1.58 1.07 0.59 0.00 0.00 0.00 175.10 175.15 2k78 n ASN 126 N 10.54 -6.24 -0.10 3.32 5.03 -1.26 -2.83 115.26 123.73 2k78 n ASN 126 Ca 0.23 -0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.17 2k78 n ASN 126 Cb 0.50 -4.93 0.00 0.00 -1.02 0.00 0.00 39.78 34.33 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 -1.91 1.17 2.64 7.41 0.00 -1.25 -5.06 105.19 108.20 2k78 n GLY 127 Ca -0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.13 0.58 0.25 1.61 1.02 -1.13 -5.08 119.74 114.86 2k78 s LYS 128 Ca 0.00 -1.01 -0.31 0.00 0.02 0.00 0.00 55.97 54.66 2k78 s LYS 128 Cb 0.00 -0.95 -0.13 0.00 -0.52 0.00 0.00 37.83 36.23 2k78 s LYS 128 CO 0.00 -1.19 1.54 -2.30 -0.92 0.00 0.00 175.35 172.48 2k78 n PRO 129 N 4.22 2.39 -3.66 -1.68 -0.02 -1.26 -0.45 135.00 134.55 2k78 n PRO 129 Ca 0.11 0.85 -0.10 0.00 -2.02 0.00 0.00 63.50 62.35 2k78 n PRO 129 Cb 0.42 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 2k78 n PRO 129 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2k78 s PHE 130 N 0.23 -0.86 -0.52 6.00 -0.71 0.15 -4.90 117.98 117.37 2k78 s PHE 130 Ca 0.69 1.82 -0.13 0.00 -1.04 0.00 0.00 56.93 58.27 2k78 s PHE 130 Cb -0.58 0.45 0.13 0.00 -1.21 0.00 0.00 43.02 41.81 2k78 s PHE 130 CO 0.46 -0.43 0.43 0.15 -1.34 0.00 0.00 175.22 174.49 2k78 s LYS 131 N 1.23 2.76 -0.11 1.99 1.02 -1.26 -3.03 119.74 122.34 2k78 s LYS 131 Ca -0.07 -1.76 -0.20 0.00 0.02 0.00 0.00 55.97 53.96 2k78 s LYS 131 Cb -0.06 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 2k78 s LYS 131 CO -0.13 -1.27 0.54 -0.47 -0.92 0.00 0.00 175.35 173.10 2k78 s TYR 132 N 1.45 3.52 -0.39 3.18 5.04 0.12 -4.92 117.35 125.34 2k78 s TYR 132 Ca 0.05 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 55.62 2k78 s TYR 132 Cb -0.28 -2.63 0.20 0.00 0.35 0.00 0.00 41.96 39.61 2k78 s TYR 132 CO 0.01 0.13 0.95 0.34 -1.34 0.00 0.00 175.55 175.63 2k78 s ASP 133 N 0.71 -0.71 0.00 4.32 2.15 -1.26 0.81 116.67 122.70 2k78 s ASP 133 Ca 0.29 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.60 2k78 s ASP 133 Cb -0.16 0.92 0.00 0.00 -0.30 0.00 0.00 42.92 43.38 2k78 s ASP 133 CO 0.12 -0.04 0.00 1.57 -0.17 0.00 0.00 175.17 176.65 2k78 n HIS 134 N 3.15 -0.42 -4.36 -5.34 -0.00 -1.10 -5.02 115.22 102.13 2k78 n HIS 134 Ca 0.11 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.01 2k78 n HIS 134 Cb 0.62 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.37 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 -5.08 2.41 0.38 1.57 -3.43 -1.26 -2.36 115.29 107.52 2k78 s HIS 135 Ca 0.00 -0.32 -0.10 0.00 -0.80 0.00 0.00 55.06 53.84 2k78 s HIS 135 Cb 0.00 -1.25 0.04 0.00 -1.43 0.00 0.00 32.58 29.94 2k78 s HIS 135 CO 0.00 0.42 0.68 0.71 -2.00 0.00 0.00 174.74 174.55 2k78 s TYR 136 N -1.33 0.54 0.24 0.38 2.02 -0.43 -4.96 117.35 113.81 2k78 s TYR 136 Ca 0.18 -1.06 -0.13 0.00 -0.37 0.00 0.00 57.07 55.69 2k78 s TYR 136 Cb -0.09 0.48 -0.00 0.00 -0.40 0.00 0.00 41.96 41.95 2k78 s TYR 136 CO 0.09 -1.44 0.48 0.54 -1.57 0.00 0.00 175.55 173.65 2k78 s ASN 137 N -3.16 -0.10 0.16 2.29 6.03 -1.26 -0.68 114.94 118.22 2k78 s ASN 137 Ca 0.22 -0.89 -0.19 0.00 -1.03 0.00 0.00 52.86 50.97 2k78 s ASN 137 Cb -0.03 0.59 0.04 0.00 -3.03 0.00 0.00 41.25 38.82 2k78 s ASN 137 CO 0.16 -1.14 0.51 0.27 -2.03 0.00 0.00 177.10 174.88 2k78 s ILE 138 N -4.00 0.03 -0.18 0.54 -4.36 -1.17 -4.56 121.20 107.51 2k78 s ILE 138 Ca 0.21 -0.44 -0.18 0.00 -0.26 0.00 0.00 60.65 59.97 2k78 s ILE 138 Cb -0.01 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 2k78 s ILE 138 CO 0.08 -0.14 0.50 -0.89 0.24 0.00 0.00 174.94 174.73 2k78 s THR 139 N -3.81 5.13 0.51 8.37 2.01 -0.73 -2.01 115.64 125.11 2k78 s THR 139 Ca 0.04 0.95 -0.02 0.00 0.31 0.00 0.00 61.69 62.97 2k78 s THR 139 Cb -0.00 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2k78 s THR 139 CO -0.09 0.22 0.76 -0.31 -0.69 0.00 0.00 174.62 174.51 2k78 s TYR 140 N 1.34 3.21 -0.27 4.92 1.51 -0.47 -0.58 117.35 127.02 2k78 s TYR 140 Ca 0.24 0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 56.66 2k78 s TYR 140 Cb -0.15 -2.50 0.13 0.00 -0.11 0.00 0.00 41.96 39.32 2k78 s TYR 140 CO 0.10 -0.57 0.31 0.21 -1.11 0.00 0.00 175.55 174.49 2k78 s LYS 141 N -4.73 0.31 0.04 -0.62 2.36 0.23 -2.49 119.74 114.84 2k78 s LYS 141 Ca 0.51 0.05 -0.15 0.00 -2.55 0.00 0.00 55.97 53.83 2k78 s LYS 141 Cb -0.10 -0.69 -0.06 0.00 -1.05 0.00 0.00 37.83 35.93 2k78 s LYS 141 CO 0.41 -0.91 0.45 -0.06 1.55 0.00 0.00 175.35 176.79 2k78 s PHE 142 N 2.40 3.71 -0.32 4.03 0.08 -0.68 -0.13 117.98 127.07 2k78 s PHE 142 Ca 0.09 1.02 -0.01 0.00 0.12 0.00 0.00 56.93 58.15 2k78 s PHE 142 Cb -0.14 -2.31 0.11 0.00 -0.57 0.00 0.00 43.02 40.10 2k78 s PHE 142 CO -0.26 0.59 0.12 -0.80 -0.10 0.00 0.00 175.22 174.77 2k78 s ASN 143 N -1.26 3.88 0.00 1.36 0.01 0.20 0.50 114.94 119.63 2k78 s ASN 143 Ca 0.28 -1.73 0.00 0.00 -0.71 0.00 0.00 52.86 50.70 2k78 s ASN 143 Cb -0.17 -0.80 0.00 0.00 0.41 0.00 0.00 41.25 40.70 2k78 s ASN 143 CO 0.16 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 2k78 n GLY 144 N 4.72 3.36 1.34 0.66 0.00 -0.04 -2.61 105.19 112.62 2k78 n GLY 144 Ca -0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.77 0.00 1.61 -0.04 -1.26 -4.70 135.00 127.84 2k78 n PRO 145 Ca 0.00 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 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 -3.94 0.00 0.00 0.52 -2.24 -1.26 -4.24 114.28 103.12 2k78 n THR 146 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2k78 n THR 146 Cb 0.24 -0.07 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 -0.67 -0.57 0.00 0.00 175.07 173.83 2k78 n ASP 147 N -1.77 0.00 -2.37 3.42 -0.08 -1.26 -4.98 116.55 109.51 2k78 n ASP 147 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 2k78 n ASP 147 Cb 0.00 0.06 -0.01 0.00 2.34 0.00 0.00 41.12 43.51 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2k78 n VAL 148 N -2.42 -0.75 -2.02 5.18 0.31 -1.26 -4.73 118.33 112.65 2k78 n VAL 148 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2k78 n VAL 148 Cb 0.00 -2.35 -0.03 0.00 -0.91 0.00 0.00 33.84 30.55 2k78 n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k78 n ALA 149 N -1.94 2.78 -0.37 3.52 0.00 -1.26 -5.28 120.51 117.95 2k78 n ALA 149 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2k78 n ALA 149 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91