#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 3.61 -1.86 -0.43 0.00 -1.26 -4.03 121.76 117.80 2k78 s ALA 26 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k78 s ALA 26 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2k78 s ALA 26 CO 0.00 0.21 0.00 -1.71 0.00 0.00 0.00 175.76 174.26 2k78 n ASN 27 N 3.01 -5.26 -4.87 0.00 2.85 -1.26 -4.97 115.26 104.75 2k78 n ASN 27 Ca -0.12 0.33 -0.21 0.00 -0.11 0.00 0.00 54.58 54.47 2k78 n ASN 27 Cb 0.52 -4.37 -0.03 0.00 1.24 0.00 0.00 39.78 37.14 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 -2.75 3.79 0.07 5.20 0.00 -1.26 -5.12 121.76 121.69 2k78 s ALA 28 Ca 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 2k78 s ALA 28 Cb 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.78 2k78 s ALA 28 CO 0.00 0.14 0.24 0.00 0.00 0.00 0.00 175.76 176.14 2k78 n ALA 29 N -1.33 -0.60 -1.90 0.00 0.00 -1.26 -4.94 120.51 110.48 2k78 n ALA 29 Ca -0.05 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 2k78 n ALA 29 Cb 0.58 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.89 -4.29 -3.59 0.00 8.00 -1.26 -4.90 116.55 109.62 2k78 n ASP 30 Ca -0.01 0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.59 2k78 n ASP 30 Cb 0.15 -3.77 -0.07 0.00 -0.02 0.00 0.00 41.12 37.41 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 -2.17 -0.65 -0.09 -2.24 1.04 -1.26 -0.39 113.70 107.93 2k78 s SER 31 Ca 0.00 0.94 -0.31 0.00 0.48 0.00 0.00 55.95 57.05 2k78 s SER 31 Cb 0.00 0.86 0.12 0.00 0.10 0.00 0.00 66.02 67.10 2k78 s SER 31 CO 0.00 -0.45 1.39 -0.83 0.98 0.00 0.00 173.24 174.33 2k78 s GLY 32 N -0.58 -0.31 -0.35 7.32 0.00 -0.34 -4.97 107.32 108.09 2k78 s GLY 32 Ca -0.07 0.42 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 2k78 s GLY 32 CO 0.06 4.73 0.73 -0.51 0.00 0.00 0.00 173.10 178.11 2k78 s THR 33 N -2.01 4.80 0.12 0.90 -4.23 -1.26 0.83 115.64 114.79 2k78 s THR 33 Ca 0.27 0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 61.52 2k78 s THR 33 Cb 0.03 -4.15 -0.06 0.00 1.34 0.00 0.00 72.50 69.66 2k78 s THR 33 CO -0.04 -0.37 0.39 -0.22 -0.54 0.00 0.00 174.62 173.85 2k78 s LEU 34 N 2.94 4.29 0.22 4.79 0.20 0.30 -4.85 118.68 126.57 2k78 s LEU 34 Ca 0.29 0.68 -0.29 0.00 0.69 0.00 0.00 54.13 55.49 2k78 s LEU 34 Cb -0.14 -3.21 -0.09 0.00 -0.43 0.00 0.00 46.19 42.32 2k78 s LEU 34 CO 0.16 0.09 0.92 0.21 -0.29 0.00 0.00 176.35 177.43 2k78 s ASN 35 N -2.19 7.60 0.18 3.68 2.47 -1.03 -2.30 114.94 123.35 2k78 s ASN 35 Ca 0.38 1.90 -0.23 0.00 0.42 0.00 0.00 52.86 55.33 2k78 s ASN 35 Cb -0.13 -2.59 0.07 0.00 -1.45 0.00 0.00 41.25 37.15 2k78 s ASN 35 CO 0.22 0.16 0.99 -0.72 -3.72 0.00 0.00 177.10 174.03 2k78 s TYR 36 N -1.13 -0.03 0.00 0.43 1.13 -1.26 0.11 117.35 116.60 2k78 s TYR 36 Ca 0.40 -0.34 0.00 0.00 -1.41 0.00 0.00 57.07 55.73 2k78 s TYR 36 Cb -0.25 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.28 2k78 s TYR 36 CO 0.31 -0.90 0.00 -1.91 -2.51 0.00 0.00 175.55 170.54 2k78 n GLU 37 N -0.57 0.00 -4.14 -3.49 2.13 -0.97 -4.90 120.64 108.69 2k78 n GLU 37 Ca -0.05 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.68 2k78 n GLU 37 Cb 0.60 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 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 -2.69 0.12 -0.02 6.31 -7.23 -1.26 -2.98 120.40 112.65 2k78 s VAL 38 Ca 0.00 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 2k78 s VAL 38 Cb 0.00 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2k78 s VAL 38 CO 0.00 -0.53 0.25 -0.31 -0.31 0.00 0.00 175.10 174.20 2k78 s TYR 39 N -4.03 -0.14 0.10 2.82 2.02 -1.26 -3.58 117.35 113.29 2k78 s TYR 39 Ca 0.22 0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.84 2k78 s TYR 39 Cb 0.07 0.06 -0.08 0.00 -0.40 0.00 0.00 41.96 41.61 2k78 s TYR 39 CO 0.00 -0.32 1.47 0.21 -1.57 0.00 0.00 175.55 175.34 2k78 s LYS 40 N -1.09 4.27 0.50 -0.62 2.47 -0.40 -1.95 119.74 122.92 2k78 s LYS 40 Ca -0.12 2.15 -0.21 0.00 -1.56 0.00 0.00 55.97 56.23 2k78 s LYS 40 Cb -0.05 -3.34 -0.09 0.00 -1.46 0.00 0.00 37.83 32.89 2k78 s LYS 40 CO 0.03 -0.54 0.89 0.98 0.16 0.00 0.00 175.35 176.87 2k78 n TYR 41 N 4.46 0.68 -0.83 4.03 9.36 -1.26 -0.91 117.16 132.69 2k78 n TYR 41 Ca 0.13 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.85 2k78 n TYR 41 Cb 0.42 -2.14 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 0.17 -0.65 -0.28 2.98 5.15 -1.26 -4.93 115.26 116.44 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 0.43 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 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 -2.09 0.00 -0.85 -0.44 -2.24 -0.09 -5.07 114.28 103.49 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 0.03 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.27 2k78 n THR 43 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k78 n ASN 44 N -0.56 0.74 -3.93 3.42 6.94 -1.26 -4.73 115.26 115.89 2k78 n ASN 44 Ca 0.00 -1.57 -0.16 0.00 -0.02 0.00 0.00 54.58 52.83 2k78 n ASN 44 Cb 0.00 -0.06 -0.15 0.00 -2.36 0.00 0.00 39.78 37.21 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2k78 s ASP 45 N -0.63 0.56 0.24 0.53 -1.08 -1.26 -4.86 116.67 110.17 2k78 s ASP 45 Ca 0.02 -0.08 -0.30 0.00 -0.52 0.00 0.00 52.55 51.67 2k78 s ASP 45 Cb 0.02 -0.12 -0.10 0.00 -1.46 0.00 0.00 42.92 41.26 2k78 s ASP 45 CO 0.00 0.02 1.49 -0.89 0.52 0.00 0.00 175.17 176.32 2k78 s THR 46 N 0.14 2.54 0.00 1.71 2.01 -1.23 -1.27 115.64 119.53 2k78 s THR 46 Ca -0.01 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2k78 s THR 46 Cb -0.05 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2k78 s THR 46 CO -0.00 0.06 0.00 -0.24 -0.69 0.00 0.00 174.62 173.75 2k78 n SER 47 N 2.57 1.89 0.01 3.53 2.88 -1.26 -4.78 113.62 118.46 2k78 n SER 47 Ca 0.08 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2k78 n SER 47 Cb 0.39 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 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 -0.71 0.01 1.90 2.46 5.41 -1.26 -4.83 119.36 122.35 2k78 n ILE 48 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.82 2k78 n ILE 48 Cb 0.00 -0.63 0.42 0.00 -0.71 0.00 0.00 39.64 38.72 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k78 n ALA 49 N -2.64 2.53 0.14 -1.39 0.00 -1.26 -3.60 120.51 114.29 2k78 n ALA 49 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2k78 n ALA 49 Cb 0.06 -1.23 0.16 0.00 0.00 0.00 0.00 19.45 18.44 2k78 n ALA 49 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k78 h ASN 50 N 0.00 0.00 -0.69 0.00 -1.07 -1.89 -2.96 115.58 108.97 2k78 h ASN 50 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k78 h ASN 50 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k78 h ASN 50 CO 0.00 0.62 0.00 0.47 0.07 0.00 0.00 177.43 178.59 2k78 n ASP 51 N -3.69 4.33 -0.00 6.14 8.00 -1.24 -4.22 116.55 125.87 2k78 n ASP 51 Ca -0.01 -2.23 0.01 0.00 0.71 0.00 0.00 54.79 53.27 2k78 n ASP 51 Cb 0.64 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.38 0.00 -3.55 1.24 4.01 -1.16 -4.95 117.16 114.12 2k78 n TYR 52 Ca 0.25 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.59 2k78 n TYR 52 Cb 0.75 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.98 3.22 0.63 -0.72 0.40 -1.13 -2.94 117.98 115.46 2k78 s PHE 53 Ca -0.00 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 2k78 s PHE 53 Cb 0.01 -2.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 2k78 s PHE 53 CO 0.06 -0.45 1.08 1.21 0.70 0.00 0.00 175.22 177.81 2k78 s ASN 54 N 1.67 5.43 0.09 1.36 3.84 -1.20 -4.97 114.94 121.16 2k78 s ASN 54 Ca 0.05 1.89 -0.08 0.00 0.21 0.00 0.00 52.86 54.93 2k78 s ASN 54 Cb -0.18 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 37.98 2k78 s ASN 54 CO 0.09 -1.41 0.17 -1.59 -2.79 0.00 0.00 177.10 171.57 2k78 s LYS 55 N -4.15 0.83 0.73 0.43 -2.85 -1.26 -4.57 119.74 108.91 2k78 s LYS 55 Ca 0.65 -0.98 -0.12 0.00 -1.00 0.00 0.00 55.97 54.51 2k78 s LYS 55 Cb -0.18 0.33 0.17 0.00 -2.06 0.00 0.00 37.83 36.09 2k78 s LYS 55 CO 0.40 -0.25 0.93 -0.35 0.10 0.00 0.00 175.35 176.18 2k78 n PRO 56 N -0.05 -1.21 -3.32 1.78 -0.04 -1.26 -5.14 135.00 125.77 2k78 n PRO 56 Ca -0.15 -1.44 -0.19 0.00 -0.04 0.00 0.00 63.50 61.68 2k78 n PRO 56 Cb 0.62 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.82 4.28 -0.26 0.55 0.00 -0.97 -4.90 121.76 116.64 2k78 s ALA 57 Ca 0.54 -1.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 2k78 s ALA 57 Cb -0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2k78 s ALA 57 CO 0.38 -0.27 0.11 0.15 0.00 0.00 0.00 175.76 176.13 2k78 s LYS 58 N -4.24 3.69 0.40 0.00 1.02 -1.15 0.11 119.74 119.58 2k78 s LYS 58 Ca 0.51 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2k78 s LYS 58 Cb -0.06 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.81 2k78 s LYS 58 CO 0.30 -0.21 0.58 1.52 -0.92 0.00 0.00 175.35 176.62 2k78 s TYR 59 N 1.65 3.10 -0.23 3.18 1.13 0.24 -0.29 117.35 126.14 2k78 s TYR 59 Ca 0.06 -0.06 -0.10 0.00 -1.41 0.00 0.00 57.07 55.57 2k78 s TYR 59 Cb -0.16 -2.21 0.09 0.00 -1.10 0.00 0.00 41.96 38.58 2k78 s TYR 59 CO 0.06 -0.25 0.51 -1.50 -2.51 0.00 0.00 175.55 171.86 2k78 s ILE 60 N -2.38 -0.47 -0.04 -3.49 2.07 -0.90 -1.19 121.20 114.79 2k78 s ILE 60 Ca 0.48 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.80 2k78 s ILE 60 Cb -0.10 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.74 2k78 s ILE 60 CO 0.34 0.04 0.01 -0.54 -1.91 0.00 0.00 174.94 172.88 2k78 s LYS 61 N 2.22 0.30 -0.96 3.50 1.02 0.48 0.10 119.74 126.41 2k78 s LYS 61 Ca -0.06 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.08 2k78 s LYS 61 Cb -0.10 -0.62 0.32 0.00 -0.52 0.00 0.00 37.83 36.91 2k78 s LYS 61 CO -0.15 -0.22 1.59 1.63 -0.92 0.00 0.00 175.35 177.27 2k78 n LYS 62 N 4.65 4.82 -2.92 1.68 5.02 -0.95 -4.16 118.16 126.30 2k78 n LYS 62 Ca -0.16 -4.68 -0.02 0.00 -2.02 0.00 0.00 58.31 51.43 2k78 n LYS 62 Cb 0.50 -2.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.06 2k78 n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k78 n ASN 63 N 0.22 -5.19 0.00 4.39 3.02 -1.26 -4.42 115.26 112.02 2k78 n ASN 63 Ca 0.40 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 2k78 n ASN 63 Cb 0.30 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 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 2.03 1.00 3.59 7.41 0.00 -1.26 -5.06 105.19 112.91 2k78 n GLY 64 Ca -0.14 0.00 -0.06 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 -0.74 0.37 -0.01 1.61 -2.85 -1.26 -5.18 119.74 111.68 2k78 s LYS 65 Ca 0.00 -0.03 -0.21 0.00 -1.00 0.00 0.00 55.97 54.73 2k78 s LYS 65 Cb 0.00 0.17 0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2k78 s LYS 65 CO 0.00 -0.14 0.47 -0.48 0.10 0.00 0.00 175.35 175.30 2k78 s LEU 66 N -1.63 0.19 0.00 2.77 -0.00 -1.26 -2.25 118.68 116.51 2k78 s LEU 66 Ca 0.06 0.28 0.00 0.00 -0.00 0.00 0.00 54.13 54.47 2k78 s LEU 66 Cb -0.01 1.85 0.00 0.00 -0.00 0.00 0.00 46.19 48.03 2k78 s LEU 66 CO -0.04 -0.57 0.00 -1.22 -0.00 0.00 0.00 176.35 174.52 2k78 n TYR 67 N 0.93 -0.05 -3.64 3.48 4.02 0.29 -4.17 117.16 118.03 2k78 n TYR 67 Ca -0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.65 2k78 n TYR 67 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.14 -0.72 1.01 -0.99 -2.13 120.40 115.81 2k78 s VAL 68 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2k78 s VAL 68 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2k78 s VAL 68 CO 0.00 0.00 0.10 0.00 0.00 0.00 0.00 175.10 175.20 2k78 s GLN 69 N 1.12 3.64 -0.10 2.72 -2.07 0.60 -0.32 119.66 125.25 2k78 s GLN 69 Ca -0.07 -0.23 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 2k78 s GLN 69 Cb -0.04 -3.19 -0.02 0.00 -1.09 0.00 0.00 33.01 28.67 2k78 s GLN 69 CO -0.13 0.57 -0.13 -1.50 -1.32 0.00 0.00 175.29 172.78 2k78 s ILE 70 N -0.44 3.14 -0.13 3.63 1.10 -0.25 -2.91 121.20 125.34 2k78 s ILE 70 Ca 0.11 -0.65 -0.19 0.00 -0.51 0.00 0.00 60.65 59.41 2k78 s ILE 70 Cb -0.12 -2.29 -0.04 0.00 0.15 0.00 0.00 42.46 40.16 2k78 s ILE 70 CO 0.02 0.55 0.52 -0.89 -2.11 0.00 0.00 174.94 173.02 2k78 s THR 71 N -0.02 5.15 -0.06 4.00 2.01 -1.26 -2.02 115.64 123.44 2k78 s THR 71 Ca -0.03 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.98 2k78 s THR 71 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2k78 s THR 71 CO 0.04 0.28 0.05 0.68 -0.69 0.00 0.00 174.62 174.98 2k78 s VAL 72 N 0.87 4.66 -0.13 3.82 -7.23 0.28 -3.25 120.40 119.43 2k78 s VAL 72 Ca 0.27 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.12 2k78 s VAL 72 Cb -0.15 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2k78 s VAL 72 CO 0.11 0.50 0.14 0.21 -0.31 0.00 0.00 175.10 175.75 2k78 s ASN 73 N -1.26 6.37 -0.10 4.85 3.84 -1.15 -2.68 114.94 124.81 2k78 s ASN 73 Ca 0.17 0.44 -0.07 0.00 0.21 0.00 0.00 52.86 53.61 2k78 s ASN 73 Cb -0.12 -2.07 0.03 0.00 -0.55 0.00 0.00 41.25 38.54 2k78 s ASN 73 CO 0.07 0.38 0.15 1.57 -2.79 0.00 0.00 177.10 176.49 2k78 n HIS 74 N 2.16 -3.73 -0.19 0.43 -0.00 -0.59 -4.43 115.22 108.86 2k78 n HIS 74 Ca -0.20 2.19 -0.08 0.00 0.46 0.00 0.00 57.72 60.10 2k78 n HIS 74 Cb 0.55 -3.35 0.02 0.00 -0.12 0.00 0.00 29.99 27.08 2k78 n HIS 74 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2k78 h SER 75 N 4.31 0.70 -0.53 0.26 4.64 -1.82 -2.83 113.55 118.29 2k78 h SER 75 Ca -0.34 -0.14 0.10 0.00 -0.47 0.00 0.00 61.79 60.95 2k78 h SER 75 Cb 0.77 -0.18 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 2k78 h SER 75 CO 0.01 0.64 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.84 2k78 h HIS 76 N 0.71 -0.09 0.17 4.77 6.17 -1.89 -2.93 115.15 122.07 2k78 h HIS 76 Ca 0.18 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.29 2k78 h HIS 76 Cb 0.14 0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.19 2k78 h HIS 76 CO -0.00 -0.15 -0.12 -1.49 0.71 0.00 0.00 177.93 176.88 2k78 h TRP 77 N 0.09 -0.31 -3.45 5.26 6.55 -1.71 -3.34 115.95 119.04 2k78 h TRP 77 Ca 0.27 -0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.50 2k78 h TRP 77 Cb 0.41 0.11 -0.11 0.00 -0.86 0.00 0.00 29.16 28.72 2k78 h TRP 77 CO -0.35 -0.17 0.31 -1.50 -1.05 0.00 0.00 178.44 175.67 2k78 s ILE 78 N -3.68 4.86 -0.26 1.49 2.07 -1.10 -3.14 121.20 121.45 2k78 s ILE 78 Ca -0.04 1.14 0.21 0.00 -1.41 0.00 0.00 60.65 60.54 2k78 s ILE 78 Cb 0.01 -4.07 0.08 0.00 0.13 0.00 0.00 42.46 38.60 2k78 s ILE 78 CO 0.14 -0.16 1.22 0.00 -1.91 0.00 0.00 174.94 174.23 2k78 h THR 79 N 5.54 0.21 -2.03 4.00 1.03 -1.38 -3.42 112.91 116.85 2k78 h THR 79 Ca -0.25 -1.34 0.31 0.00 -0.01 0.00 0.00 66.41 65.12 2k78 h THR 79 Cb 1.11 1.86 -0.08 0.00 -1.07 0.00 0.00 68.15 69.97 2k78 h THR 79 CO 0.84 0.12 0.84 -0.83 -0.01 0.00 0.00 175.52 176.48 2k78 s GLY 80 N -4.41 -0.16 0.11 2.99 0.00 -1.05 -4.93 107.32 99.87 2k78 s GLY 80 Ca 0.02 0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.72 2k78 s GLY 80 CO 0.75 3.83 0.36 -3.16 0.00 0.00 0.00 173.10 174.88 2k78 s MET 81 N -2.15 1.00 -0.01 2.90 0.23 -1.26 -2.66 119.30 117.34 2k78 s MET 81 Ca 0.25 -0.71 -0.24 0.00 -1.03 0.00 0.00 55.69 53.96 2k78 s MET 81 Cb 0.00 0.44 0.05 0.00 -1.53 0.00 0.00 34.83 33.79 2k78 s MET 81 CO -0.01 -0.37 0.52 0.45 -2.03 0.00 0.00 175.02 173.58 2k78 s SER 82 N -2.70 -0.46 0.07 -1.18 0.15 0.47 -2.53 113.70 107.52 2k78 s SER 82 Ca 0.02 0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 2k78 s SER 82 Cb 0.02 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2k78 s SER 82 CO -0.10 -0.59 0.20 -0.63 1.20 0.00 0.00 173.24 173.31 2k78 s ILE 83 N -1.58 0.13 -0.88 6.45 1.01 -0.70 0.10 121.20 125.72 2k78 s ILE 83 Ca -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2k78 s ILE 83 Cb -0.02 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2k78 s ILE 83 CO 0.05 -0.57 0.00 1.21 0.00 0.00 0.00 174.94 175.63 2k78 n GLU 84 N 0.26 -1.54 -1.00 2.79 0.00 -1.14 -1.37 120.64 118.65 2k78 n GLU 84 Ca -0.17 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.75 2k78 n GLU 84 Cb 0.61 -5.06 0.00 0.00 0.00 0.00 0.00 31.44 26.99 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 -0.05 0.46 3.15 8.31 0.00 -1.26 -5.05 105.19 110.77 2k78 n GLY 85 Ca -0.08 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 0.82 0.83 1.61 -3.43 -0.47 -5.14 115.29 107.50 2k78 s HIS 86 Ca 0.00 -0.96 -0.11 0.00 -0.80 0.00 0.00 55.06 53.19 2k78 s HIS 86 Cb 0.00 -0.49 0.09 0.00 -1.43 0.00 0.00 32.58 30.75 2k78 s HIS 86 CO 0.00 -0.21 1.09 0.15 -2.00 0.00 0.00 174.74 173.77 2k78 s LYS 87 N -3.86 1.83 0.58 -0.38 -0.14 -1.26 -1.73 119.74 114.78 2k78 s LYS 87 Ca 0.11 0.83 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 2k78 s LYS 87 Cb 0.06 -1.87 0.04 0.00 -1.68 0.00 0.00 37.83 34.38 2k78 s LYS 87 CO -0.06 -1.85 0.81 -1.83 -0.76 0.00 0.00 175.35 171.67 2k78 s GLU 88 N -5.01 2.46 -0.11 1.68 1.03 -1.05 -4.72 118.70 112.99 2k78 s GLU 88 Ca 0.62 -0.73 -0.02 0.00 0.03 0.00 0.00 54.97 54.87 2k78 s GLU 88 Cb -0.16 -2.44 -0.03 0.00 -0.80 0.00 0.00 34.13 30.70 2k78 s GLU 88 CO 0.56 -0.81 -0.05 1.21 -1.33 0.00 0.00 175.26 174.84 2k78 s ASN 89 N -4.45 4.74 -0.56 0.83 2.47 -1.23 -4.96 114.94 111.78 2k78 s ASN 89 Ca 0.58 -0.07 -0.27 0.00 0.42 0.00 0.00 52.86 53.52 2k78 s ASN 89 Cb -0.10 -1.51 -0.03 0.00 -1.45 0.00 0.00 41.25 38.16 2k78 s ASN 89 CO 0.39 0.26 1.98 0.27 -3.72 0.00 0.00 177.10 176.29 2k78 s ILE 90 N -0.22 3.28 -0.12 -5.21 -4.36 -1.26 -3.02 121.20 110.30 2k78 s ILE 90 Ca 0.03 0.18 0.15 0.00 -0.26 0.00 0.00 60.65 60.76 2k78 s ILE 90 Cb -0.13 -3.70 -0.24 0.00 1.25 0.00 0.00 42.46 39.64 2k78 s ILE 90 CO 0.02 -0.66 0.36 0.00 0.24 0.00 0.00 174.94 174.91 2k78 n ILE 91 N 7.41 1.48 -3.08 8.37 3.06 -1.03 -4.88 119.36 130.69 2k78 n ILE 91 Ca 0.24 -0.83 0.03 0.00 -2.50 0.00 0.00 62.75 59.70 2k78 n ILE 91 Cb 0.52 -0.73 -0.00 0.00 0.54 0.00 0.00 39.64 39.97 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 -5.77 -1.02 -0.06 9.51 0.01 -1.22 -4.97 113.70 110.18 2k78 s SER 92 Ca -0.07 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 2k78 s SER 92 Cb 0.07 1.46 -0.05 0.00 0.21 0.00 0.00 66.02 67.72 2k78 s SER 92 CO 0.83 -0.15 0.29 -0.75 0.41 0.00 0.00 173.24 173.87 2k78 s LYS 93 N 2.39 3.75 -0.30 12.44 2.20 -1.26 -1.73 119.74 137.23 2k78 s LYS 93 Ca 0.17 0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 2k78 s LYS 93 Cb -0.03 -3.22 0.12 0.00 -1.51 0.00 0.00 37.83 33.18 2k78 s LYS 93 CO -0.17 0.69 0.20 1.21 -0.36 0.00 0.00 175.35 176.92 2k78 s ASN 94 N -0.93 2.77 0.13 1.43 3.04 0.05 -4.96 114.94 116.46 2k78 s ASN 94 Ca 0.20 -1.17 0.02 0.00 0.04 0.00 0.00 52.86 51.95 2k78 s ASN 94 Cb -0.14 -0.02 -0.14 0.00 -1.54 0.00 0.00 41.25 39.40 2k78 s ASN 94 CO 0.09 -0.41 1.29 0.71 -3.04 0.00 0.00 177.10 175.74 2k78 h THR 95 N 6.22 1.57 -0.59 -5.21 1.35 -1.96 0.22 112.91 114.52 2k78 h THR 95 Ca -0.15 -3.00 -0.02 0.00 -0.55 0.00 0.00 66.41 62.69 2k78 h THR 95 Cb 1.03 2.72 -0.03 0.00 -1.73 0.00 0.00 68.15 70.14 2k78 h THR 95 CO 0.38 0.87 0.28 0.00 -0.25 0.00 0.00 175.52 176.80 2k78 h ALA 96 N 0.88 0.76 -0.59 6.62 0.00 -1.94 -2.36 119.26 122.64 2k78 h ALA 96 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k78 h ALA 96 Cb 1.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2k78 h ALA 96 CO 0.15 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.36 2k78 n LYS 97 N -4.53 2.51 -3.69 0.00 4.01 -1.24 -4.95 118.16 110.27 2k78 n LYS 97 Ca 0.04 -2.19 -0.29 0.00 -0.51 0.00 0.00 58.31 55.36 2k78 n LYS 97 Cb 0.12 -1.51 0.04 0.00 -0.51 0.00 0.00 35.03 33.17 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2k78 n ASP 98 N 1.21 -4.53 -3.98 4.39 9.92 -0.79 -4.86 116.55 117.89 2k78 n ASP 98 Ca 0.20 -0.99 -0.10 0.00 -0.53 0.00 0.00 54.79 53.38 2k78 n ASP 98 Cb 0.54 -3.49 -0.07 0.00 -0.64 0.00 0.00 41.12 37.46 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2k78 s GLU 99 N -5.96 1.11 -0.11 -1.24 2.02 0.71 -1.55 118.70 113.68 2k78 s GLU 99 Ca 0.39 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 2k78 s GLU 99 Cb -0.13 0.36 0.12 0.00 0.10 0.00 0.00 34.13 34.57 2k78 s GLU 99 CO 0.85 -0.39 0.97 1.03 0.02 0.00 0.00 175.26 177.75 2k78 s ARG 100 N -3.97 0.65 0.04 1.61 0.52 -1.09 -0.77 118.95 115.94 2k78 s ARG 100 Ca 0.18 -0.04 -0.03 0.00 -0.52 0.00 0.00 55.73 55.32 2k78 s ARG 100 Cb 0.04 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 2k78 s ARG 100 CO -0.00 -0.24 0.03 0.99 0.02 0.00 0.00 175.30 176.09 2k78 s THR 101 N -1.94 0.15 -0.07 0.02 2.01 -0.71 0.10 115.64 115.21 2k78 s THR 101 Ca 0.02 -1.21 -0.06 0.00 0.31 0.00 0.00 61.69 60.74 2k78 s THR 101 Cb -0.01 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.66 2k78 s THR 101 CO -0.03 -0.67 0.18 -0.94 -0.69 0.00 0.00 174.62 172.47 2k78 s SER 102 N -2.12 -0.18 -0.12 3.53 1.04 -0.86 -2.46 113.70 112.53 2k78 s SER 102 Ca -0.05 0.35 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 2k78 s SER 102 Cb -0.02 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2k78 s SER 102 CO -0.05 -0.07 0.43 -0.70 0.98 0.00 0.00 173.24 173.83 2k78 s GLU 103 N 0.19 4.30 0.07 4.02 2.12 -1.17 -1.10 118.70 127.15 2k78 s GLU 103 Ca -0.01 0.36 0.07 0.00 0.36 0.00 0.00 54.97 55.75 2k78 s GLU 103 Cb -0.02 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2k78 s GLU 103 CO -0.00 0.20 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.72 2k78 s PHE 104 N 0.52 2.66 -0.13 5.30 0.08 0.56 -3.51 117.98 123.45 2k78 s PHE 104 Ca 0.24 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.04 2k78 s PHE 104 Cb -0.15 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 2k78 s PHE 104 CO 0.09 0.36 0.04 -1.83 -0.10 0.00 0.00 175.22 173.77 2k78 s GLU 105 N -1.86 3.48 0.09 0.44 -1.05 -1.26 -2.35 118.70 116.20 2k78 s GLU 105 Ca 0.18 -0.36 -0.12 0.00 -0.15 0.00 0.00 54.97 54.52 2k78 s GLU 105 Cb -0.11 -3.01 0.01 0.00 -0.44 0.00 0.00 34.13 30.59 2k78 s GLU 105 CO 0.09 0.50 0.27 0.14 0.95 0.00 0.00 175.26 177.22 2k78 s VAL 106 N -0.30 0.11 0.41 1.83 -7.23 -1.26 -4.81 120.40 109.15 2k78 s VAL 106 Ca 0.08 -0.91 0.16 0.00 -1.81 0.00 0.00 61.98 59.49 2k78 s VAL 106 Cb -0.12 -1.21 0.36 0.00 0.56 0.00 0.00 36.38 35.97 2k78 s VAL 106 CO 0.02 -0.50 1.88 0.77 -0.31 0.00 0.00 175.10 176.95 2k78 h SER 107 N 2.74 0.44 0.00 4.85 4.64 -1.99 -3.44 113.55 120.80 2k78 h SER 107 Ca -0.34 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2k78 h SER 107 Cb 1.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k78 h SER 107 CO 0.52 0.20 0.00 1.17 -0.87 0.00 0.00 176.83 177.85 2k78 n LYS 108 N -4.51 0.00 -2.81 4.77 0.00 -1.26 -4.81 118.16 109.54 2k78 n LYS 108 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.38 2k78 n LYS 108 Cb 0.60 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.68 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 0.00 -0.22 -2.97 3.14 -0.00 -1.26 -4.95 117.00 110.74 2k78 n LEU 109 Ca 0.00 -3.96 -0.14 0.00 -0.00 0.00 0.00 56.01 51.91 2k78 n LEU 109 Cb 0.00 0.49 0.01 0.00 -0.00 0.00 0.00 43.42 43.92 2k78 n LEU 109 CO 0.00 1.91 -0.05 -3.20 -0.00 0.00 0.00 177.39 176.05 2k78 n ASN 110 N -0.04 0.12 0.00 1.45 2.85 -1.10 -0.38 115.26 118.17 2k78 n ASN 110 Ca 0.09 -3.06 0.00 0.00 -0.11 0.00 0.00 54.58 51.50 2k78 n ASN 110 Cb 0.77 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.80 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 0.18 -0.53 3.81 8.20 0.00 0.51 -4.94 105.19 112.43 2k78 n GLY 111 Ca 0.17 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 4.36 -0.04 1.61 2.36 -1.26 -1.25 119.74 123.52 2k78 s LYS 112 Ca 0.00 1.12 0.01 0.00 -2.55 0.00 0.00 55.97 54.54 2k78 s LYS 112 Cb 0.00 -2.59 0.02 0.00 -1.05 0.00 0.00 37.83 34.21 2k78 s LYS 112 CO 0.00 0.19 -0.02 0.42 1.55 0.00 0.00 175.35 177.50 2k78 s ILE 113 N -1.81 0.32 -0.37 5.43 -1.09 0.40 -4.93 121.20 119.15 2k78 s ILE 113 Ca 0.53 0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.66 2k78 s ILE 113 Cb -0.15 -0.39 0.01 0.00 -1.58 0.00 0.00 42.46 40.35 2k78 s ILE 113 CO 0.19 0.18 1.29 -1.81 -1.23 0.00 0.00 174.94 173.56 2k78 s ASP 114 N 1.01 6.58 0.27 3.58 1.01 -1.26 -1.76 116.67 126.08 2k78 s ASP 114 Ca -0.10 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.09 2k78 s ASP 114 Cb -0.14 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 2k78 s ASP 114 CO -0.01 -1.21 0.01 0.61 0.21 0.00 0.00 175.17 174.77 2k78 n GLY 115 N 4.63 3.84 3.26 0.21 0.00 -1.14 -2.87 105.19 113.12 2k78 n GLY 115 Ca 0.15 -2.27 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 2k78 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 116 N -2.97 1.05 -0.13 1.61 1.02 0.29 -3.10 119.74 117.52 2k78 s LYS 116 Ca 0.01 -1.25 -0.26 0.00 0.02 0.00 0.00 55.97 54.50 2k78 s LYS 116 Cb 0.00 0.33 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 2k78 s LYS 116 CO 0.01 -0.35 0.62 -1.50 -0.92 0.00 0.00 175.35 173.21 2k78 s ILE 117 N -3.99 0.01 0.18 2.17 -1.16 -0.66 0.18 121.20 117.93 2k78 s ILE 117 Ca 0.18 -0.05 0.06 0.00 -0.51 0.00 0.00 60.65 60.33 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 -0.00 -0.03 0.10 -1.81 -2.81 0.00 0.00 174.94 170.39 2k78 s ASP 118 N -0.56 5.30 0.05 4.50 1.01 -1.09 -2.25 116.67 123.63 2k78 s ASP 118 Ca -0.07 -0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.01 2k78 s ASP 118 Cb -0.02 -1.31 -0.02 0.00 1.01 0.00 0.00 42.92 42.57 2k78 s ASP 118 CO 0.05 0.06 -0.15 -0.69 0.21 0.00 0.00 175.17 174.65 2k78 s VAL 119 N -1.82 1.17 -0.27 -1.27 1.01 -1.18 -1.52 120.40 116.53 2k78 s VAL 119 Ca 0.30 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2k78 s VAL 119 Cb -0.09 -1.07 0.15 0.00 0.00 0.00 0.00 36.38 35.37 2k78 s VAL 119 CO 0.22 -0.01 0.41 -0.47 0.00 0.00 0.00 175.10 175.25 2k78 s TYR 120 N -0.91 -0.98 0.11 5.22 6.14 -1.19 -2.70 117.35 123.05 2k78 s TYR 120 Ca 0.02 0.59 0.07 0.00 0.64 0.00 0.00 57.07 58.38 2k78 s TYR 120 Cb -0.08 -0.05 -0.04 0.00 0.42 0.00 0.00 41.96 42.21 2k78 s TYR 120 CO 0.01 -0.88 -0.16 0.42 0.64 0.00 0.00 175.55 175.58 2k78 s ILE 121 N 2.56 1.42 -0.34 3.14 1.01 0.19 -4.40 121.20 124.78 2k78 s ILE 121 Ca 0.11 -1.59 0.07 0.00 0.00 0.00 0.00 60.65 59.23 2k78 s ILE 121 Cb -0.14 -1.45 0.19 0.00 0.01 0.00 0.00 42.46 41.07 2k78 s ILE 121 CO -0.24 -0.27 0.62 1.51 0.00 0.00 0.00 174.94 176.55 2k78 s ASP 122 N -2.17 -1.57 0.04 3.58 -4.77 -1.26 -0.97 116.67 109.54 2k78 s ASP 122 Ca 0.06 -0.24 -0.27 0.00 -3.30 0.00 0.00 52.55 48.80 2k78 s ASP 122 Cb -0.07 1.99 0.10 0.00 -1.09 0.00 0.00 42.92 43.84 2k78 s ASP 122 CO 0.04 -0.24 1.21 -1.83 0.70 0.00 0.00 175.17 175.04 2k78 s GLU 123 N 2.40 0.65 -0.63 2.11 -1.05 -1.12 -4.99 118.70 116.06 2k78 s GLU 123 Ca 0.13 -0.40 -0.25 0.00 -0.15 0.00 0.00 54.97 54.30 2k78 s GLU 123 Cb -0.07 0.19 0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2k78 s GLU 123 CO -0.18 -0.30 1.08 0.15 0.95 0.00 0.00 175.26 176.96 2k78 s LYS 124 N -2.29 3.26 -0.61 -4.83 1.02 -1.26 0.71 119.74 115.75 2k78 s LYS 124 Ca 0.21 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.60 2k78 s LYS 124 Cb 0.01 -4.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.20 2k78 s LYS 124 CO -0.00 -1.78 1.42 0.08 -0.92 0.00 0.00 175.35 174.15 2k78 s VAL 125 N 4.61 3.74 -1.13 3.17 1.01 0.25 -3.58 120.40 128.47 2k78 s VAL 125 Ca 0.31 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 2k78 s VAL 125 Cb -0.12 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.75 2k78 s VAL 125 CO 0.17 -1.31 0.97 -3.20 0.00 0.00 0.00 175.10 171.73 2k78 n ASN 126 N 9.81 -4.49 -0.92 3.32 4.05 -1.26 -2.46 115.26 123.30 2k78 n ASN 126 Ca 0.11 -0.49 -0.06 0.00 0.45 0.00 0.00 54.58 54.58 2k78 n ASN 126 Cb 0.49 -4.46 0.01 0.00 1.23 0.00 0.00 39.78 37.05 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 -1.57 0.27 2.75 8.20 0.00 -1.23 -5.02 105.19 108.58 2k78 n GLY 127 Ca -0.08 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.68 0.20 -0.36 1.61 1.02 -1.03 -5.07 119.74 111.43 2k78 s LYS 128 Ca 0.06 0.18 -0.39 0.00 0.02 0.00 0.00 55.97 55.84 2k78 s LYS 128 Cb -0.03 -1.18 -0.15 0.00 -0.52 0.00 0.00 37.83 35.96 2k78 s LYS 128 CO 0.07 -0.68 2.02 -2.30 -0.92 0.00 0.00 175.35 173.55 2k78 n PRO 129 N 5.32 0.85 -4.22 -1.68 -0.02 -1.26 0.86 135.00 134.85 2k78 n PRO 129 Ca -0.05 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 2k78 n PRO 129 Cb 0.49 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 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 5.72 2.76 -0.05 6.00 5.36 0.22 -4.82 117.98 133.17 2k78 s PHE 130 Ca 1.08 -0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 56.90 2k78 s PHE 130 Cb -1.08 -1.42 0.03 0.00 -0.34 0.00 0.00 43.02 40.21 2k78 s PHE 130 CO 0.59 0.45 -0.02 0.15 -1.46 0.00 0.00 175.22 174.94 2k78 s LYS 131 N -2.40 0.62 -0.03 10.12 3.01 -1.26 -2.77 119.74 127.03 2k78 s LYS 131 Ca 0.23 0.02 -0.00 0.00 -1.01 0.00 0.00 55.97 55.21 2k78 s LYS 131 Cb -0.11 -0.81 0.03 0.00 -1.01 0.00 0.00 37.83 35.94 2k78 s LYS 131 CO 0.15 -0.18 0.04 -0.47 0.51 0.00 0.00 175.35 175.40 2k78 s TYR 132 N 1.35 0.01 -0.32 3.18 5.04 -0.15 -4.94 117.35 121.52 2k78 s TYR 132 Ca -0.05 0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.66 2k78 s TYR 132 Cb -0.13 -0.23 0.19 0.00 0.35 0.00 0.00 41.96 42.14 2k78 s TYR 132 CO -0.02 -0.10 1.07 0.16 -1.34 0.00 0.00 175.55 175.32 2k78 s ASP 133 N 1.10 -0.28 0.00 4.32 1.47 -1.25 0.55 116.67 122.59 2k78 s ASP 133 Ca -0.09 -0.17 0.00 0.00 1.18 0.00 0.00 52.55 53.47 2k78 s ASP 133 Cb -0.13 0.36 0.00 0.00 -0.34 0.00 0.00 42.92 42.81 2k78 s ASP 133 CO -0.03 -0.03 0.00 1.57 0.68 0.00 0.00 175.17 177.36 2k78 n HIS 134 N 3.49 -0.24 -4.76 2.11 -0.00 -1.10 -5.01 115.22 109.71 2k78 n HIS 134 Ca 0.06 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.94 2k78 n HIS 134 Cb 0.64 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.37 2k78 n HIS 134 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k78 s HIS 135 N -3.89 2.43 0.35 1.57 2.46 -1.26 -3.09 115.29 113.86 2k78 s HIS 135 Ca 0.00 -0.34 -0.08 0.00 0.47 0.00 0.00 55.06 55.11 2k78 s HIS 135 Cb 0.00 -1.42 0.03 0.00 -0.13 0.00 0.00 32.58 31.07 2k78 s HIS 135 CO 0.00 0.20 0.61 0.66 -2.47 0.00 0.00 174.74 173.73 2k78 n TYR 136 N 1.62 -1.87 -4.02 3.88 4.01 -0.96 -5.00 117.16 114.82 2k78 n TYR 136 Ca -0.17 -1.92 -0.09 0.00 -0.16 0.00 0.00 57.90 55.56 2k78 n TYR 136 Cb 0.52 0.70 -0.06 0.00 -0.31 0.00 0.00 39.34 40.20 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 -2.95 -0.06 0.31 7.72 2.20 -1.26 -1.65 114.94 119.25 2k78 s ASN 137 Ca 0.20 -0.98 -0.15 0.00 -0.94 0.00 0.00 52.86 50.99 2k78 s ASN 137 Cb -0.03 0.56 0.02 0.00 -2.00 0.00 0.00 41.25 39.80 2k78 s ASN 137 CO 0.15 -1.10 0.65 0.27 -2.94 0.00 0.00 177.10 174.13 2k78 s ILE 138 N -4.03 0.00 0.45 0.54 -4.36 -1.18 -4.62 121.20 107.99 2k78 s ILE 138 Ca 0.24 -1.17 -0.01 0.00 -0.26 0.00 0.00 60.65 59.45 2k78 s ILE 138 Cb 0.00 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2k78 s ILE 138 CO 0.09 0.00 0.69 -0.89 0.24 0.00 0.00 174.94 175.07 2k78 s THR 139 N -3.33 4.36 -0.24 8.37 2.01 -0.82 -2.88 115.64 123.10 2k78 s THR 139 Ca 0.18 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2k78 s THR 139 Cb -0.04 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 68.95 2k78 s THR 139 CO 0.11 -0.48 0.21 -0.31 -0.69 0.00 0.00 174.62 173.46 2k78 s TYR 140 N -2.58 -0.16 -0.45 4.92 2.02 -0.72 -3.99 117.35 116.38 2k78 s TYR 140 Ca 0.47 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 2k78 s TYR 140 Cb -0.10 -0.54 0.08 0.00 -0.40 0.00 0.00 41.96 41.00 2k78 s TYR 140 CO 0.39 -0.74 0.34 0.15 -1.57 0.00 0.00 175.55 174.12 2k78 s LYS 141 N 2.27 2.79 -0.04 -0.62 1.02 -1.16 0.15 119.74 124.15 2k78 s LYS 141 Ca 0.08 -1.45 -0.17 0.00 0.02 0.00 0.00 55.97 54.44 2k78 s LYS 141 Cb -0.15 -3.98 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 2k78 s LYS 141 CO -0.23 -1.03 0.48 -0.06 -0.92 0.00 0.00 175.35 173.59 2k78 s PHE 142 N 1.53 3.65 -0.28 3.18 0.08 -0.38 -2.30 117.98 123.45 2k78 s PHE 142 Ca 0.04 1.01 0.01 0.00 0.12 0.00 0.00 56.93 58.11 2k78 s PHE 142 Cb -0.24 -2.46 0.08 0.00 -0.57 0.00 0.00 43.02 39.82 2k78 s PHE 142 CO 0.04 0.41 0.01 -0.80 -0.10 0.00 0.00 175.22 174.78 2k78 s ASN 143 N -0.28 4.08 0.00 1.36 0.01 0.12 -0.36 114.94 119.87 2k78 s ASN 143 Ca 0.26 -1.51 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 2k78 s ASN 143 Cb -0.17 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.31 2k78 s ASN 143 CO 0.13 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 2k78 n GLY 144 N 4.63 4.32 3.20 0.66 0.00 0.49 -2.47 105.19 116.03 2k78 n GLY 144 Ca -0.06 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2k78 n GLY 144 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k78 n PRO 145 N 0.00 -1.45 0.02 1.61 -0.04 -1.26 -4.78 135.00 129.09 2k78 n PRO 145 Ca 0.00 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 2k78 n PRO 145 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 -4.30 0.00 -0.08 0.52 -2.24 -1.26 -4.53 114.28 102.39 2k78 n THR 146 Ca 0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2k78 n THR 146 Cb 0.62 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.60 1.85 0.00 3.42 9.92 -1.26 -4.94 116.55 122.93 2k78 n ASP 147 Ca 0.00 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 2k78 n ASP 147 Cb 0.00 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2k78 n VAL 148 N -4.57 0.00 0.21 2.53 0.31 -1.26 -4.38 118.33 111.17 2k78 n VAL 148 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2k78 n VAL 148 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 8.32 0.22 0.44 3.52 0.00 -1.26 -5.27 120.51 126.47 2k78 n ALA 149 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2k78 n ALA 149 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91