#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 0.87 -1.79 -0.43 0.00 -1.26 -4.74 121.76 114.41 2k78 s ALA 26 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2k78 s ALA 26 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2k78 s ALA 26 CO 0.00 0.10 0.00 -1.71 0.00 0.00 0.00 175.76 174.15 2k78 n ASN 27 N 3.55 -5.26 -3.67 0.00 2.85 -1.26 -4.95 115.26 106.53 2k78 n ASN 27 Ca -0.21 0.26 -0.15 0.00 -0.11 0.00 0.00 54.58 54.37 2k78 n ASN 27 Cb 0.53 -4.35 -0.08 0.00 1.24 0.00 0.00 39.78 37.12 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 -2.78 -1.23 0.00 5.20 0.00 -1.26 -5.17 121.76 116.53 2k78 s ALA 28 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2k78 s ALA 28 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2k78 s ALA 28 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.48 2k78 n ALA 29 N 1.70 0.00 -2.18 0.00 0.00 -1.26 -4.50 120.51 114.27 2k78 n ALA 29 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 2k78 n ALA 29 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -5.06 -3.43 0.00 8.00 -1.26 -4.90 116.55 109.89 2k78 n ASP 30 Ca 0.00 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 2k78 n ASP 30 Cb 0.00 -4.32 -0.02 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 -0.58 0.00 -2.24 1.04 -1.26 -0.57 113.70 107.93 2k78 s SER 31 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2k78 s SER 31 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2k78 s SER 31 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2k78 n GLY 32 N -0.26 0.06 3.50 7.32 0.00 -0.72 -4.97 105.19 110.13 2k78 n GLY 32 Ca -0.17 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 4.56 0.27 2.61 -4.23 -1.26 -0.23 115.64 115.36 2k78 s THR 33 Ca 0.00 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2k78 s THR 33 Cb 0.00 -4.45 -0.04 0.00 1.34 0.00 0.00 72.50 69.35 2k78 s THR 33 CO 0.00 -0.99 0.46 -0.22 -0.54 0.00 0.00 174.62 173.33 2k78 s LEU 34 N 3.49 4.14 0.20 4.79 2.96 0.12 -4.88 118.68 129.50 2k78 s LEU 34 Ca 0.26 0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 2k78 s LEU 34 Cb -0.15 -3.22 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 2k78 s LEU 34 CO 0.17 -0.16 0.94 0.20 -1.32 0.00 0.00 176.35 176.18 2k78 s ASN 35 N -3.59 7.59 -0.03 3.68 0.01 -0.98 -2.20 114.94 119.42 2k78 s ASN 35 Ca 0.39 1.89 -0.29 0.00 -0.71 0.00 0.00 52.86 54.14 2k78 s ASN 35 Cb -0.10 -2.60 0.10 0.00 0.41 0.00 0.00 41.25 39.06 2k78 s ASN 35 CO 0.32 0.10 0.84 -0.72 -1.51 0.00 0.00 177.10 176.12 2k78 s TYR 36 N -0.84 -0.44 0.29 2.20 1.13 -1.26 0.94 117.35 119.37 2k78 s TYR 36 Ca 0.42 0.51 -0.07 0.00 -1.41 0.00 0.00 57.07 56.52 2k78 s TYR 36 Cb -0.25 0.49 0.03 0.00 -1.10 0.00 0.00 41.96 41.13 2k78 s TYR 36 CO 0.31 -0.55 0.51 0.39 -2.51 0.00 0.00 175.55 173.70 2k78 n GLU 37 N 0.20 0.73 -3.65 -3.49 1.02 0.21 -4.80 120.64 110.87 2k78 n GLU 37 Ca -0.12 -1.86 -0.22 0.00 -0.02 0.00 0.00 57.16 54.94 2k78 n GLU 37 Cb 0.60 2.08 -0.18 0.00 -0.02 0.00 0.00 31.44 33.93 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k78 s VAL 38 N -2.48 -0.11 0.56 2.62 -7.23 -1.26 0.29 120.40 112.78 2k78 s VAL 38 Ca 0.16 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 2k78 s VAL 38 Cb -0.03 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.65 2k78 s VAL 38 CO 0.12 0.03 0.80 -0.31 -0.31 0.00 0.00 175.10 175.42 2k78 s TYR 39 N 2.17 2.89 0.05 2.82 2.02 -0.95 -4.23 117.35 122.12 2k78 s TYR 39 Ca 0.04 0.06 -0.31 0.00 -0.37 0.00 0.00 57.07 56.49 2k78 s TYR 39 Cb -0.13 -2.77 -0.07 0.00 -0.40 0.00 0.00 41.96 38.58 2k78 s TYR 39 CO -0.05 -0.90 1.53 0.21 -1.57 0.00 0.00 175.55 174.77 2k78 s LYS 40 N -4.80 4.24 0.37 -0.62 2.47 -1.01 -2.41 119.74 117.99 2k78 s LYS 40 Ca 0.57 2.17 -0.25 0.00 -1.56 0.00 0.00 55.97 56.90 2k78 s LYS 40 Cb -0.10 -3.53 -0.13 0.00 -1.46 0.00 0.00 37.83 32.61 2k78 s LYS 40 CO 0.39 -0.64 0.79 0.98 0.16 0.00 0.00 175.35 177.03 2k78 n TYR 41 N 5.27 0.42 -0.64 4.03 9.36 -1.26 -0.62 117.16 133.73 2k78 n TYR 41 Ca 0.14 0.64 0.00 0.00 3.32 0.00 0.00 57.90 62.01 2k78 n TYR 41 Cb 0.42 -2.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 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 1.09 0.00 -0.44 2.98 5.15 -1.26 -4.93 115.26 117.85 2k78 n ASN 42 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2k78 n ASN 42 Cb 0.36 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 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 -2.38 -0.44 -2.24 0.21 -5.08 114.28 102.36 2k78 n THR 43 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2k78 n THR 43 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.07 1.21 -3.80 3.42 4.13 -1.26 -4.60 115.26 113.30 2k78 n ASN 44 Ca 0.00 -2.32 -0.24 0.00 1.68 0.00 0.00 54.58 53.70 2k78 n ASN 44 Cb 0.00 -0.35 -0.17 0.00 -1.54 0.00 0.00 39.78 37.72 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 -2.35 1.73 0.02 6.41 -1.08 -1.26 -4.89 116.67 115.24 2k78 s ASP 45 Ca 0.34 -0.14 -0.32 0.00 -0.52 0.00 0.00 52.55 51.91 2k78 s ASP 45 Cb 0.38 -0.52 -0.11 0.00 -1.46 0.00 0.00 42.92 41.21 2k78 s ASP 45 CO -0.14 -0.18 1.90 0.35 0.52 0.00 0.00 175.17 177.61 2k78 n THR 46 N 5.10 0.59 0.00 1.71 -2.24 -1.26 -2.39 114.28 115.79 2k78 n THR 46 Ca -0.08 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2k78 n THR 46 Cb 0.50 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 2k78 n THR 46 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k78 n SER 47 N 6.64 2.36 0.00 3.42 2.88 -1.26 -4.88 113.62 122.78 2k78 n SER 47 Ca 0.20 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2k78 n SER 47 Cb 0.36 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 2k78 n SER 47 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2k78 n ILE 48 N -0.75 0.00 -0.09 2.46 -5.35 -1.26 -4.86 119.36 109.51 2k78 n ILE 48 Ca 0.00 0.00 0.26 0.00 -0.27 0.00 0.00 62.75 62.74 2k78 n ILE 48 Cb 0.00 -0.04 0.60 0.00 -1.74 0.00 0.00 39.64 38.47 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k78 h ALA 49 N 0.00 2.61 0.00 -1.28 0.00 -1.94 0.61 119.26 119.26 2k78 h ALA 49 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k78 h ALA 49 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k78 h ALA 49 CO 0.00 -1.27 0.00 0.27 0.00 0.00 0.00 179.25 178.25 2k78 n ASN 50 N -3.50 0.62 -1.45 0.00 0.23 -1.26 -2.04 115.26 107.88 2k78 n ASN 50 Ca 0.17 0.70 0.09 0.00 -0.53 0.00 0.00 54.58 55.00 2k78 n ASN 50 Cb 1.12 -0.81 0.33 0.00 -2.08 0.00 0.00 39.78 38.34 2k78 n ASN 50 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2k78 n ASP 51 N -2.24 4.58 -0.16 0.53 9.92 0.21 -4.35 116.55 125.04 2k78 n ASP 51 Ca 0.01 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 2k78 n ASP 51 Cb 0.16 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 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 0.85 0.00 -4.73 1.24 4.01 -0.86 -5.06 117.16 112.61 2k78 n TYR 52 Ca 0.24 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.67 2k78 n TYR 52 Cb 0.87 -0.02 -0.17 0.00 -0.31 0.00 0.00 39.34 39.71 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2k78 s PHE 53 N -0.10 1.84 0.66 -0.72 -0.71 -1.21 -3.05 117.98 114.68 2k78 s PHE 53 Ca 0.01 -0.74 -0.13 0.00 -1.04 0.00 0.00 56.93 55.02 2k78 s PHE 53 Cb 0.01 -1.30 -0.01 0.00 -1.21 0.00 0.00 43.02 40.51 2k78 s PHE 53 CO 0.00 -0.35 1.07 -0.80 -1.34 0.00 0.00 175.22 173.80 2k78 s ASN 54 N 0.64 5.42 0.05 1.98 0.01 -1.21 -5.01 114.94 116.80 2k78 s ASN 54 Ca -0.14 1.77 -0.11 0.00 -0.71 0.00 0.00 52.86 53.67 2k78 s ASN 54 Cb -0.16 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 38.99 2k78 s ASN 54 CO 0.04 -1.42 0.25 -1.59 -1.51 0.00 0.00 177.10 172.87 2k78 s LYS 55 N -4.49 0.76 0.50 -0.60 -2.85 -1.26 -4.57 119.74 107.23 2k78 s LYS 55 Ca 0.62 -0.61 -0.08 0.00 -1.00 0.00 0.00 55.97 54.90 2k78 s LYS 55 Cb -0.16 0.32 0.12 0.00 -2.06 0.00 0.00 37.83 36.05 2k78 s LYS 55 CO 0.46 -0.24 0.67 -0.35 0.10 0.00 0.00 175.35 175.99 2k78 n PRO 56 N 0.56 -0.69 -3.21 1.78 -0.04 -1.26 -5.16 135.00 126.98 2k78 n PRO 56 Ca -0.18 -1.04 -0.18 0.00 -0.04 0.00 0.00 63.50 62.05 2k78 n PRO 56 Cb 0.60 -0.70 -0.00 0.00 -0.04 0.00 0.00 33.50 33.35 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 -3.97 4.38 -0.32 0.55 0.00 -0.94 -4.91 121.76 116.56 2k78 s ALA 57 Ca 0.38 -1.68 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 2k78 s ALA 57 Cb -0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2k78 s ALA 57 CO 0.27 -0.22 0.17 0.21 0.00 0.00 0.00 175.76 176.19 2k78 s LYS 58 N -4.27 3.41 0.36 0.00 2.36 -1.14 0.14 119.74 120.60 2k78 s LYS 58 Ca 0.52 -0.68 0.04 0.00 -2.55 0.00 0.00 55.97 53.30 2k78 s LYS 58 Cb -0.09 -3.62 -0.01 0.00 -1.05 0.00 0.00 37.83 33.06 2k78 s LYS 58 CO 0.32 -0.41 0.52 1.52 1.55 0.00 0.00 175.35 178.85 2k78 s TYR 59 N 1.65 3.19 -0.22 4.03 1.13 0.69 -0.73 117.35 127.08 2k78 s TYR 59 Ca 0.05 -0.04 -0.12 0.00 -1.41 0.00 0.00 57.07 55.54 2k78 s TYR 59 Cb -0.17 -2.05 0.07 0.00 -1.10 0.00 0.00 41.96 38.71 2k78 s TYR 59 CO 0.07 -0.07 0.54 -1.50 -2.51 0.00 0.00 175.55 172.08 2k78 s ILE 60 N -2.28 -0.01 -0.13 -3.49 2.07 -0.90 -1.75 121.20 114.70 2k78 s ILE 60 Ca 0.45 0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.70 2k78 s ILE 60 Cb -0.10 -0.79 0.05 0.00 0.13 0.00 0.00 42.46 41.76 2k78 s ILE 60 CO 0.33 0.02 0.08 -0.54 -1.91 0.00 0.00 174.94 172.92 2k78 s LYS 61 N 1.51 0.02 -1.14 3.50 1.02 0.26 0.61 119.74 125.53 2k78 s LYS 61 Ca -0.10 0.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 2k78 s LYS 61 Cb -0.07 -1.46 0.25 0.00 -0.52 0.00 0.00 37.83 36.03 2k78 s LYS 61 CO -0.16 -0.58 1.94 1.63 -0.92 0.00 0.00 175.35 177.27 2k78 n LYS 62 N 5.29 4.93 -2.94 1.68 5.02 -0.91 -4.38 118.16 126.85 2k78 n LYS 62 Ca -0.06 -4.22 -0.02 0.00 -2.02 0.00 0.00 58.31 51.99 2k78 n LYS 62 Cb 0.49 -2.56 -0.01 0.00 -0.02 0.00 0.00 35.03 32.93 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 0.95 -5.48 0.00 4.39 3.02 -1.26 -4.00 115.26 112.87 2k78 n ASN 63 Ca 0.48 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 56.09 2k78 n ASN 63 Cb 0.27 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 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 2.24 3.41 3.32 7.41 0.00 -1.26 -5.03 105.19 115.28 2k78 n GLY 64 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.83 1.35 -0.24 1.61 -2.85 -1.26 -5.16 119.74 112.36 2k78 s LYS 65 Ca 0.00 -1.70 -0.28 0.00 -1.00 0.00 0.00 55.97 52.99 2k78 s LYS 65 Cb 0.00 -0.43 0.15 0.00 -2.06 0.00 0.00 37.83 35.48 2k78 s LYS 65 CO 0.00 -0.19 1.13 -0.48 0.10 0.00 0.00 175.35 175.91 2k78 s LEU 66 N -3.30 -0.29 0.00 2.77 2.34 -1.26 -2.15 118.68 116.79 2k78 s LEU 66 Ca 0.32 0.44 0.00 0.00 0.06 0.00 0.00 54.13 54.95 2k78 s LEU 66 Cb 0.07 1.63 0.00 0.00 -0.56 0.00 0.00 46.19 47.33 2k78 s LEU 66 CO 0.10 -0.19 0.00 -1.22 -1.06 0.00 0.00 176.35 173.99 2k78 n TYR 67 N 1.27 -0.09 -3.64 3.48 4.02 0.20 -3.97 117.16 118.44 2k78 n TYR 67 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 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 0.54 -1.01 0.00 0.00 176.86 176.39 2k78 s VAL 68 N -1.87 -0.03 -0.17 -0.72 0.11 -0.36 -2.13 120.40 115.23 2k78 s VAL 68 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 2k78 s VAL 68 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2k78 s VAL 68 CO 0.00 0.00 0.15 0.00 -3.33 0.00 0.00 175.10 171.92 2k78 s GLN 69 N 1.51 4.01 -0.11 1.54 -2.07 0.09 -0.51 119.66 124.13 2k78 s GLN 69 Ca -0.09 -0.16 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 2k78 s GLN 69 Cb -0.04 -3.36 -0.01 0.00 -1.09 0.00 0.00 33.01 28.50 2k78 s GLN 69 CO -0.17 0.41 -0.19 0.42 -1.32 0.00 0.00 175.29 174.45 2k78 s ILE 70 N 0.02 2.56 -0.12 3.63 1.09 -0.59 -2.87 121.20 124.91 2k78 s ILE 70 Ca 0.11 -0.85 -0.21 0.00 -1.10 0.00 0.00 60.65 58.60 2k78 s ILE 70 Cb -0.11 -2.02 -0.03 0.00 -1.06 0.00 0.00 42.46 39.23 2k78 s ILE 70 CO 0.00 0.55 0.63 -0.89 -0.10 0.00 0.00 174.94 175.13 2k78 s THR 71 N 0.28 5.07 -0.08 2.92 2.01 -1.26 -2.37 115.64 122.21 2k78 s THR 71 Ca -0.13 1.25 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 2k78 s THR 71 Cb -0.17 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2k78 s THR 71 CO 0.07 0.22 0.11 0.68 -0.69 0.00 0.00 174.62 175.01 2k78 s VAL 72 N 1.16 5.15 0.04 3.82 -7.23 0.26 -3.35 120.40 120.25 2k78 s VAL 72 Ca 0.32 -0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.44 2k78 s VAL 72 Cb -0.16 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 2k78 s VAL 72 CO 0.14 0.52 0.21 0.20 -0.31 0.00 0.00 175.10 175.86 2k78 s ASN 73 N -1.27 6.37 -0.17 4.85 0.01 -1.17 -2.55 114.94 121.01 2k78 s ASN 73 Ca 0.18 0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 52.63 2k78 s ASN 73 Cb -0.12 -1.98 0.01 0.00 0.41 0.00 0.00 41.25 39.56 2k78 s ASN 73 CO 0.08 0.20 0.04 1.41 -1.51 0.00 0.00 177.10 177.32 2k78 n HIS 74 N 0.54 -2.59 0.08 2.20 8.25 -0.20 -4.22 115.22 119.27 2k78 n HIS 74 Ca -0.07 1.24 0.17 0.00 -0.26 0.00 0.00 57.72 58.80 2k78 n HIS 74 Cb 0.52 -2.88 0.68 0.00 1.12 0.00 0.00 29.99 29.43 2k78 n HIS 74 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k78 h SER 75 N 3.56 0.00 0.15 0.41 0.87 -1.77 -2.32 113.55 114.44 2k78 h SER 75 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2k78 h SER 75 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2k78 h SER 75 CO 0.05 0.00 -0.07 -0.74 -0.53 0.00 0.00 176.83 175.54 2k78 h HIS 76 N 0.00 -0.18 0.00 2.24 2.76 -1.86 -3.36 115.15 114.75 2k78 h HIS 76 Ca 0.18 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2k78 h HIS 76 Cb 0.73 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2k78 h HIS 76 CO 0.00 0.26 0.00 0.91 -1.30 0.00 0.00 177.93 177.80 2k78 n TRP 77 N -4.94 0.00 -3.02 5.26 7.02 -0.90 -3.58 117.44 117.28 2k78 n TRP 77 Ca -0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.98 2k78 n TRP 77 Cb 0.27 -0.48 -0.06 0.00 -2.42 0.00 0.00 31.31 28.62 2k78 n TRP 77 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 2k78 s ILE 78 N -2.91 4.85 -0.22 -0.99 2.07 -1.05 -3.13 121.20 119.82 2k78 s ILE 78 Ca 0.00 1.01 0.20 0.00 -1.41 0.00 0.00 60.65 60.45 2k78 s ILE 78 Cb 0.00 -4.09 0.01 0.00 0.13 0.00 0.00 42.46 38.51 2k78 s ILE 78 CO 0.00 -0.23 1.11 0.00 -1.91 0.00 0.00 174.94 173.91 2k78 h THR 79 N 5.59 0.28 -1.22 4.00 1.03 -1.48 -3.42 112.91 117.69 2k78 h THR 79 Ca -0.25 -1.49 0.37 0.00 -0.01 0.00 0.00 66.41 65.04 2k78 h THR 79 Cb 1.10 1.87 -0.13 0.00 -1.07 0.00 0.00 68.15 69.92 2k78 h THR 79 CO 0.85 0.16 0.94 -0.83 -0.01 0.00 0.00 175.52 176.63 2k78 s GLY 80 N -4.49 -0.46 -0.27 2.99 0.00 -1.12 -4.92 107.32 99.06 2k78 s GLY 80 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 2k78 s GLY 80 CO 0.77 0.58 0.43 1.06 0.00 0.00 0.00 173.10 175.94 2k78 s MET 81 N -2.14 0.40 0.58 2.90 -1.94 -1.26 -2.31 119.30 115.53 2k78 s MET 81 Ca 0.16 0.50 -0.06 0.00 -1.71 0.00 0.00 55.69 54.58 2k78 s MET 81 Cb 0.06 -0.26 0.00 0.00 2.01 0.00 0.00 34.83 36.64 2k78 s MET 81 CO -0.06 -0.75 0.90 0.45 -0.01 0.00 0.00 175.02 175.55 2k78 s SER 82 N 2.60 5.70 -0.10 3.03 0.15 0.51 -4.23 113.70 121.35 2k78 s SER 82 Ca 0.13 0.79 -0.17 0.00 0.70 0.00 0.00 55.95 57.40 2k78 s SER 82 Cb -0.14 -1.82 0.04 0.00 -1.71 0.00 0.00 66.02 62.38 2k78 s SER 82 CO -0.21 -1.00 0.43 -0.63 1.20 0.00 0.00 173.24 173.03 2k78 s ILE 83 N -2.98 0.02 -0.12 6.45 1.01 -0.37 -1.42 121.20 123.79 2k78 s ILE 83 Ca 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2k78 s ILE 83 Cb -0.11 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2k78 s ILE 83 CO 0.46 -0.09 0.00 1.21 0.00 0.00 0.00 174.94 176.52 2k78 n GLU 84 N 2.06 -1.50 -0.41 2.79 0.00 -0.96 -1.77 120.64 120.85 2k78 n GLU 84 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 57.16 57.42 2k78 n GLU 84 Cb 0.57 -4.58 0.00 0.00 0.00 0.00 0.00 31.44 27.42 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 -0.01 0.77 3.18 8.31 0.00 -1.26 -5.06 105.19 111.12 2k78 n GLY 85 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.95 1.14 1.61 -3.43 -0.73 -5.14 115.29 107.68 2k78 s HIS 86 Ca 0.00 -0.87 -0.18 0.00 -0.80 0.00 0.00 55.06 53.21 2k78 s HIS 86 Cb 0.00 -0.53 0.26 0.00 -1.43 0.00 0.00 32.58 30.88 2k78 s HIS 86 CO 0.00 -0.11 1.14 0.15 -2.00 0.00 0.00 174.74 173.92 2k78 s LYS 87 N -3.70 -0.73 0.42 -0.38 3.01 -1.26 -1.24 119.74 115.86 2k78 s LYS 87 Ca 0.12 -0.04 0.08 0.00 -1.01 0.00 0.00 55.97 55.11 2k78 s LYS 87 Cb 0.04 -1.65 -0.01 0.00 -1.01 0.00 0.00 37.83 35.20 2k78 s LYS 87 CO -0.04 -3.39 0.46 -1.83 0.51 0.00 0.00 175.35 171.06 2k78 s GLU 88 N -5.42 2.64 -0.15 1.68 -1.05 -1.26 -4.64 118.70 110.50 2k78 s GLU 88 Ca 0.70 -1.43 -0.02 0.00 -0.15 0.00 0.00 54.97 54.08 2k78 s GLU 88 Cb -0.10 -2.53 -0.02 0.00 -0.44 0.00 0.00 34.13 31.04 2k78 s GLU 88 CO 0.56 -0.24 -0.09 1.21 0.95 0.00 0.00 175.26 177.65 2k78 s ASN 89 N -4.23 4.32 -0.49 0.83 3.04 -1.25 -4.98 114.94 112.18 2k78 s ASN 89 Ca 0.51 -0.27 -0.27 0.00 0.04 0.00 0.00 52.86 52.87 2k78 s ASN 89 Cb -0.06 -1.69 -0.03 0.00 -1.54 0.00 0.00 41.25 37.93 2k78 s ASN 89 CO 0.30 0.14 1.92 0.27 -3.04 0.00 0.00 177.10 176.69 2k78 s ILE 90 N 0.53 3.34 -0.12 -5.21 -4.36 -1.26 -3.11 121.20 111.01 2k78 s ILE 90 Ca -0.06 0.27 0.17 0.00 -0.26 0.00 0.00 60.65 60.77 2k78 s ILE 90 Cb -0.15 -3.70 -0.21 0.00 1.25 0.00 0.00 42.46 39.65 2k78 s ILE 90 CO 0.03 -0.60 0.51 0.00 0.24 0.00 0.00 174.94 175.12 2k78 n ILE 91 N 7.40 1.19 -3.15 8.37 3.06 -0.80 -4.88 119.36 130.55 2k78 n ILE 91 Ca 0.24 -0.74 0.05 0.00 -2.50 0.00 0.00 62.75 59.79 2k78 n ILE 91 Cb 0.51 -0.62 -0.00 0.00 0.54 0.00 0.00 39.64 40.06 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 -5.60 -1.05 -0.47 9.51 0.01 -1.23 -4.98 113.70 109.89 2k78 s SER 92 Ca -0.06 0.16 -0.18 0.00 1.31 0.00 0.00 55.95 57.18 2k78 s SER 92 Cb 0.08 1.68 0.05 0.00 0.21 0.00 0.00 66.02 68.04 2k78 s SER 92 CO 0.83 -0.19 0.53 -0.75 0.41 0.00 0.00 173.24 174.07 2k78 s LYS 93 N 2.89 3.10 -1.15 12.44 2.20 -1.26 -2.06 119.74 135.90 2k78 s LYS 93 Ca 0.18 -0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 54.85 2k78 s LYS 93 Cb -0.07 -4.05 0.26 0.00 -1.51 0.00 0.00 37.83 32.46 2k78 s LYS 93 CO -0.24 -1.06 1.69 0.09 -0.36 0.00 0.00 175.35 175.47 2k78 n ASN 94 N 5.86 6.27 0.09 1.43 5.03 -0.49 -4.78 115.26 128.67 2k78 n ASN 94 Ca -0.07 -3.35 0.19 0.00 0.87 0.00 0.00 54.58 52.22 2k78 n ASN 94 Cb 0.46 -1.32 0.75 0.00 -1.02 0.00 0.00 39.78 38.64 2k78 n ASN 94 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 2k78 h THR 95 N 3.32 0.56 -0.22 3.41 2.02 -1.94 -1.01 112.91 119.05 2k78 h THR 95 Ca 0.32 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 2k78 h THR 95 Cb 0.56 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2k78 h THR 95 CO 1.41 0.00 0.10 0.00 0.37 0.00 0.00 175.52 177.41 2k78 h ALA 96 N 1.68 0.28 -0.52 6.16 0.00 -1.92 -2.65 119.26 122.30 2k78 h ALA 96 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k78 h ALA 96 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k78 h ALA 96 CO -0.00 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.72 2k78 n LYS 97 N -4.84 3.84 -3.60 0.00 4.76 -0.51 -4.94 118.16 112.87 2k78 n LYS 97 Ca -0.03 -2.56 -0.26 0.00 -2.87 0.00 0.00 58.31 52.59 2k78 n LYS 97 Cb 0.10 -1.99 0.05 0.00 -1.84 0.00 0.00 35.03 31.35 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 0.72 -4.76 -3.63 4.39 8.00 -0.50 -4.80 116.55 115.98 2k78 n ASP 98 Ca 0.23 -0.92 -0.12 0.00 0.71 0.00 0.00 54.79 54.69 2k78 n ASP 98 Cb 0.92 -3.88 -0.05 0.00 -0.02 0.00 0.00 41.12 38.09 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 -5.65 1.69 -0.03 -1.24 2.02 -0.75 -1.03 118.70 113.71 2k78 s GLU 99 Ca 0.38 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 2k78 s GLU 99 Cb -0.11 0.43 0.11 0.00 0.10 0.00 0.00 34.13 34.66 2k78 s GLU 99 CO 0.83 -0.69 1.03 0.50 0.02 0.00 0.00 175.26 176.95 2k78 s ARG 100 N -3.53 0.70 0.03 1.61 3.52 -1.06 -1.40 118.95 118.83 2k78 s ARG 100 Ca 0.29 -0.30 -0.03 0.00 -0.13 0.00 0.00 55.73 55.56 2k78 s ARG 100 Cb 0.01 0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 2k78 s ARG 100 CO 0.15 -0.31 0.04 0.99 -0.81 0.00 0.00 175.30 175.37 2k78 s THR 101 N -2.88 0.14 -0.04 4.11 2.01 -0.88 0.92 115.64 119.01 2k78 s THR 101 Ca 0.08 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 60.88 2k78 s THR 101 Cb -0.00 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.75 2k78 s THR 101 CO -0.05 -0.62 0.19 -0.94 -0.69 0.00 0.00 174.62 172.51 2k78 s SER 102 N -1.99 -0.12 0.03 3.53 1.04 -1.00 -1.90 113.70 113.29 2k78 s SER 102 Ca -0.07 0.14 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 2k78 s SER 102 Cb -0.03 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 2k78 s SER 102 CO -0.04 -0.23 0.41 -0.70 0.98 0.00 0.00 173.24 173.67 2k78 s GLU 103 N -0.63 3.87 0.00 4.02 2.12 -1.18 -1.55 118.70 125.36 2k78 s GLU 103 Ca -0.07 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.64 2k78 s GLU 103 Cb -0.04 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 2k78 s GLU 103 CO 0.01 0.64 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.18 2k78 s PHE 104 N -1.20 1.17 -0.20 5.30 0.08 0.33 -3.77 117.98 119.70 2k78 s PHE 104 Ca 0.27 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 2k78 s PHE 104 Cb -0.16 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 2k78 s PHE 104 CO 0.15 -0.00 0.08 -2.00 -0.10 0.00 0.00 175.22 173.35 2k78 s GLU 105 N -0.54 3.96 -0.02 0.44 2.12 -1.26 -1.23 118.70 122.17 2k78 s GLU 105 Ca 0.04 -0.35 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 2k78 s GLU 105 Cb -0.06 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.07 2k78 s GLU 105 CO -0.00 0.18 0.32 0.54 -0.54 0.00 0.00 175.26 175.76 2k78 s VAL 106 N 0.64 0.05 -0.52 3.70 0.11 -1.25 -4.88 120.40 118.24 2k78 s VAL 106 Ca 0.04 -0.44 -0.27 0.00 -2.93 0.00 0.00 61.98 58.38 2k78 s VAL 106 Cb -0.13 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2k78 s VAL 106 CO 0.01 -0.24 2.04 -0.44 -3.33 0.00 0.00 175.10 173.14 2k78 s SER 107 N -1.26 5.08 0.32 3.54 0.01 -1.26 -4.70 113.70 115.43 2k78 s SER 107 Ca -0.13 0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2k78 s SER 107 Cb -0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2k78 s SER 107 CO 0.04 -2.45 0.00 0.29 0.41 0.00 0.00 173.24 171.54 2k78 n LYS 108 N 9.02 -2.34 -3.00 12.44 4.76 -1.26 -4.81 118.16 132.98 2k78 n LYS 108 Ca 0.26 1.65 -0.17 0.00 -2.87 0.00 0.00 58.31 57.19 2k78 n LYS 108 Cb 0.52 -2.88 -0.02 0.00 -1.84 0.00 0.00 35.03 30.81 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k78 n LEU 109 N -3.59 -1.25 -3.02 -0.35 -0.00 -1.26 -5.00 117.00 102.52 2k78 n LEU 109 Ca -0.01 -4.05 -0.16 0.00 -0.00 0.00 0.00 56.01 51.79 2k78 n LEU 109 Cb 0.64 0.72 -0.00 0.00 -0.00 0.00 0.00 43.42 44.78 2k78 n LEU 109 CO 0.02 2.03 -0.06 -3.20 -0.00 0.00 0.00 177.39 176.17 2k78 n ASN 110 N 1.61 -0.61 0.00 1.45 5.15 -1.25 -2.14 115.26 119.47 2k78 n ASN 110 Ca 0.16 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 2k78 n ASN 110 Cb 0.57 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 2k78 n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k78 n GLY 111 N 0.83 -0.66 3.53 8.20 0.00 0.12 -4.80 105.19 112.41 2k78 n GLY 111 Ca 0.17 0.63 -0.12 0.00 0.00 0.00 0.00 46.02 46.70 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 0.70 0.06 1.61 2.36 -1.26 -1.76 119.74 121.45 2k78 s LYS 112 Ca 0.00 0.92 0.03 0.00 -2.55 0.00 0.00 55.97 54.37 2k78 s LYS 112 Cb 0.00 0.29 -0.03 0.00 -1.05 0.00 0.00 37.83 37.04 2k78 s LYS 112 CO 0.00 -0.10 -0.08 0.42 1.55 0.00 0.00 175.35 177.13 2k78 s ILE 113 N 0.63 0.65 -0.06 5.43 1.01 0.24 -4.96 121.20 124.14 2k78 s ILE 113 Ca -0.02 -1.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.05 2k78 s ILE 113 Cb -0.05 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 2k78 s ILE 113 CO -0.04 -0.45 1.18 -1.81 0.00 0.00 0.00 174.94 173.82 2k78 s ASP 114 N -1.89 7.07 0.39 3.58 1.01 -1.26 -1.56 116.67 124.01 2k78 s ASP 114 Ca -0.05 1.78 0.05 0.00 0.71 0.00 0.00 52.55 55.04 2k78 s ASP 114 Cb -0.07 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2k78 s ASP 114 CO -0.00 -0.57 0.18 -0.83 0.21 0.00 0.00 175.17 174.16 2k78 s GLY 115 N 1.43 2.54 0.16 0.21 0.00 -1.14 -2.28 107.32 108.25 2k78 s GLY 115 Ca 0.55 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 2k78 s GLY 115 CO 0.21 -1.71 0.15 0.54 0.00 0.00 0.00 173.10 172.29 2k78 s LYS 116 N -3.62 1.09 -0.24 2.90 1.02 -0.51 -3.05 119.74 117.33 2k78 s LYS 116 Ca 0.29 -1.42 -0.24 0.00 0.02 0.00 0.00 55.97 54.62 2k78 s LYS 116 Cb 0.02 0.29 0.07 0.00 -0.52 0.00 0.00 37.83 37.69 2k78 s LYS 116 CO 0.19 -0.35 0.68 -1.50 -0.92 0.00 0.00 175.35 173.44 2k78 s ILE 117 N -4.06 0.00 0.26 2.17 -1.16 0.40 0.19 121.20 119.00 2k78 s ILE 117 Ca 0.27 -0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.48 2k78 s ILE 117 Cb 0.06 -0.94 -0.04 0.00 0.61 0.00 0.00 42.46 42.15 2k78 s ILE 117 CO 0.05 -0.00 0.17 -1.81 -2.81 0.00 0.00 174.94 170.53 2k78 s ASP 118 N 0.27 5.29 0.04 4.50 1.11 -0.98 -0.11 116.67 126.78 2k78 s ASP 118 Ca -0.01 -0.37 0.02 0.00 0.18 0.00 0.00 52.55 52.37 2k78 s ASP 118 Cb -0.04 -1.24 -0.02 0.00 1.07 0.00 0.00 42.92 42.69 2k78 s ASP 118 CO 0.01 -0.07 -0.07 0.68 1.18 0.00 0.00 175.17 176.91 2k78 s VAL 119 N -2.20 0.43 -0.26 -1.27 -7.23 -1.02 -1.66 120.40 107.19 2k78 s VAL 119 Ca 0.33 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 2k78 s VAL 119 Cb -0.07 -0.52 0.15 0.00 0.56 0.00 0.00 36.38 36.50 2k78 s VAL 119 CO 0.24 -0.40 0.41 -0.47 -0.31 0.00 0.00 175.10 174.57 2k78 s TYR 120 N -1.37 -0.97 0.03 2.82 6.14 -1.18 -2.59 117.35 120.22 2k78 s TYR 120 Ca -0.11 0.74 0.01 0.00 0.64 0.00 0.00 57.07 58.35 2k78 s TYR 120 Cb -0.10 0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.27 2k78 s TYR 120 CO 0.00 -0.83 -0.05 0.42 0.64 0.00 0.00 175.55 175.73 2k78 s ILE 121 N 2.58 0.31 -0.34 3.14 1.09 0.20 -4.33 121.20 123.84 2k78 s ILE 121 Ca 0.12 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 58.86 2k78 s ILE 121 Cb -0.14 -0.40 0.19 0.00 -1.06 0.00 0.00 42.46 41.05 2k78 s ILE 121 CO -0.21 -0.37 0.61 1.51 -0.10 0.00 0.00 174.94 176.37 2k78 s ASP 122 N -1.33 -1.57 0.06 3.58 1.47 -1.25 -1.17 116.67 116.46 2k78 s ASP 122 Ca -0.11 -0.23 -0.23 0.00 1.18 0.00 0.00 52.55 53.15 2k78 s ASP 122 Cb -0.09 2.00 0.08 0.00 -0.34 0.00 0.00 42.92 44.57 2k78 s ASP 122 CO -0.00 -0.24 1.07 -1.84 0.68 0.00 0.00 175.17 174.83 2k78 n GLU 123 N 4.99 0.34 -3.27 2.11 -0.00 -1.11 -4.99 120.64 118.70 2k78 n GLU 123 Ca 0.08 -0.96 -0.45 0.00 -0.00 0.00 0.00 57.16 55.82 2k78 n GLU 123 Cb 0.55 1.43 -0.06 0.00 -0.00 0.00 0.00 31.44 33.36 2k78 n GLU 123 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2k78 s LYS 124 N -2.03 3.02 -0.77 3.44 1.02 -1.26 0.66 119.74 123.81 2k78 s LYS 124 Ca 0.25 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 54.56 2k78 s LYS 124 Cb -0.01 -4.22 0.02 0.00 -0.52 0.00 0.00 37.83 33.09 2k78 s LYS 124 CO 0.02 -1.27 1.50 0.08 -0.92 0.00 0.00 175.35 174.76 2k78 s VAL 125 N 1.98 3.65 -1.23 3.17 1.01 0.69 -3.91 120.40 125.76 2k78 s VAL 125 Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2k78 s VAL 125 Cb -0.26 -4.64 -0.00 0.00 0.00 0.00 0.00 36.38 31.48 2k78 s VAL 125 CO 0.06 -1.57 0.88 0.59 0.00 0.00 0.00 175.10 175.05 2k78 n ASN 126 N 10.47 -2.05 -1.35 3.32 5.03 -1.26 -2.49 115.26 126.93 2k78 n ASN 126 Ca 0.15 -0.71 -0.08 0.00 0.87 0.00 0.00 54.58 54.81 2k78 n ASN 126 Cb 0.50 -4.69 0.02 0.00 -1.02 0.00 0.00 39.78 34.59 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 -1.32 0.30 2.73 7.41 0.00 -1.25 -5.02 105.19 108.05 2k78 n GLY 127 Ca -0.28 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 -5.10 0.27 -0.26 1.61 -0.14 -1.04 -5.10 119.74 109.98 2k78 s LYS 128 Ca 0.14 -0.08 -0.38 0.00 -1.36 0.00 0.00 55.97 54.29 2k78 s LYS 128 Cb -0.06 -0.87 -0.14 0.00 -1.68 0.00 0.00 37.83 35.07 2k78 s LYS 128 CO 0.17 -0.91 1.87 -2.30 -0.76 0.00 0.00 175.35 173.42 2k78 n PRO 129 N 5.31 1.33 -3.82 -1.68 -0.02 -1.26 -0.22 135.00 134.64 2k78 n PRO 129 Ca -0.04 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 2k78 n PRO 129 Cb 0.47 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 2k78 n PRO 129 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2k78 s PHE 130 N 4.47 3.25 -0.39 6.00 0.40 0.21 -4.87 117.98 127.05 2k78 s PHE 130 Ca 1.00 -1.60 -0.10 0.00 -0.60 0.00 0.00 56.93 55.64 2k78 s PHE 130 Cb -0.96 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 40.43 2k78 s PHE 130 CO 0.60 -0.75 0.22 0.21 0.70 0.00 0.00 175.22 176.19 2k78 s LYS 131 N 1.34 2.69 -0.04 0.44 2.20 -1.26 -2.76 119.74 122.35 2k78 s LYS 131 Ca -0.03 -1.28 0.01 0.00 -0.36 0.00 0.00 55.97 54.31 2k78 s LYS 131 Cb -0.19 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.42 2k78 s LYS 131 CO 0.01 -0.83 -0.04 -0.47 -0.36 0.00 0.00 175.35 173.66 2k78 s TYR 132 N 1.47 0.73 -0.36 4.03 5.04 -0.32 -4.99 117.35 122.96 2k78 s TYR 132 Ca 0.02 -0.20 -0.06 0.00 -2.44 0.00 0.00 57.07 54.40 2k78 s TYR 132 Cb -0.21 -0.66 0.21 0.00 0.35 0.00 0.00 41.96 41.65 2k78 s TYR 132 CO 0.04 -0.19 1.05 0.16 -1.34 0.00 0.00 175.55 175.26 2k78 s ASP 133 N 0.95 -0.42 0.00 4.32 -4.77 -1.26 0.58 116.67 116.08 2k78 s ASP 133 Ca -0.11 -0.44 0.00 0.00 -3.30 0.00 0.00 52.55 48.71 2k78 s ASP 133 Cb -0.14 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 2k78 s ASP 133 CO -0.00 -0.02 0.00 1.57 0.70 0.00 0.00 175.17 177.42 2k78 n HIS 134 N 2.89 -0.04 -4.46 2.11 -0.00 -1.07 -5.01 115.22 109.64 2k78 n HIS 134 Ca 0.11 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 58.02 2k78 n HIS 134 Cb 0.64 0.00 -0.13 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 -2.58 2.05 0.36 1.57 -3.43 -1.26 -2.44 115.29 109.56 2k78 s HIS 135 Ca 0.00 -0.40 -0.09 0.00 -0.80 0.00 0.00 55.06 53.78 2k78 s HIS 135 Cb 0.00 -1.15 0.04 0.00 -1.43 0.00 0.00 32.58 30.04 2k78 s HIS 135 CO 0.00 0.23 0.63 0.66 -2.00 0.00 0.00 174.74 174.26 2k78 n TYR 136 N 1.23 -1.92 -4.00 0.38 4.01 0.84 -4.97 117.16 112.73 2k78 n TYR 136 Ca -0.18 -1.98 -0.10 0.00 -0.16 0.00 0.00 57.90 55.47 2k78 n TYR 136 Cb 0.53 0.73 -0.04 0.00 -0.31 0.00 0.00 39.34 40.25 2k78 n TYR 136 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k78 s ASN 137 N -3.02 0.17 0.30 7.72 4.22 -1.26 0.15 114.94 123.23 2k78 s ASN 137 Ca 0.21 -1.09 -0.17 0.00 -2.14 0.00 0.00 52.86 49.66 2k78 s ASN 137 Cb -0.03 0.63 0.02 0.00 1.28 0.00 0.00 41.25 43.15 2k78 s ASN 137 CO 0.15 -1.24 0.67 0.27 -2.04 0.00 0.00 177.10 174.91 2k78 s ILE 138 N -3.60 0.00 -0.20 0.54 -4.36 -1.17 -4.60 121.20 107.80 2k78 s ILE 138 Ca 0.24 -1.12 -0.18 0.00 -0.26 0.00 0.00 60.65 59.32 2k78 s ILE 138 Cb -0.01 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 2k78 s ILE 138 CO 0.12 0.00 0.52 -0.89 0.24 0.00 0.00 174.94 174.93 2k78 s THR 139 N -3.54 5.10 -0.54 8.37 2.01 -1.01 -2.86 115.64 123.16 2k78 s THR 139 Ca 0.15 0.96 -0.21 0.00 0.31 0.00 0.00 61.69 62.90 2k78 s THR 139 Cb -0.04 -3.84 0.06 0.00 0.01 0.00 0.00 72.50 68.68 2k78 s THR 139 CO 0.09 0.17 0.77 -0.31 -0.69 0.00 0.00 174.62 174.65 2k78 s TYR 140 N 1.66 2.92 -0.48 4.92 1.51 -0.60 -2.24 117.35 125.04 2k78 s TYR 140 Ca 0.24 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.71 2k78 s TYR 140 Cb -0.15 -3.83 0.06 0.00 -0.11 0.00 0.00 41.96 37.93 2k78 s TYR 140 CO 0.10 -1.22 0.48 0.21 -1.11 0.00 0.00 175.55 174.01 2k78 s LYS 141 N 3.19 3.04 0.36 -0.62 2.36 0.14 -0.59 119.74 127.63 2k78 s LYS 141 Ca 0.20 -1.13 -0.02 0.00 -2.55 0.00 0.00 55.97 52.47 2k78 s LYS 141 Cb -0.17 -4.11 -0.04 0.00 -1.05 0.00 0.00 37.83 32.46 2k78 s LYS 141 CO 0.13 -1.08 0.60 -0.06 1.55 0.00 0.00 175.35 176.49 2k78 s PHE 142 N 2.05 3.51 -0.26 4.03 0.08 -0.72 0.68 117.98 127.34 2k78 s PHE 142 Ca 0.09 0.51 -0.02 0.00 0.12 0.00 0.00 56.93 57.62 2k78 s PHE 142 Cb -0.22 -2.02 0.11 0.00 -0.57 0.00 0.00 43.02 40.32 2k78 s PHE 142 CO 0.09 0.05 0.25 -0.80 -0.10 0.00 0.00 175.22 174.71 2k78 s ASN 143 N -3.86 1.80 0.00 1.36 0.01 0.27 0.15 114.94 114.67 2k78 s ASN 143 Ca 0.42 -0.61 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2k78 s ASN 143 Cb -0.10 0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.91 2k78 s ASN 143 CO 0.37 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 176.19 2k78 n GLY 144 N 5.31 2.94 3.67 0.66 0.00 -0.91 -2.31 105.19 114.55 2k78 n GLY 144 Ca -0.04 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 2.97 4.20 -0.08 1.61 0.04 -1.26 -4.72 135.00 137.75 2k78 s PRO 145 Ca 0.00 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2k78 s PRO 145 Cb 0.00 -3.80 -0.24 0.00 0.04 0.00 0.00 34.50 30.49 2k78 s PRO 145 CO 0.00 -0.77 0.51 2.41 0.04 0.00 0.00 177.00 179.18 2k78 n THR 146 N 5.11 1.68 0.09 1.26 -1.04 -1.26 -4.38 114.28 115.74 2k78 n THR 146 Ca 0.16 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2k78 n THR 146 Cb 0.42 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 2k78 n THR 146 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k78 n ASP 147 N -3.23 -1.37 -3.72 8.00 2.03 -1.26 -4.99 116.55 112.01 2k78 n ASP 147 Ca -0.24 0.34 -0.26 0.00 0.52 0.00 0.00 54.79 55.15 2k78 n ASP 147 Cb 1.05 1.51 0.06 0.00 -0.72 0.00 0.00 41.12 43.02 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2k78 n VAL 148 N -2.91 -2.68 -1.42 5.18 0.31 -1.26 -4.84 118.33 110.71 2k78 n VAL 148 Ca 0.00 -0.01 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 2k78 n VAL 148 Cb 0.00 -3.56 -0.03 0.00 -0.91 0.00 0.00 33.84 29.35 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 -4.87 7.44 -1.64 3.52 0.00 -1.26 -5.25 120.51 118.46 2k78 n ALA 149 Ca 0.02 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.86 2k78 n ALA 149 Cb 0.55 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.74 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91