#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k78 n ALA 26 N 0.00 4.03 -1.77 -1.46 0.00 -1.26 -4.73 120.51 115.33 2k78 n ALA 26 Ca 0.00 -4.67 -0.18 0.00 0.00 0.00 0.00 53.44 48.59 2k78 n ALA 26 Cb 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 2k78 n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k78 n ASN 27 N 1.74 -5.20 -4.35 0.00 2.85 -1.26 -4.93 115.26 104.11 2k78 n ASN 27 Ca 0.24 0.31 -0.45 0.00 -0.11 0.00 0.00 54.58 54.57 2k78 n ASN 27 Cb 0.37 -4.28 -0.05 0.00 1.24 0.00 0.00 39.78 37.06 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 -2.74 3.54 0.00 5.20 0.00 -1.26 -4.97 121.76 121.53 2k78 s ALA 28 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.65 2k78 s ALA 28 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2k78 s ALA 28 CO 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 175.76 173.67 2k78 n ALA 29 N 5.67 0.00 -1.90 0.00 0.00 -1.26 -4.18 120.51 118.84 2k78 n ALA 29 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 2k78 n ALA 29 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 -4.43 -3.73 0.00 8.00 -1.26 -4.89 116.55 110.23 2k78 n ASP 30 Ca 0.00 0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.69 2k78 n ASP 30 Cb 0.00 -3.89 -0.02 0.00 -0.02 0.00 0.00 41.12 37.19 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2k78 s SER 31 N -2.20 -0.20 0.00 -2.24 0.15 -1.26 0.20 113.70 108.15 2k78 s SER 31 Ca 0.00 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2k78 s SER 31 Cb 0.00 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 2k78 s SER 31 CO 0.00 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.67 2k78 n GLY 32 N -0.47 0.30 3.52 9.45 0.00 -0.93 -4.96 105.19 112.10 2k78 n GLY 32 Ca -0.04 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.77 4.54 0.26 2.61 -4.23 -1.26 -1.09 115.64 114.70 2k78 s THR 33 Ca 0.00 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.71 2k78 s THR 33 Cb 0.00 -4.44 -0.05 0.00 1.34 0.00 0.00 72.50 69.36 2k78 s THR 33 CO 0.00 -0.94 0.49 -0.22 -0.54 0.00 0.00 174.62 173.41 2k78 s LEU 34 N 3.56 4.12 0.21 4.79 2.96 0.11 -4.90 118.68 129.52 2k78 s LEU 34 Ca 0.28 0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 54.45 2k78 s LEU 34 Cb -0.13 -3.36 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 2k78 s LEU 34 CO 0.19 -0.15 0.95 0.20 -1.32 0.00 0.00 176.35 176.22 2k78 s ASN 35 N -3.29 7.61 0.01 3.68 0.01 -1.03 -2.35 114.94 119.58 2k78 s ASN 35 Ca 0.41 1.91 -0.28 0.00 -0.71 0.00 0.00 52.86 54.20 2k78 s ASN 35 Cb -0.11 -2.60 0.10 0.00 0.41 0.00 0.00 41.25 39.05 2k78 s ASN 35 CO 0.30 0.10 0.84 -0.72 -1.51 0.00 0.00 177.10 176.12 2k78 s TYR 36 N -0.88 -0.38 0.01 2.20 1.13 -1.26 0.18 117.35 118.34 2k78 s TYR 36 Ca 0.43 0.27 -0.00 0.00 -1.41 0.00 0.00 57.07 56.36 2k78 s TYR 36 Cb -0.25 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 2k78 s TYR 36 CO 0.32 -0.58 0.02 -1.91 -2.51 0.00 0.00 175.55 170.89 2k78 n GLU 37 N -0.19 0.03 -4.23 -3.49 2.13 -1.04 -4.78 120.64 109.09 2k78 n GLU 37 Ca -0.10 -0.08 -0.14 0.00 0.66 0.00 0.00 57.16 57.49 2k78 n GLU 37 Cb 0.62 0.09 -0.09 0.00 0.27 0.00 0.00 31.44 32.33 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 -2.77 0.00 0.12 6.31 -7.23 -1.26 0.11 120.40 115.67 2k78 s VAL 38 Ca 0.01 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2k78 s VAL 38 Cb -0.00 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.45 2k78 s VAL 38 CO 0.01 0.00 0.31 -0.31 -0.31 0.00 0.00 175.10 174.80 2k78 s TYR 39 N -3.92 0.01 0.05 2.82 2.02 -0.95 -4.49 117.35 112.90 2k78 s TYR 39 Ca 0.40 -0.38 -0.31 0.00 -0.37 0.00 0.00 57.07 56.40 2k78 s TYR 39 Cb 0.05 0.10 -0.07 0.00 -0.40 0.00 0.00 41.96 41.65 2k78 s TYR 39 CO 0.17 -0.66 1.48 0.21 -1.57 0.00 0.00 175.55 175.19 2k78 s LYS 40 N -3.85 4.26 0.52 -0.62 2.47 -1.21 -2.31 119.74 119.00 2k78 s LYS 40 Ca 0.06 2.11 -0.22 0.00 -1.56 0.00 0.00 55.97 56.36 2k78 s LYS 40 Cb 0.03 -3.50 -0.06 0.00 -1.46 0.00 0.00 37.83 32.84 2k78 s LYS 40 CO -0.10 -0.60 1.20 0.98 0.16 0.00 0.00 175.35 177.00 2k78 n TYR 41 N 5.09 1.75 -0.77 4.03 9.36 -1.26 -1.22 117.16 134.13 2k78 n TYR 41 Ca 0.14 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.82 2k78 n TYR 41 Cb 0.42 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 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 -0.53 0.00 -0.90 2.98 5.15 -1.26 -4.93 115.26 115.77 2k78 n ASN 42 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2k78 n ASN 42 Cb 0.44 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 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 -2.06 -0.44 -2.24 -0.36 -5.08 114.28 102.11 2k78 n THR 43 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 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 -2.51 0.86 -3.81 3.42 3.02 -1.26 -4.64 115.26 110.34 2k78 n ASN 44 Ca 0.00 -2.34 -0.22 0.00 -0.03 0.00 0.00 54.58 52.00 2k78 n ASN 44 Cb 0.00 -0.30 -0.17 0.00 -0.61 0.00 0.00 39.78 38.70 2k78 n ASN 44 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k78 s ASP 45 N -1.87 1.29 -0.10 6.41 1.01 -1.26 -4.91 116.67 117.24 2k78 s ASP 45 Ca 0.22 -0.09 -0.36 0.00 0.71 0.00 0.00 52.55 53.02 2k78 s ASP 45 Cb 0.23 -0.42 -0.13 0.00 1.01 0.00 0.00 42.92 43.60 2k78 s ASP 45 CO -0.07 -0.14 1.76 0.35 0.21 0.00 0.00 175.17 177.27 2k78 n THR 46 N 4.73 0.39 0.00 -1.27 -2.24 -1.26 -3.34 114.28 111.29 2k78 n THR 46 Ca -0.14 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2k78 n THR 46 Cb 0.50 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2k78 n THR 46 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k78 n SER 47 N 5.57 2.25 0.00 3.42 7.64 -1.26 -4.89 113.62 126.34 2k78 n SER 47 Ca 0.23 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2k78 n SER 47 Cb 0.24 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 2k78 n SER 47 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k78 n ILE 48 N -0.75 0.00 -0.23 0.44 -0.00 -1.26 -4.85 119.36 112.71 2k78 n ILE 48 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 62.75 63.06 2k78 n ILE 48 Cb 0.00 -0.05 0.64 0.00 -0.00 0.00 0.00 39.64 40.23 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k78 h ALA 49 N 0.00 2.92 0.00 -1.39 0.00 -1.95 0.69 119.26 119.52 2k78 h ALA 49 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k78 h ALA 49 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k78 h ALA 49 CO 0.00 -1.52 0.00 0.27 0.00 0.00 0.00 179.25 178.00 2k78 n ASN 50 N -3.66 0.46 -1.32 0.00 6.94 -1.26 -1.29 115.26 115.13 2k78 n ASN 50 Ca 0.23 0.68 0.11 0.00 -0.02 0.00 0.00 54.58 55.57 2k78 n ASN 50 Cb 1.31 -0.75 0.31 0.00 -2.36 0.00 0.00 39.78 38.30 2k78 n ASN 50 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k78 n ASP 51 N -2.08 3.85 -0.29 0.53 8.00 0.24 -4.25 116.55 122.55 2k78 n ASP 51 Ca 0.00 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.44 2k78 n ASP 51 Cb 0.09 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 1.49 0.00 -3.86 1.24 4.02 -0.41 -5.05 117.16 114.59 2k78 n TYR 52 Ca 0.24 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.77 2k78 n TYR 52 Cb 0.62 0.03 -0.13 0.00 -0.02 0.00 0.00 39.34 39.84 2k78 n TYR 52 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2k78 s PHE 53 N 0.00 3.30 0.47 -0.72 2.19 -1.03 -3.01 117.98 119.18 2k78 s PHE 53 Ca 0.00 -1.85 -0.22 0.00 0.33 0.00 0.00 56.93 55.20 2k78 s PHE 53 Cb 0.00 -2.28 -0.08 0.00 -1.31 0.00 0.00 43.02 39.35 2k78 s PHE 53 CO 0.00 -0.81 1.10 1.21 1.83 0.00 0.00 175.22 178.55 2k78 s ASN 54 N 1.35 6.27 0.13 6.13 3.84 -1.21 -5.00 114.94 126.45 2k78 s ASN 54 Ca -0.03 2.13 -0.08 0.00 0.21 0.00 0.00 52.86 55.10 2k78 s ASN 54 Cb -0.20 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 37.90 2k78 s ASN 54 CO -0.01 -0.84 0.22 -1.59 -2.79 0.00 0.00 177.10 172.09 2k78 s LYS 55 N -2.88 1.01 0.78 0.43 -2.85 -1.26 -4.58 119.74 110.40 2k78 s LYS 55 Ca 0.65 -1.13 -0.13 0.00 -1.00 0.00 0.00 55.97 54.35 2k78 s LYS 55 Cb -0.23 0.35 0.19 0.00 -2.06 0.00 0.00 37.83 36.07 2k78 s LYS 55 CO 0.28 -0.35 0.90 -0.35 0.10 0.00 0.00 175.35 175.94 2k78 n PRO 56 N -0.14 -1.57 -3.43 1.78 -0.04 -1.26 -5.16 135.00 125.18 2k78 n PRO 56 Ca -0.10 -1.41 -0.19 0.00 -0.04 0.00 0.00 63.50 61.76 2k78 n PRO 56 Cb 0.63 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 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 -3.61 4.24 -0.35 0.55 0.00 -0.99 -4.91 121.76 116.68 2k78 s ALA 57 Ca 0.54 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2k78 s ALA 57 Cb -0.03 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2k78 s ALA 57 CO 0.39 -0.08 0.20 0.15 0.00 0.00 0.00 175.76 176.42 2k78 s LYS 58 N -4.18 3.08 0.38 0.00 1.02 -1.15 0.05 119.74 118.94 2k78 s LYS 58 Ca 0.46 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.57 2k78 s LYS 58 Cb -0.09 -3.72 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 2k78 s LYS 58 CO 0.31 -0.59 0.57 1.52 -0.92 0.00 0.00 175.35 176.23 2k78 s TYR 59 N 1.61 3.27 -0.22 3.18 1.13 -0.25 -0.67 117.35 125.39 2k78 s TYR 59 Ca 0.04 0.12 -0.13 0.00 -1.41 0.00 0.00 57.07 55.69 2k78 s TYR 59 Cb -0.18 -2.08 0.07 0.00 -1.10 0.00 0.00 41.96 38.67 2k78 s TYR 59 CO 0.07 -0.10 0.53 -1.50 -2.51 0.00 0.00 175.55 172.05 2k78 s ILE 60 N -2.36 -0.01 -0.12 -3.49 2.07 -1.08 -2.18 121.20 114.03 2k78 s ILE 60 Ca 0.44 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.70 2k78 s ILE 60 Cb -0.10 -0.78 0.05 0.00 0.13 0.00 0.00 42.46 41.76 2k78 s ILE 60 CO 0.35 0.02 0.06 -0.54 -1.91 0.00 0.00 174.94 172.92 2k78 s LYS 61 N 1.45 0.15 -1.11 3.50 1.02 0.13 0.40 119.74 125.27 2k78 s LYS 61 Ca -0.09 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.93 2k78 s LYS 61 Cb -0.07 -1.31 0.27 0.00 -0.52 0.00 0.00 37.83 36.20 2k78 s LYS 61 CO -0.15 -0.51 1.90 1.63 -0.92 0.00 0.00 175.35 177.30 2k78 n LYS 62 N 5.24 5.02 -2.94 1.68 5.02 -0.81 -4.36 118.16 127.00 2k78 n LYS 62 Ca -0.06 -4.33 -0.02 0.00 -2.02 0.00 0.00 58.31 51.88 2k78 n LYS 62 Cb 0.49 -2.54 -0.01 0.00 -0.02 0.00 0.00 35.03 32.95 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 0.76 -5.50 0.00 4.39 2.85 -1.26 -3.99 115.26 112.51 2k78 n ASN 63 Ca 0.47 1.06 0.00 0.00 -0.11 0.00 0.00 54.58 55.99 2k78 n ASN 63 Cb 0.27 -2.69 0.00 0.00 1.24 0.00 0.00 39.78 38.60 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k78 n GLY 64 N 2.21 3.41 3.30 8.20 0.00 -1.26 -5.03 105.19 116.02 2k78 n GLY 64 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.82 1.27 -0.23 1.61 -2.85 -1.26 -5.10 119.74 112.36 2k78 s LYS 65 Ca 0.00 -1.64 -0.28 0.00 -1.00 0.00 0.00 55.97 53.05 2k78 s LYS 65 Cb 0.00 -0.42 0.14 0.00 -2.06 0.00 0.00 37.83 35.50 2k78 s LYS 65 CO 0.00 -0.15 1.12 -0.48 0.10 0.00 0.00 175.35 175.94 2k78 s LEU 66 N -3.26 -0.31 0.00 2.77 2.34 -1.26 -1.93 118.68 117.03 2k78 s LEU 66 Ca 0.29 0.45 0.00 0.00 0.06 0.00 0.00 54.13 54.93 2k78 s LEU 66 Cb 0.06 1.66 0.00 0.00 -0.56 0.00 0.00 46.19 47.35 2k78 s LEU 66 CO 0.08 -0.20 0.00 -1.22 -1.06 0.00 0.00 176.35 173.95 2k78 n TYR 67 N 1.25 -0.00 -3.60 3.48 4.02 0.16 -3.85 117.16 118.62 2k78 n TYR 67 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.78 2k78 n TYR 67 Cb 0.57 0.00 -0.06 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 -1.15 -0.08 -0.17 -0.72 1.01 -0.13 -2.64 120.40 116.52 2k78 s VAL 68 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 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 0.18 0.00 0.00 0.00 0.00 175.10 175.28 2k78 s GLN 69 N 1.51 4.04 -0.15 2.72 1.03 0.15 0.79 119.66 129.75 2k78 s GLN 69 Ca -0.08 -0.10 -0.02 0.00 0.04 0.00 0.00 55.36 55.21 2k78 s GLN 69 Cb -0.04 -3.37 -0.02 0.00 0.03 0.00 0.00 33.01 29.62 2k78 s GLN 69 CO -0.15 0.40 -0.09 0.42 -2.54 0.00 0.00 175.29 173.33 2k78 s ILE 70 N 0.04 3.29 -0.14 3.63 1.09 0.12 -2.93 121.20 126.30 2k78 s ILE 70 Ca 0.12 -0.57 -0.21 0.00 -1.10 0.00 0.00 60.65 58.89 2k78 s ILE 70 Cb -0.12 -2.42 -0.03 0.00 -1.06 0.00 0.00 42.46 38.83 2k78 s ILE 70 CO 0.01 0.50 0.64 -0.89 -0.10 0.00 0.00 174.94 175.10 2k78 s THR 71 N 0.55 5.05 -0.02 2.92 2.01 -1.26 -2.21 115.64 122.68 2k78 s THR 71 Ca -0.06 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.17 2k78 s THR 71 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2k78 s THR 71 CO 0.03 0.19 0.11 0.68 -0.69 0.00 0.00 174.62 174.94 2k78 s VAL 72 N 1.34 4.97 -0.03 3.82 -7.23 0.36 -3.34 120.40 120.29 2k78 s VAL 72 Ca 0.32 -0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 2k78 s VAL 72 Cb -0.16 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2k78 s VAL 72 CO 0.13 0.39 0.21 0.20 -0.31 0.00 0.00 175.10 175.72 2k78 s ASN 73 N -1.67 6.44 -0.25 4.85 -0.87 -1.16 -2.86 114.94 119.41 2k78 s ASN 73 Ca 0.23 0.48 -0.00 0.00 -1.57 0.00 0.00 52.86 51.99 2k78 s ASN 73 Cb -0.12 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.05 2k78 s ASN 73 CO 0.13 0.29 0.01 1.41 -2.57 0.00 0.00 177.10 176.38 2k78 n HIS 74 N 1.27 -3.37 0.12 2.20 8.25 -0.88 -4.32 115.22 118.50 2k78 n HIS 74 Ca -0.13 1.52 0.15 0.00 -0.26 0.00 0.00 57.72 59.00 2k78 n HIS 74 Cb 0.53 -3.52 0.68 0.00 1.12 0.00 0.00 29.99 28.80 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 3.21 0.00 0.20 0.41 4.64 -1.82 -2.22 113.55 117.97 2k78 h SER 75 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2k78 h SER 75 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2k78 h SER 75 CO 0.08 0.00 -0.10 -0.74 -0.87 0.00 0.00 176.83 175.20 2k78 h HIS 76 N 0.00 -0.25 0.43 4.77 -0.00 -1.91 -3.29 115.15 114.90 2k78 h HIS 76 Ca 0.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2k78 h HIS 76 Cb 0.58 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 2k78 h HIS 76 CO 0.00 0.09 -0.32 -1.49 -0.00 0.00 0.00 177.93 176.21 2k78 h TRP 77 N -0.63 -0.84 -3.48 5.26 6.55 -1.66 -3.38 115.95 117.78 2k78 h TRP 77 Ca -0.03 -0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.20 2k78 h TRP 77 Cb 0.45 0.31 -0.11 0.00 -0.86 0.00 0.00 29.16 28.95 2k78 h TRP 77 CO 0.03 -0.47 0.33 -1.50 -1.05 0.00 0.00 178.44 175.79 2k78 s ILE 78 N -6.04 4.81 -0.18 1.49 1.10 -0.89 -3.19 121.20 118.31 2k78 s ILE 78 Ca -0.17 1.04 0.18 0.00 -0.51 0.00 0.00 60.65 61.19 2k78 s ILE 78 Cb 0.05 -4.13 -0.01 0.00 0.15 0.00 0.00 42.46 38.52 2k78 s ILE 78 CO 0.63 -0.27 1.11 0.00 -2.11 0.00 0.00 174.94 174.30 2k78 h THR 79 N 5.62 0.47 0.00 4.00 1.03 -1.62 -3.42 112.91 118.99 2k78 h THR 79 Ca -0.25 -1.79 0.00 0.00 -0.01 0.00 0.00 66.41 64.36 2k78 h THR 79 Cb 1.10 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 70.22 2k78 h THR 79 CO 0.87 0.27 0.00 0.61 -0.01 0.00 0.00 175.52 177.26 2k78 n GLY 80 N 1.28 -0.98 3.45 2.99 0.00 -1.06 -4.95 105.19 105.93 2k78 n GLY 80 Ca -0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 2k78 n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k78 s MET 81 N -2.00 1.31 -0.05 1.61 -1.94 -1.26 -2.63 119.30 114.34 2k78 s MET 81 Ca 0.00 -1.06 -0.22 0.00 -1.71 0.00 0.00 55.69 52.70 2k78 s MET 81 Cb 0.00 0.45 0.05 0.00 2.01 0.00 0.00 34.83 37.34 2k78 s MET 81 CO 0.00 -0.52 0.49 -1.12 -0.01 0.00 0.00 175.02 173.86 2k78 s SER 82 N -2.94 -0.43 0.04 3.03 0.01 0.43 -2.99 113.70 110.85 2k78 s SER 82 Ca 0.15 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2k78 s SER 82 Cb 0.01 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 2k78 s SER 82 CO 0.00 -0.49 -0.04 -0.63 0.41 0.00 0.00 173.24 172.50 2k78 s ILE 83 N -1.08 0.23 -0.75 1.44 1.01 -0.83 0.00 121.20 121.22 2k78 s ILE 83 Ca -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.29 2k78 s ILE 83 Cb -0.03 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2k78 s ILE 83 CO 0.06 -0.65 0.00 -0.62 0.00 0.00 0.00 174.94 173.73 2k78 n GLU 84 N 1.06 -1.66 -0.90 2.79 1.02 -1.20 -1.51 120.64 120.24 2k78 n GLU 84 Ca -0.20 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2k78 n GLU 84 Cb 0.57 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.91 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k78 n GLY 85 N 0.21 0.57 3.18 0.62 0.00 -1.26 -5.06 105.19 103.46 2k78 n GLY 85 Ca -0.07 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 0.96 1.02 1.61 -3.43 -0.57 -5.12 115.29 107.76 2k78 s HIS 86 Ca 0.00 -1.04 -0.14 0.00 -0.80 0.00 0.00 55.06 53.09 2k78 s HIS 86 Cb 0.00 -0.56 0.20 0.00 -1.43 0.00 0.00 32.58 30.79 2k78 s HIS 86 CO 0.00 -0.28 1.11 0.15 -2.00 0.00 0.00 174.74 173.72 2k78 s LYS 87 N -3.92 0.23 0.43 -0.38 3.01 -1.26 -1.97 119.74 115.88 2k78 s LYS 87 Ca 0.18 0.33 0.08 0.00 -1.01 0.00 0.00 55.97 55.55 2k78 s LYS 87 Cb 0.06 -1.73 0.01 0.00 -1.01 0.00 0.00 37.83 35.16 2k78 s LYS 87 CO -0.01 -2.82 0.57 -1.83 0.51 0.00 0.00 175.35 171.77 2k78 s GLU 88 N -5.13 2.79 -0.09 1.68 -1.05 -1.16 -4.66 118.70 111.08 2k78 s GLU 88 Ca 0.66 -1.28 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 2k78 s GLU 88 Cb -0.16 -2.73 -0.03 0.00 -0.44 0.00 0.00 34.13 30.77 2k78 s GLU 88 CO 0.56 -0.29 -0.03 1.21 0.95 0.00 0.00 175.26 177.66 2k78 s ASN 89 N -4.35 4.97 -0.56 0.83 3.04 -1.20 -4.95 114.94 112.72 2k78 s ASN 89 Ca 0.55 0.04 -0.27 0.00 0.04 0.00 0.00 52.86 53.23 2k78 s ASN 89 Cb -0.09 -1.43 -0.03 0.00 -1.54 0.00 0.00 41.25 38.16 2k78 s ASN 89 CO 0.33 0.33 1.94 0.27 -3.04 0.00 0.00 177.10 176.93 2k78 s ILE 90 N -0.63 3.32 -0.13 -5.21 -5.25 -1.26 -2.89 121.20 109.15 2k78 s ILE 90 Ca 0.10 0.20 0.12 0.00 -0.99 0.00 0.00 60.65 60.08 2k78 s ILE 90 Cb -0.12 -3.77 -0.24 0.00 2.95 0.00 0.00 42.46 41.29 2k78 s ILE 90 CO 0.02 -0.72 0.34 0.00 -1.79 0.00 0.00 174.94 172.79 2k78 n ILE 91 N 7.35 1.54 -3.13 8.37 3.06 -0.80 -4.89 119.36 130.86 2k78 n ILE 91 Ca 0.23 -0.78 0.04 0.00 -2.50 0.00 0.00 62.75 59.74 2k78 n ILE 91 Cb 0.52 -0.94 -0.00 0.00 0.54 0.00 0.00 39.64 39.76 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 -6.01 -1.12 -0.06 9.51 0.01 -1.17 -4.97 113.70 109.89 2k78 s SER 92 Ca -0.11 0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 2k78 s SER 92 Cb 0.07 1.65 -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 0.00 173.24 173.85 2k78 s LYS 93 N 2.71 3.91 -0.36 12.44 2.20 -1.26 -1.93 119.74 137.45 2k78 s LYS 93 Ca 0.17 0.25 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 2k78 s LYS 93 Cb -0.06 -3.26 0.14 0.00 -1.51 0.00 0.00 37.83 33.14 2k78 s LYS 93 CO -0.22 0.60 0.26 1.21 -0.36 0.00 0.00 175.35 176.84 2k78 s ASN 94 N -0.69 2.39 0.24 1.43 3.04 -0.17 -4.97 114.94 116.21 2k78 s ASN 94 Ca 0.21 -1.99 0.08 0.00 0.04 0.00 0.00 52.86 51.19 2k78 s ASN 94 Cb -0.15 -0.09 0.26 0.00 -1.54 0.00 0.00 41.25 39.73 2k78 s ASN 94 CO 0.10 -0.29 1.56 0.74 -3.04 0.00 0.00 177.10 176.16 2k78 h THR 95 N 5.03 1.45 -0.43 -5.21 2.02 -1.96 0.14 112.91 113.95 2k78 h THR 95 Ca 0.06 -2.20 -0.02 0.00 0.77 0.00 0.00 66.41 65.02 2k78 h THR 95 Cb 1.00 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 2k78 h THR 95 CO 0.24 0.64 0.19 0.00 0.37 0.00 0.00 175.52 176.96 2k78 h ALA 96 N 1.27 0.56 -0.56 6.16 0.00 -1.93 -2.56 119.26 122.18 2k78 h ALA 96 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k78 h ALA 96 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k78 h ALA 96 CO 0.09 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.11 2k78 n LYS 97 N -4.64 2.32 -3.54 0.00 4.76 -1.21 -4.95 118.16 110.89 2k78 n LYS 97 Ca 0.01 -2.04 -0.25 0.00 -2.87 0.00 0.00 58.31 53.15 2k78 n LYS 97 Cb 0.13 -1.44 0.05 0.00 -1.84 0.00 0.00 35.03 31.93 2k78 n LYS 97 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2k78 n ASP 98 N 1.16 -5.33 -3.88 4.39 -0.08 -0.59 -4.88 116.55 107.35 2k78 n ASP 98 Ca 0.19 -0.89 -0.09 0.00 -1.51 0.00 0.00 54.79 52.48 2k78 n ASP 98 Cb 0.48 -4.07 -0.07 0.00 2.34 0.00 0.00 41.12 39.81 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2k78 s GLU 99 N -5.45 1.01 -0.12 -0.67 2.02 0.39 -2.06 118.70 113.82 2k78 s GLU 99 Ca 0.42 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 2k78 s GLU 99 Cb -0.12 0.37 0.10 0.00 0.10 0.00 0.00 34.13 34.59 2k78 s GLU 99 CO 0.82 -0.35 0.85 1.03 0.02 0.00 0.00 175.26 177.63 2k78 s ARG 100 N -3.90 0.80 0.04 1.61 0.52 -1.14 -0.99 118.95 115.89 2k78 s ARG 100 Ca 0.10 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.51 2k78 s ARG 100 Cb 0.04 0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.87 2k78 s ARG 100 CO -0.06 -0.24 0.04 0.99 0.02 0.00 0.00 175.30 176.04 2k78 s THR 101 N -1.06 0.15 -0.03 0.02 2.01 -0.81 0.14 115.64 116.04 2k78 s THR 101 Ca -0.06 -1.21 -0.10 0.00 0.31 0.00 0.00 61.69 60.63 2k78 s THR 101 Cb -0.01 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.63 2k78 s THR 101 CO 0.05 -0.67 0.23 -0.94 -0.69 0.00 0.00 174.62 172.60 2k78 s SER 102 N -2.15 -0.13 0.16 3.53 1.04 -0.94 -1.90 113.70 113.31 2k78 s SER 102 Ca -0.05 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 2k78 s SER 102 Cb -0.01 0.34 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 2k78 s SER 102 CO -0.05 -0.30 0.50 -0.70 0.98 0.00 0.00 173.24 173.67 2k78 s GLU 103 N -0.87 3.84 -0.01 4.02 2.12 -1.14 -0.70 118.70 125.96 2k78 s GLU 103 Ca -0.10 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.58 2k78 s GLU 103 Cb -0.05 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 2k78 s GLU 103 CO 0.02 0.44 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.99 2k78 s PHE 104 N -1.59 1.15 -0.21 5.30 0.08 0.24 -3.24 117.98 119.71 2k78 s PHE 104 Ca 0.40 -0.22 -0.13 0.00 0.12 0.00 0.00 56.93 57.10 2k78 s PHE 104 Cb -0.13 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 2k78 s PHE 104 CO 0.20 -0.02 0.26 -2.00 -0.10 0.00 0.00 175.22 173.56 2k78 s GLU 105 N -0.32 4.16 -0.04 0.44 2.12 -1.26 -0.96 118.70 122.84 2k78 s GLU 105 Ca 0.05 -0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.20 2k78 s GLU 105 Cb -0.05 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.87 2k78 s GLU 105 CO -0.00 0.10 0.32 0.54 -0.54 0.00 0.00 175.26 175.67 2k78 s VAL 106 N 0.92 0.04 -0.59 3.70 0.11 -1.25 -4.83 120.40 118.51 2k78 s VAL 106 Ca 0.13 -0.36 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 2k78 s VAL 106 Cb -0.13 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2k78 s VAL 106 CO 0.05 -0.20 1.96 -0.44 -3.33 0.00 0.00 175.10 173.14 2k78 s SER 107 N -0.99 5.12 0.38 3.54 0.01 -1.26 -4.72 113.70 115.78 2k78 s SER 107 Ca -0.11 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.62 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 0.03 -2.47 0.00 0.29 0.41 0.00 0.00 173.24 171.50 2k78 n LYS 108 N 9.16 -2.49 -3.09 12.44 4.76 -1.26 -4.85 118.16 132.83 2k78 n LYS 108 Ca 0.23 1.84 -0.16 0.00 -2.87 0.00 0.00 58.31 57.35 2k78 n LYS 108 Cb 0.53 -3.08 -0.05 0.00 -1.84 0.00 0.00 35.03 30.59 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 -3.81 -1.84 -3.08 -0.35 -0.00 -1.26 -5.03 117.00 101.63 2k78 n LEU 109 Ca -0.03 -3.72 -0.19 0.00 -0.00 0.00 0.00 56.01 52.07 2k78 n LEU 109 Cb 0.65 0.65 -0.04 0.00 -0.00 0.00 0.00 43.42 44.68 2k78 n LEU 109 CO 0.02 1.91 -0.15 -3.20 -0.00 0.00 0.00 177.39 175.97 2k78 n ASN 110 N 2.78 -0.94 0.00 1.45 2.85 -1.25 -1.89 115.26 118.26 2k78 n ASN 110 Ca 0.24 -2.82 0.00 0.00 -0.11 0.00 0.00 54.58 51.88 2k78 n ASN 110 Cb 0.52 0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.70 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 1.75 -1.27 3.49 8.20 0.00 0.12 -4.89 105.19 112.59 2k78 n GLY 111 Ca 0.19 0.51 -0.16 0.00 0.00 0.00 0.00 46.02 46.56 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 0.87 -0.01 1.61 2.36 -1.26 -2.32 119.74 120.98 2k78 s LYS 112 Ca 0.00 0.46 0.01 0.00 -2.55 0.00 0.00 55.97 53.90 2k78 s LYS 112 Cb 0.00 0.41 0.00 0.00 -1.05 0.00 0.00 37.83 37.19 2k78 s LYS 112 CO 0.00 -0.21 -0.04 0.42 1.55 0.00 0.00 175.35 177.07 2k78 s ILE 113 N -0.56 0.37 -0.47 5.43 -1.09 0.11 -4.96 121.20 120.04 2k78 s ILE 113 Ca -0.07 -0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2k78 s ILE 113 Cb -0.03 -0.34 0.01 0.00 -1.58 0.00 0.00 42.46 40.53 2k78 s ILE 113 CO 0.05 0.12 1.37 -1.81 -1.23 0.00 0.00 174.94 173.45 2k78 s ASP 114 N 0.11 6.31 0.33 3.58 1.01 -1.26 -0.48 116.67 126.27 2k78 s ASP 114 Ca -0.01 0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.86 2k78 s ASP 114 Cb -0.04 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 2k78 s ASP 114 CO -0.00 -1.50 0.00 0.61 0.21 0.00 0.00 175.17 174.50 2k78 n GLY 115 N 5.11 3.77 3.30 0.21 0.00 -1.14 -3.25 105.19 113.19 2k78 n GLY 115 Ca 0.15 -2.30 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.21 1.18 -0.19 1.61 1.02 0.10 -3.03 119.74 117.22 2k78 s LYS 116 Ca 0.01 -1.36 -0.23 0.00 0.02 0.00 0.00 55.97 54.40 2k78 s LYS 116 Cb 0.00 0.33 0.06 0.00 -0.52 0.00 0.00 37.83 37.71 2k78 s LYS 116 CO 0.00 -0.41 0.63 -1.50 -0.92 0.00 0.00 175.35 173.15 2k78 s ILE 117 N -4.04 0.00 0.18 2.17 -1.16 0.68 0.16 121.20 119.20 2k78 s ILE 117 Ca 0.25 -0.02 0.05 0.00 -0.51 0.00 0.00 60.65 60.42 2k78 s ILE 117 Cb 0.05 -0.89 -0.04 0.00 0.61 0.00 0.00 42.46 42.18 2k78 s ILE 117 CO 0.05 -0.01 0.17 -1.81 -2.81 0.00 0.00 174.94 170.53 2k78 s ASP 118 N -0.02 5.66 0.06 4.50 1.11 -1.08 -1.01 116.67 125.90 2k78 s ASP 118 Ca -0.03 -0.10 0.02 0.00 0.18 0.00 0.00 52.55 52.63 2k78 s ASP 118 Cb -0.04 -1.52 -0.03 0.00 1.07 0.00 0.00 42.92 42.41 2k78 s ASP 118 CO 0.03 0.04 -0.08 -0.69 1.18 0.00 0.00 175.17 175.66 2k78 s VAL 119 N -1.82 0.61 -0.27 -1.27 1.01 -0.95 -2.24 120.40 115.48 2k78 s VAL 119 Ca 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2k78 s VAL 119 Cb -0.10 -1.01 0.15 0.00 0.00 0.00 0.00 36.38 35.42 2k78 s VAL 119 CO 0.25 -0.56 0.39 -0.47 0.00 0.00 0.00 175.10 174.70 2k78 s TYR 120 N -2.20 -0.88 0.07 5.22 5.04 -1.19 -2.85 117.35 120.55 2k78 s TYR 120 Ca -0.02 0.45 0.04 0.00 -2.44 0.00 0.00 57.07 55.10 2k78 s TYR 120 Cb -0.04 -0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.11 2k78 s TYR 120 CO -0.01 -0.88 -0.11 0.42 -1.34 0.00 0.00 175.55 173.62 2k78 s ILE 121 N 2.52 0.87 -0.29 3.14 1.01 0.25 -4.50 121.20 124.20 2k78 s ILE 121 Ca 0.11 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 59.53 2k78 s ILE 121 Cb -0.14 -0.95 0.20 0.00 0.01 0.00 0.00 42.46 41.57 2k78 s ILE 121 CO -0.25 -0.35 0.57 1.51 0.00 0.00 0.00 174.94 176.42 2k78 s ASP 122 N -1.81 -1.40 0.02 3.58 1.47 -1.25 -1.01 116.67 116.26 2k78 s ASP 122 Ca -0.04 0.12 -0.29 0.00 1.18 0.00 0.00 52.55 53.53 2k78 s ASP 122 Cb -0.09 1.93 0.11 0.00 -0.34 0.00 0.00 42.92 44.53 2k78 s ASP 122 CO 0.01 -0.31 1.20 -1.83 0.68 0.00 0.00 175.17 174.93 2k78 s GLU 123 N 2.80 0.59 -0.97 2.11 -1.05 -1.16 -5.00 118.70 116.02 2k78 s GLU 123 Ca 0.10 -0.32 -0.22 0.00 -0.15 0.00 0.00 54.97 54.38 2k78 s GLU 123 Cb -0.10 0.20 0.07 0.00 -0.44 0.00 0.00 34.13 33.86 2k78 s GLU 123 CO -0.26 -0.27 1.34 0.15 0.95 0.00 0.00 175.26 177.16 2k78 s LYS 124 N -2.64 3.57 0.13 -4.83 1.02 -1.26 -0.84 119.74 114.89 2k78 s LYS 124 Ca 0.13 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 2k78 s LYS 124 Cb 0.03 -5.16 -0.07 0.00 -0.52 0.00 0.00 37.83 32.12 2k78 s LYS 124 CO -0.02 -2.07 1.05 0.54 -0.92 0.00 0.00 175.35 173.92 2k78 s VAL 125 N 4.34 4.18 -0.96 3.17 0.11 0.33 -3.27 120.40 128.30 2k78 s VAL 125 Ca 0.41 1.81 0.00 0.00 -2.93 0.00 0.00 61.98 61.27 2k78 s VAL 125 Cb -0.02 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2k78 s VAL 125 CO -0.08 0.28 0.00 -3.20 -3.33 0.00 0.00 175.10 168.76 2k78 n ASN 126 N 2.72 -3.05 -0.04 3.54 4.05 -1.26 0.70 115.26 121.92 2k78 n ASN 126 Ca 0.03 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.31 2k78 n ASN 126 Cb 0.48 -2.76 0.00 0.00 1.23 0.00 0.00 39.78 38.73 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 -0.49 0.62 3.04 8.20 0.00 -1.20 -5.06 105.19 110.29 2k78 n GLY 127 Ca -0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.68 0.19 -0.00 1.61 1.02 0.22 -5.06 119.74 114.03 2k78 s LYS 128 Ca 0.00 0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 2k78 s LYS 128 Cb 0.00 0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.31 2k78 s LYS 128 CO 0.00 -0.04 1.87 -1.25 -0.92 0.00 0.00 175.35 175.01 2k78 s PRO 129 N 0.19 4.13 -0.25 -1.68 0.04 -1.26 0.12 135.00 136.29 2k78 s PRO 129 Ca -0.01 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2k78 s PRO 129 Cb -0.02 -4.11 0.04 0.00 0.04 0.00 0.00 34.50 30.45 2k78 s PRO 129 CO -0.00 -0.95 -0.10 0.12 0.04 0.00 0.00 177.00 176.11 2k78 s PHE 130 N 4.43 3.11 -0.36 0.56 5.36 -0.02 -4.86 117.98 126.20 2k78 s PHE 130 Ca 0.84 -1.91 -0.11 0.00 -0.96 0.00 0.00 56.93 54.79 2k78 s PHE 130 Cb -0.39 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.32 2k78 s PHE 130 CO 0.37 -0.81 0.19 0.21 -1.46 0.00 0.00 175.22 173.73 2k78 s LYS 131 N 1.22 2.90 -0.21 10.12 2.20 -1.26 -2.98 119.74 131.74 2k78 s LYS 131 Ca -0.03 -1.03 0.01 0.00 -0.36 0.00 0.00 55.97 54.57 2k78 s LYS 131 Cb -0.18 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2k78 s LYS 131 CO -0.06 -0.65 -0.11 -0.47 -0.36 0.00 0.00 175.35 173.70 2k78 s TYR 132 N 1.56 2.56 -0.43 4.03 5.04 -0.18 -4.97 117.35 124.95 2k78 s TYR 132 Ca 0.02 -1.71 0.07 0.00 -2.44 0.00 0.00 57.07 53.02 2k78 s TYR 132 Cb -0.19 -1.69 0.18 0.00 0.35 0.00 0.00 41.96 40.61 2k78 s TYR 132 CO 0.06 -0.77 0.67 0.34 -1.34 0.00 0.00 175.55 174.52 2k78 s ASP 133 N 1.35 -1.47 0.12 4.32 -1.08 -1.25 0.88 116.67 119.53 2k78 s ASP 133 Ca -0.02 -1.00 -0.03 0.00 -0.52 0.00 0.00 52.55 50.98 2k78 s ASP 133 Cb -0.17 1.89 0.01 0.00 -1.46 0.00 0.00 42.92 43.19 2k78 s ASP 133 CO -0.08 -0.13 0.20 1.57 0.52 0.00 0.00 175.17 177.25 2k78 n HIS 134 N 4.00 -1.09 -3.87 -5.34 -0.00 -1.13 -5.01 115.22 102.78 2k78 n HIS 134 Ca 0.13 -0.65 -0.31 0.00 0.46 0.00 0.00 57.72 57.35 2k78 n HIS 134 Cb 0.57 0.23 -0.12 0.00 -0.12 0.00 0.00 29.99 30.55 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 -5.67 3.42 0.80 1.57 2.46 -1.26 -2.23 115.29 114.38 2k78 s HIS 135 Ca 0.07 -3.16 -0.08 0.00 0.47 0.00 0.00 55.06 52.36 2k78 s HIS 135 Cb -0.01 -2.88 0.17 0.00 -0.13 0.00 0.00 32.58 29.74 2k78 s HIS 135 CO 0.05 -0.69 1.09 0.66 -2.47 0.00 0.00 174.74 173.39 2k78 n TYR 136 N 2.69 -3.53 -3.95 3.88 4.01 -0.18 -4.86 117.16 115.21 2k78 n TYR 136 Ca 0.12 -1.34 -0.09 0.00 -0.16 0.00 0.00 57.90 56.43 2k78 n TYR 136 Cb 0.34 -0.83 -0.06 0.00 -0.31 0.00 0.00 39.34 38.49 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 -5.18 -0.08 0.36 7.72 2.20 -1.26 -0.23 114.94 118.47 2k78 s ASN 137 Ca 0.66 -0.86 -0.14 0.00 -0.94 0.00 0.00 52.86 51.59 2k78 s ASN 137 Cb -0.03 0.54 0.04 0.00 -2.00 0.00 0.00 41.25 39.80 2k78 s ASN 137 CO 0.45 -1.06 0.71 0.27 -2.94 0.00 0.00 177.10 174.53 2k78 s ILE 138 N -3.99 0.00 -0.24 0.54 -4.36 -1.17 -4.54 121.20 107.45 2k78 s ILE 138 Ca 0.20 -1.14 -0.19 0.00 -0.26 0.00 0.00 60.65 59.26 2k78 s ILE 138 Cb 0.00 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2k78 s ILE 138 CO 0.05 0.00 0.54 -0.89 0.24 0.00 0.00 174.94 174.88 2k78 s THR 139 N -2.74 5.06 -0.65 8.37 2.01 -0.98 -2.88 115.64 123.83 2k78 s THR 139 Ca 0.18 0.96 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 2k78 s THR 139 Cb -0.04 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.69 2k78 s THR 139 CO 0.12 0.10 0.91 -0.31 -0.69 0.00 0.00 174.62 174.75 2k78 s TYR 140 N 2.16 2.74 0.47 4.92 1.51 0.37 -2.24 117.35 127.28 2k78 s TYR 140 Ca 0.23 -0.64 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 2k78 s TYR 140 Cb -0.16 -4.24 -0.07 0.00 -0.11 0.00 0.00 41.96 37.39 2k78 s TYR 140 CO 0.09 -1.58 0.90 0.21 -1.11 0.00 0.00 175.55 174.06 2k78 s LYS 141 N 3.77 3.86 -0.03 -0.62 2.36 0.29 0.07 119.74 129.44 2k78 s LYS 141 Ca 0.20 0.74 -0.13 0.00 -2.55 0.00 0.00 55.97 54.23 2k78 s LYS 141 Cb -0.18 -2.24 0.02 0.00 -1.05 0.00 0.00 37.83 34.38 2k78 s LYS 141 CO 0.09 -0.19 0.28 -0.06 1.55 0.00 0.00 175.35 177.03 2k78 s PHE 142 N -2.54 -0.18 -0.30 4.03 0.08 -0.98 -2.49 117.98 115.60 2k78 s PHE 142 Ca 0.56 0.31 -0.03 0.00 0.12 0.00 0.00 56.93 57.89 2k78 s PHE 142 Cb -0.10 0.08 0.11 0.00 -0.57 0.00 0.00 43.02 42.53 2k78 s PHE 142 CO 0.32 -0.33 0.14 -0.80 -0.10 0.00 0.00 175.22 174.45 2k78 s ASN 143 N -1.06 3.49 0.00 1.36 0.01 0.46 0.14 114.94 119.35 2k78 s ASN 143 Ca -0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 52.86 50.54 2k78 s ASN 143 Cb -0.05 -0.42 0.00 0.00 0.41 0.00 0.00 41.25 41.19 2k78 s ASN 143 CO 0.03 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 2k78 n GLY 144 N 4.98 4.48 2.44 0.66 0.00 -0.79 -2.45 105.19 114.49 2k78 n GLY 144 Ca -0.02 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.08 0.19 1.61 -0.04 -1.26 -4.77 135.00 127.65 2k78 n PRO 145 Ca 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 2k78 n PRO 145 Cb 0.00 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -4.49 0.00 -0.29 0.52 -2.24 -1.26 -4.37 114.28 102.15 2k78 n THR 146 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2k78 n THR 146 Cb 0.43 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.44 0.00 -3.31 3.42 2.03 -1.26 -4.81 116.55 109.17 2k78 n ASP 147 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 2k78 n ASP 147 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.00 -8.54 -1.50 5.18 0.31 -1.26 -4.82 118.33 107.70 2k78 n VAL 148 Ca 0.00 -0.93 -0.40 0.00 -0.01 0.00 0.00 64.34 63.00 2k78 n VAL 148 Cb 0.00 -6.05 -0.02 0.00 -0.91 0.00 0.00 33.84 26.86 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 -3.02 6.96 -0.52 3.52 0.00 -1.26 -5.04 120.51 121.15 2k78 n ALA 149 Ca -0.07 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.69 2k78 n ALA 149 Cb 0.59 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.68 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91