#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 -3.06 -2.30 -1.46 0.00 -1.26 -4.23 120.51 108.20 2k78 n ALA 26 Ca 0.00 1.67 -0.18 0.00 0.00 0.00 0.00 53.44 54.93 2k78 n ALA 26 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 19.45 15.98 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 1.72 -5.28 -4.55 0.00 5.15 -1.26 -4.87 115.26 106.18 2k78 n ASN 27 Ca -0.26 0.01 -0.37 0.00 -0.60 0.00 0.00 54.58 53.36 2k78 n ASN 27 Cb 0.40 -4.35 -0.03 0.00 -0.53 0.00 0.00 39.78 35.27 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k78 s ALA 28 N -2.89 1.92 0.00 5.20 0.00 -1.26 -4.29 121.76 120.44 2k78 s ALA 28 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k78 s ALA 28 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2k78 s ALA 28 CO 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 175.76 171.60 2k78 n ALA 29 N 14.22 0.00 -2.05 0.00 0.00 -1.26 -4.88 120.51 126.53 2k78 n ALA 29 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.54 2k78 n ALA 29 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.92 -4.92 -3.53 0.00 8.00 -1.26 -4.91 116.55 108.00 2k78 n ASP 30 Ca 0.00 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 2k78 n ASP 30 Cb 0.00 -4.24 -0.05 0.00 -0.02 0.00 0.00 41.12 36.81 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 -2.22 -0.56 0.00 -2.24 1.04 -1.26 -0.67 113.70 107.80 2k78 s SER 31 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2k78 s SER 31 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2k78 s SER 31 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2k78 n GLY 32 N 0.53 0.96 3.55 7.32 0.00 -0.39 -4.97 105.19 112.20 2k78 n GLY 32 Ca -0.19 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 4.67 0.25 2.61 -4.23 -1.26 0.61 115.64 116.29 2k78 s THR 33 Ca 0.00 0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 2k78 s THR 33 Cb 0.00 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 2k78 s THR 33 CO 0.00 -0.65 0.47 -0.22 -0.54 0.00 0.00 174.62 173.69 2k78 s LEU 34 N 3.24 4.13 0.16 4.79 2.96 0.68 -4.88 118.68 129.77 2k78 s LEU 34 Ca 0.30 0.52 -0.28 0.00 -0.22 0.00 0.00 54.13 54.45 2k78 s LEU 34 Cb -0.12 -3.32 -0.07 0.00 0.50 0.00 0.00 46.19 43.17 2k78 s LEU 34 CO 0.21 -0.14 0.88 0.21 -1.32 0.00 0.00 176.35 176.20 2k78 s ASN 35 N -3.29 7.49 0.03 3.68 3.04 -1.07 -2.40 114.94 122.42 2k78 s ASN 35 Ca 0.41 1.77 -0.28 0.00 0.04 0.00 0.00 52.86 54.80 2k78 s ASN 35 Cb -0.11 -2.56 0.09 0.00 -1.54 0.00 0.00 41.25 37.14 2k78 s ASN 35 CO 0.30 0.09 0.95 -0.72 -3.04 0.00 0.00 177.10 174.69 2k78 s TYR 36 N -0.71 -0.25 0.00 0.43 1.13 -1.26 0.13 117.35 116.83 2k78 s TYR 36 Ca 0.41 0.06 0.00 0.00 -1.41 0.00 0.00 57.07 56.13 2k78 s TYR 36 Cb -0.24 0.57 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 2k78 s TYR 36 CO 0.29 -0.60 0.00 -1.91 -2.51 0.00 0.00 175.55 170.82 2k78 n GLU 37 N -0.32 0.00 -3.93 -3.49 2.13 0.81 -4.84 120.64 111.00 2k78 n GLU 37 Ca -0.07 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.58 2k78 n GLU 37 Cb 0.61 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.26 2k78 n GLU 37 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2k78 n VAL 38 N 0.00 0.00 -3.77 6.31 0.24 -1.26 0.13 118.33 119.98 2k78 n VAL 38 Ca 0.00 -2.11 -0.13 0.00 -2.04 0.00 0.00 64.34 60.07 2k78 n VAL 38 Cb 0.00 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 2k78 n VAL 38 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2k78 s TYR 39 N -3.17 -0.15 0.09 6.34 2.02 0.64 -4.01 117.35 119.11 2k78 s TYR 39 Ca 0.34 0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 56.92 2k78 s TYR 39 Cb 0.02 0.08 -0.08 0.00 -0.40 0.00 0.00 41.96 41.58 2k78 s TYR 39 CO 0.24 -0.40 1.49 0.21 -1.57 0.00 0.00 175.55 175.52 2k78 s LYS 40 N -1.51 4.26 0.54 -0.62 2.36 -1.19 -1.59 119.74 122.00 2k78 s LYS 40 Ca -0.12 2.16 -0.21 0.00 -2.55 0.00 0.00 55.97 55.25 2k78 s LYS 40 Cb -0.05 -3.38 -0.06 0.00 -1.05 0.00 0.00 37.83 33.29 2k78 s LYS 40 CO 0.03 -0.57 1.09 0.66 1.55 0.00 0.00 175.35 178.11 2k78 n TYR 41 N 4.64 1.33 -0.83 4.03 4.02 -1.26 -1.17 117.16 127.91 2k78 n TYR 41 Ca 0.13 0.46 0.00 0.00 -0.01 0.00 0.00 57.90 58.48 2k78 n TYR 41 Cb 0.41 -2.22 0.00 0.00 -0.02 0.00 0.00 39.34 37.51 2k78 n TYR 41 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k78 n ASN 42 N -0.53 -0.49 -0.74 7.72 4.05 -1.26 -4.93 115.26 119.08 2k78 n ASN 42 Ca 0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.15 2k78 n ASN 42 Cb 0.45 -1.04 0.00 0.00 1.23 0.00 0.00 39.78 40.41 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2k78 n THR 43 N -2.07 0.00 -1.29 -0.44 -2.24 -0.32 -5.07 114.28 102.84 2k78 n THR 43 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2k78 n THR 43 Cb 0.02 0.00 0.03 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 -1.77 0.74 -3.77 3.42 3.02 -1.26 -4.70 115.26 110.94 2k78 n ASN 44 Ca 0.00 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.37 2k78 n ASN 44 Cb 0.00 -0.17 -0.17 0.00 -0.61 0.00 0.00 39.78 38.83 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k78 s ASP 45 N -1.13 1.32 0.16 6.41 -1.08 -1.26 -4.90 116.67 116.20 2k78 s ASP 45 Ca 0.07 -0.05 -0.34 0.00 -0.52 0.00 0.00 52.55 51.71 2k78 s ASP 45 Cb 0.06 -0.36 -0.15 0.00 -1.46 0.00 0.00 42.92 41.01 2k78 s ASP 45 CO 0.01 -0.18 1.35 0.41 0.52 0.00 0.00 175.17 177.28 2k78 n THR 46 N 4.98 0.45 0.00 1.71 -1.04 -1.26 -3.16 114.28 115.96 2k78 n THR 46 Ca -0.10 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2k78 n THR 46 Cb 0.50 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 2k78 n THR 46 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k78 n SER 47 N 2.49 2.09 0.00 8.00 2.88 -1.26 -4.80 113.62 123.02 2k78 n SER 47 Ca 0.16 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2k78 n SER 47 Cb 0.25 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.76 0.00 -0.01 2.46 -0.00 -1.26 -4.84 119.36 114.95 2k78 n ILE 48 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 62.75 62.98 2k78 n ILE 48 Cb 0.00 -0.09 0.61 0.00 -0.00 0.00 0.00 39.64 40.16 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 2.41 -1.19 -1.39 0.00 -1.96 -1.18 119.26 115.95 2k78 h ALA 49 Ca 0.00 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.23 2k78 h ALA 49 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 2k78 h ALA 49 CO 0.00 -1.09 0.80 -2.95 0.00 0.00 0.00 179.25 176.01 2k78 h ASN 50 N 0.00 0.26 -0.58 0.00 -1.07 -1.90 0.66 115.58 112.95 2k78 h ASN 50 Ca 0.30 0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.74 2k78 h ASN 50 Cb 1.82 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 38.11 2k78 h ASN 50 CO -0.00 -0.01 0.00 0.47 0.07 0.00 0.00 177.43 177.96 2k78 n ASP 51 N -4.49 4.72 -0.00 6.14 8.00 -0.44 -4.31 116.55 126.17 2k78 n ASP 51 Ca 0.29 -2.55 0.11 0.00 0.71 0.00 0.00 54.79 53.35 2k78 n ASP 51 Cb 1.16 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 41.56 2k78 n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k78 n TYR 52 N 0.85 0.04 -4.95 1.24 9.36 0.23 -4.90 117.16 119.03 2k78 n TYR 52 Ca 0.25 0.01 -0.32 0.00 3.32 0.00 0.00 57.90 61.16 2k78 n TYR 52 Cb 0.91 -0.32 -0.16 0.00 -0.63 0.00 0.00 39.34 39.14 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 2k78 s PHE 53 N -3.30 2.65 -0.30 2.98 -0.71 -1.23 -3.08 117.98 114.99 2k78 s PHE 53 Ca -0.01 -1.05 -0.29 0.00 -1.04 0.00 0.00 56.93 54.54 2k78 s PHE 53 Cb 0.15 -1.78 -0.00 0.00 -1.21 0.00 0.00 43.02 40.18 2k78 s PHE 53 CO 0.88 -0.43 1.35 1.21 -1.34 0.00 0.00 175.22 176.89 2k78 s ASN 54 N 0.50 6.60 0.37 1.98 3.84 -1.14 -5.01 114.94 122.08 2k78 s ASN 54 Ca -0.14 1.21 -0.01 0.00 0.21 0.00 0.00 52.86 54.14 2k78 s ASN 54 Cb -0.17 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 37.96 2k78 s ASN 54 CO 0.05 -1.14 0.60 -1.59 -2.79 0.00 0.00 177.10 172.23 2k78 s LYS 55 N 4.32 3.51 0.51 0.43 -2.85 -1.26 -4.46 119.74 119.94 2k78 s LYS 55 Ca 0.59 -0.20 -0.08 0.00 -1.00 0.00 0.00 55.97 55.28 2k78 s LYS 55 Cb -0.17 -2.60 0.12 0.00 -2.06 0.00 0.00 37.83 33.11 2k78 s LYS 55 CO 0.25 0.08 0.70 -0.35 0.10 0.00 0.00 175.35 176.13 2k78 n PRO 56 N -1.83 -0.59 -3.14 1.78 -0.04 -1.26 -5.16 135.00 124.76 2k78 n PRO 56 Ca -0.03 -1.15 -0.19 0.00 -0.04 0.00 0.00 63.50 62.09 2k78 n PRO 56 Cb 0.56 -0.70 0.02 0.00 -0.04 0.00 0.00 33.50 33.34 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 -3.87 4.51 -0.29 0.55 0.00 -1.01 -4.91 121.76 116.75 2k78 s ALA 57 Ca 0.40 -1.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 2k78 s ALA 57 Cb -0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2k78 s ALA 57 CO 0.28 -0.44 0.10 0.15 0.00 0.00 0.00 175.76 175.85 2k78 s LYS 58 N -4.40 3.34 0.31 0.00 3.01 -1.16 -0.23 119.74 120.60 2k78 s LYS 58 Ca 0.55 -0.70 0.04 0.00 -1.01 0.00 0.00 55.97 54.85 2k78 s LYS 58 Cb -0.07 -3.42 -0.02 0.00 -1.01 0.00 0.00 37.83 33.30 2k78 s LYS 58 CO 0.33 -0.36 0.46 1.52 0.51 0.00 0.00 175.35 177.81 2k78 s TYR 59 N 1.57 3.35 -0.24 3.18 1.13 0.20 -0.91 117.35 125.64 2k78 s TYR 59 Ca 0.04 0.03 -0.09 0.00 -1.41 0.00 0.00 57.07 55.65 2k78 s TYR 59 Cb -0.17 -1.82 0.10 0.00 -1.10 0.00 0.00 41.96 38.97 2k78 s TYR 59 CO 0.04 0.18 0.52 -1.50 -2.51 0.00 0.00 175.55 172.28 2k78 s ILE 60 N -2.16 -0.63 -0.02 -3.49 2.07 -0.46 -1.26 121.20 115.26 2k78 s ILE 60 Ca 0.39 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.72 2k78 s ILE 60 Cb -0.09 -0.80 0.02 0.00 0.13 0.00 0.00 42.46 41.72 2k78 s ILE 60 CO 0.32 0.04 0.02 -0.54 -1.91 0.00 0.00 174.94 172.86 2k78 s LYS 61 N 2.48 0.06 -0.84 3.50 1.02 0.16 0.16 119.74 126.27 2k78 s LYS 61 Ca -0.05 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.09 2k78 s LYS 61 Cb -0.11 -0.27 0.32 0.00 -0.52 0.00 0.00 37.83 37.24 2k78 s LYS 61 CO -0.15 -0.13 1.36 1.17 -0.92 0.00 0.00 175.35 176.67 2k78 n LYS 62 N 4.00 4.24 -2.80 1.68 4.81 -0.39 -4.19 118.16 125.51 2k78 n LYS 62 Ca -0.25 -4.73 -0.03 0.00 -0.87 0.00 0.00 58.31 52.43 2k78 n LYS 62 Cb 0.52 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 2k78 n LYS 62 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2k78 n ASN 63 N 0.15 -4.11 0.00 3.14 4.05 -1.26 -4.19 115.26 113.04 2k78 n ASN 63 Ca 0.37 1.17 0.00 0.00 0.45 0.00 0.00 54.58 56.57 2k78 n ASN 63 Cb 0.33 -3.35 0.00 0.00 1.23 0.00 0.00 39.78 37.99 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 64 N 2.13 2.78 3.02 8.20 0.00 -1.26 -5.03 105.19 115.03 2k78 n GLY 64 Ca -0.19 0.00 -0.09 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 -0.99 0.41 -0.16 1.61 0.00 -1.26 -5.16 119.74 114.20 2k78 s LYS 65 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 55.97 55.01 2k78 s LYS 65 Cb 0.00 0.15 0.05 0.00 0.00 0.00 0.00 37.83 38.03 2k78 s LYS 65 CO 0.00 -0.07 0.53 -0.48 0.00 0.00 0.00 175.35 175.33 2k78 s LEU 66 N -1.86 -0.04 0.00 2.77 -0.00 -1.26 -1.27 118.68 117.02 2k78 s LEU 66 Ca -0.10 0.90 0.00 0.00 -0.00 0.00 0.00 54.13 54.94 2k78 s LEU 66 Cb -0.05 1.88 -0.00 0.00 -0.00 0.00 0.00 46.19 48.02 2k78 s LEU 66 CO -0.03 -0.29 0.00 -1.22 -0.00 0.00 0.00 176.35 174.82 2k78 n TYR 67 N 2.31 -0.01 -3.66 3.48 4.02 0.42 -4.18 117.16 119.53 2k78 n TYR 67 Ca -0.15 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.90 57.61 2k78 n TYR 67 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.87 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 -2.02 0.00 0.00 -0.72 0.11 -1.07 -1.35 120.40 115.35 2k78 s VAL 68 Ca 0.01 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2k78 s VAL 68 Cb 0.00 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.27 2k78 s VAL 68 CO 0.00 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 171.78 2k78 s GLN 69 N -3.66 0.13 -0.13 1.54 -2.07 -0.09 -0.22 119.66 115.16 2k78 s GLN 69 Ca 0.07 -0.20 0.01 0.00 -1.82 0.00 0.00 55.36 53.42 2k78 s GLN 69 Cb -0.03 0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 31.93 2k78 s GLN 69 CO -0.02 -0.02 -0.15 0.42 -1.32 0.00 0.00 175.29 174.20 2k78 s ILE 70 N -0.53 2.80 -0.18 3.63 1.09 -0.70 -3.00 121.20 124.31 2k78 s ILE 70 Ca -0.06 -0.74 -0.21 0.00 -1.10 0.00 0.00 60.65 58.54 2k78 s ILE 70 Cb -0.04 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.17 2k78 s ILE 70 CO -0.00 0.52 0.64 -0.89 -0.10 0.00 0.00 174.94 175.11 2k78 s THR 71 N 0.50 5.02 -0.12 2.92 2.01 -1.26 -2.50 115.64 122.22 2k78 s THR 71 Ca -0.10 1.22 -0.05 0.00 0.31 0.00 0.00 61.69 63.06 2k78 s THR 71 Cb -0.16 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2k78 s THR 71 CO 0.04 0.13 0.09 0.68 -0.69 0.00 0.00 174.62 174.87 2k78 s VAL 72 N 1.77 5.04 -0.15 3.82 -7.23 0.41 -2.88 120.40 121.17 2k78 s VAL 72 Ca 0.30 0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.42 2k78 s VAL 72 Cb -0.16 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2k78 s VAL 72 CO 0.11 0.60 0.12 0.20 -0.31 0.00 0.00 175.10 175.81 2k78 s ASN 73 N -0.83 6.14 -0.14 4.85 0.01 -1.18 -2.41 114.94 121.38 2k78 s ASN 73 Ca 0.13 0.31 -0.10 0.00 -0.71 0.00 0.00 52.86 52.49 2k78 s ASN 73 Cb -0.12 -2.02 0.04 0.00 0.41 0.00 0.00 41.25 39.56 2k78 s ASN 73 CO 0.03 0.29 0.20 1.41 -1.51 0.00 0.00 177.10 177.52 2k78 n HIS 74 N 2.76 -4.56 0.05 2.20 8.25 -1.15 -4.57 115.22 118.21 2k78 n HIS 74 Ca -0.18 2.67 0.01 0.00 -0.26 0.00 0.00 57.72 59.96 2k78 n HIS 74 Cb 0.53 -3.90 0.33 0.00 1.12 0.00 0.00 29.99 28.07 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 4.10 0.38 0.12 0.41 0.87 -1.81 -3.09 113.55 114.52 2k78 h SER 75 Ca -0.45 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.05 2k78 h SER 75 Cb 1.02 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 2k78 h SER 75 CO 0.01 0.50 -0.43 -0.74 -0.53 0.00 0.00 176.83 175.64 2k78 h HIS 76 N 0.38 -1.22 0.43 2.24 6.17 -1.88 -3.05 115.15 118.22 2k78 h HIS 76 Ca 0.08 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.17 2k78 h HIS 76 Cb 0.38 0.52 -0.01 0.00 2.52 0.00 0.00 27.41 30.82 2k78 h HIS 76 CO 0.01 -0.53 -0.38 -1.49 0.71 0.00 0.00 177.93 176.25 2k78 h TRP 77 N -0.67 -1.05 -3.55 5.26 4.06 -1.73 -3.32 115.95 114.95 2k78 h TRP 77 Ca 0.02 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.35 2k78 h TRP 77 Cb 0.69 0.40 -0.12 0.00 -1.00 0.00 0.00 29.16 29.13 2k78 h TRP 77 CO -0.38 -0.52 0.29 -1.50 -3.56 0.00 0.00 178.44 172.77 2k78 s ILE 78 N -5.15 4.78 -0.10 1.49 1.10 -1.15 -3.17 121.20 118.99 2k78 s ILE 78 Ca -0.14 0.72 0.15 0.00 -0.51 0.00 0.00 60.65 60.88 2k78 s ILE 78 Cb 0.03 -4.17 -0.10 0.00 0.15 0.00 0.00 42.46 38.37 2k78 s ILE 78 CO 0.45 -0.42 1.00 0.00 -2.11 0.00 0.00 174.94 173.86 2k78 h THR 79 N 5.75 0.71 -2.06 4.00 1.03 -1.53 -3.42 112.91 117.39 2k78 h THR 79 Ca -0.25 -2.22 0.26 0.00 -0.01 0.00 0.00 66.41 64.19 2k78 h THR 79 Cb 1.10 2.23 -0.08 0.00 -1.07 0.00 0.00 68.15 70.33 2k78 h THR 79 CO 0.89 0.41 0.73 -0.83 -0.01 0.00 0.00 175.52 176.70 2k78 s GLY 80 N -4.73 -0.17 0.16 2.99 0.00 -1.14 -4.94 107.32 99.50 2k78 s GLY 80 Ca -0.01 0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.72 2k78 s GLY 80 CO 0.80 2.16 0.40 -3.16 0.00 0.00 0.00 173.10 173.30 2k78 s MET 81 N -2.39 1.20 0.23 2.90 0.23 -1.26 -2.77 119.30 117.44 2k78 s MET 81 Ca 0.20 -0.91 -0.17 0.00 -1.03 0.00 0.00 55.69 53.78 2k78 s MET 81 Cb 0.00 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 2k78 s MET 81 CO 0.00 -0.47 0.56 -1.12 -2.03 0.00 0.00 175.02 171.96 2k78 s SER 82 N -2.88 -0.21 -0.04 -1.18 0.01 0.47 -3.22 113.70 106.64 2k78 s SER 82 Ca 0.09 -0.65 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 2k78 s SER 82 Cb 0.01 0.62 0.10 0.00 0.21 0.00 0.00 66.02 66.96 2k78 s SER 82 CO -0.05 -1.16 0.82 -0.63 0.41 0.00 0.00 173.24 172.63 2k78 s ILE 83 N -3.93 0.00 -1.11 1.44 1.01 -0.87 -2.07 121.20 115.67 2k78 s ILE 83 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2k78 s ILE 83 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.45 2k78 s ILE 83 CO 0.03 0.00 0.00 -0.62 0.00 0.00 0.00 174.94 174.35 2k78 n GLU 84 N 0.36 -1.73 -1.11 2.79 -0.58 -0.85 -1.39 120.64 118.13 2k78 n GLU 84 Ca -0.13 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 2k78 n GLU 84 Cb 0.60 -5.29 0.00 0.00 -0.57 0.00 0.00 31.44 26.18 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k78 n GLY 85 N 0.30 0.53 3.14 0.62 0.00 -1.26 -5.06 105.19 103.46 2k78 n GLY 85 Ca -0.10 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 0.77 1.20 1.61 -3.43 -0.49 -5.16 115.29 107.80 2k78 s HIS 86 Ca 0.00 -1.06 -0.20 0.00 -0.80 0.00 0.00 55.06 53.00 2k78 s HIS 86 Cb 0.00 -0.48 0.29 0.00 -1.43 0.00 0.00 32.58 30.96 2k78 s HIS 86 CO 0.00 -0.33 1.15 0.15 -2.00 0.00 0.00 174.74 173.71 2k78 s LYS 87 N -3.92 -1.25 0.43 -0.38 3.01 -1.26 -2.05 119.74 114.33 2k78 s LYS 87 Ca 0.14 -0.22 0.07 0.00 -1.01 0.00 0.00 55.97 54.95 2k78 s LYS 87 Cb 0.07 -1.61 0.01 0.00 -1.01 0.00 0.00 37.83 35.29 2k78 s LYS 87 CO -0.05 -3.70 0.59 -1.83 0.51 0.00 0.00 175.35 170.88 2k78 s GLU 88 N -5.56 2.79 -0.09 1.68 -1.05 -1.20 -4.64 118.70 110.64 2k78 s GLU 88 Ca 0.73 -1.21 0.03 0.00 -0.15 0.00 0.00 54.97 54.37 2k78 s GLU 88 Cb -0.07 -2.73 -0.01 0.00 -0.44 0.00 0.00 34.13 30.87 2k78 s GLU 88 CO 0.55 -0.32 -0.19 1.21 0.95 0.00 0.00 175.26 177.47 2k78 s ASN 89 N -4.36 3.59 -0.54 0.83 2.47 -1.23 -4.97 114.94 110.73 2k78 s ASN 89 Ca 0.55 -0.39 -0.27 0.00 0.42 0.00 0.00 52.86 53.18 2k78 s ASN 89 Cb -0.10 -1.18 -0.03 0.00 -1.45 0.00 0.00 41.25 38.49 2k78 s ASN 89 CO 0.34 0.23 1.97 0.27 -3.72 0.00 0.00 177.10 176.18 2k78 s ILE 90 N -0.04 3.30 -0.13 -5.21 -5.25 -1.26 -2.69 121.20 109.91 2k78 s ILE 90 Ca -0.05 0.20 0.13 0.00 -0.99 0.00 0.00 60.65 59.94 2k78 s ILE 90 Cb -0.14 -3.70 -0.24 0.00 2.95 0.00 0.00 42.46 41.33 2k78 s ILE 90 CO 0.04 -0.65 0.31 0.00 -1.79 0.00 0.00 174.94 172.86 2k78 n ILE 91 N 7.41 1.51 -3.09 8.37 3.06 -0.92 -4.89 119.36 130.81 2k78 n ILE 91 Ca 0.24 -0.80 0.03 0.00 -2.50 0.00 0.00 62.75 59.72 2k78 n ILE 91 Cb 0.52 -0.83 -0.00 0.00 0.54 0.00 0.00 39.64 39.86 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 -5.89 -1.06 -0.72 9.51 0.01 -1.19 -4.97 113.70 109.40 2k78 s SER 92 Ca -0.10 -0.18 -0.17 0.00 1.31 0.00 0.00 55.95 56.81 2k78 s SER 92 Cb 0.07 1.51 0.15 0.00 0.21 0.00 0.00 66.02 67.95 2k78 s SER 92 CO 0.81 -0.16 0.78 -0.75 0.41 0.00 0.00 173.24 174.33 2k78 s LYS 93 N 2.41 3.30 -0.82 12.44 2.20 -1.26 -1.71 119.74 136.30 2k78 s LYS 93 Ca 0.17 -1.78 -0.16 0.00 -0.36 0.00 0.00 55.97 53.84 2k78 s LYS 93 Cb -0.04 -4.44 0.19 0.00 -1.51 0.00 0.00 37.83 32.03 2k78 s LYS 93 CO -0.18 -1.49 0.84 1.21 -0.36 0.00 0.00 175.35 175.37 2k78 s ASN 94 N 3.21 6.66 0.29 1.43 3.04 -0.57 -4.85 114.94 124.14 2k78 s ASN 94 Ca 0.16 -2.40 0.14 0.00 0.04 0.00 0.00 52.86 50.80 2k78 s ASN 94 Cb -0.17 -2.26 0.35 0.00 -1.54 0.00 0.00 41.25 37.62 2k78 s ASN 94 CO -0.01 -0.74 1.58 0.71 -3.04 0.00 0.00 177.10 175.59 2k78 h THR 95 N 5.17 1.17 -0.39 -5.21 1.35 -1.95 0.34 112.91 113.39 2k78 h THR 95 Ca 0.07 -2.10 -0.02 0.00 -0.55 0.00 0.00 66.41 63.81 2k78 h THR 95 Cb 1.04 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 69.66 2k78 h THR 95 CO 0.88 0.55 0.18 0.00 -0.25 0.00 0.00 175.52 176.88 2k78 h ALA 96 N 1.44 0.50 -0.48 6.62 0.00 -1.92 -2.47 119.26 122.95 2k78 h ALA 96 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k78 h ALA 96 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k78 h ALA 96 CO 0.07 0.08 0.00 1.17 0.00 0.00 0.00 179.25 180.57 2k78 n LYS 97 N -4.69 3.91 -3.61 0.00 3.00 -1.22 -4.94 118.16 110.62 2k78 n LYS 97 Ca -0.00 -2.48 -0.27 0.00 -0.00 0.00 0.00 58.31 55.55 2k78 n LYS 97 Cb 0.12 -2.04 0.04 0.00 0.00 0.00 0.00 35.03 33.15 2k78 n LYS 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k78 n ASP 98 N 0.60 -5.60 -3.98 3.14 -0.08 -0.93 -4.93 116.55 104.77 2k78 n ASP 98 Ca 0.22 -0.91 -0.10 0.00 -1.51 0.00 0.00 54.79 52.49 2k78 n ASP 98 Cb 0.95 -3.50 -0.07 0.00 2.34 0.00 0.00 41.12 40.84 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 -5.55 1.26 -0.19 -0.67 2.02 0.12 -2.91 118.70 112.78 2k78 s GLU 99 Ca 0.40 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 2k78 s GLU 99 Cb -0.14 0.39 0.13 0.00 0.10 0.00 0.00 34.13 34.62 2k78 s GLU 99 CO 0.85 -0.47 1.02 0.50 0.02 0.00 0.00 175.26 177.17 2k78 s ARG 100 N -3.99 0.56 0.05 1.61 3.52 -1.01 -1.52 118.95 118.16 2k78 s ARG 100 Ca 0.20 0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 56.01 2k78 s ARG 100 Cb 0.03 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 2k78 s ARG 100 CO 0.03 -0.15 0.02 0.99 -0.81 0.00 0.00 175.30 175.38 2k78 s THR 101 N -0.80 0.18 -0.04 4.11 2.01 -0.70 0.16 115.64 120.56 2k78 s THR 101 Ca -0.00 -1.52 -0.07 0.00 0.31 0.00 0.00 61.69 60.41 2k78 s THR 101 Cb -0.01 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.24 2k78 s THR 101 CO -0.00 -0.84 0.17 -0.94 -0.69 0.00 0.00 174.62 172.32 2k78 s SER 102 N -2.65 -0.12 0.04 3.53 1.04 -1.04 -2.16 113.70 112.34 2k78 s SER 102 Ca 0.03 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.48 2k78 s SER 102 Cb 0.04 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.42 2k78 s SER 102 CO -0.08 -0.17 0.44 -0.70 0.98 0.00 0.00 173.24 173.71 2k78 s GLU 103 N -0.42 3.94 0.09 4.02 -6.30 -1.09 -1.73 118.70 117.21 2k78 s GLU 103 Ca -0.05 0.43 0.09 0.00 -2.50 0.00 0.00 54.97 52.93 2k78 s GLU 103 Cb -0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 34.13 30.90 2k78 s GLU 103 CO 0.01 0.64 -0.22 -0.06 0.02 0.00 0.00 175.26 175.65 2k78 s PHE 104 N -1.17 1.91 -0.16 5.30 0.08 0.69 -3.48 117.98 121.16 2k78 s PHE 104 Ca 0.27 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 2k78 s PHE 104 Cb -0.16 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2k78 s PHE 104 CO 0.15 0.20 0.20 -1.21 -0.10 0.00 0.00 175.22 174.47 2k78 s GLU 105 N -1.75 4.07 0.19 0.44 2.02 -1.26 -2.58 118.70 119.83 2k78 s GLU 105 Ca 0.08 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.91 2k78 s GLU 105 Cb -0.10 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 2k78 s GLU 105 CO 0.04 0.38 0.35 0.54 0.02 0.00 0.00 175.26 176.59 2k78 s VAL 106 N 0.08 0.04 0.23 2.63 0.11 -1.26 -4.85 120.40 117.38 2k78 s VAL 106 Ca 0.13 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 57.81 2k78 s VAL 106 Cb -0.12 -1.96 -0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2k78 s VAL 106 CO 0.02 -0.17 1.60 -1.28 -3.33 0.00 0.00 175.10 171.94 2k78 h SER 107 N 2.43 0.54 0.00 3.54 0.87 -1.98 -3.44 113.55 115.51 2k78 h SER 107 Ca -0.30 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2k78 h SER 107 Cb 1.24 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2k78 h SER 107 CO 0.44 0.90 0.00 1.17 -0.53 0.00 0.00 176.83 178.80 2k78 n LYS 108 N -4.02 0.00 -2.73 2.24 0.00 -1.26 -4.85 118.16 107.54 2k78 n LYS 108 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.20 2k78 n LYS 108 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.62 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 -0.35 -3.05 3.14 -0.00 -1.26 -4.98 117.00 110.50 2k78 n LEU 109 Ca 0.00 -3.73 -0.19 0.00 -0.00 0.00 0.00 56.01 52.09 2k78 n LEU 109 Cb 0.00 0.34 -0.03 0.00 -0.00 0.00 0.00 43.42 43.73 2k78 n LEU 109 CO 0.00 1.82 -0.14 -3.20 -0.00 0.00 0.00 177.39 175.86 2k78 n ASN 110 N -0.21 -0.82 0.00 1.45 4.05 -1.15 -0.55 115.26 118.04 2k78 n ASN 110 Ca 0.05 -2.88 0.00 0.00 0.45 0.00 0.00 54.58 52.21 2k78 n ASN 110 Cb 0.81 0.14 0.00 0.00 1.23 0.00 0.00 39.78 41.96 2k78 n ASN 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 111 N 1.52 -0.53 3.50 8.20 0.00 0.39 -4.91 105.19 113.36 2k78 n GLY 111 Ca 0.17 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 2k78 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k78 s LYS 112 N 0.00 0.72 0.07 1.61 2.36 -1.26 -1.20 119.74 122.04 2k78 s LYS 112 Ca 0.00 0.77 0.02 0.00 -2.55 0.00 0.00 55.97 54.21 2k78 s LYS 112 Cb 0.00 0.35 -0.03 0.00 -1.05 0.00 0.00 37.83 37.10 2k78 s LYS 112 CO 0.00 -0.10 -0.08 0.42 1.55 0.00 0.00 175.35 177.14 2k78 s ILE 113 N 0.18 0.66 0.20 5.43 1.01 -0.84 -4.95 121.20 122.89 2k78 s ILE 113 Ca -0.01 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 2k78 s ILE 113 Cb -0.04 -1.07 -0.08 0.00 0.01 0.00 0.00 42.46 41.28 2k78 s ILE 113 CO 0.01 -0.55 1.07 -1.81 0.00 0.00 0.00 174.94 173.66 2k78 s ASP 114 N -2.16 7.33 0.33 3.58 1.01 -1.26 -1.48 116.67 124.02 2k78 s ASP 114 Ca -0.01 2.08 0.05 0.00 0.71 0.00 0.00 52.55 55.39 2k78 s ASP 114 Cb -0.04 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2k78 s ASP 114 CO -0.01 -0.14 0.21 -0.83 0.21 0.00 0.00 175.17 174.61 2k78 s GLY 115 N -0.39 2.25 0.05 0.21 0.00 -1.00 -2.00 107.32 106.44 2k78 s GLY 115 Ca 0.47 -1.82 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 2k78 s GLY 115 CO 0.35 -1.55 0.11 0.54 0.00 0.00 0.00 173.10 172.55 2k78 s LYS 116 N -3.64 0.64 -0.02 2.90 1.02 -0.88 -2.97 119.74 116.79 2k78 s LYS 116 Ca 0.36 -0.82 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 2k78 s LYS 116 Cb 0.03 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.65 2k78 s LYS 116 CO 0.22 -0.17 0.59 -1.50 -0.92 0.00 0.00 175.35 173.57 2k78 s ILE 117 N -2.93 0.01 0.24 2.17 -1.16 0.97 0.18 121.20 120.68 2k78 s ILE 117 Ca -0.02 -0.11 0.09 0.00 -0.51 0.00 0.00 60.65 60.09 2k78 s ILE 117 Cb 0.01 -0.93 -0.04 0.00 0.61 0.00 0.00 42.46 42.10 2k78 s ILE 117 CO -0.06 -0.06 0.00 -1.81 -2.81 0.00 0.00 174.94 170.20 2k78 s ASP 118 N -1.40 4.64 0.06 4.50 1.11 -1.11 -1.11 116.67 123.36 2k78 s ASP 118 Ca -0.10 -0.56 0.05 0.00 0.18 0.00 0.00 52.55 52.13 2k78 s ASP 118 Cb -0.01 -0.91 -0.03 0.00 1.07 0.00 0.00 42.92 43.04 2k78 s ASP 118 CO 0.06 0.03 -0.15 -0.69 1.18 0.00 0.00 175.17 175.60 2k78 s VAL 119 N -2.13 1.18 -0.28 -1.27 1.01 -1.14 -2.23 120.40 115.55 2k78 s VAL 119 Ca 0.30 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2k78 s VAL 119 Cb -0.07 -1.10 0.15 0.00 0.00 0.00 0.00 36.38 35.36 2k78 s VAL 119 CO 0.20 -0.12 0.40 -0.47 0.00 0.00 0.00 175.10 175.11 2k78 s TYR 120 N -1.10 -0.95 0.07 5.22 6.14 -1.19 -2.80 117.35 122.74 2k78 s TYR 120 Ca 0.00 0.42 0.03 0.00 0.64 0.00 0.00 57.07 58.16 2k78 s TYR 120 Cb -0.09 -0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.13 2k78 s TYR 120 CO 0.02 -0.93 -0.10 0.42 0.64 0.00 0.00 175.55 175.60 2k78 s ILE 121 N 2.54 0.81 -0.31 3.14 1.09 0.11 -4.32 121.20 124.27 2k78 s ILE 121 Ca 0.10 -1.33 0.06 0.00 -1.10 0.00 0.00 60.65 58.38 2k78 s ILE 121 Cb -0.13 -0.99 0.20 0.00 -1.06 0.00 0.00 42.46 40.48 2k78 s ILE 121 CO -0.27 -0.41 0.61 1.51 -0.10 0.00 0.00 174.94 176.28 2k78 s ASP 122 N -1.92 -1.58 0.00 3.58 -4.77 -1.26 0.02 116.67 110.74 2k78 s ASP 122 Ca -0.03 0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.26 2k78 s ASP 122 Cb -0.07 2.00 0.00 0.00 -1.09 0.00 0.00 42.92 43.75 2k78 s ASP 122 CO 0.01 -0.27 0.00 -1.84 0.70 0.00 0.00 175.17 173.76 2k78 n GLU 123 N 5.25 0.00 -2.78 2.11 0.28 -0.99 -4.99 120.64 119.53 2k78 n GLU 123 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.82 2k78 n GLU 123 Cb 0.55 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.44 2k78 n GLU 123 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k78 s LYS 124 N 1.31 2.96 -0.30 3.44 1.02 -1.26 0.11 119.74 127.01 2k78 s LYS 124 Ca 0.00 -0.39 0.05 0.00 0.02 0.00 0.00 55.97 55.65 2k78 s LYS 124 Cb 0.00 -2.47 0.19 0.00 -0.52 0.00 0.00 37.83 35.03 2k78 s LYS 124 CO 0.00 -0.45 0.54 0.08 -0.92 0.00 0.00 175.35 174.61 2k78 s VAL 125 N -2.70 -0.90 -1.27 3.17 1.01 0.82 -4.75 120.40 115.78 2k78 s VAL 125 Ca 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2k78 s VAL 125 Cb -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2k78 s VAL 125 CO 0.40 -0.08 0.00 -3.20 0.00 0.00 0.00 175.10 172.22 2k78 n ASN 126 N 5.33 -4.36 -0.14 3.32 4.05 -1.26 -2.60 115.26 119.59 2k78 n ASN 126 Ca 0.04 0.13 0.00 0.00 0.45 0.00 0.00 54.58 55.21 2k78 n ASN 126 Cb 0.53 -3.34 0.00 0.00 1.23 0.00 0.00 39.78 38.20 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 -1.14 0.93 3.14 8.20 0.00 -1.26 -5.07 105.19 109.98 2k78 n GLY 127 Ca -0.15 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.17 0.29 0.19 1.61 -0.14 -1.07 -5.12 119.74 112.32 2k78 s LYS 128 Ca 0.00 0.51 -0.32 0.00 -1.36 0.00 0.00 55.97 54.81 2k78 s LYS 128 Cb 0.00 0.01 -0.11 0.00 -1.68 0.00 0.00 37.83 36.05 2k78 s LYS 128 CO 0.00 -0.11 1.72 -2.14 -0.76 0.00 0.00 175.35 174.06 2k78 s PRO 129 N 0.81 4.14 0.06 -1.68 0.02 -1.26 -0.13 135.00 136.97 2k78 s PRO 129 Ca -0.05 2.57 0.09 0.00 0.02 0.00 0.00 61.00 63.63 2k78 s PRO 129 Cb -0.06 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 2k78 s PRO 129 CO -0.05 -0.75 -0.25 0.12 -0.33 0.00 0.00 177.00 175.73 2k78 s PHE 130 N 1.47 2.21 -0.09 6.54 5.36 0.30 -4.88 117.98 128.89 2k78 s PHE 130 Ca 0.75 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 56.30 2k78 s PHE 130 Cb -0.48 -1.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 2k78 s PHE 130 CO 0.33 0.17 0.02 0.21 -1.46 0.00 0.00 175.22 174.48 2k78 s LYS 131 N -1.42 0.52 -0.05 10.12 2.20 -1.26 -2.33 119.74 127.51 2k78 s LYS 131 Ca 0.11 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2k78 s LYS 131 Cb -0.10 -1.12 0.01 0.00 -1.51 0.00 0.00 37.83 35.12 2k78 s LYS 131 CO 0.03 -0.37 -0.11 -0.47 -0.36 0.00 0.00 175.35 174.07 2k78 s TYR 132 N 1.99 1.31 -0.32 4.03 5.04 0.10 -4.96 117.35 124.54 2k78 s TYR 132 Ca 0.04 -0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 54.13 2k78 s TYR 132 Cb -0.13 -0.96 0.20 0.00 0.35 0.00 0.00 41.96 41.41 2k78 s TYR 132 CO -0.06 -0.22 1.10 0.34 -1.34 0.00 0.00 175.55 175.37 2k78 s ASP 133 N 0.55 -0.20 0.00 4.32 2.15 -1.25 0.06 116.67 122.30 2k78 s ASP 133 Ca -0.11 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.73 2k78 s ASP 133 Cb -0.14 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 2k78 s ASP 133 CO 0.03 -0.02 0.00 1.57 -0.17 0.00 0.00 175.17 176.58 2k78 n HIS 134 N 3.36 -0.27 -4.90 -5.34 -0.00 -1.12 -5.01 115.22 101.94 2k78 n HIS 134 Ca 0.06 0.00 -0.31 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 -3.38 0.46 0.00 0.00 176.34 173.42 2k78 s HIS 135 N -4.09 2.40 0.36 1.57 -3.43 -1.26 -2.88 115.29 107.97 2k78 s HIS 135 Ca 0.00 -0.36 -0.09 0.00 -0.80 0.00 0.00 55.06 53.81 2k78 s HIS 135 Cb 0.00 -1.44 0.03 0.00 -1.43 0.00 0.00 32.58 29.75 2k78 s HIS 135 CO 0.00 0.14 0.63 0.66 -2.00 0.00 0.00 174.74 174.17 2k78 n TYR 136 N 1.85 -1.92 -3.99 0.38 4.01 -0.26 -4.99 117.16 112.23 2k78 n TYR 136 Ca -0.17 -2.02 -0.10 0.00 -0.16 0.00 0.00 57.90 55.45 2k78 n TYR 136 Cb 0.52 0.73 -0.04 0.00 -0.31 0.00 0.00 39.34 40.24 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 -3.05 0.08 0.18 7.72 2.20 -1.26 -0.02 114.94 120.79 2k78 s ASN 137 Ca 0.21 -1.03 -0.19 0.00 -0.94 0.00 0.00 52.86 50.91 2k78 s ASN 137 Cb -0.03 0.63 0.04 0.00 -2.00 0.00 0.00 41.25 39.89 2k78 s ASN 137 CO 0.15 -1.22 0.55 0.27 -2.94 0.00 0.00 177.10 173.91 2k78 s ILE 138 N -3.72 0.02 -0.16 0.54 -4.36 -1.16 -4.43 121.20 107.94 2k78 s ILE 138 Ca 0.23 -0.52 -0.18 0.00 -0.26 0.00 0.00 60.65 59.92 2k78 s ILE 138 Cb -0.01 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.30 2k78 s ILE 138 CO 0.11 -0.10 0.49 -0.89 0.24 0.00 0.00 174.94 174.79 2k78 s THR 139 N -3.83 5.15 0.33 8.37 2.01 -0.62 -2.37 115.64 124.68 2k78 s THR 139 Ca 0.06 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 62.91 2k78 s THR 139 Cb -0.01 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2k78 s THR 139 CO -0.07 0.25 0.65 -0.31 -0.69 0.00 0.00 174.62 174.45 2k78 s TYR 140 N 1.15 3.47 -0.23 4.92 2.02 -0.55 -0.26 117.35 127.86 2k78 s TYR 140 Ca 0.24 0.84 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 2k78 s TYR 140 Cb -0.15 -2.27 0.08 0.00 -0.40 0.00 0.00 41.96 39.22 2k78 s TYR 140 CO 0.10 0.06 0.09 0.21 -1.57 0.00 0.00 175.55 174.44 2k78 s LYS 141 N -3.60 0.31 -0.05 -0.62 2.36 0.35 -1.99 119.74 116.50 2k78 s LYS 141 Ca 0.47 -0.42 -0.17 0.00 -2.55 0.00 0.00 55.97 53.30 2k78 s LYS 141 Cb -0.11 -1.69 -0.05 0.00 -1.05 0.00 0.00 37.83 34.94 2k78 s LYS 141 CO 0.29 -0.82 0.47 -0.06 1.55 0.00 0.00 175.35 176.78 2k78 s PHE 142 N 2.00 3.63 -0.27 4.03 0.08 -0.34 -0.13 117.98 126.97 2k78 s PHE 142 Ca 0.05 0.98 -0.01 0.00 0.12 0.00 0.00 56.93 58.06 2k78 s PHE 142 Cb -0.16 -2.46 0.09 0.00 -0.57 0.00 0.00 43.02 39.92 2k78 s PHE 142 CO -0.20 0.39 0.07 -0.80 -0.10 0.00 0.00 175.22 174.57 2k78 s ASN 143 N -0.19 3.72 0.00 1.36 0.01 0.12 0.15 114.94 120.11 2k78 s ASN 143 Ca 0.26 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 2k78 s ASN 143 Cb -0.16 -0.82 0.00 0.00 0.41 0.00 0.00 41.25 40.68 2k78 s ASN 143 CO 0.12 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.95 2k78 n GLY 144 N 4.89 2.80 0.00 0.66 0.00 0.29 -2.61 105.19 111.21 2k78 n GLY 144 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.31 0.05 1.61 -0.04 -1.26 -4.70 135.00 130.35 2k78 n PRO 145 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k78 n PRO 145 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.01 0.00 0.01 0.52 -2.24 -1.26 -4.33 114.28 104.97 2k78 n THR 146 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2k78 n THR 146 Cb 0.00 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.76 1.37 -3.54 3.42 8.00 -1.26 -4.95 116.55 116.82 2k78 n ASP 147 Ca 0.00 0.20 -0.19 0.00 0.71 0.00 0.00 54.79 55.50 2k78 n ASP 147 Cb 0.00 -0.46 0.06 0.00 -0.02 0.00 0.00 41.12 40.70 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k78 n VAL 148 N -3.79 -5.77 1.42 2.53 0.31 -1.26 -4.87 118.33 106.90 2k78 n VAL 148 Ca -0.04 -0.64 0.15 0.00 -0.01 0.00 0.00 64.34 63.79 2k78 n VAL 148 Cb 0.16 -4.65 0.70 0.00 -0.91 0.00 0.00 33.84 29.15 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 -4.07 2.61 0.00 3.52 0.00 -1.26 -5.04 120.51 116.26 2k78 n ALA 149 Ca -0.25 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2k78 n ALA 149 Cb 0.66 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91