#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 -1.82 -1.74 -1.46 0.00 -1.26 -4.92 121.76 110.56 2k78 s ALA 26 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2k78 s ALA 26 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2k78 s ALA 26 CO 0.00 -0.36 0.00 -1.71 0.00 0.00 0.00 175.76 173.69 2k78 n ASN 27 N 0.81 -5.18 0.00 0.00 5.15 -1.26 -4.75 115.26 110.03 2k78 n ASN 27 Ca -0.16 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2k78 n ASN 27 Cb 0.58 -4.25 0.00 0.00 -0.53 0.00 0.00 39.78 35.57 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k78 n ALA 28 N -0.06 0.00 -1.00 5.20 0.00 -1.26 -5.16 120.51 118.23 2k78 n ALA 28 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k78 n ALA 28 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2k78 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k78 n ALA 29 N 0.00 0.00 -2.32 0.00 0.00 -1.26 -4.46 120.51 112.47 2k78 n ALA 29 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2k78 n ALA 29 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -4.91 -3.59 0.00 8.00 -1.26 -4.85 116.55 109.93 2k78 n ASP 30 Ca 0.00 0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.47 2k78 n ASP 30 Cb 0.00 -4.15 -0.07 0.00 -0.02 0.00 0.00 41.12 36.88 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 -2.08 -0.68 0.00 -2.24 1.04 -1.26 0.44 113.70 108.92 2k78 s SER 31 Ca 0.00 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.55 2k78 s SER 31 Cb 0.00 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2k78 s SER 31 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2k78 n GLY 32 N 1.99 -1.78 3.48 7.32 0.00 -0.73 -4.99 105.19 110.47 2k78 n GLY 32 Ca -0.15 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.12 4.49 0.31 2.61 -4.23 -1.26 -0.46 115.64 114.97 2k78 s THR 33 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2k78 s THR 33 Cb 0.00 -4.54 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 2k78 s THR 33 CO 0.00 -1.17 0.50 -0.22 -0.54 0.00 0.00 174.62 173.19 2k78 s LEU 34 N 3.66 4.09 0.27 4.79 2.96 0.81 -4.88 118.68 130.36 2k78 s LEU 34 Ca 0.23 0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 54.28 2k78 s LEU 34 Cb -0.16 -3.26 -0.09 0.00 0.50 0.00 0.00 46.19 43.18 2k78 s LEU 34 CO 0.14 -0.22 0.96 0.20 -1.32 0.00 0.00 176.35 176.11 2k78 s ASN 35 N -3.80 7.51 0.00 3.68 -0.87 -1.05 -2.41 114.94 118.00 2k78 s ASN 35 Ca 0.39 1.95 -0.28 0.00 -1.57 0.00 0.00 52.86 53.36 2k78 s ASN 35 Cb -0.10 -2.60 0.09 0.00 -0.02 0.00 0.00 41.25 38.62 2k78 s ASN 35 CO 0.33 0.06 0.81 -0.72 -2.57 0.00 0.00 177.10 175.02 2k78 s TYR 36 N -1.30 -0.43 0.23 2.20 1.13 -1.26 0.11 117.35 118.03 2k78 s TYR 36 Ca 0.44 0.42 -0.06 0.00 -1.41 0.00 0.00 57.07 56.46 2k78 s TYR 36 Cb -0.25 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2k78 s TYR 36 CO 0.31 -0.59 0.41 -1.91 -2.51 0.00 0.00 175.55 171.25 2k78 n GLU 37 N 0.02 0.59 -4.22 -3.49 2.13 0.40 -4.81 120.64 111.26 2k78 n GLU 37 Ca -0.12 -1.48 -0.14 0.00 0.66 0.00 0.00 57.16 56.08 2k78 n GLU 37 Cb 0.61 1.67 -0.09 0.00 0.27 0.00 0.00 31.44 33.90 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 -2.54 0.00 0.09 6.31 -7.23 -1.26 0.15 120.40 115.92 2k78 s VAL 38 Ca 0.13 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 2k78 s VAL 38 Cb -0.02 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2k78 s VAL 38 CO 0.09 0.00 0.24 -0.31 -0.31 0.00 0.00 175.10 174.82 2k78 s TYR 39 N -3.96 0.05 0.10 2.82 2.02 0.30 -4.13 117.35 114.54 2k78 s TYR 39 Ca 0.39 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.37 2k78 s TYR 39 Cb 0.06 0.02 -0.08 0.00 -0.40 0.00 0.00 41.96 41.56 2k78 s TYR 39 CO 0.16 -0.56 1.48 0.21 -1.57 0.00 0.00 175.55 175.27 2k78 s LYS 40 N -3.61 4.27 0.52 -0.62 2.36 -1.21 -1.58 119.74 119.87 2k78 s LYS 40 Ca 0.03 2.16 -0.21 0.00 -2.55 0.00 0.00 55.97 55.40 2k78 s LYS 40 Cb 0.03 -3.35 -0.07 0.00 -1.05 0.00 0.00 37.83 33.39 2k78 s LYS 40 CO -0.10 -0.55 1.08 0.98 1.55 0.00 0.00 175.35 178.31 2k78 n TYR 41 N 4.51 1.33 -0.84 4.03 9.36 -1.26 -1.26 117.16 133.03 2k78 n TYR 41 Ca 0.13 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2k78 n TYR 41 Cb 0.41 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 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 -0.31 -0.98 -0.67 2.98 2.85 -1.26 -4.93 115.26 112.93 2k78 n ASN 42 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2k78 n ASN 42 Cb 0.44 -1.23 0.00 0.00 1.24 0.00 0.00 39.78 40.22 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2k78 n THR 43 N -2.13 0.00 -1.26 -0.44 -2.24 -0.39 -5.07 114.28 102.74 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 0.05 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.53 0.70 -3.76 3.42 3.02 -1.26 -4.72 115.26 111.13 2k78 n ASN 44 Ca 0.00 -1.90 -0.24 0.00 -0.03 0.00 0.00 54.58 52.41 2k78 n ASN 44 Cb 0.00 -0.15 -0.17 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.04 1.88 0.13 6.41 1.01 -1.26 -4.90 116.67 118.89 2k78 s ASP 45 Ca 0.06 -0.25 -0.35 0.00 0.71 0.00 0.00 52.55 52.72 2k78 s ASP 45 Cb 0.05 -0.46 -0.16 0.00 1.01 0.00 0.00 42.92 43.36 2k78 s ASP 45 CO 0.01 -0.22 1.37 0.41 0.21 0.00 0.00 175.17 176.94 2k78 n THR 46 N 5.13 0.26 0.00 -1.27 -1.04 -1.26 -3.28 114.28 112.82 2k78 n THR 46 Ca -0.07 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2k78 n THR 46 Cb 0.49 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 2.59 1.92 0.00 8.00 2.88 -1.26 -4.79 113.62 122.95 2k78 n SER 47 Ca 0.17 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2k78 n SER 47 Cb 0.23 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2k78 n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k78 n ILE 48 N -0.71 0.00 -0.13 2.46 5.41 -1.26 -4.84 119.36 120.29 2k78 n ILE 48 Ca 0.00 0.00 0.27 0.00 1.00 0.00 0.00 62.75 64.02 2k78 n ILE 48 Cb 0.00 -0.15 0.63 0.00 -0.71 0.00 0.00 39.64 39.42 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 2.68 0.00 -1.39 0.00 -1.95 0.56 119.26 119.17 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 -1.29 0.00 -1.71 0.00 0.00 0.00 179.25 176.25 2k78 n ASN 50 N -3.60 0.57 -1.31 0.00 5.15 -1.26 -1.56 115.26 113.25 2k78 n ASN 50 Ca 0.18 0.72 0.07 0.00 -0.60 0.00 0.00 54.58 54.95 2k78 n ASN 50 Cb 1.14 -0.81 0.28 0.00 -0.53 0.00 0.00 39.78 39.86 2k78 n ASN 50 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k78 n ASP 51 N -2.21 3.83 -0.29 1.20 8.00 0.20 -4.12 116.55 123.15 2k78 n ASP 51 Ca -0.00 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.15 2k78 n ASP 51 Cb 0.10 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 2k78 n ASP 51 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k78 n TYR 52 N 0.83 0.00 -3.78 1.24 4.01 -0.60 -5.03 117.16 113.83 2k78 n TYR 52 Ca 0.20 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.65 2k78 n TYR 52 Cb 0.72 0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.60 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2k78 s PHE 53 N 0.00 1.65 0.96 -0.72 0.08 -1.21 -2.71 117.98 116.03 2k78 s PHE 53 Ca 0.00 -1.45 -0.12 0.00 0.12 0.00 0.00 56.93 55.48 2k78 s PHE 53 Cb 0.00 -1.46 0.17 0.00 -0.57 0.00 0.00 43.02 41.16 2k78 s PHE 53 CO 0.00 -0.76 1.11 -0.80 -0.10 0.00 0.00 175.22 174.67 2k78 s ASN 54 N 1.64 3.03 0.12 1.36 -0.87 -1.26 -4.98 114.94 113.98 2k78 s ASN 54 Ca 0.02 1.08 -0.09 0.00 -1.57 0.00 0.00 52.86 52.30 2k78 s ASN 54 Cb -0.18 -1.70 -0.00 0.00 -0.02 0.00 0.00 41.25 39.35 2k78 s ASN 54 CO -0.14 -2.86 0.24 -1.59 -2.57 0.00 0.00 177.10 170.17 2k78 s LYS 55 N -5.11 0.98 0.57 -0.60 0.00 -1.26 -4.61 119.74 109.70 2k78 s LYS 55 Ca 0.65 -1.02 -0.09 0.00 0.00 0.00 0.00 55.97 55.50 2k78 s LYS 55 Cb -0.17 0.37 0.13 0.00 0.00 0.00 0.00 37.83 38.16 2k78 s LYS 55 CO 0.56 -0.34 0.77 -0.35 0.00 0.00 0.00 175.35 175.99 2k78 n PRO 56 N -0.13 -0.68 -3.30 1.78 -0.04 -1.26 -5.16 135.00 126.21 2k78 n PRO 56 Ca -0.12 -1.26 -0.19 0.00 -0.04 0.00 0.00 63.50 61.89 2k78 n PRO 56 Cb 0.63 -0.77 -0.00 0.00 -0.04 0.00 0.00 33.50 33.31 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 -3.88 4.34 -0.30 0.55 0.00 -1.01 -4.92 121.76 116.53 2k78 s ALA 57 Ca 0.44 -1.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 2k78 s ALA 57 Cb -0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2k78 s ALA 57 CO 0.31 -0.32 0.13 0.21 0.00 0.00 0.00 175.76 176.08 2k78 s LYS 58 N -4.28 3.36 0.34 0.00 2.20 -1.16 -0.14 119.74 120.06 2k78 s LYS 58 Ca 0.52 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2k78 s LYS 58 Cb -0.06 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 2k78 s LYS 58 CO 0.31 -0.38 0.51 1.52 -0.36 0.00 0.00 175.35 176.94 2k78 s TYR 59 N 1.60 3.30 -0.02 4.03 1.13 0.39 -0.05 117.35 127.73 2k78 s TYR 59 Ca 0.05 0.05 -0.22 0.00 -1.41 0.00 0.00 57.07 55.54 2k78 s TYR 59 Cb -0.17 -1.94 0.05 0.00 -1.10 0.00 0.00 41.96 38.80 2k78 s TYR 59 CO 0.05 0.05 0.49 -1.50 -2.51 0.00 0.00 175.55 172.13 2k78 s ILE 60 N -2.25 0.03 0.31 -3.49 2.07 -1.01 -1.78 121.20 115.09 2k78 s ILE 60 Ca 0.42 -0.26 0.03 0.00 -1.41 0.00 0.00 60.65 59.43 2k78 s ILE 60 Cb -0.10 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2k78 s ILE 60 CO 0.33 -0.14 0.14 -0.54 -1.91 0.00 0.00 174.94 172.82 2k78 s LYS 61 N -1.51 1.60 -0.44 3.50 1.02 0.17 0.23 119.74 124.32 2k78 s LYS 61 Ca -0.11 -1.91 0.08 0.00 0.02 0.00 0.00 55.97 54.05 2k78 s LYS 61 Cb -0.02 -0.24 0.31 0.00 -0.52 0.00 0.00 37.83 37.36 2k78 s LYS 61 CO 0.05 -0.41 0.94 1.63 -0.92 0.00 0.00 175.35 176.65 2k78 n LYS 62 N -0.60 0.95 -3.22 1.68 5.02 0.11 -4.73 118.16 117.37 2k78 n LYS 62 Ca -0.00 -2.38 -0.22 0.00 -2.02 0.00 0.00 58.31 53.69 2k78 n LYS 62 Cb 0.65 -1.29 0.02 0.00 -0.02 0.00 0.00 35.03 34.40 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 0.61 -6.52 0.00 4.39 4.13 -1.26 -3.98 115.26 112.63 2k78 n ASN 63 Ca 0.13 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.63 2k78 n ASN 63 Cb 0.67 -2.92 0.00 0.00 -1.54 0.00 0.00 39.78 35.99 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k78 n GLY 64 N 0.10 0.86 3.57 7.41 0.00 -1.26 -5.07 105.19 110.81 2k78 n GLY 64 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.45 0.79 -0.17 1.61 -2.85 -1.26 -5.13 119.74 112.28 2k78 s LYS 65 Ca 0.00 -0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.32 2k78 s LYS 65 Cb 0.00 0.33 0.14 0.00 -2.06 0.00 0.00 37.83 36.24 2k78 s LYS 65 CO 0.00 -0.35 1.12 -0.48 0.10 0.00 0.00 175.35 175.74 2k78 s LEU 66 N -2.56 -0.23 0.00 2.77 2.34 -1.26 0.08 118.68 119.83 2k78 s LEU 66 Ca 0.08 0.13 0.00 0.00 0.06 0.00 0.00 54.13 54.40 2k78 s LEU 66 Cb -0.01 1.58 0.00 0.00 -0.56 0.00 0.00 46.19 47.20 2k78 s LEU 66 CO -0.06 -0.29 0.00 -1.22 -1.06 0.00 0.00 176.35 173.72 2k78 n TYR 67 N 0.26 0.00 -3.64 3.48 4.02 0.14 -3.50 117.16 117.91 2k78 n TYR 67 Ca -0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.79 2k78 n TYR 67 Cb 0.59 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.40 0.00 -0.16 -0.72 1.01 -0.48 -2.40 120.40 118.04 2k78 s VAL 68 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 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 0.24 0.00 0.00 0.00 0.00 175.10 175.34 2k78 s GLN 69 N 0.63 4.16 -0.01 2.72 -2.07 0.92 -0.58 119.66 125.44 2k78 s GLN 69 Ca -0.01 -0.00 0.03 0.00 -1.82 0.00 0.00 55.36 53.55 2k78 s GLN 69 Cb -0.04 -3.40 -0.03 0.00 -1.09 0.00 0.00 33.01 28.45 2k78 s GLN 69 CO -0.11 0.32 -0.06 -1.50 -1.32 0.00 0.00 175.29 172.62 2k78 s ILE 70 N 0.26 3.68 0.01 3.63 1.10 -0.21 -2.99 121.20 126.68 2k78 s ILE 70 Ca 0.14 -0.73 -0.20 0.00 -0.51 0.00 0.00 60.65 59.35 2k78 s ILE 70 Cb -0.12 -2.59 -0.06 0.00 0.15 0.00 0.00 42.46 39.84 2k78 s ILE 70 CO 0.02 0.42 0.60 -0.89 -2.11 0.00 0.00 174.94 172.98 2k78 s THR 71 N -0.98 4.87 -0.21 4.00 2.01 -1.26 -2.20 115.64 121.87 2k78 s THR 71 Ca 0.17 1.26 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 2k78 s THR 71 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k78 s THR 71 CO 0.07 0.44 0.09 -0.69 -0.69 0.00 0.00 174.62 173.84 2k78 s VAL 72 N -0.35 4.82 -0.21 3.82 1.01 0.44 -4.44 120.40 125.50 2k78 s VAL 72 Ca 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 2k78 s VAL 72 Cb -0.19 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2k78 s VAL 72 CO 0.18 0.40 0.23 0.21 0.00 0.00 0.00 175.10 176.12 2k78 s ASN 73 N 0.83 6.27 -0.14 3.32 3.84 -1.10 -2.47 114.94 125.49 2k78 s ASN 73 Ca 0.05 0.30 -0.10 0.00 0.21 0.00 0.00 52.86 53.32 2k78 s ASN 73 Cb -0.13 -2.14 0.04 0.00 -0.55 0.00 0.00 41.25 38.46 2k78 s ASN 73 CO 0.02 0.07 0.19 1.41 -2.79 0.00 0.00 177.10 176.00 2k78 n HIS 74 N 4.02 -3.44 0.05 0.43 8.25 -1.13 -4.62 115.22 118.78 2k78 n HIS 74 Ca -0.13 2.00 -0.12 0.00 -0.26 0.00 0.00 57.72 59.21 2k78 n HIS 74 Cb 0.52 -3.23 -0.01 0.00 1.12 0.00 0.00 29.99 28.38 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 4.36 0.54 -0.33 0.41 0.87 -1.82 -3.01 113.55 114.57 2k78 h SER 75 Ca -0.44 -0.39 0.10 0.00 -1.23 0.00 0.00 61.79 59.83 2k78 h SER 75 Cb 0.99 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2k78 h SER 75 CO 0.01 1.15 0.49 0.45 -0.53 0.00 0.00 176.83 178.40 2k78 h HIS 76 N 0.28 0.00 0.00 2.24 3.86 -1.91 -2.57 115.15 117.05 2k78 h HIS 76 Ca -0.05 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.94 2k78 h HIS 76 Cb 1.42 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.85 2k78 h HIS 76 CO 0.05 0.00 -1.44 0.91 0.86 0.00 0.00 177.93 178.31 2k78 n TRP 77 N -3.40 0.56 -3.14 2.45 7.02 -1.16 -4.44 117.44 115.33 2k78 n TRP 77 Ca 0.06 0.24 -0.40 0.00 -1.02 0.00 0.00 57.50 56.38 2k78 n TRP 77 Cb 0.64 -0.92 -0.06 0.00 -2.42 0.00 0.00 31.31 28.55 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 -2.46 5.03 -0.09 -0.99 2.07 -0.97 -3.07 121.20 120.73 2k78 s ILE 78 Ca -0.29 1.15 0.15 0.00 -1.41 0.00 0.00 60.65 60.25 2k78 s ILE 78 Cb 0.07 -3.93 -0.13 0.00 0.13 0.00 0.00 42.46 38.60 2k78 s ILE 78 CO 0.46 0.12 0.92 0.00 -1.91 0.00 0.00 174.94 174.54 2k78 h THR 79 N 5.16 0.74 0.00 4.00 1.03 -1.63 -3.43 112.91 118.79 2k78 h THR 79 Ca -0.32 -2.32 0.00 0.00 -0.01 0.00 0.00 66.41 63.76 2k78 h THR 79 Cb 1.15 2.25 0.00 0.00 -1.07 0.00 0.00 68.15 70.48 2k78 h THR 79 CO 0.77 0.42 0.00 0.61 -0.01 0.00 0.00 175.52 177.31 2k78 n GLY 80 N 1.40 -1.16 3.46 2.99 0.00 -1.14 -4.96 105.19 105.78 2k78 n GLY 80 Ca -0.09 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.31 1.31 -0.20 1.61 -1.94 -1.26 -2.84 119.30 114.67 2k78 s MET 81 Ca 0.00 -1.03 -0.19 0.00 -1.71 0.00 0.00 55.69 52.75 2k78 s MET 81 Cb 0.00 0.46 0.05 0.00 2.01 0.00 0.00 34.83 37.35 2k78 s MET 81 CO 0.00 -0.53 0.55 -1.54 -0.01 0.00 0.00 175.02 173.49 2k78 s SER 82 N -2.93 -0.57 -0.01 3.03 1.04 0.45 -2.46 113.70 112.25 2k78 s SER 82 Ca 0.14 1.07 0.04 0.00 0.48 0.00 0.00 55.95 57.68 2k78 s SER 82 Cb 0.01 1.08 -0.01 0.00 0.10 0.00 0.00 66.02 67.20 2k78 s SER 82 CO -0.00 -0.21 -0.13 -0.63 0.98 0.00 0.00 173.24 173.25 2k78 s ILE 83 N 0.20 1.01 0.00 -1.02 1.01 -1.06 0.14 121.20 121.48 2k78 s ILE 83 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k78 s ILE 83 Cb -0.04 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2k78 s ILE 83 CO 0.01 0.28 0.00 1.21 0.00 0.00 0.00 174.94 176.44 2k78 n GLU 84 N 2.74 -0.07 0.00 2.79 0.00 -1.20 -2.97 120.64 121.93 2k78 n GLU 84 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.04 2k78 n GLU 84 Cb 0.56 -3.38 0.00 0.00 0.00 0.00 0.00 31.44 28.62 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 -1.94 1.35 3.12 8.31 0.00 -1.26 -5.07 105.19 109.70 2k78 n GLY 85 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2k78 n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k78 s HIS 86 N -2.00 0.69 1.11 1.61 -3.43 -1.16 -5.14 115.29 106.98 2k78 s HIS 86 Ca 0.00 -0.93 -0.17 0.00 -0.80 0.00 0.00 55.06 53.17 2k78 s HIS 86 Cb 0.00 -0.44 0.24 0.00 -1.43 0.00 0.00 32.58 30.96 2k78 s HIS 86 CO 0.00 -0.24 1.13 0.15 -2.00 0.00 0.00 174.74 173.78 2k78 s LYS 87 N -3.57 -0.49 0.42 -0.38 1.02 -1.26 -2.55 119.74 112.93 2k78 s LYS 87 Ca 0.07 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.20 2k78 s LYS 87 Cb 0.04 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2k78 s LYS 87 CO -0.06 -3.25 0.46 -1.83 -0.92 0.00 0.00 175.35 169.75 2k78 s GLU 88 N -5.33 2.64 -0.13 1.68 -1.05 -1.03 -4.71 118.70 110.76 2k78 s GLU 88 Ca 0.69 -1.43 -0.02 0.00 -0.15 0.00 0.00 54.97 54.06 2k78 s GLU 88 Cb -0.12 -2.53 -0.02 0.00 -0.44 0.00 0.00 34.13 31.02 2k78 s GLU 88 CO 0.56 -0.24 -0.07 -0.80 0.95 0.00 0.00 175.26 175.66 2k78 s ASN 89 N -4.23 4.57 -0.53 0.83 0.02 -1.24 -4.96 114.94 109.39 2k78 s ASN 89 Ca 0.51 -0.16 -0.27 0.00 -1.02 0.00 0.00 52.86 51.92 2k78 s ASN 89 Cb -0.06 -1.64 -0.03 0.00 0.02 0.00 0.00 41.25 39.54 2k78 s ASN 89 CO 0.30 0.20 1.91 0.27 0.02 0.00 0.00 177.10 179.80 2k78 s ILE 90 N 0.17 3.34 -0.13 0.60 -5.25 -1.26 -3.18 121.20 115.49 2k78 s ILE 90 Ca -0.03 0.24 0.14 0.00 -0.99 0.00 0.00 60.65 60.01 2k78 s ILE 90 Cb -0.14 -3.76 -0.24 0.00 2.95 0.00 0.00 42.46 41.27 2k78 s ILE 90 CO 0.03 -0.69 0.33 0.00 -1.79 0.00 0.00 174.94 172.83 2k78 n ILE 91 N 7.35 1.51 -3.09 8.37 3.06 -0.96 -4.89 119.36 130.70 2k78 n ILE 91 Ca 0.23 -0.81 0.03 0.00 -2.50 0.00 0.00 62.75 59.70 2k78 n ILE 91 Cb 0.51 -0.82 -0.00 0.00 0.54 0.00 0.00 39.64 39.87 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 -5.87 -1.02 -0.50 9.51 0.01 -1.23 -4.97 113.70 109.63 2k78 s SER 92 Ca -0.09 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 56.86 2k78 s SER 92 Cb 0.07 1.50 0.07 0.00 0.21 0.00 0.00 66.02 67.87 2k78 s SER 92 CO 0.81 -0.16 0.53 -0.75 0.41 0.00 0.00 173.24 174.09 2k78 s LYS 93 N 2.49 3.06 -0.49 12.44 2.20 -1.26 -1.48 119.74 136.69 2k78 s LYS 93 Ca 0.17 -1.11 -0.18 0.00 -0.36 0.00 0.00 55.97 54.49 2k78 s LYS 93 Cb -0.04 -4.12 0.06 0.00 -1.51 0.00 0.00 37.83 32.22 2k78 s LYS 93 CO -0.19 -1.15 0.53 1.21 -0.36 0.00 0.00 175.35 175.39 2k78 s ASN 94 N 2.70 6.19 0.12 1.43 3.04 0.10 -4.90 114.94 123.62 2k78 s ASN 94 Ca 0.10 -1.09 0.03 0.00 0.04 0.00 0.00 52.86 51.94 2k78 s ASN 94 Cb -0.22 -2.24 -0.18 0.00 -1.54 0.00 0.00 41.25 37.06 2k78 s ASN 94 CO 0.09 -0.79 1.26 0.71 -3.04 0.00 0.00 177.10 175.34 2k78 h THR 95 N 5.82 1.61 -0.45 -5.21 1.35 -1.95 0.14 112.91 114.21 2k78 h THR 95 Ca -0.28 -3.14 -0.02 0.00 -0.55 0.00 0.00 66.41 62.42 2k78 h THR 95 Cb 1.10 2.80 -0.02 0.00 -1.73 0.00 0.00 68.15 70.30 2k78 h THR 95 CO 0.93 0.91 0.21 0.00 -0.25 0.00 0.00 175.52 177.31 2k78 h ALA 96 N 0.87 0.58 -0.54 6.62 0.00 -1.95 -2.62 119.26 122.22 2k78 h ALA 96 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k78 h ALA 96 Cb 1.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2k78 h ALA 96 CO 0.15 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.18 2k78 n LYS 97 N -4.64 2.40 -3.76 0.00 5.02 -1.24 -4.95 118.16 110.99 2k78 n LYS 97 Ca 0.01 -2.17 -0.25 0.00 -2.02 0.00 0.00 58.31 53.88 2k78 n LYS 97 Cb 0.12 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k78 n ASP 98 N 1.29 -2.30 -3.64 4.39 8.00 -0.61 -4.93 116.55 118.75 2k78 n ASP 98 Ca 0.20 -0.94 -0.13 0.00 0.71 0.00 0.00 54.79 54.63 2k78 n ASP 98 Cb 0.53 -3.56 -0.13 0.00 -0.02 0.00 0.00 41.12 37.95 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 -6.11 0.17 0.37 -1.24 2.02 0.40 -2.84 118.70 111.47 2k78 s GLU 99 Ca 0.16 0.73 0.08 0.00 0.02 0.00 0.00 54.97 55.96 2k78 s GLU 99 Cb -0.05 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 2k78 s GLU 99 CO 0.85 -0.32 0.09 0.50 0.02 0.00 0.00 175.26 176.40 2k78 s ARG 100 N 2.44 2.16 0.03 1.61 3.52 -1.03 0.03 118.95 127.71 2k78 s ARG 100 Ca 0.02 -1.79 -0.02 0.00 -0.13 0.00 0.00 55.73 53.81 2k78 s ARG 100 Cb -0.12 -1.96 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 2k78 s ARG 100 CO -0.09 0.02 0.01 0.99 -0.81 0.00 0.00 175.30 175.41 2k78 s THR 101 N -2.55 0.14 -0.05 4.11 2.01 -0.55 0.17 115.64 118.91 2k78 s THR 101 Ca 0.38 -1.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 2k78 s THR 101 Cb 0.02 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.87 2k78 s THR 101 CO 0.21 -0.62 0.17 -0.94 -0.69 0.00 0.00 174.62 172.75 2k78 s SER 102 N -1.90 -0.14 0.02 3.53 1.04 -0.94 -2.27 113.70 113.04 2k78 s SER 102 Ca -0.09 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.43 2k78 s SER 102 Cb -0.04 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.35 2k78 s SER 102 CO -0.03 -0.14 0.42 -0.70 0.98 0.00 0.00 173.24 173.77 2k78 s GLU 103 N -0.25 3.91 -0.02 4.02 2.12 -1.19 -1.05 118.70 126.24 2k78 s GLU 103 Ca -0.03 0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.74 2k78 s GLU 103 Cb -0.03 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 2k78 s GLU 103 CO 0.01 0.67 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.18 2k78 s PHE 104 N -1.13 1.42 -0.20 5.30 0.08 0.25 -3.71 117.98 120.00 2k78 s PHE 104 Ca 0.25 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 2k78 s PHE 104 Cb -0.16 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 2k78 s PHE 104 CO 0.14 -0.06 0.21 -2.00 -0.10 0.00 0.00 175.22 173.42 2k78 s GLU 105 N -0.23 4.18 -0.00 0.44 -6.30 -1.26 -1.38 118.70 114.14 2k78 s GLU 105 Ca 0.03 -0.10 -0.15 0.00 -2.50 0.00 0.00 54.97 52.26 2k78 s GLU 105 Cb -0.07 -3.47 0.02 0.00 0.00 0.00 0.00 34.13 30.61 2k78 s GLU 105 CO 0.00 0.18 0.31 0.54 0.02 0.00 0.00 175.26 176.31 2k78 s VAL 106 N 0.69 0.06 -0.23 3.70 0.11 -1.23 -4.82 120.40 118.69 2k78 s VAL 106 Ca 0.11 -0.53 -0.28 0.00 -2.93 0.00 0.00 61.98 58.36 2k78 s VAL 106 Cb -0.13 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2k78 s VAL 106 CO 0.02 -0.29 2.03 -0.55 -3.33 0.00 0.00 175.10 172.99 2k78 s SER 107 N -1.50 5.73 0.31 3.54 0.15 -1.26 -4.67 113.70 115.99 2k78 s SER 107 Ca -0.12 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2k78 s SER 107 Cb -0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2k78 s SER 107 CO 0.03 -1.76 0.00 0.29 1.20 0.00 0.00 173.24 172.99 2k78 n LYS 108 N 8.49 0.00 -2.97 5.44 4.76 -1.26 -4.69 118.16 127.92 2k78 n LYS 108 Ca 0.26 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.54 2k78 n LYS 108 Cb 0.45 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.63 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k78 n LEU 109 N 0.00 -1.47 -3.05 -0.35 -0.00 -1.26 -5.01 117.00 105.86 2k78 n LEU 109 Ca 0.00 -3.95 -0.18 0.00 -0.00 0.00 0.00 56.01 51.88 2k78 n LEU 109 Cb 0.00 0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 44.13 2k78 n LEU 109 CO 0.00 2.02 -0.12 -3.20 -0.00 0.00 0.00 177.39 176.09 2k78 n ASN 110 N 1.67 -0.63 0.00 1.45 5.15 -1.25 -0.27 115.26 121.38 2k78 n ASN 110 Ca 0.16 -2.97 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 2k78 n ASN 110 Cb 0.58 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.97 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 1.19 -0.47 3.43 8.20 0.00 -0.34 -4.97 105.19 112.22 2k78 n GLY 111 Ca 0.18 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 2k78 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s LYS 112 N 0.00 1.04 0.03 1.61 0.00 -1.26 -1.53 119.74 119.64 2k78 s LYS 112 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 55.97 55.89 2k78 s LYS 112 Cb 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 37.83 38.29 2k78 s LYS 112 CO 0.00 -0.37 -0.07 0.42 0.00 0.00 0.00 175.35 175.34 2k78 s ILE 113 N -2.10 0.45 -0.60 3.79 -1.09 -0.81 -4.95 121.20 115.89 2k78 s ILE 113 Ca -0.07 -0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 57.09 2k78 s ILE 113 Cb -0.01 -0.52 0.01 0.00 -1.58 0.00 0.00 42.46 40.36 2k78 s ILE 113 CO 0.01 -0.36 1.42 -1.81 -1.23 0.00 0.00 174.94 172.97 2k78 s ASP 114 N -1.44 6.07 0.56 3.58 1.11 -1.26 -1.92 116.67 123.37 2k78 s ASP 114 Ca -0.10 0.16 0.06 0.00 0.18 0.00 0.00 52.55 52.84 2k78 s ASP 114 Cb -0.09 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.40 2k78 s ASP 114 CO 0.00 -1.78 0.44 -0.83 1.18 0.00 0.00 175.17 174.18 2k78 s GLY 115 N 4.59 2.34 0.18 0.21 0.00 -1.11 -3.22 107.32 110.31 2k78 s GLY 115 Ca 0.50 -1.25 -0.06 0.00 0.00 0.00 0.00 44.72 43.92 2k78 s GLY 115 CO 0.23 -1.94 0.24 0.54 0.00 0.00 0.00 173.10 172.17 2k78 s LYS 116 N -4.33 1.20 0.02 2.90 1.02 0.36 -3.04 119.74 117.87 2k78 s LYS 116 Ca 0.35 -1.36 -0.26 0.00 0.02 0.00 0.00 55.97 54.72 2k78 s LYS 116 Cb -0.03 0.34 0.06 0.00 -0.52 0.00 0.00 37.83 37.69 2k78 s LYS 116 CO 0.22 -0.43 0.59 -1.50 -0.92 0.00 0.00 175.35 173.31 2k78 s ILE 117 N -4.04 0.01 0.23 2.17 2.07 0.85 0.17 121.20 122.66 2k78 s ILE 117 Ca 0.25 -0.12 0.09 0.00 -1.41 0.00 0.00 60.65 59.46 2k78 s ILE 117 Cb 0.04 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2k78 s ILE 117 CO 0.05 -0.06 0.01 -1.81 -1.91 0.00 0.00 174.94 171.22 2k78 s ASP 118 N -1.71 4.70 0.02 4.50 1.01 -1.13 -0.57 116.67 123.50 2k78 s ASP 118 Ca -0.07 -0.52 -0.03 0.00 0.71 0.00 0.00 52.55 52.64 2k78 s ASP 118 Cb -0.01 -0.95 -0.02 0.00 1.01 0.00 0.00 42.92 42.96 2k78 s ASP 118 CO 0.02 0.03 0.03 -0.69 0.21 0.00 0.00 175.17 174.77 2k78 s VAL 119 N -2.07 0.12 -0.21 -1.27 1.01 -0.78 -2.28 120.40 114.92 2k78 s VAL 119 Ca 0.30 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2k78 s VAL 119 Cb -0.08 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 35.90 2k78 s VAL 119 CO 0.20 -0.53 0.39 -0.47 0.00 0.00 0.00 175.10 174.69 2k78 s TYR 120 N -1.83 -0.78 0.02 5.22 6.14 -1.17 -2.55 117.35 122.41 2k78 s TYR 120 Ca -0.12 1.28 -0.02 0.00 0.64 0.00 0.00 57.07 58.85 2k78 s TYR 120 Cb -0.07 0.20 -0.02 0.00 0.42 0.00 0.00 41.96 42.49 2k78 s TYR 120 CO -0.02 -0.54 0.01 0.42 0.64 0.00 0.00 175.55 176.06 2k78 s ILE 121 N 2.58 0.12 -0.34 3.14 1.01 0.32 -4.49 121.20 123.54 2k78 s ILE 121 Ca 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.71 2k78 s ILE 121 Cb -0.13 -0.53 0.19 0.00 0.01 0.00 0.00 42.46 42.00 2k78 s ILE 121 CO -0.13 -0.57 0.62 1.51 0.00 0.00 0.00 174.94 176.37 2k78 s ASP 122 N -1.73 -1.55 -0.08 3.58 1.47 -1.25 -1.65 116.67 115.44 2k78 s ASP 122 Ca -0.11 -0.21 -0.32 0.00 1.18 0.00 0.00 52.55 53.09 2k78 s ASP 122 Cb -0.06 1.97 0.12 0.00 -0.34 0.00 0.00 42.92 44.61 2k78 s ASP 122 CO -0.02 -0.24 1.15 -1.83 0.68 0.00 0.00 175.17 174.91 2k78 s GLU 123 N 2.42 0.50 -0.39 2.11 -1.05 -1.12 -5.00 118.70 116.18 2k78 s GLU 123 Ca 0.13 -0.23 -0.23 0.00 -0.15 0.00 0.00 54.97 54.49 2k78 s GLU 123 Cb -0.07 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 2k78 s GLU 123 CO -0.18 -0.22 0.80 0.15 0.95 0.00 0.00 175.26 176.76 2k78 s LYS 124 N -2.62 3.65 -0.93 -4.83 1.02 -1.26 0.43 119.74 115.20 2k78 s LYS 124 Ca 0.10 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.06 2k78 s LYS 124 Cb 0.01 -3.85 0.02 0.00 -0.52 0.00 0.00 37.83 33.48 2k78 s LYS 124 CO -0.04 -0.95 1.60 0.08 -0.92 0.00 0.00 175.35 175.11 2k78 s VAL 125 N 3.22 3.73 -1.17 3.17 1.01 0.39 -3.84 120.40 126.89 2k78 s VAL 125 Ca 0.32 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2k78 s VAL 125 Cb -0.13 -4.67 0.01 0.00 0.00 0.00 0.00 36.38 31.59 2k78 s VAL 125 CO 0.19 -1.58 1.01 -3.20 0.00 0.00 0.00 175.10 171.52 2k78 n ASN 126 N 10.65 -4.66 -0.02 3.32 5.15 -1.26 -2.96 115.26 125.49 2k78 n ASN 126 Ca 0.31 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 2k78 n ASN 126 Cb 0.50 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k78 n GLY 127 N -1.62 1.03 2.71 8.20 0.00 -1.25 -5.05 105.19 109.21 2k78 n GLY 127 Ca -0.08 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 2k78 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 128 N -2.79 0.28 -0.27 1.61 1.02 -1.15 -5.08 119.74 113.35 2k78 s LYS 128 Ca 0.00 -0.20 -0.35 0.00 0.02 0.00 0.00 55.97 55.44 2k78 s LYS 128 Cb 0.00 -0.82 -0.11 0.00 -0.52 0.00 0.00 37.83 36.38 2k78 s LYS 128 CO 0.00 -0.99 2.08 -2.30 -0.92 0.00 0.00 175.35 173.22 2k78 n PRO 129 N 5.30 1.41 -3.93 -1.68 -0.02 -1.26 0.15 135.00 134.97 2k78 n PRO 129 Ca -0.03 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 2k78 n PRO 129 Cb 0.46 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k78 s PHE 130 N 6.33 2.95 -0.05 6.00 5.36 0.17 -4.86 117.98 133.88 2k78 s PHE 130 Ca 1.04 -0.97 -0.02 0.00 -0.96 0.00 0.00 56.93 56.01 2k78 s PHE 130 Cb -0.79 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 39.76 2k78 s PHE 130 CO 0.50 -0.56 0.08 0.21 -1.46 0.00 0.00 175.22 173.99 2k78 s LYS 131 N 1.45 3.14 -0.25 10.12 2.20 -1.26 -2.79 119.74 132.35 2k78 s LYS 131 Ca 0.06 -0.38 -0.09 0.00 -0.36 0.00 0.00 55.97 55.20 2k78 s LYS 131 Cb -0.14 -2.92 0.11 0.00 -1.51 0.00 0.00 37.83 33.36 2k78 s LYS 131 CO -0.04 0.69 0.56 -0.47 -0.36 0.00 0.00 175.35 175.73 2k78 s TYR 132 N -1.07 -1.09 -0.39 4.03 5.04 -0.66 -4.93 117.35 118.28 2k78 s TYR 132 Ca 0.19 1.97 -0.00 0.00 -2.44 0.00 0.00 57.07 56.78 2k78 s TYR 132 Cb -0.12 0.58 0.19 0.00 0.35 0.00 0.00 41.96 42.96 2k78 s TYR 132 CO 0.09 -0.57 0.87 0.16 -1.34 0.00 0.00 175.55 174.75 2k78 s ASP 133 N 2.63 -0.91 0.09 4.32 1.47 -1.25 0.12 116.67 123.14 2k78 s ASP 133 Ca -0.05 -0.66 -0.02 0.00 1.18 0.00 0.00 52.55 53.00 2k78 s ASP 133 Cb -0.11 1.17 0.01 0.00 -0.34 0.00 0.00 42.92 43.64 2k78 s ASP 133 CO -0.16 -0.08 0.16 1.41 0.68 0.00 0.00 175.17 177.17 2k78 n HIS 134 N 3.62 -0.97 -3.87 2.11 8.25 -1.06 -5.00 115.22 118.32 2k78 n HIS 134 Ca 0.10 -0.54 -0.32 0.00 -0.26 0.00 0.00 57.72 56.71 2k78 n HIS 134 Cb 0.60 0.18 -0.12 0.00 1.12 0.00 0.00 29.99 31.77 2k78 n HIS 134 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k78 s HIS 135 N -5.68 3.34 0.75 4.41 3.76 -1.26 -1.87 115.29 118.74 2k78 s HIS 135 Ca 0.06 -3.09 -0.08 0.00 -0.15 0.00 0.00 55.06 51.80 2k78 s HIS 135 Cb -0.01 -2.92 0.16 0.00 1.11 0.00 0.00 32.58 30.93 2k78 s HIS 135 CO 0.04 -0.73 1.02 0.66 -0.85 0.00 0.00 174.74 174.88 2k78 n TYR 136 N 2.94 -3.55 -4.04 1.40 4.01 0.27 -4.84 117.16 113.35 2k78 n TYR 136 Ca 0.09 -1.24 -0.10 0.00 -0.16 0.00 0.00 57.90 56.50 2k78 n TYR 136 Cb 0.34 -0.77 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 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 -4.88 -0.04 0.19 7.72 2.20 -1.26 -0.10 114.94 118.77 2k78 s ASN 137 Ca 0.61 -1.02 -0.19 0.00 -0.94 0.00 0.00 52.86 51.32 2k78 s ASN 137 Cb -0.02 0.54 0.04 0.00 -2.00 0.00 0.00 41.25 39.81 2k78 s ASN 137 CO 0.42 -1.08 0.56 0.27 -2.94 0.00 0.00 177.10 174.33 2k78 s ILE 138 N -4.05 0.02 -0.18 0.54 -4.36 -1.17 -4.48 121.20 107.52 2k78 s ILE 138 Ca 0.26 -0.60 -0.18 0.00 -0.26 0.00 0.00 60.65 59.87 2k78 s ILE 138 Cb 0.01 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 2k78 s ILE 138 CO 0.10 -0.09 0.50 -0.89 0.24 0.00 0.00 174.94 174.80 2k78 s THR 139 N -3.84 5.13 0.32 8.37 2.01 -0.62 -2.77 115.64 124.24 2k78 s THR 139 Ca 0.07 0.94 -0.07 0.00 0.31 0.00 0.00 61.69 62.93 2k78 s THR 139 Cb -0.01 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 2k78 s THR 139 CO -0.05 0.21 0.62 -0.31 -0.69 0.00 0.00 174.62 174.40 2k78 s TYR 140 N 1.43 3.47 -0.26 4.92 1.51 -0.81 -0.54 117.35 127.06 2k78 s TYR 140 Ca 0.24 0.80 -0.03 0.00 -1.01 0.00 0.00 57.07 57.07 2k78 s TYR 140 Cb -0.15 -2.23 0.10 0.00 -0.11 0.00 0.00 41.96 39.56 2k78 s TYR 140 CO 0.10 0.10 0.17 0.21 -1.11 0.00 0.00 175.55 175.01 2k78 s LYS 141 N -3.54 0.20 0.27 -0.62 2.20 0.40 -1.93 119.74 116.72 2k78 s LYS 141 Ca 0.47 -0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 55.73 2k78 s LYS 141 Cb -0.11 -1.18 -0.06 0.00 -1.51 0.00 0.00 37.83 34.98 2k78 s LYS 141 CO 0.29 -0.92 0.54 -0.06 -0.36 0.00 0.00 175.35 174.84 2k78 s PHE 142 N 2.19 3.47 -0.30 4.03 0.08 -0.58 0.15 117.98 127.01 2k78 s PHE 142 Ca 0.08 0.67 -0.02 0.00 0.12 0.00 0.00 56.93 57.78 2k78 s PHE 142 Cb -0.16 -2.12 0.12 0.00 -0.57 0.00 0.00 43.02 40.29 2k78 s PHE 142 CO -0.29 0.21 0.21 -0.80 -0.10 0.00 0.00 175.22 174.45 2k78 s ASN 143 N -2.97 2.76 0.00 1.36 0.01 0.31 -1.20 114.94 115.20 2k78 s ASN 143 Ca 0.44 -1.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 2k78 s ASN 143 Cb -0.11 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2k78 s ASN 143 CO 0.28 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 2k78 n GLY 144 N 5.03 3.94 0.00 0.66 0.00 0.63 -2.54 105.19 112.90 2k78 n GLY 144 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.72 0.08 1.61 -0.04 -1.26 -4.74 135.00 129.93 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 -2.24 0.00 0.00 0.52 -2.24 -1.26 -4.36 114.28 104.70 2k78 n THR 146 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k78 n THR 146 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.90 0.00 -3.42 3.42 2.03 -1.26 -4.95 116.55 109.47 2k78 n ASP 147 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2k78 n ASP 147 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.49 -7.81 -2.04 5.18 0.31 -1.26 -4.92 118.33 106.30 2k78 n VAL 148 Ca 0.00 -1.17 -0.05 0.00 -0.01 0.00 0.00 64.34 63.11 2k78 n VAL 148 Cb 0.00 -5.65 -0.05 0.00 -0.91 0.00 0.00 33.84 27.23 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 -3.62 3.43 -0.80 3.52 0.00 -1.26 -5.15 120.51 116.63 2k78 n ALA 149 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2k78 n ALA 149 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91