#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k78 s ALA 26 N 0.00 -0.76 -1.30 -0.43 0.00 -1.26 -4.89 121.76 113.12 2k78 s ALA 26 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 2k78 s ALA 26 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2k78 s ALA 26 CO 0.00 -1.66 0.54 -1.71 0.00 0.00 0.00 175.76 172.93 2k78 n ASN 27 N 5.33 -5.43 -3.62 0.00 2.85 -1.26 -4.96 115.26 108.18 2k78 n ASN 27 Ca -0.01 -0.25 -0.03 0.00 -0.11 0.00 0.00 54.58 54.17 2k78 n ASN 27 Cb 0.48 -4.25 -0.02 0.00 1.24 0.00 0.00 39.78 37.23 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 -3.09 -2.14 0.00 5.20 0.00 -1.26 -5.19 121.76 115.29 2k78 s ALA 28 Ca 0.27 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.93 2k78 s ALA 28 Cb -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2k78 s ALA 28 CO 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 175.76 175.50 2k78 n ALA 29 N -0.07 0.00 -1.96 0.00 0.00 -1.26 -4.81 120.51 112.41 2k78 n ALA 29 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 2k78 n ALA 29 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 2k78 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k78 n ASP 30 N -0.04 -4.28 -3.64 0.00 8.00 -1.26 -4.84 116.55 110.49 2k78 n ASP 30 Ca 0.00 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.64 2k78 n ASP 30 Cb 0.00 -3.75 -0.07 0.00 -0.02 0.00 0.00 41.12 37.28 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 -2.15 -0.85 -0.05 -2.24 0.15 -1.26 0.16 113.70 107.46 2k78 s SER 31 Ca 0.00 1.48 -0.29 0.00 0.70 0.00 0.00 55.95 57.83 2k78 s SER 31 Cb 0.00 1.42 0.10 0.00 -1.71 0.00 0.00 66.02 65.83 2k78 s SER 31 CO 0.00 -0.24 1.32 -0.83 1.20 0.00 0.00 173.24 174.69 2k78 s GLY 32 N 1.05 -0.18 -0.41 9.45 0.00 -0.58 -4.99 107.32 111.66 2k78 s GLY 32 Ca -0.05 0.13 -0.23 0.00 0.00 0.00 0.00 44.72 44.57 2k78 s GLY 32 CO -0.10 5.79 0.76 -0.51 0.00 0.00 0.00 173.10 179.04 2k78 s THR 33 N -2.03 4.71 0.10 0.90 -4.23 -1.26 -0.36 115.64 113.47 2k78 s THR 33 Ca 0.30 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 61.34 2k78 s THR 33 Cb 0.00 -4.25 -0.06 0.00 1.34 0.00 0.00 72.50 69.54 2k78 s THR 33 CO -0.02 -0.56 0.39 -0.22 -0.54 0.00 0.00 174.62 173.67 2k78 s LEU 34 N 3.14 4.32 0.07 4.79 0.20 -0.73 -4.88 118.68 125.59 2k78 s LEU 34 Ca 0.30 0.71 -0.29 0.00 0.69 0.00 0.00 54.13 55.54 2k78 s LEU 34 Cb -0.13 -3.09 -0.05 0.00 -0.43 0.00 0.00 46.19 42.49 2k78 s LEU 34 CO 0.20 0.13 0.94 0.21 -0.29 0.00 0.00 176.35 177.53 2k78 s ASN 35 N -1.99 7.42 0.06 3.68 3.04 -1.06 -2.74 114.94 123.35 2k78 s ASN 35 Ca 0.36 1.70 -0.27 0.00 0.04 0.00 0.00 52.86 54.69 2k78 s ASN 35 Cb -0.13 -2.57 0.09 0.00 -1.54 0.00 0.00 41.25 37.10 2k78 s ASN 35 CO 0.20 -0.11 0.86 -0.72 -3.04 0.00 0.00 177.10 174.29 2k78 s TYR 36 N 0.31 -0.31 0.00 0.43 -0.85 -1.26 -0.23 117.35 115.43 2k78 s TYR 36 Ca 0.47 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 57.14 2k78 s TYR 36 Cb -0.22 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.69 2k78 s TYR 36 CO 0.28 -0.67 0.00 -1.91 -1.52 0.00 0.00 175.55 171.73 2k78 n GLU 37 N -0.32 0.00 -3.65 -3.49 4.07 -0.84 -4.82 120.64 111.59 2k78 n GLU 37 Ca -0.09 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.81 2k78 n GLU 37 Cb 0.62 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.83 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2k78 s VAL 38 N -2.73 -0.15 0.33 6.31 -7.23 -1.26 -1.93 120.40 113.74 2k78 s VAL 38 Ca 0.00 0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 2k78 s VAL 38 Cb 0.00 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 2k78 s VAL 38 CO 0.00 0.08 0.61 -0.31 -0.31 0.00 0.00 175.10 175.17 2k78 s TYR 39 N 2.20 3.48 0.07 2.82 2.02 -0.94 -4.00 117.35 123.00 2k78 s TYR 39 Ca 0.04 0.71 -0.31 0.00 -0.37 0.00 0.00 57.07 57.14 2k78 s TYR 39 Cb -0.13 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.19 2k78 s TYR 39 CO -0.05 0.08 1.51 0.21 -1.57 0.00 0.00 175.55 175.73 2k78 s LYS 40 N -3.76 4.25 0.56 -0.62 2.36 -1.23 -2.33 119.74 118.97 2k78 s LYS 40 Ca 0.45 2.17 -0.21 0.00 -2.55 0.00 0.00 55.97 55.83 2k78 s LYS 40 Cb -0.10 -3.46 -0.05 0.00 -1.05 0.00 0.00 37.83 33.17 2k78 s LYS 40 CO 0.32 -0.60 1.15 0.98 1.55 0.00 0.00 175.35 178.75 2k78 n TYR 41 N 4.95 1.55 -0.82 4.03 9.36 -1.26 -1.32 117.16 133.65 2k78 n TYR 41 Ca 0.14 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.81 2k78 n TYR 41 Cb 0.42 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 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 -0.75 0.00 -0.89 2.98 5.15 -1.26 -4.93 115.26 115.57 2k78 n ASN 42 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2k78 n ASN 42 Cb 0.45 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 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 -2.09 -0.44 -2.24 -0.44 -5.08 114.28 101.99 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 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.39 0.80 -3.76 3.42 5.03 -1.26 -4.67 115.26 112.43 2k78 n ASN 44 Ca 0.00 -2.28 -0.23 0.00 0.87 0.00 0.00 54.58 52.93 2k78 n ASN 44 Cb 0.00 -0.30 -0.17 0.00 -1.02 0.00 0.00 39.78 38.29 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2k78 s ASP 45 N -1.81 1.74 -0.24 6.41 -1.08 -1.26 -4.93 116.67 115.50 2k78 s ASP 45 Ca 0.21 -0.18 -0.39 0.00 -0.52 0.00 0.00 52.55 51.67 2k78 s ASP 45 Cb 0.23 -0.45 -0.15 0.00 -1.46 0.00 0.00 42.92 41.09 2k78 s ASP 45 CO -0.08 -0.21 1.74 0.35 0.52 0.00 0.00 175.17 177.49 2k78 n THR 46 N 5.14 0.32 0.00 1.71 -2.24 -1.26 -3.49 114.28 114.46 2k78 n THR 46 Ca -0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2k78 n THR 46 Cb 0.50 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 5.38 2.08 0.00 3.42 7.64 -1.26 -4.88 113.62 126.00 2k78 n SER 47 Ca 0.26 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2k78 n SER 47 Cb 0.15 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.73 0.00 0.23 0.44 5.41 -1.26 -4.86 119.36 118.59 2k78 n ILE 48 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 2k78 n ILE 48 Cb 0.00 -0.07 0.65 0.00 -0.71 0.00 0.00 39.64 39.51 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 1.77 -0.36 -1.39 0.00 -1.95 -0.82 119.26 116.51 2k78 h ALA 49 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k78 h ALA 49 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2k78 h ALA 49 CO 0.00 -0.63 0.24 -0.97 0.00 0.00 0.00 179.25 177.90 2k78 h ASN 50 N 0.00 0.33 -0.58 0.00 -1.24 -1.89 -1.81 115.58 110.39 2k78 h ASN 50 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2k78 h ASN 50 Cb 1.14 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.12 2k78 h ASN 50 CO -0.00 0.23 0.00 0.47 -1.29 0.00 0.00 177.43 176.84 2k78 n ASP 51 N -4.49 4.74 0.00 1.15 9.92 -0.31 -4.31 116.55 123.26 2k78 n ASP 51 Ca 0.03 -2.56 0.11 0.00 -0.53 0.00 0.00 54.79 51.84 2k78 n ASP 51 Cb 0.15 -0.57 -0.13 0.00 -0.64 0.00 0.00 41.12 39.93 2k78 n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k78 n TYR 52 N 0.83 0.10 -4.75 1.24 9.36 -0.68 -4.92 117.16 118.34 2k78 n TYR 52 Ca 0.25 0.03 -0.25 0.00 3.32 0.00 0.00 57.90 61.24 2k78 n TYR 52 Cb 0.92 -0.43 -0.16 0.00 -0.63 0.00 0.00 39.34 39.03 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 -3.38 1.61 -0.31 2.98 -0.71 -1.25 -2.90 117.98 114.01 2k78 s PHE 53 Ca -0.03 -0.49 -0.29 0.00 -1.04 0.00 0.00 56.93 55.08 2k78 s PHE 53 Cb 0.14 -1.10 -0.00 0.00 -1.21 0.00 0.00 43.02 40.85 2k78 s PHE 53 CO 0.88 -0.18 1.37 1.21 -1.34 0.00 0.00 175.22 177.16 2k78 s ASN 54 N 0.17 6.55 0.42 1.98 2.47 -1.25 -5.01 114.94 120.28 2k78 s ASN 54 Ca -0.06 1.18 -0.00 0.00 0.42 0.00 0.00 52.86 54.39 2k78 s ASN 54 Cb -0.12 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.12 2k78 s ASN 54 CO 0.02 -1.19 0.65 -1.59 -3.72 0.00 0.00 177.10 171.28 2k78 s LYS 55 N 4.41 3.27 0.51 0.43 -2.85 -1.26 -4.53 119.74 119.73 2k78 s LYS 55 Ca 0.59 -0.34 -0.07 0.00 -1.00 0.00 0.00 55.97 55.16 2k78 s LYS 55 Cb -0.17 -2.56 0.11 0.00 -2.06 0.00 0.00 37.83 33.15 2k78 s LYS 55 CO 0.26 -0.13 0.70 -0.35 0.10 0.00 0.00 175.35 175.93 2k78 n PRO 56 N -2.01 -0.49 -1.47 1.78 -0.04 -1.26 -5.15 135.00 126.35 2k78 n PRO 56 Ca -0.01 -1.24 -0.04 0.00 -0.04 0.00 0.00 63.50 62.17 2k78 n PRO 56 Cb 0.57 -0.67 0.01 0.00 -0.04 0.00 0.00 33.50 33.37 2k78 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k78 n ALA 57 N -3.35 0.19 -3.97 0.55 0.00 -1.11 -4.95 120.51 107.88 2k78 n ALA 57 Ca -0.11 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2k78 n ALA 57 Cb 0.32 0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 2k78 n ALA 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k78 s LYS 58 N -2.42 1.84 0.39 0.00 2.20 -1.17 -1.77 119.74 118.80 2k78 s LYS 58 Ca 0.09 -0.84 0.04 0.00 -0.36 0.00 0.00 55.97 54.90 2k78 s LYS 58 Cb -0.01 -2.41 -0.00 0.00 -1.51 0.00 0.00 37.83 33.90 2k78 s LYS 58 CO 0.06 -0.48 0.56 1.52 -0.36 0.00 0.00 175.35 176.65 2k78 s TYR 59 N 1.42 3.13 0.08 4.03 1.13 0.52 -0.12 117.35 127.54 2k78 s TYR 59 Ca -0.02 -0.06 -0.20 0.00 -1.41 0.00 0.00 57.07 55.38 2k78 s TYR 59 Cb -0.17 -2.16 0.05 0.00 -1.10 0.00 0.00 41.96 38.57 2k78 s TYR 59 CO -0.07 -0.20 0.48 -1.50 -2.51 0.00 0.00 175.55 171.74 2k78 s ILE 60 N -2.35 0.04 0.25 -3.49 2.07 0.26 -1.53 121.20 116.46 2k78 s ILE 60 Ca 0.47 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 59.38 2k78 s ILE 60 Cb -0.10 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 2k78 s ILE 60 CO 0.34 -0.19 0.20 -0.54 -1.91 0.00 0.00 174.94 172.84 2k78 s LYS 61 N -2.98 1.43 -0.46 3.50 1.02 0.43 0.05 119.74 122.73 2k78 s LYS 61 Ca -0.02 -1.76 0.06 0.00 0.02 0.00 0.00 55.97 54.27 2k78 s LYS 61 Cb -0.00 0.30 0.30 0.00 -0.52 0.00 0.00 37.83 37.92 2k78 s LYS 61 CO -0.06 -0.50 1.04 1.63 -0.92 0.00 0.00 175.35 176.54 2k78 n LYS 62 N -0.41 0.96 -3.28 1.68 5.02 0.31 -4.71 118.16 117.74 2k78 n LYS 62 Ca 0.04 -1.99 -0.24 0.00 -2.02 0.00 0.00 58.31 54.10 2k78 n LYS 62 Cb 0.64 -1.16 0.02 0.00 -0.02 0.00 0.00 35.03 34.52 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 0.64 -6.32 0.00 4.39 4.13 -1.26 -3.97 115.26 112.87 2k78 n ASN 63 Ca 0.08 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.52 2k78 n ASN 63 Cb 0.68 -2.56 0.00 0.00 -1.54 0.00 0.00 39.78 36.36 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 0.14 1.00 3.58 7.41 0.00 -1.26 -5.07 105.19 110.98 2k78 n GLY 64 Ca -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.52 1.03 -0.25 1.61 -2.85 -1.25 -5.18 119.74 112.32 2k78 s LYS 65 Ca 0.00 -0.45 -0.27 0.00 -1.00 0.00 0.00 55.97 54.25 2k78 s LYS 65 Cb 0.00 0.42 0.15 0.00 -2.06 0.00 0.00 37.83 36.35 2k78 s LYS 65 CO 0.00 -0.46 1.18 -0.48 0.10 0.00 0.00 175.35 175.69 2k78 s LEU 66 N -2.66 -0.26 0.26 2.77 2.34 -1.26 -0.53 118.68 119.34 2k78 s LEU 66 Ca 0.07 0.41 0.02 0.00 0.06 0.00 0.00 54.13 54.68 2k78 s LEU 66 Cb -0.01 1.55 -0.04 0.00 -0.56 0.00 0.00 46.19 47.13 2k78 s LEU 66 CO -0.06 -0.15 0.17 -0.31 -1.06 0.00 0.00 176.35 174.94 2k78 s TYR 67 N -0.43 1.42 -0.02 3.48 1.51 0.11 -3.53 117.35 119.89 2k78 s TYR 67 Ca 0.04 -1.45 -0.03 0.00 -1.01 0.00 0.00 57.07 54.62 2k78 s TYR 67 Cb -0.03 -0.67 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 2k78 s TYR 67 CO -0.07 -0.67 0.07 0.08 -1.11 0.00 0.00 175.55 173.86 2k78 s VAL 68 N -3.85 0.02 -0.15 0.71 1.01 -0.00 0.92 120.40 119.06 2k78 s VAL 68 Ca 0.39 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 2k78 s VAL 68 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2k78 s VAL 68 CO 0.17 -0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.41 2k78 s GLN 69 N -0.28 4.09 -0.11 2.72 1.03 0.83 0.53 119.66 128.46 2k78 s GLN 69 Ca -0.03 -0.01 0.00 0.00 0.04 0.00 0.00 55.36 55.36 2k78 s GLN 69 Cb -0.02 -3.37 -0.02 0.00 0.03 0.00 0.00 33.01 29.63 2k78 s GLN 69 CO 0.00 0.37 -0.12 0.42 -2.54 0.00 0.00 175.29 173.42 2k78 s ILE 70 N 0.09 3.16 -0.17 3.63 1.09 0.65 -3.06 121.20 126.58 2k78 s ILE 70 Ca 0.14 -0.64 -0.20 0.00 -1.10 0.00 0.00 60.65 58.85 2k78 s ILE 70 Cb -0.13 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.94 2k78 s ILE 70 CO 0.03 0.54 0.60 -0.89 -0.10 0.00 0.00 174.94 175.12 2k78 s THR 71 N 0.06 5.06 -0.15 2.92 2.01 -1.26 -1.87 115.64 122.40 2k78 s THR 71 Ca -0.04 1.16 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 2k78 s THR 71 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2k78 s THR 71 CO 0.04 0.16 0.07 0.68 -0.69 0.00 0.00 174.62 174.89 2k78 s VAL 72 N 1.57 4.92 -0.01 3.82 -7.23 0.14 -3.92 120.40 119.69 2k78 s VAL 72 Ca 0.29 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2k78 s VAL 72 Cb -0.16 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2k78 s VAL 72 CO 0.11 0.52 0.13 0.20 -0.31 0.00 0.00 175.10 175.76 2k78 s ASN 73 N -0.20 6.04 -0.24 4.85 -0.87 -1.14 -2.68 114.94 120.70 2k78 s ASN 73 Ca 0.08 0.26 -0.07 0.00 -1.57 0.00 0.00 52.86 51.56 2k78 s ASN 73 Cb -0.12 -1.83 0.01 0.00 -0.02 0.00 0.00 41.25 39.29 2k78 s ASN 73 CO 0.01 0.28 0.17 1.41 -2.57 0.00 0.00 177.10 176.39 2k78 n HIS 74 N 1.12 -2.40 -0.18 2.20 8.25 -0.92 -4.50 115.22 118.79 2k78 n HIS 74 Ca -0.12 1.04 0.07 0.00 -0.26 0.00 0.00 57.72 58.44 2k78 n HIS 74 Cb 0.53 -2.71 0.36 0.00 1.12 0.00 0.00 29.99 29.29 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 2.98 0.65 -0.60 0.41 4.64 -1.84 -0.88 113.55 118.92 2k78 h SER 75 Ca -0.07 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2k78 h SER 75 Cb 0.66 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 2k78 h SER 75 CO 0.10 0.41 0.41 0.45 -0.87 0.00 0.00 176.83 177.32 2k78 h HIS 76 N 0.73 0.33 0.18 4.77 3.86 -1.87 -2.99 115.15 120.16 2k78 h HIS 76 Ca 0.32 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 2k78 h HIS 76 Cb 0.31 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2k78 h HIS 76 CO -0.00 0.15 -0.08 -1.49 0.86 0.00 0.00 177.93 177.36 2k78 h TRP 77 N 0.30 -0.22 -3.48 2.45 4.06 -1.37 -3.34 115.95 114.34 2k78 h TRP 77 Ca 0.28 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.62 2k78 h TRP 77 Cb 0.70 0.07 -0.11 0.00 -1.00 0.00 0.00 29.16 28.82 2k78 h TRP 77 CO -0.00 -0.14 0.28 -1.50 -3.56 0.00 0.00 178.44 173.52 2k78 s ILE 78 N -2.30 4.86 -0.16 1.49 1.10 -1.13 -3.14 121.20 121.92 2k78 s ILE 78 Ca -0.03 1.02 0.17 0.00 -0.51 0.00 0.00 60.65 61.30 2k78 s ILE 78 Cb 0.00 -4.08 -0.04 0.00 0.15 0.00 0.00 42.46 38.49 2k78 s ILE 78 CO 0.10 -0.20 1.06 0.00 -2.11 0.00 0.00 174.94 173.79 2k78 h THR 79 N 5.57 0.52 0.00 4.00 1.03 -1.58 -3.43 112.91 119.02 2k78 h THR 79 Ca -0.25 -1.89 0.00 0.00 -0.01 0.00 0.00 66.41 64.25 2k78 h THR 79 Cb 1.11 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 2k78 h THR 79 CO 0.84 0.30 0.00 0.61 -0.01 0.00 0.00 175.52 177.26 2k78 n GLY 80 N 1.31 -0.79 3.38 2.99 0.00 -1.12 -4.95 105.19 106.01 2k78 n GLY 80 Ca -0.04 -0.97 -0.10 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 -2.00 1.17 0.02 1.61 -1.94 -1.26 -2.56 119.30 114.34 2k78 s MET 81 Ca 0.00 -0.85 -0.21 0.00 -1.71 0.00 0.00 55.69 52.92 2k78 s MET 81 Cb 0.00 0.46 0.04 0.00 2.01 0.00 0.00 34.83 37.35 2k78 s MET 81 CO 0.00 -0.47 0.48 0.45 -0.01 0.00 0.00 175.02 175.47 2k78 s SER 82 N -2.86 -0.38 -0.06 3.03 0.15 0.34 -1.54 113.70 112.38 2k78 s SER 82 Ca 0.07 0.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.72 2k78 s SER 82 Cb 0.01 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2k78 s SER 82 CO -0.07 -0.65 0.40 -0.63 1.20 0.00 0.00 173.24 173.49 2k78 s ILE 83 N -2.14 0.03 -0.14 6.45 1.01 0.16 -0.52 121.20 126.05 2k78 s ILE 83 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2k78 s ILE 83 Cb -0.01 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2k78 s ILE 83 CO 0.00 -0.15 0.00 -0.62 0.00 0.00 0.00 174.94 174.18 2k78 n GLU 84 N 1.66 -1.86 0.00 2.79 -0.58 -1.22 -1.75 120.64 119.67 2k78 n GLU 84 Ca -0.19 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2k78 n GLU 84 Cb 0.56 -4.94 0.00 0.00 -0.57 0.00 0.00 31.44 26.50 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 0.70 0.80 3.08 0.62 0.00 -1.26 -5.10 105.19 104.03 2k78 n GLY 85 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.74 0.00 1.61 -3.43 -0.72 -5.15 115.29 106.34 2k78 s HIS 86 Ca 0.00 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2k78 s HIS 86 Cb 0.00 -0.44 0.00 0.00 -1.43 0.00 0.00 32.58 30.71 2k78 s HIS 86 CO 0.00 -0.07 0.00 1.63 -2.00 0.00 0.00 174.74 174.30 2k78 n LYS 87 N 1.40 0.16 -3.56 -0.38 4.76 -1.26 0.39 118.16 119.67 2k78 n LYS 87 Ca -0.22 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.01 2k78 n LYS 87 Cb 0.55 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.71 2k78 n LYS 87 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2k78 s GLU 88 N -1.27 2.53 -0.09 1.97 -1.05 -0.59 -4.49 118.70 115.71 2k78 s GLU 88 Ca 0.00 -1.55 0.00 0.00 -0.15 0.00 0.00 54.97 53.28 2k78 s GLU 88 Cb 0.00 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.29 2k78 s GLU 88 CO 0.00 -0.21 -0.08 -0.80 0.95 0.00 0.00 175.26 175.12 2k78 s ASN 89 N -4.14 4.47 -0.56 0.83 0.02 -1.22 -4.94 114.94 109.40 2k78 s ASN 89 Ca 0.48 -0.12 -0.27 0.00 -1.02 0.00 0.00 52.86 51.93 2k78 s ASN 89 Cb -0.03 -1.32 -0.03 0.00 0.02 0.00 0.00 41.25 39.89 2k78 s ASN 89 CO 0.28 0.29 1.95 0.27 0.02 0.00 0.00 177.10 179.91 2k78 s ILE 90 N -0.36 3.30 -0.14 0.60 -4.36 -1.26 -3.10 121.20 115.89 2k78 s ILE 90 Ca 0.05 0.19 0.16 0.00 -0.26 0.00 0.00 60.65 60.80 2k78 s ILE 90 Cb -0.12 -3.75 -0.24 0.00 1.25 0.00 0.00 42.46 39.59 2k78 s ILE 90 CO 0.02 -0.71 0.33 0.00 0.24 0.00 0.00 174.94 174.83 2k78 n ILE 91 N 7.37 1.37 -3.14 8.37 3.06 -0.89 -4.90 119.36 130.59 2k78 n ILE 91 Ca 0.23 -0.81 0.05 0.00 -2.50 0.00 0.00 62.75 59.72 2k78 n ILE 91 Cb 0.52 -0.63 -0.00 0.00 0.54 0.00 0.00 39.64 40.07 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 -5.64 -1.03 0.20 9.51 0.01 -1.20 -4.96 113.70 110.58 2k78 s SER 92 Ca -0.08 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 2k78 s SER 92 Cb 0.07 1.63 -0.05 0.00 0.21 0.00 0.00 66.02 67.89 2k78 s SER 92 CO 0.83 -0.19 0.41 -0.75 0.41 0.00 0.00 173.24 173.96 2k78 s LYS 93 N 2.84 3.57 -0.41 12.44 2.20 -1.26 -0.33 119.74 138.79 2k78 s LYS 93 Ca 0.19 -0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.67 2k78 s LYS 93 Cb -0.06 -2.81 0.22 0.00 -1.51 0.00 0.00 37.83 33.67 2k78 s LYS 93 CO -0.24 0.39 0.51 -1.71 -0.36 0.00 0.00 175.35 173.94 2k78 n ASN 94 N -0.45 -0.50 -0.02 1.43 4.05 0.43 -4.88 115.26 115.32 2k78 n ASN 94 Ca -0.03 -2.66 0.05 0.00 0.45 0.00 0.00 54.58 52.39 2k78 n ASN 94 Cb 0.53 -0.27 0.42 0.00 1.23 0.00 0.00 39.78 41.69 2k78 n ASN 94 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2k78 h THR 95 N 3.07 1.09 -0.25 -0.44 1.35 -1.95 0.32 112.91 116.10 2k78 h THR 95 Ca 0.11 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2k78 h THR 95 Cb 0.91 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2k78 h THR 95 CO 0.40 0.10 0.11 0.00 -0.25 0.00 0.00 175.52 175.89 2k78 h ALA 96 N 1.72 0.32 -0.55 6.62 0.00 -1.92 -2.64 119.26 122.81 2k78 h ALA 96 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k78 h ALA 96 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k78 h ALA 96 CO -0.04 -0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.73 2k78 n LYS 97 N -4.81 3.28 -3.72 0.00 5.02 -0.91 -4.94 118.16 112.08 2k78 n LYS 97 Ca -0.03 -2.39 -0.26 0.00 -2.02 0.00 0.00 58.31 53.61 2k78 n LYS 97 Cb 0.11 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.35 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 0.91 -3.18 -4.05 4.39 9.92 0.87 -4.87 116.55 120.54 2k78 n ASP 98 Ca 0.22 -0.95 -0.10 0.00 -0.53 0.00 0.00 54.79 53.43 2k78 n ASP 98 Cb 0.76 -3.59 -0.07 0.00 -0.64 0.00 0.00 41.12 37.58 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2k78 s GLU 99 N -6.01 1.28 -0.08 -1.24 2.02 0.34 -2.16 118.70 112.85 2k78 s GLU 99 Ca 0.24 -1.34 -0.32 0.00 0.02 0.00 0.00 54.97 53.57 2k78 s GLU 99 Cb -0.08 0.37 0.12 0.00 0.10 0.00 0.00 34.13 34.64 2k78 s GLU 99 CO 0.85 -0.47 1.14 0.50 0.02 0.00 0.00 175.26 177.30 2k78 s ARG 100 N -4.04 0.51 0.03 1.61 3.52 -1.09 0.16 118.95 119.65 2k78 s ARG 100 Ca 0.25 -0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2k78 s ARG 100 Cb 0.03 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.61 2k78 s ARG 100 CO 0.06 -0.23 -0.03 0.99 -0.81 0.00 0.00 175.30 175.29 2k78 s THR 101 N -2.64 0.16 -0.05 4.11 2.01 0.55 0.29 115.64 120.07 2k78 s THR 101 Ca 0.10 -1.27 -0.08 0.00 0.31 0.00 0.00 61.69 60.75 2k78 s THR 101 Cb 0.00 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.76 2k78 s THR 101 CO -0.05 -0.70 0.19 -0.94 -0.69 0.00 0.00 174.62 172.43 2k78 s SER 102 N -2.04 -0.13 0.14 3.53 1.04 -0.78 -2.09 113.70 113.37 2k78 s SER 102 Ca -0.07 0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 2k78 s SER 102 Cb -0.03 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 2k78 s SER 102 CO -0.05 -0.19 0.46 -0.70 0.98 0.00 0.00 173.24 173.74 2k78 s GLU 103 N -0.48 3.77 -0.04 4.02 2.12 -1.18 -0.25 118.70 126.67 2k78 s GLU 103 Ca -0.06 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.50 2k78 s GLU 103 Cb -0.04 -2.86 -0.00 0.00 0.26 0.00 0.00 34.13 31.49 2k78 s GLU 103 CO 0.01 0.46 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.99 2k78 s PHE 104 N -1.58 1.46 -0.17 5.30 0.08 0.19 -3.42 117.98 119.83 2k78 s PHE 104 Ca 0.39 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.98 2k78 s PHE 104 Cb -0.13 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2k78 s PHE 104 CO 0.21 -0.13 0.05 -2.00 -0.10 0.00 0.00 175.22 173.25 2k78 s GLU 105 N 0.05 3.87 0.09 0.44 -6.30 -1.26 -0.82 118.70 114.76 2k78 s GLU 105 Ca -0.03 -0.35 -0.11 0.00 -2.50 0.00 0.00 54.97 51.98 2k78 s GLU 105 Cb -0.10 -3.16 0.01 0.00 0.00 0.00 0.00 34.13 30.88 2k78 s GLU 105 CO 0.01 0.33 0.26 0.14 0.02 0.00 0.00 175.26 176.02 2k78 s VAL 106 N 0.21 0.11 0.24 3.70 -7.23 -1.23 -4.76 120.40 111.45 2k78 s VAL 106 Ca 0.04 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2k78 s VAL 106 Cb -0.12 -1.22 0.22 0.00 0.56 0.00 0.00 36.38 35.82 2k78 s VAL 106 CO 0.01 -0.52 1.71 -1.28 -0.31 0.00 0.00 175.10 174.71 2k78 h SER 107 N 2.73 0.15 -0.39 4.85 0.87 -1.99 -3.42 113.55 116.35 2k78 h SER 107 Ca -0.34 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2k78 h SER 107 Cb 1.21 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2k78 h SER 107 CO 0.52 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 177.14 2k78 n LYS 108 N -5.08 0.00 -2.99 2.24 4.76 -1.26 -4.88 118.16 110.96 2k78 n LYS 108 Ca 0.14 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.42 2k78 n LYS 108 Cb 0.44 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.61 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 -1.46 -2.88 -0.35 -0.00 -1.26 -4.99 117.00 106.06 2k78 n LEU 109 Ca 0.00 -3.95 -0.12 0.00 -0.00 0.00 0.00 56.01 51.94 2k78 n LEU 109 Cb 0.00 0.73 0.03 0.00 -0.00 0.00 0.00 43.42 44.18 2k78 n LEU 109 CO 0.00 2.02 0.00 -3.20 -0.00 0.00 0.00 177.39 176.21 2k78 n ASN 110 N 1.73 0.10 0.00 1.45 2.85 -1.18 -0.86 115.26 119.35 2k78 n ASN 110 Ca 0.16 -2.96 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 2k78 n ASN 110 Cb 0.57 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.66 2k78 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k78 n GLY 111 N 0.07 -0.96 3.49 8.20 0.00 0.43 -4.90 105.19 111.51 2k78 n GLY 111 Ca 0.13 0.52 -0.11 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 0.64 0.06 1.61 2.36 -1.26 -1.63 119.74 121.52 2k78 s LYS 112 Ca 0.00 0.93 0.06 0.00 -2.55 0.00 0.00 55.97 54.41 2k78 s LYS 112 Cb 0.00 0.21 -0.03 0.00 -1.05 0.00 0.00 37.83 36.96 2k78 s LYS 112 CO 0.00 -0.12 -0.16 0.42 1.55 0.00 0.00 175.35 177.05 2k78 s ILE 113 N 0.91 1.25 -0.18 5.43 1.01 0.46 -4.94 121.20 125.15 2k78 s ILE 113 Ca -0.05 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 2k78 s ILE 113 Cb -0.05 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2k78 s ILE 113 CO -0.08 -0.04 1.23 -1.81 0.00 0.00 0.00 174.94 174.25 2k78 s ASP 114 N -1.39 6.96 0.47 3.58 1.11 -1.26 -1.76 116.67 124.38 2k78 s ASP 114 Ca 0.02 1.64 0.02 0.00 0.18 0.00 0.00 52.55 54.42 2k78 s ASP 114 Cb -0.09 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 2k78 s ASP 114 CO 0.02 -0.75 0.06 -0.83 1.18 0.00 0.00 175.17 174.85 2k78 s GLY 115 N 1.88 2.88 0.07 0.21 0.00 -1.18 -3.42 107.32 107.76 2k78 s GLY 115 Ca 0.53 -0.70 -0.08 0.00 0.00 0.00 0.00 44.72 44.47 2k78 s GLY 115 CO 0.14 -2.03 0.18 0.54 0.00 0.00 0.00 173.10 171.92 2k78 s LYS 116 N -3.79 0.79 -0.10 2.90 1.02 0.32 -2.94 119.74 117.93 2k78 s LYS 116 Ca 0.13 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.98 2k78 s LYS 116 Cb 0.02 0.32 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 2k78 s LYS 116 CO 0.08 -0.24 0.61 -1.50 -0.92 0.00 0.00 175.35 173.38 2k78 s ILE 117 N -3.49 0.01 0.25 2.17 -1.16 -0.84 0.13 121.20 118.26 2k78 s ILE 117 Ca 0.02 -0.08 0.07 0.00 -0.51 0.00 0.00 60.65 60.16 2k78 s ILE 117 Cb 0.03 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 42.17 2k78 s ILE 117 CO -0.09 -0.04 0.16 -1.81 -2.81 0.00 0.00 174.94 170.35 2k78 s ASP 118 N -0.74 5.37 0.05 4.50 1.11 -1.06 -0.95 116.67 124.95 2k78 s ASP 118 Ca -0.08 -0.31 0.02 0.00 0.18 0.00 0.00 52.55 52.36 2k78 s ASP 118 Cb -0.02 -1.32 -0.03 0.00 1.07 0.00 0.00 42.92 42.62 2k78 s ASP 118 CO 0.06 -0.03 -0.07 0.68 1.18 0.00 0.00 175.17 176.99 2k78 s VAL 119 N -2.15 0.54 -0.27 -1.27 -7.23 -0.22 -2.12 120.40 107.67 2k78 s VAL 119 Ca 0.33 -1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2k78 s VAL 119 Cb -0.08 -0.76 0.15 0.00 0.56 0.00 0.00 36.38 36.25 2k78 s VAL 119 CO 0.24 -0.47 0.38 -0.47 -0.31 0.00 0.00 175.10 174.47 2k78 s TYR 120 N -1.75 -0.87 0.09 2.82 6.14 -1.19 -2.46 117.35 120.13 2k78 s TYR 120 Ca -0.07 0.46 0.04 0.00 0.64 0.00 0.00 57.07 58.14 2k78 s TYR 120 Cb -0.07 -0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.14 2k78 s TYR 120 CO -0.01 -0.87 -0.11 0.42 0.64 0.00 0.00 175.55 175.62 2k78 s ILE 121 N 2.52 0.98 -0.32 3.14 1.01 0.23 -4.44 121.20 124.33 2k78 s ILE 121 Ca 0.11 -1.49 0.06 0.00 0.00 0.00 0.00 60.65 59.33 2k78 s ILE 121 Cb -0.14 -1.21 0.19 0.00 0.01 0.00 0.00 42.46 41.31 2k78 s ILE 121 CO -0.25 -0.43 0.59 1.51 0.00 0.00 0.00 174.94 176.35 2k78 s ASP 122 N -2.15 -1.43 0.06 3.58 1.47 -1.26 -1.65 116.67 115.29 2k78 s ASP 122 Ca 0.02 -0.14 -0.25 0.00 1.18 0.00 0.00 52.55 53.36 2k78 s ASP 122 Cb -0.06 1.94 0.08 0.00 -0.34 0.00 0.00 42.92 44.54 2k78 s ASP 122 CO 0.01 -0.27 1.16 -1.84 0.68 0.00 0.00 175.17 174.91 2k78 n GLU 123 N 5.13 0.36 -3.53 2.11 0.28 -1.13 -5.01 120.64 118.85 2k78 n GLU 123 Ca 0.06 -1.04 -0.42 0.00 -0.16 0.00 0.00 57.16 55.61 2k78 n GLU 123 Cb 0.54 1.54 -0.10 0.00 1.43 0.00 0.00 31.44 34.86 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 -2.03 2.83 -0.70 3.44 1.02 -1.26 0.88 119.74 123.93 2k78 s LYS 124 Ca 0.27 -1.20 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 2k78 s LYS 124 Cb -0.02 -3.87 0.01 0.00 -0.52 0.00 0.00 37.83 33.44 2k78 s LYS 124 CO 0.02 -0.83 1.46 0.08 -0.92 0.00 0.00 175.35 175.16 2k78 s VAL 125 N 1.57 3.61 -1.15 3.17 1.01 0.87 -3.69 120.40 125.79 2k78 s VAL 125 Ca 0.03 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 2k78 s VAL 125 Cb -0.21 -4.61 0.01 0.00 0.00 0.00 0.00 36.38 31.56 2k78 s VAL 125 CO 0.06 -1.56 1.00 0.59 0.00 0.00 0.00 175.10 175.19 2k78 n ASN 126 N 10.43 -5.04 -0.32 3.32 5.03 -1.26 -2.88 115.26 124.55 2k78 n ASN 126 Ca 0.08 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 55.05 2k78 n ASN 126 Cb 0.50 -4.45 0.00 0.00 -1.02 0.00 0.00 39.78 34.80 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k78 n GLY 127 N -1.67 0.76 2.73 7.41 0.00 -1.24 -5.04 105.19 108.13 2k78 n GLY 127 Ca -0.05 -0.75 -0.19 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 -4.63 0.23 -0.27 1.61 -0.14 -1.14 -5.08 119.74 110.32 2k78 s LYS 128 Ca 0.00 0.03 -0.36 0.00 -1.36 0.00 0.00 55.97 54.27 2k78 s LYS 128 Cb 0.00 -1.06 -0.13 0.00 -1.68 0.00 0.00 37.83 34.96 2k78 s LYS 128 CO 0.00 -0.80 1.99 -2.30 -0.76 0.00 0.00 175.35 173.49 2k78 n PRO 129 N 5.31 1.37 -3.96 -1.68 -0.02 -1.26 -0.09 135.00 134.66 2k78 n PRO 129 Ca -0.05 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 2k78 n PRO 129 Cb 0.48 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k78 s PHE 130 N 5.52 3.01 -0.15 6.00 5.36 0.25 -4.88 117.98 133.09 2k78 s PHE 130 Ca 1.02 -1.41 -0.06 0.00 -0.96 0.00 0.00 56.93 55.52 2k78 s PHE 130 Cb -0.87 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2k78 s PHE 130 CO 0.54 -0.69 0.07 0.15 -1.46 0.00 0.00 175.22 173.83 2k78 s LYS 131 N 1.36 3.69 -0.17 10.12 1.02 -1.26 -2.86 119.74 131.64 2k78 s LYS 131 Ca 0.02 -0.31 -0.06 0.00 0.02 0.00 0.00 55.97 55.65 2k78 s LYS 131 Cb -0.16 -3.14 0.08 0.00 -0.52 0.00 0.00 37.83 34.10 2k78 s LYS 131 CO -0.05 0.46 0.35 -0.47 -0.92 0.00 0.00 175.35 174.72 2k78 s TYR 132 N -0.16 -0.63 -0.44 3.18 5.04 -0.66 -4.95 117.35 118.72 2k78 s TYR 132 Ca 0.08 1.24 0.02 0.00 -2.44 0.00 0.00 57.07 55.97 2k78 s TYR 132 Cb -0.12 0.14 0.22 0.00 0.35 0.00 0.00 41.96 42.55 2k78 s TYR 132 CO 0.01 -0.44 0.93 -0.40 -1.34 0.00 0.00 175.55 174.32 2k78 n ASP 133 N 5.37 -2.55 -0.52 4.32 5.68 -1.25 0.78 116.55 128.38 2k78 n ASP 133 Ca -0.07 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.76 2k78 n ASP 133 Cb 0.50 1.41 0.00 0.00 -1.14 0.00 0.00 41.12 41.88 2k78 n ASP 133 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2k78 n HIS 134 N 2.25 -0.37 -4.38 2.11 -0.00 -1.03 -4.97 115.22 108.83 2k78 n HIS 134 Ca 0.11 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.05 2k78 n HIS 134 Cb 0.62 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.38 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 -4.77 2.08 -0.21 1.57 -3.43 -1.26 -1.06 115.29 108.22 2k78 s HIS 135 Ca 0.00 -0.40 -0.15 0.00 -0.80 0.00 0.00 55.06 53.70 2k78 s HIS 135 Cb 0.00 -1.04 0.06 0.00 -1.43 0.00 0.00 32.58 30.17 2k78 s HIS 135 CO 0.00 0.42 0.53 0.71 -2.00 0.00 0.00 174.74 174.40 2k78 s TYR 136 N -1.78 -0.69 0.59 0.38 2.02 -0.12 -4.99 117.35 112.76 2k78 s TYR 136 Ca 0.18 1.54 -0.04 0.00 -0.37 0.00 0.00 57.07 58.37 2k78 s TYR 136 Cb -0.07 0.31 0.02 0.00 -0.40 0.00 0.00 41.96 41.82 2k78 s TYR 136 CO 0.08 -0.35 0.88 0.54 -1.57 0.00 0.00 175.55 175.13 2k78 s ASN 137 N 0.88 5.42 0.23 2.29 2.20 -1.26 -1.99 114.94 122.71 2k78 s ASN 137 Ca -0.05 0.52 -0.18 0.00 -0.94 0.00 0.00 52.86 52.21 2k78 s ASN 137 Cb -0.05 -1.46 0.02 0.00 -2.00 0.00 0.00 41.25 37.76 2k78 s ASN 137 CO -0.07 -1.14 0.58 0.27 -2.94 0.00 0.00 177.10 173.80 2k78 s ILE 138 N -2.96 0.01 -0.34 0.54 -4.36 -1.15 -4.54 121.20 108.39 2k78 s ILE 138 Ca 0.55 -0.94 -0.19 0.00 -0.26 0.00 0.00 60.65 59.80 2k78 s ILE 138 Cb -0.10 -1.81 -0.00 0.00 1.25 0.00 0.00 42.46 41.79 2k78 s ILE 138 CO 0.43 -0.05 0.59 -0.89 0.24 0.00 0.00 174.94 175.26 2k78 s THR 139 N -3.91 4.95 -0.75 8.37 2.01 -0.98 -3.08 115.64 122.24 2k78 s THR 139 Ca 0.12 0.56 -0.20 0.00 0.31 0.00 0.00 61.69 62.48 2k78 s THR 139 Cb -0.03 -4.02 0.11 0.00 0.01 0.00 0.00 72.50 68.58 2k78 s THR 139 CO 0.02 -0.24 0.96 -0.31 -0.69 0.00 0.00 174.62 174.37 2k78 s TYR 140 N 2.57 2.96 -0.62 4.92 1.51 -0.72 -2.21 117.35 125.76 2k78 s TYR 140 Ca 0.22 -1.02 -0.23 0.00 -1.01 0.00 0.00 57.07 55.03 2k78 s TYR 140 Cb -0.15 -4.21 0.06 0.00 -0.11 0.00 0.00 41.96 37.55 2k78 s TYR 140 CO 0.14 -1.48 0.95 0.15 -1.11 0.00 0.00 175.55 174.19 2k78 s LYS 141 N 3.07 3.17 -0.01 -0.62 1.02 -0.81 -0.40 119.74 125.16 2k78 s LYS 141 Ca 0.24 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 2k78 s LYS 141 Cb -0.14 -4.17 -0.06 0.00 -0.52 0.00 0.00 37.83 32.95 2k78 s LYS 141 CO 0.01 -1.70 0.41 -0.06 -0.92 0.00 0.00 175.35 173.09 2k78 s PHE 142 N 4.00 3.70 -0.31 3.18 0.08 -0.64 -1.98 117.98 126.00 2k78 s PHE 142 Ca 0.24 0.98 -0.01 0.00 0.12 0.00 0.00 56.93 58.26 2k78 s PHE 142 Cb -0.16 -2.31 0.10 0.00 -0.57 0.00 0.00 43.02 40.08 2k78 s PHE 142 CO 0.13 0.59 0.11 -0.80 -0.10 0.00 0.00 175.22 175.15 2k78 s ASN 143 N -0.89 3.98 0.00 1.36 0.01 0.68 0.16 114.94 120.25 2k78 s ASN 143 Ca 0.24 -1.67 0.00 0.00 -0.71 0.00 0.00 52.86 50.72 2k78 s ASN 143 Cb -0.16 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.66 2k78 s ASN 143 CO 0.13 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 2k78 n GLY 144 N 4.81 3.68 3.74 0.66 0.00 -0.04 -2.55 105.19 115.49 2k78 n GLY 144 Ca -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2k78 n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k78 s PRO 145 N 4.39 4.15 -0.20 1.61 0.04 -1.26 -4.72 135.00 139.01 2k78 s PRO 145 Ca 0.00 2.52 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 2k78 s PRO 145 Cb 0.00 -3.06 -0.15 0.00 0.04 0.00 0.00 34.50 31.33 2k78 s PRO 145 CO 0.00 -0.62 0.07 2.41 0.04 0.00 0.00 177.00 178.90 2k78 n THR 146 N 2.69 1.51 -1.87 1.26 -1.04 -1.26 -4.31 114.28 111.26 2k78 n THR 146 Ca 0.10 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 62.05 2k78 n THR 146 Cb 0.37 -2.10 -0.05 0.00 -1.82 0.00 0.00 70.33 66.74 2k78 n THR 146 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k78 n ASP 147 N -4.45 -0.70 -3.54 8.00 8.00 -1.26 -4.90 116.55 117.70 2k78 n ASP 147 Ca -0.29 -1.44 -0.25 0.00 0.71 0.00 0.00 54.79 53.51 2k78 n ASP 147 Cb 0.62 0.21 0.06 0.00 -0.02 0.00 0.00 41.12 41.99 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 0.00 -2.60 -1.34 2.53 0.31 -1.26 -4.84 118.33 111.13 2k78 n VAL 148 Ca -0.19 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.82 2k78 n VAL 148 Cb 0.57 -3.65 -0.06 0.00 -0.91 0.00 0.00 33.84 29.79 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 -4.66 7.09 0.00 3.52 0.00 -1.26 -5.27 120.51 119.93 2k78 n ALA 149 Ca -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.30 2k78 n ALA 149 Cb 0.56 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91