#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 -2.18 -1.28 -0.43 0.00 -1.26 -4.95 121.76 111.65 2k78 s ALA 26 Ca 0.00 2.02 -0.04 0.00 0.00 0.00 0.00 51.96 53.94 2k78 s ALA 26 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2k78 s ALA 26 CO 0.00 -0.28 0.59 -1.71 0.00 0.00 0.00 175.76 174.36 2k78 n ASN 27 N 2.93 -5.45 -3.94 0.00 5.15 -1.26 -4.96 115.26 107.72 2k78 n ASN 27 Ca -0.15 -0.28 -0.30 0.00 -0.60 0.00 0.00 54.58 53.25 2k78 n ASN 27 Cb 0.57 -4.25 -0.13 0.00 -0.53 0.00 0.00 39.78 35.43 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 -3.11 3.47 1.00 5.20 0.00 -1.26 -5.09 121.76 121.97 2k78 s ALA 28 Ca 0.29 -3.45 0.00 0.00 0.00 0.00 0.00 51.96 48.80 2k78 s ALA 28 Cb -0.13 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2k78 s ALA 28 CO 0.36 -2.05 0.00 0.00 0.00 0.00 0.00 175.76 174.08 2k78 n ALA 29 N 2.76 0.00 -2.22 0.00 0.00 -1.26 -4.19 120.51 115.59 2k78 n ALA 29 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2k78 n ALA 29 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.37 -4.17 -3.63 0.00 8.00 -1.26 -4.91 116.55 109.21 2k78 n ASP 30 Ca 0.00 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 2k78 n ASP 30 Cb 0.00 -3.59 -0.07 0.00 -0.02 0.00 0.00 41.12 37.44 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 -2.06 -0.71 0.05 -2.24 1.04 -1.26 -0.65 113.70 107.86 2k78 s SER 31 Ca 0.00 1.32 -0.28 0.00 0.48 0.00 0.00 55.95 57.47 2k78 s SER 31 Cb 0.00 1.32 0.10 0.00 0.10 0.00 0.00 66.02 67.54 2k78 s SER 31 CO 0.00 -0.28 1.18 -0.83 0.98 0.00 0.00 173.24 174.29 2k78 s GLY 32 N 0.20 -0.24 -0.44 7.32 0.00 -0.33 -4.98 107.32 108.85 2k78 s GLY 32 Ca -0.01 0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.77 2k78 s GLY 32 CO 0.02 1.41 0.77 -0.51 0.00 0.00 0.00 173.10 174.79 2k78 s THR 33 N -2.50 4.68 0.24 0.90 -4.23 -1.26 0.13 115.64 113.60 2k78 s THR 33 Ca 0.18 0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2k78 s THR 33 Cb 0.01 -4.30 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 2k78 s THR 33 CO -0.01 -0.67 0.44 -0.22 -0.54 0.00 0.00 174.62 173.63 2k78 s LEU 34 N 3.23 4.17 0.11 4.79 2.96 0.76 -4.90 118.68 129.79 2k78 s LEU 34 Ca 0.29 0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 54.39 2k78 s LEU 34 Cb -0.12 -3.26 -0.06 0.00 0.50 0.00 0.00 46.19 43.25 2k78 s LEU 34 CO 0.22 -0.11 0.88 0.21 -1.32 0.00 0.00 176.35 176.23 2k78 s ASN 35 N -3.29 7.42 -0.01 3.68 3.04 -1.11 -2.43 114.94 122.24 2k78 s ASN 35 Ca 0.40 1.69 -0.29 0.00 0.04 0.00 0.00 52.86 54.70 2k78 s ASN 35 Cb -0.11 -2.55 0.10 0.00 -1.54 0.00 0.00 41.25 37.16 2k78 s ASN 35 CO 0.30 0.01 0.89 -0.72 -3.04 0.00 0.00 177.10 174.54 2k78 s TYR 36 N -0.25 -0.35 0.00 0.43 1.13 -1.26 -0.26 117.35 116.78 2k78 s TYR 36 Ca 0.43 0.24 0.00 0.00 -1.41 0.00 0.00 57.07 56.32 2k78 s TYR 36 Cb -0.23 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 2k78 s TYR 36 CO 0.28 -0.54 0.00 -1.91 -2.51 0.00 0.00 175.55 170.86 2k78 n GLU 37 N -0.20 0.00 -4.22 -3.49 2.13 -0.91 -4.80 120.64 109.16 2k78 n GLU 37 Ca -0.09 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.58 2k78 n GLU 37 Cb 0.62 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.24 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 -2.62 0.00 0.07 6.31 -7.23 -1.26 -1.67 120.40 114.00 2k78 s VAL 38 Ca 0.00 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2k78 s VAL 38 Cb 0.00 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.45 2k78 s VAL 38 CO 0.00 0.00 0.25 -0.31 -0.31 0.00 0.00 175.10 174.73 2k78 s TYR 39 N -3.78 0.01 0.25 2.82 2.02 -0.26 -3.87 117.35 114.54 2k78 s TYR 39 Ca 0.38 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.49 2k78 s TYR 39 Cb 0.04 0.03 -0.10 0.00 -0.40 0.00 0.00 41.96 41.54 2k78 s TYR 39 CO 0.19 -0.52 1.34 0.21 -1.57 0.00 0.00 175.55 175.20 2k78 s LYS 40 N -3.17 4.35 0.54 -0.62 2.47 -0.23 -1.19 119.74 121.90 2k78 s LYS 40 Ca -0.01 2.17 -0.22 0.00 -1.56 0.00 0.00 55.97 56.35 2k78 s LYS 40 Cb 0.01 -3.13 -0.05 0.00 -1.46 0.00 0.00 37.83 33.20 2k78 s LYS 40 CO -0.07 -0.27 1.34 -0.47 0.16 0.00 0.00 175.35 176.04 2k78 s TYR 41 N -0.33 2.33 0.00 4.03 5.04 -1.26 -1.59 117.35 125.56 2k78 s TYR 41 Ca 0.55 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 2k78 s TYR 41 Cb -0.39 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.16 2k78 s TYR 41 CO 0.44 -2.78 0.00 -1.71 -1.34 0.00 0.00 175.55 170.16 2k78 n ASN 42 N -1.02 -1.19 -0.78 4.32 5.15 -1.26 -4.94 115.26 115.55 2k78 n ASN 42 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2k78 n ASN 42 Cb 0.45 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.51 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 -2.17 0.00 -1.15 -0.44 -2.24 -0.62 -5.07 114.28 102.58 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 0.06 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.32 2k78 n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k78 n ASN 44 N -1.77 1.00 -3.94 3.42 5.15 -1.26 -4.71 115.26 113.16 2k78 n ASN 44 Ca 0.00 -2.06 -0.15 0.00 -0.60 0.00 0.00 54.58 51.76 2k78 n ASN 44 Cb 0.00 -0.18 -0.15 0.00 -0.53 0.00 0.00 39.78 38.93 2k78 n ASN 44 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2k78 s ASP 45 N -1.27 0.53 0.20 1.20 1.11 -1.26 -4.88 116.67 112.29 2k78 s ASP 45 Ca 0.09 -0.08 -0.30 0.00 0.18 0.00 0.00 52.55 52.44 2k78 s ASP 45 Cb 0.07 -0.08 -0.09 0.00 1.07 0.00 0.00 42.92 43.90 2k78 s ASP 45 CO 0.01 0.04 1.28 -0.89 1.18 0.00 0.00 175.17 176.79 2k78 s THR 46 N -0.01 3.30 0.00 -1.27 2.01 -1.25 -1.06 115.64 117.36 2k78 s THR 46 Ca 0.01 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2k78 s THR 46 Cb -0.03 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2k78 s THR 46 CO -0.00 0.17 0.00 -0.24 -0.69 0.00 0.00 174.62 173.86 2k78 n SER 47 N 2.53 2.22 0.00 3.53 2.88 -1.26 -4.81 113.62 118.70 2k78 n SER 47 Ca 0.05 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2k78 n SER 47 Cb 0.43 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 1.79 2.46 -0.00 -1.26 -4.83 119.36 116.76 2k78 n ILE 48 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.78 2k78 n ILE 48 Cb 0.00 -0.59 0.16 0.00 -0.00 0.00 0.00 39.64 39.21 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k78 n ALA 49 N -2.54 2.52 0.06 -1.39 0.00 -1.26 -3.82 120.51 114.07 2k78 n ALA 49 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 2k78 n ALA 49 Cb 0.05 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 18.53 2k78 n ALA 49 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k78 h ASN 50 N 0.43 0.39 -0.57 0.00 -1.07 -1.89 -3.11 115.58 109.76 2k78 h ASN 50 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 56.30 56.15 2k78 h ASN 50 Cb 0.10 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 2k78 h ASN 50 CO 0.00 0.89 0.00 0.47 0.07 0.00 0.00 177.43 178.86 2k78 n ASP 51 N -3.90 4.59 0.07 6.14 9.92 -1.25 -4.34 116.55 127.79 2k78 n ASP 51 Ca -0.03 -2.52 0.12 0.00 -0.53 0.00 0.00 54.79 51.83 2k78 n ASP 51 Cb 0.62 -0.55 0.03 0.00 -0.64 0.00 0.00 41.12 40.57 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 0.70 -4.88 1.24 9.36 -1.17 -4.84 117.16 118.40 2k78 n TYR 52 Ca 0.24 0.20 -0.33 0.00 3.32 0.00 0.00 57.90 61.34 2k78 n TYR 52 Cb 0.88 -0.77 -0.16 0.00 -0.63 0.00 0.00 39.34 38.65 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 -3.31 2.67 -0.40 2.98 -0.71 -1.26 -2.96 117.98 114.99 2k78 s PHE 53 Ca 0.01 -1.05 -0.29 0.00 -1.04 0.00 0.00 56.93 54.56 2k78 s PHE 53 Cb 0.11 -1.79 0.00 0.00 -1.21 0.00 0.00 43.02 40.14 2k78 s PHE 53 CO 0.79 -0.44 1.48 1.21 -1.34 0.00 0.00 175.22 176.92 2k78 s ASN 54 N 0.55 6.25 0.42 1.98 2.47 -1.25 -5.00 114.94 120.36 2k78 s ASN 54 Ca -0.12 0.89 -0.01 0.00 0.42 0.00 0.00 52.86 54.04 2k78 s ASN 54 Cb -0.17 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.07 2k78 s ASN 54 CO 0.04 -1.49 0.66 -1.59 -3.72 0.00 0.00 177.10 170.99 2k78 s LYS 55 N 5.09 3.34 0.56 0.43 -2.85 -1.26 -4.48 119.74 120.57 2k78 s LYS 55 Ca 0.64 -0.24 -0.10 0.00 -1.00 0.00 0.00 55.97 55.27 2k78 s LYS 55 Cb -0.15 -2.54 0.13 0.00 -2.06 0.00 0.00 37.83 33.21 2k78 s LYS 55 CO 0.33 -0.11 0.75 -0.35 0.10 0.00 0.00 175.35 176.07 2k78 n PRO 56 N -2.03 -0.81 -3.32 1.78 -0.04 -1.26 -5.15 135.00 124.17 2k78 n PRO 56 Ca -0.01 -1.16 -0.19 0.00 -0.04 0.00 0.00 63.50 62.10 2k78 n PRO 56 Cb 0.56 -0.79 -0.01 0.00 -0.04 0.00 0.00 33.50 33.23 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 -3.94 4.29 -0.30 0.55 0.00 -1.02 -4.92 121.76 116.43 2k78 s ALA 57 Ca 0.43 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 2k78 s ALA 57 Cb -0.01 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2k78 s ALA 57 CO 0.30 -0.17 0.12 0.21 0.00 0.00 0.00 175.76 176.23 2k78 s LYS 58 N -4.22 3.32 0.33 0.00 2.36 -1.17 -0.17 119.74 120.18 2k78 s LYS 58 Ca 0.49 -0.72 0.02 0.00 -2.55 0.00 0.00 55.97 53.22 2k78 s LYS 58 Cb -0.08 -3.49 -0.03 0.00 -1.05 0.00 0.00 37.83 33.18 2k78 s LYS 58 CO 0.31 -0.39 0.50 1.52 1.55 0.00 0.00 175.35 178.84 2k78 s TYR 59 N 1.59 3.42 -0.22 4.03 1.13 0.12 -0.38 117.35 127.03 2k78 s TYR 59 Ca 0.04 0.18 -0.10 0.00 -1.41 0.00 0.00 57.07 55.79 2k78 s TYR 59 Cb -0.17 -1.86 0.09 0.00 -1.10 0.00 0.00 41.96 38.92 2k78 s TYR 59 CO 0.05 0.14 0.50 -1.50 -2.51 0.00 0.00 175.55 172.24 2k78 s ILE 60 N -2.24 -0.42 -0.03 -3.49 2.07 -0.91 -1.18 121.20 114.99 2k78 s ILE 60 Ca 0.40 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 2k78 s ILE 60 Cb -0.09 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.75 2k78 s ILE 60 CO 0.34 0.04 0.00 -0.54 -1.91 0.00 0.00 174.94 172.87 2k78 s LYS 61 N 2.15 0.32 -0.86 3.50 1.02 0.17 0.53 119.74 126.57 2k78 s LYS 61 Ca -0.06 0.07 0.01 0.00 0.02 0.00 0.00 55.97 56.01 2k78 s LYS 61 Cb -0.10 -0.51 0.31 0.00 -0.52 0.00 0.00 37.83 37.01 2k78 s LYS 61 CO -0.15 -0.14 1.36 1.63 -0.92 0.00 0.00 175.35 177.13 2k78 n LYS 62 N 4.19 4.22 -2.98 1.68 5.02 -0.87 -4.32 118.16 125.11 2k78 n LYS 62 Ca -0.25 -4.70 -0.01 0.00 -2.02 0.00 0.00 58.31 51.32 2k78 n LYS 62 Cb 0.50 -2.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.12 2k78 n LYS 62 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k78 n ASN 63 N 0.31 -6.00 0.00 4.39 5.15 -1.26 -4.32 115.26 113.53 2k78 n ASN 63 Ca 0.36 0.95 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 2k78 n ASN 63 Cb 0.33 -2.69 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k78 n GLY 64 N 1.86 1.00 3.56 8.20 0.00 -1.26 -5.06 105.19 113.49 2k78 n GLY 64 Ca -0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.73 0.53 -0.22 1.61 -2.85 -1.26 -5.18 119.74 111.64 2k78 s LYS 65 Ca 0.00 -0.10 -0.27 0.00 -1.00 0.00 0.00 55.97 54.60 2k78 s LYS 65 Cb 0.00 0.25 0.10 0.00 -2.06 0.00 0.00 37.83 36.12 2k78 s LYS 65 CO 0.00 -0.21 0.90 -0.48 0.10 0.00 0.00 175.35 175.66 2k78 s LEU 66 N -1.93 -0.54 0.00 2.77 -0.00 -1.26 -2.05 118.68 115.68 2k78 s LEU 66 Ca 0.05 0.90 0.00 0.00 -0.00 0.00 0.00 54.13 55.09 2k78 s LEU 66 Cb -0.01 2.12 0.00 0.00 -0.00 0.00 0.00 46.19 48.30 2k78 s LEU 66 CO -0.05 -0.28 0.00 -1.22 -0.00 0.00 0.00 176.35 174.81 2k78 n TYR 67 N 1.87 -0.00 -3.64 3.48 4.02 0.19 -3.98 117.16 119.09 2k78 n TYR 67 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.73 2k78 n TYR 67 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.82 2k78 n TYR 67 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2k78 s VAL 68 N -1.08 0.00 -0.06 -0.72 1.01 -0.92 -2.15 120.40 116.48 2k78 s VAL 68 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2k78 s VAL 68 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2k78 s VAL 68 CO 0.00 0.00 0.21 0.00 0.00 0.00 0.00 175.10 175.31 2k78 s GLN 69 N 1.20 3.54 -0.03 2.72 1.03 0.49 -0.95 119.66 127.65 2k78 s GLN 69 Ca -0.08 -0.07 0.05 0.00 0.04 0.00 0.00 55.36 55.30 2k78 s GLN 69 Cb -0.04 -3.15 -0.03 0.00 0.03 0.00 0.00 33.01 29.82 2k78 s GLN 69 CO -0.14 0.72 -0.15 -1.50 -2.54 0.00 0.00 175.29 171.68 2k78 s ILE 70 N -1.14 2.98 -0.02 3.63 1.10 -0.11 -3.02 121.20 124.63 2k78 s ILE 70 Ca 0.21 -0.84 -0.20 0.00 -0.51 0.00 0.00 60.65 59.31 2k78 s ILE 70 Cb -0.13 -2.19 -0.05 0.00 0.15 0.00 0.00 42.46 40.24 2k78 s ILE 70 CO 0.10 0.53 0.58 -0.89 -2.11 0.00 0.00 174.94 173.15 2k78 s THR 71 N -0.78 4.95 -0.22 4.00 2.01 -1.26 -1.82 115.64 122.51 2k78 s THR 71 Ca 0.12 1.21 -0.08 0.00 0.31 0.00 0.00 61.69 63.26 2k78 s THR 71 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2k78 s THR 71 CO 0.02 0.41 0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 2k78 s VAL 72 N -0.09 4.64 -0.20 3.82 1.01 0.37 -3.91 120.40 126.03 2k78 s VAL 72 Ca 0.31 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2k78 s VAL 72 Cb -0.18 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2k78 s VAL 72 CO 0.16 0.39 0.19 0.21 0.00 0.00 0.00 175.10 176.05 2k78 s ASN 73 N 1.02 6.26 0.08 3.32 3.84 -1.16 -1.95 114.94 126.35 2k78 s ASN 73 Ca 0.04 0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.40 2k78 s ASN 73 Cb -0.14 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.44 2k78 s ASN 73 CO 0.03 0.13 0.00 1.41 -2.79 0.00 0.00 177.10 175.88 2k78 n HIS 74 N 3.71 -4.34 0.64 0.43 8.25 -1.13 -4.53 115.22 118.25 2k78 n HIS 74 Ca -0.14 2.59 0.12 0.00 -0.26 0.00 0.00 57.72 60.03 2k78 n HIS 74 Cb 0.52 -3.60 0.46 0.00 1.12 0.00 0.00 29.99 28.49 2k78 n HIS 74 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k78 n SER 75 N 1.65 0.52 -0.07 0.41 2.88 -1.26 -3.70 113.62 114.04 2k78 n SER 75 Ca 0.00 0.57 -0.08 0.00 -1.33 0.00 0.00 58.87 58.03 2k78 n SER 75 Cb 0.00 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 62.71 2k78 n SER 75 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2k78 h HIS 76 N 0.00 0.00 -0.04 0.66 3.86 -1.87 -3.40 115.15 114.36 2k78 h HIS 76 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2k78 h HIS 76 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2k78 h HIS 76 CO 0.00 0.47 -0.11 -1.49 0.86 0.00 0.00 177.93 177.66 2k78 h TRP 77 N -1.00 -0.32 -3.41 2.45 4.06 -1.75 -3.33 115.95 112.65 2k78 h TRP 77 Ca -0.06 0.01 -0.60 0.00 2.06 0.00 0.00 58.89 60.31 2k78 h TRP 77 Cb 0.56 0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 28.77 2k78 h TRP 77 CO 0.03 -0.10 0.20 -1.50 -3.56 0.00 0.00 178.44 173.51 2k78 s ILE 78 N -3.52 4.97 -0.07 1.49 1.10 -1.24 -3.15 121.20 120.78 2k78 s ILE 78 Ca -0.03 1.27 0.14 0.00 -0.51 0.00 0.00 60.65 61.52 2k78 s ILE 78 Cb 0.01 -3.98 -0.14 0.00 0.15 0.00 0.00 42.46 38.50 2k78 s ILE 78 CO 0.12 0.06 0.94 0.00 -2.11 0.00 0.00 174.94 173.94 2k78 h THR 79 N 5.27 0.82 -2.22 4.00 1.03 -1.54 -3.44 112.91 116.84 2k78 h THR 79 Ca -0.29 -2.42 0.30 0.00 -0.01 0.00 0.00 66.41 63.99 2k78 h THR 79 Cb 1.13 2.31 -0.06 0.00 -1.07 0.00 0.00 68.15 70.46 2k78 h THR 79 CO 0.79 0.47 0.83 0.61 -0.01 0.00 0.00 175.52 178.20 2k78 n GLY 80 N 1.41 0.30 3.62 2.99 0.00 -1.13 -4.94 105.19 107.43 2k78 n GLY 80 Ca -0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 2k78 n GLY 80 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2k78 s MET 81 N -2.02 1.56 0.14 1.61 0.23 -1.26 -2.72 119.30 116.85 2k78 s MET 81 Ca 0.28 -1.20 -0.16 0.00 -1.03 0.00 0.00 55.69 53.58 2k78 s MET 81 Cb -0.01 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.81 2k78 s MET 81 CO 0.01 -0.66 0.43 -1.12 -2.03 0.00 0.00 175.02 171.64 2k78 s SER 82 N -3.00 -0.23 -0.25 -1.18 0.01 0.44 -1.34 113.70 108.14 2k78 s SER 82 Ca 0.20 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.82 2k78 s SER 82 Cb -0.01 0.50 0.10 0.00 0.21 0.00 0.00 66.02 66.81 2k78 s SER 82 CO 0.08 -0.90 0.89 -0.63 0.41 0.00 0.00 173.24 173.08 2k78 s ILE 83 N -3.83 0.00 0.00 1.44 1.01 0.21 -1.35 121.20 118.68 2k78 s ILE 83 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2k78 s ILE 83 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2k78 s ILE 83 CO -0.09 0.00 0.00 -0.62 0.00 0.00 0.00 174.94 174.23 2k78 n GLU 84 N 2.20 -1.49 0.00 2.79 -0.58 -0.95 -2.02 120.64 120.58 2k78 n GLU 84 Ca -0.13 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2k78 n GLU 84 Cb 0.56 -4.65 0.00 0.00 -0.57 0.00 0.00 31.44 26.78 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 0.11 0.88 3.14 0.62 0.00 -1.26 -5.10 105.19 103.57 2k78 n GLY 85 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.85 0.00 1.61 -3.43 -0.86 -5.16 115.29 106.30 2k78 s HIS 86 Ca 0.00 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.52 2k78 s HIS 86 Cb 0.00 -0.49 0.00 0.00 -1.43 0.00 0.00 32.58 30.66 2k78 s HIS 86 CO 0.00 -0.10 0.00 1.63 -2.00 0.00 0.00 174.74 174.27 2k78 n LYS 87 N 0.55 0.91 -3.99 -0.38 5.02 -1.26 0.65 118.16 119.65 2k78 n LYS 87 Ca -0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.83 2k78 n LYS 87 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 2k78 n LYS 87 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k78 s GLU 88 N -0.15 3.17 -0.23 1.97 -1.05 -0.45 -4.40 118.70 117.56 2k78 s GLU 88 Ca 0.00 -0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 54.13 2k78 s GLU 88 Cb 0.00 -2.88 -0.05 0.00 -0.44 0.00 0.00 34.13 30.76 2k78 s GLU 88 CO 0.00 0.57 0.16 1.21 0.95 0.00 0.00 175.26 178.16 2k78 s ASN 89 N -2.57 6.13 -0.50 0.83 2.47 -1.25 -4.95 114.94 115.10 2k78 s ASN 89 Ca 0.32 0.13 -0.27 0.00 0.42 0.00 0.00 52.86 53.46 2k78 s ASN 89 Cb -0.12 -2.11 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 2k78 s ASN 89 CO 0.25 0.07 1.95 0.27 -3.72 0.00 0.00 177.10 175.93 2k78 s ILE 90 N 0.99 3.31 -0.13 -5.21 -5.25 -1.26 -3.17 121.20 110.48 2k78 s ILE 90 Ca 0.08 0.24 0.16 0.00 -0.99 0.00 0.00 60.65 60.14 2k78 s ILE 90 Cb -0.13 -3.66 -0.24 0.00 2.95 0.00 0.00 42.46 41.38 2k78 s ILE 90 CO 0.04 -0.58 0.38 0.00 -1.79 0.00 0.00 174.94 172.99 2k78 n ILE 91 N 7.43 1.36 -3.15 8.37 3.06 -1.04 -4.91 119.36 130.48 2k78 n ILE 91 Ca 0.24 -0.80 0.05 0.00 -2.50 0.00 0.00 62.75 59.74 2k78 n ILE 91 Cb 0.51 -0.66 -0.01 0.00 0.54 0.00 0.00 39.64 40.03 2k78 n ILE 91 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2k78 s SER 92 N -5.66 -0.98 -0.48 9.51 1.04 -1.25 -5.00 113.70 110.87 2k78 s SER 92 Ca -0.07 0.35 -0.18 0.00 0.48 0.00 0.00 55.95 56.52 2k78 s SER 92 Cb 0.07 1.72 0.05 0.00 0.10 0.00 0.00 66.02 67.96 2k78 s SER 92 CO 0.83 -0.18 0.57 -0.75 0.98 0.00 0.00 173.24 174.69 2k78 s LYS 93 N 2.90 3.11 -0.72 4.02 2.20 -1.26 -2.68 119.74 127.31 2k78 s LYS 93 Ca 0.14 -0.90 -0.17 0.00 -0.36 0.00 0.00 55.97 54.69 2k78 s LYS 93 Cb -0.09 -4.07 0.15 0.00 -1.51 0.00 0.00 37.83 32.31 2k78 s LYS 93 CO -0.20 -1.12 0.76 1.21 -0.36 0.00 0.00 175.35 175.64 2k78 s ASN 94 N 2.49 6.45 0.37 1.43 3.04 -0.49 -4.86 114.94 123.37 2k78 s ASN 94 Ca 0.14 -2.02 0.26 0.00 0.04 0.00 0.00 52.86 51.27 2k78 s ASN 94 Cb -0.19 -2.27 0.73 0.00 -1.54 0.00 0.00 41.25 37.97 2k78 s ASN 94 CO 0.12 -0.88 1.73 0.71 -3.04 0.00 0.00 177.10 175.74 2k78 h THR 95 N 5.52 0.00 0.32 -5.21 1.35 -1.95 0.14 112.91 113.08 2k78 h THR 95 Ca -0.09 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 2k78 h THR 95 Cb 1.06 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2k78 h THR 95 CO 0.97 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 176.09 2k78 h ALA 96 N 2.19 -0.43 -0.60 6.62 0.00 -1.93 -3.00 119.26 122.11 2k78 h ALA 96 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k78 h ALA 96 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k78 h ALA 96 CO 0.00 -0.68 0.00 1.63 0.00 0.00 0.00 179.25 180.20 2k78 n LYS 97 N -5.22 3.57 -3.32 0.00 5.02 -1.24 -4.96 118.16 112.01 2k78 n LYS 97 Ca -0.10 -2.64 -0.13 0.00 -2.02 0.00 0.00 58.31 53.41 2k78 n LYS 97 Cb 0.23 -1.87 0.03 0.00 -0.02 0.00 0.00 35.03 33.40 2k78 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k78 n ASP 98 N 1.01 -6.67 -3.99 4.39 -0.08 -1.00 -4.90 116.55 105.31 2k78 n ASP 98 Ca 0.24 -0.55 -0.11 0.00 -1.51 0.00 0.00 54.79 52.86 2k78 n ASP 98 Cb 0.84 -4.53 -0.07 0.00 2.34 0.00 0.00 41.12 39.70 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 -4.22 1.46 0.17 -0.67 0.41 0.46 -2.85 118.70 113.46 2k78 s GLU 99 Ca 0.24 -1.45 -0.24 0.00 -0.41 0.00 0.00 54.97 53.11 2k78 s GLU 99 Cb -0.05 0.39 0.06 0.00 -1.78 0.00 0.00 34.13 32.75 2k78 s GLU 99 CO 0.78 -0.57 0.74 1.03 -0.49 0.00 0.00 175.26 176.76 2k78 s ARG 100 N -3.96 1.35 0.03 1.61 0.52 -0.82 -1.39 118.95 116.27 2k78 s ARG 100 Ca 0.30 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2k78 s ARG 100 Cb 0.02 0.53 -0.02 0.00 0.52 0.00 0.00 34.95 36.00 2k78 s ARG 100 CO 0.12 -0.61 -0.01 0.99 0.02 0.00 0.00 175.30 175.81 2k78 s THR 101 N -3.63 0.13 -0.05 0.02 2.01 -1.09 0.14 115.64 113.17 2k78 s THR 101 Ca 0.06 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 2k78 s THR 101 Cb -0.03 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.96 2k78 s THR 101 CO -0.04 -0.59 0.13 -0.94 -0.69 0.00 0.00 174.62 172.50 2k78 s SER 102 N -1.76 -0.13 0.00 3.53 1.04 -0.76 -2.49 113.70 113.13 2k78 s SER 102 Ca -0.11 0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.41 2k78 s SER 102 Cb -0.06 0.25 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 2k78 s SER 102 CO -0.03 -0.06 0.47 -0.70 0.98 0.00 0.00 173.24 173.91 2k78 s GLU 103 N 0.20 4.09 -0.07 4.02 2.12 -1.19 -0.93 118.70 126.93 2k78 s GLU 103 Ca -0.01 0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.87 2k78 s GLU 103 Cb -0.02 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.12 2k78 s GLU 103 CO -0.01 0.58 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.11 2k78 s PHE 104 N -0.78 1.48 -0.14 5.30 0.08 -0.13 -3.82 117.98 119.97 2k78 s PHE 104 Ca 0.26 -0.55 -0.20 0.00 0.12 0.00 0.00 56.93 56.56 2k78 s PHE 104 Cb -0.17 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 2k78 s PHE 104 CO 0.15 -0.29 0.56 -2.00 -0.10 0.00 0.00 175.22 173.54 2k78 s GLU 105 N 0.69 4.30 0.22 0.44 2.12 -1.26 -2.17 118.70 123.04 2k78 s GLU 105 Ca -0.14 0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.64 2k78 s GLU 105 Cb -0.16 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 2k78 s GLU 105 CO 0.03 -0.00 0.38 0.54 -0.54 0.00 0.00 175.26 175.68 2k78 s VAL 106 N 1.12 0.02 -0.44 3.70 0.11 -1.26 -4.77 120.40 118.87 2k78 s VAL 106 Ca 0.28 -1.45 -0.29 0.00 -2.93 0.00 0.00 61.98 57.59 2k78 s VAL 106 Cb -0.16 -2.12 0.02 0.00 -1.53 0.00 0.00 36.38 32.59 2k78 s VAL 106 CO 0.12 -0.08 1.23 -0.55 -3.33 0.00 0.00 175.10 172.49 2k78 s SER 107 N -3.02 6.55 0.37 3.54 0.15 -1.26 -4.76 113.70 115.27 2k78 s SER 107 Ca 0.23 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2k78 s SER 107 Cb 0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2k78 s SER 107 CO 0.07 -1.29 0.00 0.29 1.20 0.00 0.00 173.24 173.50 2k78 n LYS 108 N 7.86 0.00 -2.93 5.44 4.76 -1.26 -4.59 118.16 127.44 2k78 n LYS 108 Ca 0.14 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 2k78 n LYS 108 Cb 0.48 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.71 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 -0.96 -2.93 -0.35 -0.00 -1.26 -4.94 117.00 106.55 2k78 n LEU 109 Ca 0.00 -4.27 -0.13 0.00 -0.00 0.00 0.00 56.01 51.61 2k78 n LEU 109 Cb 0.00 0.84 0.02 0.00 -0.00 0.00 0.00 43.42 44.28 2k78 n LEU 109 CO 0.00 2.17 -0.01 -3.20 -0.00 0.00 0.00 177.39 176.34 2k78 n ASN 110 N 0.32 0.01 0.00 1.45 2.85 -1.06 -0.57 115.26 118.26 2k78 n ASN 110 Ca 0.14 -3.05 0.00 0.00 -0.11 0.00 0.00 54.58 51.57 2k78 n ASN 110 Cb 0.68 0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.81 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 0.14 -0.93 3.82 8.20 0.00 0.48 -4.93 105.19 111.98 2k78 n GLY 111 Ca 0.15 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 4.27 0.03 1.61 2.36 -1.26 -1.54 119.74 123.20 2k78 s LYS 112 Ca 0.00 1.06 0.01 0.00 -2.55 0.00 0.00 55.97 54.49 2k78 s LYS 112 Cb 0.00 -2.42 -0.02 0.00 -1.05 0.00 0.00 37.83 34.34 2k78 s LYS 112 CO 0.00 0.11 -0.06 0.42 1.55 0.00 0.00 175.35 177.37 2k78 s ILE 113 N -1.97 0.34 -0.08 5.43 -1.09 -0.50 -4.94 121.20 118.40 2k78 s ILE 113 Ca 0.56 -1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 57.68 2k78 s ILE 113 Cb -0.12 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.28 2k78 s ILE 113 CO 0.17 -0.44 1.18 -1.81 -1.23 0.00 0.00 174.94 172.81 2k78 s ASP 114 N -1.54 7.06 -0.13 3.58 1.01 -1.26 -1.09 116.67 124.31 2k78 s ASP 114 Ca -0.13 1.76 -0.01 0.00 0.71 0.00 0.00 52.55 54.88 2k78 s ASP 114 Cb -0.10 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.31 2k78 s ASP 114 CO -0.00 -0.59 -0.03 -0.83 0.21 0.00 0.00 175.17 173.93 2k78 s GLY 115 N 1.47 0.75 0.31 0.21 0.00 -1.10 -2.25 107.32 106.72 2k78 s GLY 115 Ca 0.55 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.73 2k78 s GLY 115 CO 0.20 1.05 0.50 0.54 0.00 0.00 0.00 173.10 175.39 2k78 s LYS 116 N 1.78 3.49 -0.24 2.90 1.02 -0.45 -0.52 119.74 127.73 2k78 s LYS 116 Ca 0.03 -0.39 -0.23 0.00 0.02 0.00 0.00 55.97 55.40 2k78 s LYS 116 Cb -0.14 -2.72 0.06 0.00 -0.52 0.00 0.00 37.83 34.52 2k78 s LYS 116 CO -0.07 0.22 0.65 -1.50 -0.92 0.00 0.00 175.35 173.74 2k78 s ILE 117 N -2.21 0.00 0.27 2.17 -1.16 0.12 0.17 121.20 120.57 2k78 s ILE 117 Ca 0.39 -0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.60 2k78 s ILE 117 Cb -0.10 -0.91 -0.04 0.00 0.61 0.00 0.00 42.46 42.02 2k78 s ILE 117 CO 0.34 -0.00 0.15 -1.81 -2.81 0.00 0.00 174.94 170.81 2k78 s ASP 118 N 0.26 5.16 0.05 4.50 1.01 -1.10 -0.75 116.67 125.80 2k78 s ASP 118 Ca -0.01 -0.43 0.04 0.00 0.71 0.00 0.00 52.55 52.87 2k78 s ASP 118 Cb -0.04 -1.14 -0.02 0.00 1.01 0.00 0.00 42.92 42.72 2k78 s ASP 118 CO 0.01 -0.09 -0.13 -0.69 0.21 0.00 0.00 175.17 174.48 2k78 s VAL 119 N -2.23 0.99 -0.26 -1.27 1.01 -1.07 -1.83 120.40 115.74 2k78 s VAL 119 Ca 0.34 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2k78 s VAL 119 Cb -0.07 -0.94 0.15 0.00 0.00 0.00 0.00 36.38 35.52 2k78 s VAL 119 CO 0.24 -0.13 0.40 -0.47 0.00 0.00 0.00 175.10 175.14 2k78 s TYR 120 N -1.04 -0.94 0.05 5.22 5.04 -1.19 -2.93 117.35 121.56 2k78 s TYR 120 Ca -0.01 0.71 0.03 0.00 -2.44 0.00 0.00 57.07 55.35 2k78 s TYR 120 Cb -0.09 -0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.19 2k78 s TYR 120 CO 0.01 -0.82 -0.09 0.42 -1.34 0.00 0.00 175.55 173.73 2k78 s ILE 121 N 2.56 0.65 -0.33 3.14 1.09 0.48 -4.32 121.20 124.48 2k78 s ILE 121 Ca 0.12 -1.18 0.06 0.00 -1.10 0.00 0.00 60.65 58.55 2k78 s ILE 121 Cb -0.14 -0.76 0.19 0.00 -1.06 0.00 0.00 42.46 40.69 2k78 s ILE 121 CO -0.21 -0.39 0.63 1.51 -0.10 0.00 0.00 174.94 176.38 2k78 s ASP 122 N -1.70 -1.53 0.00 3.58 -4.77 -1.26 -0.04 116.67 110.95 2k78 s ASP 122 Ca -0.07 -0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.06 2k78 s ASP 122 Cb -0.09 1.95 0.00 0.00 -1.09 0.00 0.00 42.92 43.69 2k78 s ASP 122 CO 0.00 -0.25 0.00 -1.84 0.70 0.00 0.00 175.17 173.79 2k78 n GLU 123 N 5.07 0.00 -3.26 2.11 0.28 -1.12 -4.99 120.64 118.75 2k78 n GLU 123 Ca 0.07 0.00 -0.46 0.00 -0.16 0.00 0.00 57.16 56.61 2k78 n GLU 123 Cb 0.55 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.41 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 -1.52 3.92 0.18 3.44 1.02 -1.25 -0.36 119.74 125.17 2k78 s LYS 124 Ca 0.00 -2.74 -0.30 0.00 0.02 0.00 0.00 55.97 52.95 2k78 s LYS 124 Cb 0.00 -4.60 -0.08 0.00 -0.52 0.00 0.00 37.83 32.64 2k78 s LYS 124 CO 0.00 -1.37 1.03 0.14 -0.92 0.00 0.00 175.35 174.24 2k78 s VAL 125 N -0.07 4.05 -0.98 3.17 -7.23 0.19 -3.20 120.40 116.33 2k78 s VAL 125 Ca 0.28 1.82 0.00 0.00 -1.81 0.00 0.00 61.98 62.27 2k78 s VAL 125 Cb -0.09 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.69 2k78 s VAL 125 CO -0.08 0.34 0.00 0.59 -0.31 0.00 0.00 175.10 175.64 2k78 n ASN 126 N 2.22 -3.44 -0.57 4.85 5.03 -1.26 0.57 115.26 122.67 2k78 n ASN 126 Ca 0.01 0.24 -0.03 0.00 0.87 0.00 0.00 54.58 55.67 2k78 n ASN 126 Cb 0.47 -3.00 0.00 0.00 -1.02 0.00 0.00 39.78 36.23 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 -0.66 0.47 2.98 7.41 0.00 -1.19 -5.04 105.19 109.15 2k78 n GLY 127 Ca -0.13 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.58 0.14 -0.32 1.61 1.02 0.19 -5.06 119.74 112.75 2k78 s LYS 128 Ca 0.03 0.48 -0.29 0.00 0.02 0.00 0.00 55.97 56.22 2k78 s LYS 128 Cb -0.01 -0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.13 2k78 s LYS 128 CO 0.04 -0.18 1.73 -1.25 -0.92 0.00 0.00 175.35 174.77 2k78 s PRO 129 N 1.36 3.42 0.21 -1.68 0.04 -1.25 0.55 135.00 137.65 2k78 s PRO 129 Ca -0.08 1.41 0.10 0.00 0.04 0.00 0.00 61.00 62.47 2k78 s PRO 129 Cb -0.11 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 2k78 s PRO 129 CO -0.07 -1.75 -0.13 0.12 0.04 0.00 0.00 177.00 175.21 2k78 s PHE 130 N 6.50 2.53 -0.19 0.56 5.36 0.52 -4.94 117.98 128.30 2k78 s PHE 130 Ca 0.77 -0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 2k78 s PHE 130 Cb -0.22 -1.20 0.06 0.00 -0.34 0.00 0.00 43.02 41.32 2k78 s PHE 130 CO 0.33 0.56 0.03 0.15 -1.46 0.00 0.00 175.22 174.83 2k78 s LYS 131 N -3.03 0.74 -0.16 10.12 3.01 -1.26 -2.77 119.74 126.39 2k78 s LYS 131 Ca 0.26 -0.46 -0.02 0.00 -1.01 0.00 0.00 55.97 54.75 2k78 s LYS 131 Cb -0.08 -2.12 -0.01 0.00 -1.01 0.00 0.00 37.83 34.61 2k78 s LYS 131 CO 0.15 -0.63 -0.09 -0.47 0.51 0.00 0.00 175.35 174.82 2k78 s TYR 132 N 1.82 2.89 -0.44 3.18 5.04 0.94 -4.93 117.35 125.85 2k78 s TYR 132 Ca -0.01 -0.68 0.04 0.00 -2.44 0.00 0.00 57.07 53.98 2k78 s TYR 132 Cb -0.17 -1.93 0.19 0.00 0.35 0.00 0.00 41.96 40.40 2k78 s TYR 132 CO -0.08 -0.28 0.77 0.34 -1.34 0.00 0.00 175.55 174.96 2k78 s ASP 133 N 0.65 -1.24 0.00 4.32 2.15 -1.25 -0.39 116.67 120.91 2k78 s ASP 133 Ca -0.05 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 51.85 2k78 s ASP 133 Cb -0.15 1.60 0.00 0.00 -0.30 0.00 0.00 42.92 44.07 2k78 s ASP 133 CO 0.02 -0.09 0.00 1.41 -0.17 0.00 0.00 175.17 176.35 2k78 n HIS 134 N 3.51 -0.66 -4.78 -5.34 8.25 -1.15 -5.03 115.22 110.02 2k78 n HIS 134 Ca 0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.30 2k78 n HIS 134 Cb 0.58 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.55 2k78 n HIS 134 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k78 s HIS 135 N -6.62 2.34 0.37 4.41 -3.43 -1.26 -2.58 115.29 108.51 2k78 s HIS 135 Ca 0.00 -0.39 -0.09 0.00 -0.80 0.00 0.00 55.06 53.78 2k78 s HIS 135 Cb 0.00 -1.37 0.04 0.00 -1.43 0.00 0.00 32.58 29.82 2k78 s HIS 135 CO 0.00 0.18 0.65 0.66 -2.00 0.00 0.00 174.74 174.23 2k78 n TYR 136 N 1.57 -1.96 -4.00 0.38 4.01 0.07 -4.97 117.16 112.26 2k78 n TYR 136 Ca -0.17 -2.03 -0.10 0.00 -0.16 0.00 0.00 57.90 55.44 2k78 n TYR 136 Cb 0.52 0.75 -0.04 0.00 -0.31 0.00 0.00 39.34 40.26 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 -3.07 0.15 0.22 7.72 2.20 -1.26 0.15 114.94 121.05 2k78 s ASN 137 Ca 0.21 -1.08 -0.17 0.00 -0.94 0.00 0.00 52.86 50.88 2k78 s ASN 137 Cb -0.03 0.63 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 2k78 s ASN 137 CO 0.15 -1.24 0.55 0.27 -2.94 0.00 0.00 177.10 173.90 2k78 s ILE 138 N -3.61 0.02 -0.23 0.54 -4.36 0.33 -4.48 121.20 109.40 2k78 s ILE 138 Ca 0.23 -0.94 -0.18 0.00 -0.26 0.00 0.00 60.65 59.50 2k78 s ILE 138 Cb -0.01 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 2k78 s ILE 138 CO 0.12 -0.07 0.52 -0.89 0.24 0.00 0.00 174.94 174.86 2k78 s THR 139 N -3.91 5.08 0.48 8.37 2.01 -0.34 -2.71 115.64 124.62 2k78 s THR 139 Ca 0.12 0.94 -0.03 0.00 0.31 0.00 0.00 61.69 63.03 2k78 s THR 139 Cb -0.02 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2k78 s THR 139 CO 0.01 0.13 0.74 -0.31 -0.69 0.00 0.00 174.62 174.50 2k78 s TYR 140 N 1.96 3.38 -0.29 4.92 1.51 -0.25 -1.10 117.35 127.48 2k78 s TYR 140 Ca 0.23 0.52 0.02 0.00 -1.01 0.00 0.00 57.07 56.83 2k78 s TYR 140 Cb -0.15 -2.34 0.17 0.00 -0.11 0.00 0.00 41.96 39.52 2k78 s TYR 140 CO 0.09 -0.37 0.46 0.15 -1.11 0.00 0.00 175.55 174.77 2k78 s LYS 141 N -4.68 0.45 -0.06 -0.62 -0.14 -0.67 -1.42 119.74 112.61 2k78 s LYS 141 Ca 0.48 0.30 -0.18 0.00 -1.36 0.00 0.00 55.97 55.21 2k78 s LYS 141 Cb -0.10 -0.16 -0.05 0.00 -1.68 0.00 0.00 37.83 35.84 2k78 s LYS 141 CO 0.41 -0.99 0.49 -0.06 -0.76 0.00 0.00 175.35 174.45 2k78 s PHE 142 N 2.62 3.61 -0.23 3.18 0.08 -0.59 -2.14 117.98 124.51 2k78 s PHE 142 Ca 0.10 1.00 -0.00 0.00 0.12 0.00 0.00 56.93 58.16 2k78 s PHE 142 Cb -0.12 -2.50 0.07 0.00 -0.57 0.00 0.00 43.02 39.89 2k78 s PHE 142 CO -0.28 0.34 -0.01 -0.80 -0.10 0.00 0.00 175.22 174.37 2k78 s ASN 143 N -0.03 3.64 0.00 1.36 0.01 0.64 -0.39 114.94 120.17 2k78 s ASN 143 Ca 0.27 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.26 2k78 s ASN 143 Cb -0.16 -1.00 0.00 0.00 0.41 0.00 0.00 41.25 40.49 2k78 s ASN 143 CO 0.13 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 2k78 n GLY 144 N 4.78 3.49 0.00 0.66 0.00 0.26 -2.74 105.19 111.65 2k78 n GLY 144 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.81 0.00 1.61 -0.04 -1.26 -4.75 135.00 128.74 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 -2.88 0.00 -0.01 0.52 -2.24 -1.26 -4.35 114.28 104.06 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 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.85 1.23 -3.65 3.42 8.00 -1.26 -4.98 116.55 117.46 2k78 n ASP 147 Ca 0.00 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.48 2k78 n ASP 147 Cb 0.00 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 40.68 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 -3.68 -4.63 -2.69 2.53 0.31 -1.26 -4.90 118.33 104.00 2k78 n VAL 148 Ca -0.05 -0.45 -0.06 0.00 -0.01 0.00 0.00 64.34 63.77 2k78 n VAL 148 Cb 0.19 -4.02 0.11 0.00 -0.91 0.00 0.00 33.84 29.22 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 -4.29 1.73 0.00 3.52 0.00 -1.26 -5.06 120.51 115.14 2k78 n ALA 149 Ca -0.26 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 51.79 2k78 n ALA 149 Cb 0.66 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91