#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng n SER 27 N 0.00 -2.49 -4.46 1.61 2.88 -1.26 -5.05 113.62 104.85 2dng n SER 27 Ca 0.00 -0.36 -0.30 0.00 -1.33 0.00 0.00 58.87 56.89 2dng n SER 27 Cb 0.00 -3.10 -0.12 0.00 -0.75 0.00 0.00 64.21 60.24 2dng n SER 27 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dng s SER 28 N -3.66 3.75 0.60 -3.46 0.01 -1.26 -5.14 113.70 104.54 2dng s SER 28 Ca 0.05 -0.58 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 2dng s SER 28 Cb -0.01 -0.49 0.05 0.00 0.21 0.00 0.00 66.02 65.79 2dng s SER 28 CO 0.41 0.19 0.84 -0.83 0.41 0.00 0.00 173.24 174.27 2dng s GLY 29 N -2.00 1.80 -0.35 3.44 0.00 -1.26 -5.08 107.32 103.86 2dng s GLY 29 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2dng s GLY 29 CO 0.08 -0.97 0.08 -1.35 0.00 0.00 0.00 173.10 170.95 2dng s SER 30 N -4.48 4.95 0.18 1.64 1.04 -1.26 -5.00 113.70 110.77 2dng s SER 30 Ca 0.59 -1.87 -0.25 0.00 0.48 0.00 0.00 55.95 54.90 2dng s SER 30 Cb -0.10 -1.71 0.05 0.00 0.10 0.00 0.00 66.02 64.36 2dng s SER 30 CO 0.40 -0.40 1.56 -1.28 0.98 0.00 0.00 173.24 174.50 2dng h SER 31 N 7.86 -1.64 -5.00 7.02 0.87 -2.08 -3.47 113.55 117.11 2dng h SER 31 Ca -0.12 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2dng h SER 31 Cb 1.04 0.76 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2dng h SER 31 CO 0.58 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.19 2dng n GLY 32 N -1.39 2.15 3.93 5.77 0.00 -1.26 -5.07 105.19 109.32 2dng n GLY 32 Ca 0.03 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 2dng n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dng s LYS 33 N -2.34 2.79 0.11 1.61 1.02 -1.26 -5.08 119.74 116.59 2dng s LYS 33 Ca 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 55.97 55.71 2dng s LYS 33 Cb 0.00 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2dng s LYS 33 CO 0.00 -0.72 0.43 -1.83 -0.92 0.00 0.00 175.35 172.31 2dng s GLU 34 N -4.94 3.76 0.37 1.68 -1.05 -1.26 -5.09 118.70 112.16 2dng s GLU 34 Ca 0.54 0.16 -0.05 0.00 -0.15 0.00 0.00 54.97 55.48 2dng s GLU 34 Cb -0.10 -2.92 -0.05 0.00 -0.44 0.00 0.00 34.13 30.62 2dng s GLU 34 CO 0.43 0.51 0.65 -0.51 0.95 0.00 0.00 175.26 177.29 2dng s LEU 35 N -2.16 3.90 -0.04 1.83 1.43 -1.26 -5.04 118.68 117.35 2dng s LEU 35 Ca 0.37 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 2dng s LEU 35 Cb -0.13 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 2dng s LEU 35 CO 0.20 -0.34 1.42 -2.16 0.23 0.00 0.00 176.35 175.69 2dng s PRO 36 N -4.04 4.26 -0.63 1.29 0.04 -1.26 -4.92 135.00 129.74 2dng s PRO 36 Ca 0.45 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 2dng s PRO 36 Cb -0.10 -3.69 0.48 0.00 0.04 0.00 0.00 34.50 31.23 2dng s PRO 36 CO 0.35 -0.65 2.02 2.41 0.04 0.00 0.00 177.00 181.17 2dng n THR 37 N 4.95 3.55 -3.64 1.26 -1.04 -1.26 -4.90 114.28 113.20 2dng n THR 37 Ca 0.14 -2.73 -0.05 0.00 -2.04 0.00 0.00 64.05 59.37 2dng n THR 37 Cb 0.44 -1.04 -0.07 0.00 -1.82 0.00 0.00 70.33 67.84 2dng n THR 37 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dng s GLU 38 N -3.70 0.21 0.79 -2.82 -1.05 -1.26 -5.18 118.70 105.69 2dng s GLU 38 Ca 0.63 0.23 -0.12 0.00 -0.15 0.00 0.00 54.97 55.56 2dng s GLU 38 Cb 0.50 0.10 0.07 0.00 -0.44 0.00 0.00 34.13 34.36 2dng s GLU 38 CO 0.01 -0.03 1.16 -1.25 0.95 0.00 0.00 175.26 176.10 2dng s PRO 39 N -0.02 2.15 0.96 -4.83 0.04 -1.26 -4.65 135.00 127.40 2dng s PRO 39 Ca 0.06 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.16 2dng s PRO 39 Cb -0.05 -1.97 0.17 0.00 0.04 0.00 0.00 34.50 32.69 2dng s PRO 39 CO -0.12 -1.48 1.09 -1.25 0.04 0.00 0.00 177.00 175.29 2dng s PRO 40 N -5.53 0.74 -0.42 0.56 0.04 -1.26 -5.12 135.00 124.01 2dng s PRO 40 Ca 0.61 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 2dng s PRO 40 Cb -0.11 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.73 2dng s PRO 40 CO 0.50 -2.55 0.28 0.71 0.04 0.00 0.00 177.00 175.97 2dng s TYR 41 N -2.95 3.29 -0.03 0.56 2.02 -1.25 -5.03 117.35 113.96 2dng s TYR 41 Ca 0.65 -1.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2dng s TYR 41 Cb -0.18 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 2dng s TYR 41 CO 0.57 -0.78 -0.02 0.99 -1.57 0.00 0.00 175.55 174.75 2dng s THR 42 N 1.51 4.05 0.14 -0.71 2.01 -1.26 0.42 115.64 121.81 2dng s THR 42 Ca 0.03 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.57 2dng s THR 42 Cb -0.22 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2dng s THR 42 CO 0.05 0.46 -0.17 0.00 -0.69 0.00 0.00 174.62 174.27 2dng s ALA 43 N -0.99 1.76 -0.08 7.40 0.00 0.89 -4.00 121.76 126.73 2dng s ALA 43 Ca 0.17 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2dng s ALA 43 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2dng s ALA 43 CO 0.07 0.19 -0.12 -0.47 0.00 0.00 0.00 175.76 175.43 2dng s TYR 44 N -2.00 2.80 -0.05 0.00 6.14 -0.51 -0.15 117.35 123.58 2dng s TYR 44 Ca 0.12 -0.25 -0.00 0.00 0.64 0.00 0.00 57.07 57.58 2dng s TYR 44 Cb -0.06 -1.72 0.03 0.00 0.42 0.00 0.00 41.96 40.63 2dng s TYR 44 CO 0.05 0.11 0.00 0.08 0.64 0.00 0.00 175.55 176.43 2dng s VAL 45 N -0.42 0.25 0.33 3.14 1.01 -0.14 -1.74 120.40 122.83 2dng s VAL 45 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2dng s VAL 45 Cb -0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2dng s VAL 45 CO 0.02 0.20 0.08 0.61 0.00 0.00 0.00 175.10 176.01 2dng n GLY 46 N 4.66 3.52 2.46 4.51 0.00 0.30 -1.52 105.19 119.12 2dng n GLY 46 Ca -0.16 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 2dng n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dng n ASN 47 N -1.54 -2.37 -4.49 1.61 5.15 -1.26 -2.62 115.26 109.74 2dng n ASN 47 Ca -0.07 -0.36 -0.31 0.00 -0.60 0.00 0.00 54.58 53.24 2dng n ASN 47 Cb 0.47 -3.20 -0.12 0.00 -0.53 0.00 0.00 39.78 36.40 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dng s LEU 48 N -4.57 2.74 0.79 1.20 1.43 -1.25 -4.53 118.68 114.50 2dng s LEU 48 Ca 0.05 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 2dng s LEU 48 Cb -0.02 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2dng s LEU 48 CO 0.43 0.28 0.22 -2.65 0.23 0.00 0.00 176.35 174.85 2dng n PRO 49 N 1.69 0.09 0.00 1.29 -0.02 -1.26 -4.82 135.00 131.97 2dng n PRO 49 Ca -0.16 0.06 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 2dng n PRO 49 Cb 0.52 -1.61 0.43 0.00 -0.02 0.00 0.00 33.50 32.81 2dng n PRO 49 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2dng n PHE 50 N -2.57 0.00 -2.02 6.00 -1.74 -1.26 -2.59 117.46 113.29 2dng n PHE 50 Ca 0.07 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.75 2dng n PHE 50 Cb 0.51 -0.22 0.03 0.00 1.52 0.00 0.00 39.48 41.33 2dng n PHE 50 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2dng n ASN 51 N -1.22 4.60 -4.74 5.98 3.02 -1.26 -4.82 115.26 116.82 2dng n ASN 51 Ca 0.09 -3.70 -0.37 0.00 -0.03 0.00 0.00 54.58 50.57 2dng n ASN 51 Cb 0.11 -0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dng s THR 52 N -4.47 5.30 0.34 3.41 2.01 -1.07 -5.07 115.64 116.08 2dng s THR 52 Ca 0.49 0.56 0.06 0.00 0.31 0.00 0.00 61.69 63.11 2dng s THR 52 Cb 0.40 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 2dng s THR 52 CO 0.03 0.41 0.01 0.68 -0.69 0.00 0.00 174.62 175.06 2dng s VAL 53 N 0.31 1.60 0.25 3.82 -7.23 -1.26 -5.04 120.40 112.85 2dng s VAL 53 Ca 0.17 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.25 2dng s VAL 53 Cb -0.13 -2.77 0.29 0.00 0.56 0.00 0.00 36.38 34.32 2dng s VAL 53 CO 0.04 -0.08 1.64 -0.61 -0.31 0.00 0.00 175.10 175.78 2dng h GLN 54 N 2.04 0.12 -0.21 4.82 4.15 -1.98 -2.22 115.11 121.83 2dng h GLN 54 Ca -0.42 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.02 2dng h GLN 54 Cb 1.24 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 2dng h GLN 54 CO 0.73 0.08 -0.29 0.78 -1.93 0.00 0.00 178.83 178.20 2dng h GLY 55 N 0.12 -1.47 -0.76 2.39 0.00 -1.99 0.25 103.07 101.61 2dng h GLY 55 Ca 0.44 0.78 0.10 0.00 0.00 0.00 0.00 47.33 48.64 2dng h GLY 55 CO -0.67 -0.42 -0.50 -0.55 0.00 0.00 0.00 176.54 174.40 2dng h ASP 56 N -0.20 -1.79 0.04 0.19 5.19 -1.81 -1.26 116.42 116.78 2dng h ASP 56 Ca 0.04 0.29 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 2dng h ASP 56 Cb 0.30 0.81 -0.05 0.00 0.18 0.00 0.00 39.33 40.58 2dng h ASP 56 CO -0.31 -0.30 -0.48 0.40 -3.12 0.00 0.00 179.24 175.44 2dng h ILE 57 N -0.13 0.00 -0.97 0.35 1.08 -1.26 -1.11 117.51 115.47 2dng h ILE 57 Ca 0.19 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.97 2dng h ILE 57 Cb 0.52 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.10 2dng h ILE 57 CO -0.82 0.00 0.25 -0.78 -0.69 0.00 0.00 178.15 176.11 2dng h ASP 58 N -0.63 -0.10 0.24 1.72 1.82 0.03 0.25 116.42 119.75 2dng h ASP 58 Ca 0.00 0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.89 2dng h ASP 58 Cb 0.66 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2dng h ASP 58 CO -0.29 -0.34 -0.11 0.00 -1.61 0.00 0.00 179.24 176.88 2dng h ALA 59 N 1.95 -0.32 -0.41 -0.78 0.00 -0.15 0.63 119.26 120.18 2dng h ALA 59 Ca 0.68 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.55 2dng h ALA 59 Cb 1.55 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 2dng h ALA 59 CO -0.81 -0.61 -0.30 0.82 0.00 0.00 0.00 179.25 178.35 2dng h ILE 60 N -0.46 0.26 -0.95 0.00 2.04 0.52 -0.34 117.51 118.58 2dng h ILE 60 Ca -0.03 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.33 2dng h ILE 60 Cb 0.35 0.26 -0.29 0.00 -0.74 0.00 0.00 36.82 36.40 2dng h ILE 60 CO 0.05 0.00 0.60 0.49 0.00 0.00 0.00 178.15 179.29 2dng n PHE 61 N -5.41 2.92 -0.02 1.37 3.72 -0.68 -4.63 117.46 114.73 2dng n PHE 61 Ca 0.01 -1.84 -0.09 0.00 -0.05 0.00 0.00 57.45 55.49 2dng n PHE 61 Cb 0.33 -0.92 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 2dng n PHE 61 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2dng h LYS 62 N 1.01 -0.11 -1.00 -1.08 2.10 0.21 -1.64 116.57 116.05 2dng h LYS 62 Ca 0.61 0.01 0.20 0.00 -2.00 0.00 0.00 60.65 59.47 2dng h LYS 62 Cb 2.77 0.03 -0.11 0.00 -0.90 0.00 0.00 32.23 34.01 2dng h LYS 62 CO 1.06 -0.08 0.61 0.22 -2.00 0.00 0.00 179.45 179.26 2dng h ASP 63 N -0.12 0.76 -4.34 7.07 1.82 -1.82 -3.42 116.42 116.39 2dng h ASP 63 Ca 0.10 0.11 -0.51 0.00 -0.39 0.00 0.00 57.03 56.34 2dng h ASP 63 Cb 0.26 -0.03 0.09 0.00 0.68 0.00 0.00 39.33 40.34 2dng h ASP 63 CO -0.23 0.24 0.37 -0.76 -1.61 0.00 0.00 179.24 177.25 2dng s LEU 64 N -10.31 3.05 -1.14 2.28 1.43 -0.62 -4.97 118.68 108.40 2dng s LEU 64 Ca -0.11 1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.38 2dng s LEU 64 Cb 0.25 -4.39 0.18 0.00 0.03 0.00 0.00 46.19 42.27 2dng s LEU 64 CO 0.80 -1.47 1.32 -0.44 0.23 0.00 0.00 176.35 176.79 2dng s SER 65 N -3.86 7.02 -0.33 2.29 0.01 -1.26 -4.99 113.70 112.57 2dng s SER 65 Ca 0.58 -2.89 -0.29 0.00 1.31 0.00 0.00 55.95 54.66 2dng s SER 65 Cb -0.14 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 2dng s SER 65 CO 0.55 -0.74 1.52 -0.63 0.41 0.00 0.00 173.24 174.35 2dng s ILE 66 N 1.38 3.80 0.10 1.44 1.01 -1.26 -3.67 121.20 124.02 2dng s ILE 66 Ca 0.39 0.86 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 2dng s ILE 66 Cb -0.04 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 2dng s ILE 66 CO -0.03 -0.52 1.63 -0.09 0.00 0.00 0.00 174.94 175.93 2dng h ARG 67 N 10.92 0.41 -1.30 2.79 9.65 -1.14 -3.47 114.38 132.24 2dng h ARG 67 Ca -0.30 -0.08 0.14 0.00 -1.10 0.00 0.00 59.98 58.63 2dng h ARG 67 Cb 1.13 -0.06 -0.30 0.00 -1.39 0.00 0.00 29.97 29.35 2dng h ARG 67 CO 1.04 0.46 0.70 0.45 2.80 0.00 0.00 179.97 185.43 2dng s SER 68 N -5.73 -0.23 -0.21 -3.80 0.15 -1.24 -4.98 113.70 97.67 2dng s SER 68 Ca -0.13 0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 2dng s SER 68 Cb 0.08 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 2dng s SER 68 CO 0.73 -0.09 0.03 -0.69 1.20 0.00 0.00 173.24 174.42 2dng s VAL 69 N 0.01 4.23 -0.29 4.45 1.01 -1.26 -0.81 120.40 127.74 2dng s VAL 69 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2dng s VAL 69 Cb -0.05 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2dng s VAL 69 CO -0.11 0.41 0.08 -0.13 0.00 0.00 0.00 175.10 175.36 2dng s ARG 70 N 1.01 3.17 -0.28 2.72 0.52 -0.28 -5.00 118.95 120.80 2dng s ARG 70 Ca 0.03 -0.81 -0.09 0.00 -0.52 0.00 0.00 55.73 54.34 2dng s ARG 70 Cb -0.14 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2dng s ARG 70 CO 0.02 -0.41 0.13 -0.51 0.02 0.00 0.00 175.30 174.55 2dng s LEU 71 N 1.52 3.82 0.35 2.53 1.43 -1.26 -1.85 118.68 125.21 2dng s LEU 71 Ca 0.03 -0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 2dng s LEU 71 Cb -0.17 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 2dng s LEU 71 CO 0.03 -0.09 1.02 -0.69 0.23 0.00 0.00 176.35 176.85 2dng s VAL 72 N 1.66 3.84 0.02 -1.59 1.01 -1.25 -5.03 120.40 119.06 2dng s VAL 72 Ca 0.06 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.57 2dng s VAL 72 Cb -0.16 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2dng s VAL 72 CO 0.07 0.13 -0.00 -0.13 0.00 0.00 0.00 175.10 175.17 2dng s ARG 73 N -2.11 0.35 1.24 2.72 0.52 -1.26 -2.56 118.95 117.84 2dng s ARG 73 Ca 0.52 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.97 2dng s ARG 73 Cb -0.23 0.13 0.28 0.00 0.52 0.00 0.00 34.95 35.64 2dng s ARG 73 CO 0.29 -0.06 0.73 -3.47 0.02 0.00 0.00 175.30 172.81 2dng n ASP 74 N 1.52 -2.55 -0.07 0.23 2.03 -0.76 -4.89 116.55 112.06 2dng n ASP 74 Ca -0.23 -0.35 -0.18 0.00 0.52 0.00 0.00 54.79 54.55 2dng n ASP 74 Cb 0.55 -1.11 -0.13 0.00 -0.72 0.00 0.00 41.12 39.71 2dng n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2dng n LYS 75 N -4.43 0.69 0.00 -0.67 3.00 -1.26 -3.75 118.16 111.74 2dng n LYS 75 Ca 0.04 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 2dng n LYS 75 Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.98 2dng n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dng n ASP 76 N -3.28 0.00 0.33 3.14 8.00 -1.26 -4.35 116.55 119.13 2dng n ASP 76 Ca -0.38 0.16 0.22 0.00 0.71 0.00 0.00 54.79 55.50 2dng n ASP 76 Cb 1.03 -0.26 1.16 0.00 -0.02 0.00 0.00 41.12 43.03 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2dng h THR 77 N 0.00 0.07 -5.24 -3.53 1.35 -2.00 -3.45 112.91 100.12 2dng h THR 77 Ca 0.00 -0.04 -0.37 0.00 -0.55 0.00 0.00 66.41 65.45 2dng h THR 77 Cb 0.00 1.03 -0.06 0.00 -1.73 0.00 0.00 68.15 67.39 2dng h THR 77 CO 0.00 0.00 -0.55 0.47 -0.25 0.00 0.00 175.52 175.20 2dng n ASP 78 N -3.18 -3.99 -4.97 5.36 9.92 -1.25 -4.95 116.55 113.49 2dng n ASP 78 Ca -0.03 -0.34 -0.19 0.00 -0.53 0.00 0.00 54.79 53.70 2dng n ASP 78 Cb 0.09 -3.30 -0.01 0.00 -0.64 0.00 0.00 41.12 37.26 2dng n ASP 78 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2dng s LYS 79 N -5.92 2.91 0.30 -1.24 -2.85 -1.26 -4.67 119.74 107.01 2dng s LYS 79 Ca 0.36 -1.18 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 2dng s LYS 79 Cb -0.19 -2.72 -0.12 0.00 -2.06 0.00 0.00 37.83 32.74 2dng s LYS 79 CO 0.45 -0.08 1.40 0.34 0.10 0.00 0.00 175.35 177.55 2dng n PHE 80 N -1.68 2.40 -0.01 1.78 7.35 -1.26 -1.83 117.46 124.21 2dng n PHE 80 Ca 0.03 0.45 -0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2dng n PHE 80 Cb 0.59 -2.47 -0.00 0.00 0.35 0.00 0.00 39.48 37.95 2dng n PHE 80 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2dng h LYS 81 N 3.55 0.00 0.00 -4.13 1.79 -1.86 -3.45 116.57 112.46 2dng h LYS 81 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2dng h LYS 81 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2dng h LYS 81 CO 0.70 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.48 2dng n GLY 82 N 1.94 0.37 3.31 3.86 0.00 -1.26 -5.06 105.19 108.34 2dng n GLY 82 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2dng n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dng s PHE 83 N 0.00 1.95 0.05 1.61 -0.12 -1.26 -3.78 117.98 116.42 2dng s PHE 83 Ca 0.00 -0.40 -0.04 0.00 -0.05 0.00 0.00 56.93 56.43 2dng s PHE 83 Cb 0.00 -1.08 -0.02 0.00 -0.63 0.00 0.00 43.02 41.29 2dng s PHE 83 CO 0.00 0.22 0.07 0.00 -0.05 0.00 0.00 175.22 175.46 2dng s TYR 85 N -3.00 2.91 -0.25 0.00 1.51 -0.77 -0.97 117.35 116.79 2dng s TYR 85 Ca -0.02 -0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 55.39 2dng s TYR 85 Cb 0.01 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2dng s TYR 85 CO -0.06 -0.22 0.05 0.08 -1.11 0.00 0.00 175.55 174.29 2dng s VAL 86 N 0.58 4.09 0.46 0.71 1.01 0.78 -1.13 120.40 126.90 2dng s VAL 86 Ca -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2dng s VAL 86 Cb -0.15 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2dng s VAL 86 CO 0.03 0.32 0.75 -0.70 0.00 0.00 0.00 175.10 175.50 2dng s GLU 87 N 1.58 3.49 0.30 2.72 2.12 0.01 -0.08 118.70 128.84 2dng s GLU 87 Ca 0.06 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.51 2dng s GLU 87 Cb -0.15 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 2dng s GLU 87 CO 0.02 -0.17 0.28 -0.06 -0.54 0.00 0.00 175.26 174.78 2dng s PHE 88 N -2.68 1.48 -0.28 5.30 0.40 0.17 -0.64 117.98 121.73 2dng s PHE 88 Ca 0.47 -1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 55.14 2dng s PHE 88 Cb -0.10 -0.56 -0.12 0.00 0.51 0.00 0.00 43.02 42.74 2dng s PHE 88 CO 0.43 -0.86 -0.33 -3.47 0.70 0.00 0.00 175.22 171.69 2dng n ASP 89 N -1.19 1.96 -4.86 1.36 2.03 -1.24 -3.84 116.55 110.77 2dng n ASP 89 Ca 0.05 0.32 -0.26 0.00 0.52 0.00 0.00 54.79 55.43 2dng n ASP 89 Cb 0.63 -0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 2dng n ASP 89 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2dng s GLU 90 N -2.51 2.29 -0.01 -0.67 0.41 -1.26 -4.76 118.70 112.19 2dng s GLU 90 Ca -0.38 -1.93 -0.19 0.00 -0.41 0.00 0.00 54.97 52.06 2dng s GLU 90 Cb 0.14 -2.08 -0.34 0.00 -1.78 0.00 0.00 34.13 30.08 2dng s GLU 90 CO 0.50 -0.43 0.94 -0.24 -0.49 0.00 0.00 175.26 175.53 2dng h VAL 91 N 0.97 1.38 -0.95 2.63 3.04 -1.98 -3.32 116.25 118.03 2dng h VAL 91 Ca -0.39 -2.62 0.29 0.00 -1.01 0.00 0.00 66.70 62.97 2dng h VAL 91 Cb 1.29 3.11 -0.15 0.00 -2.01 0.00 0.00 31.29 33.53 2dng h VAL 91 CO 0.61 0.77 0.37 -2.24 -1.01 0.00 0.00 177.57 176.07 2dng h ASP 92 N -0.11 0.18 0.77 3.17 3.04 -1.98 0.60 116.42 122.09 2dng h ASP 92 Ca -0.21 0.21 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 2dng h ASP 92 Cb 1.92 0.24 -0.00 0.00 -1.04 0.00 0.00 39.33 40.45 2dng h ASP 92 CO 0.21 -0.20 -0.45 0.28 -2.04 0.00 0.00 179.24 177.04 2dng h SER 93 N 0.21 -1.14 -0.46 4.15 0.02 -1.98 -0.09 113.55 114.27 2dng h SER 93 Ca 0.66 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.75 2dng h SER 93 Cb 1.45 0.33 -0.07 0.00 0.14 0.00 0.00 62.40 64.25 2dng h SER 93 CO -0.68 -0.71 0.05 0.25 -1.14 0.00 0.00 176.83 174.61 2dng h LEU 94 N -1.14 -0.08 -0.36 5.07 5.85 -1.30 -0.48 115.31 122.86 2dng h LEU 94 Ca -0.10 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2dng h LEU 94 Cb 0.91 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 2dng h LEU 94 CO 0.12 -0.01 0.01 0.11 -0.34 0.00 0.00 178.44 178.32 2dng h LYS 95 N 0.17 0.10 0.00 1.25 1.57 -0.83 0.46 116.57 119.30 2dng h LYS 95 Ca 0.23 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2dng h LYS 95 Cb 0.32 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2dng h LYS 95 CO -0.34 0.07 -0.13 1.49 -0.57 0.00 0.00 179.45 179.97 2dng h GLU 96 N 0.11 0.00 0.01 3.15 4.57 -0.21 -2.21 114.58 120.01 2dng h GLU 96 Ca 0.18 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.12 2dng h GLU 96 Cb 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2dng h GLU 96 CO -0.29 0.13 -1.21 0.00 -1.18 0.00 0.00 179.01 176.46 2dng h ALA 97 N 1.87 0.43 0.00 2.92 0.00 0.62 -3.24 119.26 121.86 2dng h ALA 97 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2dng h ALA 97 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dng h ALA 97 CO 0.02 1.31 0.00 1.28 0.00 0.00 0.00 179.25 181.86 2dng n LEU 98 N -3.29 0.15 0.07 0.00 4.77 0.14 -1.83 117.00 117.01 2dng n LEU 98 Ca -0.05 0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 56.39 2dng n LEU 98 Cb 0.98 -0.54 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 2dng n LEU 98 CO 0.47 -0.44 0.11 0.71 -1.33 0.00 0.00 177.39 176.91 2dng h THR 99 N 0.00 1.67 0.00 -5.08 1.35 -1.57 -3.21 112.91 106.07 2dng h THR 99 Ca 0.00 -3.32 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 2dng h THR 99 Cb 0.17 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2dng h THR 99 CO 0.00 0.95 0.25 1.88 -0.25 0.00 0.00 175.52 178.35 2dng h TYR 100 N 0.02 0.00 -1.04 4.73 -1.99 -1.54 -3.40 116.97 113.75 2dng h TYR 100 Ca -0.04 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.42 2dng h TYR 100 Cb 1.80 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.53 2dng h TYR 100 CO 0.01 0.00 0.97 -0.40 -0.00 0.00 0.00 178.16 178.75 2dng n ASP 101 N -2.34 2.03 0.00 3.88 5.75 -1.22 -0.90 116.55 123.76 2dng n ASP 101 Ca -0.01 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2dng n ASP 101 Cb 0.28 -1.60 0.00 0.00 -1.03 0.00 0.00 41.12 38.77 2dng n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dng n GLY 102 N 6.34 1.04 3.90 6.12 0.00 -1.26 -5.02 105.19 116.32 2dng n GLY 102 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 2dng n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dng s ALA 103 N -0.61 3.05 -0.10 4.61 0.00 -0.08 -4.95 121.76 123.69 2dng s ALA 103 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2dng s ALA 103 Cb 0.00 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2dng s ALA 103 CO 0.00 -1.02 -0.13 -0.51 0.00 0.00 0.00 175.76 174.10 2dng s LEU 104 N -5.22 2.77 -0.74 0.00 1.43 -1.26 -2.39 118.68 113.27 2dng s LEU 104 Ca 0.57 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 2dng s LEU 104 Cb -0.11 -1.60 0.19 0.00 0.03 0.00 0.00 46.19 44.70 2dng s LEU 104 CO 0.49 0.25 0.62 -0.22 0.23 0.00 0.00 176.35 177.72 2dng s LEU 105 N -0.14 6.05 0.00 1.79 2.96 0.15 -4.94 118.68 124.54 2dng s LEU 105 Ca -0.01 -2.78 0.00 0.00 -0.22 0.00 0.00 54.13 51.12 2dng s LEU 105 Cb -0.13 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.51 2dng s LEU 105 CO 0.03 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 2dng n GLY 106 N 3.72 1.65 1.19 7.98 0.00 -1.26 -1.82 105.19 116.66 2dng n GLY 106 Ca 0.11 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2dng n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dng n ASP 107 N 10.84 3.55 -3.22 1.61 5.75 -1.26 -4.96 116.55 128.85 2dng n ASP 107 Ca 0.00 -2.00 -0.18 0.00 -0.01 0.00 0.00 54.79 52.60 2dng n ASP 107 Cb 0.00 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 39.75 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dng n ARG 108 N 1.53 0.69 -4.32 0.11 1.74 -0.76 -5.18 116.66 110.47 2dng n ARG 108 Ca 0.20 -2.50 -0.30 0.00 -0.77 0.00 0.00 57.85 54.48 2dng n ARG 108 Cb 0.61 1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 33.37 2dng n ARG 108 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dng s SER 109 N -2.82 4.40 -0.01 0.55 1.04 -1.26 0.33 113.70 115.94 2dng s SER 109 Ca 0.15 -1.49 0.06 0.00 0.48 0.00 0.00 55.95 55.15 2dng s SER 109 Cb 0.01 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 2dng s SER 109 CO 0.10 -1.05 -0.20 -0.76 0.98 0.00 0.00 173.24 172.32 2dng s LEU 110 N -4.12 2.05 -0.32 2.42 1.43 -1.01 -4.49 118.68 114.64 2dng s LEU 110 Ca 0.18 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2dng s LEU 110 Cb -0.01 -1.00 0.10 0.00 0.03 0.00 0.00 46.19 45.31 2dng s LEU 110 CO 0.11 0.23 0.09 -0.60 0.23 0.00 0.00 176.35 176.41 2dng s ARG 111 N -0.55 0.96 -0.24 1.70 6.06 -1.08 -4.05 118.95 121.75 2dng s ARG 111 Ca 0.07 -1.34 -0.04 0.00 -2.50 0.00 0.00 55.73 51.92 2dng s ARG 111 Cb -0.08 -2.36 -0.00 0.00 0.06 0.00 0.00 34.95 32.57 2dng s ARG 111 CO -0.00 -0.98 -0.02 0.08 -2.50 0.00 0.00 175.30 171.88 2dng s VAL 112 N 1.36 3.43 0.15 7.11 1.01 -1.26 -0.54 120.40 131.66 2dng s VAL 112 Ca 0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2dng s VAL 112 Cb -0.18 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2dng s VAL 112 CO -0.19 0.33 0.06 -1.81 0.00 0.00 0.00 175.10 173.48 2dng s ASP 113 N 1.46 0.45 0.07 3.32 1.01 -0.71 -4.70 116.67 117.56 2dng s ASP 113 Ca 0.04 -1.22 -0.31 0.00 0.71 0.00 0.00 52.55 51.77 2dng s ASP 113 Cb -0.15 0.27 -0.08 0.00 1.01 0.00 0.00 42.92 43.98 2dng s ASP 113 CO -0.02 -0.72 1.55 -0.63 0.21 0.00 0.00 175.17 175.57 2dng s ILE 114 N -3.99 3.19 -1.04 0.77 1.01 -1.26 -1.42 121.20 118.45 2dng s ILE 114 Ca 0.26 0.68 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 2dng s ILE 114 Cb 0.07 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 39.17 2dng s ILE 114 CO 0.03 0.01 1.45 0.00 0.00 0.00 0.00 174.94 176.43 2dng s ALA 115 N 2.26 2.86 -0.22 9.38 0.00 -1.26 -4.69 121.76 130.10 2dng s ALA 115 Ca 0.70 -2.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 2dng s ALA 115 Cb -0.38 -4.49 -0.11 0.00 0.00 0.00 0.00 23.12 18.14 2dng s ALA 115 CO 0.30 -3.51 -0.24 -0.85 0.00 0.00 0.00 175.76 171.46 2dng n GLU 116 N 8.56 0.49 0.00 0.00 0.28 -1.26 -4.90 120.64 123.81 2dng n GLU 116 Ca 0.34 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 2dng n GLU 116 Cb 0.50 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.04 2dng n GLU 116 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dng n GLY 117 N 1.97 2.32 0.07 -1.84 0.00 -1.26 -4.93 105.19 101.52 2dng n GLY 117 Ca -0.41 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2dng n GLY 117 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dng h ARG 118 N 0.00 0.00 0.09 1.61 3.08 -1.98 -3.38 114.38 113.80 2dng h ARG 118 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dng h ARG 118 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2dng h ARG 118 CO 0.00 0.65 -0.04 0.87 -1.07 0.00 0.00 179.97 180.38 2dng h LYS 119 N -1.00 -0.12 -4.66 0.04 1.79 -2.06 -3.40 116.57 107.15 2dng h LYS 119 Ca -0.06 0.01 -0.70 0.00 -2.18 0.00 0.00 60.65 57.72 2dng h LYS 119 Cb 0.75 0.03 -0.27 0.00 -1.58 0.00 0.00 32.23 31.16 2dng h LYS 119 CO -0.03 0.19 -0.57 1.14 -1.08 0.00 0.00 179.45 179.09 2dng s GLN 120 N -4.93 2.77 0.13 3.15 -2.07 -1.26 -5.09 119.66 112.37 2dng s GLN 120 Ca -0.15 -1.09 0.03 0.00 -1.82 0.00 0.00 55.36 52.33 2dng s GLN 120 Cb 0.03 -3.55 -0.04 0.00 -1.09 0.00 0.00 33.01 28.36 2dng s GLN 120 CO 0.64 -0.64 0.18 0.34 -1.32 0.00 0.00 175.29 174.49 2dng s ASP 121 N 1.48 5.91 0.07 12.60 -1.08 -1.26 -4.54 116.67 129.85 2dng s ASP 121 Ca 0.00 0.05 -0.31 0.00 -0.52 0.00 0.00 52.55 51.78 2dng s ASP 121 Cb -0.19 -1.68 -0.09 0.00 -1.46 0.00 0.00 42.92 39.50 2dng s ASP 121 CO 0.04 0.10 1.75 -1.59 0.52 0.00 0.00 175.17 176.00 2dng s LYS 122 N -2.92 4.17 -0.90 4.34 -2.85 -1.26 -4.94 119.74 115.38 2dng s LYS 122 Ca 0.32 2.44 -0.15 0.00 -1.00 0.00 0.00 55.97 57.58 2dng s LYS 122 Cb -0.11 -3.71 0.19 0.00 -2.06 0.00 0.00 37.83 32.14 2dng s LYS 122 CO 0.25 -0.81 0.95 0.45 0.10 0.00 0.00 175.35 176.30 2dng s SER 123 N 2.87 6.77 0.00 0.03 0.15 -1.26 -4.89 113.70 117.37 2dng s SER 123 Ca 0.78 -2.55 0.00 0.00 0.70 0.00 0.00 55.95 54.88 2dng s SER 123 Cb -0.42 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dng s SER 123 CO 0.35 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2dng n GLY 124 N 4.42 0.54 3.69 9.45 0.00 -1.26 -4.94 105.19 117.10 2dng n GLY 124 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2dng n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dng s PRO 125 N 0.00 4.29 -0.23 1.61 0.04 -1.26 -4.94 135.00 134.52 2dng s PRO 125 Ca 0.00 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 2dng s PRO 125 Cb 0.00 -3.52 -0.17 0.00 0.04 0.00 0.00 34.50 30.85 2dng s PRO 125 CO 0.00 -0.54 0.05 0.43 0.04 0.00 0.00 177.00 176.98 2dng n SER 126 N 5.12 1.89 -3.90 6.66 7.64 -1.26 -5.00 113.62 124.77 2dng n SER 126 Ca 0.13 0.40 -0.11 0.00 1.01 0.00 0.00 58.87 60.30 2dng n SER 126 Cb 0.44 -0.93 -0.13 0.00 -1.01 0.00 0.00 64.21 62.58 2dng n SER 126 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dng s SER 127 N -7.03 0.06 0.00 6.43 1.04 -1.26 -5.28 113.70 107.66 2dng s SER 127 Ca -0.32 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2dng s SER 127 Cb 0.08 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dng s SER 127 CO 0.56 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.27