#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng s SER 27 N 0.00 7.13 -0.06 1.61 1.04 -1.26 -4.97 113.70 117.19 2dng s SER 27 Ca 0.00 -3.30 -0.03 0.00 0.48 0.00 0.00 55.95 53.11 2dng s SER 27 Cb 0.00 -2.21 0.04 0.00 0.10 0.00 0.00 66.02 63.95 2dng s SER 27 CO 0.00 -0.38 0.11 -0.55 0.98 0.00 0.00 173.24 173.40 2dng s SER 28 N 1.60 0.91 -0.17 7.02 0.15 -1.26 -5.05 113.70 116.90 2dng s SER 28 Ca 0.26 0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.96 2dng s SER 28 Cb -0.10 0.09 -0.14 0.00 -1.71 0.00 0.00 66.02 64.16 2dng s SER 28 CO -0.08 -0.25 0.18 1.23 1.20 0.00 0.00 173.24 175.52 2dng h GLY 29 N 8.38 0.00 -2.57 9.45 0.00 -2.02 -3.48 103.07 112.82 2dng h GLY 29 Ca -0.13 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.67 2dng h GLY 29 CO 0.15 0.00 -0.55 -0.45 0.00 0.00 0.00 176.54 175.69 2dng s SER 30 N -6.30 4.98 -0.87 0.19 0.15 -1.26 -5.07 113.70 105.51 2dng s SER 30 Ca -0.20 -0.55 -0.16 0.00 0.70 0.00 0.00 55.95 55.74 2dng s SER 30 Cb 0.03 -0.98 0.18 0.00 -1.71 0.00 0.00 66.02 63.54 2dng s SER 30 CO 0.44 -0.16 0.92 -0.55 1.20 0.00 0.00 173.24 175.10 2dng s SER 31 N -3.83 6.71 1.68 5.45 0.15 -1.26 -4.94 113.70 117.67 2dng s SER 31 Ca 0.35 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.58 2dng s SER 31 Cb -0.06 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2dng s SER 31 CO 0.23 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2dng n GLY 32 N 4.62 1.81 3.05 9.45 0.00 -1.26 -4.80 105.19 118.06 2dng n GLY 32 Ca 0.18 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 2dng n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dng n LYS 33 N 2.24 -1.36 -3.53 1.61 4.76 -1.26 -4.91 118.16 115.70 2dng n LYS 33 Ca 0.00 -0.40 -0.40 0.00 -2.87 0.00 0.00 58.31 54.64 2dng n LYS 33 Cb 0.00 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 31.71 2dng n LYS 33 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2dng s GLU 34 N -2.98 3.59 0.24 1.97 2.12 -1.26 -4.94 118.70 117.44 2dng s GLU 34 Ca 0.37 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 55.11 2dng s GLU 34 Cb -0.03 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 2dng s GLU 34 CO 0.45 -0.40 0.46 -0.51 -0.54 0.00 0.00 175.26 174.72 2dng s LEU 35 N 1.75 4.15 0.14 2.70 1.43 -1.26 -5.06 118.68 122.53 2dng s LEU 35 Ca 0.07 0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 53.36 2dng s LEU 35 Cb -0.17 -3.30 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 2dng s LEU 35 CO 0.11 -0.12 1.35 -2.16 0.23 0.00 0.00 176.35 175.76 2dng s PRO 36 N -3.50 4.35 0.01 1.29 0.04 -1.26 -4.92 135.00 131.00 2dng s PRO 36 Ca 0.40 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.72 2dng s PRO 36 Cb -0.11 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 2dng s PRO 36 CO 0.30 -0.37 0.97 -2.37 0.04 0.00 0.00 177.00 175.57 2dng n THR 37 N 3.47 0.04 -3.77 1.26 5.66 -1.26 -4.94 114.28 114.73 2dng n THR 37 Ca 0.09 -0.11 -0.13 0.00 -3.05 0.00 0.00 64.05 60.86 2dng n THR 37 Cb 0.43 0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 69.70 2dng n THR 37 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2dng s GLU 38 N -3.10 0.49 0.94 1.09 0.41 -1.26 -5.14 118.70 112.13 2dng s GLU 38 Ca 0.06 0.13 -0.12 0.00 -0.41 0.00 0.00 54.97 54.63 2dng s GLU 38 Cb 0.16 0.22 0.15 0.00 -1.78 0.00 0.00 34.13 32.88 2dng s GLU 38 CO 0.83 -0.10 1.11 -1.25 -0.49 0.00 0.00 175.26 175.36 2dng s PRO 39 N -0.52 0.93 1.08 0.39 0.04 -1.26 -4.71 135.00 130.95 2dng s PRO 39 Ca -0.06 0.44 -0.15 0.00 0.04 0.00 0.00 61.00 61.27 2dng s PRO 39 Cb -0.04 -1.80 0.23 0.00 0.04 0.00 0.00 34.50 32.93 2dng s PRO 39 CO 0.02 -2.37 1.10 -1.25 0.04 0.00 0.00 177.00 174.53 2dng s PRO 40 N -5.12 -0.26 -0.48 0.56 0.04 -1.26 -5.13 135.00 123.35 2dng s PRO 40 Ca 0.64 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.98 2dng s PRO 40 Cb -0.16 -1.68 0.13 0.00 0.04 0.00 0.00 34.50 32.82 2dng s PRO 40 CO 0.55 -3.15 0.23 0.71 0.04 0.00 0.00 177.00 175.39 2dng s TYR 41 N -2.98 3.43 0.09 0.56 2.02 -1.26 -5.05 117.35 114.16 2dng s TYR 41 Ca 0.68 -2.96 -0.15 0.00 -0.37 0.00 0.00 57.07 54.27 2dng s TYR 41 Cb -0.15 -2.97 -0.06 0.00 -0.40 0.00 0.00 41.96 38.37 2dng s TYR 41 CO 0.57 -0.84 0.50 0.99 -1.57 0.00 0.00 175.55 175.20 2dng s THR 42 N 0.25 4.91 0.07 -0.71 2.01 -1.26 -0.47 115.64 120.43 2dng s THR 42 Ca 0.14 0.86 0.05 0.00 0.31 0.00 0.00 61.69 63.05 2dng s THR 42 Cb -0.23 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2dng s THR 42 CO -0.03 0.39 -0.14 0.00 -0.69 0.00 0.00 174.62 174.15 2dng s ALA 43 N -1.29 1.17 -0.20 7.40 0.00 0.76 -3.93 121.76 125.67 2dng s ALA 43 Ca 0.32 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 2dng s ALA 43 Cb -0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2dng s ALA 43 CO 0.18 0.17 0.07 -0.47 0.00 0.00 0.00 175.76 175.71 2dng s TYR 44 N -1.25 3.22 -0.13 0.00 6.14 0.11 0.21 117.35 125.67 2dng s TYR 44 Ca -0.02 0.00 -0.01 0.00 0.64 0.00 0.00 57.07 57.69 2dng s TYR 44 Cb -0.10 -2.13 0.03 0.00 0.42 0.00 0.00 41.96 40.18 2dng s TYR 44 CO 0.02 0.05 -0.06 0.08 0.64 0.00 0.00 175.55 176.28 2dng s VAL 45 N 0.68 0.99 0.30 3.14 1.01 -0.09 -1.00 120.40 125.44 2dng s VAL 45 Ca 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2dng s VAL 45 Cb -0.13 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2dng s VAL 45 CO 0.02 0.29 0.05 0.61 0.00 0.00 0.00 175.10 176.06 2dng n GLY 46 N 4.94 3.66 2.85 4.51 0.00 0.65 -0.60 105.19 121.20 2dng n GLY 46 Ca -0.12 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.45 -2.78 -4.54 1.61 5.15 -0.93 -2.45 115.26 109.88 2dng n ASN 47 Ca -0.09 -0.49 -0.32 0.00 -0.60 0.00 0.00 54.58 53.08 2dng n ASN 47 Cb 0.42 -4.05 -0.11 0.00 -0.53 0.00 0.00 39.78 35.50 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 -5.22 2.95 1.00 1.20 1.43 -1.26 -4.57 118.68 114.21 2dng s LEU 48 Ca 0.07 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 2dng s LEU 48 Cb -0.01 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 2dng s LEU 48 CO 0.56 0.29 -0.05 -2.65 0.23 0.00 0.00 176.35 174.73 2dng n PRO 49 N 1.73 -0.51 -0.17 1.29 -0.02 -1.26 -4.87 135.00 131.20 2dng n PRO 49 Ca -0.16 -0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.10 2dng n PRO 49 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2dng n PRO 49 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2dng h PHE 50 N -1.53 0.89 -0.20 6.00 0.04 -1.99 -3.03 116.94 117.12 2dng h PHE 50 Ca -0.45 -0.14 -0.18 0.00 2.80 0.00 0.00 57.97 59.99 2dng h PHE 50 Cb 1.31 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 39.16 2dng h PHE 50 CO 0.28 0.84 -0.03 0.09 -0.60 0.00 0.00 178.31 178.88 2dng n ASN 51 N -4.38 5.61 -4.48 2.17 4.13 -1.26 -4.85 115.26 112.20 2dng n ASN 51 Ca 0.01 -2.63 -0.36 0.00 1.68 0.00 0.00 54.58 53.28 2dng n ASN 51 Cb 0.29 -1.24 -0.12 0.00 -1.54 0.00 0.00 39.78 37.17 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2dng s THR 52 N -0.24 4.32 0.38 3.41 2.01 -1.15 -4.96 115.64 119.41 2dng s THR 52 Ca 0.36 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2dng s THR 52 Cb 0.20 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2dng s THR 52 CO -0.03 0.38 0.14 0.68 -0.69 0.00 0.00 174.62 175.10 2dng s VAL 53 N 1.24 0.55 0.29 3.82 -7.23 -1.26 -5.00 120.40 112.81 2dng s VAL 53 Ca 0.04 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2dng s VAL 53 Cb -0.15 -2.43 0.41 0.00 0.56 0.00 0.00 36.38 34.78 2dng s VAL 53 CO 0.03 0.00 1.58 1.56 -0.31 0.00 0.00 175.10 177.96 2dng h GLN 54 N 1.92 0.02 0.55 4.82 4.20 -1.98 -0.91 115.11 123.73 2dng h GLN 54 Ca -0.35 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 2dng h GLN 54 Cb 1.26 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2dng h GLN 54 CO 0.55 0.01 -0.44 0.78 -0.67 0.00 0.00 178.83 179.06 2dng h GLY 55 N 0.02 -1.22 -0.70 3.46 0.00 -1.99 -2.11 103.07 100.53 2dng h GLY 55 Ca 0.53 0.54 0.06 0.00 0.00 0.00 0.00 47.33 48.46 2dng h GLY 55 CO -0.92 -0.38 -0.42 1.34 0.00 0.00 0.00 176.54 176.16 2dng n ASP 56 N -5.17 -0.75 -0.30 0.19 2.03 -0.36 0.15 116.55 112.34 2dng n ASP 56 Ca -0.12 1.31 0.05 0.00 0.52 0.00 0.00 54.79 56.55 2dng n ASP 56 Cb 0.42 -0.19 0.20 0.00 -0.72 0.00 0.00 41.12 40.83 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2dng h ILE 57 N 0.00 0.86 -0.62 5.18 1.08 -1.43 0.31 117.51 122.89 2dng h ILE 57 Ca 0.11 -0.27 0.10 0.00 -0.39 0.00 0.00 64.86 64.42 2dng h ILE 57 Cb 0.29 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.01 2dng h ILE 57 CO -0.66 0.14 0.42 -0.78 -0.69 0.00 0.00 178.15 176.58 2dng h ASP 58 N 0.78 0.39 0.30 1.72 3.58 0.21 -0.21 116.42 123.19 2dng h ASP 58 Ca 0.43 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.65 2dng h ASP 58 Cb 0.47 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.46 2dng h ASP 58 CO -0.28 0.24 -1.00 0.00 -2.88 0.00 0.00 179.24 175.31 2dng h ALA 59 N 1.69 0.29 0.03 -0.78 0.00 0.40 -1.53 119.26 119.35 2dng h ALA 59 Ca 0.29 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dng h ALA 59 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dng h ALA 59 CO -0.08 0.80 -0.01 0.82 0.00 0.00 0.00 179.25 180.77 2dng h ILE 60 N 0.24 1.21 -0.82 0.00 2.04 -0.43 -3.08 117.51 116.67 2dng h ILE 60 Ca -0.10 -0.75 -0.38 0.00 1.00 0.00 0.00 64.86 64.63 2dng h ILE 60 Cb 1.65 1.71 -0.23 0.00 -0.74 0.00 0.00 36.82 39.21 2dng h ILE 60 CO 0.18 0.19 0.49 0.49 0.00 0.00 0.00 178.15 179.50 2dng n PHE 61 N -4.95 2.58 0.08 1.37 3.72 -0.22 -4.49 117.46 115.54 2dng n PHE 61 Ca -0.08 -1.52 0.03 0.00 -0.05 0.00 0.00 57.45 55.83 2dng n PHE 61 Cb 0.19 -0.80 0.18 0.00 -0.94 0.00 0.00 39.48 38.10 2dng n PHE 61 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2dng n LYS 62 N -0.71 0.04 0.02 -1.08 2.85 -0.58 -0.17 118.16 118.53 2dng n LYS 62 Ca 0.48 0.52 0.12 0.00 -1.05 0.00 0.00 58.31 58.38 2dng n LYS 62 Cb 1.47 -1.62 0.12 0.00 -0.65 0.00 0.00 35.03 34.35 2dng n LYS 62 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dng n ASP 63 N -1.71 0.62 -4.72 -5.58 2.03 -1.26 -4.92 116.55 101.02 2dng n ASP 63 Ca -0.00 -0.25 -0.23 0.00 0.52 0.00 0.00 54.79 54.83 2dng n ASP 63 Cb 0.02 0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 2dng n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dng s LEU 64 N -3.53 3.27 -0.89 -2.67 1.43 0.76 -5.06 118.68 111.99 2dng s LEU 64 Ca 0.07 -0.71 -0.22 0.00 -1.03 0.00 0.00 54.13 52.24 2dng s LEU 64 Cb 0.16 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.70 2dng s LEU 64 CO 0.76 -0.21 1.22 -0.94 0.23 0.00 0.00 176.35 177.40 2dng s SER 65 N -3.80 6.46 -0.39 2.29 1.04 -1.26 -4.98 113.70 113.05 2dng s SER 65 Ca 0.36 -1.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.05 2dng s SER 65 Cb -0.04 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.62 2dng s SER 65 CO 0.22 -1.35 0.82 -0.63 0.98 0.00 0.00 173.24 173.28 2dng s ILE 66 N 3.98 4.66 0.00 -1.02 1.01 -1.26 -2.72 121.20 125.84 2dng s ILE 66 Ca 0.35 0.82 -0.19 0.00 0.00 0.00 0.00 60.65 61.63 2dng s ILE 66 Cb -0.06 -4.28 -0.25 0.00 0.01 0.00 0.00 42.46 37.88 2dng s ILE 66 CO -0.04 -0.56 1.07 -0.09 0.00 0.00 0.00 174.94 175.33 2dng h ARG 67 N 8.66 0.43 -1.58 2.79 2.43 -1.59 -3.49 114.38 122.03 2dng h ARG 67 Ca -0.24 -0.51 0.18 0.00 -0.81 0.00 0.00 59.98 58.60 2dng h ARG 67 Cb 1.09 0.15 -0.21 0.00 -0.42 0.00 0.00 29.97 30.58 2dng h ARG 67 CO 0.95 1.17 0.71 0.45 -1.51 0.00 0.00 179.97 181.73 2dng s SER 68 N -6.88 -0.22 0.14 -3.80 0.15 -1.24 -5.04 113.70 96.81 2dng s SER 68 Ca -0.13 0.11 0.11 0.00 0.70 0.00 0.00 55.95 56.75 2dng s SER 68 Cb 0.03 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2dng s SER 68 CO 0.84 -0.30 -0.26 -0.69 1.20 0.00 0.00 173.24 174.03 2dng s VAL 69 N -1.97 2.28 -0.25 4.45 1.01 -1.26 -1.11 120.40 123.55 2dng s VAL 69 Ca 0.06 -1.82 0.02 0.00 0.00 0.00 0.00 61.98 60.24 2dng s VAL 69 Cb -0.01 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.41 2dng s VAL 69 CO -0.04 0.04 -0.08 -0.60 0.00 0.00 0.00 175.10 174.42 2dng s ARG 70 N -2.19 1.91 -0.19 2.72 3.52 0.19 -4.99 118.95 119.93 2dng s ARG 70 Ca 0.15 -1.18 -0.07 0.00 -0.13 0.00 0.00 55.73 54.50 2dng s ARG 70 Cb -0.10 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2dng s ARG 70 CO 0.07 -0.59 0.06 -0.51 -0.81 0.00 0.00 175.30 173.52 2dng s LEU 71 N 1.25 3.79 0.23 -0.88 1.43 -1.26 -1.38 118.68 121.85 2dng s LEU 71 Ca -0.07 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2dng s LEU 71 Cb -0.19 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2dng s LEU 71 CO -0.06 0.16 0.31 -0.69 0.23 0.00 0.00 176.35 176.31 2dng s VAL 72 N 0.44 5.09 -0.05 -1.59 1.01 -1.25 -5.07 120.40 118.98 2dng s VAL 72 Ca 0.03 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2dng s VAL 72 Cb -0.13 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2dng s VAL 72 CO 0.01 -0.29 0.28 -0.13 0.00 0.00 0.00 175.10 174.97 2dng s ARG 73 N -3.82 0.53 0.73 2.72 0.52 -1.26 -3.81 118.95 114.56 2dng s ARG 73 Ca 0.34 0.00 -0.12 0.00 -0.52 0.00 0.00 55.73 55.43 2dng s ARG 73 Cb -0.09 0.24 0.19 0.00 0.52 0.00 0.00 34.95 35.80 2dng s ARG 73 CO 0.28 -0.12 0.47 -3.47 0.02 0.00 0.00 175.30 172.48 2dng n ASP 74 N 1.90 -2.74 0.00 0.23 2.03 -0.87 -4.89 116.55 112.21 2dng n ASP 74 Ca -0.19 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2dng n ASP 74 Cb 0.57 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2dng n ASP 74 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dng n LYS 75 N -3.78 0.00 -0.21 -0.67 4.01 -1.26 -3.42 118.16 112.83 2dng n LYS 75 Ca 0.07 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 58.06 2dng n LYS 75 Cb 0.31 -0.14 0.54 0.00 -0.51 0.00 0.00 35.03 35.22 2dng n LYS 75 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 2dng h ASP 76 N 0.00 0.35 0.00 4.39 2.03 -2.01 -1.85 116.42 119.33 2dng h ASP 76 Ca 0.00 0.03 -0.08 0.00 -0.73 0.00 0.00 57.03 56.25 2dng h ASP 76 Cb 0.00 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2dng h ASP 76 CO 0.00 0.15 -1.85 0.35 -1.03 0.00 0.00 179.24 176.86 2dng n THR 77 N -4.47 0.29 -2.05 1.15 -2.24 -1.26 -4.98 114.28 100.71 2dng n THR 77 Ca 0.18 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2dng n THR 77 Cb 0.68 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 2dng n THR 77 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dng n ASP 78 N -2.21 -3.19 -4.92 3.42 8.00 -0.70 -4.92 116.55 112.03 2dng n ASP 78 Ca -0.09 0.25 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 2dng n ASP 78 Cb 0.59 -2.84 -0.04 0.00 -0.02 0.00 0.00 41.12 38.81 2dng n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2dng s LYS 79 N -4.28 3.39 -0.16 -1.24 -2.85 -1.26 -4.65 119.74 108.69 2dng s LYS 79 Ca 0.00 -0.54 -0.34 0.00 -1.00 0.00 0.00 55.97 54.09 2dng s LYS 79 Cb 0.00 -2.98 -0.11 0.00 -2.06 0.00 0.00 37.83 32.68 2dng s LYS 79 CO 0.00 0.56 1.95 0.34 0.10 0.00 0.00 175.35 178.31 2dng n PHE 80 N -0.09 2.17 0.14 1.78 7.35 -1.26 -2.06 117.46 125.49 2dng n PHE 80 Ca -0.06 0.07 -0.06 0.00 -0.76 0.00 0.00 57.45 56.64 2dng n PHE 80 Cb 0.52 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 37.69 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 10.09 -0.36 0.00 -4.13 1.79 -1.92 -3.48 116.57 118.56 2dng h LYS 81 Ca -0.44 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2dng h LYS 81 Cb 1.28 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2dng h LYS 81 CO 0.96 -0.24 0.00 0.41 -1.08 0.00 0.00 179.45 179.50 2dng n GLY 82 N -1.18 0.00 3.49 3.86 0.00 -1.26 -5.06 105.19 105.02 2dng n GLY 82 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.51 -0.11 1.61 -0.71 -1.26 -2.19 117.98 114.81 2dng s PHE 83 Ca 0.00 0.57 -0.30 0.00 -1.04 0.00 0.00 56.93 56.16 2dng s PHE 83 Cb 0.00 0.50 0.08 0.00 -1.21 0.00 0.00 43.02 42.39 2dng s PHE 83 CO 0.00 -0.65 0.73 0.00 -1.34 0.00 0.00 175.22 173.96 2dng s TYR 85 N -0.86 3.27 -0.25 0.00 2.02 -0.48 -0.91 117.35 120.14 2dng s TYR 85 Ca -0.08 0.29 -0.09 0.00 -0.37 0.00 0.00 57.07 56.82 2dng s TYR 85 Cb -0.01 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 2dng s TYR 85 CO 0.07 -0.11 0.13 0.08 -1.57 0.00 0.00 175.55 174.15 2dng s VAL 86 N 1.63 4.94 -0.07 0.71 1.01 0.13 -0.63 120.40 128.12 2dng s VAL 86 Ca 0.11 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2dng s VAL 86 Cb -0.15 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2dng s VAL 86 CO 0.09 0.33 0.40 -0.70 0.00 0.00 0.00 175.10 175.21 2dng s GLU 87 N 1.38 4.08 0.53 2.72 -6.30 -0.27 -0.17 118.70 120.68 2dng s GLU 87 Ca 0.06 0.34 0.06 0.00 -2.50 0.00 0.00 54.97 52.94 2dng s GLU 87 Cb -0.15 -3.32 0.04 0.00 0.00 0.00 0.00 34.13 30.70 2dng s GLU 87 CO 0.06 0.46 0.43 -0.06 0.02 0.00 0.00 175.26 176.17 2dng s PHE 88 N -0.31 1.71 -0.13 5.30 0.08 0.38 -1.68 117.98 123.34 2dng s PHE 88 Ca 0.23 -0.80 -0.12 0.00 0.12 0.00 0.00 56.93 56.35 2dng s PHE 88 Cb -0.15 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 2dng s PHE 88 CO 0.10 -0.49 -0.24 -3.47 -0.10 0.00 0.00 175.22 171.02 2dng n ASP 89 N -1.78 1.41 -4.83 1.36 2.03 -1.10 -4.08 116.55 109.57 2dng n ASP 89 Ca 0.00 0.29 -0.28 0.00 0.52 0.00 0.00 54.79 55.33 2dng n ASP 89 Cb 0.64 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 40.29 2dng n ASP 89 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2dng s GLU 90 N -2.33 3.03 0.48 -0.67 -1.05 -1.26 -4.68 118.70 112.22 2dng s GLU 90 Ca -0.20 -0.74 0.19 0.00 -0.15 0.00 0.00 54.97 54.07 2dng s GLU 90 Cb 0.03 -2.75 1.20 0.00 -0.44 0.00 0.00 34.13 32.16 2dng s GLU 90 CO 0.29 0.52 1.99 -0.24 0.95 0.00 0.00 175.26 178.77 2dng h VAL 91 N 2.10 0.82 -0.32 1.83 3.04 -1.95 -1.50 116.25 120.28 2dng h VAL 91 Ca -0.47 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2dng h VAL 91 Cb 1.19 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 2dng h VAL 91 CO 0.66 0.04 0.18 0.44 -1.01 0.00 0.00 177.57 177.88 2dng h ASP 92 N 0.21 0.39 -0.11 3.17 3.32 -1.99 -1.21 116.42 120.20 2dng h ASP 92 Ca 0.26 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.28 2dng h ASP 92 Cb 0.73 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 2dng h ASP 92 CO -0.05 0.34 -0.38 0.28 -1.72 0.00 0.00 179.24 177.72 2dng h SER 93 N 0.40 -1.17 -0.21 6.45 0.02 -1.68 -1.19 113.55 116.18 2dng h SER 93 Ca 0.11 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2dng h SER 93 Cb 0.03 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2dng h SER 93 CO -0.02 -0.40 0.10 0.25 -1.14 0.00 0.00 176.83 175.62 2dng h LEU 94 N -0.46 0.15 -0.95 5.07 5.85 -1.52 -1.71 115.31 121.73 2dng h LEU 94 Ca 0.08 0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.05 2dng h LEU 94 Cb 0.60 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.48 2dng h LEU 94 CO -0.37 0.11 0.50 0.11 -0.34 0.00 0.00 178.44 178.46 2dng h LYS 95 N 0.22 0.47 -0.20 1.25 1.57 -0.63 0.24 116.57 119.49 2dng h LYS 95 Ca 0.09 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 2dng h LYS 95 Cb 0.02 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2dng h LYS 95 CO -0.06 0.31 -0.62 1.49 -0.57 0.00 0.00 179.45 180.00 2dng h GLU 96 N 0.49 0.69 0.00 3.15 4.57 -0.67 -2.92 114.58 119.88 2dng h GLU 96 Ca 0.61 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2dng h GLU 96 Cb 1.16 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2dng h GLU 96 CO -0.50 1.10 0.00 0.00 -1.18 0.00 0.00 179.01 178.42 2dng h ALA 97 N 0.79 1.00 0.00 2.92 0.00 0.27 -2.08 119.26 122.16 2dng h ALA 97 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2dng h ALA 97 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dng h ALA 97 CO 0.12 0.00 -0.40 -0.07 0.00 0.00 0.00 179.25 178.90 2dng h LEU 98 N 0.00 0.00 -0.94 0.00 3.38 -0.86 -3.00 115.31 113.89 2dng h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dng h LEU 98 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2dng h LEU 98 CO 0.00 0.40 0.00 0.35 0.09 0.00 0.00 178.44 179.28 2dng n THR 99 N -3.36 0.96 1.96 0.22 -2.24 -0.78 -1.56 114.28 109.47 2dng n THR 99 Ca 0.01 0.44 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 2dng n THR 99 Cb 0.60 -1.39 0.74 0.00 -2.10 0.00 0.00 70.33 68.17 2dng n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dng n TYR 100 N -2.19 0.00 -2.19 4.78 4.02 -1.14 -4.66 117.16 115.78 2dng n TYR 100 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 2dng n TYR 100 Cb 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 2dng n TYR 100 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2dng s ASP 101 N -1.80 5.50 0.00 7.72 -4.77 -0.60 -2.13 116.67 120.58 2dng s ASP 101 Ca 0.37 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 2dng s ASP 101 Cb 0.17 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.43 2dng s ASP 101 CO 0.29 -2.48 0.00 0.61 0.70 0.00 0.00 175.17 174.29 2dng n GLY 102 N 6.48 0.07 3.95 2.12 0.00 -1.26 -5.01 105.19 111.55 2dng n GLY 102 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.95 3.34 -0.11 4.61 0.00 -0.91 -4.94 121.76 122.79 2dng s ALA 103 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2dng s ALA 103 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2dng s ALA 103 CO 0.00 -1.30 -0.22 -0.51 0.00 0.00 0.00 175.76 173.73 2dng s LEU 104 N -5.17 2.18 -0.59 0.00 1.43 -1.26 -1.88 118.68 113.39 2dng s LEU 104 Ca 0.62 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 2dng s LEU 104 Cb -0.09 -1.45 0.15 0.00 0.03 0.00 0.00 46.19 44.83 2dng s LEU 104 CO 0.44 0.14 0.48 -0.22 0.23 0.00 0.00 176.35 177.42 2dng s LEU 105 N 0.45 5.92 0.00 1.79 2.96 0.82 -4.93 118.68 125.68 2dng s LEU 105 Ca -0.15 -2.24 0.00 0.00 -0.22 0.00 0.00 54.13 51.52 2dng s LEU 105 Cb -0.17 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2dng s LEU 105 CO 0.06 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 2dng n GLY 106 N 4.49 2.66 1.78 7.98 0.00 -1.26 -1.44 105.19 119.40 2dng n GLY 106 Ca -0.01 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.20 2dng n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dng n ASP 107 N 10.24 5.36 -2.44 1.61 -0.08 -1.26 -4.95 116.55 125.03 2dng n ASP 107 Ca 0.00 -2.77 -0.12 0.00 -1.51 0.00 0.00 54.79 50.38 2dng n ASP 107 Cb 0.00 -0.65 -0.05 0.00 2.34 0.00 0.00 41.12 42.76 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2dng n ARG 108 N 0.76 0.29 -3.95 -0.67 1.74 -0.52 -5.18 116.66 109.12 2dng n ARG 108 Ca 0.27 -2.13 -0.26 0.00 -0.77 0.00 0.00 57.85 54.95 2dng n ARG 108 Cb 1.09 1.78 -0.02 0.00 -1.02 0.00 0.00 32.46 34.30 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 -2.51 4.60 -0.02 0.55 1.04 -1.26 -0.13 113.70 115.97 2dng s SER 109 Ca 0.25 -1.25 0.06 0.00 0.48 0.00 0.00 55.95 55.49 2dng s SER 109 Cb 0.01 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2dng s SER 109 CO 0.18 -1.04 -0.20 -0.76 0.98 0.00 0.00 173.24 172.40 2dng s LEU 110 N -4.23 2.02 -0.32 2.42 1.43 -0.79 -4.41 118.68 114.81 2dng s LEU 110 Ca 0.33 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2dng s LEU 110 Cb -0.02 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.24 2dng s LEU 110 CO 0.20 0.24 0.06 -0.60 0.23 0.00 0.00 176.35 176.48 2dng s ARG 111 N -0.38 1.19 -0.14 1.70 6.06 -1.02 -4.00 118.95 122.35 2dng s ARG 111 Ca 0.05 -1.50 -0.00 0.00 -2.50 0.00 0.00 55.73 51.78 2dng s ARG 111 Cb -0.09 -2.69 -0.01 0.00 0.06 0.00 0.00 34.95 32.23 2dng s ARG 111 CO -0.00 -0.93 -0.13 0.08 -2.50 0.00 0.00 175.30 171.81 2dng s VAL 112 N 1.22 2.91 0.09 7.11 1.01 -1.26 -0.26 120.40 131.22 2dng s VAL 112 Ca 0.09 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 2dng s VAL 112 Cb -0.18 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.00 2dng s VAL 112 CO -0.15 0.51 0.36 -0.62 0.00 0.00 0.00 175.10 175.21 2dng s ASP 113 N 0.60 -0.19 -0.03 3.32 2.15 -0.17 -4.68 116.67 117.68 2dng s ASP 113 Ca -0.08 -0.27 -0.30 0.00 0.43 0.00 0.00 52.55 52.33 2dng s ASP 113 Cb -0.16 0.43 -0.05 0.00 -0.30 0.00 0.00 42.92 42.85 2dng s ASP 113 CO 0.03 -0.76 1.36 -0.63 -0.17 0.00 0.00 175.17 174.99 2dng s ILE 114 N -3.35 3.87 -1.01 4.11 1.01 -1.26 0.07 121.20 124.63 2dng s ILE 114 Ca 0.00 1.22 -0.27 0.00 0.00 0.00 0.00 60.65 61.60 2dng s ILE 114 Cb 0.01 -3.78 -0.21 0.00 0.01 0.00 0.00 42.46 38.49 2dng s ILE 114 CO -0.09 -0.01 2.19 0.00 0.00 0.00 0.00 174.94 177.03 2dng s ALA 115 N 2.49 0.45 0.14 9.38 0.00 -1.25 -4.80 121.76 128.17 2dng s ALA 115 Ca 0.62 -1.30 -0.33 0.00 0.00 0.00 0.00 51.96 50.95 2dng s ALA 115 Cb -0.29 -4.68 -0.17 0.00 0.00 0.00 0.00 23.12 17.98 2dng s ALA 115 CO 0.25 -6.79 0.94 -1.91 0.00 0.00 0.00 175.76 168.24 2dng n GLU 116 N 8.31 0.50 -3.78 0.00 4.07 -1.26 -4.97 120.64 123.52 2dng n GLU 116 Ca 0.43 0.18 -0.13 0.00 -0.06 0.00 0.00 57.16 57.58 2dng n GLU 116 Cb 0.46 -1.52 -0.11 0.00 -0.06 0.00 0.00 31.44 30.20 2dng n GLU 116 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2dng s GLY 117 N -0.33 -0.20 -0.02 8.31 0.00 -1.26 -5.16 107.32 108.66 2dng s GLY 117 Ca 0.75 0.79 0.04 0.00 0.00 0.00 0.00 44.72 46.29 2dng s GLY 117 CO 0.55 0.71 -0.13 -1.60 0.00 0.00 0.00 173.10 172.63 2dng s ARG 118 N 0.24 1.25 -0.11 2.90 3.00 -1.26 -5.13 118.95 119.83 2dng s ARG 118 Ca -0.01 -0.48 -0.04 0.00 -1.00 0.00 0.00 55.73 54.20 2dng s ARG 118 Cb -0.03 -1.16 0.06 0.00 0.00 0.00 0.00 34.95 33.82 2dng s ARG 118 CO -0.00 0.24 0.23 -1.59 0.00 0.00 0.00 175.30 174.17 2dng s LYS 119 N -0.10 0.12 0.64 5.12 -2.85 -1.26 -5.15 119.74 116.26 2dng s LYS 119 Ca 0.01 0.65 -0.18 0.00 -1.00 0.00 0.00 55.97 55.45 2dng s LYS 119 Cb -0.08 -0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.56 2dng s LYS 119 CO 0.00 -0.27 1.29 -1.14 0.10 0.00 0.00 175.35 175.33 2dng s GLN 120 N 2.16 2.62 1.02 1.78 0.74 -1.26 -4.95 119.66 121.78 2dng s GLN 120 Ca -0.00 2.04 -0.17 0.00 0.05 0.00 0.00 55.36 57.28 2dng s GLN 120 Cb -0.12 -1.86 0.01 0.00 1.10 0.00 0.00 33.01 32.14 2dng s GLN 120 CO -0.08 -1.54 -0.10 -3.47 -0.55 0.00 0.00 175.29 169.55 2dng n ASP 121 N -1.85 -2.82 -4.50 6.67 -0.08 -1.26 -4.91 116.55 107.81 2dng n ASP 121 Ca 0.15 0.11 -0.43 0.00 -1.51 0.00 0.00 54.79 53.12 2dng n ASP 121 Cb 0.48 -0.98 -0.08 0.00 2.34 0.00 0.00 41.12 42.88 2dng n ASP 121 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2dng s LYS 122 N -3.18 3.20 -0.80 -0.67 2.36 -1.26 -5.02 119.74 114.37 2dng s LYS 122 Ca 0.52 -0.60 -0.24 0.00 -2.55 0.00 0.00 55.97 53.10 2dng s LYS 122 Cb -0.14 -3.95 0.06 0.00 -1.05 0.00 0.00 37.83 32.75 2dng s LYS 122 CO 0.69 -0.87 1.20 0.45 1.55 0.00 0.00 175.35 178.37 2dng s SER 123 N 1.85 6.29 -0.62 1.43 0.15 -1.26 -4.97 113.70 116.58 2dng s SER 123 Ca 0.15 -1.02 -0.09 0.00 0.70 0.00 0.00 55.95 55.69 2dng s SER 123 Cb -0.16 -2.50 0.16 0.00 -1.71 0.00 0.00 66.02 61.81 2dng s SER 123 CO 0.15 -1.56 0.50 -0.83 1.20 0.00 0.00 173.24 172.70 2dng s GLY 124 N 3.96 2.35 0.92 9.45 0.00 -1.26 -5.08 107.32 117.68 2dng s GLY 124 Ca 0.33 -2.97 -0.12 0.00 0.00 0.00 0.00 44.72 41.96 2dng s GLY 124 CO 0.05 1.15 1.11 2.56 0.00 0.00 0.00 173.10 177.98 2dng s PRO 125 N 0.61 1.04 -0.92 2.90 0.04 -1.26 -5.00 135.00 132.41 2dng s PRO 125 Ca 0.12 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 2dng s PRO 125 Cb -0.20 -1.81 0.24 0.00 0.04 0.00 0.00 34.50 32.76 2dng s PRO 125 CO -0.04 -2.31 0.87 -1.12 0.04 0.00 0.00 177.00 174.45 2dng s SER 126 N -3.74 6.79 -0.07 6.66 0.01 -1.26 -4.88 113.70 117.21 2dng s SER 126 Ca 0.64 -3.13 -0.18 0.00 1.31 0.00 0.00 55.95 54.59 2dng s SER 126 Cb -0.16 -2.16 -0.14 0.00 0.21 0.00 0.00 66.02 63.77 2dng s SER 126 CO 0.55 -0.42 0.70 -1.28 0.41 0.00 0.00 173.24 173.21 2dng h SER 127 N 7.16 -0.17 0.00 2.44 0.87 -2.04 -3.58 113.55 118.22 2dng h SER 127 Ca 0.13 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2dng h SER 127 Cb 0.95 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2dng h SER 127 CO 0.85 0.41 0.00 0.61 -0.53 0.00 0.00 176.83 178.17