#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 3.83 -0.39 1.61 0.01 -1.26 -5.05 113.70 112.45 2dng s SER 27 Ca 0.00 -0.45 -0.38 0.00 1.31 0.00 0.00 55.95 56.43 2dng s SER 27 Cb 0.00 -1.61 -0.14 0.00 0.21 0.00 0.00 66.02 64.48 2dng s SER 27 CO 0.00 0.05 2.15 -1.20 0.41 0.00 0.00 173.24 174.66 2dng n SER 28 N 4.28 1.70 -4.01 2.44 7.64 -1.26 -4.90 113.62 119.52 2dng n SER 28 Ca -0.19 0.53 -0.31 0.00 1.01 0.00 0.00 58.87 59.91 2dng n SER 28 Cb 0.51 -1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 62.42 2dng n SER 28 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dng s GLY 29 N 6.72 1.81 0.42 0.23 0.00 -1.26 -5.11 107.32 110.13 2dng s GLY 29 Ca 1.12 -2.30 0.04 0.00 0.00 0.00 0.00 44.72 43.58 2dng s GLY 29 CO 0.55 0.93 0.59 -0.45 0.00 0.00 0.00 173.10 174.73 2dng s SER 30 N 1.00 5.75 -0.15 1.64 0.15 -1.26 -5.11 113.70 115.73 2dng s SER 30 Ca 0.07 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2dng s SER 30 Cb -0.19 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 2dng s SER 30 CO -0.09 -0.69 -0.14 -0.44 1.20 0.00 0.00 173.24 173.09 2dng s SER 31 N -4.26 2.68 0.00 5.45 0.01 -1.26 -5.10 113.70 111.22 2dng s SER 31 Ca 0.50 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2dng s SER 31 Cb -0.10 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2dng s SER 31 CO 0.34 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2dng n GLY 32 N 4.78 5.38 3.67 3.44 0.00 -1.26 -5.13 105.19 116.07 2dng n GLY 32 Ca -0.17 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 2.06 4.23 0.00 1.61 1.02 -1.26 -4.99 119.74 122.41 2dng s LYS 33 Ca 0.00 0.52 -0.29 0.00 0.02 0.00 0.00 55.97 56.22 2dng s LYS 33 Cb 0.00 -3.55 -0.15 0.00 -0.52 0.00 0.00 37.83 33.62 2dng s LYS 33 CO 0.00 -0.14 0.78 -0.85 -0.92 0.00 0.00 175.35 174.22 2dng n GLU 34 N 4.70 0.00 -2.56 1.68 0.28 -1.26 -4.88 120.64 118.60 2dng n GLU 34 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.65 2dng n GLU 34 Cb 0.50 -1.09 -0.04 0.00 1.43 0.00 0.00 31.44 32.24 2dng n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dng s LEU 35 N 0.03 3.71 0.16 -1.84 1.43 -1.26 -4.98 118.68 115.92 2dng s LEU 35 Ca 0.66 1.47 -0.33 0.00 -1.03 0.00 0.00 54.13 54.91 2dng s LEU 35 Cb -0.93 -4.39 -0.16 0.00 0.03 0.00 0.00 46.19 40.75 2dng s LEU 35 CO 0.42 -0.52 1.06 -2.65 0.23 0.00 0.00 176.35 174.89 2dng n PRO 36 N -1.40 0.87 0.02 1.29 -0.02 -1.26 -4.91 135.00 129.59 2dng n PRO 36 Ca 0.06 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.70 2dng n PRO 36 Cb 0.54 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 2dng n PRO 36 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2dng h THR 37 N 2.44 0.94 -3.18 3.45 1.35 -1.97 -3.48 112.91 112.47 2dng h THR 37 Ca -0.42 -2.68 -0.10 0.00 -0.55 0.00 0.00 66.41 62.66 2dng h THR 37 Cb 1.37 2.58 -0.18 0.00 -1.73 0.00 0.00 68.15 70.19 2dng h THR 37 CO 0.67 0.73 -0.25 -1.83 -0.25 0.00 0.00 175.52 174.59 2dng s GLU 38 N -2.60 0.76 0.99 4.72 1.03 -1.26 -5.17 118.70 117.16 2dng s GLU 38 Ca -0.10 -0.37 -0.12 0.00 0.03 0.00 0.00 54.97 54.40 2dng s GLU 38 Cb 0.07 0.33 0.18 0.00 -0.80 0.00 0.00 34.13 33.92 2dng s GLU 38 CO 0.82 -0.23 1.10 -1.25 -1.33 0.00 0.00 175.26 174.37 2dng s PRO 39 N -2.06 0.52 0.88 -4.83 0.04 -1.26 -4.69 135.00 123.60 2dng s PRO 39 Ca -0.08 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.35 2dng s PRO 39 Cb -0.03 -1.75 0.12 0.00 0.04 0.00 0.00 34.50 32.89 2dng s PRO 39 CO -0.00 -2.67 1.09 -1.25 0.04 0.00 0.00 177.00 174.21 2dng s PRO 40 N -4.99 1.35 -0.23 0.56 0.04 -1.26 -5.14 135.00 125.33 2dng s PRO 40 Ca 0.65 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 2dng s PRO 40 Cb -0.18 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dng s PRO 40 CO 0.57 -2.19 0.05 0.71 0.04 0.00 0.00 177.00 176.18 2dng s TYR 41 N -2.93 3.08 -0.03 0.56 2.02 -1.25 -5.06 117.35 113.74 2dng s TYR 41 Ca 0.63 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 57.00 2dng s TYR 41 Cb -0.18 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 2dng s TYR 41 CO 0.57 -0.29 -0.25 0.99 -1.57 0.00 0.00 175.55 175.00 2dng s THR 42 N 1.34 1.96 0.03 -0.71 2.01 -1.26 -1.23 115.64 117.78 2dng s THR 42 Ca 0.05 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.06 2dng s THR 42 Cb -0.15 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 2dng s THR 42 CO 0.03 0.55 -0.19 0.00 -0.69 0.00 0.00 174.62 174.32 2dng s ALA 43 N -0.48 1.57 -0.17 7.40 0.00 -0.15 -3.92 121.76 126.02 2dng s ALA 43 Ca 0.07 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 2dng s ALA 43 Cb -0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2dng s ALA 43 CO 0.00 0.35 0.29 -0.47 0.00 0.00 0.00 175.76 175.92 2dng s TYR 44 N -0.76 3.45 -0.29 0.00 6.14 0.09 -0.35 117.35 125.64 2dng s TYR 44 Ca 0.06 0.58 0.01 0.00 0.64 0.00 0.00 57.07 58.35 2dng s TYR 44 Cb -0.08 -2.34 0.09 0.00 0.42 0.00 0.00 41.96 40.05 2dng s TYR 44 CO 0.01 0.23 0.04 0.08 0.64 0.00 0.00 175.55 176.55 2dng s VAL 45 N 0.50 1.39 0.27 3.14 1.01 0.81 -1.87 120.40 125.66 2dng s VAL 45 Ca 0.16 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.62 2dng s VAL 45 Cb -0.13 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2dng s VAL 45 CO 0.04 -0.46 0.10 0.61 0.00 0.00 0.00 175.10 175.39 2dng n GLY 46 N 4.66 3.40 2.44 4.51 0.00 -0.05 -1.41 105.19 118.75 2dng n GLY 46 Ca -0.04 -2.27 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.52 -2.70 -4.39 1.61 4.05 -1.25 -1.85 115.26 109.20 2dng n ASN 47 Ca -0.06 -0.33 -0.31 0.00 0.45 0.00 0.00 54.58 54.33 2dng n ASN 47 Cb 0.33 -3.07 -0.14 0.00 1.23 0.00 0.00 39.78 38.13 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dng s LEU 48 N -4.46 2.35 0.97 1.20 1.43 -1.23 -4.30 118.68 114.65 2dng s LEU 48 Ca 0.09 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 2dng s LEU 48 Cb -0.04 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2dng s LEU 48 CO 0.41 0.27 0.04 -2.65 0.23 0.00 0.00 176.35 174.64 2dng n PRO 49 N 1.78 -0.28 -0.19 1.29 -0.02 -1.26 -4.85 135.00 131.46 2dng n PRO 49 Ca -0.17 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.17 2dng n PRO 49 Cb 0.52 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.43 1.01 -0.07 6.00 0.04 -1.95 -3.03 116.94 117.51 2dng h PHE 50 Ca -0.44 -0.16 -0.12 0.00 2.80 0.00 0.00 57.97 60.05 2dng h PHE 50 Cb 1.29 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 39.13 2dng h PHE 50 CO 0.32 0.91 -0.14 0.27 -0.60 0.00 0.00 178.31 179.08 2dng n ASN 51 N -4.30 5.40 -4.79 2.17 6.94 -1.26 -4.87 115.26 114.55 2dng n ASN 51 Ca 0.02 -2.51 -0.36 0.00 -0.02 0.00 0.00 54.58 51.71 2dng n ASN 51 Cb 0.30 -1.26 -0.07 0.00 -2.36 0.00 0.00 39.78 36.39 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2dng s THR 52 N 0.24 5.42 0.14 5.53 2.01 -1.15 -5.05 115.64 122.78 2dng s THR 52 Ca 0.33 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.61 2dng s THR 52 Cb 0.17 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2dng s THR 52 CO -0.01 0.51 -0.06 0.68 -0.69 0.00 0.00 174.62 175.05 2dng s VAL 53 N -0.19 0.88 0.33 3.82 -7.23 -1.26 -5.00 120.40 111.74 2dng s VAL 53 Ca 0.12 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2dng s VAL 53 Cb -0.12 -1.88 0.36 0.00 0.56 0.00 0.00 36.38 35.30 2dng s VAL 53 CO 0.01 -0.70 1.60 -0.61 -0.31 0.00 0.00 175.10 175.09 2dng h GLN 54 N 2.81 0.08 0.14 4.82 4.15 -1.98 -1.32 115.11 123.81 2dng h GLN 54 Ca -0.36 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2dng h GLN 54 Cb 1.19 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 2dng h GLN 54 CO 0.64 0.06 -0.26 0.78 -1.93 0.00 0.00 178.83 178.11 2dng h GLY 55 N 0.09 -1.11 -0.91 2.39 0.00 -2.00 -1.34 103.07 100.20 2dng h GLY 55 Ca 0.68 0.53 0.16 0.00 0.00 0.00 0.00 47.33 48.71 2dng h GLY 55 CO -0.78 -0.35 -0.28 1.22 0.00 0.00 0.00 176.54 176.35 2dng n ASP 56 N -3.92 -0.43 0.23 0.19 8.00 -0.51 -0.29 116.55 119.82 2dng n ASP 56 Ca -0.05 1.57 -0.16 0.00 0.71 0.00 0.00 54.79 56.87 2dng n ASP 56 Cb 0.22 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dng h ILE 57 N 0.00 0.28 -0.99 0.53 1.08 -1.34 -1.97 117.51 115.10 2dng h ILE 57 Ca 0.39 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 65.21 2dng h ILE 57 Cb 0.61 0.28 -0.17 0.00 -3.07 0.00 0.00 36.82 34.47 2dng h ILE 57 CO -0.92 0.00 0.41 -0.78 -0.69 0.00 0.00 178.15 176.17 2dng h ASP 58 N -0.73 0.17 -0.06 1.72 3.58 0.51 0.41 116.42 122.02 2dng h ASP 58 Ca -0.02 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2dng h ASP 58 Cb 0.66 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2dng h ASP 58 CO -0.06 -0.32 -0.01 0.00 -2.88 0.00 0.00 179.24 175.96 2dng h ALA 59 N 1.94 0.09 -0.92 -0.78 0.00 -0.77 0.25 119.26 119.07 2dng h ALA 59 Ca 0.74 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.57 2dng h ALA 59 Cb 1.80 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2dng h ALA 59 CO -0.75 -0.20 0.59 0.82 0.00 0.00 0.00 179.25 179.71 2dng h ILE 60 N -0.21 0.89 -0.45 0.00 2.04 0.45 -1.13 117.51 119.09 2dng h ILE 60 Ca 0.02 -0.28 -0.25 0.00 1.00 0.00 0.00 64.86 65.35 2dng h ILE 60 Cb 0.41 -0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.34 2dng h ILE 60 CO 0.01 0.15 -0.01 0.49 0.00 0.00 0.00 178.15 178.79 2dng n PHE 61 N -4.57 1.42 0.08 1.37 3.72 -0.25 -4.68 117.46 114.56 2dng n PHE 61 Ca 0.17 -1.71 0.05 0.00 -0.05 0.00 0.00 57.45 55.91 2dng n PHE 61 Cb 0.39 -0.57 0.26 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.11 0.06 0.02 -1.08 2.85 0.86 -0.24 118.16 119.51 2dng n LYS 62 Ca 0.38 0.54 0.00 0.00 -1.05 0.00 0.00 58.31 58.18 2dng n LYS 62 Cb 1.09 -1.76 -0.10 0.00 -0.65 0.00 0.00 35.03 33.62 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 -1.83 0.68 -4.94 -5.58 -0.08 -1.26 -4.92 116.55 98.62 2dng n ASP 63 Ca -0.01 0.30 -0.26 0.00 -1.51 0.00 0.00 54.79 53.31 2dng n ASP 63 Cb 0.06 0.44 -0.03 0.00 2.34 0.00 0.00 41.12 43.93 2dng n ASP 63 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2dng s LEU 64 N -5.61 4.32 -0.10 -2.67 1.43 0.66 -5.07 118.68 111.64 2dng s LEU 64 Ca -0.04 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2dng s LEU 64 Cb 0.09 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2dng s LEU 64 CO 0.82 0.03 1.15 -0.55 0.23 0.00 0.00 176.35 178.03 2dng s SER 65 N -3.26 7.08 -0.28 2.29 0.15 -1.26 -4.94 113.70 113.48 2dng s SER 65 Ca 0.35 1.69 0.02 0.00 0.70 0.00 0.00 55.95 58.71 2dng s SER 65 Cb -0.11 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.71 2dng s SER 65 CO 0.29 -0.59 -0.07 -0.63 1.20 0.00 0.00 173.24 173.44 2dng s ILE 66 N 2.46 2.33 -0.04 6.45 1.01 -1.26 -3.45 121.20 128.69 2dng s ILE 66 Ca 0.53 -1.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.25 2dng s ILE 66 Cb -0.22 -2.42 -0.31 0.00 0.01 0.00 0.00 42.46 39.52 2dng s ILE 66 CO 0.18 -0.13 0.91 -0.09 0.00 0.00 0.00 174.94 175.81 2dng h ARG 67 N 7.79 0.30 -2.43 2.79 2.43 -1.62 -3.49 114.38 120.15 2dng h ARG 67 Ca -0.17 -0.49 -0.00 0.00 -0.81 0.00 0.00 59.98 58.51 2dng h ARG 67 Cb 1.04 0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.61 2dng h ARG 67 CO 0.48 1.23 0.28 0.45 -1.51 0.00 0.00 179.97 180.90 2dng s SER 68 N -6.93 -0.54 -0.08 -3.80 0.15 -1.25 -5.03 113.70 96.21 2dng s SER 68 Ca -0.14 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.78 2dng s SER 68 Cb 0.01 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 2dng s SER 68 CO 0.83 -0.74 -0.08 -0.69 1.20 0.00 0.00 173.24 173.76 2dng s VAL 69 N -2.59 0.94 -0.46 4.45 1.01 -1.26 -0.33 120.40 122.15 2dng s VAL 69 Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2dng s VAL 69 Cb -0.01 -0.93 0.08 0.00 0.00 0.00 0.00 36.38 35.53 2dng s VAL 69 CO -0.04 0.33 0.37 -0.60 0.00 0.00 0.00 175.10 175.16 2dng s ARG 70 N 1.21 2.85 -0.58 2.72 3.52 0.41 -4.98 118.95 124.09 2dng s ARG 70 Ca -0.05 -1.44 -0.25 0.00 -0.13 0.00 0.00 55.73 53.86 2dng s ARG 70 Cb -0.14 -4.04 0.04 0.00 -1.56 0.00 0.00 34.95 29.25 2dng s ARG 70 CO -0.02 -1.05 1.04 -0.51 -0.81 0.00 0.00 175.30 173.95 2dng s LEU 71 N 1.56 3.88 -0.04 -0.88 1.43 -1.26 -1.14 118.68 122.23 2dng s LEU 71 Ca 0.04 -0.30 -0.35 0.00 -1.03 0.00 0.00 54.13 52.49 2dng s LEU 71 Cb -0.25 -2.85 -0.13 0.00 0.03 0.00 0.00 46.19 42.99 2dng s LEU 71 CO 0.05 -1.37 1.77 0.52 0.23 0.00 0.00 176.35 177.55 2dng n VAL 72 N 6.31 0.40 -4.18 -1.59 0.31 -1.13 -4.92 118.33 113.52 2dng n VAL 72 Ca 0.03 -0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 2dng n VAL 72 Cb 0.48 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.62 2dng n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dng s ARG 73 N 3.14 1.01 0.68 5.55 1.70 -1.26 -1.62 118.95 128.15 2dng s ARG 73 Ca 0.90 -1.49 -0.09 0.00 -0.47 0.00 0.00 55.73 54.58 2dng s ARG 73 Cb -0.74 0.15 0.15 0.00 -0.57 0.00 0.00 34.95 33.94 2dng s ARG 73 CO 0.50 -0.26 0.93 -3.47 -1.08 0.00 0.00 175.30 171.91 2dng n ASP 74 N -0.16 0.35 -0.11 -2.89 2.03 -1.26 -4.93 116.55 109.59 2dng n ASP 74 Ca -0.04 -1.51 -0.25 0.00 0.52 0.00 0.00 54.79 53.51 2dng n ASP 74 Cb 0.64 -0.68 -0.11 0.00 -0.72 0.00 0.00 41.12 40.25 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 -2.90 0.60 -0.00 -0.67 4.81 -1.26 -3.48 118.16 115.26 2dng n LYS 75 Ca 0.12 0.38 -0.01 0.00 -0.87 0.00 0.00 58.31 57.93 2dng n LYS 75 Cb 0.44 -1.61 -0.00 0.00 0.02 0.00 0.00 35.03 33.87 2dng n LYS 75 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2dng h ASP 76 N -0.83 -0.05 -0.10 3.14 1.82 -2.03 -3.36 116.42 115.01 2dng h ASP 76 Ca -0.53 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.03 2dng h ASP 76 Cb 1.56 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 41.56 2dng h ASP 76 CO -0.27 0.20 -0.16 0.71 -1.61 0.00 0.00 179.24 178.11 2dng h THR 77 N -0.52 1.24 -6.43 2.25 1.35 -2.00 -3.46 112.91 105.33 2dng h THR 77 Ca -0.01 -1.07 -0.50 0.00 -0.55 0.00 0.00 66.41 64.28 2dng h THR 77 Cb 0.04 1.20 -0.14 0.00 -1.73 0.00 0.00 68.15 67.53 2dng h THR 77 CO 0.01 0.35 -0.77 -0.90 -0.25 0.00 0.00 175.52 173.96 2dng n ASP 78 N -4.18 -3.85 -4.44 5.36 5.68 -1.23 -4.92 116.55 108.97 2dng n ASP 78 Ca 0.00 -0.85 -0.33 0.00 -0.50 0.00 0.00 54.79 53.11 2dng n ASP 78 Cb 0.34 -3.13 -0.13 0.00 -1.14 0.00 0.00 41.12 37.06 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2dng s LYS 79 N -6.71 3.46 -0.51 0.11 1.02 -1.26 -4.73 119.74 111.12 2dng s LYS 79 Ca 0.68 -0.61 -0.32 0.00 0.02 0.00 0.00 55.97 55.74 2dng s LYS 79 Cb -0.36 -2.74 -0.16 0.00 -0.52 0.00 0.00 37.83 34.05 2dng s LYS 79 CO 0.84 0.26 1.83 0.34 -0.92 0.00 0.00 175.35 177.69 2dng n PHE 80 N 3.43 0.80 0.19 3.18 7.35 -1.26 -4.11 117.46 127.04 2dng n PHE 80 Ca -0.18 0.53 -0.12 0.00 -0.76 0.00 0.00 57.45 56.92 2dng n PHE 80 Cb 0.53 -1.84 -0.06 0.00 0.35 0.00 0.00 39.48 38.45 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 7.82 -0.63 0.00 -4.13 1.79 -1.66 -3.47 116.57 116.28 2dng h LYS 81 Ca -0.07 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2dng h LYS 81 Cb 1.11 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2dng h LYS 81 CO 0.93 -0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.29 2dng n GLY 82 N -1.36 0.21 3.51 3.86 0.00 -1.26 -5.01 105.19 105.13 2dng n GLY 82 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 2.65 0.08 1.61 -0.71 -1.26 -3.49 117.98 116.86 2dng s PHE 83 Ca 0.00 -0.20 -0.01 0.00 -1.04 0.00 0.00 56.93 55.69 2dng s PHE 83 Cb 0.00 -1.48 -0.04 0.00 -1.21 0.00 0.00 43.02 40.29 2dng s PHE 83 CO 0.00 0.31 -0.02 0.00 -1.34 0.00 0.00 175.22 174.18 2dng s TYR 85 N -3.90 2.77 -0.12 0.00 1.51 -0.29 -0.13 117.35 117.18 2dng s TYR 85 Ca 0.12 -0.84 -0.06 0.00 -1.01 0.00 0.00 57.07 55.29 2dng s TYR 85 Cb 0.07 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2dng s TYR 85 CO -0.06 -0.33 0.08 0.08 -1.11 0.00 0.00 175.55 174.21 2dng s VAL 86 N 0.52 5.01 -0.33 0.71 1.01 0.53 -0.45 120.40 127.40 2dng s VAL 86 Ca -0.10 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2dng s VAL 86 Cb -0.16 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2dng s VAL 86 CO 0.04 0.58 0.25 -0.70 0.00 0.00 0.00 175.10 175.28 2dng s GLU 87 N -0.70 3.57 -0.09 2.72 2.12 0.55 -0.97 118.70 125.90 2dng s GLU 87 Ca 0.12 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 54.78 2dng s GLU 87 Cb -0.12 -3.79 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2dng s GLU 87 CO 0.03 -0.42 0.25 -0.06 -0.54 0.00 0.00 175.26 174.52 2dng s PHE 88 N 1.77 3.61 0.01 5.30 0.08 -0.37 -1.51 117.98 126.88 2dng s PHE 88 Ca 0.07 0.69 -0.10 0.00 0.12 0.00 0.00 56.93 57.71 2dng s PHE 88 Cb -0.17 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 2dng s PHE 88 CO 0.11 0.60 0.98 0.22 -0.10 0.00 0.00 175.22 177.03 2dng h ASP 89 N 5.26 -0.30 -1.29 1.36 3.58 -1.84 -3.32 116.42 119.88 2dng h ASP 89 Ca -0.51 0.01 -0.47 0.00 0.42 0.00 0.00 57.03 56.48 2dng h ASP 89 Cb 1.21 0.08 0.04 0.00 1.72 0.00 0.00 39.33 42.38 2dng h ASP 89 CO 0.63 -0.19 -0.06 -1.61 -2.88 0.00 0.00 179.24 175.14 2dng s GLU 90 N -3.47 2.20 0.23 0.28 0.41 -1.26 -4.62 118.70 112.46 2dng s GLU 90 Ca -0.05 -1.43 0.14 0.00 -0.41 0.00 0.00 54.97 53.22 2dng s GLU 90 Cb 0.01 -2.57 -0.01 0.00 -1.78 0.00 0.00 34.13 29.78 2dng s GLU 90 CO 0.15 -0.96 1.35 -0.24 -0.49 0.00 0.00 175.26 175.08 2dng h VAL 91 N 0.03 0.99 -0.42 2.63 3.04 -1.98 -3.32 116.25 117.22 2dng h VAL 91 Ca -0.33 -2.43 0.00 0.00 -1.01 0.00 0.00 66.70 62.93 2dng h VAL 91 Cb 1.28 2.47 -0.02 0.00 -2.01 0.00 0.00 31.29 33.01 2dng h VAL 91 CO 0.41 0.56 0.27 -0.78 -1.01 0.00 0.00 177.57 177.03 2dng h ASP 92 N 0.00 0.49 0.18 3.17 3.58 -1.98 -1.01 116.42 120.84 2dng h ASP 92 Ca -0.02 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.41 2dng h ASP 92 Cb 1.48 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.37 2dng h ASP 92 CO 0.08 0.37 -0.48 0.28 -2.88 0.00 0.00 179.24 176.60 2dng h SER 93 N 0.56 -1.41 0.01 2.28 0.02 -1.96 -0.35 113.55 112.71 2dng h SER 93 Ca 0.15 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 2dng h SER 93 Cb -0.05 0.52 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2dng h SER 93 CO -0.03 -0.55 -0.14 0.25 -1.14 0.00 0.00 176.83 175.22 2dng h LEU 94 N -0.75 -0.42 -1.02 5.07 5.85 -1.68 -0.79 115.31 121.57 2dng h LEU 94 Ca -0.00 0.06 0.25 0.00 0.84 0.00 0.00 57.88 59.03 2dng h LEU 94 Cb 0.74 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 2dng h LEU 94 CO -0.24 -0.20 0.60 0.11 -0.34 0.00 0.00 178.44 178.37 2dng h LYS 95 N -0.25 0.56 -0.15 1.25 1.57 -0.89 0.62 116.57 119.27 2dng h LYS 95 Ca 0.05 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 2dng h LYS 95 Cb 0.30 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2dng h LYS 95 CO -0.13 0.37 -0.24 1.49 -0.57 0.00 0.00 179.45 180.36 2dng h GLU 96 N 0.57 0.43 -0.13 3.15 4.57 -0.28 -3.08 114.58 119.82 2dng h GLU 96 Ca 0.64 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 58.60 2dng h GLU 96 Cb 1.24 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2dng h GLU 96 CO -0.47 0.85 0.09 0.00 -1.18 0.00 0.00 179.01 178.30 2dng h ALA 97 N 0.58 2.11 0.00 2.92 0.00 0.46 -0.56 119.26 124.77 2dng h ALA 97 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dng h ALA 97 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dng h ALA 97 CO 0.06 -0.15 0.11 -0.07 0.00 0.00 0.00 179.25 179.20 2dng h LEU 98 N 0.01 0.00 -0.07 0.00 3.38 -0.94 0.22 115.31 117.90 2dng h LEU 98 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2dng h LEU 98 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2dng h LEU 98 CO -0.00 0.00 -0.35 0.71 0.09 0.00 0.00 178.44 178.89 2dng h THR 99 N 0.00 0.61 0.00 0.22 1.35 -1.24 -3.15 112.91 110.70 2dng h THR 99 Ca 0.00 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 2dng h THR 99 Cb 0.23 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2dng h THR 99 CO 0.00 0.34 0.00 -1.22 -0.25 0.00 0.00 175.52 174.39 2dng n TYR 100 N -3.20 0.08 -2.06 4.73 4.02 0.77 -4.48 117.16 117.02 2dng n TYR 100 Ca 0.02 0.04 -0.30 0.00 -0.01 0.00 0.00 57.90 57.65 2dng n TYR 100 Cb 0.66 -0.56 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 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 -3.12 5.21 0.00 7.72 -4.77 -1.19 -2.16 116.67 118.35 2dng s ASP 101 Ca 0.03 -0.39 0.00 0.00 -3.30 0.00 0.00 52.55 48.89 2dng s ASP 101 Cb 0.05 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 2dng s ASP 101 CO 0.13 -2.61 0.00 0.61 0.70 0.00 0.00 175.17 174.00 2dng n GLY 102 N 6.50 0.47 3.90 2.12 0.00 -1.26 -5.04 105.19 111.88 2dng n GLY 102 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.78 0.05 4.61 0.00 -0.92 -5.03 121.76 124.24 2dng s ALA 103 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2dng s ALA 103 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2dng s ALA 103 CO 0.00 0.34 0.16 -0.51 0.00 0.00 0.00 175.76 175.74 2dng s LEU 104 N -3.68 4.17 -0.72 0.00 1.43 -1.26 -2.70 118.68 115.92 2dng s LEU 104 Ca 0.33 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.55 2dng s LEU 104 Cb -0.09 -2.71 0.19 0.00 0.03 0.00 0.00 46.19 43.61 2dng s LEU 104 CO 0.27 0.20 0.59 -0.22 0.23 0.00 0.00 176.35 177.42 2dng s LEU 105 N -2.30 5.93 0.00 1.79 2.96 0.15 -4.86 118.68 122.35 2dng s LEU 105 Ca 0.31 -2.80 0.00 0.00 -0.22 0.00 0.00 54.13 51.42 2dng s LEU 105 Cb -0.13 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.55 2dng s LEU 105 CO 0.23 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 2dng n GLY 106 N 3.69 1.54 1.70 7.98 0.00 -1.26 -1.78 105.19 117.05 2dng n GLY 106 Ca 0.11 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 11.10 5.08 -2.17 1.61 -0.08 -1.26 -4.96 116.55 125.86 2dng n ASP 107 Ca 0.00 -2.57 -0.10 0.00 -1.51 0.00 0.00 54.79 50.61 2dng n ASP 107 Cb 0.00 -0.61 -0.04 0.00 2.34 0.00 0.00 41.12 42.81 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 1.03 0.23 -4.33 -0.67 5.12 -0.73 -5.13 116.66 112.18 2dng n ARG 108 Ca 0.27 -1.75 -0.24 0.00 -1.93 0.00 0.00 57.85 54.20 2dng n ARG 108 Cb 0.98 1.45 -0.08 0.00 -1.16 0.00 0.00 32.46 33.65 2dng n ARG 108 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dng s SER 109 N -2.23 4.26 0.02 0.55 0.15 -1.26 0.32 113.70 115.50 2dng s SER 109 Ca 0.21 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 56.06 2dng s SER 109 Cb 0.01 -0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 2dng s SER 109 CO 0.15 -0.10 -0.11 -0.76 1.20 0.00 0.00 173.24 173.62 2dng s LEU 110 N -3.67 2.97 -0.32 3.45 1.43 -1.10 -4.46 118.68 116.98 2dng s LEU 110 Ca 0.33 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2dng s LEU 110 Cb -0.04 -1.71 0.10 0.00 0.03 0.00 0.00 46.19 44.57 2dng s LEU 110 CO 0.19 0.27 0.10 -0.60 0.23 0.00 0.00 176.35 176.55 2dng s ARG 111 N -1.41 0.81 -0.16 1.70 6.06 -0.77 -4.50 118.95 120.67 2dng s ARG 111 Ca 0.16 -1.20 -0.05 0.00 -2.50 0.00 0.00 55.73 52.14 2dng s ARG 111 Cb -0.11 -2.10 -0.03 0.00 0.06 0.00 0.00 34.95 32.77 2dng s ARG 111 CO 0.07 -1.00 0.02 0.08 -2.50 0.00 0.00 175.30 171.97 2dng s VAL 112 N 1.47 4.41 -0.07 7.11 1.01 -1.26 -0.87 120.40 132.20 2dng s VAL 112 Ca 0.10 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 2dng s VAL 112 Cb -0.18 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.31 2dng s VAL 112 CO -0.22 0.49 0.61 -1.81 0.00 0.00 0.00 175.10 174.17 2dng s ASP 113 N 0.19 -0.58 -0.03 3.32 1.01 -0.78 -4.80 116.67 115.00 2dng s ASP 113 Ca 0.02 0.67 -0.30 0.00 0.71 0.00 0.00 52.55 53.65 2dng s ASP 113 Cb -0.13 0.59 -0.05 0.00 1.01 0.00 0.00 42.92 44.34 2dng s ASP 113 CO 0.01 -0.53 1.47 -0.63 0.21 0.00 0.00 175.17 175.70 2dng s ILE 114 N -1.03 3.70 -1.37 0.77 1.01 -1.26 -0.73 121.20 122.29 2dng s ILE 114 Ca -0.10 1.01 -0.16 0.00 0.00 0.00 0.00 60.65 61.40 2dng s ILE 114 Cb -0.01 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.86 2dng s ILE 114 CO 0.08 -0.04 1.97 0.00 0.00 0.00 0.00 174.94 176.96 2dng n ALA 115 N 6.02 4.48 -1.39 9.38 0.00 -1.25 -4.85 120.51 132.90 2dng n ALA 115 Ca 0.15 -3.86 -0.50 0.00 0.00 0.00 0.00 53.44 49.23 2dng n ALA 115 Cb 0.43 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.26 2dng n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dng n GLU 116 N 7.30 0.00 -2.66 0.00 1.02 -1.26 -4.92 120.64 120.13 2dng n GLU 116 Ca 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.60 2dng n GLU 116 Cb 0.43 -1.11 0.07 0.00 -0.02 0.00 0.00 31.44 30.80 2dng n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dng n GLY 117 N 1.80 -1.92 3.25 0.62 0.00 -1.26 -5.16 105.19 102.52 2dng n GLY 117 Ca 0.18 1.17 -0.31 0.00 0.00 0.00 0.00 46.02 47.06 2dng n GLY 117 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dng n ARG 118 N 1.76 -1.74 -4.22 1.61 -4.01 -1.26 -5.04 116.66 103.75 2dng n ARG 118 Ca 0.03 -0.49 -0.13 0.00 -1.04 0.00 0.00 57.85 56.22 2dng n ARG 118 Cb 0.70 -1.67 -0.10 0.00 -3.04 0.00 0.00 32.46 28.35 2dng n ARG 118 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 2dng s LYS 119 N -3.45 1.15 -0.96 2.89 -2.85 -1.26 -5.10 119.74 110.16 2dng s LYS 119 Ca 0.54 -1.58 -0.16 0.00 -1.00 0.00 0.00 55.97 53.77 2dng s LYS 119 Cb -0.11 -0.01 0.17 0.00 -2.06 0.00 0.00 37.83 35.82 2dng s LYS 119 CO 0.63 -0.26 1.08 -0.65 0.10 0.00 0.00 175.35 176.26 2dng s GLN 120 N -4.03 3.72 -0.05 1.78 -1.52 -1.26 -5.00 119.66 113.30 2dng s GLN 120 Ca 0.30 -2.17 0.05 0.00 -1.95 0.00 0.00 55.36 51.59 2dng s GLN 120 Cb 0.07 -4.79 -0.01 0.00 -0.22 0.00 0.00 33.01 28.06 2dng s GLN 120 CO 0.07 -1.61 -0.20 0.34 -0.25 0.00 0.00 175.29 173.64 2dng s ASP 121 N 2.97 2.54 0.40 5.90 -1.08 -1.26 -5.14 116.67 121.00 2dng s ASP 121 Ca 0.30 -0.42 0.08 0.00 -0.52 0.00 0.00 52.55 51.99 2dng s ASP 121 Cb -0.06 -0.72 -0.02 0.00 -1.46 0.00 0.00 42.92 40.66 2dng s ASP 121 CO -0.08 0.19 0.40 -1.59 0.52 0.00 0.00 175.17 174.61 2dng s LYS 122 N -0.03 2.63 -0.28 4.34 -2.85 -1.26 -5.11 119.74 117.17 2dng s LYS 122 Ca -0.04 -1.44 -0.02 0.00 -1.00 0.00 0.00 55.97 53.47 2dng s LYS 122 Cb -0.13 -2.47 0.09 0.00 -2.06 0.00 0.00 37.83 33.27 2dng s LYS 122 CO 0.03 -0.16 0.10 0.45 0.10 0.00 0.00 175.35 175.87 2dng s SER 123 N -4.15 3.69 -0.05 0.03 0.15 -1.26 -5.12 113.70 107.00 2dng s SER 123 Ca 0.48 -1.39 -0.12 0.00 0.70 0.00 0.00 55.95 55.62 2dng s SER 123 Cb -0.05 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.62 2dng s SER 123 CO 0.29 -0.40 0.27 -0.83 1.20 0.00 0.00 173.24 173.76 2dng s GLY 124 N 1.80 -0.14 0.94 9.45 0.00 -1.26 -5.16 107.32 112.95 2dng s GLY 124 Ca 0.08 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 45.10 2dng s GLY 124 CO -0.26 0.26 0.39 -1.05 0.00 0.00 0.00 173.10 172.44 2dng n PRO 125 N 1.93 -1.12 -0.03 2.90 -0.02 -1.26 -4.93 135.00 132.47 2dng n PRO 125 Ca -0.19 -0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 60.50 2dng n PRO 125 Cb 0.57 -1.41 -0.11 0.00 -0.02 0.00 0.00 33.50 32.53 2dng n PRO 125 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2dng h SER 126 N -2.75 -0.00 -4.00 2.55 0.02 -2.07 -3.48 113.55 103.82 2dng h SER 126 Ca -0.18 -0.66 0.10 0.00 -0.84 0.00 0.00 61.79 60.21 2dng h SER 126 Cb 0.60 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.91 2dng h SER 126 CO 0.11 0.66 0.59 -0.55 -1.14 0.00 0.00 176.83 176.50 2dng s SER 127 N -5.87 -0.33 0.00 3.07 0.15 -1.26 -5.32 113.70 104.14 2dng s SER 127 Ca -0.17 0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dng s SER 127 Cb -0.00 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2dng s SER 127 CO 0.68 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.42