#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 -3.02 0.01 1.61 2.88 -1.26 -5.01 113.62 108.83 2dng n SER 27 Ca 0.00 -0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 57.13 2dng n SER 27 Cb 0.00 -0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 62.63 2dng n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dng n SER 28 N -1.80 1.22 0.00 -3.46 2.88 -1.26 -5.08 113.62 106.12 2dng n SER 28 Ca 0.06 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2dng n SER 28 Cb 0.43 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2dng n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dng n GLY 29 N 2.97 4.08 3.92 0.46 0.00 -1.26 -5.11 105.19 110.25 2dng n GLY 29 Ca -0.03 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 2dng n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dng s SER 30 N 0.00 6.32 0.11 1.61 0.01 -1.26 -5.10 113.70 115.39 2dng s SER 30 Ca 0.00 0.65 -0.25 0.00 1.31 0.00 0.00 55.95 57.65 2dng s SER 30 Cb 0.00 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.18 2dng s SER 30 CO 0.00 -0.36 0.83 -0.44 0.41 0.00 0.00 173.24 173.68 2dng s SER 31 N -3.88 -0.33 0.00 2.44 0.01 -1.26 -5.08 113.70 105.61 2dng s SER 31 Ca 0.43 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2dng s SER 31 Cb -0.10 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2dng s SER 31 CO 0.37 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2dng n GLY 32 N -0.37 2.01 3.01 3.44 0.00 -1.26 -5.09 105.19 106.94 2dng n GLY 32 Ca -0.09 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 2dng n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dng n LYS 33 N 0.00 -0.02 -3.70 1.61 2.85 -1.26 -5.00 118.16 112.63 2dng n LYS 33 Ca 0.00 -0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2dng n LYS 33 Cb 0.00 -1.03 -0.13 0.00 -0.65 0.00 0.00 35.03 33.22 2dng n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2dng s GLU 34 N -2.05 0.20 0.86 -1.58 2.02 -1.26 -5.15 118.70 111.73 2dng s GLU 34 Ca 0.40 0.62 -0.14 0.00 0.02 0.00 0.00 54.97 55.87 2dng s GLU 34 Cb -0.13 -0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.03 2dng s GLU 34 CO 0.80 -0.20 0.51 1.28 0.02 0.00 0.00 175.26 177.66 2dng n LEU 35 N 4.60 0.52 -4.77 1.80 4.77 -1.26 -4.93 117.00 117.73 2dng n LEU 35 Ca -0.19 0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 2dng n LEU 35 Cb 0.52 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2dng n LEU 35 CO 0.10 -3.30 0.79 -2.16 -1.33 0.00 0.00 177.39 171.49 2dng s PRO 36 N -3.36 3.50 -0.16 3.23 0.04 -1.26 -4.98 135.00 132.00 2dng s PRO 36 Ca 0.61 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.38 2dng s PRO 36 Cb -0.27 -2.11 -0.23 0.00 0.04 0.00 0.00 34.50 31.93 2dng s PRO 36 CO 0.63 -0.74 0.20 0.25 0.04 0.00 0.00 177.00 177.38 2dng n THR 37 N -1.06 1.53 -3.76 1.26 -2.24 -1.26 -5.00 114.28 103.74 2dng n THR 37 Ca 0.10 -0.75 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2dng n THR 37 Cb 0.50 -1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 2dng n THR 37 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2dng s GLU 38 N -2.53 0.73 1.04 -0.78 -1.05 -1.26 -5.17 118.70 109.68 2dng s GLU 38 Ca -0.16 -0.33 -0.13 0.00 -0.15 0.00 0.00 54.97 54.20 2dng s GLU 38 Cb 0.07 0.32 0.21 0.00 -0.44 0.00 0.00 34.13 34.30 2dng s GLU 38 CO 0.77 -0.22 1.08 -1.25 0.95 0.00 0.00 175.26 176.59 2dng s PRO 39 N -1.88 0.05 0.57 -4.83 0.04 -1.26 -4.65 135.00 123.04 2dng s PRO 39 Ca -0.10 0.58 -0.18 0.00 0.04 0.00 0.00 61.00 61.33 2dng s PRO 39 Cb -0.03 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 2dng s PRO 39 CO 0.01 -3.00 1.12 -1.25 0.04 0.00 0.00 177.00 173.92 2dng s PRO 40 N -4.85 3.24 -0.50 0.56 0.04 -1.26 -5.11 135.00 127.13 2dng s PRO 40 Ca 0.66 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 2dng s PRO 40 Cb -0.20 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2dng s PRO 40 CO 0.59 -0.93 0.74 0.71 0.04 0.00 0.00 177.00 178.15 2dng s TYR 41 N -1.90 2.97 -0.08 0.56 2.02 -1.25 -5.03 117.35 114.64 2dng s TYR 41 Ca 0.71 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 57.19 2dng s TYR 41 Cb -0.23 -3.66 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 2dng s TYR 41 CO 0.30 -1.08 0.07 0.99 -1.57 0.00 0.00 175.55 174.26 2dng s THR 42 N 3.13 4.86 0.07 -0.71 2.01 -1.26 -0.85 115.64 122.89 2dng s THR 42 Ca 0.23 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2dng s THR 42 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 2dng s THR 42 CO 0.17 0.55 -0.17 0.00 -0.69 0.00 0.00 174.62 174.48 2dng s ALA 43 N -1.01 1.43 -0.18 7.40 0.00 0.43 -3.45 121.76 126.38 2dng s ALA 43 Ca 0.16 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2dng s ALA 43 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2dng s ALA 43 CO 0.06 0.26 -0.00 -0.47 0.00 0.00 0.00 175.76 175.61 2dng s TYR 44 N -1.10 3.07 -0.15 0.00 6.14 -0.36 -0.34 117.35 124.62 2dng s TYR 44 Ca 0.02 -0.28 -0.01 0.00 0.64 0.00 0.00 57.07 57.44 2dng s TYR 44 Cb -0.09 -2.03 0.04 0.00 0.42 0.00 0.00 41.96 40.30 2dng s TYR 44 CO 0.03 -0.07 -0.04 0.08 0.64 0.00 0.00 175.55 176.18 2dng s VAL 45 N 0.59 0.95 0.52 3.14 1.01 -0.65 -1.44 120.40 124.52 2dng s VAL 45 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2dng s VAL 45 Cb -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2dng s VAL 45 CO 0.02 0.15 0.08 0.61 0.00 0.00 0.00 175.10 175.97 2dng n GLY 46 N 4.94 3.40 2.37 4.51 0.00 -0.24 -2.08 105.19 118.08 2dng n GLY 46 Ca -0.11 -2.36 -0.10 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.41 -3.74 -4.91 1.61 5.15 -1.19 -3.02 115.26 107.74 2dng n ASN 47 Ca -0.17 -0.23 -0.29 0.00 -0.60 0.00 0.00 54.58 53.28 2dng n ASN 47 Cb 0.64 -2.43 -0.04 0.00 -0.53 0.00 0.00 39.78 37.43 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 -3.70 4.21 1.03 1.20 1.43 -1.17 -4.70 118.68 116.99 2dng s LEU 48 Ca 0.23 0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 53.66 2dng s LEU 48 Cb -0.10 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 2dng s LEU 48 CO 0.31 -0.03 -0.36 -2.65 0.23 0.00 0.00 176.35 173.85 2dng n PRO 49 N -0.44 -0.69 -0.24 1.29 -0.02 -1.26 -4.87 135.00 128.77 2dng n PRO 49 Ca -0.03 -0.19 -0.05 0.00 -2.02 0.00 0.00 63.50 61.21 2dng n PRO 49 Cb 0.53 -1.48 0.05 0.00 -0.02 0.00 0.00 33.50 32.58 2dng n PRO 49 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2dng h PHE 50 N -1.55 0.84 -3.20 6.00 3.57 -1.97 -3.30 116.94 117.32 2dng h PHE 50 Ca -0.47 0.02 -0.68 0.00 3.53 0.00 0.00 57.97 60.38 2dng h PHE 50 Cb 1.34 -0.28 -0.38 0.00 2.79 0.00 0.00 35.95 39.42 2dng h PHE 50 CO 0.19 0.54 -0.25 0.09 -2.23 0.00 0.00 178.31 176.65 2dng n ASN 51 N -4.61 3.84 -4.55 0.41 4.13 -1.26 -4.68 115.26 108.54 2dng n ASN 51 Ca 0.06 -3.17 -0.37 0.00 1.68 0.00 0.00 54.58 52.77 2dng n ASN 51 Cb 0.02 -0.95 -0.11 0.00 -1.54 0.00 0.00 39.78 37.20 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 -1.47 5.00 0.15 3.41 2.01 -1.25 -5.08 115.64 118.41 2dng s THR 52 Ca 0.27 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.39 2dng s THR 52 Cb -0.05 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2dng s THR 52 CO -0.14 0.28 0.05 0.68 -0.69 0.00 0.00 174.62 174.80 2dng s VAL 53 N 1.69 4.07 0.24 3.82 -7.23 -1.26 -5.01 120.40 116.73 2dng s VAL 53 Ca 0.07 -1.18 -0.06 0.00 -1.81 0.00 0.00 61.98 59.00 2dng s VAL 53 Cb -0.16 -3.03 0.38 0.00 0.56 0.00 0.00 36.38 34.14 2dng s VAL 53 CO 0.09 -0.04 1.31 1.67 -0.31 0.00 0.00 175.10 177.81 2dng n GLN 54 N 0.00 -0.07 -0.14 4.82 7.27 -1.26 -0.66 117.38 127.34 2dng n GLN 54 Ca -0.09 1.30 -0.10 0.00 0.07 0.00 0.00 57.00 58.18 2dng n GLN 54 Cb 0.54 -1.95 -0.07 0.00 2.41 0.00 0.00 30.24 31.16 2dng n GLN 54 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2dng h GLY 55 N 0.00 -1.28 -0.75 1.69 0.00 -1.99 -1.26 103.07 99.48 2dng h GLY 55 Ca 0.41 0.78 0.11 0.00 0.00 0.00 0.00 47.33 48.63 2dng h GLY 55 CO -0.86 -0.28 -0.30 1.34 0.00 0.00 0.00 176.54 176.44 2dng n ASP 56 N -4.65 -0.51 -0.01 0.19 -0.08 0.16 0.89 116.55 112.54 2dng n ASP 56 Ca -0.02 1.31 -0.10 0.00 -1.51 0.00 0.00 54.79 54.48 2dng n ASP 56 Cb 0.24 -0.29 -0.04 0.00 2.34 0.00 0.00 41.12 43.36 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2dng h ILE 57 N 0.00 0.85 -1.05 5.18 1.08 -1.28 -1.59 117.51 120.70 2dng h ILE 57 Ca 0.25 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.99 2dng h ILE 57 Cb 0.44 0.85 -0.10 0.00 -3.07 0.00 0.00 36.82 34.94 2dng h ILE 57 CO -0.74 0.00 0.66 -0.78 -0.69 0.00 0.00 178.15 176.60 2dng h ASP 58 N -0.01 0.48 -0.07 1.72 1.82 0.13 0.15 116.42 120.64 2dng h ASP 58 Ca 0.06 0.10 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 2dng h ASP 58 Cb 0.11 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2dng h ASP 58 CO -0.14 0.07 -0.29 0.00 -1.61 0.00 0.00 179.24 177.27 2dng h ALA 59 N 1.64 0.13 -0.84 -0.78 0.00 -0.41 0.63 119.26 119.63 2dng h ALA 59 Ca 0.62 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dng h ALA 59 Cb 1.51 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2dng h ALA 59 CO -0.34 0.16 0.56 0.82 0.00 0.00 0.00 179.25 180.45 2dng h ILE 60 N -0.17 1.22 -0.29 0.00 2.04 -0.06 -2.72 117.51 117.53 2dng h ILE 60 Ca -0.02 -0.39 -0.19 0.00 1.00 0.00 0.00 64.86 65.26 2dng h ILE 60 Cb 0.94 -0.03 -0.13 0.00 -0.74 0.00 0.00 36.82 36.86 2dng h ILE 60 CO 0.06 0.21 -0.38 0.49 0.00 0.00 0.00 178.15 178.53 2dng n PHE 61 N -4.41 0.99 -0.01 1.37 3.72 0.32 -4.77 117.46 114.67 2dng n PHE 61 Ca 0.10 -1.73 -0.11 0.00 -0.05 0.00 0.00 57.45 55.66 2dng n PHE 61 Cb 0.02 -0.39 -0.05 0.00 -0.94 0.00 0.00 39.48 38.13 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 1.26 0.15 -1.02 -1.08 2.10 0.62 -2.41 116.57 116.19 2dng h LYS 62 Ca 0.16 -0.01 0.29 0.00 -2.00 0.00 0.00 60.65 59.10 2dng h LYS 62 Cb 1.31 -0.03 -0.13 0.00 -0.90 0.00 0.00 32.23 32.47 2dng h LYS 62 CO 0.33 0.10 0.60 -0.44 -2.00 0.00 0.00 179.45 178.03 2dng h ASP 63 N 0.15 0.56 -3.21 7.07 3.32 -1.82 -3.41 116.42 119.09 2dng h ASP 63 Ca 0.05 0.16 -0.46 0.00 0.02 0.00 0.00 57.03 56.80 2dng h ASP 63 Cb -0.01 0.09 0.13 0.00 0.22 0.00 0.00 39.33 39.76 2dng h ASP 63 CO -0.02 -0.03 0.29 -0.76 -1.72 0.00 0.00 179.24 177.00 2dng s LEU 64 N -10.29 2.83 -0.35 1.55 1.43 -0.91 -5.06 118.68 107.88 2dng s LEU 64 Ca -0.10 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 2dng s LEU 64 Cb 0.29 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2dng s LEU 64 CO 0.79 -2.36 0.13 -0.44 0.23 0.00 0.00 176.35 174.70 2dng s SER 65 N -4.83 5.35 -0.31 2.29 0.01 -1.26 -5.01 113.70 109.94 2dng s SER 65 Ca 0.71 -1.25 -0.19 0.00 1.31 0.00 0.00 55.95 56.53 2dng s SER 65 Cb -0.04 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 2dng s SER 65 CO 0.49 -0.37 0.55 -0.63 0.41 0.00 0.00 173.24 173.69 2dng s ILE 66 N 1.39 5.01 0.07 1.44 1.01 -1.26 -2.70 121.20 126.16 2dng s ILE 66 Ca -0.01 0.65 -0.15 0.00 0.00 0.00 0.00 60.65 61.15 2dng s ILE 66 Cb -0.20 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 38.16 2dng s ILE 66 CO 0.02 -0.10 1.26 -0.09 0.00 0.00 0.00 174.94 176.03 2dng h ARG 67 N 8.25 0.67 -2.63 2.79 2.43 -1.21 -3.47 114.38 121.21 2dng h ARG 67 Ca -0.28 -0.57 0.10 0.00 -0.81 0.00 0.00 59.98 58.43 2dng h ARG 67 Cb 1.13 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.71 2dng h ARG 67 CO 0.76 1.18 0.37 -1.54 -1.51 0.00 0.00 179.97 179.23 2dng s SER 68 N -6.94 -0.29 -0.06 -3.80 1.04 -1.14 -5.02 113.70 97.49 2dng s SER 68 Ca -0.11 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 2dng s SER 68 Cb 0.07 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2dng s SER 68 CO 0.87 -1.01 0.12 -0.69 0.98 0.00 0.00 173.24 173.52 2dng s VAL 69 N -3.52 -0.13 -0.25 5.02 1.01 -1.26 0.07 120.40 121.33 2dng s VAL 69 Ca 0.09 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 2dng s VAL 69 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2dng s VAL 69 CO -0.00 0.12 -0.00 -0.13 0.00 0.00 0.00 175.10 175.08 2dng s ARG 70 N 1.68 3.18 -0.19 2.72 1.81 -0.17 -5.01 118.95 122.97 2dng s ARG 70 Ca -0.03 -0.77 -0.10 0.00 -1.72 0.00 0.00 55.73 53.11 2dng s ARG 70 Cb -0.12 -3.13 -0.05 0.00 -0.45 0.00 0.00 34.95 31.20 2dng s ARG 70 CO -0.05 -0.32 0.13 -0.51 -0.68 0.00 0.00 175.30 173.87 2dng s LEU 71 N 1.46 4.23 -0.43 2.53 1.43 -1.26 -1.39 118.68 125.24 2dng s LEU 71 Ca 0.03 0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 2dng s LEU 71 Cb -0.16 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2dng s LEU 71 CO -0.01 0.20 0.88 -0.69 0.23 0.00 0.00 176.35 176.96 2dng s VAL 72 N 0.20 4.55 0.50 -1.59 1.01 -1.24 -5.03 120.40 118.81 2dng s VAL 72 Ca 0.09 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.90 2dng s VAL 72 Cb -0.11 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 31.94 2dng s VAL 72 CO -0.01 -0.72 0.69 -0.13 0.00 0.00 0.00 175.10 174.93 2dng s ARG 73 N 3.55 2.57 0.69 2.72 0.52 -1.26 -2.10 118.95 125.64 2dng s ARG 73 Ca 0.35 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 2dng s ARG 73 Cb -0.11 -2.64 0.14 0.00 0.52 0.00 0.00 34.95 32.86 2dng s ARG 73 CO 0.23 -0.58 0.94 -0.25 0.02 0.00 0.00 175.30 175.67 2dng n ASP 74 N -2.12 0.84 -0.08 0.23 8.00 -1.02 -4.80 116.55 117.61 2dng n ASP 74 Ca 0.10 -1.81 -0.11 0.00 0.71 0.00 0.00 54.79 53.67 2dng n ASP 74 Cb 0.60 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 2dng n ASP 74 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2dng n LYS 75 N -2.83 0.43 0.00 -1.24 3.00 -1.26 -4.06 118.16 112.20 2dng n LYS 75 Ca 0.14 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2dng n LYS 75 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 -2.98 0.00 0.17 3.14 9.92 -1.26 -4.42 116.55 121.12 2dng n ASP 76 Ca -0.29 0.39 0.03 0.00 -0.53 0.00 0.00 54.79 54.39 2dng n ASP 76 Cb 0.81 -0.46 0.28 0.00 -0.64 0.00 0.00 41.12 41.11 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2dng h THR 77 N 0.00 1.10 -3.57 -3.53 1.35 -2.02 -3.47 112.91 102.78 2dng h THR 77 Ca 0.00 -1.73 -0.34 0.00 -0.55 0.00 0.00 66.41 63.80 2dng h THR 77 Cb 0.00 1.99 0.04 0.00 -1.73 0.00 0.00 68.15 68.46 2dng h THR 77 CO 0.00 0.45 -0.49 0.47 -0.25 0.00 0.00 175.52 175.70 2dng n ASP 78 N -3.66 -5.32 -4.75 5.36 8.00 -1.26 -4.96 116.55 109.97 2dng n ASP 78 Ca -0.01 -0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.07 2dng n ASP 78 Cb 0.54 -4.20 -0.06 0.00 -0.02 0.00 0.00 41.12 37.39 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dng s LYS 79 N -5.40 2.62 -0.16 -1.24 -0.14 -1.26 -4.53 119.74 109.63 2dng s LYS 79 Ca 0.21 -1.25 -0.40 0.00 -1.36 0.00 0.00 55.97 53.18 2dng s LYS 79 Cb -0.09 -2.37 -0.17 0.00 -1.68 0.00 0.00 37.83 33.52 2dng s LYS 79 CO 0.26 0.35 1.55 0.34 -0.76 0.00 0.00 175.35 177.09 2dng n PHE 80 N -1.07 1.75 0.00 3.18 7.35 -1.26 -2.42 117.46 124.98 2dng n PHE 80 Ca -0.07 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 2dng n PHE 80 Cb 0.59 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 38.05 2dng n PHE 80 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2dng n LYS 81 N 4.03 0.00 0.00 -4.13 4.76 -0.89 -4.91 118.16 117.02 2dng n LYS 81 Ca 0.24 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 2dng n LYS 81 Cb 0.13 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2dng n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dng n GLY 82 N 0.38 0.08 3.15 0.72 0.00 -1.26 -5.07 105.19 103.19 2dng n GLY 82 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 1.20 0.17 1.61 -0.71 -1.26 -3.02 117.98 115.96 2dng s PHE 83 Ca 0.00 -0.39 -0.05 0.00 -1.04 0.00 0.00 56.93 55.45 2dng s PHE 83 Cb 0.00 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 2dng s PHE 83 CO 0.00 0.04 0.19 0.00 -1.34 0.00 0.00 175.22 174.11 2dng s TYR 85 N -4.04 2.84 -0.13 0.00 1.51 -0.48 -1.64 117.35 115.41 2dng s TYR 85 Ca 0.24 -0.74 -0.05 0.00 -1.01 0.00 0.00 57.07 55.51 2dng s TYR 85 Cb 0.05 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 2dng s TYR 85 CO 0.04 -0.30 0.07 0.08 -1.11 0.00 0.00 175.55 174.33 2dng s VAL 86 N 0.59 4.85 -0.20 0.71 1.01 0.54 -1.00 120.40 126.91 2dng s VAL 86 Ca -0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2dng s VAL 86 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2dng s VAL 86 CO 0.03 0.57 0.10 -0.70 0.00 0.00 0.00 175.10 175.10 2dng s GLU 87 N -0.56 4.02 0.16 2.72 2.56 0.11 -0.43 118.70 127.28 2dng s GLU 87 Ca 0.11 -0.31 0.05 0.00 0.00 0.00 0.00 54.97 54.82 2dng s GLU 87 Cb -0.12 -3.35 -0.04 0.00 2.00 0.00 0.00 34.13 32.63 2dng s GLU 87 CO 0.02 0.20 0.11 -0.06 -0.56 0.00 0.00 175.26 174.96 2dng s PHE 88 N 0.62 3.10 -0.12 5.30 0.08 -0.03 -0.76 117.98 126.18 2dng s PHE 88 Ca 0.05 -0.03 -0.25 0.00 0.12 0.00 0.00 56.93 56.83 2dng s PHE 88 Cb -0.13 -1.50 -0.27 0.00 -0.57 0.00 0.00 43.02 40.56 2dng s PHE 88 CO 0.01 0.52 0.71 0.38 -0.10 0.00 0.00 175.22 176.74 2dng h ASP 89 N 2.55 0.16 -2.59 1.36 2.03 -1.81 -3.33 116.42 114.79 2dng h ASP 89 Ca -0.47 -0.91 -0.62 0.00 -0.73 0.00 0.00 57.03 54.29 2dng h ASP 89 Cb 1.20 -0.05 -0.15 0.00 -0.83 0.00 0.00 39.33 39.49 2dng h ASP 89 CO 0.62 1.23 -0.77 -1.61 -1.03 0.00 0.00 179.24 177.69 2dng s GLU 90 N -2.32 1.71 0.42 4.15 2.02 -1.26 -4.82 118.70 118.59 2dng s GLU 90 Ca -0.19 -1.62 0.08 0.00 0.02 0.00 0.00 54.97 53.26 2dng s GLU 90 Cb -0.00 -1.86 0.89 0.00 0.10 0.00 0.00 34.13 33.26 2dng s GLU 90 CO 0.72 0.36 2.04 -0.24 0.02 0.00 0.00 175.26 178.17 2dng h VAL 91 N 2.58 1.11 -0.22 2.63 3.04 -1.97 -2.85 116.25 120.56 2dng h VAL 91 Ca -0.43 -0.29 0.06 0.00 -1.01 0.00 0.00 66.70 65.03 2dng h VAL 91 Cb 1.24 0.70 -0.07 0.00 -2.01 0.00 0.00 31.29 31.15 2dng h VAL 91 CO 0.56 0.12 -0.28 -2.24 -1.01 0.00 0.00 177.57 174.71 2dng h ASP 92 N 0.43 -0.90 -0.24 3.17 2.03 -1.98 0.20 116.42 119.13 2dng h ASP 92 Ca 0.11 0.15 0.05 0.00 -0.73 0.00 0.00 57.03 56.61 2dng h ASP 92 Cb 0.04 0.41 -0.07 0.00 -0.83 0.00 0.00 39.33 38.87 2dng h ASP 92 CO -0.02 -0.31 -0.47 0.28 -1.03 0.00 0.00 179.24 177.69 2dng h SER 93 N -0.30 -1.51 0.43 4.15 0.02 -1.89 0.57 113.55 115.01 2dng h SER 93 Ca 0.13 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2dng h SER 93 Cb 0.50 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2dng h SER 93 CO -0.40 -0.42 -0.34 0.25 -1.14 0.00 0.00 176.83 174.78 2dng h LEU 94 N -0.46 -0.89 -1.27 5.07 5.85 -1.52 0.24 115.31 122.33 2dng h LEU 94 Ca 0.08 0.07 0.33 0.00 0.84 0.00 0.00 57.88 59.20 2dng h LEU 94 Cb 0.63 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.82 2dng h LEU 94 CO -0.48 -0.50 0.69 0.11 -0.34 0.00 0.00 178.44 177.92 2dng h LYS 95 N -0.77 0.29 0.17 1.25 1.57 -0.19 0.41 116.57 119.31 2dng h LYS 95 Ca -0.04 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 2dng h LYS 95 Cb 0.66 -0.07 0.03 0.00 0.08 0.00 0.00 32.23 32.93 2dng h LYS 95 CO -0.01 0.19 -1.34 1.49 -0.57 0.00 0.00 179.45 179.22 2dng h GLU 96 N 0.30 0.57 0.00 3.15 4.81 -0.20 -3.23 114.58 119.98 2dng h GLU 96 Ca 0.70 -0.85 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2dng h GLU 96 Cb 1.83 0.30 -0.00 0.00 0.63 0.00 0.00 28.75 31.51 2dng h GLU 96 CO -0.42 1.39 -0.05 0.00 -0.73 0.00 0.00 179.01 179.21 2dng h ALA 97 N 0.26 1.06 0.00 2.92 0.00 0.30 -1.98 119.26 121.82 2dng h ALA 97 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dng h ALA 97 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2dng h ALA 97 CO 0.25 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.50 2dng h LEU 98 N 0.00 0.00 -0.01 0.00 3.38 -0.51 -2.23 115.31 115.94 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 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2dng h LEU 98 CO 0.01 0.00 -0.05 0.35 0.09 0.00 0.00 178.44 178.83 2dng n THR 99 N -2.35 0.00 1.16 0.22 -2.24 -0.74 -3.20 114.28 107.13 2dng n THR 99 Ca 0.02 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 2dng n THR 99 Cb 0.24 -0.41 0.62 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.43 0.00 -2.35 4.78 4.02 -0.84 -4.69 117.16 116.64 2dng n TYR 100 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.56 2dng n TYR 100 Cb 0.32 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 2dng n TYR 100 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2dng s ASP 101 N -2.61 6.10 0.00 7.72 2.15 -1.19 -2.78 116.67 126.06 2dng s ASP 101 Ca 0.23 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.60 2dng s ASP 101 Cb 0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2dng s ASP 101 CO 0.39 -1.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.29 2dng n GLY 102 N 5.27 1.72 3.88 2.66 0.00 -1.26 -5.00 105.19 112.45 2dng n GLY 102 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.48 3.35 -0.09 4.61 0.00 -1.12 -4.94 121.76 122.10 2dng s ALA 103 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 2dng s ALA 103 Cb 0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 2dng s ALA 103 CO 0.00 -0.08 0.28 -0.51 0.00 0.00 0.00 175.76 175.46 2dng s LEU 104 N -4.01 4.38 -0.53 0.00 1.43 -1.26 -2.46 118.68 116.23 2dng s LEU 104 Ca 0.51 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 2dng s LEU 104 Cb -0.10 -2.35 0.14 0.00 0.03 0.00 0.00 46.19 43.90 2dng s LEU 104 CO 0.34 0.29 0.33 -0.22 0.23 0.00 0.00 176.35 177.32 2dng s LEU 105 N -0.60 5.25 0.00 1.79 2.96 0.27 -4.93 118.68 123.42 2dng s LEU 105 Ca 0.19 -2.47 0.00 0.00 -0.22 0.00 0.00 54.13 51.63 2dng s LEU 105 Cb -0.14 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.70 2dng s LEU 105 CO 0.07 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.26 2dng n GLY 106 N 4.01 2.70 1.61 7.98 0.00 -1.26 -1.88 105.19 118.34 2dng n GLY 106 Ca 0.03 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 9.82 4.78 -3.61 1.61 5.68 -1.26 -4.95 116.55 128.62 2dng n ASP 107 Ca 0.00 -2.41 -0.16 0.00 -0.50 0.00 0.00 54.79 51.72 2dng n ASP 107 Cb 0.00 -0.58 -0.08 0.00 -1.14 0.00 0.00 41.12 39.32 2dng n ASP 107 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dng s ARG 108 N -1.78 1.62 0.58 0.11 1.70 -0.79 -5.18 118.95 115.21 2dng s ARG 108 Ca 0.52 -1.80 0.10 0.00 -0.47 0.00 0.00 55.73 54.08 2dng s ARG 108 Cb 0.33 0.35 0.09 0.00 -0.57 0.00 0.00 34.95 35.15 2dng s ARG 108 CO 0.26 -0.61 0.79 0.45 -1.08 0.00 0.00 175.30 175.11 2dng s SER 109 N -3.26 5.07 0.06 -2.89 0.15 -1.26 0.95 113.70 112.53 2dng s SER 109 Ca 0.37 -0.87 0.08 0.00 0.70 0.00 0.00 55.95 56.22 2dng s SER 109 Cb 0.03 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2dng s SER 109 CO 0.20 -1.35 -0.22 -0.76 1.20 0.00 0.00 173.24 172.31 2dng s LEU 110 N -4.67 2.20 -0.28 3.45 1.43 -1.03 -4.47 118.68 115.31 2dng s LEU 110 Ca 0.61 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2dng s LEU 110 Cb -0.05 -1.00 0.09 0.00 0.03 0.00 0.00 46.19 45.26 2dng s LEU 110 CO 0.39 0.15 0.08 -0.60 0.23 0.00 0.00 176.35 176.60 2dng s ARG 111 N -1.37 0.70 -0.27 1.70 6.06 -1.17 -4.07 118.95 120.53 2dng s ARG 111 Ca 0.08 -0.88 -0.02 0.00 -2.50 0.00 0.00 55.73 52.41 2dng s ARG 111 Cb -0.09 -1.97 0.03 0.00 0.06 0.00 0.00 34.95 32.98 2dng s ARG 111 CO 0.02 -0.90 -0.04 0.08 -2.50 0.00 0.00 175.30 171.97 2dng s VAL 112 N 1.70 2.94 0.15 7.11 1.01 -1.26 -1.08 120.40 130.97 2dng s VAL 112 Ca 0.07 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 60.97 2dng s VAL 112 Cb -0.17 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2dng s VAL 112 CO -0.22 0.10 -0.13 -1.81 0.00 0.00 0.00 175.10 173.04 2dng s ASP 113 N 1.31 2.09 0.02 3.32 1.01 -0.52 -4.70 116.67 119.20 2dng s ASP 113 Ca -0.02 -0.91 -0.30 0.00 0.71 0.00 0.00 52.55 52.03 2dng s ASP 113 Cb -0.18 -0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.63 2dng s ASP 113 CO -0.03 -0.20 1.28 -0.63 0.21 0.00 0.00 175.17 175.80 2dng s ILE 114 N -2.64 3.90 -0.51 0.77 1.01 -1.26 -1.22 121.20 121.24 2dng s ILE 114 Ca 0.14 1.32 -0.26 0.00 0.00 0.00 0.00 60.65 61.85 2dng s ILE 114 Cb -0.02 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 2dng s ILE 114 CO 0.03 0.05 2.43 0.00 0.00 0.00 0.00 174.94 177.45 2dng n ALA 115 N 4.61 0.76 -2.58 9.38 0.00 -1.22 -4.83 120.51 126.62 2dng n ALA 115 Ca 0.11 -0.92 -0.39 0.00 0.00 0.00 0.00 53.44 52.24 2dng n ALA 115 Cb 0.45 -3.18 -0.05 0.00 0.00 0.00 0.00 19.45 16.67 2dng n ALA 115 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2dng s GLU 116 N 8.32 4.38 -0.23 0.00 2.56 -1.26 -4.97 118.70 127.50 2dng s GLU 116 Ca 1.00 0.77 -0.30 0.00 0.00 0.00 0.00 54.97 56.44 2dng s GLU 116 Cb -0.22 -3.39 -0.07 0.00 2.00 0.00 0.00 34.13 32.45 2dng s GLU 116 CO 0.27 0.23 2.21 0.41 -0.56 0.00 0.00 175.26 177.82 2dng n GLY 117 N 2.77 0.96 3.55 -1.50 0.00 -1.26 -4.85 105.19 104.85 2dng n GLY 117 Ca -0.05 0.81 -0.37 0.00 0.00 0.00 0.00 46.02 46.41 2dng n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dng s ARG 118 N 6.23 2.37 -0.07 1.61 3.00 -1.26 -4.93 118.95 125.89 2dng s ARG 118 Ca 1.02 1.13 -0.27 0.00 -1.00 0.00 0.00 55.73 56.60 2dng s ARG 118 Cb -0.45 -4.49 -0.02 0.00 0.00 0.00 0.00 34.95 29.99 2dng s ARG 118 CO 0.38 -2.99 0.89 0.15 0.00 0.00 0.00 175.30 173.73 2dng s LYS 119 N 7.66 4.45 -0.02 5.12 -0.14 -1.26 -5.04 119.74 130.51 2dng s LYS 119 Ca 0.86 1.20 -0.20 0.00 -1.36 0.00 0.00 55.97 56.47 2dng s LYS 119 Cb -0.16 -3.50 0.04 0.00 -1.68 0.00 0.00 37.83 32.53 2dng s LYS 119 CO 0.24 -0.14 0.42 -1.14 -0.76 0.00 0.00 175.35 173.98 2dng s GLN 120 N 1.42 0.80 0.16 1.68 2.00 -1.26 -5.17 119.66 119.29 2dng s GLN 120 Ca 0.45 -0.09 0.06 0.00 -2.00 0.00 0.00 55.36 53.79 2dng s GLN 120 Cb -0.19 0.36 -0.04 0.00 0.80 0.00 0.00 33.01 33.95 2dng s GLN 120 CO 0.20 -0.24 0.03 0.16 -0.50 0.00 0.00 175.29 174.95 2dng s ASP 121 N -1.36 4.99 0.05 6.67 -4.77 -1.26 -5.14 116.67 115.86 2dng s ASP 121 Ca -0.12 -0.30 -0.06 0.00 -3.30 0.00 0.00 52.55 48.77 2dng s ASP 121 Cb -0.03 -1.15 -0.01 0.00 -1.09 0.00 0.00 42.92 40.64 2dng s ASP 121 CO 0.05 0.09 0.10 -1.59 0.70 0.00 0.00 175.17 174.52 2dng s LYS 122 N -2.91 0.65 0.48 2.11 0.00 -1.26 -5.15 119.74 113.67 2dng s LYS 122 Ca 0.28 -0.87 -0.23 0.00 0.00 0.00 0.00 55.97 55.15 2dng s LYS 122 Cb -0.10 0.25 -0.07 0.00 0.00 0.00 0.00 37.83 37.92 2dng s LYS 122 CO 0.20 -0.17 1.23 -1.54 0.00 0.00 0.00 175.35 175.07 2dng s SER 123 N -2.42 5.89 0.00 0.03 1.04 -1.26 -4.97 113.70 112.02 2dng s SER 123 Ca -0.01 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2dng s SER 123 Cb 0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2dng s SER 123 CO -0.07 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.64 2dng n GLY 124 N 0.54 -1.82 3.49 7.32 0.00 -1.26 -5.16 105.19 108.31 2dng n GLY 124 Ca 0.08 0.85 -0.38 0.00 0.00 0.00 0.00 46.02 46.56 2dng n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dng n PRO 125 N 0.00 0.59 -1.49 1.61 -0.02 -1.26 -4.81 135.00 129.62 2dng n PRO 125 Ca 0.00 0.23 -0.48 0.00 -2.02 0.00 0.00 63.50 61.23 2dng n PRO 125 Cb 0.00 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2dng n PRO 125 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dng n SER 126 N 0.43 0.02 0.13 2.55 2.88 -1.26 -4.87 113.62 113.50 2dng n SER 126 Ca 0.12 1.15 -0.16 0.00 -1.33 0.00 0.00 58.87 58.64 2dng n SER 126 Cb 0.46 -1.08 -0.10 0.00 -0.75 0.00 0.00 64.21 62.74 2dng n SER 126 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dng h SER 127 N 1.89 -1.56 0.00 -3.46 0.02 -2.07 -3.57 113.55 104.80 2dng h SER 127 Ca -0.36 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2dng h SER 127 Cb 1.40 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.51 2dng h SER 127 CO 0.61 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.35