#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 0.54 -4.38 1.61 7.64 -1.26 -4.83 113.62 112.94 2dng n SER 27 Ca 0.00 0.46 -0.45 0.00 1.01 0.00 0.00 58.87 59.90 2dng n SER 27 Cb 0.00 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 2dng n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dng s SER 28 N 6.27 6.19 0.84 6.43 0.15 -1.26 -4.97 113.70 127.34 2dng s SER 28 Ca 1.12 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2dng s SER 28 Cb -1.28 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 60.76 2dng s SER 28 CO 0.54 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2dng n GLY 29 N 5.26 0.20 3.40 9.45 0.00 -1.26 -4.97 105.19 117.26 2dng n GLY 29 Ca -0.10 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2dng n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dng s SER 30 N -4.00 0.73 0.02 1.61 1.04 -1.26 -5.01 113.70 106.82 2dng s SER 30 Ca 0.00 -1.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.00 2dng s SER 30 Cb 0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2dng s SER 30 CO 0.00 -1.13 -0.02 -0.55 0.98 0.00 0.00 173.24 172.53 2dng s SER 31 N -3.21 0.26 0.00 7.02 0.15 -1.26 -5.03 113.70 111.63 2dng s SER 31 Ca 0.33 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2dng s SER 31 Cb 0.02 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2dng s SER 31 CO 0.18 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2dng n GLY 32 N 1.39 0.94 3.50 9.45 0.00 -1.26 -5.01 105.19 114.21 2dng n GLY 32 Ca -0.23 -0.87 -0.50 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.57 -2.55 1.61 4.01 -1.26 -4.86 118.16 115.68 2dng n LYS 33 Ca 0.00 0.20 -0.42 0.00 -0.51 0.00 0.00 58.31 57.58 2dng n LYS 33 Cb 0.00 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 2dng n LYS 33 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2dng s GLU 34 N -0.73 4.35 0.39 1.97 2.02 -1.26 -5.03 118.70 120.42 2dng s GLU 34 Ca 0.71 1.55 -0.15 0.00 0.02 0.00 0.00 54.97 57.10 2dng s GLU 34 Cb -0.93 -3.58 -0.08 0.00 0.10 0.00 0.00 34.13 29.63 2dng s GLU 34 CO 0.56 -0.45 0.81 -0.51 0.02 0.00 0.00 175.26 175.69 2dng s LEU 35 N 2.39 3.92 0.35 1.80 1.43 -1.26 -5.04 118.68 122.26 2dng s LEU 35 Ca 0.52 1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 54.68 2dng s LEU 35 Cb -0.21 -4.19 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 2dng s LEU 35 CO 0.18 -0.34 1.27 -2.16 0.23 0.00 0.00 176.35 175.54 2dng s PRO 36 N -3.42 4.28 0.01 1.29 0.04 -1.26 -4.96 135.00 130.98 2dng s PRO 36 Ca 0.55 2.12 -0.07 0.00 0.04 0.00 0.00 61.00 63.65 2dng s PRO 36 Cb -0.10 -2.98 -0.30 0.00 0.04 0.00 0.00 34.50 31.16 2dng s PRO 36 CO 0.23 -0.22 0.88 1.79 0.04 0.00 0.00 177.00 179.72 2dng h THR 37 N 2.86 1.18 -3.97 1.26 1.35 -1.96 -3.47 112.91 110.16 2dng h THR 37 Ca -0.49 -2.77 -0.21 0.00 -0.55 0.00 0.00 66.41 62.39 2dng h THR 37 Cb 1.23 2.83 -0.18 0.00 -1.73 0.00 0.00 68.15 70.30 2dng h THR 37 CO 0.65 0.83 -0.71 -1.83 -0.25 0.00 0.00 175.52 174.22 2dng s GLU 38 N -2.61 0.61 1.08 4.72 -1.05 -1.26 -5.16 118.70 115.02 2dng s GLU 38 Ca -0.10 -1.01 -0.13 0.00 -0.15 0.00 0.00 54.97 53.59 2dng s GLU 38 Cb 0.06 -0.11 0.23 0.00 -0.44 0.00 0.00 34.13 33.88 2dng s GLU 38 CO 0.87 -0.02 1.07 -1.25 0.95 0.00 0.00 175.26 176.88 2dng s PRO 39 N -2.74 -0.19 1.11 -4.83 0.04 -1.26 -4.75 135.00 122.37 2dng s PRO 39 Ca -0.01 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 2dng s PRO 39 Cb -0.02 -1.66 0.24 0.00 0.04 0.00 0.00 34.50 33.11 2dng s PRO 39 CO -0.03 -3.18 1.10 -1.25 0.04 0.00 0.00 177.00 173.68 2dng s PRO 40 N -4.77 -0.48 -0.42 0.56 0.04 -1.26 -5.13 135.00 123.54 2dng s PRO 40 Ca 0.67 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.94 2dng s PRO 40 Cb -0.21 -1.66 0.12 0.00 0.04 0.00 0.00 34.50 32.79 2dng s PRO 40 CO 0.60 -3.27 0.16 0.71 0.04 0.00 0.00 177.00 175.24 2dng s TYR 41 N -2.99 3.16 -0.00 0.56 2.02 -1.26 -5.04 117.35 113.80 2dng s TYR 41 Ca 0.68 -2.90 -0.03 0.00 -0.37 0.00 0.00 57.07 54.45 2dng s TYR 41 Cb -0.14 -2.67 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 2dng s TYR 41 CO 0.57 -0.84 0.20 0.99 -1.57 0.00 0.00 175.55 174.90 2dng s THR 42 N 0.43 5.41 0.06 -0.71 2.01 -1.26 -1.79 115.64 119.78 2dng s THR 42 Ca 0.14 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2dng s THR 42 Cb -0.22 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2dng s THR 42 CO -0.05 0.32 -0.07 0.00 -0.69 0.00 0.00 174.62 174.13 2dng s ALA 43 N -1.33 0.63 -0.05 7.40 0.00 -0.62 -3.68 121.76 124.10 2dng s ALA 43 Ca 0.28 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2dng s ALA 43 Cb -0.13 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2dng s ALA 43 CO 0.19 -0.12 0.04 -0.47 0.00 0.00 0.00 175.76 175.40 2dng s TYR 44 N -2.19 3.23 -0.07 0.00 6.14 0.60 -0.93 117.35 124.14 2dng s TYR 44 Ca -0.03 0.22 -0.01 0.00 0.64 0.00 0.00 57.07 57.88 2dng s TYR 44 Cb -0.04 -1.77 0.03 0.00 0.42 0.00 0.00 41.96 40.59 2dng s TYR 44 CO -0.02 0.52 0.01 0.08 0.64 0.00 0.00 175.55 176.79 2dng s VAL 45 N -1.02 0.29 0.29 3.14 1.01 -0.28 -1.50 120.40 122.32 2dng s VAL 45 Ca 0.17 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2dng s VAL 45 Cb -0.12 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.81 2dng s VAL 45 CO 0.07 0.24 0.06 0.61 0.00 0.00 0.00 175.10 176.09 2dng n GLY 46 N 5.18 3.57 3.57 4.51 0.00 0.64 -2.04 105.19 120.61 2dng n GLY 46 Ca -0.06 -2.28 -0.22 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.38 -3.46 -4.90 1.61 4.05 -1.22 -2.82 115.26 107.14 2dng n ASN 47 Ca -0.09 -0.82 -0.29 0.00 0.45 0.00 0.00 54.58 53.83 2dng n ASN 47 Cb 0.35 -4.26 -0.04 0.00 1.23 0.00 0.00 39.78 37.06 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 -6.31 4.22 0.30 1.20 1.43 -1.26 -4.39 118.68 113.88 2dng s LEU 48 Ca 0.22 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.21 2dng s LEU 48 Cb -0.05 -2.82 -0.15 0.00 0.03 0.00 0.00 46.19 43.20 2dng s LEU 48 CO 0.80 0.12 0.67 -2.65 0.23 0.00 0.00 176.35 175.52 2dng n PRO 49 N -0.05 0.62 -0.28 1.29 -0.02 -1.26 -4.83 135.00 130.47 2dng n PRO 49 Ca -0.07 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.72 2dng n PRO 49 Cb 0.53 -1.43 0.22 0.00 -0.02 0.00 0.00 33.50 32.80 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 1.25 0.10 -3.29 6.00 3.04 -1.97 -2.91 116.94 119.17 2dng h PHE 50 Ca -0.36 0.06 -0.71 0.00 3.98 0.00 0.00 57.97 60.94 2dng h PHE 50 Cb 1.39 0.09 -0.35 0.00 2.56 0.00 0.00 35.95 39.65 2dng h PHE 50 CO 0.42 -0.25 -0.04 -1.71 -2.02 0.00 0.00 178.31 174.71 2dng n ASN 51 N -5.32 4.35 -4.75 0.41 4.05 -1.26 -4.86 115.26 107.88 2dng n ASN 51 Ca 0.18 -3.14 -0.33 0.00 0.45 0.00 0.00 54.58 51.73 2dng n ASN 51 Cb 0.58 -1.07 -0.08 0.00 1.23 0.00 0.00 39.78 40.45 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2dng s THR 52 N -1.46 4.58 0.06 -0.44 2.01 -1.10 -5.07 115.64 114.22 2dng s THR 52 Ca 0.28 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.91 2dng s THR 52 Cb -0.06 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2dng s THR 52 CO -0.12 0.41 -0.07 0.68 -0.69 0.00 0.00 174.62 174.84 2dng s VAL 53 N -1.11 0.54 0.31 3.82 -7.23 -1.26 -5.01 120.40 110.46 2dng s VAL 53 Ca 0.20 -1.45 0.18 0.00 -1.81 0.00 0.00 61.98 59.10 2dng s VAL 53 Cb -0.12 -1.07 0.30 0.00 0.56 0.00 0.00 36.38 36.06 2dng s VAL 53 CO 0.11 -0.63 1.30 1.67 -0.31 0.00 0.00 175.10 177.24 2dng n GLN 54 N 0.79 -0.05 -0.15 4.82 7.27 -1.26 0.16 117.38 128.96 2dng n GLN 54 Ca -0.18 1.12 -0.06 0.00 0.07 0.00 0.00 57.00 57.95 2dng n GLN 54 Cb 0.58 -2.04 0.03 0.00 2.41 0.00 0.00 30.24 31.21 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 0.64 0.29 1.69 0.00 -1.99 -1.95 103.07 101.76 2dng h GLY 55 Ca 0.70 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.87 2dng h GLY 55 CO -0.60 0.16 -0.33 -0.55 0.00 0.00 0.00 176.54 175.21 2dng h ASP 56 N 0.52 -1.00 -0.61 0.19 3.32 0.11 -1.27 116.42 117.68 2dng h ASP 56 Ca 0.19 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.45 2dng h ASP 56 Cb 0.04 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 2dng h ASP 56 CO -0.10 -0.40 0.26 0.40 -1.72 0.00 0.00 179.24 177.68 2dng h ILE 57 N -0.50 0.83 -0.64 0.35 1.08 -1.45 -0.17 117.51 117.01 2dng h ILE 57 Ca 0.06 -0.16 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 2dng h ILE 57 Cb 0.58 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 2dng h ILE 57 CO -0.27 0.09 0.42 -0.78 -0.69 0.00 0.00 178.15 176.92 2dng h ASP 58 N 0.47 0.45 -0.04 1.72 3.58 -0.70 -1.62 116.42 120.28 2dng h ASP 58 Ca 0.30 0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.53 2dng h ASP 58 Cb 0.32 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.30 2dng h ASP 58 CO -0.27 0.28 -0.86 0.00 -2.88 0.00 0.00 179.24 175.51 2dng h ALA 59 N 1.67 0.16 0.46 -0.78 0.00 0.05 0.47 119.26 121.30 2dng h ALA 59 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2dng h ALA 59 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dng h ALA 59 CO -0.09 0.60 -0.35 0.82 0.00 0.00 0.00 179.25 180.23 2dng h ILE 60 N 0.32 0.29 -0.89 0.00 2.04 -0.26 -2.84 117.51 116.16 2dng h ILE 60 Ca -0.09 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.31 2dng h ILE 60 Cb 1.52 0.29 -0.27 0.00 -0.74 0.00 0.00 36.82 37.62 2dng h ILE 60 CO 0.17 0.00 0.53 0.49 0.00 0.00 0.00 178.15 179.34 2dng n PHE 61 N -5.47 2.77 0.18 1.37 3.72 -0.76 -4.59 117.46 114.68 2dng n PHE 61 Ca -0.11 -1.77 0.19 0.00 -0.05 0.00 0.00 57.45 55.70 2dng n PHE 61 Cb 0.37 -0.87 0.80 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.11 0.00 0.00 -1.08 5.09 -0.64 0.39 116.57 121.44 2dng h LYS 62 Ca 0.56 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 61.16 2dng h LYS 62 Cb 2.68 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 34.99 2dng h LYS 62 CO 0.99 0.00 -0.67 -0.44 -2.09 0.00 0.00 179.45 177.24 2dng h ASP 63 N 0.00 0.00 -2.52 7.07 5.19 -1.83 -3.46 116.42 120.87 2dng h ASP 63 Ca 0.12 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 56.09 2dng h ASP 63 Cb 0.81 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.36 2dng h ASP 63 CO -0.00 0.67 -0.06 -0.76 -3.12 0.00 0.00 179.24 175.97 2dng s LEU 64 N -6.85 3.37 -0.42 1.55 1.43 0.14 -5.06 118.68 112.84 2dng s LEU 64 Ca 0.01 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2dng s LEU 64 Cb 0.10 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.41 2dng s LEU 64 CO 0.76 -1.03 0.61 -0.55 0.23 0.00 0.00 176.35 176.37 2dng s SER 65 N -4.38 6.31 -0.27 2.29 0.15 -1.26 -4.98 113.70 111.57 2dng s SER 65 Ca 0.55 -0.32 -0.08 0.00 0.70 0.00 0.00 55.95 56.80 2dng s SER 65 Cb -0.10 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2dng s SER 65 CO 0.38 -0.72 0.09 -0.63 1.20 0.00 0.00 173.24 173.56 2dng s ILE 66 N 2.70 4.36 -0.01 6.45 1.01 -1.26 -1.95 121.20 132.50 2dng s ILE 66 Ca 0.21 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.39 2dng s ILE 66 Cb -0.15 -3.10 -0.24 0.00 0.01 0.00 0.00 42.46 38.98 2dng s ILE 66 CO 0.18 0.26 1.06 -0.09 0.00 0.00 0.00 174.94 176.34 2dng h ARG 67 N 8.26 0.35 -1.27 2.79 2.43 -1.80 -3.47 114.38 121.66 2dng h ARG 67 Ca -0.36 -0.39 0.18 0.00 -0.81 0.00 0.00 59.98 58.59 2dng h ARG 67 Cb 1.16 0.12 -0.25 0.00 -0.42 0.00 0.00 29.97 30.58 2dng h ARG 67 CO 0.59 1.08 0.78 0.45 -1.51 0.00 0.00 179.97 181.36 2dng s SER 68 N -6.68 -0.18 -0.07 -3.80 0.15 -1.26 -5.03 113.70 96.83 2dng s SER 68 Ca -0.14 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.72 2dng s SER 68 Cb 0.03 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2dng s SER 68 CO 0.81 -0.16 -0.12 -0.69 1.20 0.00 0.00 173.24 174.28 2dng s VAL 69 N -1.08 3.27 -0.34 4.45 1.01 -1.26 -1.39 120.40 125.06 2dng s VAL 69 Ca 0.04 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2dng s VAL 69 Cb -0.01 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2dng s VAL 69 CO -0.04 0.58 0.16 -0.13 0.00 0.00 0.00 175.10 175.67 2dng s ARG 70 N -0.55 3.05 -0.16 2.72 0.52 0.61 -4.99 118.95 120.15 2dng s ARG 70 Ca 0.08 -0.92 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 2dng s ARG 70 Cb -0.12 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 2dng s ARG 70 CO 0.02 -0.56 0.09 -0.51 0.02 0.00 0.00 175.30 174.36 2dng s LEU 71 N 1.56 4.01 0.15 2.53 1.43 -1.26 -1.68 118.68 125.42 2dng s LEU 71 Ca 0.03 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2dng s LEU 71 Cb -0.18 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2dng s LEU 71 CO 0.06 0.25 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2dng s VAL 72 N -0.08 3.99 0.27 -1.59 1.01 -1.25 -5.07 120.40 117.67 2dng s VAL 72 Ca 0.08 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.85 2dng s VAL 72 Cb -0.12 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2dng s VAL 72 CO 0.01 -0.05 0.24 -0.13 0.00 0.00 0.00 175.10 175.17 2dng s ARG 73 N -2.81 1.50 0.96 2.72 0.52 -1.26 -4.01 118.95 116.57 2dng s ARG 73 Ca 0.28 -1.77 -0.16 0.00 -0.52 0.00 0.00 55.73 53.56 2dng s ARG 73 Cb -0.10 0.32 0.19 0.00 0.52 0.00 0.00 34.95 35.88 2dng s ARG 73 CO 0.20 -0.54 1.28 -0.51 0.02 0.00 0.00 175.30 175.75 2dng s ASP 74 N -3.24 3.13 -0.04 0.23 1.01 -1.15 -4.91 116.67 111.70 2dng s ASP 74 Ca 0.38 0.38 0.16 0.00 0.71 0.00 0.00 52.55 54.17 2dng s ASP 74 Cb 0.04 -0.50 -0.24 0.00 1.01 0.00 0.00 42.92 43.23 2dng s ASP 74 CO 0.19 -2.74 0.31 2.29 0.21 0.00 0.00 175.17 175.44 2dng n LYS 75 N -3.79 0.62 -0.00 8.23 -0.00 -1.26 -4.22 118.16 117.73 2dng n LYS 75 Ca 0.14 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.31 58.31 2dng n LYS 75 Cb 0.60 -1.38 -0.00 0.00 -0.00 0.00 0.00 35.03 34.24 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 -2.12 0.24 0.28 -5.58 8.00 -1.26 -4.70 116.55 111.41 2dng n ASP 76 Ca -0.06 0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.62 2dng n ASP 76 Cb 0.49 -0.27 0.82 0.00 -0.02 0.00 0.00 41.12 42.13 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 -0.07 0.55 -6.30 -3.53 1.35 -2.01 -3.46 112.91 99.43 2dng h THR 77 Ca 0.00 -0.29 -0.47 0.00 -0.55 0.00 0.00 66.41 65.10 2dng h THR 77 Cb 0.07 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.65 2dng h THR 77 CO 0.00 0.06 -0.79 -0.67 -0.25 0.00 0.00 175.52 173.87 2dng n ASP 78 N -3.73 -3.52 -4.78 5.36 2.03 -1.26 -4.97 116.55 105.67 2dng n ASP 78 Ca -0.02 -0.82 -0.23 0.00 0.52 0.00 0.00 54.79 54.23 2dng n ASP 78 Cb 0.16 -3.78 -0.06 0.00 -0.72 0.00 0.00 41.12 36.73 2dng n ASP 78 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2dng s LYS 79 N -6.49 2.36 -0.66 -0.67 -2.85 -1.26 -4.78 119.74 105.39 2dng s LYS 79 Ca 0.47 -1.67 -0.26 0.00 -1.00 0.00 0.00 55.97 53.50 2dng s LYS 79 Cb -0.24 -2.16 -0.02 0.00 -2.06 0.00 0.00 37.83 33.35 2dng s LYS 79 CO 0.84 -0.09 1.86 0.12 0.10 0.00 0.00 175.35 178.17 2dng s PHE 80 N -2.52 1.70 0.16 1.78 5.36 -1.26 -2.96 117.98 120.24 2dng s PHE 80 Ca 0.43 0.73 -0.30 0.00 -0.96 0.00 0.00 56.93 56.83 2dng s PHE 80 Cb 0.00 -4.10 -0.05 0.00 -0.34 0.00 0.00 43.02 38.53 2dng s PHE 80 CO 0.24 -2.22 1.54 0.87 -1.46 0.00 0.00 175.22 174.20 2dng h LYS 81 N 14.26 -0.11 0.00 10.12 1.79 -1.91 -3.46 116.57 137.26 2dng h LYS 81 Ca -0.21 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2dng h LYS 81 Cb 1.14 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2dng h LYS 81 CO 1.22 -0.08 0.00 0.41 -1.08 0.00 0.00 179.45 179.92 2dng n GLY 82 N -1.31 0.89 3.43 3.86 0.00 -1.26 -5.10 105.19 105.69 2dng n GLY 82 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.89 -0.51 0.15 1.61 -0.71 -1.26 -3.45 117.98 112.92 2dng s PHE 83 Ca 0.00 0.97 -0.21 0.00 -1.04 0.00 0.00 56.93 56.65 2dng s PHE 83 Cb 0.00 0.27 0.06 0.00 -1.21 0.00 0.00 43.02 42.14 2dng s PHE 83 CO 0.00 -0.48 0.54 0.00 -1.34 0.00 0.00 175.22 173.95 2dng s TYR 85 N -3.77 2.88 -0.11 0.00 1.51 -0.68 -1.12 117.35 116.07 2dng s TYR 85 Ca 0.02 -0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 2dng s TYR 85 Cb -0.00 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 2dng s TYR 85 CO -0.13 0.08 -0.05 0.08 -1.11 0.00 0.00 175.55 174.42 2dng s VAL 86 N -0.21 3.87 -0.02 0.71 1.01 -0.11 -0.28 120.40 125.36 2dng s VAL 86 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2dng s VAL 86 Cb -0.13 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2dng s VAL 86 CO 0.03 0.56 0.25 -0.70 0.00 0.00 0.00 175.10 175.24 2dng s GLU 87 N -0.32 3.58 -0.05 2.72 2.56 -0.49 -1.58 118.70 125.11 2dng s GLU 87 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 54.97 55.03 2dng s GLU 87 Cb -0.12 -3.11 -0.01 0.00 2.00 0.00 0.00 34.13 32.88 2dng s GLU 87 CO 0.02 0.68 -0.24 -0.06 -0.56 0.00 0.00 175.26 175.11 2dng s PHE 88 N -1.23 2.28 0.01 5.30 0.08 -0.74 -2.46 117.98 121.23 2dng s PHE 88 Ca 0.25 -0.66 -0.22 0.00 0.12 0.00 0.00 56.93 56.42 2dng s PHE 88 Cb -0.13 -1.50 -0.12 0.00 -0.57 0.00 0.00 43.02 40.70 2dng s PHE 88 CO 0.14 -0.19 1.07 0.22 -0.10 0.00 0.00 175.22 176.35 2dng h ASP 89 N 6.05 -0.67 -1.21 1.36 1.82 -1.70 -3.35 116.42 118.72 2dng h ASP 89 Ca -0.33 0.02 -0.44 0.00 -0.39 0.00 0.00 57.03 55.89 2dng h ASP 89 Cb 1.17 0.17 0.02 0.00 0.68 0.00 0.00 39.33 41.38 2dng h ASP 89 CO 0.47 -0.38 -0.20 -1.61 -1.61 0.00 0.00 179.24 175.91 2dng s GLU 90 N -4.31 2.64 -0.04 0.28 2.02 -1.26 -4.81 118.70 113.22 2dng s GLU 90 Ca -0.12 -1.38 -0.26 0.00 0.02 0.00 0.00 54.97 53.23 2dng s GLU 90 Cb 0.01 -2.72 -0.21 0.00 0.10 0.00 0.00 34.13 31.31 2dng s GLU 90 CO 0.35 -0.48 1.14 -0.24 0.02 0.00 0.00 175.26 176.05 2dng h VAL 91 N 0.48 1.49 -0.99 2.63 3.04 -1.98 -3.24 116.25 117.69 2dng h VAL 91 Ca -0.36 -1.55 0.31 0.00 -1.01 0.00 0.00 66.70 64.09 2dng h VAL 91 Cb 1.28 2.48 -0.15 0.00 -2.01 0.00 0.00 31.29 32.90 2dng h VAL 91 CO 0.44 0.41 0.52 -2.24 -1.01 0.00 0.00 177.57 175.69 2dng h ASP 92 N -0.53 0.44 -0.41 3.17 3.04 -1.98 0.27 116.42 120.42 2dng h ASP 92 Ca -0.00 0.19 0.07 0.00 -3.24 0.00 0.00 57.03 54.05 2dng h ASP 92 Cb 0.71 0.16 -0.06 0.00 -1.04 0.00 0.00 39.33 39.09 2dng h ASP 92 CO 0.01 -0.14 0.03 0.28 -2.04 0.00 0.00 179.24 177.38 2dng h SER 93 N 0.31 -0.11 -0.10 4.15 0.02 -1.94 -0.57 113.55 115.30 2dng h SER 93 Ca 0.71 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.72 2dng h SER 93 Cb 1.60 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 2dng h SER 93 CO -0.62 -0.02 -0.05 0.25 -1.14 0.00 0.00 176.83 175.26 2dng h LEU 94 N 0.14 0.21 -0.82 5.07 5.85 -0.63 -1.79 115.31 123.35 2dng h LEU 94 Ca 0.20 -0.41 0.18 0.00 0.84 0.00 0.00 57.88 58.69 2dng h LEU 94 Cb 0.28 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2dng h LEU 94 CO -0.31 0.58 0.32 0.11 -0.34 0.00 0.00 178.44 178.79 2dng h LYS 95 N -0.16 0.40 -0.21 1.25 6.56 -0.82 0.95 116.57 124.54 2dng h LYS 95 Ca 0.02 -0.02 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 2dng h LYS 95 Cb 0.50 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2dng h LYS 95 CO 0.01 0.26 -0.59 1.49 -2.06 0.00 0.00 179.45 178.56 2dng h GLU 96 N 0.41 0.69 0.00 3.15 4.57 -1.06 -2.87 114.58 119.46 2dng h GLU 96 Ca 0.48 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2dng h GLU 96 Cb 0.81 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2dng h GLU 96 CO -0.47 1.08 0.00 0.00 -1.18 0.00 0.00 179.01 178.44 2dng h ALA 97 N 0.81 1.00 0.00 2.92 0.00 -0.03 -2.10 119.26 121.86 2dng h ALA 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dng h ALA 97 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dng h ALA 97 CO 0.12 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 2dng h LEU 98 N 0.00 0.00 0.00 0.00 3.38 -0.68 -2.78 115.31 115.23 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 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2dng h LEU 98 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2dng n THR 99 N -2.66 0.30 1.69 0.22 -2.24 -0.79 -2.68 114.28 108.13 2dng n THR 99 Ca 0.03 0.08 0.15 0.00 -2.27 0.00 0.00 64.05 62.03 2dng n THR 99 Cb 0.35 -0.67 0.75 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.40 0.00 -1.36 4.78 4.02 -1.05 -4.50 117.16 117.66 2dng n TYR 100 Ca 0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.59 2dng n TYR 100 Cb 0.24 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 2dng n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2dng n ASP 101 N -0.73 4.84 0.00 7.72 5.75 -1.09 -3.03 116.55 130.00 2dng n ASP 101 Ca 0.20 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 2dng n ASP 101 Cb 0.22 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 38.88 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 4.03 0.00 3.14 6.12 0.00 -1.26 -4.94 105.19 112.28 2dng n GLY 102 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 1.88 -0.04 4.61 0.00 -1.17 -5.07 121.76 121.97 2dng s ALA 103 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2dng s ALA 103 Cb 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2dng s ALA 103 CO 0.00 0.14 0.96 -0.51 0.00 0.00 0.00 175.76 176.35 2dng s LEU 104 N 0.60 4.33 -0.81 0.00 1.43 -1.26 -3.13 118.68 119.82 2dng s LEU 104 Ca -0.14 1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.39 2dng s LEU 104 Cb -0.17 -3.52 0.22 0.00 0.03 0.00 0.00 46.19 42.75 2dng s LEU 104 CO 0.04 -0.30 0.75 -0.22 0.23 0.00 0.00 176.35 176.85 2dng s LEU 105 N 1.30 6.70 0.00 1.79 2.96 -0.09 -4.97 118.68 126.37 2dng s LEU 105 Ca 0.49 -2.68 0.00 0.00 -0.22 0.00 0.00 54.13 51.73 2dng s LEU 105 Cb -0.20 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.29 2dng s LEU 105 CO 0.24 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 2dng n GLY 106 N 3.98 3.11 1.97 7.98 0.00 -1.26 -1.12 105.19 119.84 2dng n GLY 106 Ca 0.13 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 10.22 4.20 -3.53 1.61 -0.08 -1.26 -4.93 116.55 122.78 2dng n ASP 107 Ca 0.00 -3.22 -0.15 0.00 -1.51 0.00 0.00 54.79 49.91 2dng n ASP 107 Cb 0.00 -0.76 -0.06 0.00 2.34 0.00 0.00 41.12 42.64 2dng n ASP 107 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2dng s ARG 108 N -2.80 1.70 0.29 -0.67 0.52 -0.28 -5.18 118.95 112.53 2dng s ARG 108 Ca 0.50 -1.76 0.10 0.00 -0.52 0.00 0.00 55.73 54.05 2dng s ARG 108 Cb 0.41 0.38 -0.05 0.00 0.52 0.00 0.00 34.95 36.21 2dng s ARG 108 CO 0.11 -0.66 -0.05 0.45 0.02 0.00 0.00 175.30 175.17 2dng s SER 109 N -3.24 4.17 -0.02 0.23 0.15 -1.26 -0.92 113.70 112.81 2dng s SER 109 Ca 0.34 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 56.18 2dng s SER 109 Cb 0.02 -0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 63.72 2dng s SER 109 CO 0.20 -0.06 -0.16 -0.76 1.20 0.00 0.00 173.24 173.66 2dng s LEU 110 N -3.64 1.99 -0.31 3.45 1.43 -1.18 -4.57 118.68 115.85 2dng s LEU 110 Ca 0.32 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2dng s LEU 110 Cb -0.04 -0.85 0.10 0.00 0.03 0.00 0.00 46.19 45.43 2dng s LEU 110 CO 0.18 0.18 0.10 -0.60 0.23 0.00 0.00 176.35 176.45 2dng s ARG 111 N -0.27 0.72 -0.11 1.70 6.06 -1.13 -4.18 118.95 121.74 2dng s ARG 111 Ca 0.04 -1.09 -0.01 0.00 -2.50 0.00 0.00 55.73 52.16 2dng s ARG 111 Cb -0.07 -1.97 -0.03 0.00 0.06 0.00 0.00 34.95 32.93 2dng s ARG 111 CO -0.00 -1.00 -0.06 0.08 -2.50 0.00 0.00 175.30 171.83 2dng s VAL 112 N 1.58 3.75 0.00 7.11 1.01 -1.26 -0.26 120.40 132.33 2dng s VAL 112 Ca 0.10 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2dng s VAL 112 Cb -0.17 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.67 2dng s VAL 112 CO -0.24 0.55 0.47 -0.62 0.00 0.00 0.00 175.10 175.26 2dng s ASP 113 N -0.24 -0.38 -0.27 3.32 -1.08 -0.56 -4.39 116.67 113.06 2dng s ASP 113 Ca 0.04 0.24 -0.29 0.00 -0.52 0.00 0.00 52.55 52.02 2dng s ASP 113 Cb -0.13 0.43 -0.02 0.00 -1.46 0.00 0.00 42.92 41.75 2dng s ASP 113 CO 0.02 -0.60 1.55 -0.63 0.52 0.00 0.00 175.17 176.03 2dng s ILE 114 N -1.82 3.78 -0.33 4.11 1.01 -1.26 -0.29 121.20 126.41 2dng s ILE 114 Ca -0.09 0.87 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 2dng s ILE 114 Cb -0.02 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2dng s ILE 114 CO 0.03 -0.40 2.08 0.00 0.00 0.00 0.00 174.94 176.64 2dng s ALA 115 N 5.27 2.55 -0.11 9.38 0.00 -1.24 -4.83 121.76 132.77 2dng s ALA 115 Ca 0.68 0.36 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2dng s ALA 115 Cb -0.21 -4.12 0.01 0.00 0.00 0.00 0.00 23.12 18.80 2dng s ALA 115 CO 0.29 -3.10 -0.18 -1.83 0.00 0.00 0.00 175.76 170.93 2dng s GLU 116 N 6.49 2.54 -0.48 0.00 -1.05 -1.26 -4.87 118.70 120.07 2dng s GLU 116 Ca 0.90 -0.69 0.06 0.00 -0.15 0.00 0.00 54.97 55.10 2dng s GLU 116 Cb -0.25 -2.06 0.22 0.00 -0.44 0.00 0.00 34.13 31.61 2dng s GLU 116 CO 0.32 0.01 0.53 0.41 0.95 0.00 0.00 175.26 177.48 2dng n GLY 117 N 3.97 3.23 3.51 -3.83 0.00 -1.26 -5.07 105.19 105.74 2dng n GLY 117 Ca -0.20 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.22 3.30 0.66 1.61 3.52 -1.26 -5.03 118.95 120.53 2dng s ARG 118 Ca 0.35 -0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.43 2dng s ARG 118 Cb 0.12 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 2dng s ARG 118 CO -0.11 -1.40 1.15 0.21 -0.81 0.00 0.00 175.30 174.33 2dng s LYS 119 N 3.65 2.70 -0.03 5.12 2.20 -1.26 -5.05 119.74 127.07 2dng s LYS 119 Ca 0.28 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 2dng s LYS 119 Cb -0.14 -1.92 0.03 0.00 -1.51 0.00 0.00 37.83 34.29 2dng s LYS 119 CO 0.18 -1.36 0.00 -0.65 -0.36 0.00 0.00 175.35 173.16 2dng s GLN 120 N -3.87 0.25 -0.40 4.03 -1.52 -1.26 -5.12 119.66 111.77 2dng s GLN 120 Ca 0.71 0.08 -0.12 0.00 -1.95 0.00 0.00 55.36 54.08 2dng s GLN 120 Cb -0.24 -0.44 0.04 0.00 -0.22 0.00 0.00 33.01 32.15 2dng s GLN 120 CO 0.40 -0.13 0.26 0.34 -0.25 0.00 0.00 175.29 175.91 2dng s ASP 121 N 0.98 5.85 0.00 5.90 -1.08 -1.26 -4.97 116.67 122.10 2dng s ASP 121 Ca -0.10 -1.11 -0.25 0.00 -0.52 0.00 0.00 52.55 50.58 2dng s ASP 121 Cb -0.13 -2.07 -0.16 0.00 -1.46 0.00 0.00 42.92 39.10 2dng s ASP 121 CO -0.02 -0.46 1.18 0.11 0.52 0.00 0.00 175.17 176.51 2dng h LYS 122 N 8.52 -0.42 -6.76 4.34 1.57 -2.06 -3.45 116.57 118.31 2dng h LYS 122 Ca -0.26 0.03 -0.47 0.00 -1.87 0.00 0.00 60.65 58.08 2dng h LYS 122 Cb 1.10 0.10 0.23 0.00 0.08 0.00 0.00 32.23 33.74 2dng h LYS 122 CO 0.72 -0.10 -0.83 -1.13 -0.57 0.00 0.00 179.45 177.55 2dng n SER 123 N -5.13 -2.19 0.00 0.86 3.41 -1.26 -5.01 113.62 104.30 2dng n SER 123 Ca -0.09 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2dng n SER 123 Cb 0.27 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2dng n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dng n GLY 124 N 1.76 -1.76 3.71 5.00 0.00 -1.26 -5.18 105.19 107.46 2dng n GLY 124 Ca 0.03 0.88 -0.29 0.00 0.00 0.00 0.00 46.02 46.64 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 0.09 -0.25 1.61 0.04 -1.26 -5.04 135.00 130.19 2dng s PRO 125 Ca 0.00 0.16 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 2dng s PRO 125 Cb 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dng s PRO 125 CO 0.00 -2.88 0.05 -1.12 0.04 0.00 0.00 177.00 173.08 2dng s SER 126 N -3.90 4.96 0.98 6.66 0.01 -1.26 -5.10 113.70 116.04 2dng s SER 126 Ca 0.68 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.48 2dng s SER 126 Cb -0.13 -1.88 0.18 0.00 0.21 0.00 0.00 66.02 64.40 2dng s SER 126 CO 0.55 -0.05 1.20 -0.44 0.41 0.00 0.00 173.24 174.92 2dng s SER 127 N 1.57 2.97 0.00 2.44 0.01 -1.26 -5.39 113.70 114.04 2dng s SER 127 Ca 0.06 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2dng s SER 127 Cb -0.15 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.15 2dng s SER 127 CO 0.02 -2.86 0.00 0.61 0.41 0.00 0.00 173.24 171.42