#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc n SER 2 N 0.00 -7.44 0.14 1.61 7.64 -1.26 -5.06 113.62 109.25 2dnc n SER 2 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2dnc n SER 2 Cb 0.00 -3.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.76 2dnc n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dnc n SER 3 N 0.15 -2.50 -2.69 6.43 7.64 -1.26 -5.05 113.62 116.34 2dnc n SER 3 Ca 0.00 0.62 -0.05 0.00 1.01 0.00 0.00 58.87 60.45 2dnc n SER 3 Cb 0.00 2.50 0.07 0.00 -1.01 0.00 0.00 64.21 65.77 2dnc n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnc n GLY 4 N -1.38 -1.18 3.65 0.23 0.00 -1.26 -5.14 105.19 100.11 2dnc n GLY 4 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 46.02 46.77 2dnc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 5 N -0.65 -0.10 -0.03 1.61 0.01 -1.26 -5.16 113.70 108.12 2dnc s SER 5 Ca 0.27 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.67 2dnc s SER 5 Cb 0.23 0.93 0.03 0.00 0.21 0.00 0.00 66.02 67.42 2dnc s SER 5 CO -0.13 -0.03 0.05 -0.44 0.41 0.00 0.00 173.24 173.10 2dnc s SER 6 N 0.94 0.70 0.25 2.44 0.01 -1.26 -4.97 113.70 111.82 2dnc s SER 6 Ca -0.06 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.16 2dnc s SER 6 Cb -0.03 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.12 2dnc s SER 6 CO -0.11 -0.20 0.51 0.61 0.41 0.00 0.00 173.24 174.46 2dnc n GLY 7 N 4.82 1.34 3.36 3.44 0.00 -1.26 -4.92 105.19 111.97 2dnc n GLY 7 Ca -0.14 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2dnc n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dnc s ILE 8 N -2.42 4.74 -0.09 -0.61 1.01 0.51 -4.93 121.20 119.41 2dnc s ILE 8 Ca 0.10 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 2dnc s ILE 8 Cb -0.03 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2dnc s ILE 8 CO 0.08 -0.42 0.99 -1.59 0.00 0.00 0.00 174.94 174.00 2dnc s LYS 9 N 1.56 4.44 -0.52 2.79 -2.85 -1.26 0.14 119.74 124.04 2dnc s LYS 9 Ca 0.03 1.38 -0.23 0.00 -1.00 0.00 0.00 55.97 56.15 2dnc s LYS 9 Cb -0.22 -3.53 0.04 0.00 -2.06 0.00 0.00 37.83 32.07 2dnc s LYS 9 CO 0.06 -0.26 0.87 0.42 0.10 0.00 0.00 175.35 176.54 2dnc s ILE 10 N 1.82 4.50 -0.05 3.79 1.01 0.38 -4.95 121.20 127.71 2dnc s ILE 10 Ca 0.49 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.35 2dnc s ILE 10 Cb -0.19 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 2dnc s ILE 10 CO 0.20 -0.98 0.13 -0.76 0.00 0.00 0.00 174.94 173.53 2dnc s LEU 11 N 3.65 4.19 -0.25 2.97 1.43 -1.26 -1.01 118.68 128.40 2dnc s LEU 11 Ca 0.29 0.32 -0.33 0.00 -1.03 0.00 0.00 54.13 53.38 2dnc s LEU 11 Cb -0.13 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 2dnc s LEU 11 CO 0.20 0.32 2.12 0.80 0.23 0.00 0.00 176.35 180.01 2dnc n MET 12 N 1.42 1.60 -2.03 1.70 0.00 -0.88 -4.85 117.12 114.09 2dnc n MET 12 Ca -0.15 0.49 -0.32 0.00 -0.00 0.00 0.00 57.70 57.71 2dnc n MET 12 Cb 0.53 -2.72 0.01 0.00 0.00 0.00 0.00 33.22 31.04 2dnc n MET 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2dnc s PRO 13 N 5.69 3.35 -1.46 2.12 0.04 -1.26 -3.45 135.00 140.02 2dnc s PRO 13 Ca 1.03 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 2dnc s PRO 13 Cb -0.67 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 2dnc s PRO 13 CO 0.46 -0.78 3.03 -1.13 0.04 0.00 0.00 177.00 178.62 2dnc n SER 14 N -2.12 8.39 -0.31 6.66 3.41 -1.26 -4.66 113.62 123.73 2dnc n SER 14 Ca 0.08 -2.56 0.12 0.00 -0.26 0.00 0.00 58.87 56.26 2dnc n SER 14 Cb 0.53 -1.54 0.27 0.00 -0.26 0.00 0.00 64.21 63.21 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dnc h LEU 15 N 6.81 -0.26-10.21 1.04 3.38 -1.95 -3.39 115.31 110.73 2dnc h LEU 15 Ca 0.81 0.23 -0.50 0.00 0.09 0.00 0.00 57.88 58.51 2dnc h LEU 15 Cb 0.40 0.37 0.01 0.00 0.09 0.00 0.00 40.66 41.53 2dnc h LEU 15 CO 1.63 -0.24 -0.03 -0.44 0.09 0.00 0.00 178.44 179.44 2dnc s SER 16 N -5.07 6.36 0.49 -0.43 0.01 -1.26 -4.98 113.70 108.82 2dnc s SER 16 Ca -0.13 0.78 0.28 0.00 1.31 0.00 0.00 55.95 58.20 2dnc s SER 16 Cb 0.26 -2.18 0.87 0.00 0.21 0.00 0.00 66.02 65.18 2dnc s SER 16 CO 0.77 -0.37 1.80 1.55 0.41 0.00 0.00 173.24 177.40 2dnc h PRO 17 N 0.92 0.00 -0.73 12.44 0.13 -2.02 -3.36 132.00 139.38 2dnc h PRO 17 Ca -0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 2dnc h PRO 17 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2dnc h PRO 17 CO 0.63 0.00 -0.72 0.25 -0.23 0.00 0.00 178.00 177.93 2dnc n THR 18 N -3.08 -0.18 -4.07 1.56 -2.24 -1.26 -5.11 114.28 99.90 2dnc n THR 18 Ca 0.02 -2.50 -0.34 0.00 -2.27 0.00 0.00 64.05 58.96 2dnc n THR 18 Cb 0.41 0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 2dnc n THR 18 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2dnc s MET 19 N -0.27 3.21 0.16 -0.78 0.00 -1.26 -4.98 119.30 115.38 2dnc s MET 19 Ca 0.31 -0.72 -0.01 0.00 0.00 0.00 0.00 55.69 55.27 2dnc s MET 19 Cb 0.25 -2.79 0.01 0.00 0.00 0.00 0.00 34.83 32.30 2dnc s MET 19 CO -0.15 -0.17 1.39 0.93 0.00 0.00 0.00 175.02 177.02 2dnc h GLU 20 N 7.93 0.36 -2.85 4.11 5.08 -1.97 -3.46 114.58 123.78 2dnc h GLU 20 Ca -0.42 -0.33 0.09 0.00 -1.00 0.00 0.00 59.36 57.70 2dnc h GLU 20 Cb 1.16 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2dnc h GLU 20 CO 0.61 1.00 0.30 -1.83 -1.00 0.00 0.00 179.01 178.09 2dnc s GLU 21 N -3.44 1.69 0.00 2.33 -1.05 -1.26 -3.25 118.70 113.71 2dnc s GLU 21 Ca -0.05 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 2dnc s GLU 21 Cb 0.10 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.35 2dnc s GLU 21 CO 0.84 -0.77 0.00 0.41 0.95 0.00 0.00 175.26 176.69 2dnc n GLY 22 N -0.47 5.67 3.42 -3.83 0.00 0.59 -4.78 105.19 105.78 2dnc n GLY 22 Ca -0.05 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.40 2dnc n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dnc s ASN 23 N 0.84 -1.20 -0.25 1.61 0.01 -1.24 0.19 114.94 114.92 2dnc s ASN 23 Ca 0.00 1.25 -0.29 0.00 -0.71 0.00 0.00 52.86 53.11 2dnc s ASN 23 Cb 0.00 2.20 -0.02 0.00 0.41 0.00 0.00 41.25 43.84 2dnc s ASN 23 CO 0.00 -0.24 1.63 -0.63 -1.51 0.00 0.00 177.10 176.35 2dnc s ILE 24 N 2.87 3.68 -0.03 0.60 1.09 -0.47 -0.97 121.20 127.97 2dnc s ILE 24 Ca 0.06 0.76 -0.18 0.00 -1.10 0.00 0.00 60.65 60.18 2dnc s ILE 24 Cb -0.13 -3.73 -0.11 0.00 -1.06 0.00 0.00 42.46 37.42 2dnc s ILE 24 CO -0.20 -0.34 0.76 0.58 -0.10 0.00 0.00 174.94 175.65 2dnc h VAL 25 N 6.25 0.24 -2.43 2.92 2.07 -0.40 0.39 116.25 125.30 2dnc h VAL 25 Ca -0.33 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 2dnc h VAL 25 Cb 1.15 0.39 -0.21 0.00 -1.52 0.00 0.00 31.29 31.11 2dnc h VAL 25 CO 1.01 0.06 -0.03 -0.75 0.02 0.00 0.00 177.57 177.88 2dnc s LYS 26 N -3.53 0.80 -0.12 1.57 2.20 -1.26 -3.19 119.74 116.20 2dnc s LYS 26 Ca -0.10 0.34 -0.26 0.00 -0.36 0.00 0.00 55.97 55.59 2dnc s LYS 26 Cb 0.01 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2dnc s LYS 26 CO 0.33 -0.19 0.83 -1.58 -0.36 0.00 0.00 175.35 174.37 2dnc s TRP 27 N -0.65 3.49 -0.52 4.03 0.52 -1.26 -1.56 118.94 122.98 2dnc s TRP 27 Ca -0.07 1.32 0.24 0.00 0.02 0.00 0.00 56.10 57.61 2dnc s TRP 27 Cb -0.03 -2.99 0.44 0.00 -1.15 0.00 0.00 33.47 29.74 2dnc s TRP 27 CO 0.05 -0.14 1.59 -0.07 0.02 0.00 0.00 176.95 178.39 2dnc h LEU 28 N 7.81 0.00 -9.34 2.99 3.38 0.17 -3.46 115.31 116.86 2dnc h LEU 28 Ca -0.33 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.01 2dnc h LEU 28 Cb 1.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 2dnc h LEU 28 CO 0.81 0.01 -0.71 -0.54 0.09 0.00 0.00 178.44 178.10 2dnc s LYS 29 N -3.19 1.79 0.46 1.13 -0.14 -0.68 -4.98 119.74 114.12 2dnc s LYS 29 Ca 0.07 -1.83 0.06 0.00 -1.36 0.00 0.00 55.97 52.91 2dnc s LYS 29 Cb 0.08 -1.77 -0.02 0.00 -1.68 0.00 0.00 37.83 34.44 2dnc s LYS 29 CO 0.66 0.24 0.23 0.15 -0.76 0.00 0.00 175.35 175.87 2dnc s LYS 30 N -3.57 2.25 -0.02 1.68 -0.14 -1.26 -5.03 119.74 113.65 2dnc s LYS 30 Ca 0.31 -1.93 -0.30 0.00 -1.36 0.00 0.00 55.97 52.69 2dnc s LYS 30 Cb -0.01 -1.98 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 2dnc s LYS 30 CO 0.16 -0.28 1.07 -1.21 -0.76 0.00 0.00 175.35 174.33 2dnc s GLU 31 N -4.01 4.47 0.00 1.68 2.02 -1.26 -2.84 118.70 118.76 2dnc s GLU 31 Ca 0.35 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.87 2dnc s GLU 31 Cb 0.02 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.78 2dnc s GLU 31 CO 0.20 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.68 2dnc n GLY 32 N 3.08 0.40 3.86 -1.39 0.00 0.15 -5.01 105.19 106.27 2dnc n GLY 32 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2dnc n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 33 N -0.87 3.80 0.81 1.61 2.02 -1.13 -4.62 118.70 120.32 2dnc s GLU 33 Ca 0.00 0.79 -0.12 0.00 0.02 0.00 0.00 54.97 55.66 2dnc s GLU 33 Cb 0.00 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 32.14 2dnc s GLU 33 CO 0.00 -0.32 1.12 0.00 0.02 0.00 0.00 175.26 176.08 2dnc s ALA 34 N -2.75 2.31 -0.01 5.21 0.00 -1.26 0.12 121.76 125.38 2dnc s ALA 34 Ca 0.56 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2dnc s ALA 34 Cb -0.10 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 2dnc s ALA 34 CO 0.38 -1.74 0.06 0.08 0.00 0.00 0.00 175.76 174.54 2dnc s VAL 35 N -3.28 0.04 -0.00 0.00 1.01 0.50 -4.69 120.40 113.98 2dnc s VAL 35 Ca 0.61 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2dnc s VAL 35 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2dnc s VAL 35 CO 0.53 -0.19 -0.12 -0.44 0.00 0.00 0.00 175.10 174.89 2dnc s SER 36 N -0.57 1.36 0.20 3.32 0.01 -1.26 -1.59 113.70 115.17 2dnc s SER 36 Ca -0.06 -0.24 -0.32 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 36 Cb -0.04 -0.14 -0.12 0.00 0.21 0.00 0.00 66.02 65.93 2dnc s SER 36 CO 0.00 0.12 1.68 0.00 0.41 0.00 0.00 173.24 175.45 2dnc n ALA 37 N 2.66 2.45 0.00 1.44 0.00 -1.25 -1.51 120.51 124.29 2dnc n ALA 37 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2dnc n ALA 37 Cb 0.56 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2dnc n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dnc n GLY 38 N 3.71 3.09 3.76 0.00 0.00 -0.43 -4.92 105.19 110.40 2dnc n GLY 38 Ca 0.16 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2dnc n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnc s ASP 39 N 0.09 5.77 0.23 1.61 1.11 -0.57 -4.45 116.67 120.46 2dnc s ASP 39 Ca 0.00 2.79 -0.30 0.00 0.18 0.00 0.00 52.55 55.22 2dnc s ASP 39 Cb 0.00 -2.64 -0.09 0.00 1.07 0.00 0.00 42.92 41.26 2dnc s ASP 39 CO 0.00 -1.23 1.10 0.00 1.18 0.00 0.00 175.17 176.21 2dnc s ALA 40 N -1.27 3.39 -0.21 5.23 0.00 -1.26 -0.18 121.76 127.46 2dnc s ALA 40 Ca 0.64 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.31 2dnc s ALA 40 Cb -0.41 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.29 2dnc s ALA 40 CO 0.51 -0.17 -0.32 1.28 0.00 0.00 0.00 175.76 177.06 2dnc n LEU 41 N 1.81 1.78 -4.05 0.00 4.77 0.41 -4.66 117.00 117.06 2dnc n LEU 41 Ca 0.01 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2dnc n LEU 41 Cb 0.45 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 2dnc n LEU 41 CO 0.54 0.20 0.13 0.00 -1.33 0.00 0.00 177.39 176.92 2dnc s GLU 43 N -3.58 3.76 0.02 0.00 2.02 -0.60 0.16 118.70 120.47 2dnc s GLU 43 Ca 0.27 -0.43 -0.05 0.00 0.02 0.00 0.00 54.97 54.78 2dnc s GLU 43 Cb 0.00 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 2dnc s GLU 43 CO 0.14 -0.10 0.25 0.42 0.02 0.00 0.00 175.26 175.99 2dnc s ILE 44 N 1.41 5.33 -0.18 -1.63 -1.09 -0.08 0.37 121.20 125.32 2dnc s ILE 44 Ca 0.06 0.03 -0.09 0.00 -2.23 0.00 0.00 60.65 58.42 2dnc s ILE 44 Cb -0.15 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2dnc s ILE 44 CO 0.04 0.31 0.12 -0.70 -1.23 0.00 0.00 174.94 173.49 2dnc s GLU 45 N -1.94 4.02 0.02 2.79 2.12 -0.14 -2.04 118.70 123.53 2dnc s GLU 45 Ca 0.29 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.41 2dnc s GLU 45 Cb -0.13 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2dnc s GLU 45 CO 0.18 0.39 -0.04 0.95 -0.54 0.00 0.00 175.26 176.20 2dnc s THR 46 N 0.10 0.24 0.43 -1.70 -4.23 -1.10 -3.59 115.64 105.78 2dnc s THR 46 Ca 0.09 -0.62 0.19 0.00 -1.18 0.00 0.00 61.69 60.17 2dnc s THR 46 Cb -0.11 -0.30 0.39 0.00 1.34 0.00 0.00 72.50 73.82 2dnc s THR 46 CO -0.01 -0.25 1.84 0.44 -0.54 0.00 0.00 174.62 176.11 2dnc h ASP 47 N 5.20 0.37 0.30 3.99 5.19 -1.98 -1.93 116.42 127.57 2dnc h ASP 47 Ca -0.30 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2dnc h ASP 47 Cb 1.21 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2dnc h ASP 47 CO 0.45 0.14 -0.16 0.50 -3.12 0.00 0.00 179.24 177.04 2dnc h LYS 48 N 0.37 -0.41 0.00 3.56 3.64 -2.01 -3.49 116.57 118.23 2dnc h LYS 48 Ca 0.49 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 2dnc h LYS 48 Cb 1.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2dnc h LYS 48 CO -0.18 -0.28 0.00 0.00 -2.27 0.00 0.00 179.45 176.73 2dnc n ALA 49 N -2.26 0.00 -2.61 5.00 0.00 -0.73 -5.12 120.51 114.79 2dnc n ALA 49 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2dnc n ALA 49 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2dnc n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnc s VAL 50 N -2.55 4.56 0.35 0.00 0.11 -1.26 -2.72 120.40 118.89 2dnc s VAL 50 Ca 0.00 1.35 0.08 0.00 -2.93 0.00 0.00 61.98 60.48 2dnc s VAL 50 Cb 0.00 -4.36 -0.05 0.00 -1.53 0.00 0.00 36.38 30.45 2dnc s VAL 50 CO 0.00 -0.52 0.12 0.68 -3.33 0.00 0.00 175.10 172.05 2dnc s VAL 51 N 3.53 2.82 0.00 2.04 -7.23 -0.86 -5.03 120.40 115.67 2dnc s VAL 51 Ca 0.40 -1.76 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 2dnc s VAL 51 Cb -0.12 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2dnc s VAL 51 CO 0.18 -0.16 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.69 2dnc s THR 52 N -2.47 1.86 -0.34 5.32 2.01 -1.26 -0.91 115.64 119.85 2dnc s THR 52 Ca 0.38 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 2dnc s THR 52 Cb -0.01 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.95 2dnc s THR 52 CO 0.22 0.45 0.80 -0.22 -0.69 0.00 0.00 174.62 175.18 2dnc s LEU 53 N -0.75 4.09 0.13 4.42 0.20 0.43 -4.81 118.68 122.40 2dnc s LEU 53 Ca 0.09 0.53 -0.08 0.00 0.69 0.00 0.00 54.13 55.36 2dnc s LEU 53 Cb -0.09 -3.08 -0.06 0.00 -0.43 0.00 0.00 46.19 42.53 2dnc s LEU 53 CO -0.00 -0.69 0.42 1.51 -0.29 0.00 0.00 176.35 177.30 2dnc s ASP 54 N 1.74 6.58 0.33 3.68 1.47 -1.26 0.15 116.67 129.36 2dnc s ASP 54 Ca 0.33 0.73 -0.28 0.00 1.18 0.00 0.00 52.55 54.51 2dnc s ASP 54 Cb -0.13 -2.15 -0.09 0.00 -0.34 0.00 0.00 42.92 40.20 2dnc s ASP 54 CO 0.15 0.07 1.15 0.00 0.68 0.00 0.00 175.17 177.22 2dnc s ALA 55 N -1.59 3.33 -0.14 2.11 0.00 0.75 -4.83 121.76 121.40 2dnc s ALA 55 Ca 0.39 0.96 0.11 0.00 0.00 0.00 0.00 51.96 53.42 2dnc s ALA 55 Cb -0.13 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 2dnc s ALA 55 CO 0.21 -0.34 0.30 0.45 0.00 0.00 0.00 175.76 176.38 2dnc n SER 56 N 0.74 0.82 -4.25 0.00 2.88 -1.26 -1.32 113.62 111.23 2dnc n SER 56 Ca 0.01 0.17 -0.14 0.00 -1.33 0.00 0.00 58.87 57.58 2dnc n SER 56 Cb 0.45 0.20 -0.10 0.00 -0.75 0.00 0.00 64.21 64.01 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dnc s ASP 57 N -6.02 1.20 -0.26 -3.46 1.11 -1.26 -4.76 116.67 103.21 2dnc s ASP 57 Ca -0.12 -1.20 -0.12 0.00 0.18 0.00 0.00 52.55 51.29 2dnc s ASP 57 Cb 0.07 0.13 -0.05 0.00 1.07 0.00 0.00 42.92 44.14 2dnc s ASP 57 CO 0.79 -0.59 0.22 -1.81 1.18 0.00 0.00 175.17 174.97 2dnc s ASP 58 N -3.19 6.11 0.17 0.27 1.11 -1.26 -3.92 116.67 115.97 2dnc s ASP 58 Ca 0.26 0.11 -0.20 0.00 0.18 0.00 0.00 52.55 52.90 2dnc s ASP 58 Cb 0.06 -2.14 0.07 0.00 1.07 0.00 0.00 42.92 41.99 2dnc s ASP 58 CO 0.05 -0.03 0.95 0.61 1.18 0.00 0.00 175.17 177.93 2dnc n GLY 59 N 4.68 0.66 3.80 0.21 0.00 -0.62 -4.65 105.19 109.26 2dnc n GLY 59 Ca -0.13 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 2dnc n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dnc s ILE 60 N -2.10 5.18 -0.91 -0.61 -1.09 0.47 0.19 121.20 122.33 2dnc s ILE 60 Ca 0.21 0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 59.08 2dnc s ILE 60 Cb -0.03 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.11 2dnc s ILE 60 CO 0.05 0.51 2.07 -0.22 -1.23 0.00 0.00 174.94 176.12 2dnc s LEU 61 N -0.52 3.04 0.09 2.97 0.20 0.33 -0.32 118.68 124.48 2dnc s LEU 61 Ca 0.21 -0.61 -0.30 0.00 0.69 0.00 0.00 54.13 54.12 2dnc s LEU 61 Cb -0.15 -2.56 -0.13 0.00 -0.43 0.00 0.00 46.19 42.92 2dnc s LEU 61 CO 0.09 -3.16 1.49 0.00 -0.29 0.00 0.00 176.35 174.49 2dnc h ALA 62 N 11.49 -0.93 -2.93 5.97 0.00 0.16 0.43 119.26 133.46 2dnc h ALA 62 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2dnc h ALA 62 Cb 1.00 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 2dnc h ALA 62 CO 1.15 -1.05 0.02 -1.59 0.00 0.00 0.00 179.25 177.78 2dnc s LYS 63 N -5.42 1.88 -0.67 0.00 -2.85 -0.83 -4.39 119.74 107.47 2dnc s LYS 63 Ca -0.14 -1.41 0.05 0.00 -1.00 0.00 0.00 55.97 53.47 2dnc s LYS 63 Cb 0.05 0.53 0.17 0.00 -2.06 0.00 0.00 37.83 36.52 2dnc s LYS 63 CO 0.53 -0.83 0.46 0.42 0.10 0.00 0.00 175.35 176.04 2dnc s ILE 64 N -3.24 2.71 0.17 3.79 1.01 -1.26 -0.92 121.20 123.46 2dnc s ILE 64 Ca 0.21 -4.10 -0.23 0.00 0.00 0.00 0.00 60.65 56.54 2dnc s ILE 64 Cb -0.03 -2.79 0.06 0.00 0.01 0.00 0.00 42.46 39.71 2dnc s ILE 64 CO 0.13 -1.00 1.39 0.52 0.00 0.00 0.00 174.94 175.98 2dnc n VAL 65 N 2.12 -0.55 -3.90 2.92 0.31 0.74 -3.79 118.33 116.18 2dnc n VAL 65 Ca 0.19 2.15 -0.35 0.00 -0.01 0.00 0.00 64.34 66.32 2dnc n VAL 65 Cb 0.35 -2.74 -0.14 0.00 -0.91 0.00 0.00 33.84 30.41 2dnc n VAL 65 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dnc s VAL 66 N -5.63 3.38 0.89 2.52 1.01 0.20 -4.94 120.40 117.83 2dnc s VAL 66 Ca -0.12 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2dnc s VAL 66 Cb 0.14 -2.58 0.21 0.00 0.00 0.00 0.00 36.38 34.14 2dnc s VAL 66 CO 0.60 0.35 1.17 -0.62 0.00 0.00 0.00 175.10 176.60 2dnc n GLU 67 N 4.79 -1.31 -1.26 2.72 -0.58 -1.25 -4.76 120.64 118.99 2dnc n GLU 67 Ca -0.18 -1.81 -0.30 0.00 -0.42 0.00 0.00 57.16 54.46 2dnc n GLU 67 Cb 0.50 -1.24 0.12 0.00 -0.57 0.00 0.00 31.44 30.25 2dnc n GLU 67 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dnc s GLU 68 N -5.56 1.55 0.00 3.49 -1.05 -1.26 -3.43 118.70 112.45 2dnc s GLU 68 Ca 0.67 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.35 2dnc s GLU 68 Cb -0.02 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.83 2dnc s GLU 68 CO 0.47 -2.05 0.00 0.41 0.95 0.00 0.00 175.26 175.05 2dnc n GLY 69 N -1.27 1.34 3.62 -3.83 0.00 0.14 -4.97 105.19 100.21 2dnc n GLY 69 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2dnc n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 70 N -3.15 6.52 0.50 1.61 0.01 -1.19 -4.91 113.70 113.08 2dnc s SER 70 Ca 0.00 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.37 2dnc s SER 70 Cb 0.00 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2dnc s SER 70 CO 0.00 -1.24 0.70 -0.54 0.41 0.00 0.00 173.24 172.58 2dnc s LYS 71 N 4.51 2.73 -0.71 12.44 -0.14 -1.26 -1.36 119.74 135.95 2dnc s LYS 71 Ca 0.59 -0.82 -0.07 0.00 -1.36 0.00 0.00 55.97 54.31 2dnc s LYS 71 Cb -0.16 -2.57 0.01 0.00 -1.68 0.00 0.00 37.83 33.43 2dnc s LYS 71 CO 0.27 -0.51 0.64 0.09 -0.76 0.00 0.00 175.35 175.09 2dnc n ASN 72 N -2.17 -6.22 -4.17 2.83 3.02 -0.84 -4.91 115.26 102.81 2dnc n ASN 72 Ca 0.06 -0.41 -0.39 0.00 -0.03 0.00 0.00 54.58 53.81 2dnc n ASN 72 Cb 0.59 -3.23 -0.07 0.00 -0.61 0.00 0.00 39.78 36.46 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dnc s ILE 73 N -2.74 4.43 1.11 2.41 -1.09 0.51 -4.85 121.20 120.98 2dnc s ILE 73 Ca 0.08 -3.09 -0.14 0.00 -2.23 0.00 0.00 60.65 55.27 2dnc s ILE 73 Cb -0.01 -3.79 0.20 0.00 -1.58 0.00 0.00 42.46 37.27 2dnc s ILE 73 CO 0.83 -0.98 0.66 0.54 -1.23 0.00 0.00 174.94 174.77 2dnc n ARG 74 N 3.28 -1.79 -1.87 2.79 1.74 -1.26 -0.30 116.66 119.26 2dnc n ARG 74 Ca 0.13 -0.49 -0.32 0.00 -0.77 0.00 0.00 57.85 56.41 2dnc n ARG 74 Cb 0.40 -2.02 0.02 0.00 -1.02 0.00 0.00 32.46 29.84 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnc s LEU 75 N -4.77 3.33 -1.12 0.55 1.43 -1.20 -3.76 118.68 113.14 2dnc s LEU 75 Ca 0.63 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 2dnc s LEU 75 Cb -0.21 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2dnc s LEU 75 CO 0.65 -1.18 0.42 0.61 0.23 0.00 0.00 176.35 177.08 2dnc n GLY 76 N -1.68 -0.18 3.39 -3.19 0.00 -1.22 -4.90 105.19 97.40 2dnc n GLY 76 Ca 0.08 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2dnc n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 77 N -2.77 4.19 -0.18 1.61 0.01 -1.25 -4.85 113.70 110.47 2dnc s SER 77 Ca 0.21 -0.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 2dnc s SER 77 Cb -0.09 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 2dnc s SER 77 CO 0.26 0.15 1.51 -0.76 0.41 0.00 0.00 173.24 174.80 2dnc s LEU 78 N 0.46 4.06 -0.04 2.44 1.43 -1.26 -2.06 118.68 123.71 2dnc s LEU 78 Ca -0.08 1.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.85 2dnc s LEU 78 Cb -0.15 -3.53 -0.14 0.00 0.03 0.00 0.00 46.19 42.39 2dnc s LEU 78 CO 0.04 -1.04 0.15 2.30 0.23 0.00 0.00 176.35 178.03 2dnc n ILE 79 N 5.92 0.23 -3.51 -0.59 -5.35 -0.18 -3.77 119.36 112.12 2dnc n ILE 79 Ca 0.17 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 2dnc n ILE 79 Cb 0.45 -0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.20 2dnc n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2dnc s GLY 80 N -3.50 -0.50 -0.12 3.28 0.00 -1.23 -0.19 107.32 105.07 2dnc s GLY 80 Ca -0.04 1.26 0.03 0.00 0.00 0.00 0.00 44.72 45.97 2dnc s GLY 80 CO 0.40 0.70 -0.22 -2.27 0.00 0.00 0.00 173.10 171.71 2dnc s LEU 81 N -1.72 2.19 0.12 0.66 1.98 -0.10 0.14 118.68 121.96 2dnc s LEU 81 Ca -0.04 -0.54 0.02 0.00 -2.89 0.00 0.00 54.13 50.68 2dnc s LEU 81 Cb -0.00 -1.45 -0.04 0.00 0.66 0.00 0.00 46.19 45.36 2dnc s LEU 81 CO 0.00 0.14 0.24 -0.63 -1.89 0.00 0.00 176.35 174.21 2dnc s ILE 82 N 0.47 5.25 -0.02 6.68 1.01 0.38 0.18 121.20 135.16 2dnc s ILE 82 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2dnc s ILE 82 Cb -0.17 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2dnc s ILE 82 CO 0.06 -0.02 0.02 0.68 0.00 0.00 0.00 174.94 175.68 2dnc s VAL 83 N -1.66 0.00 -0.36 2.92 -7.23 0.56 -0.36 120.40 114.27 2dnc s VAL 83 Ca 0.34 0.16 -0.42 0.00 -1.81 0.00 0.00 61.98 60.25 2dnc s VAL 83 Cb -0.12 -0.11 -0.19 0.00 0.56 0.00 0.00 36.38 36.53 2dnc s VAL 83 CO 0.28 0.09 1.38 -0.62 -0.31 0.00 0.00 175.10 175.92 2dnc n GLU 84 N 4.01 0.00 -1.66 4.82 1.02 -1.26 -0.40 120.64 127.18 2dnc n GLU 84 Ca -0.25 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.27 2dnc n GLU 84 Cb 0.51 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 2dnc n GLU 84 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dnc n GLU 85 N 3.20 0.35 0.00 3.49 1.02 -1.26 -1.51 120.64 125.92 2dnc n GLU 85 Ca 0.27 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2dnc n GLU 85 Cb -0.03 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dnc n GLY 86 N 3.21 2.99 3.49 0.62 0.00 -1.26 -5.01 105.19 109.22 2dnc n GLY 86 Ca 0.26 -0.84 -0.56 0.00 0.00 0.00 0.00 46.02 44.87 2dnc n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dnc n GLU 87 N 0.00 0.07 -1.63 1.61 2.13 -0.57 -4.62 120.64 117.63 2dnc n GLU 87 Ca 0.00 0.03 -0.15 0.00 0.66 0.00 0.00 57.16 57.69 2dnc n GLU 87 Cb 0.00 -1.43 -0.10 0.00 0.27 0.00 0.00 31.44 30.18 2dnc n GLU 87 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2dnc s ASP 88 N -0.18 3.67 0.24 4.31 1.47 -1.26 -4.71 116.67 120.21 2dnc s ASP 88 Ca 0.85 -0.73 -0.08 0.00 1.18 0.00 0.00 52.55 53.77 2dnc s ASP 88 Cb -1.18 -2.58 0.39 0.00 -0.34 0.00 0.00 42.92 39.20 2dnc s ASP 88 CO 0.56 -4.40 1.64 4.11 0.68 0.00 0.00 175.17 177.76 2dnc h TRP 89 N 11.80 -0.09 -2.06 2.11 5.08 -1.94 -3.39 115.95 127.45 2dnc h TRP 89 Ca 0.02 0.05 -0.62 0.00 1.08 0.00 0.00 58.89 59.43 2dnc h TRP 89 Cb 0.99 0.15 0.05 0.00 -3.00 0.00 0.00 29.16 27.36 2dnc h TRP 89 CO 1.07 -0.23 0.73 1.17 -1.28 0.00 0.00 178.44 179.90 2dnc n LYS 90 N -5.35 1.83 -0.94 0.12 4.81 -1.26 -4.93 118.16 112.44 2dnc n LYS 90 Ca 0.12 0.66 -0.28 0.00 -0.87 0.00 0.00 58.31 57.94 2dnc n LYS 90 Cb 0.44 -2.40 0.21 0.00 0.02 0.00 0.00 35.03 33.30 2dnc n LYS 90 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2dnc s HIS 91 N 1.18 1.73 0.03 5.64 2.46 -1.26 -4.72 115.29 120.34 2dnc s HIS 91 Ca 0.82 0.99 0.00 0.00 0.47 0.00 0.00 55.06 57.35 2dnc s HIS 91 Cb -0.77 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 2dnc s HIS 91 CO 0.43 -3.36 0.00 0.28 -2.47 0.00 0.00 174.74 169.62 2dnc n VAL 92 N -4.51-13.38 -4.56 0.89 0.31 -1.26 -5.00 118.33 90.81 2dnc n VAL 92 Ca 0.05 3.16 -0.34 0.00 -0.01 0.00 0.00 64.34 67.20 2dnc n VAL 92 Cb 0.57 -6.06 -0.11 0.00 -0.91 0.00 0.00 33.84 27.33 2dnc n VAL 92 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dnc s SER 93 N -0.59 4.78 0.00 4.52 0.15 -1.26 -5.11 113.70 116.20 2dnc s SER 93 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dnc s SER 93 Cb 0.00 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2dnc s SER 93 CO 0.00 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2dnc n GLY 94 N 2.17 5.67 3.57 9.45 0.00 -1.26 -5.05 105.19 119.75 2dnc n GLY 94 Ca -0.18 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2dnc n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnc s PRO 95 N 1.38 3.18 -0.38 1.61 0.04 -1.26 -4.90 135.00 134.68 2dnc s PRO 95 Ca 0.00 -1.24 -0.05 0.00 0.04 0.00 0.00 61.00 59.75 2dnc s PRO 95 Cb 0.00 -5.32 0.08 0.00 0.04 0.00 0.00 34.50 29.29 2dnc s PRO 95 CO 0.00 -2.98 0.17 0.45 0.04 0.00 0.00 177.00 174.68 2dnc s SER 96 N 5.79 5.32 -0.18 6.66 0.15 -1.26 -4.94 113.70 125.25 2dnc s SER 96 Ca 0.60 -1.55 -0.15 0.00 0.70 0.00 0.00 55.95 55.55 2dnc s SER 96 Cb -0.00 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.37 2dnc s SER 96 CO 0.04 -0.45 -0.24 -1.20 1.20 0.00 0.00 173.24 172.60 2dnc n SER 97 N 4.75 1.88 -0.00 5.45 7.64 -1.26 -5.26 113.62 126.82 2dnc n SER 97 Ca -0.09 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2dnc n SER 97 Cb 0.43 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64