#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc s SER 2 N 0.00 5.26 0.26 1.61 1.04 -1.26 -5.02 113.70 115.60 2dnc s SER 2 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2dnc s SER 2 Cb 0.00 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.85 2dnc s SER 2 CO 0.00 -0.00 0.00 -1.20 0.98 0.00 0.00 173.24 173.02 2dnc n SER 3 N -0.91 -0.77 0.00 7.02 7.64 -1.26 -5.18 113.62 120.17 2dnc n SER 3 Ca -0.08 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2dnc n SER 3 Cb 0.57 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 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 0.95 2.99 3.39 0.23 0.00 -1.26 -5.13 105.19 106.36 2dnc n GLY 4 Ca 0.00 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 2dnc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 5 N 0.00 2.49 -0.52 1.61 0.15 -1.26 -5.11 113.70 111.06 2dnc s SER 5 Ca 0.00 -1.18 -0.17 0.00 0.70 0.00 0.00 55.95 55.30 2dnc s SER 5 Cb 0.00 -0.12 0.09 0.00 -1.71 0.00 0.00 66.02 64.28 2dnc s SER 5 CO 0.00 -0.37 0.53 -0.55 1.20 0.00 0.00 173.24 174.05 2dnc s SER 6 N -3.39 6.18 0.00 5.45 0.15 -1.26 -4.97 113.70 115.87 2dnc s SER 6 Ca 0.28 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2dnc s SER 6 Cb 0.04 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dnc s SER 6 CO 0.10 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.31 2dnc n GLY 7 N 5.22 -0.35 3.35 9.45 0.00 -1.26 -5.00 105.19 116.61 2dnc n GLY 7 Ca -0.11 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 4.41 -0.11 -0.61 1.01 -0.64 -4.95 121.20 118.31 2dnc s ILE 8 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 2dnc s ILE 8 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 2dnc s ILE 8 CO 0.00 -0.23 0.95 -1.59 0.00 0.00 0.00 174.94 174.08 2dnc s LYS 9 N 1.52 4.40 -0.51 2.79 -2.85 -1.26 -0.02 119.74 123.82 2dnc s LYS 9 Ca 0.01 1.29 -0.22 0.00 -1.00 0.00 0.00 55.97 56.05 2dnc s LYS 9 Cb -0.19 -3.54 0.04 0.00 -2.06 0.00 0.00 37.83 32.08 2dnc s LYS 9 CO 0.06 -0.29 0.78 0.42 0.10 0.00 0.00 175.35 176.42 2dnc s ILE 10 N 1.93 4.64 -0.05 3.79 1.01 0.14 -4.98 121.20 127.68 2dnc s ILE 10 Ca 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 2dnc s ILE 10 Cb -0.18 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2dnc s ILE 10 CO 0.17 -0.89 0.14 -0.76 0.00 0.00 0.00 174.94 173.61 2dnc s LEU 11 N 3.29 4.25 -0.27 2.97 1.43 -1.26 -1.22 118.68 127.87 2dnc s LEU 11 Ca 0.25 0.34 -0.34 0.00 -1.03 0.00 0.00 54.13 53.35 2dnc s LEU 11 Cb -0.15 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.65 2dnc s LEU 11 CO 0.18 0.32 2.12 0.80 0.23 0.00 0.00 176.35 179.99 2dnc n MET 12 N 1.42 1.44 -2.26 1.70 0.00 -0.97 -4.86 117.12 113.59 2dnc n MET 12 Ca -0.15 0.43 -0.33 0.00 -0.00 0.00 0.00 57.70 57.65 2dnc n MET 12 Cb 0.53 -2.62 -0.01 0.00 0.00 0.00 0.00 33.22 31.13 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 5.71 3.56 -1.17 2.12 0.04 -1.26 -3.70 135.00 140.30 2dnc s PRO 13 Ca 1.04 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 2dnc s PRO 13 Cb -0.74 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 31.60 2dnc s PRO 13 CO 0.48 -0.62 3.09 0.43 0.04 0.00 0.00 177.00 180.42 2dnc n SER 14 N -1.60 7.66 -0.31 6.66 7.64 -1.26 -4.67 113.62 127.75 2dnc n SER 14 Ca 0.09 -2.53 0.02 0.00 1.01 0.00 0.00 58.87 57.45 2dnc n SER 14 Cb 0.53 -1.50 0.08 0.00 -1.01 0.00 0.00 64.21 62.32 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dnc h LEU 15 N 6.53 -1.00-10.35 -3.43 3.38 -1.94 -3.39 115.31 105.10 2dnc h LEU 15 Ca 0.68 0.27 -0.49 0.00 0.09 0.00 0.00 57.88 58.43 2dnc h LEU 15 Cb 0.59 0.60 0.05 0.00 0.09 0.00 0.00 40.66 41.98 2dnc h LEU 15 CO 1.37 -0.29 0.20 -0.55 0.09 0.00 0.00 178.44 179.26 2dnc s SER 16 N -5.26 6.03 0.21 -0.43 0.15 -1.26 -4.99 113.70 108.15 2dnc s SER 16 Ca -0.15 0.97 0.08 0.00 0.70 0.00 0.00 55.95 57.55 2dnc s SER 16 Cb 0.22 -2.12 0.13 0.00 -1.71 0.00 0.00 66.02 62.54 2dnc s SER 16 CO 0.74 -0.81 1.48 1.55 1.20 0.00 0.00 173.24 177.41 2dnc h PRO 17 N -0.03 0.05 -2.01 5.44 0.13 -2.02 -3.36 132.00 130.20 2dnc h PRO 17 Ca -0.46 -0.05 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 2dnc h PRO 17 Cb 1.22 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 2dnc h PRO 17 CO 0.62 0.79 -1.16 0.25 -0.23 0.00 0.00 178.00 178.26 2dnc n THR 18 N -3.66 -0.16 -3.72 1.56 -2.24 -1.26 -5.07 114.28 99.74 2dnc n THR 18 Ca -0.01 -4.51 -0.38 0.00 -2.27 0.00 0.00 64.05 56.87 2dnc n THR 18 Cb 0.74 -0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.23 2.59 0.35 -0.78 0.00 -1.26 -4.94 119.30 113.03 2dnc s MET 19 Ca 0.39 -1.27 0.13 0.00 0.00 0.00 0.00 55.69 54.94 2dnc s MET 19 Cb 0.31 -3.55 0.66 0.00 0.00 0.00 0.00 34.83 32.26 2dnc s MET 19 CO -0.09 -0.75 1.78 0.93 0.00 0.00 0.00 175.02 176.89 2dnc h GLU 20 N 8.26 0.00 -2.80 4.11 3.07 -1.96 -3.45 114.58 121.80 2dnc h GLU 20 Ca -0.23 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2dnc h GLU 20 Cb 1.08 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.91 2dnc h GLU 20 CO 0.64 0.42 0.30 -1.83 -1.40 0.00 0.00 179.01 177.15 2dnc s GLU 21 N -4.03 1.47 0.00 2.33 -1.05 -1.26 -3.27 118.70 112.89 2dnc s GLU 21 Ca -0.02 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 2dnc s GLU 21 Cb 0.14 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 2dnc s GLU 21 CO 0.73 -0.67 0.00 0.41 0.95 0.00 0.00 175.26 176.68 2dnc n GLY 22 N -0.43 4.98 3.05 -3.83 0.00 0.13 -4.77 105.19 104.32 2dnc n GLY 22 Ca -0.08 -1.95 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.39 -0.69 -0.38 1.61 0.01 -1.13 0.19 114.94 114.16 2dnc s ASN 23 Ca 0.00 0.49 -0.28 0.00 -0.71 0.00 0.00 52.86 52.36 2dnc s ASN 23 Cb 0.00 1.70 -0.02 0.00 0.41 0.00 0.00 41.25 43.34 2dnc s ASN 23 CO 0.00 -0.28 1.80 -0.63 -1.51 0.00 0.00 177.10 176.48 2dnc s ILE 24 N 2.72 3.47 -0.01 0.60 1.09 -0.88 -0.07 121.20 128.12 2dnc s ILE 24 Ca 0.16 0.45 -0.20 0.00 -1.10 0.00 0.00 60.65 59.97 2dnc s ILE 24 Cb -0.15 -3.70 -0.11 0.00 -1.06 0.00 0.00 42.46 37.45 2dnc s ILE 24 CO -0.20 -0.49 0.84 0.58 -0.10 0.00 0.00 174.94 175.57 2dnc h VAL 25 N 6.82 0.00 -3.02 2.92 2.07 -0.52 -1.92 116.25 122.60 2dnc h VAL 25 Ca -0.32 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 2dnc h VAL 25 Cb 1.17 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.76 2dnc h VAL 25 CO 1.06 0.00 -0.15 -0.75 0.02 0.00 0.00 177.57 177.75 2dnc s LYS 26 N -3.87 0.85 -0.21 1.57 2.20 -1.26 -3.31 119.74 115.71 2dnc s LYS 26 Ca -0.10 -0.32 -0.17 0.00 -0.36 0.00 0.00 55.97 55.02 2dnc s LYS 26 Cb 0.01 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2dnc s LYS 26 CO 0.31 -0.27 0.48 -1.58 -0.36 0.00 0.00 175.35 173.92 2dnc s TRP 27 N -2.15 3.35 -0.13 4.03 0.52 -1.26 -1.38 118.94 121.90 2dnc s TRP 27 Ca -0.07 0.69 0.22 0.00 0.02 0.00 0.00 56.10 56.95 2dnc s TRP 27 Cb -0.02 -2.64 0.54 0.00 -1.15 0.00 0.00 33.47 30.20 2dnc s TRP 27 CO -0.00 -0.12 1.66 -0.07 0.02 0.00 0.00 176.95 178.44 2dnc h LEU 28 N 8.05 0.00 -9.74 2.99 3.38 0.11 -3.45 115.31 116.64 2dnc h LEU 28 Ca -0.33 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.07 2dnc h LEU 28 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 2dnc h LEU 28 CO 0.72 0.21 -0.56 -0.54 0.09 0.00 0.00 178.44 178.37 2dnc s LYS 29 N -3.31 2.21 0.33 1.13 1.02 -0.93 -5.01 119.74 115.18 2dnc s LYS 29 Ca 0.04 -1.72 0.10 0.00 0.02 0.00 0.00 55.97 54.41 2dnc s LYS 29 Cb 0.08 -2.01 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 2dnc s LYS 29 CO 0.67 0.06 -0.06 0.15 -0.92 0.00 0.00 175.35 175.25 2dnc s LYS 30 N -3.80 1.96 -0.20 1.68 1.02 -1.26 -5.05 119.74 114.08 2dnc s LYS 30 Ca 0.37 -1.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 2dnc s LYS 30 Cb 0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 2dnc s LYS 30 CO 0.21 0.19 1.61 -1.21 -0.92 0.00 0.00 175.35 175.23 2dnc s GLU 31 N -3.65 3.83 0.00 1.68 2.02 -1.26 -1.86 118.70 119.47 2dnc s GLU 31 Ca 0.33 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.03 2dnc s GLU 31 Cb -0.01 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.20 2dnc s GLU 31 CO 0.18 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.62 2dnc n GLY 32 N 4.59 2.09 3.82 -1.39 0.00 0.18 -5.02 105.19 109.47 2dnc n GLY 32 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.31 2.35 0.62 1.61 2.02 -0.77 -4.59 118.70 119.63 2dnc s GLU 33 Ca 0.00 0.67 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 2dnc s GLU 33 Cb 0.00 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.30 2dnc s GLU 33 CO 0.00 -1.44 0.93 0.00 0.02 0.00 0.00 175.26 174.77 2dnc s ALA 34 N -3.17 3.27 -0.01 5.21 0.00 -1.26 0.12 121.76 125.92 2dnc s ALA 34 Ca 0.60 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 2dnc s ALA 34 Cb -0.14 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 2dnc s ALA 34 CO 0.54 -0.91 0.06 0.08 0.00 0.00 0.00 175.76 175.53 2dnc s VAL 35 N -3.05 0.04 -0.03 0.00 1.01 0.33 -4.73 120.40 113.98 2dnc s VAL 35 Ca 0.55 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2dnc s VAL 35 Cb -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2dnc s VAL 35 CO 0.45 -0.18 -0.10 -0.44 0.00 0.00 0.00 175.10 174.83 2dnc s SER 36 N -0.55 1.37 0.14 3.32 0.01 -1.26 -1.09 113.70 115.64 2dnc s SER 36 Ca -0.06 -0.22 -0.35 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 36 Cb -0.04 -0.36 -0.15 0.00 0.21 0.00 0.00 66.02 65.68 2dnc s SER 36 CO 0.00 0.08 1.47 0.00 0.41 0.00 0.00 173.24 175.20 2dnc n ALA 37 N 3.25 0.40 0.00 1.44 0.00 -1.23 -0.86 120.51 123.50 2dnc n ALA 37 Ca -0.18 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2dnc n ALA 37 Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.98 3.10 3.74 0.00 0.00 0.58 -4.91 105.19 110.67 2dnc n GLY 38 Ca 0.17 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 0.04 4.95 0.21 1.61 1.11 -0.04 -4.44 116.67 120.11 2dnc s ASP 39 Ca 0.00 2.63 -0.30 0.00 0.18 0.00 0.00 52.55 55.06 2dnc s ASP 39 Cb 0.00 -2.62 -0.08 0.00 1.07 0.00 0.00 42.92 41.29 2dnc s ASP 39 CO 0.00 -1.77 1.06 0.00 1.18 0.00 0.00 175.17 175.64 2dnc s ALA 40 N -1.39 3.37 -0.21 5.23 0.00 -1.26 -0.29 121.76 127.20 2dnc s ALA 40 Ca 0.78 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 2dnc s ALA 40 Cb -0.37 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2dnc s ALA 40 CO 0.41 -0.11 -0.32 1.28 0.00 0.00 0.00 175.76 177.03 2dnc n LEU 41 N 1.90 1.77 -3.97 0.00 4.77 0.14 -4.70 117.00 116.92 2dnc n LEU 41 Ca 0.01 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2dnc n LEU 41 Cb 0.46 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2dnc n LEU 41 CO 0.53 0.22 0.28 0.00 -1.33 0.00 0.00 177.39 177.09 2dnc s GLU 43 N -3.24 3.52 -0.10 0.00 2.02 -0.48 0.69 118.70 121.12 2dnc s GLU 43 Ca 0.22 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 2dnc s GLU 43 Cb -0.02 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2dnc s GLU 43 CO 0.13 -0.36 0.43 0.42 0.02 0.00 0.00 175.26 175.90 2dnc s ILE 44 N 1.67 5.17 -0.26 -1.63 -1.09 0.27 0.21 121.20 125.55 2dnc s ILE 44 Ca 0.06 0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 59.16 2dnc s ILE 44 Cb -0.17 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 2dnc s ILE 44 CO 0.08 0.40 0.47 -0.70 -1.23 0.00 0.00 174.94 173.96 2dnc s GLU 45 N 0.20 4.07 0.06 2.79 2.12 0.90 -1.74 118.70 127.09 2dnc s GLU 45 Ca 0.24 0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.87 2dnc s GLU 45 Cb -0.15 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 2dnc s GLU 45 CO 0.10 -0.31 -0.14 0.95 -0.54 0.00 0.00 175.26 175.32 2dnc s THR 46 N 2.17 1.10 0.28 -1.70 -4.23 -1.03 -2.85 115.64 109.38 2dnc s THR 46 Ca 0.20 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 2dnc s THR 46 Cb -0.16 -1.04 0.27 0.00 1.34 0.00 0.00 72.50 72.91 2dnc s THR 46 CO 0.09 -0.15 1.78 0.44 -0.54 0.00 0.00 174.62 176.25 2dnc h ASP 47 N 4.51 0.70 0.14 3.99 3.32 -1.97 -2.19 116.42 124.93 2dnc h ASP 47 Ca -0.40 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2dnc h ASP 47 Cb 1.19 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2dnc h ASP 47 CO 0.41 0.30 -0.25 0.11 -1.72 0.00 0.00 179.24 178.09 2dnc h LYS 48 N 0.75 -0.40 0.00 3.56 6.56 -1.99 -3.48 116.57 121.57 2dnc h LYS 48 Ca 0.51 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.13 2dnc h LYS 48 Cb 0.70 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2dnc h LYS 48 CO -0.35 -0.27 0.00 0.00 -2.06 0.00 0.00 179.45 176.77 2dnc n ALA 49 N -2.60 0.00 -2.79 3.86 0.00 -0.82 -5.10 120.51 113.05 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 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.66 4.49 0.33 0.00 0.11 -1.26 -2.46 120.40 118.94 2dnc s VAL 50 Ca 0.00 -0.23 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 2dnc s VAL 50 Cb 0.00 -4.55 -0.03 0.00 -1.53 0.00 0.00 36.38 30.27 2dnc s VAL 50 CO 0.00 -1.20 0.29 0.68 -3.33 0.00 0.00 175.10 171.54 2dnc s VAL 51 N 3.65 3.62 0.07 2.04 -7.23 -0.71 -4.98 120.40 116.85 2dnc s VAL 51 Ca 0.23 -1.37 0.09 0.00 -1.81 0.00 0.00 61.98 59.12 2dnc s VAL 51 Cb -0.16 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 2dnc s VAL 51 CO 0.13 -0.19 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.59 2dnc s THR 52 N -2.29 2.25 -0.53 5.32 2.01 -1.26 0.96 115.64 122.10 2dnc s THR 52 Ca 0.40 -1.47 -0.25 0.00 0.31 0.00 0.00 61.69 60.69 2dnc s THR 52 Cb -0.06 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.57 2dnc s THR 52 CO 0.26 0.29 0.95 -0.22 -0.69 0.00 0.00 174.62 175.22 2dnc s LEU 53 N -1.49 4.04 0.29 4.42 0.20 0.22 -4.78 118.68 121.57 2dnc s LEU 53 Ca 0.13 -0.21 -0.22 0.00 0.69 0.00 0.00 54.13 54.52 2dnc s LEU 53 Cb -0.10 -2.94 -0.09 0.00 -0.43 0.00 0.00 46.19 42.63 2dnc s LEU 53 CO 0.04 -1.20 0.83 -1.81 -0.29 0.00 0.00 176.35 173.92 2dnc s ASP 54 N 2.71 7.12 0.22 3.68 1.01 -1.26 0.27 116.67 130.41 2dnc s ASP 54 Ca 0.33 1.59 -0.30 0.00 0.71 0.00 0.00 52.55 54.88 2dnc s ASP 54 Cb -0.12 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 2dnc s ASP 54 CO 0.21 -0.07 1.27 0.00 0.21 0.00 0.00 175.17 176.79 2dnc s ALA 55 N -1.67 3.49 -0.16 5.23 0.00 0.60 -4.83 121.76 124.42 2dnc s ALA 55 Ca 0.49 1.07 0.21 0.00 0.00 0.00 0.00 51.96 53.74 2dnc s ALA 55 Cb -0.16 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 2dnc s ALA 55 CO 0.21 -0.48 0.82 0.43 0.00 0.00 0.00 175.76 176.74 2dnc n SER 56 N 2.27 0.59 -4.00 0.00 7.64 -1.26 -0.31 113.62 118.56 2dnc n SER 56 Ca 0.04 0.24 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 2dnc n SER 56 Cb 0.43 0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 64.39 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dnc s ASP 57 N -5.21 0.12 -0.28 6.43 1.11 -1.26 -4.78 116.67 112.80 2dnc s ASP 57 Ca -0.03 -0.93 -0.12 0.00 0.18 0.00 0.00 52.55 51.65 2dnc s ASP 57 Cb 0.10 0.39 -0.05 0.00 1.07 0.00 0.00 42.92 44.44 2dnc s ASP 57 CO 0.83 -0.84 0.23 -1.81 1.18 0.00 0.00 175.17 174.77 2dnc s ASP 58 N -2.97 6.08 0.19 0.27 1.11 -1.26 -3.58 116.67 116.50 2dnc s ASP 58 Ca 0.17 0.07 -0.23 0.00 0.18 0.00 0.00 52.55 52.74 2dnc s ASP 58 Cb 0.04 -2.14 0.06 0.00 1.07 0.00 0.00 42.92 41.96 2dnc s ASP 58 CO -0.01 -0.08 0.96 -0.83 1.18 0.00 0.00 175.17 176.40 2dnc s GLY 59 N 1.71 -0.08 0.01 0.21 0.00 -0.25 -4.71 107.32 104.20 2dnc s GLY 59 Ca 0.09 -0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.51 2dnc s GLY 59 CO 0.11 0.64 0.60 -0.42 0.00 0.00 0.00 173.10 174.03 2dnc s ILE 60 N -2.92 4.88 -0.91 0.90 -1.09 -0.23 0.12 121.20 121.95 2dnc s ILE 60 Ca 0.15 1.26 -0.25 0.00 -2.23 0.00 0.00 60.65 59.58 2dnc s ILE 60 Cb -0.02 -3.94 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 2dnc s ILE 60 CO 0.04 0.43 2.07 -0.22 -1.23 0.00 0.00 174.94 176.02 2dnc s LEU 61 N -0.27 3.04 0.03 2.97 0.20 0.32 -0.41 118.68 124.56 2dnc s LEU 61 Ca 0.31 -0.62 -0.10 0.00 0.69 0.00 0.00 54.13 54.41 2dnc s LEU 61 Cb -0.18 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.97 2dnc s LEU 61 CO 0.18 -3.16 1.17 0.00 -0.29 0.00 0.00 176.35 174.25 2dnc h ALA 62 N 11.47 -0.63 -2.83 5.97 0.00 0.13 0.52 119.26 133.88 2dnc h ALA 62 Ca 0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2dnc h ALA 62 Cb 1.00 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2dnc h ALA 62 CO 1.15 -0.68 -0.21 -1.59 0.00 0.00 0.00 179.25 177.92 2dnc s LYS 63 N -3.83 1.64 -0.61 0.00 -2.85 -0.78 -4.29 119.74 109.03 2dnc s LYS 63 Ca -0.05 -1.49 0.04 0.00 -1.00 0.00 0.00 55.97 53.48 2dnc s LYS 63 Cb 0.02 0.44 0.15 0.00 -2.06 0.00 0.00 37.83 36.38 2dnc s LYS 63 CO 0.18 -0.67 0.38 0.42 0.10 0.00 0.00 175.35 175.76 2dnc s ILE 64 N -3.65 2.72 0.16 3.79 1.01 -1.26 -0.61 121.20 123.35 2dnc s ILE 64 Ca 0.27 -3.79 -0.30 0.00 0.00 0.00 0.00 60.65 56.83 2dnc s ILE 64 Cb 0.00 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 2dnc s ILE 64 CO 0.13 -0.91 1.52 0.52 0.00 0.00 0.00 174.94 176.21 2dnc n VAL 65 N 2.54 -0.67 -3.67 2.92 0.31 0.12 -3.70 118.33 116.18 2dnc n VAL 65 Ca 0.12 2.39 -0.39 0.00 -0.01 0.00 0.00 64.34 66.46 2dnc n VAL 65 Cb 0.34 -2.96 -0.12 0.00 -0.91 0.00 0.00 33.84 30.19 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 -5.47 4.39 0.59 2.52 1.01 0.01 -4.96 120.40 118.49 2dnc s VAL 66 Ca -0.12 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 2dnc s VAL 66 Cb 0.11 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2dnc s VAL 66 CO 0.61 -0.05 1.03 -1.61 0.00 0.00 0.00 175.10 175.08 2dnc s GLU 67 N 1.55 3.50 0.65 2.72 8.01 -1.24 -4.82 118.70 129.06 2dnc s GLU 67 Ca 0.03 0.99 -0.17 0.00 0.01 0.00 0.00 54.97 55.82 2dnc s GLU 67 Cb -0.18 -2.07 -0.04 0.00 -4.31 0.00 0.00 34.13 27.54 2dnc s GLU 67 CO 0.05 -0.65 0.83 -0.85 0.01 0.00 0.00 175.26 174.65 2dnc n GLU 68 N -2.25 0.63 0.00 1.61 0.28 -1.26 -3.04 120.64 116.62 2dnc n GLU 68 Ca 0.07 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 2dnc n GLU 68 Cb 0.54 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.34 2dnc n GLU 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnc n GLY 69 N 1.37 0.58 3.72 -1.84 0.00 -0.72 -5.00 105.19 103.31 2dnc n GLY 69 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.86 7.36 0.42 1.61 0.01 -1.17 -4.99 113.70 115.07 2dnc s SER 70 Ca 0.00 1.63 0.04 0.00 1.31 0.00 0.00 55.95 58.93 2dnc s SER 70 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.72 2dnc s SER 70 CO 0.00 -0.12 0.29 0.29 0.41 0.00 0.00 173.24 174.11 2dnc n LYS 71 N 3.25 0.88 -3.59 12.44 4.76 -1.26 -2.06 118.16 132.58 2dnc n LYS 71 Ca 0.02 -2.63 -0.35 0.00 -2.87 0.00 0.00 58.31 52.48 2dnc n LYS 71 Cb 0.50 0.31 0.03 0.00 -1.84 0.00 0.00 35.03 34.03 2dnc n LYS 71 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dnc n ASN 72 N -1.83 -5.22 -4.08 4.39 4.13 -0.97 -4.88 115.26 106.79 2dnc n ASN 72 Ca -0.03 -0.41 -0.36 0.00 1.68 0.00 0.00 54.58 55.47 2dnc n ASN 72 Cb 0.48 -1.58 -0.09 0.00 -1.54 0.00 0.00 39.78 37.05 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dnc s ILE 73 N -1.89 3.74 1.14 2.41 -1.09 0.51 -4.85 121.20 121.16 2dnc s ILE 73 Ca 0.27 -3.17 -0.18 0.00 -2.23 0.00 0.00 60.65 55.35 2dnc s ILE 73 Cb -0.03 -3.42 0.15 0.00 -1.58 0.00 0.00 42.46 37.58 2dnc s ILE 73 CO 0.88 -0.91 0.19 -2.11 -1.23 0.00 0.00 174.94 171.76 2dnc n ARG 74 N 3.23 -2.03 -2.48 2.79 1.85 -1.26 0.17 116.66 118.93 2dnc n ARG 74 Ca 0.10 -0.58 -0.32 0.00 -1.00 0.00 0.00 57.85 56.05 2dnc n ARG 74 Cb 0.37 -1.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.02 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2dnc s LEU 75 N -2.15 3.68 -0.69 2.89 1.43 -1.20 -4.03 118.68 118.61 2dnc s LEU 75 Ca 0.55 1.55 -0.04 0.00 -1.03 0.00 0.00 54.13 55.16 2dnc s LEU 75 Cb -0.12 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2dnc s LEU 75 CO 0.61 -0.55 0.59 0.61 0.23 0.00 0.00 176.35 177.85 2dnc n GLY 76 N -1.45 0.15 3.15 -3.19 0.00 -1.24 -4.93 105.19 97.67 2dnc n GLY 76 Ca 0.06 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.28 2.65 -0.12 1.61 0.01 -1.26 -4.89 113.70 108.43 2dnc s SER 77 Ca 0.24 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 2dnc s SER 77 Cb -0.11 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 2dnc s SER 77 CO 0.38 0.11 1.52 -0.76 0.41 0.00 0.00 173.24 174.90 2dnc s LEU 78 N 0.50 4.20 -0.06 2.44 1.43 -1.26 -2.29 118.68 123.64 2dnc s LEU 78 Ca -0.16 1.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 2dnc s LEU 78 Cb -0.17 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.39 2dnc s LEU 78 CO 0.06 -0.93 0.10 2.30 0.23 0.00 0.00 176.35 178.11 2dnc n ILE 79 N 5.62 0.36 -3.50 -0.59 -5.35 -0.36 -3.93 119.36 111.60 2dnc n ILE 79 Ca 0.16 -0.31 -0.14 0.00 -0.27 0.00 0.00 62.75 62.20 2dnc n ILE 79 Cb 0.44 -0.35 -0.04 0.00 -1.74 0.00 0.00 39.64 37.95 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 -3.67 -0.52 -0.06 3.28 0.00 -1.24 0.13 107.32 105.23 2dnc s GLY 80 Ca -0.04 1.20 0.05 0.00 0.00 0.00 0.00 44.72 45.93 2dnc s GLY 80 CO 0.37 0.70 -0.23 -2.27 0.00 0.00 0.00 173.10 171.67 2dnc s LEU 81 N -1.71 2.21 0.20 0.66 1.98 0.22 0.25 118.68 122.49 2dnc s LEU 81 Ca -0.05 -0.46 0.06 0.00 -2.89 0.00 0.00 54.13 50.79 2dnc s LEU 81 Cb -0.00 -1.42 -0.04 0.00 0.66 0.00 0.00 46.19 45.39 2dnc s LEU 81 CO 0.01 0.25 0.17 -0.63 -1.89 0.00 0.00 176.35 174.25 2dnc s ILE 82 N -0.17 4.51 -0.02 6.68 1.01 0.97 0.16 121.20 134.34 2dnc s ILE 82 Ca -0.03 -1.19 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 2dnc s ILE 82 Cb -0.14 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.00 2dnc s ILE 82 CO 0.04 -0.20 0.04 0.68 0.00 0.00 0.00 174.94 175.49 2dnc s VAL 83 N -1.90 -0.05 -0.24 2.92 -7.23 0.45 -1.62 120.40 112.74 2dnc s VAL 83 Ca 0.32 0.17 -0.43 0.00 -1.81 0.00 0.00 61.98 60.23 2dnc s VAL 83 Cb -0.09 -0.09 -0.20 0.00 0.56 0.00 0.00 36.38 36.57 2dnc s VAL 83 CO 0.24 0.07 1.30 -0.62 -0.31 0.00 0.00 175.10 175.79 2dnc n GLU 84 N 3.95 0.00 -1.20 4.82 -0.58 -1.26 -1.07 120.64 125.30 2dnc n GLU 84 Ca -0.24 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.11 2dnc n GLU 84 Cb 0.52 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.93 2dnc n GLU 84 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2dnc n GLU 85 N 2.66 0.00 -3.26 3.49 -0.58 -1.26 -3.25 120.64 118.44 2dnc n GLU 85 Ca 0.25 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.84 2dnc n GLU 85 Cb 0.01 -1.00 0.07 0.00 -0.57 0.00 0.00 31.44 29.96 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dnc n GLY 86 N 2.68 -1.04 3.14 0.62 0.00 -1.26 -5.01 105.19 104.32 2dnc n GLY 86 Ca 0.06 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 2dnc n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 87 N -4.52 0.80 -1.20 1.61 0.41 -1.20 -5.08 118.70 109.52 2dnc s GLU 87 Ca 0.39 -1.27 -0.15 0.00 -0.41 0.00 0.00 54.97 53.53 2dnc s GLU 87 Cb -0.05 0.25 0.16 0.00 -1.78 0.00 0.00 34.13 32.70 2dnc s GLU 87 CO 0.73 -0.21 1.45 -0.51 -0.49 0.00 0.00 175.26 176.24 2dnc s ASP 88 N -2.97 7.02 0.17 -0.19 1.01 -1.26 -4.77 116.67 115.68 2dnc s ASP 88 Ca 0.14 -2.87 -0.12 0.00 0.71 0.00 0.00 52.55 50.42 2dnc s ASP 88 Cb 0.07 -2.42 0.06 0.00 1.01 0.00 0.00 42.92 41.64 2dnc s ASP 88 CO -0.05 -0.82 1.69 4.11 0.21 0.00 0.00 175.17 180.31 2dnc h TRP 89 N 7.32 0.94 0.70 4.23 5.08 -1.96 -3.05 115.95 129.22 2dnc h TRP 89 Ca 0.32 -0.10 -0.03 0.00 1.08 0.00 0.00 58.89 60.16 2dnc h TRP 89 Cb 0.88 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 26.76 2dnc h TRP 89 CO 1.15 0.80 -0.47 -0.22 -1.28 0.00 0.00 178.44 178.41 2dnc h LYS 90 N 0.82 -1.08 -3.70 0.12 3.64 -1.89 -3.49 116.57 111.00 2dnc h LYS 90 Ca 0.18 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2dnc h LYS 90 Cb 0.31 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2dnc h LYS 90 CO -0.00 -0.72 -0.85 0.72 -2.27 0.00 0.00 179.45 176.33 2dnc n HIS 91 N -5.59 -4.31 -4.01 1.91 8.25 -1.15 -4.97 115.22 105.34 2dnc n HIS 91 Ca -0.14 2.30 -0.31 0.00 -0.26 0.00 0.00 57.72 59.31 2dnc n HIS 91 Cb 0.48 -3.46 -0.16 0.00 1.12 0.00 0.00 29.99 27.97 2dnc n HIS 91 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dnc s VAL 92 N -1.66 1.76 -0.11 1.59 1.01 -1.26 -5.11 120.40 116.62 2dnc s VAL 92 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 2dnc s VAL 92 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2dnc s VAL 92 CO 0.00 0.14 0.04 -0.94 0.00 0.00 0.00 175.10 174.34 2dnc s SER 93 N 1.33 5.54 1.02 3.32 1.04 -1.26 -5.11 113.70 119.59 2dnc s SER 93 Ca -0.03 0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.58 2dnc s SER 93 Cb -0.17 -1.70 0.03 0.00 0.10 0.00 0.00 66.02 64.28 2dnc s SER 93 CO -0.08 0.35 0.12 0.61 0.98 0.00 0.00 173.24 175.22 2dnc n GLY 94 N 2.37 -2.36 3.55 7.32 0.00 -1.26 -4.88 105.19 109.93 2dnc n GLY 94 Ca -0.19 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.27 2.96 -0.39 1.61 0.04 -1.26 -4.91 135.00 129.78 2dnc s PRO 95 Ca 0.08 -0.08 -0.40 0.00 0.04 0.00 0.00 61.00 60.64 2dnc s PRO 95 Cb -0.01 -4.55 -0.16 0.00 0.04 0.00 0.00 34.50 29.83 2dnc s PRO 95 CO 0.06 -2.54 2.00 0.45 0.04 0.00 0.00 177.00 177.01 2dnc n SER 96 N 11.14 1.69 -3.01 6.66 2.88 -1.26 -2.69 113.62 129.03 2dnc n SER 96 Ca 0.19 0.74 -0.07 0.00 -1.33 0.00 0.00 58.87 58.40 2dnc n SER 96 Cb 0.50 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.89 2dnc n SER 96 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnc n SER 97 N 7.40 -7.17 0.00 -3.46 2.88 -1.26 -5.31 113.62 106.69 2dnc n SER 97 Ca 0.41 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2dnc n SER 97 Cb 0.09 -3.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42