#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 -0.44 -4.51 1.61 2.88 -1.26 -5.06 113.62 106.84 2dnc n SER 2 Ca 0.00 0.39 -0.41 0.00 -1.33 0.00 0.00 58.87 57.53 2dnc n SER 2 Cb 0.00 0.59 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 2dnc n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnc s SER 3 N -4.70 6.05 0.00 -3.46 1.04 -1.26 -4.96 113.70 106.42 2dnc s SER 3 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2dnc s SER 3 Cb 0.00 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2dnc s SER 3 CO 0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2dnc n GLY 4 N 5.11 1.95 2.16 7.32 0.00 -1.26 -5.08 105.19 115.39 2dnc n GLY 4 Ca -0.12 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2dnc n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dnc n SER 5 N 0.00 -2.84 -5.00 1.61 3.41 -1.26 -4.78 113.62 104.76 2dnc n SER 5 Ca 0.00 0.73 -0.18 0.00 -0.26 0.00 0.00 58.87 59.16 2dnc n SER 5 Cb 0.00 2.72 0.02 0.00 -0.26 0.00 0.00 64.21 66.69 2dnc n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dnc s SER 6 N -2.77 5.56 0.00 4.04 1.04 -1.26 -5.06 113.70 115.25 2dnc s SER 6 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2dnc s SER 6 Cb 0.00 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2dnc s SER 6 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2dnc n GLY 7 N -1.94 2.84 3.47 7.32 0.00 -1.26 -4.99 105.19 110.63 2dnc n GLY 7 Ca 0.09 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.58 5.04 0.05 -0.61 1.01 0.58 -4.89 121.20 119.80 2dnc s ILE 8 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 2dnc s ILE 8 Cb 0.00 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2dnc s ILE 8 CO 0.00 -0.52 0.93 -1.59 0.00 0.00 0.00 174.94 173.76 2dnc s LYS 9 N 2.23 4.61 -0.41 2.79 -2.85 -1.26 0.11 119.74 124.96 2dnc s LYS 9 Ca 0.13 1.37 -0.20 0.00 -1.00 0.00 0.00 55.97 56.26 2dnc s LYS 9 Cb -0.18 -3.41 0.02 0.00 -2.06 0.00 0.00 37.83 32.19 2dnc s LYS 9 CO 0.13 0.11 0.61 0.42 0.10 0.00 0.00 175.35 176.71 2dnc s ILE 10 N 0.44 4.89 -0.07 3.79 1.01 0.32 -4.94 121.20 126.63 2dnc s ILE 10 Ca 0.47 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 2dnc s ILE 10 Cb -0.22 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 2dnc s ILE 10 CO 0.28 -0.47 -0.03 -0.76 0.00 0.00 0.00 174.94 173.96 2dnc s LEU 11 N 2.68 3.41 -0.30 2.97 1.43 -1.26 -0.95 118.68 126.67 2dnc s LEU 11 Ca 0.21 0.07 -0.34 0.00 -1.03 0.00 0.00 54.13 53.05 2dnc s LEU 11 Cb -0.15 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 2dnc s LEU 11 CO 0.17 0.36 2.17 0.80 0.23 0.00 0.00 176.35 180.08 2dnc n MET 12 N 2.11 1.37 -1.63 1.70 0.00 -1.08 -4.85 117.12 114.74 2dnc n MET 12 Ca -0.18 0.39 -0.31 0.00 -0.00 0.00 0.00 57.70 57.60 2dnc n MET 12 Cb 0.53 -2.65 0.04 0.00 0.00 0.00 0.00 33.22 31.15 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 6.03 2.99 -1.50 2.12 0.04 -1.26 -3.53 135.00 139.90 2dnc s PRO 13 Ca 1.06 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2dnc s PRO 13 Cb -0.73 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 2dnc s PRO 13 CO 0.46 -1.05 2.86 0.43 0.04 0.00 0.00 177.00 179.74 2dnc n SER 14 N -3.00 8.49 -0.25 6.66 7.64 -1.26 -4.70 113.62 127.20 2dnc n SER 14 Ca 0.08 -2.70 -0.03 0.00 1.01 0.00 0.00 58.87 57.23 2dnc n SER 14 Cb 0.53 -1.51 0.03 0.00 -1.01 0.00 0.00 64.21 62.25 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 6.60 -1.15-10.59 -3.43 3.38 -1.99 -3.40 115.31 104.73 2dnc h LEU 15 Ca 0.81 0.25 -0.47 0.00 0.09 0.00 0.00 57.88 58.56 2dnc h LEU 15 Cb 0.33 0.60 0.11 0.00 0.09 0.00 0.00 40.66 41.79 2dnc h LEU 15 CO 1.66 -0.29 0.38 -0.55 0.09 0.00 0.00 178.44 179.72 2dnc s SER 16 N -5.22 4.15 0.01 -0.43 0.15 -1.26 -5.00 113.70 106.10 2dnc s SER 16 Ca -0.14 0.82 -0.19 0.00 0.70 0.00 0.00 55.95 57.13 2dnc s SER 16 Cb 0.18 -1.32 -0.22 0.00 -1.71 0.00 0.00 66.02 62.95 2dnc s SER 16 CO 0.71 -2.13 1.14 1.55 1.20 0.00 0.00 173.24 175.70 2dnc h PRO 17 N -1.21 0.43 -2.05 5.44 0.13 -2.02 -3.38 132.00 129.33 2dnc h PRO 17 Ca -0.47 -0.42 -0.51 0.00 -0.87 0.00 0.00 66.00 63.73 2dnc h PRO 17 Cb 1.33 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 32.16 2dnc h PRO 17 CO 0.64 1.07 -1.09 0.25 -0.23 0.00 0.00 178.00 178.64 2dnc n THR 18 N -4.24 0.34 -3.30 1.56 -2.24 -1.26 -5.11 114.28 100.03 2dnc n THR 18 Ca -0.10 -4.70 -0.30 0.00 -2.27 0.00 0.00 64.05 56.68 2dnc n THR 18 Cb 0.64 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 2dnc n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dnc s MET 19 N -2.48 3.70 -0.01 -0.78 0.23 -1.26 -4.99 119.30 113.71 2dnc s MET 19 Ca 0.41 0.15 0.07 0.00 -1.03 0.00 0.00 55.69 55.29 2dnc s MET 19 Cb 0.32 -2.61 -0.10 0.00 -1.53 0.00 0.00 34.83 30.91 2dnc s MET 19 CO -0.09 0.21 0.22 0.39 -2.03 0.00 0.00 175.02 173.73 2dnc n GLU 20 N -0.74 2.32 -3.91 3.16 1.02 -1.26 -4.95 120.64 116.29 2dnc n GLU 20 Ca -0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2dnc n GLU 20 Cb 0.53 -1.01 0.01 0.00 -0.02 0.00 0.00 31.44 30.95 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2dnc s GLU 21 N -2.11 0.73 0.00 3.49 -1.05 -1.26 -3.79 118.70 114.71 2dnc s GLU 21 Ca -0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2dnc s GLU 21 Cb 0.05 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2dnc s GLU 21 CO 0.30 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.57 2dnc n GLY 22 N -0.78 4.27 3.07 -3.83 0.00 0.47 -4.76 105.19 103.64 2dnc n GLY 22 Ca -0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.67 -0.83 -0.29 1.61 0.01 -1.07 0.93 114.94 114.63 2dnc s ASN 23 Ca 0.00 0.56 -0.29 0.00 -0.71 0.00 0.00 52.86 52.43 2dnc s ASN 23 Cb 0.00 1.79 -0.02 0.00 0.41 0.00 0.00 41.25 43.43 2dnc s ASN 23 CO 0.00 -0.28 1.72 -0.63 -1.51 0.00 0.00 177.10 176.40 2dnc s ILE 24 N 2.75 3.56 -0.08 0.60 1.09 -1.24 0.05 121.20 127.93 2dnc s ILE 24 Ca 0.17 0.59 -0.23 0.00 -1.10 0.00 0.00 60.65 60.08 2dnc s ILE 24 Cb -0.15 -3.68 -0.19 0.00 -1.06 0.00 0.00 42.46 37.39 2dnc s ILE 24 CO -0.20 -0.38 0.86 0.58 -0.10 0.00 0.00 174.94 175.70 2dnc h VAL 25 N 6.55 1.25 -2.37 2.92 2.07 -0.85 -2.97 116.25 122.85 2dnc h VAL 25 Ca -0.34 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 2dnc h VAL 25 Cb 1.16 2.20 -0.16 0.00 -1.52 0.00 0.00 31.29 32.97 2dnc h VAL 25 CO 1.02 0.36 0.20 -0.75 0.02 0.00 0.00 177.57 178.42 2dnc s LYS 26 N -3.04 1.14 -0.16 1.57 2.20 -1.26 -4.24 119.74 115.95 2dnc s LYS 26 Ca -0.15 -0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.27 2dnc s LYS 26 Cb -0.01 0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 36.81 2dnc s LYS 26 CO 0.56 -0.42 0.45 -1.58 -0.36 0.00 0.00 175.35 174.00 2dnc s TRP 27 N -2.16 3.45 -0.71 4.03 0.52 -1.26 -1.40 118.94 121.39 2dnc s TRP 27 Ca -0.06 0.77 0.25 0.00 0.02 0.00 0.00 56.10 57.08 2dnc s TRP 27 Cb -0.00 -2.54 0.64 0.00 -1.15 0.00 0.00 33.47 30.42 2dnc s TRP 27 CO 0.01 0.08 1.60 1.28 0.02 0.00 0.00 176.95 179.95 2dnc n LEU 28 N 4.07 0.74 -4.42 2.99 4.77 0.49 -4.84 117.00 120.80 2dnc n LEU 28 Ca -0.07 0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2dnc n LEU 28 Cb 0.51 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2dnc n LEU 28 CO 0.42 -0.12 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.35 2dnc s LYS 29 N -3.12 1.55 0.43 3.23 -0.14 -1.00 -4.99 119.74 115.69 2dnc s LYS 29 Ca 0.09 -1.69 0.07 0.00 -1.36 0.00 0.00 55.97 53.08 2dnc s LYS 29 Cb 0.13 -1.54 -0.04 0.00 -1.68 0.00 0.00 37.83 34.71 2dnc s LYS 29 CO 0.64 0.28 0.22 0.15 -0.76 0.00 0.00 175.35 175.88 2dnc s LYS 30 N -3.52 2.26 -0.03 1.68 -0.14 -1.26 -5.05 119.74 113.68 2dnc s LYS 30 Ca 0.27 -1.86 -0.30 0.00 -1.36 0.00 0.00 55.97 52.72 2dnc s LYS 30 Cb -0.04 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 2dnc s LYS 30 CO 0.12 -0.19 1.25 -1.21 -0.76 0.00 0.00 175.35 174.56 2dnc s GLU 31 N -3.97 4.34 0.00 1.68 2.02 -1.26 -2.46 118.70 119.06 2dnc s GLU 31 Ca 0.39 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.14 2dnc s GLU 31 Cb 0.02 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.71 2dnc s GLU 31 CO 0.22 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2dnc n GLY 32 N 3.42 1.29 3.83 -1.39 0.00 0.77 -5.02 105.19 108.08 2dnc n GLY 32 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.97 3.41 0.73 1.61 0.41 -1.03 -4.63 118.70 118.23 2dnc s GLU 33 Ca 0.00 0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 55.42 2dnc s GLU 33 Cb 0.00 -2.05 0.04 0.00 -1.78 0.00 0.00 34.13 30.33 2dnc s GLU 33 CO 0.00 -0.72 1.10 0.00 -0.49 0.00 0.00 175.26 175.15 2dnc s ALA 34 N -2.83 2.87 0.01 5.21 0.00 -1.26 0.44 121.76 126.19 2dnc s ALA 34 Ca 0.59 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 2dnc s ALA 34 Cb -0.13 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2dnc s ALA 34 CO 0.45 -1.29 0.04 0.08 0.00 0.00 0.00 175.76 175.04 2dnc s VAL 35 N -3.39 0.08 -0.01 0.00 1.01 0.51 -4.74 120.40 113.86 2dnc s VAL 35 Ca 0.59 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2dnc s VAL 35 Cb -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 2dnc s VAL 35 CO 0.50 -0.37 -0.09 -0.44 0.00 0.00 0.00 175.10 174.70 2dnc s SER 36 N -1.18 1.11 0.20 3.32 0.01 -1.26 -1.57 113.70 114.33 2dnc s SER 36 Ca -0.13 -0.17 -0.32 0.00 1.31 0.00 0.00 55.95 56.64 2dnc s SER 36 Cb -0.08 -0.19 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 2dnc s SER 36 CO 0.00 0.09 1.70 0.00 0.41 0.00 0.00 173.24 175.45 2dnc s ALA 37 N -0.05 3.91 0.00 1.44 0.00 -1.26 -1.49 121.76 124.31 2dnc s ALA 37 Ca 0.01 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2dnc s ALA 37 Cb -0.05 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dnc s ALA 37 CO -0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2dnc n GLY 38 N 3.96 2.60 3.80 0.00 0.00 -0.82 -4.93 105.19 109.80 2dnc n GLY 38 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 0.26 6.65 0.11 1.61 1.11 -0.55 -4.64 116.67 121.21 2dnc s ASP 39 Ca 0.00 1.88 -0.30 0.00 0.18 0.00 0.00 52.55 54.31 2dnc s ASP 39 Cb 0.00 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.37 2dnc s ASP 39 CO 0.00 -0.56 1.08 0.00 1.18 0.00 0.00 175.17 176.87 2dnc s ALA 40 N -1.94 3.32 -0.23 5.23 0.00 -1.26 0.10 121.76 126.99 2dnc s ALA 40 Ca 0.63 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 2dnc s ALA 40 Cb -0.16 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 2dnc s ALA 40 CO 0.20 -0.23 -0.22 1.28 0.00 0.00 0.00 175.76 176.78 2dnc n LEU 41 N 3.02 1.92 -3.97 0.00 4.77 0.33 -4.71 117.00 118.35 2dnc n LEU 41 Ca 0.05 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 2dnc n LEU 41 Cb 0.47 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2dnc n LEU 41 CO 0.53 0.23 0.09 0.00 -1.33 0.00 0.00 177.39 176.91 2dnc s GLU 43 N -4.00 3.85 -0.15 0.00 2.02 -0.50 0.44 118.70 120.36 2dnc s GLU 43 Ca 0.20 -0.14 -0.14 0.00 0.02 0.00 0.00 54.97 54.91 2dnc s GLU 43 Cb 0.01 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 2dnc s GLU 43 CO 0.05 -0.37 0.31 0.42 0.02 0.00 0.00 175.26 175.69 2dnc s ILE 44 N 2.05 5.29 -0.09 -1.63 -1.09 0.16 -0.15 121.20 125.75 2dnc s ILE 44 Ca 0.14 0.59 -0.15 0.00 -2.23 0.00 0.00 60.65 58.99 2dnc s ILE 44 Cb -0.16 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 2dnc s ILE 44 CO 0.11 0.39 0.39 -0.70 -1.23 0.00 0.00 174.94 173.89 2dnc s GLU 45 N 0.45 4.13 -0.00 2.79 2.12 0.11 -1.42 118.70 126.87 2dnc s GLU 45 Ca 0.17 0.31 -0.03 0.00 0.36 0.00 0.00 54.97 55.79 2dnc s GLU 45 Cb -0.13 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 30.91 2dnc s GLU 45 CO 0.05 0.40 0.05 0.95 -0.54 0.00 0.00 175.26 176.17 2dnc s THR 46 N -0.11 0.06 0.33 -1.70 -4.23 -0.97 -2.58 115.64 106.43 2dnc s THR 46 Ca 0.22 -0.46 0.11 0.00 -1.18 0.00 0.00 61.69 60.38 2dnc s THR 46 Cb -0.15 -0.23 0.32 0.00 1.34 0.00 0.00 72.50 73.77 2dnc s THR 46 CO 0.09 -0.25 1.70 0.44 -0.54 0.00 0.00 174.62 176.06 2dnc h ASP 47 N 5.17 0.57 0.02 3.99 3.32 -1.98 -1.53 116.42 125.99 2dnc h ASP 47 Ca -0.28 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2dnc h ASP 47 Cb 1.20 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 2dnc h ASP 47 CO 0.43 -0.00 -0.02 0.11 -1.72 0.00 0.00 179.24 178.04 2dnc h LYS 48 N 0.46 -0.04 0.00 3.56 1.79 -2.01 -3.48 116.57 116.84 2dnc h LYS 48 Ca 0.67 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 2dnc h LYS 48 Cb 1.39 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 2dnc h LYS 48 CO -0.54 -0.03 0.00 0.00 -1.08 0.00 0.00 179.45 177.81 2dnc n ALA 49 N -2.29 0.00 -2.86 3.86 0.00 -0.58 -5.10 120.51 113.54 2dnc n ALA 49 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2dnc n ALA 49 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.87 4.36 0.17 0.00 0.11 -1.26 -2.28 120.40 118.63 2dnc s VAL 50 Ca 0.00 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 2dnc s VAL 50 Cb 0.00 -4.66 -0.03 0.00 -1.53 0.00 0.00 36.38 30.15 2dnc s VAL 50 CO 0.00 -1.41 0.31 0.68 -3.33 0.00 0.00 175.10 171.35 2dnc s VAL 51 N 3.96 5.30 0.02 2.04 -7.23 -0.51 -4.98 120.40 118.99 2dnc s VAL 51 Ca 0.22 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.74 2dnc s VAL 51 Cb -0.17 -3.77 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 2dnc s VAL 51 CO 0.10 -0.15 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.73 2dnc s THR 52 N -1.81 3.24 -0.20 5.32 2.01 -1.26 0.39 115.64 123.32 2dnc s THR 52 Ca 0.35 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 2dnc s THR 52 Cb -0.11 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 2dnc s THR 52 CO 0.29 0.38 0.59 -0.22 -0.69 0.00 0.00 174.62 174.96 2dnc s LEU 53 N -1.40 4.14 -0.03 4.42 0.20 0.17 -4.80 118.68 121.38 2dnc s LEU 53 Ca 0.16 0.77 -0.02 0.00 0.69 0.00 0.00 54.13 55.72 2dnc s LEU 53 Cb -0.11 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.80 2dnc s LEU 53 CO 0.06 -0.24 0.12 -1.81 -0.29 0.00 0.00 176.35 174.19 2dnc s ASP 54 N 1.19 5.98 0.62 3.68 1.11 -1.26 0.12 116.67 128.11 2dnc s ASP 54 Ca 0.27 0.27 -0.18 0.00 0.18 0.00 0.00 52.55 53.08 2dnc s ASP 54 Cb -0.16 -1.81 -0.02 0.00 1.07 0.00 0.00 42.92 42.00 2dnc s ASP 54 CO 0.10 0.30 1.21 0.00 1.18 0.00 0.00 175.17 177.96 2dnc s ALA 55 N -1.18 2.47 -0.04 5.23 0.00 0.12 -4.82 121.76 123.54 2dnc s ALA 55 Ca 0.22 0.97 0.12 0.00 0.00 0.00 0.00 51.96 53.27 2dnc s ALA 55 Cb -0.12 -3.45 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 2dnc s ALA 55 CO 0.13 -1.29 0.21 0.43 0.00 0.00 0.00 175.76 175.24 2dnc n SER 56 N -1.81 2.20 -3.79 0.00 7.64 -1.26 -1.94 113.62 114.65 2dnc n SER 56 Ca 0.14 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 2dnc n SER 56 Cb 0.50 1.37 -0.11 0.00 -1.01 0.00 0.00 64.21 64.96 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 -3.65 -0.21 -0.11 6.43 1.11 -1.26 -4.81 116.67 114.18 2dnc s ASP 57 Ca -0.05 0.33 -0.30 0.00 0.18 0.00 0.00 52.55 52.72 2dnc s ASP 57 Cb 0.07 0.44 -0.01 0.00 1.07 0.00 0.00 42.92 44.48 2dnc s ASP 57 CO 0.50 -0.19 1.05 -1.81 1.18 0.00 0.00 175.17 175.89 2dnc s ASP 58 N -0.35 7.19 0.11 0.27 1.11 -1.26 -4.36 116.67 119.39 2dnc s ASP 58 Ca -0.05 1.58 -0.15 0.00 0.18 0.00 0.00 52.55 54.11 2dnc s ASP 58 Cb -0.03 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.45 2dnc s ASP 58 CO 0.01 -0.49 0.70 0.61 1.18 0.00 0.00 175.17 177.18 2dnc n GLY 59 N 3.17 0.80 3.81 0.21 0.00 -0.61 -4.58 105.19 107.99 2dnc n GLY 59 Ca 0.09 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.22 5.42 -0.90 -0.61 -1.09 0.90 0.19 121.20 122.89 2dnc s ILE 60 Ca 0.16 0.27 -0.25 0.00 -2.23 0.00 0.00 60.65 58.60 2dnc s ILE 60 Cb -0.02 -3.47 -0.06 0.00 -1.58 0.00 0.00 42.46 37.33 2dnc s ILE 60 CO 0.03 0.53 2.02 -0.22 -1.23 0.00 0.00 174.94 176.07 2dnc s LEU 61 N -0.36 3.11 0.02 2.97 0.20 0.17 -1.04 118.68 123.75 2dnc s LEU 61 Ca 0.13 -0.62 -0.08 0.00 0.69 0.00 0.00 54.13 54.25 2dnc s LEU 61 Cb -0.12 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 2dnc s LEU 61 CO 0.02 -2.96 1.13 0.00 -0.29 0.00 0.00 176.35 174.26 2dnc h ALA 62 N 11.43 -0.80 -2.79 5.97 0.00 -1.59 0.22 119.26 131.70 2dnc h ALA 62 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2dnc h ALA 62 Cb 1.00 0.42 -0.24 0.00 0.00 0.00 0.00 17.79 18.97 2dnc h ALA 62 CO 1.18 -0.81 -0.29 0.21 0.00 0.00 0.00 179.25 179.54 2dnc s LYS 63 N -3.67 0.48 -1.05 0.00 2.36 -1.20 -4.37 119.74 112.28 2dnc s LYS 63 Ca -0.04 0.35 -0.14 0.00 -2.55 0.00 0.00 55.97 53.59 2dnc s LYS 63 Cb 0.01 0.23 0.19 0.00 -1.05 0.00 0.00 37.83 37.21 2dnc s LYS 63 CO 0.14 -0.08 1.16 0.42 1.55 0.00 0.00 175.35 178.55 2dnc s ILE 64 N -0.14 5.28 0.16 5.43 1.01 -1.26 -1.63 121.20 130.05 2dnc s ILE 64 Ca -0.03 -2.52 -0.31 0.00 0.00 0.00 0.00 60.65 57.79 2dnc s ILE 64 Cb -0.03 -4.73 -0.07 0.00 0.01 0.00 0.00 42.46 37.64 2dnc s ILE 64 CO 0.01 -1.39 1.54 0.58 0.00 0.00 0.00 174.94 175.69 2dnc h VAL 65 N 4.75 0.00 -3.71 2.92 2.07 -1.18 -3.31 116.25 117.79 2dnc h VAL 65 Ca 0.21 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 67.05 2dnc h VAL 65 Cb 0.94 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.52 2dnc h VAL 65 CO 1.07 0.00 -0.50 -0.69 0.02 0.00 0.00 177.57 177.47 2dnc s VAL 66 N -5.51 5.12 0.67 2.57 1.01 0.30 -4.97 120.40 119.59 2dnc s VAL 66 Ca -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2dnc s VAL 66 Cb 0.11 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.95 2dnc s VAL 66 CO 0.62 0.03 0.94 -1.61 0.00 0.00 0.00 175.10 175.08 2dnc s GLU 67 N 1.70 2.10 0.26 2.72 0.41 -1.25 -4.81 118.70 119.84 2dnc s GLU 67 Ca 0.06 -0.67 -0.29 0.00 -0.41 0.00 0.00 54.97 53.65 2dnc s GLU 67 Cb -0.17 -2.31 -0.09 0.00 -1.78 0.00 0.00 34.13 29.78 2dnc s GLU 67 CO 0.10 -1.17 1.20 -1.83 -0.49 0.00 0.00 175.26 173.07 2dnc s GLU 68 N -5.08 4.50 0.00 1.61 4.04 -1.26 -3.67 118.70 118.84 2dnc s GLU 68 Ca 0.61 1.96 0.00 0.00 0.04 0.00 0.00 54.97 57.59 2dnc s GLU 68 Cb -0.09 -3.17 0.00 0.00 0.02 0.00 0.00 34.13 30.89 2dnc s GLU 68 CO 0.43 -0.02 0.00 0.41 -1.84 0.00 0.00 175.26 174.24 2dnc n GLY 69 N 1.43 1.07 3.90 -3.83 0.00 -1.12 -5.01 105.19 101.63 2dnc n GLY 69 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2dnc n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 70 N -0.60 6.40 0.02 1.61 0.15 -1.24 -5.05 113.70 114.98 2dnc s SER 70 Ca 0.00 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.61 2dnc s SER 70 Cb 0.00 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2dnc s SER 70 CO 0.00 -0.43 -0.04 -1.59 1.20 0.00 0.00 173.24 172.38 2dnc s LYS 71 N -4.18 0.31 -0.18 5.44 0.00 -1.26 -3.62 119.74 116.25 2dnc s LYS 71 Ca 0.48 -0.41 -0.06 0.00 0.00 0.00 0.00 55.97 55.97 2dnc s LYS 71 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 37.83 37.62 2dnc s LYS 71 CO 0.37 0.02 0.25 -1.71 0.00 0.00 0.00 175.35 174.27 2dnc n ASN 72 N 2.20 -4.45 -4.07 0.03 2.85 -0.79 -5.01 115.26 106.02 2dnc n ASN 72 Ca -0.19 0.21 -0.34 0.00 -0.11 0.00 0.00 54.58 54.15 2dnc n ASN 72 Cb 0.57 -2.81 -0.12 0.00 1.24 0.00 0.00 39.78 38.66 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2dnc s ILE 73 N -1.74 3.08 1.35 -1.44 -1.09 0.26 -4.81 121.20 116.82 2dnc s ILE 73 Ca 0.10 -2.54 -0.20 0.00 -2.23 0.00 0.00 60.65 55.78 2dnc s ILE 73 Cb -0.03 -3.11 0.34 0.00 -1.58 0.00 0.00 42.46 38.08 2dnc s ILE 73 CO 0.32 -0.74 0.85 0.54 -1.23 0.00 0.00 174.94 174.68 2dnc n ARG 74 N 4.02 -3.92 -2.93 2.79 1.74 -1.26 0.18 116.66 117.28 2dnc n ARG 74 Ca 0.03 -1.15 -0.31 0.00 -0.77 0.00 0.00 57.85 55.65 2dnc n ARG 74 Cb 0.39 -1.96 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 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 -7.03 3.89 -0.71 0.55 1.43 -1.25 -4.02 118.68 111.54 2dnc s LEU 75 Ca 0.66 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2dnc s LEU 75 Cb -0.16 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.03 2dnc s LEU 75 CO 0.59 -0.35 0.06 0.61 0.23 0.00 0.00 176.35 177.49 2dnc n GLY 76 N -1.06 0.06 3.32 -3.19 0.00 -1.23 -4.93 105.19 98.16 2dnc n GLY 76 Ca 0.03 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.68 4.05 -0.09 1.61 0.01 -1.26 -4.89 113.70 110.46 2dnc s SER 77 Ca 0.03 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 2dnc s SER 77 Cb -0.01 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 2dnc s SER 77 CO 0.04 0.07 1.67 -0.22 0.41 0.00 0.00 173.24 175.21 2dnc s LEU 78 N 0.93 4.21 -0.09 2.44 0.20 -1.26 -2.64 118.68 122.46 2dnc s LEU 78 Ca -0.02 2.11 0.12 0.00 0.69 0.00 0.00 54.13 57.03 2dnc s LEU 78 Cb -0.15 -3.53 -0.17 0.00 -0.43 0.00 0.00 46.19 41.91 2dnc s LEU 78 CO -0.00 -1.03 0.12 2.30 -0.29 0.00 0.00 176.35 177.44 2dnc n ILE 79 N 5.75 0.60 -3.51 6.68 -5.35 -0.13 -4.39 119.36 119.01 2dnc n ILE 79 Ca 0.18 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 2dnc n ILE 79 Cb 0.43 -0.41 -0.04 0.00 -1.74 0.00 0.00 39.64 37.88 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 -4.25 -0.49 -0.07 3.28 0.00 -1.24 0.11 107.32 104.66 2dnc s GLY 80 Ca -0.06 1.26 0.05 0.00 0.00 0.00 0.00 44.72 45.97 2dnc s GLY 80 CO 0.53 0.70 -0.22 -2.27 0.00 0.00 0.00 173.10 171.84 2dnc s LEU 81 N -1.72 2.24 0.09 0.66 1.98 -0.65 0.12 118.68 121.40 2dnc s LEU 81 Ca -0.03 -0.45 0.03 0.00 -2.89 0.00 0.00 54.13 50.79 2dnc s LEU 81 Cb -0.00 -1.43 -0.04 0.00 0.66 0.00 0.00 46.19 45.38 2dnc s LEU 81 CO -0.00 0.24 0.08 -0.63 -1.89 0.00 0.00 176.35 174.15 2dnc s ILE 82 N -0.12 4.48 0.02 6.68 1.01 0.30 -1.55 121.20 132.01 2dnc s ILE 82 Ca -0.04 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2dnc s ILE 82 Cb -0.14 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 2dnc s ILE 82 CO 0.04 0.10 -0.14 0.68 0.00 0.00 0.00 174.94 175.61 2dnc s VAL 83 N -1.43 1.14 -0.12 2.92 -7.23 -0.21 -0.31 120.40 115.17 2dnc s VAL 83 Ca 0.29 -0.83 -0.39 0.00 -1.81 0.00 0.00 61.98 59.24 2dnc s VAL 83 Cb -0.12 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.66 2dnc s VAL 83 CO 0.22 0.15 1.58 -0.62 -0.31 0.00 0.00 175.10 176.12 2dnc n GLU 84 N 2.27 1.17 -1.22 4.82 1.02 -1.26 -0.07 120.64 127.36 2dnc n GLU 84 Ca -0.16 0.42 -0.40 0.00 -0.02 0.00 0.00 57.16 57.00 2dnc n GLU 84 Cb 0.55 -2.09 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 2dnc n GLU 84 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2dnc n GLU 85 N 4.19 0.00 -3.17 3.49 0.00 -1.26 -3.10 120.64 120.79 2dnc n GLU 85 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.31 2dnc n GLU 85 Cb 0.16 -0.92 0.04 0.00 0.00 0.00 0.00 31.44 30.71 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dnc n GLY 86 N 2.07 -1.20 3.21 8.31 0.00 -1.26 -5.00 105.19 111.32 2dnc n GLY 86 Ca 0.12 0.53 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.76 0.91 -0.95 1.61 0.41 -1.18 -5.05 118.70 110.69 2dnc s GLU 87 Ca 0.25 -1.15 -0.22 0.00 -0.41 0.00 0.00 54.97 53.43 2dnc s GLU 87 Cb -0.03 0.31 -0.13 0.00 -1.78 0.00 0.00 34.13 32.50 2dnc s GLU 87 CO 0.75 -0.28 1.92 -0.40 -0.49 0.00 0.00 175.26 176.75 2dnc n ASP 88 N -0.08 2.77 0.00 -0.19 5.68 -1.26 -4.58 116.55 118.88 2dnc n ASP 88 Ca -0.11 -2.69 -0.11 0.00 -0.50 0.00 0.00 54.79 51.39 2dnc n ASP 88 Cb 0.63 -1.39 -0.09 0.00 -1.14 0.00 0.00 41.12 39.13 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2dnc h TRP 89 N 8.75 -0.10 -2.81 2.11 5.08 -1.95 -3.40 115.95 123.62 2dnc h TRP 89 Ca 0.33 -0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.67 2dnc h TRP 89 Cb 0.79 0.03 -0.14 0.00 -3.00 0.00 0.00 29.16 26.85 2dnc h TRP 89 CO 1.22 0.44 0.56 -1.59 -1.28 0.00 0.00 178.44 177.80 2dnc s LYS 90 N -3.00 3.17 -0.39 0.12 0.00 -1.26 -4.94 119.74 113.43 2dnc s LYS 90 Ca -0.13 -0.65 -0.39 0.00 0.00 0.00 0.00 55.97 54.80 2dnc s LYS 90 Cb -0.00 -4.17 -0.15 0.00 0.00 0.00 0.00 37.83 33.51 2dnc s LYS 90 CO 0.51 -1.72 2.11 0.72 0.00 0.00 0.00 175.35 176.97 2dnc n HIS 91 N 7.68 1.51 0.35 1.78 8.25 -1.26 -4.82 115.22 128.70 2dnc n HIS 91 Ca -0.02 0.49 -0.18 0.00 -0.26 0.00 0.00 57.72 57.74 2dnc n HIS 91 Cb 0.46 -2.44 -0.09 0.00 1.12 0.00 0.00 29.99 29.04 2dnc n HIS 91 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2dnc h VAL 92 N 6.82 0.11 0.00 1.59 2.07 -1.92 -3.35 116.25 121.56 2dnc h VAL 92 Ca -0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2dnc h VAL 92 Cb 1.35 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2dnc h VAL 92 CO 1.04 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.43 2dnc n SER 93 N -5.56 0.00 0.00 0.57 7.64 -1.26 -5.07 113.62 109.94 2dnc n SER 93 Ca -0.13 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2dnc n SER 93 Cb 0.45 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2dnc n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnc n GLY 94 N 1.56 -1.16 3.16 0.23 0.00 -1.26 -4.69 105.19 103.03 2dnc n GLY 94 Ca 0.00 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 2dnc n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnc n PRO 95 N 0.00 2.24 -4.35 1.61 -0.04 -1.26 -4.86 135.00 128.34 2dnc n PRO 95 Ca 0.00 -2.45 -0.18 0.00 -0.04 0.00 0.00 63.50 60.83 2dnc n PRO 95 Cb 0.00 -3.28 -0.10 0.00 -0.04 0.00 0.00 33.50 30.07 2dnc n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dnc s SER 96 N 4.58 1.75 0.03 3.54 1.04 -1.26 -5.07 113.70 118.31 2dnc s SER 96 Ca 0.56 -1.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.38 2dnc s SER 96 Cb 0.10 0.04 -0.17 0.00 0.10 0.00 0.00 66.02 66.08 2dnc s SER 96 CO 0.05 -0.60 1.32 0.28 0.98 0.00 0.00 173.24 175.27 2dnc h SER 97 N 2.36 -0.84 0.00 7.02 0.02 -1.99 -3.53 113.55 116.59 2dnc h SER 97 Ca -0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2dnc h SER 97 Cb 1.23 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2dnc h SER 97 CO 0.65 -0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.45