#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 1.88 0.00 1.61 7.64 -1.26 -4.95 113.62 118.53 2dnc n SER 2 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2dnc n SER 2 Cb 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 -4.49 0.00 -3.91 6.43 7.64 -1.26 -4.54 113.62 113.49 2dnc n SER 3 Ca -0.19 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.39 2dnc n SER 3 Cb 0.49 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.53 2dnc n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dnc s GLY 4 N 0.00 1.48 -0.69 0.23 0.00 -1.26 -5.07 107.32 102.01 2dnc s GLY 4 Ca 0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 44.72 42.54 2dnc s GLY 4 CO 0.00 1.14 1.36 -0.45 0.00 0.00 0.00 173.10 175.15 2dnc s SER 5 N 1.27 6.06 -0.23 1.64 0.15 -1.26 -4.93 113.70 116.41 2dnc s SER 5 Ca 0.05 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 2dnc s SER 5 Cb -0.18 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.68 2dnc s SER 5 CO -0.13 -1.87 0.24 -0.44 1.20 0.00 0.00 173.24 172.25 2dnc s SER 6 N 4.33 1.44 0.00 5.45 0.01 -1.26 -5.13 113.70 118.54 2dnc s SER 6 Ca 0.42 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2dnc s SER 6 Cb -0.09 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dnc s SER 6 CO 0.18 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2dnc n GLY 7 N 5.32 2.06 3.49 3.44 0.00 -1.26 -4.94 105.19 113.30 2dnc n GLY 7 Ca -0.05 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 5.02 -0.38 -0.61 1.01 0.48 -4.89 121.20 119.82 2dnc s ILE 8 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 2dnc s ILE 8 Cb 0.00 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2dnc s ILE 8 CO 0.00 -0.46 0.93 -1.59 0.00 0.00 0.00 174.94 173.82 2dnc s LYS 9 N 2.32 3.81 -0.13 2.79 -2.85 -1.26 0.14 119.74 124.55 2dnc s LYS 9 Ca 0.15 0.54 -0.29 0.00 -1.00 0.00 0.00 55.97 55.37 2dnc s LYS 9 Cb -0.16 -3.82 -0.02 0.00 -2.06 0.00 0.00 37.83 31.77 2dnc s LYS 9 CO 0.15 -0.99 1.28 0.42 0.10 0.00 0.00 175.35 176.31 2dnc s ILE 10 N 3.53 4.21 -0.05 3.79 1.01 0.13 -4.98 121.20 128.84 2dnc s ILE 10 Ca 0.38 1.48 0.04 0.00 0.00 0.00 0.00 60.65 62.56 2dnc s ILE 10 Cb -0.12 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2dnc s ILE 10 CO 0.20 -0.10 -0.16 -0.76 0.00 0.00 0.00 174.94 174.11 2dnc s LEU 11 N 3.25 2.60 -0.33 2.97 1.43 -1.26 -2.60 118.68 124.75 2dnc s LEU 11 Ca 0.56 -0.26 -0.37 0.00 -1.03 0.00 0.00 54.13 53.04 2dnc s LEU 11 Cb -0.23 -1.52 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 2dnc s LEU 11 CO 0.17 0.33 2.09 0.80 0.23 0.00 0.00 176.35 179.97 2dnc n MET 12 N 2.42 1.08 -2.12 1.70 0.00 -1.11 -4.86 117.12 114.23 2dnc n MET 12 Ca -0.17 0.32 -0.33 0.00 -0.00 0.00 0.00 57.70 57.53 2dnc n MET 12 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.40 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 5.61 3.43 -1.13 2.12 0.04 -1.26 -3.76 135.00 140.05 2dnc s PRO 13 Ca 1.07 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 2dnc s PRO 13 Cb -0.93 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.43 2dnc s PRO 13 CO 0.53 -0.72 3.13 0.43 0.04 0.00 0.00 177.00 180.42 2dnc n SER 14 N -1.91 7.71 -0.33 6.66 7.64 -1.26 -4.66 113.62 127.47 2dnc n SER 14 Ca 0.08 -2.58 0.22 0.00 1.01 0.00 0.00 58.87 57.60 2dnc n SER 14 Cb 0.53 -1.51 0.42 0.00 -1.01 0.00 0.00 64.21 62.64 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 6.32 -0.09 -9.79 -3.43 3.38 -1.95 -3.38 115.31 106.37 2dnc h LEU 15 Ca 0.67 0.26 -0.62 0.00 0.09 0.00 0.00 57.88 58.28 2dnc h LEU 15 Cb 0.64 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2dnc h LEU 15 CO 1.32 -0.37 -0.55 -0.44 0.09 0.00 0.00 178.44 178.49 2dnc s SER 16 N -4.82 5.96 0.24 -0.43 0.01 -1.26 -4.99 113.70 108.41 2dnc s SER 16 Ca -0.11 0.13 0.25 0.00 1.31 0.00 0.00 55.95 57.53 2dnc s SER 16 Cb 0.31 -1.73 0.90 0.00 0.21 0.00 0.00 66.02 65.71 2dnc s SER 16 CO 0.78 0.16 1.75 -0.81 0.41 0.00 0.00 173.24 175.53 2dnc n PRO 17 N 0.31 0.24 -2.81 12.44 -0.04 -1.26 -3.60 135.00 140.27 2dnc n PRO 17 Ca -0.07 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2dnc n PRO 17 Cb 0.51 -1.85 0.01 0.00 -0.04 0.00 0.00 33.50 32.14 2dnc n PRO 17 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dnc n THR 18 N -2.27 0.72 -3.91 0.52 -2.24 -1.26 -5.07 114.28 100.77 2dnc n THR 18 Ca 0.04 -3.57 -0.35 0.00 -2.27 0.00 0.00 64.05 57.90 2dnc n THR 18 Cb 0.33 0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.94 3.07 0.12 -0.78 0.00 -1.24 -4.96 119.30 112.57 2dnc s MET 19 Ca 0.32 -0.83 0.07 0.00 0.00 0.00 0.00 55.69 55.24 2dnc s MET 19 Cb 0.42 -3.05 -0.20 0.00 0.00 0.00 0.00 34.83 32.00 2dnc s MET 19 CO -0.00 -0.33 1.28 1.49 0.00 0.00 0.00 175.02 177.45 2dnc h GLU 20 N 8.09 0.01 -2.78 4.11 4.81 -1.96 -3.46 114.58 123.39 2dnc h GLU 20 Ca -0.36 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.95 2dnc h GLU 20 Cb 1.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2dnc h GLU 20 CO 0.59 1.00 0.35 -1.83 -0.73 0.00 0.00 179.01 178.40 2dnc s GLU 21 N -2.72 1.71 0.14 1.92 -1.05 -1.26 -3.29 118.70 114.14 2dnc s GLU 21 Ca 0.01 -1.02 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 2dnc s GLU 21 Cb 0.10 0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 34.31 2dnc s GLU 21 CO 0.82 -0.79 0.11 0.41 0.95 0.00 0.00 175.26 176.77 2dnc n GLY 22 N -0.52 3.58 3.14 -3.83 0.00 0.63 -4.83 105.19 103.36 2dnc n GLY 22 Ca -0.06 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.95 0.04 -0.26 1.61 0.01 -1.22 0.16 114.94 113.33 2dnc s ASN 23 Ca 0.16 0.78 -0.29 0.00 -0.71 0.00 0.00 52.86 52.81 2dnc s ASN 23 Cb 0.01 1.06 -0.02 0.00 0.41 0.00 0.00 41.25 42.72 2dnc s ASN 23 CO 0.11 -0.24 1.50 -0.63 -1.51 0.00 0.00 177.10 176.33 2dnc s ILE 24 N 2.53 3.86 -0.06 0.60 1.09 -1.23 -0.04 121.20 127.95 2dnc s ILE 24 Ca 0.00 0.96 -0.14 0.00 -1.10 0.00 0.00 60.65 60.38 2dnc s ILE 24 Cb -0.12 -3.88 -0.09 0.00 -1.06 0.00 0.00 42.46 37.31 2dnc s ILE 24 CO -0.11 -0.37 0.55 0.58 -0.10 0.00 0.00 174.94 175.48 2dnc h VAL 25 N 6.10 0.27 -2.72 2.92 2.07 -0.25 -0.26 116.25 124.38 2dnc h VAL 25 Ca -0.31 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 2dnc h VAL 25 Cb 1.13 0.47 -0.22 0.00 -1.52 0.00 0.00 31.29 31.15 2dnc h VAL 25 CO 1.02 0.08 -0.19 -0.75 0.02 0.00 0.00 177.57 177.74 2dnc s LYS 26 N -2.89 0.61 -0.12 1.57 2.20 -1.26 -2.95 119.74 116.90 2dnc s LYS 26 Ca -0.08 0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.62 2dnc s LYS 26 Cb 0.00 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 2dnc s LYS 26 CO 0.26 -0.12 0.82 -1.58 -0.36 0.00 0.00 175.35 174.36 2dnc s TRP 27 N -0.36 3.50 -0.82 4.03 0.52 -1.26 -1.22 118.94 123.33 2dnc s TRP 27 Ca -0.05 1.32 0.26 0.00 0.02 0.00 0.00 56.10 57.65 2dnc s TRP 27 Cb -0.03 -2.97 0.71 0.00 -1.15 0.00 0.00 33.47 30.03 2dnc s TRP 27 CO 0.03 -0.12 1.61 1.28 0.02 0.00 0.00 176.95 179.77 2dnc n LEU 28 N 4.64 0.53 -4.42 2.99 4.77 0.49 -4.85 117.00 121.15 2dnc n LEU 28 Ca 0.03 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.14 2dnc n LEU 28 Cb 0.50 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 2dnc n LEU 28 CO 0.48 -0.04 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.53 2dnc s LYS 29 N -3.08 1.53 0.35 3.23 -0.14 -0.67 -4.95 119.74 116.02 2dnc s LYS 29 Ca 0.10 -1.72 0.08 0.00 -1.36 0.00 0.00 55.97 53.07 2dnc s LYS 29 Cb 0.15 -1.38 -0.05 0.00 -1.68 0.00 0.00 37.83 34.87 2dnc s LYS 29 CO 0.64 0.19 0.07 0.15 -0.76 0.00 0.00 175.35 175.63 2dnc s LYS 30 N -3.62 2.16 -0.20 1.68 -0.14 -1.26 -5.03 119.74 113.32 2dnc s LYS 30 Ca 0.27 -1.74 -0.29 0.00 -1.36 0.00 0.00 55.97 52.85 2dnc s LYS 30 Cb -0.01 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 34.15 2dnc s LYS 30 CO 0.11 0.08 1.39 -1.21 -0.76 0.00 0.00 175.35 174.97 2dnc s GLU 31 N -3.77 4.05 0.00 1.68 2.02 -1.26 -2.34 118.70 119.06 2dnc s GLU 31 Ca 0.36 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.96 2dnc s GLU 31 Cb 0.01 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2dnc s GLU 31 CO 0.20 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2dnc n GLY 32 N 4.09 2.70 3.79 -1.39 0.00 0.17 -5.02 105.19 109.52 2dnc n GLY 32 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.41 2.43 0.67 1.61 0.41 -0.99 -4.60 118.70 117.83 2dnc s GLU 33 Ca 0.00 1.04 -0.08 0.00 -0.41 0.00 0.00 54.97 55.53 2dnc s GLU 33 Cb 0.00 -1.93 0.03 0.00 -1.78 0.00 0.00 34.13 30.46 2dnc s GLU 33 CO 0.00 -1.49 1.00 0.00 -0.49 0.00 0.00 175.26 174.29 2dnc s ALA 34 N -2.97 3.11 0.01 5.21 0.00 -1.26 0.39 121.76 126.24 2dnc s ALA 34 Ca 0.60 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 2dnc s ALA 34 Cb -0.16 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2dnc s ALA 34 CO 0.56 -1.12 0.05 0.08 0.00 0.00 0.00 175.76 175.33 2dnc s VAL 35 N -3.20 0.08 0.00 0.00 1.01 0.50 -4.73 120.40 114.06 2dnc s VAL 35 Ca 0.58 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2dnc s VAL 35 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2dnc s VAL 35 CO 0.47 -0.37 -0.08 -0.44 0.00 0.00 0.00 175.10 174.67 2dnc s SER 36 N -1.17 0.98 0.19 3.32 0.01 -1.26 -1.46 113.70 114.31 2dnc s SER 36 Ca -0.13 -0.20 -0.33 0.00 1.31 0.00 0.00 55.95 56.60 2dnc s SER 36 Cb -0.07 -0.09 -0.14 0.00 0.21 0.00 0.00 66.02 65.92 2dnc s SER 36 CO 0.00 0.07 1.51 0.00 0.41 0.00 0.00 173.24 175.23 2dnc n ALA 37 N 2.70 1.22 0.00 1.44 0.00 -1.22 -0.85 120.51 123.80 2dnc n ALA 37 Ca -0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2dnc n ALA 37 Cb 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 2.95 2.94 3.75 0.00 0.00 -0.16 -4.94 105.19 109.73 2dnc n GLY 38 Ca 0.15 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 0.59 5.18 0.31 1.61 1.11 -0.03 -4.48 116.67 120.96 2dnc s ASP 39 Ca 0.00 2.41 -0.27 0.00 0.18 0.00 0.00 52.55 54.87 2dnc s ASP 39 Cb 0.00 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.29 2dnc s ASP 39 CO 0.00 -1.60 0.96 0.00 1.18 0.00 0.00 175.17 175.71 2dnc s ALA 40 N -1.57 3.24 -0.14 5.23 0.00 -1.26 0.68 121.76 127.93 2dnc s ALA 40 Ca 0.77 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 53.22 2dnc s ALA 40 Cb -0.31 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 2dnc s ALA 40 CO 0.34 0.14 -0.22 1.28 0.00 0.00 0.00 175.76 177.30 2dnc n LEU 41 N 0.76 1.31 -3.94 0.00 4.77 0.23 -4.67 117.00 115.46 2dnc n LEU 41 Ca 0.01 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 2dnc n LEU 41 Cb 0.49 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2dnc n LEU 41 CO 0.46 0.14 0.32 0.00 -1.33 0.00 0.00 177.39 176.98 2dnc s GLU 43 N -3.31 3.88 -0.07 0.00 2.02 -0.36 0.11 118.70 120.98 2dnc s GLU 43 Ca 0.20 -0.37 -0.08 0.00 0.02 0.00 0.00 54.97 54.75 2dnc s GLU 43 Cb -0.03 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2dnc s GLU 43 CO 0.12 -0.03 0.21 0.42 0.02 0.00 0.00 175.26 176.00 2dnc s ILE 44 N 1.25 5.39 -0.16 -1.63 -1.09 0.46 0.50 121.20 125.92 2dnc s ILE 44 Ca 0.06 0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 58.64 2dnc s ILE 44 Cb -0.14 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 2dnc s ILE 44 CO 0.05 0.56 0.26 -0.70 -1.23 0.00 0.00 174.94 173.88 2dnc s GLU 45 N -1.21 4.18 0.00 2.79 2.12 0.94 -2.51 118.70 125.01 2dnc s GLU 45 Ca 0.19 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 2dnc s GLU 45 Cb -0.13 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 2dnc s GLU 45 CO 0.08 0.31 0.02 0.95 -0.54 0.00 0.00 175.26 176.07 2dnc s THR 46 N 0.28 0.05 0.48 -1.70 -4.23 -1.13 -3.39 115.64 105.99 2dnc s THR 46 Ca 0.15 -0.43 0.22 0.00 -1.18 0.00 0.00 61.69 60.45 2dnc s THR 46 Cb -0.13 -0.17 0.39 0.00 1.34 0.00 0.00 72.50 73.94 2dnc s THR 46 CO 0.03 -0.23 1.93 -2.24 -0.54 0.00 0.00 174.62 173.57 2dnc h ASP 47 N 5.36 0.21 0.66 3.99 2.03 -1.98 -1.89 116.42 124.80 2dnc h ASP 47 Ca -0.28 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.00 2dnc h ASP 47 Cb 1.21 -0.03 0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2dnc h ASP 47 CO 0.45 0.10 -0.32 0.11 -1.03 0.00 0.00 179.24 178.55 2dnc h LYS 48 N 0.22 -0.86 0.00 4.15 1.79 -1.99 -3.49 116.57 116.39 2dnc h LYS 48 Ca 0.36 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2dnc h LYS 48 Cb 1.09 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2dnc h LYS 48 CO -0.07 -0.57 0.00 0.00 -1.08 0.00 0.00 179.45 177.72 2dnc n ALA 49 N -2.44 0.00 -2.57 3.86 0.00 -0.71 -5.12 120.51 113.53 2dnc n ALA 49 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2dnc n ALA 49 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.41 4.73 0.29 0.00 0.11 -1.26 -2.84 120.40 119.02 2dnc s VAL 50 Ca 0.00 0.67 0.11 0.00 -2.93 0.00 0.00 61.98 59.83 2dnc s VAL 50 Cb 0.00 -4.22 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 2dnc s VAL 50 CO 0.00 -0.51 -0.10 0.68 -3.33 0.00 0.00 175.10 171.85 2dnc s VAL 51 N 3.09 2.74 0.02 2.04 -7.23 -1.05 -5.03 120.40 114.98 2dnc s VAL 51 Ca 0.29 -2.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 2dnc s VAL 51 Cb -0.13 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 2dnc s VAL 51 CO 0.18 -0.33 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.58 2dnc s THR 52 N -2.47 2.85 -0.39 5.32 2.01 -1.26 -0.40 115.64 121.29 2dnc s THR 52 Ca 0.32 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.00 2dnc s THR 52 Cb -0.04 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.31 2dnc s THR 52 CO 0.17 0.40 0.82 -0.22 -0.69 0.00 0.00 174.62 175.10 2dnc s LEU 53 N -1.28 4.11 0.13 4.42 0.20 0.30 -4.82 118.68 121.74 2dnc s LEU 53 Ca 0.14 0.28 -0.14 0.00 0.69 0.00 0.00 54.13 55.11 2dnc s LEU 53 Cb -0.11 -3.07 -0.07 0.00 -0.43 0.00 0.00 46.19 42.52 2dnc s LEU 53 CO 0.04 -0.82 0.52 -1.81 -0.29 0.00 0.00 176.35 173.99 2dnc s ASP 54 N 1.95 6.80 0.35 3.68 1.11 -1.26 0.78 116.67 130.08 2dnc s ASP 54 Ca 0.33 1.03 -0.28 0.00 0.18 0.00 0.00 52.55 53.82 2dnc s ASP 54 Cb -0.12 -2.27 -0.09 0.00 1.07 0.00 0.00 42.92 41.50 2dnc s ASP 54 CO 0.19 0.13 1.23 0.00 1.18 0.00 0.00 175.17 177.90 2dnc s ALA 55 N -1.43 3.35 -0.21 5.23 0.00 0.21 -4.85 121.76 124.06 2dnc s ALA 55 Ca 0.36 1.10 0.22 0.00 0.00 0.00 0.00 51.96 53.65 2dnc s ALA 55 Cb -0.15 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 19.35 2dnc s ALA 55 CO 0.19 -0.54 0.71 0.45 0.00 0.00 0.00 175.76 176.57 2dnc n SER 56 N 0.59 0.35 -4.09 0.00 2.88 -1.26 -0.99 113.62 111.10 2dnc n SER 56 Ca 0.01 -0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 2dnc n SER 56 Cb 0.44 1.40 -0.07 0.00 -0.75 0.00 0.00 64.21 65.23 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 -4.56 0.02 -0.23 -3.46 1.01 -1.26 -4.82 116.67 103.37 2dnc s ASP 57 Ca -0.04 -1.14 -0.09 0.00 0.71 0.00 0.00 52.55 52.00 2dnc s ASP 57 Cb 0.13 0.49 -0.04 0.00 1.01 0.00 0.00 42.92 44.51 2dnc s ASP 57 CO 0.86 -1.00 0.12 1.51 0.21 0.00 0.00 175.17 176.87 2dnc s ASP 58 N -3.08 5.75 0.14 0.27 1.47 -1.26 -3.44 116.67 116.51 2dnc s ASP 58 Ca 0.30 0.01 -0.24 0.00 1.18 0.00 0.00 52.55 53.80 2dnc s ASP 58 Cb 0.03 -2.03 0.08 0.00 -0.34 0.00 0.00 42.92 40.66 2dnc s ASP 58 CO 0.10 0.05 1.09 -0.83 0.68 0.00 0.00 175.17 176.26 2dnc s GLY 59 N 1.11 0.04 -0.12 2.12 0.00 -0.54 -4.77 107.32 105.16 2dnc s GLY 59 Ca 0.06 -0.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.43 2dnc s GLY 59 CO 0.04 2.84 0.30 -0.42 0.00 0.00 0.00 173.10 175.86 2dnc s ILE 60 N -2.20 5.27 -0.91 0.90 -1.09 0.94 0.19 121.20 124.30 2dnc s ILE 60 Ca 0.23 0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 58.96 2dnc s ILE 60 Cb -0.02 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 37.16 2dnc s ILE 60 CO 0.04 0.46 2.07 -0.22 -1.23 0.00 0.00 174.94 176.06 2dnc s LEU 61 N -0.09 3.04 0.07 2.97 0.20 0.16 0.17 118.68 125.19 2dnc s LEU 61 Ca 0.18 -0.61 -0.20 0.00 0.69 0.00 0.00 54.13 54.19 2dnc s LEU 61 Cb -0.14 -2.56 -0.08 0.00 -0.43 0.00 0.00 46.19 42.98 2dnc s LEU 61 CO 0.06 -3.17 1.33 0.00 -0.29 0.00 0.00 176.35 174.28 2dnc h ALA 62 N 11.49 -0.75 -2.87 5.97 0.00 0.12 0.49 119.26 133.70 2dnc h ALA 62 Ca 0.08 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2dnc h ALA 62 Cb 1.00 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 2dnc h ALA 62 CO 1.15 -0.85 -0.18 -1.59 0.00 0.00 0.00 179.25 177.77 2dnc s LYS 63 N -4.61 1.76 -0.58 0.00 -2.85 -0.97 -4.25 119.74 108.23 2dnc s LYS 63 Ca -0.09 -1.58 0.04 0.00 -1.00 0.00 0.00 55.97 53.34 2dnc s LYS 63 Cb 0.04 0.45 0.15 0.00 -2.06 0.00 0.00 37.83 36.41 2dnc s LYS 63 CO 0.36 -0.73 0.38 0.42 0.10 0.00 0.00 175.35 175.88 2dnc s ILE 64 N -3.40 2.32 0.16 3.79 1.01 -1.26 -1.45 121.20 122.37 2dnc s ILE 64 Ca 0.28 -3.59 -0.30 0.00 0.00 0.00 0.00 60.65 57.04 2dnc s ILE 64 Cb -0.00 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2dnc s ILE 64 CO 0.16 -0.96 1.53 0.52 0.00 0.00 0.00 174.94 176.19 2dnc n VAL 65 N 2.61 -0.67 -3.79 2.92 0.31 0.31 -3.80 118.33 116.22 2dnc n VAL 65 Ca 0.15 2.40 -0.37 0.00 -0.01 0.00 0.00 64.34 66.52 2dnc n VAL 65 Cb 0.35 -2.98 -0.13 0.00 -0.91 0.00 0.00 33.84 30.18 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 -5.52 3.89 0.98 2.52 1.01 0.32 -4.96 120.40 118.64 2dnc s VAL 66 Ca -0.12 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2dnc s VAL 66 Cb 0.11 -2.96 0.20 0.00 0.00 0.00 0.00 36.38 33.74 2dnc s VAL 66 CO 0.62 0.15 1.30 -1.61 0.00 0.00 0.00 175.10 175.56 2dnc s GLU 67 N 1.50 0.51 0.89 2.72 0.41 -1.25 -4.82 118.70 118.67 2dnc s GLU 67 Ca 0.03 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.13 2dnc s GLU 67 Cb -0.17 -1.83 0.12 0.00 -1.78 0.00 0.00 34.13 30.48 2dnc s GLU 67 CO 0.02 -2.51 1.09 -1.83 -0.49 0.00 0.00 175.26 171.54 2dnc s GLU 68 N -5.83 1.31 0.00 1.61 -1.05 -1.26 -3.41 118.70 110.07 2dnc s GLU 68 Ca 0.73 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.50 2dnc s GLU 68 Cb -0.05 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 2dnc s GLU 68 CO 0.53 -2.24 0.00 0.41 0.95 0.00 0.00 175.26 174.91 2dnc n GLY 69 N -0.93 2.10 3.66 -3.83 0.00 -0.12 -5.00 105.19 101.07 2dnc n GLY 69 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.48 2.44 0.16 1.61 0.15 -1.19 -4.96 113.70 108.43 2dnc s SER 70 Ca 0.00 1.21 -0.19 0.00 0.70 0.00 0.00 55.95 57.68 2dnc s SER 70 Cb 0.00 -1.89 0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2dnc s SER 70 CO 0.00 -3.25 0.51 -1.59 1.20 0.00 0.00 173.24 170.10 2dnc s LYS 71 N -4.92 1.25 -1.01 5.44 0.00 -1.26 -3.58 119.74 115.66 2dnc s LYS 71 Ca 0.66 -0.70 -0.05 0.00 0.00 0.00 0.00 55.97 55.87 2dnc s LYS 71 Cb -0.19 0.52 -0.06 0.00 0.00 0.00 0.00 37.83 38.10 2dnc s LYS 71 CO 0.58 -0.52 0.88 0.09 0.00 0.00 0.00 175.35 176.38 2dnc n ASN 72 N -0.31 -6.12 -4.24 0.03 4.13 -1.00 -4.95 115.26 102.79 2dnc n ASN 72 Ca -0.14 -0.67 -0.42 0.00 1.68 0.00 0.00 54.58 55.03 2dnc n ASN 72 Cb 0.64 -4.99 -0.04 0.00 -1.54 0.00 0.00 39.78 33.84 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 -3.37 5.10 1.24 2.41 -1.09 0.43 -4.86 121.20 121.06 2dnc s ILE 73 Ca 0.41 -3.04 -0.18 0.00 -2.23 0.00 0.00 60.65 55.61 2dnc s ILE 73 Cb -0.05 -4.15 0.27 0.00 -1.58 0.00 0.00 42.46 36.95 2dnc s ILE 73 CO 0.70 -1.04 0.60 0.54 -1.23 0.00 0.00 174.94 174.52 2dnc n ARG 74 N 3.29 -3.38 -2.90 2.79 1.74 -1.26 -0.27 116.66 116.68 2dnc n ARG 74 Ca 0.16 -1.00 -0.32 0.00 -0.77 0.00 0.00 57.85 55.92 2dnc n ARG 74 Cb 0.42 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 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 -4.15 3.93 -0.61 0.55 1.43 -1.21 -3.99 118.68 114.64 2dnc s LEU 75 Ca 0.54 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2dnc s LEU 75 Cb -0.11 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2dnc s LEU 75 CO 0.49 -0.33 0.33 0.61 0.23 0.00 0.00 176.35 177.68 2dnc n GLY 76 N -0.75 0.25 3.53 -3.19 0.00 -1.25 -4.95 105.19 98.84 2dnc n GLY 76 Ca 0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2dnc n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 77 N -2.97 4.21 -0.33 1.61 0.15 -1.26 -4.91 113.70 110.20 2dnc s SER 77 Ca 0.16 -0.37 -0.26 0.00 0.70 0.00 0.00 55.95 56.19 2dnc s SER 77 Cb -0.07 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.46 2dnc s SER 77 CO 0.20 0.22 0.90 -0.76 1.20 0.00 0.00 173.24 175.01 2dnc s LEU 78 N -1.82 4.03 -0.09 3.45 1.43 -1.26 -2.73 118.68 121.69 2dnc s LEU 78 Ca 0.18 0.75 0.07 0.00 -1.03 0.00 0.00 54.13 54.10 2dnc s LEU 78 Cb -0.11 -3.25 -0.11 0.00 0.03 0.00 0.00 46.19 42.75 2dnc s LEU 78 CO 0.10 -0.75 0.01 2.30 0.23 0.00 0.00 176.35 178.24 2dnc n ILE 79 N 5.74 0.63 -3.51 -0.59 -5.35 -1.07 -3.94 119.36 111.27 2dnc n ILE 79 Ca 0.07 -0.36 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 2dnc n ILE 79 Cb 0.48 -0.78 -0.04 0.00 -1.74 0.00 0.00 39.64 37.55 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 -4.27 -0.50 -0.08 3.28 0.00 -1.25 0.11 107.32 104.61 2dnc s GLY 80 Ca -0.06 1.24 0.04 0.00 0.00 0.00 0.00 44.72 45.94 2dnc s GLY 80 CO 0.35 0.70 -0.20 -2.27 0.00 0.00 0.00 173.10 171.68 2dnc s LEU 81 N -1.71 2.33 0.14 0.66 1.98 -0.53 0.21 118.68 121.77 2dnc s LEU 81 Ca -0.04 -0.42 0.04 0.00 -2.89 0.00 0.00 54.13 50.82 2dnc s LEU 81 Cb -0.00 -1.46 -0.04 0.00 0.66 0.00 0.00 46.19 45.35 2dnc s LEU 81 CO 0.00 0.24 0.17 -0.63 -1.89 0.00 0.00 176.35 174.24 2dnc s ILE 82 N -0.10 4.73 -0.01 6.68 1.01 0.36 0.16 121.20 134.02 2dnc s ILE 82 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2dnc s ILE 82 Cb -0.14 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2dnc s ILE 82 CO 0.04 -0.06 0.02 0.68 0.00 0.00 0.00 174.94 175.61 2dnc s VAL 83 N -1.69 -0.02 -0.26 2.92 -7.23 0.13 -0.39 120.40 113.86 2dnc s VAL 83 Ca 0.32 0.12 -0.42 0.00 -1.81 0.00 0.00 61.98 60.19 2dnc s VAL 83 Cb -0.11 -0.07 -0.17 0.00 0.56 0.00 0.00 36.38 36.59 2dnc s VAL 83 CO 0.25 0.06 1.58 -0.62 -0.31 0.00 0.00 175.10 176.05 2dnc n GLU 84 N 3.74 0.70 -1.62 4.82 1.02 -1.26 -0.04 120.64 127.99 2dnc n GLU 84 Ca -0.21 0.26 -0.63 0.00 -0.02 0.00 0.00 57.16 56.55 2dnc n GLU 84 Cb 0.54 -1.86 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 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 4.18 0.00 0.00 3.49 1.02 -1.26 -1.65 120.64 126.42 2dnc n GLU 85 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2dnc n GLU 85 Cb 0.08 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 2.89 2.95 3.52 0.62 0.00 -1.26 -5.04 105.19 108.88 2dnc n GLY 86 Ca 0.26 -0.85 -0.58 0.00 0.00 0.00 0.00 46.02 44.85 2dnc n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dnc n GLU 87 N 0.00 0.23 -1.58 1.61 -0.58 -0.66 -4.66 120.64 115.00 2dnc n GLU 87 Ca 0.00 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.61 2dnc n GLU 87 Cb 0.00 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.20 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dnc s ASP 88 N 0.18 4.11 0.15 1.62 1.01 -1.26 -4.75 116.67 117.73 2dnc s ASP 88 Ca 0.90 0.39 -0.17 0.00 0.71 0.00 0.00 52.55 54.39 2dnc s ASP 88 Cb -1.21 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 40.19 2dnc s ASP 88 CO 0.56 -3.50 1.80 4.11 0.21 0.00 0.00 175.17 178.34 2dnc h TRP 89 N 15.10 0.42 -1.16 4.23 5.08 -1.94 -3.39 115.95 134.29 2dnc h TRP 89 Ca -0.08 0.01 -0.48 0.00 1.08 0.00 0.00 58.89 59.42 2dnc h TRP 89 Cb 1.10 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 2dnc h TRP 89 CO 1.09 0.26 1.66 1.17 -1.28 0.00 0.00 178.44 181.34 2dnc n LYS 90 N -4.86 0.77 -0.22 0.12 4.81 -1.26 -4.78 118.16 112.73 2dnc n LYS 90 Ca -0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2dnc n LYS 90 Cb 0.04 -2.90 0.01 0.00 0.02 0.00 0.00 35.03 32.20 2dnc n LYS 90 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 2dnc h HIS 91 N 17.35 -0.91 -2.78 5.64 2.07 -1.96 -3.40 115.15 131.16 2dnc h HIS 91 Ca -0.19 0.07 -0.59 0.00 -2.85 0.00 0.00 60.37 56.81 2dnc h HIS 91 Cb 1.28 0.49 0.12 0.00 2.57 0.00 0.00 27.41 31.87 2dnc h HIS 91 CO 1.00 -0.38 0.21 1.55 -3.07 0.00 0.00 177.93 177.23 2dnc n VAL 92 N -5.44 2.09 -4.23 6.12 3.14 -1.26 -4.99 118.33 113.76 2dnc n VAL 92 Ca 0.05 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.74 2dnc n VAL 92 Cb 0.36 -1.15 -0.12 0.00 -1.06 0.00 0.00 33.84 31.87 2dnc n VAL 92 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2dnc s SER 93 N -0.55 2.00 0.57 6.55 0.15 -1.26 -5.06 113.70 116.10 2dnc s SER 93 Ca 0.59 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2dnc s SER 93 Cb -0.64 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2dnc s SER 93 CO 0.60 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2dnc n GLY 94 N 0.93 -3.56 3.79 9.45 0.00 -1.26 -4.92 105.19 109.62 2dnc n GLY 94 Ca -0.18 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 -4.58 1.23 0.27 1.61 0.04 -1.26 -5.02 135.00 127.30 2dnc s PRO 95 Ca 0.00 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.07 2dnc s PRO 95 Cb 0.00 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2dnc s PRO 95 CO 0.00 -2.14 0.99 -1.54 0.04 0.00 0.00 177.00 174.35 2dnc s SER 96 N -4.02 7.45 0.78 6.66 1.04 -1.26 -5.01 113.70 119.34 2dnc s SER 96 Ca 0.63 2.02 -0.14 0.00 0.48 0.00 0.00 55.95 58.94 2dnc s SER 96 Cb -0.15 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.40 2dnc s SER 96 CO 0.53 0.01 0.96 -1.20 0.98 0.00 0.00 173.24 174.52 2dnc n SER 97 N 1.18 0.25 0.00 7.02 7.64 -1.26 -5.30 113.62 123.14 2dnc n SER 97 Ca -0.01 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2dnc n SER 97 Cb 0.47 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64