#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 1.58 -3.50 1.61 7.64 -1.26 -4.89 113.62 114.79 2dnc n SER 2 Ca 0.00 0.73 -0.06 0.00 1.01 0.00 0.00 58.87 60.55 2dnc n SER 2 Cb 0.00 -1.06 -0.07 0.00 -1.01 0.00 0.00 64.21 62.07 2dnc n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dnc s SER 3 N 5.58 -0.36 0.21 6.43 0.15 -1.26 -5.16 113.70 119.29 2dnc s SER 3 Ca 1.11 0.83 0.06 0.00 0.70 0.00 0.00 55.95 58.64 2dnc s SER 3 Cb -1.21 1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2dnc s SER 3 CO 0.62 -0.25 0.20 -0.83 1.20 0.00 0.00 173.24 174.18 2dnc s GLY 4 N 2.66 1.51 0.08 9.45 0.00 -1.26 -5.05 107.32 114.71 2dnc s GLY 4 Ca 0.05 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 2dnc s GLY 4 CO -0.15 -1.34 -0.01 1.44 0.00 0.00 0.00 173.10 173.04 2dnc n SER 5 N -0.88 0.95 -4.17 1.64 7.64 -1.26 -5.10 113.62 112.44 2dnc n SER 5 Ca -0.08 0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 2dnc n SER 5 Cb 0.56 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 2dnc n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dnc s SER 6 N -5.83 1.44 0.00 6.43 1.04 -1.26 -5.11 113.70 110.41 2dnc s SER 6 Ca -0.01 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2dnc s SER 6 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2dnc s SER 6 CO 0.01 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2dnc n GLY 7 N 0.61 -0.97 3.25 7.32 0.00 -1.26 -4.94 105.19 109.20 2dnc n GLY 7 Ca -0.16 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.74 4.16 -0.33 -0.61 1.01 0.16 -4.92 121.20 119.93 2dnc s ILE 8 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 60.65 58.86 2dnc s ILE 8 Cb 0.00 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2dnc s ILE 8 CO 0.00 -0.56 1.25 -1.59 0.00 0.00 0.00 174.94 174.04 2dnc s LYS 9 N 1.40 3.89 -0.56 2.79 -2.85 -1.26 -0.34 119.74 122.80 2dnc s LYS 9 Ca 0.04 1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 55.87 2dnc s LYS 9 Cb -0.24 -3.87 0.04 0.00 -2.06 0.00 0.00 37.83 31.71 2dnc s LYS 9 CO 0.01 -1.15 0.96 0.42 0.10 0.00 0.00 175.35 175.69 2dnc s ILE 10 N 4.35 4.36 -0.05 3.79 1.01 -0.08 -5.01 121.20 129.57 2dnc s ILE 10 Ca 0.54 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 2dnc s ILE 10 Cb -0.14 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 2dnc s ILE 10 CO 0.23 -1.15 0.31 -0.76 0.00 0.00 0.00 174.94 173.57 2dnc s LEU 11 N 4.03 4.43 -0.32 2.97 1.43 -1.26 -2.61 118.68 127.36 2dnc s LEU 11 Ca 0.31 0.77 -0.39 0.00 -1.03 0.00 0.00 54.13 53.78 2dnc s LEU 11 Cb -0.12 -2.40 -0.15 0.00 0.03 0.00 0.00 46.19 43.55 2dnc s LEU 11 CO 0.19 0.34 1.89 0.80 0.23 0.00 0.00 176.35 179.79 2dnc n MET 12 N 2.00 1.04 -1.68 1.70 0.00 0.02 -4.76 117.12 115.44 2dnc n MET 12 Ca -0.16 0.36 -0.31 0.00 -0.00 0.00 0.00 57.70 57.59 2dnc n MET 12 Cb 0.53 -2.14 0.04 0.00 0.00 0.00 0.00 33.22 31.65 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 4.40 3.03 -1.02 2.12 0.04 -1.26 -2.74 135.00 139.58 2dnc s PRO 13 Ca 1.03 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2dnc s PRO 13 Cb -1.06 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 31.55 2dnc s PRO 13 CO 0.62 -1.02 2.61 0.43 0.04 0.00 0.00 177.00 179.67 2dnc n SER 14 N -2.89 7.50 -0.33 6.66 7.64 -1.26 -4.72 113.62 126.22 2dnc n SER 14 Ca 0.08 -3.09 0.18 0.00 1.01 0.00 0.00 58.87 57.04 2dnc n SER 14 Cb 0.53 -1.34 0.35 0.00 -1.01 0.00 0.00 64.21 62.74 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 5.16 -0.27-10.08 -3.43 3.38 -1.96 -3.38 115.31 104.73 2dnc h LEU 15 Ca 0.60 0.27 -0.53 0.00 0.09 0.00 0.00 57.88 58.31 2dnc h LEU 15 Cb 0.48 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dnc h LEU 15 CO 1.26 -0.34 -0.23 -0.55 0.09 0.00 0.00 178.44 178.67 2dnc s SER 16 N -4.93 6.42 0.43 -0.43 0.15 -1.26 -4.99 113.70 109.09 2dnc s SER 16 Ca -0.12 0.58 0.24 0.00 0.70 0.00 0.00 55.95 57.35 2dnc s SER 16 Cb 0.30 -2.09 0.70 0.00 -1.71 0.00 0.00 66.02 63.21 2dnc s SER 16 CO 0.78 -0.12 1.73 1.55 1.20 0.00 0.00 173.24 178.37 2dnc h PRO 17 N 1.85 0.00 -1.73 5.44 0.13 -2.02 -3.31 132.00 132.36 2dnc h PRO 17 Ca -0.48 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.18 2dnc h PRO 17 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2dnc h PRO 17 CO 0.67 0.18 -1.10 0.25 -0.23 0.00 0.00 178.00 177.77 2dnc n THR 18 N -3.23 0.73 -4.67 1.56 -2.24 -1.26 -5.09 114.28 100.09 2dnc n THR 18 Ca 0.02 -4.32 -0.34 0.00 -2.27 0.00 0.00 64.05 57.14 2dnc n THR 18 Cb 0.49 -0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.83 2.73 -0.01 -0.78 0.00 -1.25 -4.99 119.30 112.17 2dnc s MET 19 Ca 0.38 -0.57 0.08 0.00 0.00 0.00 0.00 55.69 55.58 2dnc s MET 19 Cb 0.37 -2.56 -0.13 0.00 0.00 0.00 0.00 34.83 32.51 2dnc s MET 19 CO -0.06 0.65 0.18 0.39 0.00 0.00 0.00 175.02 176.17 2dnc n GLU 20 N 2.27 0.37 -3.71 4.11 1.02 -1.26 -4.91 120.64 118.53 2dnc n GLU 20 Ca -0.18 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.82 2dnc n GLU 20 Cb 0.53 -1.20 0.03 0.00 -0.02 0.00 0.00 31.44 30.78 2dnc n GLU 20 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2dnc n GLU 21 N -1.81 0.97 -3.27 3.49 -0.00 -1.26 -0.16 120.64 118.60 2dnc n GLU 21 Ca -0.02 -1.96 -0.09 0.00 -0.00 0.00 0.00 57.16 55.09 2dnc n GLU 21 Cb 0.24 2.49 -0.00 0.00 -0.00 0.00 0.00 31.44 34.17 2dnc n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dnc n GLY 22 N -0.57 1.81 2.63 -1.84 0.00 -0.90 -4.87 105.19 101.45 2dnc n GLY 22 Ca -0.07 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.62 2.67 -0.56 1.61 0.01 -1.21 -0.73 114.94 114.10 2dnc s ASN 23 Ca 0.17 -0.78 -0.26 0.00 -0.71 0.00 0.00 52.86 51.29 2dnc s ASN 23 Cb -0.02 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 2dnc s ASN 23 CO 0.13 -0.36 2.11 -0.63 -1.51 0.00 0.00 177.10 176.84 2dnc s ILE 24 N 2.07 3.20 0.03 0.60 1.01 -1.24 -1.98 121.20 124.89 2dnc s ILE 24 Ca 0.03 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2dnc s ILE 24 Cb -0.16 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 38.67 2dnc s ILE 24 CO -0.13 -0.51 1.29 0.58 0.00 0.00 0.00 174.94 176.17 2dnc h VAL 25 N 7.25 0.00 -3.07 2.92 2.07 -0.98 -0.85 116.25 123.59 2dnc h VAL 25 Ca -0.25 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2dnc h VAL 25 Cb 1.21 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.79 2dnc h VAL 25 CO 1.19 0.00 -0.24 -0.75 0.02 0.00 0.00 177.57 177.79 2dnc s LYS 26 N -4.53 0.74 -0.23 1.57 2.20 -1.26 -2.87 119.74 115.37 2dnc s LYS 26 Ca -0.10 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.02 2dnc s LYS 26 Cb 0.01 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 2dnc s LYS 26 CO 0.31 -0.22 0.62 -1.58 -0.36 0.00 0.00 175.35 174.12 2dnc s TRP 27 N -1.76 3.32 -1.69 4.03 0.52 -1.26 -1.48 118.94 120.61 2dnc s TRP 27 Ca -0.10 0.86 0.31 0.00 0.02 0.00 0.00 56.10 57.18 2dnc s TRP 27 Cb -0.03 -2.81 1.68 0.00 -1.15 0.00 0.00 33.47 31.15 2dnc s TRP 27 CO 0.02 -0.25 2.12 1.28 0.02 0.00 0.00 176.95 180.14 2dnc n LEU 28 N 5.39 0.03 -4.29 2.99 4.77 0.50 -4.79 117.00 121.59 2dnc n LEU 28 Ca -0.01 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2dnc n LEU 28 Cb 0.49 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2dnc n LEU 28 CO 0.43 0.00 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.55 2dnc s LYS 29 N -2.32 1.18 0.36 3.23 -0.14 -0.91 -4.94 119.74 116.21 2dnc s LYS 29 Ca 0.37 -1.53 0.08 0.00 -1.36 0.00 0.00 55.97 53.53 2dnc s LYS 29 Cb 0.21 -0.75 -0.05 0.00 -1.68 0.00 0.00 37.83 35.56 2dnc s LYS 29 CO 0.42 0.07 0.08 0.15 -0.76 0.00 0.00 175.35 175.31 2dnc s LYS 30 N -3.74 2.17 -0.03 1.68 -0.14 -1.26 -5.05 119.74 113.36 2dnc s LYS 30 Ca 0.20 -1.75 -0.30 0.00 -1.36 0.00 0.00 55.97 52.76 2dnc s LYS 30 Cb 0.02 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 2dnc s LYS 30 CO 0.04 0.06 1.22 -1.21 -0.76 0.00 0.00 175.35 174.70 2dnc s GLU 31 N -3.79 4.36 0.00 1.68 2.02 -1.26 -2.74 118.70 118.97 2dnc s GLU 31 Ca 0.37 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.08 2dnc s GLU 31 Cb 0.01 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.72 2dnc s GLU 31 CO 0.21 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2dnc n GLY 32 N 3.37 2.85 3.45 -1.39 0.00 0.12 -5.00 105.19 108.59 2dnc n GLY 32 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.32 -1.57 0.42 1.61 2.02 -1.11 -4.48 118.70 115.28 2dnc s GLU 33 Ca 0.00 0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.46 2dnc s GLU 33 Cb 0.00 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 2dnc s GLU 33 CO 0.00 -4.05 0.63 0.00 0.02 0.00 0.00 175.26 171.86 2dnc s ALA 34 N -2.50 3.80 -0.02 5.21 0.00 -1.26 -0.49 121.76 126.49 2dnc s ALA 34 Ca 0.68 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 2dnc s ALA 34 Cb -0.19 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.85 2dnc s ALA 34 CO 0.61 -0.29 0.08 0.08 0.00 0.00 0.00 175.76 176.23 2dnc s VAL 35 N -2.48 0.01 -0.02 0.00 1.01 0.53 -4.76 120.40 114.68 2dnc s VAL 35 Ca 0.47 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2dnc s VAL 35 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 2dnc s VAL 35 CO 0.37 -0.06 -0.12 -0.44 0.00 0.00 0.00 175.10 174.85 2dnc s SER 36 N -0.16 1.53 0.18 3.32 0.01 -1.26 -0.29 113.70 117.03 2dnc s SER 36 Ca -0.02 -0.24 -0.33 0.00 1.31 0.00 0.00 55.95 56.67 2dnc s SER 36 Cb -0.02 -0.34 -0.13 0.00 0.21 0.00 0.00 66.02 65.74 2dnc s SER 36 CO 0.00 0.12 1.62 0.00 0.41 0.00 0.00 173.24 175.38 2dnc n ALA 37 N 3.09 1.86 -1.08 1.44 0.00 -1.22 -2.35 120.51 122.25 2dnc n ALA 37 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2dnc n ALA 37 Cb 0.54 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 3.49 1.12 3.04 0.00 0.00 -0.09 -4.92 105.19 107.83 2dnc n GLY 38 Ca 0.16 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.50 1.15 -0.11 1.61 1.11 -0.99 -4.87 116.67 112.06 2dnc s ASP 39 Ca 0.00 -0.22 -0.29 0.00 0.18 0.00 0.00 52.55 52.22 2dnc s ASP 39 Cb 0.00 -0.11 -0.05 0.00 1.07 0.00 0.00 42.92 43.83 2dnc s ASP 39 CO 0.00 0.09 1.69 0.00 1.18 0.00 0.00 175.17 178.13 2dnc s ALA 40 N -0.34 3.45 -0.19 5.23 0.00 -1.26 -0.81 121.76 127.84 2dnc s ALA 40 Ca 0.03 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 2dnc s ALA 40 Cb -0.04 -3.80 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 2dnc s ALA 40 CO -0.00 -1.67 0.03 1.28 0.00 0.00 0.00 175.76 175.40 2dnc n LEU 41 N 7.85 1.85 -3.86 0.00 4.77 0.28 -4.68 117.00 123.21 2dnc n LEU 41 Ca 0.19 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.55 2dnc n LEU 41 Cb 0.44 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2dnc n LEU 41 CO 0.64 0.05 0.05 0.00 -1.33 0.00 0.00 177.39 176.80 2dnc s GLU 43 N -3.91 3.60 0.05 0.00 2.02 -0.55 0.24 118.70 120.14 2dnc s GLU 43 Ca 0.12 -0.21 -0.13 0.00 0.02 0.00 0.00 54.97 54.77 2dnc s GLU 43 Cb 0.02 -3.81 -0.06 0.00 0.10 0.00 0.00 34.13 30.38 2dnc s GLU 43 CO -0.03 -0.63 0.43 0.42 0.02 0.00 0.00 175.26 175.47 2dnc s ILE 44 N 2.34 5.01 -0.15 -1.63 -1.09 0.64 -0.35 121.20 125.97 2dnc s ILE 44 Ca 0.18 0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 59.24 2dnc s ILE 44 Cb -0.16 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2dnc s ILE 44 CO 0.13 0.42 0.10 -0.70 -1.23 0.00 0.00 174.94 173.66 2dnc s GLU 45 N -1.51 3.72 -0.01 2.79 2.12 -0.84 -1.67 118.70 123.30 2dnc s GLU 45 Ca 0.29 -0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 2dnc s GLU 45 Cb -0.16 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.03 2dnc s GLU 45 CO 0.16 0.51 0.06 0.95 -0.54 0.00 0.00 175.26 176.40 2dnc s THR 46 N -0.28 0.05 0.39 -1.70 -4.23 -1.07 -3.31 115.64 105.49 2dnc s THR 46 Ca 0.10 -0.43 0.18 0.00 -1.18 0.00 0.00 61.69 60.36 2dnc s THR 46 Cb -0.12 -0.23 0.39 0.00 1.34 0.00 0.00 72.50 73.88 2dnc s THR 46 CO 0.01 -0.24 1.76 -0.78 -0.54 0.00 0.00 174.62 174.84 2dnc h ASP 47 N 5.21 0.46 0.13 3.99 3.58 -1.97 -1.66 116.42 126.15 2dnc h ASP 47 Ca -0.28 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2dnc h ASP 47 Cb 1.20 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2dnc h ASP 47 CO 0.43 0.08 -0.08 0.50 -2.88 0.00 0.00 179.24 177.29 2dnc h LYS 48 N 0.40 -0.18 0.00 0.28 3.11 -1.99 -3.49 116.57 114.70 2dnc h LYS 48 Ca 0.61 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.46 2dnc h LYS 48 Cb 1.52 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 2dnc h LYS 48 CO -0.32 -0.12 0.00 0.00 -2.81 0.00 0.00 179.45 176.20 2dnc n ALA 49 N -2.19 0.00 -2.59 5.00 0.00 -0.62 -5.11 120.51 114.99 2dnc n ALA 49 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2dnc n ALA 49 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.67 4.52 0.35 0.00 0.11 -1.26 -2.59 120.40 118.85 2dnc s VAL 50 Ca 0.00 1.04 0.08 0.00 -2.93 0.00 0.00 61.98 60.17 2dnc s VAL 50 Cb 0.00 -4.39 -0.04 0.00 -1.53 0.00 0.00 36.38 30.42 2dnc s VAL 50 CO 0.00 -0.67 0.14 0.68 -3.33 0.00 0.00 175.10 171.91 2dnc s VAL 51 N 3.64 2.92 0.07 2.04 -7.23 -0.67 -5.01 120.40 116.16 2dnc s VAL 51 Ca 0.38 -1.72 0.10 0.00 -1.81 0.00 0.00 61.98 58.93 2dnc s VAL 51 Cb -0.11 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 2dnc s VAL 51 CO 0.22 -0.17 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.69 2dnc s THR 52 N -2.45 2.12 -0.43 5.32 2.01 -1.26 -0.26 115.64 120.69 2dnc s THR 52 Ca 0.38 -1.50 -0.19 0.00 0.31 0.00 0.00 61.69 60.69 2dnc s THR 52 Cb -0.02 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2dnc s THR 52 CO 0.22 0.25 0.55 -0.22 -0.69 0.00 0.00 174.62 174.73 2dnc s LEU 53 N -1.52 4.66 0.27 4.42 0.20 0.14 -4.81 118.68 122.03 2dnc s LEU 53 Ca 0.12 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 54.35 2dnc s LEU 53 Cb -0.10 -2.58 -0.07 0.00 -0.43 0.00 0.00 46.19 43.01 2dnc s LEU 53 CO 0.03 -0.69 0.60 1.51 -0.29 0.00 0.00 176.35 177.52 2dnc s ASP 54 N 1.91 6.63 0.43 3.68 -4.77 -1.26 0.10 116.67 123.40 2dnc s ASP 54 Ca 0.18 0.99 -0.22 0.00 -3.30 0.00 0.00 52.55 50.19 2dnc s ASP 54 Cb -0.15 -2.26 -0.09 0.00 -1.09 0.00 0.00 42.92 39.33 2dnc s ASP 54 CO 0.17 -0.14 1.04 0.00 0.70 0.00 0.00 175.17 176.94 2dnc s ALA 55 N -1.92 3.00 -0.58 2.11 0.00 0.01 -4.85 121.76 119.54 2dnc s ALA 55 Ca 0.49 0.65 0.16 0.00 0.00 0.00 0.00 51.96 53.26 2dnc s ALA 55 Cb -0.11 -3.26 -0.20 0.00 0.00 0.00 0.00 23.12 19.55 2dnc s ALA 55 CO 0.22 -0.23 0.61 0.45 0.00 0.00 0.00 175.76 176.81 2dnc n SER 56 N -0.43 0.87 -3.63 0.00 2.88 -1.26 -0.92 113.62 111.13 2dnc n SER 56 Ca 0.07 -0.66 -0.10 0.00 -1.33 0.00 0.00 58.87 56.85 2dnc n SER 56 Cb 0.51 1.20 -0.04 0.00 -0.75 0.00 0.00 64.21 65.13 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 -2.92 -0.25 -0.13 -3.46 1.01 -1.26 -4.81 116.67 104.86 2dnc s ASP 57 Ca 0.03 -0.31 -0.15 0.00 0.71 0.00 0.00 52.55 52.83 2dnc s ASP 57 Cb 0.12 0.48 -0.05 0.00 1.01 0.00 0.00 42.92 44.48 2dnc s ASP 57 CO 0.68 -0.86 0.36 1.51 0.21 0.00 0.00 175.17 177.08 2dnc s ASP 58 N -2.80 6.55 0.00 0.27 -4.77 -1.26 -3.45 116.67 111.21 2dnc s ASP 58 Ca 0.03 0.64 0.00 0.00 -3.30 0.00 0.00 52.55 49.92 2dnc s ASP 58 Cb 0.02 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.63 2dnc s ASP 58 CO -0.12 0.09 0.00 0.61 0.70 0.00 0.00 175.17 176.45 2dnc n GLY 59 N 3.21 1.15 3.62 2.12 0.00 0.60 -4.66 105.19 111.22 2dnc n GLY 59 Ca -0.10 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.40 4.07 -0.94 -0.61 -1.09 -0.34 0.20 121.20 120.10 2dnc s ILE 60 Ca 0.00 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 57.84 2dnc s ILE 60 Cb 0.00 -2.71 -0.07 0.00 -1.58 0.00 0.00 42.46 38.10 2dnc s ILE 60 CO 0.00 0.58 2.00 -0.22 -1.23 0.00 0.00 174.94 176.08 2dnc s LEU 61 N -0.63 3.09 0.01 2.97 0.20 0.35 -1.13 118.68 123.54 2dnc s LEU 61 Ca 0.10 -0.75 -0.02 0.00 0.69 0.00 0.00 54.13 54.14 2dnc s LEU 61 Cb -0.12 -2.56 -0.01 0.00 -0.43 0.00 0.00 46.19 43.07 2dnc s LEU 61 CO 0.02 -2.99 1.04 0.00 -0.29 0.00 0.00 176.35 174.13 2dnc h ALA 62 N 11.22 -0.63 -2.53 5.97 0.00 -1.64 0.35 119.26 132.00 2dnc h ALA 62 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2dnc h ALA 62 Cb 0.99 0.44 -0.22 0.00 0.00 0.00 0.00 17.79 19.00 2dnc h ALA 62 CO 1.18 -0.64 -0.16 0.21 0.00 0.00 0.00 179.25 179.85 2dnc s LYS 63 N -3.20 0.62 -1.10 0.00 2.36 -1.22 -4.39 119.74 112.82 2dnc s LYS 63 Ca -0.01 0.44 -0.14 0.00 -2.55 0.00 0.00 55.97 53.71 2dnc s LYS 63 Cb 0.00 0.29 0.19 0.00 -1.05 0.00 0.00 37.83 37.27 2dnc s LYS 63 CO 0.04 -0.11 1.25 0.42 1.55 0.00 0.00 175.35 178.50 2dnc s ILE 64 N -0.20 5.22 0.16 5.43 1.01 -1.26 -2.05 121.20 129.51 2dnc s ILE 64 Ca -0.04 -2.58 -0.31 0.00 0.00 0.00 0.00 60.65 57.72 2dnc s ILE 64 Cb -0.03 -4.79 -0.07 0.00 0.01 0.00 0.00 42.46 37.58 2dnc s ILE 64 CO 0.02 -1.46 1.54 0.52 0.00 0.00 0.00 174.94 175.56 2dnc n VAL 65 N 4.34 -0.68 -3.49 2.92 0.31 0.18 -3.57 118.33 118.34 2dnc n VAL 65 Ca 0.30 2.41 -0.42 0.00 -0.01 0.00 0.00 64.34 66.62 2dnc n VAL 65 Cb 0.44 -2.98 -0.10 0.00 -0.91 0.00 0.00 33.84 30.28 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 -5.51 5.07 0.75 2.52 1.01 0.46 -4.97 120.40 119.74 2dnc s VAL 66 Ca -0.12 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2dnc s VAL 66 Cb 0.11 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2dnc s VAL 66 CO 0.62 -0.31 1.12 -1.61 0.00 0.00 0.00 175.10 174.92 2dnc s GLU 67 N 1.64 2.46 1.31 2.72 8.01 -1.23 -4.82 118.70 128.79 2dnc s GLU 67 Ca 0.04 0.36 -0.17 0.00 0.01 0.00 0.00 54.97 55.21 2dnc s GLU 67 Cb -0.19 -1.98 0.34 0.00 -4.31 0.00 0.00 34.13 27.98 2dnc s GLU 67 CO 0.09 -1.30 0.96 -1.83 0.01 0.00 0.00 175.26 173.20 2dnc s GLU 68 N -5.41 -2.08 0.00 1.61 -1.05 -1.26 -3.41 118.70 107.09 2dnc s GLU 68 Ca 0.60 0.55 0.00 0.00 -0.15 0.00 0.00 54.97 55.97 2dnc s GLU 68 Cb -0.11 -1.44 0.00 0.00 -0.44 0.00 0.00 34.13 32.14 2dnc s GLU 68 CO 0.51 -4.42 0.00 0.41 0.95 0.00 0.00 175.26 172.71 2dnc n GLY 69 N 1.35 0.66 3.90 -3.83 0.00 -0.33 -4.99 105.19 101.95 2dnc n GLY 69 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2dnc n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnc s SER 70 N -2.60 4.13 -0.18 1.61 1.04 -1.22 -4.99 113.70 111.49 2dnc s SER 70 Ca 0.00 0.69 -0.28 0.00 0.48 0.00 0.00 55.95 56.84 2dnc s SER 70 Cb 0.00 -1.10 0.10 0.00 0.10 0.00 0.00 66.02 65.12 2dnc s SER 70 CO 0.00 -2.14 0.84 -1.59 0.98 0.00 0.00 173.24 171.34 2dnc s LYS 71 N -5.62 0.77 0.00 4.02 0.00 -1.26 -3.58 119.74 114.07 2dnc s LYS 71 Ca 0.65 0.47 0.00 0.00 0.00 0.00 0.00 55.97 57.09 2dnc s LYS 71 Cb -0.10 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.10 2dnc s LYS 71 CO 0.50 -0.18 0.00 -1.71 0.00 0.00 0.00 175.35 173.96 2dnc n ASN 72 N 1.55 -1.97 -4.45 0.03 2.85 -0.86 -4.98 115.26 107.42 2dnc n ASN 72 Ca -0.14 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 53.89 2dnc n ASN 72 Cb 0.57 -0.49 -0.02 0.00 1.24 0.00 0.00 39.78 41.07 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 -2.97 4.73 1.00 -1.44 -1.09 0.09 -4.86 121.20 116.66 2dnc s ILE 73 Ca 0.00 -1.60 -0.20 0.00 -2.23 0.00 0.00 60.65 56.62 2dnc s ILE 73 Cb 0.00 -4.78 -0.13 0.00 -1.58 0.00 0.00 42.46 35.96 2dnc s ILE 73 CO 0.00 -1.51 -0.87 -2.11 -1.23 0.00 0.00 174.94 169.21 2dnc n ARG 74 N 6.54 -0.13 -1.83 2.79 1.85 -1.26 -2.11 116.66 122.52 2dnc n ARG 74 Ca 0.24 -0.03 -0.34 0.00 -1.00 0.00 0.00 57.85 56.72 2dnc n ARG 74 Cb 0.49 -1.13 0.04 0.00 -1.05 0.00 0.00 32.46 30.82 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 6.54 3.46 -1.26 2.89 1.43 0.78 -3.60 118.68 128.92 2dnc s LEU 75 Ca 0.41 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 2dnc s LEU 75 Cb -0.09 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2dnc s LEU 75 CO 0.75 -1.62 0.60 0.61 0.23 0.00 0.00 176.35 176.92 2dnc n GLY 76 N -0.25 -0.69 3.51 -3.19 0.00 -1.11 -4.89 105.19 98.58 2dnc n GLY 76 Ca 0.11 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.78 4.09 -0.42 1.61 0.15 -1.24 -4.70 113.70 109.41 2dnc s SER 77 Ca 0.33 -0.40 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 2dnc s SER 77 Cb -0.14 -0.72 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 2dnc s SER 77 CO 0.91 0.22 1.08 -0.76 1.20 0.00 0.00 173.24 175.90 2dnc s LEU 78 N -1.77 3.79 -0.15 3.45 1.43 -1.26 -0.80 118.68 123.36 2dnc s LEU 78 Ca 0.17 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 54.02 2dnc s LEU 78 Cb -0.11 -3.49 -0.17 0.00 0.03 0.00 0.00 46.19 42.45 2dnc s LEU 78 CO 0.09 -1.08 0.00 2.30 0.23 0.00 0.00 176.35 177.89 2dnc n ILE 79 N 6.42 1.01 -3.52 -0.59 -5.35 -1.07 -4.35 119.36 111.91 2dnc n ILE 79 Ca 0.11 -0.57 -0.12 0.00 -0.27 0.00 0.00 62.75 61.90 2dnc n ILE 79 Cb 0.48 -0.73 -0.04 0.00 -1.74 0.00 0.00 39.64 37.61 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 -5.01 -0.47 0.13 3.28 0.00 -1.25 0.17 107.32 104.17 2dnc s GLY 80 Ca -0.11 1.31 0.11 0.00 0.00 0.00 0.00 44.72 46.02 2dnc s GLY 80 CO 0.56 0.68 -0.25 -2.27 0.00 0.00 0.00 173.10 171.82 2dnc s LEU 81 N -1.76 2.40 0.13 0.66 0.20 -0.87 -0.90 118.68 118.52 2dnc s LEU 81 Ca -0.02 -0.71 0.09 0.00 0.69 0.00 0.00 54.13 54.18 2dnc s LEU 81 Cb -0.01 -1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 44.43 2dnc s LEU 81 CO -0.01 0.18 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.42 2dnc s ILE 82 N -1.08 2.86 -0.07 6.68 1.01 0.54 -1.67 121.20 129.47 2dnc s ILE 82 Ca 0.15 -1.54 0.03 0.00 0.00 0.00 0.00 60.65 59.28 2dnc s ILE 82 Cb -0.10 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2dnc s ILE 82 CO 0.07 0.07 -0.14 0.68 0.00 0.00 0.00 174.94 175.61 2dnc s VAL 83 N -1.23 1.28 -0.13 2.92 -7.23 -0.28 0.38 120.40 116.11 2dnc s VAL 83 Ca 0.19 -0.57 -0.40 0.00 -1.81 0.00 0.00 61.98 59.39 2dnc s VAL 83 Cb -0.10 -1.15 -0.19 0.00 0.56 0.00 0.00 36.38 35.49 2dnc s VAL 83 CO 0.11 0.39 1.16 -0.62 -0.31 0.00 0.00 175.10 175.82 2dnc n GLU 84 N 3.73 0.00 -1.41 4.82 1.02 -1.26 -1.19 120.64 126.35 2dnc n GLU 84 Ca -0.22 0.00 -0.53 0.00 -0.02 0.00 0.00 57.16 56.39 2dnc n GLU 84 Cb 0.52 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 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 2.09 0.00 0.00 3.49 1.02 -1.26 -1.18 120.64 124.80 2dnc n GLU 85 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2dnc n GLU 85 Cb 0.04 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.63 2.73 3.04 0.62 0.00 -1.26 -5.00 105.19 106.95 2dnc n GLY 86 Ca 0.19 -0.65 -0.53 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 -1.50 1.61 0.00 -0.32 -4.51 120.64 115.91 2dnc n GLU 87 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2dnc n GLU 87 Cb 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 31.44 29.90 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dnc n ASP 88 N 7.32 0.15 0.09 4.31 8.00 -1.26 -4.73 116.55 130.42 2dnc n ASP 88 Ca 0.52 0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.94 2dnc n ASP 88 Cb -0.03 -0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 40.09 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2dnc h TRP 89 N 12.17 -0.19 -2.77 1.24 5.08 -1.95 -3.44 115.95 126.09 2dnc h TRP 89 Ca -0.05 -0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.42 2dnc h TRP 89 Cb 1.28 0.06 0.23 0.00 -3.00 0.00 0.00 29.16 27.73 2dnc h TRP 89 CO 1.12 0.11 -0.97 1.17 -1.28 0.00 0.00 178.44 178.60 2dnc n LYS 90 N -5.05 -0.78 -1.50 0.12 4.81 -1.26 -4.72 118.16 109.78 2dnc n LYS 90 Ca -0.09 -0.20 -0.56 0.00 -0.87 0.00 0.00 58.31 56.60 2dnc n LYS 90 Cb 0.21 -1.70 -0.07 0.00 0.02 0.00 0.00 35.03 33.50 2dnc n LYS 90 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2dnc n HIS 91 N -3.85 0.61 -3.49 5.64 1.44 -1.26 -4.91 115.22 109.40 2dnc n HIS 91 Ca 0.03 0.97 -0.31 0.00 -2.01 0.00 0.00 57.72 56.40 2dnc n HIS 91 Cb 0.58 -2.11 -0.05 0.00 0.12 0.00 0.00 29.99 28.53 2dnc n HIS 91 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2dnc s VAL 92 N -0.13 5.02 -0.24 0.61 0.11 -1.26 -4.66 120.40 119.84 2dnc s VAL 92 Ca 0.84 0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 2dnc s VAL 92 Cb -1.15 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.08 2dnc s VAL 92 CO 0.55 -0.07 0.09 -0.24 -3.33 0.00 0.00 175.10 172.10 2dnc n SER 93 N -0.17 -7.51 0.00 3.54 2.88 -1.26 -5.03 113.62 106.07 2dnc n SER 93 Ca -0.01 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2dnc n SER 93 Cb 0.52 -4.12 0.00 0.00 -0.75 0.00 0.00 64.21 59.86 2dnc n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnc n GLY 94 N 0.74 2.25 3.57 0.46 0.00 -1.26 -5.07 105.19 105.87 2dnc n GLY 94 Ca 0.01 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 1.04 3.13 -0.12 1.61 0.04 -1.26 -4.88 135.00 134.56 2dnc s PRO 95 Ca 0.00 -1.00 -0.16 0.00 0.04 0.00 0.00 61.00 59.88 2dnc s PRO 95 Cb 0.00 -5.27 0.04 0.00 0.04 0.00 0.00 34.50 29.31 2dnc s PRO 95 CO 0.00 -2.90 0.41 -1.12 0.04 0.00 0.00 177.00 173.43 2dnc s SER 96 N 6.11 -0.40 0.06 6.66 0.01 -1.26 -5.17 113.70 119.71 2dnc s SER 96 Ca 0.59 0.69 -0.28 0.00 1.31 0.00 0.00 55.95 58.27 2dnc s SER 96 Cb -0.02 0.74 0.09 0.00 0.21 0.00 0.00 66.02 67.04 2dnc s SER 96 CO -0.00 -0.23 1.09 -0.44 0.41 0.00 0.00 173.24 174.07 2dnc s SER 97 N -0.16 -0.14 0.00 2.44 0.01 -1.26 -5.14 113.70 109.44 2dnc s SER 97 Ca -0.03 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2dnc s SER 97 Cb -0.03 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2dnc s SER 97 CO 0.02 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.65