#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 5.97 -3.46 1.61 3.41 -1.26 -4.86 113.62 115.03 2dnc n SER 2 Ca 0.00 -3.30 0.01 0.00 -0.26 0.00 0.00 58.87 55.32 2dnc n SER 2 Cb 0.00 -1.27 -0.05 0.00 -0.26 0.00 0.00 64.21 62.64 2dnc n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dnc s SER 3 N -0.87 -0.49 -0.68 4.04 1.04 -1.26 -5.03 113.70 110.46 2dnc s SER 3 Ca 0.31 0.70 -0.15 0.00 0.48 0.00 0.00 55.95 57.30 2dnc s SER 3 Cb 0.01 1.46 0.02 0.00 0.10 0.00 0.00 66.02 67.61 2dnc s SER 3 CO 0.04 -0.10 0.63 0.61 0.98 0.00 0.00 173.24 175.40 2dnc n GLY 4 N 4.52 -0.78 3.21 7.32 0.00 -1.26 -4.90 105.19 113.29 2dnc n GLY 4 Ca -0.12 0.82 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 2dnc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 5 N -2.44 5.72 -0.46 1.61 0.01 -1.26 -5.03 113.70 111.86 2dnc s SER 5 Ca 0.15 -1.95 -0.09 0.00 1.31 0.00 0.00 55.95 55.36 2dnc s SER 5 Cb -0.02 -2.02 0.11 0.00 0.21 0.00 0.00 66.02 64.30 2dnc s SER 5 CO 0.88 -0.69 0.32 -0.44 0.41 0.00 0.00 173.24 173.72 2dnc s SER 6 N 2.64 5.70 0.00 2.44 0.01 -1.26 -4.98 113.70 118.25 2dnc s SER 6 Ca 0.06 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.56 2dnc s SER 6 Cb -0.26 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2dnc s SER 6 CO -0.01 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2dnc n GLY 7 N 4.93 0.29 3.27 3.44 0.00 -1.26 -5.01 105.19 110.85 2dnc n GLY 7 Ca -0.09 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.82 4.27 -0.25 -0.61 1.01 0.07 -4.93 121.20 118.93 2dnc s ILE 8 Ca 0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 2dnc s ILE 8 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2dnc s ILE 8 CO 0.00 -0.53 1.10 -1.59 0.00 0.00 0.00 174.94 173.92 2dnc s LYS 9 N 1.43 4.18 -0.28 2.79 -2.85 -1.26 -0.87 119.74 122.87 2dnc s LYS 9 Ca 0.03 1.32 -0.20 0.00 -1.00 0.00 0.00 55.97 56.11 2dnc s LYS 9 Cb -0.23 -3.70 -0.01 0.00 -2.06 0.00 0.00 37.83 31.82 2dnc s LYS 9 CO 0.02 -0.75 0.64 0.42 0.10 0.00 0.00 175.35 175.78 2dnc s ILE 10 N 3.44 4.95 -0.08 3.79 1.01 -0.08 -5.02 121.20 129.22 2dnc s ILE 10 Ca 0.47 1.00 0.01 0.00 0.00 0.00 0.00 60.65 62.13 2dnc s ILE 10 Cb -0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2dnc s ILE 10 CO 0.11 -0.07 -0.08 -0.76 0.00 0.00 0.00 174.94 174.14 2dnc s LEU 11 N 2.58 3.06 -0.37 2.97 1.43 -1.26 -2.00 118.68 125.09 2dnc s LEU 11 Ca 0.26 -0.09 -0.37 0.00 -1.03 0.00 0.00 54.13 52.90 2dnc s LEU 11 Cb -0.15 -1.67 -0.13 0.00 0.03 0.00 0.00 46.19 44.27 2dnc s LEU 11 CO 0.10 0.33 2.13 0.80 0.23 0.00 0.00 176.35 179.94 2dnc n MET 12 N 2.46 0.90 -2.48 1.70 0.00 -1.15 -4.81 117.12 113.74 2dnc n MET 12 Ca -0.18 0.26 -0.34 0.00 -0.00 0.00 0.00 57.70 57.44 2dnc n MET 12 Cb 0.53 -2.25 -0.03 0.00 0.00 0.00 0.00 33.22 31.47 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 5.87 3.75 -1.19 2.12 0.04 -1.26 -3.45 135.00 140.88 2dnc s PRO 13 Ca 1.10 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 63.39 2dnc s PRO 13 Cb -1.00 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 31.31 2dnc s PRO 13 CO 0.54 -0.47 3.15 0.43 0.04 0.00 0.00 177.00 180.69 2dnc n SER 14 N -1.11 7.82 -0.38 6.66 7.64 -1.26 -4.69 113.62 128.30 2dnc n SER 14 Ca 0.09 -2.55 -0.04 0.00 1.01 0.00 0.00 58.87 57.39 2dnc n SER 14 Cb 0.53 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 6.45 -1.62-10.32 -3.43 3.38 -1.94 -3.39 115.31 104.44 2dnc h LEU 15 Ca 0.69 0.31 -0.51 0.00 0.09 0.00 0.00 57.88 58.47 2dnc h LEU 15 Cb 0.62 0.80 0.07 0.00 0.09 0.00 0.00 40.66 42.24 2dnc h LEU 15 CO 1.36 -0.28 0.39 -0.55 0.09 0.00 0.00 178.44 179.45 2dnc s SER 16 N -5.38 5.79 0.19 -0.43 0.15 -1.26 -4.97 113.70 107.78 2dnc s SER 16 Ca -0.13 1.57 0.04 0.00 0.70 0.00 0.00 55.95 58.13 2dnc s SER 16 Cb 0.18 -2.49 0.08 0.00 -1.71 0.00 0.00 66.02 62.07 2dnc s SER 16 CO 0.69 -1.17 1.44 1.55 1.20 0.00 0.00 173.24 176.95 2dnc h PRO 17 N -0.34 0.17 -1.58 5.44 0.13 -2.02 -3.34 132.00 130.45 2dnc h PRO 17 Ca -0.44 -0.16 -0.46 0.00 -0.87 0.00 0.00 66.00 64.06 2dnc h PRO 17 Cb 1.20 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 2dnc h PRO 17 CO 0.59 0.87 -1.06 0.25 -0.23 0.00 0.00 178.00 178.42 2dnc n THR 18 N -3.70 1.06 -3.75 1.56 -2.24 -1.26 -5.07 114.28 100.88 2dnc n THR 18 Ca -0.03 -4.18 -0.37 0.00 -2.27 0.00 0.00 64.05 57.21 2dnc n THR 18 Cb 0.75 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.99 3.82 0.13 -0.78 0.00 -1.26 -4.96 119.30 113.27 2dnc s MET 19 Ca 0.37 -0.40 0.11 0.00 0.00 0.00 0.00 55.69 55.78 2dnc s MET 19 Cb 0.39 -3.41 -0.12 0.00 0.00 0.00 0.00 34.83 31.68 2dnc s MET 19 CO -0.06 -0.09 1.17 1.49 0.00 0.00 0.00 175.02 177.53 2dnc h GLU 20 N 7.97 0.00 -2.65 4.11 4.81 -1.97 -3.47 114.58 123.38 2dnc h GLU 20 Ca -0.37 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.97 2dnc h GLU 20 Cb 1.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2dnc h GLU 20 CO 0.59 0.68 0.45 -1.83 -0.73 0.00 0.00 179.01 178.17 2dnc s GLU 21 N -2.79 1.58 0.24 1.92 -1.05 -1.26 -3.38 118.70 113.95 2dnc s GLU 21 Ca 0.00 -0.97 -0.03 0.00 -0.15 0.00 0.00 54.97 53.83 2dnc s GLU 21 Cb 0.09 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.22 2dnc s GLU 21 CO 0.80 -0.73 0.25 0.20 0.95 0.00 0.00 175.26 176.72 2dnc s GLY 22 N -3.16 1.37 -0.14 -3.83 0.00 -0.25 -4.85 107.32 96.45 2dnc s GLY 22 Ca 0.17 -1.56 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 2dnc s GLY 22 CO 0.06 -1.22 -0.06 -1.31 0.00 0.00 0.00 173.10 170.57 2dnc s ASN 23 N -3.16 2.56 -0.55 1.64 0.01 -1.22 0.14 114.94 114.35 2dnc s ASN 23 Ca 0.35 -0.51 -0.27 0.00 -0.71 0.00 0.00 52.86 51.71 2dnc s ASN 23 Cb 0.04 -0.88 -0.00 0.00 0.41 0.00 0.00 41.25 40.82 2dnc s ASN 23 CO 0.14 -0.16 1.63 -0.63 -1.51 0.00 0.00 177.10 176.58 2dnc s ILE 24 N 1.66 3.57 0.03 0.60 1.01 -1.21 -1.22 121.20 125.65 2dnc s ILE 24 Ca 0.03 0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 2dnc s ILE 24 Cb -0.14 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 2dnc s ILE 24 CO -0.08 -0.99 1.21 0.58 0.00 0.00 0.00 174.94 175.66 2dnc h VAL 25 N 6.61 0.00 -2.92 2.92 2.07 -1.15 -2.14 116.25 121.64 2dnc h VAL 25 Ca -0.28 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2dnc h VAL 25 Cb 1.13 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.71 2dnc h VAL 25 CO 1.17 0.00 -0.16 -0.75 0.02 0.00 0.00 177.57 177.85 2dnc s LYS 26 N -4.40 0.81 -0.24 1.57 2.20 -1.26 -3.23 119.74 115.19 2dnc s LYS 26 Ca -0.10 -0.21 -0.22 0.00 -0.36 0.00 0.00 55.97 55.07 2dnc s LYS 26 Cb 0.01 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2dnc s LYS 26 CO 0.31 -0.25 0.70 -1.58 -0.36 0.00 0.00 175.35 174.18 2dnc s TRP 27 N -1.76 3.31 -1.06 4.03 0.52 -1.26 -1.98 118.94 120.75 2dnc s TRP 27 Ca -0.10 0.96 0.24 0.00 0.02 0.00 0.00 56.10 57.22 2dnc s TRP 27 Cb -0.03 -2.91 1.04 0.00 -1.15 0.00 0.00 33.47 30.42 2dnc s TRP 27 CO 0.02 -0.32 1.76 1.28 0.02 0.00 0.00 176.95 179.71 2dnc n LEU 28 N 5.69 0.00 -4.34 2.99 4.77 0.48 -4.75 117.00 121.84 2dnc n LEU 28 Ca 0.02 0.47 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 2dnc n LEU 28 Cb 0.49 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2dnc n LEU 28 CO 0.45 -0.09 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.42 2dnc s LYS 29 N -2.94 1.31 0.26 3.23 1.02 -0.91 -4.95 119.74 116.75 2dnc s LYS 29 Ca 0.13 -1.50 0.09 0.00 0.02 0.00 0.00 55.97 54.70 2dnc s LYS 29 Cb 0.16 -1.23 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 2dnc s LYS 29 CO 0.42 0.23 0.04 0.15 -0.92 0.00 0.00 175.35 175.27 2dnc s LYS 30 N -3.23 2.42 -0.10 1.68 1.02 -1.26 -5.05 119.74 115.22 2dnc s LYS 30 Ca 0.19 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.54 2dnc s LYS 30 Cb -0.03 -2.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.98 2dnc s LYS 30 CO 0.07 0.37 1.81 -1.21 -0.92 0.00 0.00 175.35 175.46 2dnc s GLU 31 N -3.71 3.92 0.00 1.68 2.02 -1.26 -1.60 118.70 119.76 2dnc s GLU 31 Ca 0.32 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.45 2dnc s GLU 31 Cb -0.07 -4.10 0.00 0.00 0.10 0.00 0.00 34.13 30.06 2dnc s GLU 31 CO 0.21 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.73 2dnc n GLY 32 N 4.61 1.54 3.62 -1.39 0.00 0.11 -5.02 105.19 108.66 2dnc n GLY 32 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2dnc n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dnc n GLU 33 N -0.09 -0.86 -2.28 1.61 1.02 -0.63 -4.36 120.64 115.05 2dnc n GLU 33 Ca 0.00 -0.19 -0.26 0.00 -0.02 0.00 0.00 57.16 56.69 2dnc n GLU 33 Cb 0.00 -2.32 0.05 0.00 -0.02 0.00 0.00 31.44 29.15 2dnc n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dnc s ALA 34 N -2.59 3.25 -0.02 0.62 0.00 -1.26 0.42 121.76 122.18 2dnc s ALA 34 Ca 0.67 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2dnc s ALA 34 Cb -0.23 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2dnc s ALA 34 CO 0.60 -1.11 0.06 0.08 0.00 0.00 0.00 175.76 175.39 2dnc s VAL 35 N -3.14 0.01 -0.09 0.00 1.01 0.51 -4.72 120.40 113.98 2dnc s VAL 35 Ca 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2dnc s VAL 35 Cb -0.11 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2dnc s VAL 35 CO 0.44 -0.07 -0.08 -0.44 0.00 0.00 0.00 175.10 174.95 2dnc s SER 36 N -0.18 1.97 0.10 3.32 0.01 -1.26 -1.57 113.70 116.09 2dnc s SER 36 Ca -0.02 -0.28 -0.33 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 36 Cb -0.02 -0.80 -0.18 0.00 0.21 0.00 0.00 66.02 65.24 2dnc s SER 36 CO 0.00 -0.08 0.76 0.00 0.41 0.00 0.00 173.24 174.34 2dnc n ALA 37 N 4.58 -3.19 -2.20 1.44 0.00 -1.23 -1.21 120.51 118.71 2dnc n ALA 37 Ca -0.16 0.50 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 2dnc n ALA 37 Cb 0.51 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.71 0.36 3.28 0.00 0.00 -0.99 -4.94 105.19 104.61 2dnc n GLY 38 Ca 0.18 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.91 2.73 -0.03 1.61 1.11 -0.35 -4.87 116.67 113.97 2dnc s ASP 39 Ca 0.02 -0.49 -0.30 0.00 0.18 0.00 0.00 52.55 51.96 2dnc s ASP 39 Cb -0.01 -0.27 -0.06 0.00 1.07 0.00 0.00 42.92 43.66 2dnc s ASP 39 CO 0.02 0.24 1.62 0.00 1.18 0.00 0.00 175.17 178.23 2dnc s ALA 40 N -0.68 3.63 -0.21 5.23 0.00 -1.26 -1.01 121.76 127.46 2dnc s ALA 40 Ca 0.09 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 2dnc s ALA 40 Cb -0.09 -3.72 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 2dnc s ALA 40 CO 0.01 -1.30 -0.26 1.28 0.00 0.00 0.00 175.76 175.48 2dnc n LEU 41 N 6.70 1.92 -4.01 0.00 4.77 0.26 -4.66 117.00 121.97 2dnc n LEU 41 Ca 0.17 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.44 2dnc n LEU 41 Cb 0.42 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 2dnc n LEU 41 CO 0.62 0.01 0.17 0.00 -1.33 0.00 0.00 177.39 176.85 2dnc s GLU 43 N -3.91 3.71 -0.09 0.00 2.02 -0.84 0.15 118.70 119.76 2dnc s GLU 43 Ca 0.24 -0.49 -0.12 0.00 0.02 0.00 0.00 54.97 54.62 2dnc s GLU 43 Cb -0.00 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 2dnc s GLU 43 CO 0.10 -0.30 0.28 0.42 0.02 0.00 0.00 175.26 175.78 2dnc s ILE 44 N 1.73 5.27 -0.10 -1.63 -1.09 -0.10 -0.62 121.20 124.65 2dnc s ILE 44 Ca 0.06 0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 58.84 2dnc s ILE 44 Cb -0.17 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2dnc s ILE 44 CO 0.10 0.54 0.45 -1.61 -1.23 0.00 0.00 174.94 173.20 2dnc s GLU 45 N -0.64 4.27 0.06 2.79 2.02 -0.35 -2.50 118.70 124.35 2dnc s GLU 45 Ca 0.18 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2dnc s GLU 45 Cb -0.14 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 2dnc s GLU 45 CO 0.07 0.25 -0.04 0.95 0.02 0.00 0.00 175.26 176.51 2dnc s THR 46 N 0.32 0.40 0.29 3.63 -4.23 -1.17 -3.44 115.64 111.44 2dnc s THR 46 Ca 0.25 -1.77 0.24 0.00 -1.18 0.00 0.00 61.69 59.23 2dnc s THR 46 Cb -0.15 -1.46 0.23 0.00 1.34 0.00 0.00 72.50 72.46 2dnc s THR 46 CO 0.10 -0.90 1.93 0.44 -0.54 0.00 0.00 174.62 175.65 2dnc h ASP 47 N 3.24 0.00 0.44 3.99 5.19 -1.97 -3.04 116.42 124.27 2dnc h ASP 47 Ca -0.34 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 2dnc h ASP 47 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2dnc h ASP 47 CO 0.63 0.21 -0.21 0.11 -3.12 0.00 0.00 179.24 176.86 2dnc h LYS 48 N 0.00 -0.56 0.00 3.56 1.79 -2.00 -3.49 116.57 115.87 2dnc h LYS 48 Ca -0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2dnc h LYS 48 Cb 0.57 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2dnc h LYS 48 CO 0.03 -0.26 0.00 0.00 -1.08 0.00 0.00 179.45 178.14 2dnc n ALA 49 N -2.58 0.00 -2.59 3.86 0.00 -1.15 -5.10 120.51 112.95 2dnc n ALA 49 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 2dnc n ALA 49 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.01 4.25 0.36 0.00 0.11 -1.26 -3.06 120.40 118.79 2dnc s VAL 50 Ca 0.00 0.89 0.08 0.00 -2.93 0.00 0.00 61.98 60.02 2dnc s VAL 50 Cb 0.00 -4.59 -0.05 0.00 -1.53 0.00 0.00 36.38 30.22 2dnc s VAL 50 CO 0.00 -1.07 0.15 0.68 -3.33 0.00 0.00 175.10 171.53 2dnc s VAL 51 N 4.34 2.76 0.06 2.04 -7.23 -1.04 -5.03 120.40 116.29 2dnc s VAL 51 Ca 0.41 -1.71 0.09 0.00 -1.81 0.00 0.00 61.98 58.96 2dnc s VAL 51 Cb -0.09 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2dnc s VAL 51 CO 0.27 -0.12 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.81 2dnc s THR 52 N -2.49 1.95 -0.26 5.32 2.01 -1.26 -0.93 115.64 119.98 2dnc s THR 52 Ca 0.39 -1.38 -0.22 0.00 0.31 0.00 0.00 61.69 60.80 2dnc s THR 52 Cb -0.01 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 2dnc s THR 52 CO 0.22 0.24 0.69 -0.22 -0.69 0.00 0.00 174.62 174.87 2dnc s LEU 53 N -1.36 4.08 0.14 4.42 0.20 0.40 -4.80 118.68 121.76 2dnc s LEU 53 Ca 0.10 0.74 -0.02 0.00 0.69 0.00 0.00 54.13 55.65 2dnc s LEU 53 Cb -0.10 -2.95 -0.05 0.00 -0.43 0.00 0.00 46.19 42.67 2dnc s LEU 53 CO 0.03 -0.44 0.34 -1.81 -0.29 0.00 0.00 176.35 174.17 2dnc s ASP 54 N 1.48 6.41 0.66 3.68 1.01 -1.26 0.91 116.67 129.56 2dnc s ASP 54 Ca 0.29 0.43 -0.12 0.00 0.71 0.00 0.00 52.55 53.85 2dnc s ASP 54 Cb -0.15 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 2dnc s ASP 54 CO 0.09 0.05 1.05 0.00 0.21 0.00 0.00 175.17 176.57 2dnc s ALA 55 N -1.70 2.76 -0.05 5.23 0.00 -0.18 -4.87 121.76 122.96 2dnc s ALA 55 Ca 0.38 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.55 2dnc s ALA 55 Cb -0.12 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 2dnc s ALA 55 CO 0.27 -1.04 0.12 0.45 0.00 0.00 0.00 175.76 175.55 2dnc n SER 56 N -2.83 2.92 -4.19 0.00 2.88 -1.26 -2.34 113.62 108.80 2dnc n SER 56 Ca 0.07 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 2dnc n SER 56 Cb 0.53 1.08 -0.10 0.00 -0.75 0.00 0.00 64.21 64.97 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 -3.53 0.49 -0.25 -3.46 1.11 -1.26 -4.79 116.67 104.98 2dnc s ASP 57 Ca -0.04 -1.25 -0.10 0.00 0.18 0.00 0.00 52.55 51.34 2dnc s ASP 57 Cb 0.04 0.27 -0.05 0.00 1.07 0.00 0.00 42.92 44.26 2dnc s ASP 57 CO 0.36 -0.72 0.16 -1.81 1.18 0.00 0.00 175.17 174.34 2dnc s ASP 58 N -3.11 6.06 0.00 0.27 1.11 -1.26 -3.50 116.67 116.23 2dnc s ASP 58 Ca 0.28 0.08 0.00 0.00 0.18 0.00 0.00 52.55 53.08 2dnc s ASP 58 Cb 0.07 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 41.96 2dnc s ASP 58 CO 0.05 0.04 0.00 0.61 1.18 0.00 0.00 175.17 177.05 2dnc n GLY 59 N 4.45 1.43 3.62 0.21 0.00 -0.61 -4.63 105.19 109.66 2dnc n GLY 59 Ca -0.15 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.54 4.05 -0.86 -0.61 -1.09 0.34 0.19 121.20 120.68 2dnc s ILE 60 Ca 0.00 -0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 57.83 2dnc s ILE 60 Cb 0.00 -2.70 -0.08 0.00 -1.58 0.00 0.00 42.46 38.10 2dnc s ILE 60 CO 0.00 0.59 2.13 -0.22 -1.23 0.00 0.00 174.94 176.21 2dnc s LEU 61 N -0.69 3.05 0.01 2.97 0.20 0.17 -0.84 118.68 123.54 2dnc s LEU 61 Ca 0.11 -0.38 -0.02 0.00 0.69 0.00 0.00 54.13 54.52 2dnc s LEU 61 Cb -0.12 -2.56 -0.01 0.00 -0.43 0.00 0.00 46.19 43.08 2dnc s LEU 61 CO 0.02 -3.19 1.04 0.00 -0.29 0.00 0.00 176.35 173.93 2dnc h ALA 62 N 11.89 -0.62 -2.39 5.97 0.00 -1.58 0.30 119.26 132.83 2dnc h ALA 62 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2dnc h ALA 62 Cb 1.01 0.44 -0.22 0.00 0.00 0.00 0.00 17.79 19.02 2dnc h ALA 62 CO 1.13 -0.63 -0.07 0.21 0.00 0.00 0.00 179.25 179.88 2dnc s LYS 63 N -3.20 0.68 -1.03 0.00 2.36 -1.23 -4.37 119.74 112.95 2dnc s LYS 63 Ca -0.01 0.58 -0.15 0.00 -2.55 0.00 0.00 55.97 53.84 2dnc s LYS 63 Cb 0.00 0.33 0.17 0.00 -1.05 0.00 0.00 37.83 37.29 2dnc s LYS 63 CO 0.04 -0.12 1.18 0.42 1.55 0.00 0.00 175.35 178.43 2dnc s ILE 64 N -0.08 5.11 0.16 5.43 1.01 -1.26 -1.95 121.20 129.63 2dnc s ILE 64 Ca -0.03 -2.29 -0.30 0.00 0.00 0.00 0.00 60.65 58.02 2dnc s ILE 64 Cb -0.03 -4.76 -0.05 0.00 0.01 0.00 0.00 42.46 37.62 2dnc s ILE 64 CO 0.02 -1.44 1.54 0.58 0.00 0.00 0.00 174.94 175.64 2dnc h VAL 65 N 5.02 0.00 -3.40 2.92 2.07 0.50 -3.24 116.25 120.12 2dnc h VAL 65 Ca 0.21 0.00 -0.73 0.00 0.82 0.00 0.00 66.70 67.00 2dnc h VAL 65 Cb 0.96 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.49 2dnc h VAL 65 CO 1.09 0.00 -0.40 -0.69 0.02 0.00 0.00 177.57 177.60 2dnc s VAL 66 N -5.54 4.93 0.83 2.57 1.01 0.22 -4.98 120.40 119.43 2dnc s VAL 66 Ca -0.12 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 2dnc s VAL 66 Cb 0.11 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.67 2dnc s VAL 66 CO 0.63 -0.49 1.10 -1.61 0.00 0.00 0.00 175.10 174.73 2dnc s GLU 67 N 1.59 1.85 1.13 2.72 8.01 -1.23 -4.85 118.70 127.92 2dnc s GLU 67 Ca 0.04 0.58 -0.14 0.00 0.01 0.00 0.00 54.97 55.46 2dnc s GLU 67 Cb -0.23 -1.90 0.22 0.00 -4.31 0.00 0.00 34.13 27.92 2dnc s GLU 67 CO 0.06 -1.77 0.78 -0.85 0.01 0.00 0.00 175.26 173.49 2dnc n GLU 68 N -3.53 -1.99 -0.15 1.61 0.28 -1.26 -3.35 120.64 112.26 2dnc n GLU 68 Ca 0.07 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.52 2dnc n GLU 68 Cb 0.57 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.37 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 1.19 1.91 3.75 -1.84 0.00 -0.80 -5.02 105.19 104.37 2dnc n GLY 69 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.36 3.79 0.13 1.61 1.04 -1.21 -4.98 113.70 110.72 2dnc s SER 70 Ca 0.00 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.65 2dnc s SER 70 Cb 0.00 -2.06 0.03 0.00 0.10 0.00 0.00 66.02 64.08 2dnc s SER 70 CO 0.00 -2.42 0.38 -1.59 0.98 0.00 0.00 173.24 170.59 2dnc s LYS 71 N -5.04 1.07 -1.10 4.02 0.00 -1.26 -3.32 119.74 114.11 2dnc s LYS 71 Ca 0.63 -0.77 -0.02 0.00 0.00 0.00 0.00 55.97 55.81 2dnc s LYS 71 Cb -0.16 0.45 -0.02 0.00 0.00 0.00 0.00 37.83 38.10 2dnc s LYS 71 CO 0.56 -0.41 0.93 0.09 0.00 0.00 0.00 175.35 176.52 2dnc n ASN 72 N -0.21 -3.34 -4.40 0.03 4.13 -1.14 -4.92 115.26 105.41 2dnc n ASN 72 Ca -0.15 -0.62 -0.45 0.00 1.68 0.00 0.00 54.58 55.04 2dnc n ASN 72 Cb 0.63 -4.95 -0.01 0.00 -1.54 0.00 0.00 39.78 33.92 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 -3.35 5.38 1.17 2.41 -1.09 0.36 -4.84 121.20 121.25 2dnc s ILE 73 Ca 0.13 -2.64 -0.17 0.00 -2.23 0.00 0.00 60.65 55.74 2dnc s ILE 73 Cb -0.02 -4.71 0.25 0.00 -1.58 0.00 0.00 42.46 36.40 2dnc s ILE 73 CO 0.70 -1.35 0.54 -2.11 -1.23 0.00 0.00 174.94 171.49 2dnc n ARG 74 N 4.60 -3.16 -3.06 2.79 1.85 -1.26 -1.09 116.66 117.33 2dnc n ARG 74 Ca 0.26 -0.93 -0.33 0.00 -1.00 0.00 0.00 57.85 55.85 2dnc n ARG 74 Cb 0.44 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 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 -2.73 4.03 -0.50 2.89 1.43 -1.22 -4.10 118.68 118.48 2dnc s LEU 75 Ca 0.47 1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2dnc s LEU 75 Cb -0.09 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.94 2dnc s LEU 75 CO 0.41 -0.24 0.44 0.61 0.23 0.00 0.00 176.35 177.80 2dnc n GLY 76 N -0.43 0.32 3.03 -3.19 0.00 -1.22 -4.93 105.19 98.77 2dnc n GLY 76 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.22 2.75 -0.11 1.61 0.01 -1.26 -4.89 113.70 108.59 2dnc s SER 77 Ca 0.17 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 77 Cb -0.08 -1.22 -0.06 0.00 0.21 0.00 0.00 66.02 64.87 2dnc s SER 77 CO 0.28 -0.05 1.96 -0.76 0.41 0.00 0.00 173.24 175.08 2dnc s LEU 78 N 1.46 3.97 -0.17 2.44 1.43 -1.26 -2.93 118.68 123.62 2dnc s LEU 78 Ca 0.05 2.14 0.09 0.00 -1.03 0.00 0.00 54.13 55.38 2dnc s LEU 78 Cb -0.13 -3.52 -0.17 0.00 0.03 0.00 0.00 46.19 42.40 2dnc s LEU 78 CO -0.11 -1.40 -0.04 2.30 0.23 0.00 0.00 176.35 177.32 2dnc n ILE 79 N 6.49 1.11 -3.53 -0.59 -5.35 -0.85 -4.34 119.36 112.30 2dnc n ILE 79 Ca 0.23 -0.57 -0.11 0.00 -0.27 0.00 0.00 62.75 62.02 2dnc n ILE 79 Cb 0.43 -0.84 -0.04 0.00 -1.74 0.00 0.00 39.64 37.45 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 -5.35 -0.41 0.21 3.28 0.00 -1.25 0.11 107.32 103.91 2dnc s GLY 80 Ca -0.16 1.46 0.10 0.00 0.00 0.00 0.00 44.72 46.12 2dnc s GLY 80 CO 0.57 0.72 -0.11 -2.27 0.00 0.00 0.00 173.10 172.01 2dnc s LEU 81 N -1.70 2.88 -0.01 0.66 0.20 -0.82 -0.90 118.68 118.99 2dnc s LEU 81 Ca -0.01 -0.70 0.07 0.00 0.69 0.00 0.00 54.13 54.19 2dnc s LEU 81 Cb -0.01 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.22 2dnc s LEU 81 CO -0.02 0.08 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.27 2dnc s ILE 82 N -1.93 1.78 -0.09 6.68 1.01 -0.05 -1.50 121.20 127.10 2dnc s ILE 82 Ca 0.26 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2dnc s ILE 82 Cb -0.08 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2dnc s ILE 82 CO 0.15 0.45 -0.21 0.68 0.00 0.00 0.00 174.94 176.02 2dnc s VAL 83 N -0.58 1.79 -0.29 2.92 -7.23 -0.02 -0.75 120.40 116.25 2dnc s VAL 83 Ca 0.09 -0.87 -0.42 0.00 -1.81 0.00 0.00 61.98 58.97 2dnc s VAL 83 Cb -0.09 -1.56 -0.19 0.00 0.56 0.00 0.00 36.38 35.10 2dnc s VAL 83 CO -0.00 0.50 1.32 -0.62 -0.31 0.00 0.00 175.10 175.99 2dnc n GLU 84 N 3.57 0.00 -1.27 4.82 1.02 -1.26 -0.50 120.64 127.01 2dnc n GLU 84 Ca -0.20 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.51 2dnc n GLU 84 Cb 0.53 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 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 2.87 0.00 0.00 3.49 1.02 -1.26 -1.63 120.64 125.13 2dnc n GLU 85 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2dnc n GLU 85 Cb -0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 1.86 2.63 3.56 0.62 0.00 -1.26 -5.00 105.19 107.59 2dnc n GLY 86 Ca 0.16 -0.60 -0.61 0.00 0.00 0.00 0.00 46.02 44.98 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 0.08 -1.55 1.61 1.02 -0.64 -4.63 120.64 116.53 2dnc n GLU 87 Ca 0.00 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.96 2dnc n GLU 87 Cb 0.00 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.80 2dnc n GLU 87 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dnc n ASP 88 N 2.16 1.59 -0.20 1.62 2.03 -1.26 -4.73 116.55 117.76 2dnc n ASP 88 Ca 0.22 -1.11 -0.05 0.00 0.52 0.00 0.00 54.79 54.37 2dnc n ASP 88 Cb 0.06 -1.52 0.05 0.00 -0.72 0.00 0.00 41.12 38.99 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2dnc h TRP 89 N 14.24 0.65 -1.68 -0.67 5.08 -1.95 -3.41 115.95 128.21 2dnc h TRP 89 Ca -0.06 0.02 -0.66 0.00 1.08 0.00 0.00 58.89 59.27 2dnc h TRP 89 Cb 1.09 -0.21 0.01 0.00 -3.00 0.00 0.00 29.16 27.05 2dnc h TRP 89 CO 1.13 0.37 1.13 1.63 -1.28 0.00 0.00 178.44 181.41 2dnc n LYS 90 N -4.76 1.63 -1.58 0.12 5.02 -1.26 -4.83 118.16 112.50 2dnc n LYS 90 Ca 0.05 0.57 -0.44 0.00 -2.02 0.00 0.00 58.31 56.47 2dnc n LYS 90 Cb 0.09 -2.47 -0.01 0.00 -0.02 0.00 0.00 35.03 32.62 2dnc n LYS 90 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2dnc n HIS 91 N 7.17 1.09 0.01 2.13 1.44 -1.26 -4.92 115.22 120.88 2dnc n HIS 91 Ca 0.28 0.68 0.00 0.00 -2.01 0.00 0.00 57.72 56.67 2dnc n HIS 91 Cb 0.24 -2.22 0.00 0.00 0.12 0.00 0.00 29.99 28.12 2dnc n HIS 91 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2dnc n VAL 92 N 0.03 0.18 -3.62 0.61 0.31 -1.26 -5.14 118.33 109.45 2dnc n VAL 92 Ca 0.10 0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.42 2dnc n VAL 92 Cb 0.33 -1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.18 2dnc n VAL 92 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dnc s SER 93 N -5.10 -0.26 0.38 4.52 0.15 -1.26 -5.19 113.70 106.94 2dnc s SER 93 Ca 0.00 0.38 0.04 0.00 0.70 0.00 0.00 55.95 57.07 2dnc s SER 93 Cb 0.00 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2dnc s SER 93 CO 0.00 -0.18 0.15 -0.83 1.20 0.00 0.00 173.24 173.57 2dnc s GLY 94 N -0.63 2.48 -1.13 9.45 0.00 -1.26 -5.03 107.32 111.21 2dnc s GLY 94 Ca 0.03 -1.44 -0.07 0.00 0.00 0.00 0.00 44.72 43.24 2dnc s GLY 94 CO -0.05 -1.76 2.51 -1.55 0.00 0.00 0.00 173.10 172.25 2dnc n PRO 95 N -0.82 2.68 -3.21 2.90 -0.04 -1.26 -4.65 135.00 130.60 2dnc n PRO 95 Ca -0.03 -1.69 -0.15 0.00 -0.04 0.00 0.00 63.50 61.59 2dnc n PRO 95 Cb 0.65 -2.54 0.01 0.00 -0.04 0.00 0.00 33.50 31.58 2dnc n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnc n SER 96 N 3.83 -6.52 -0.07 3.54 2.88 -1.26 -4.95 113.62 111.07 2dnc n SER 96 Ca 0.57 0.35 -0.05 0.00 -1.33 0.00 0.00 58.87 58.42 2dnc n SER 96 Cb 0.21 -2.46 -0.02 0.00 -0.75 0.00 0.00 64.21 61.19 2dnc n SER 96 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dnc h SER 97 N 2.85 0.00 0.00 -3.46 0.02 -2.02 -3.57 113.55 107.37 2dnc h SER 97 Ca -0.20 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2dnc h SER 97 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2dnc h SER 97 CO 0.11 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.16