#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 -0.05 -4.70 1.61 2.88 -1.26 -5.10 113.62 107.01 2dnc n SER 2 Ca 0.00 0.35 -0.35 0.00 -1.33 0.00 0.00 58.87 57.54 2dnc n SER 2 Cb 0.00 0.27 0.10 0.00 -0.75 0.00 0.00 64.21 63.82 2dnc n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnc n SER 3 N -3.26 1.40 0.00 -3.46 2.88 -1.26 -4.88 113.62 105.04 2dnc n SER 3 Ca 0.00 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2dnc n SER 3 Cb 0.01 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 2dnc n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnc n GLY 4 N 0.78 1.71 2.12 0.46 0.00 -1.26 -5.09 105.19 103.91 2dnc n GLY 4 Ca 0.15 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2dnc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnc n SER 5 N 0.00 -2.18 -3.62 1.61 2.88 -1.26 -5.17 113.62 105.87 2dnc n SER 5 Ca 0.00 0.51 -0.01 0.00 -1.33 0.00 0.00 58.87 58.04 2dnc n SER 5 Cb 0.00 2.21 -0.01 0.00 -0.75 0.00 0.00 64.21 65.66 2dnc n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnc s SER 6 N -2.07 -0.09 0.00 -3.46 1.04 -1.26 -5.18 113.70 102.68 2dnc s SER 6 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2dnc s SER 6 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2dnc s SER 6 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2dnc n GLY 7 N -0.37 2.91 3.50 7.32 0.00 -1.26 -4.94 105.19 112.35 2dnc n GLY 7 Ca -0.06 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.86 4.95 0.05 -0.61 1.01 0.50 -4.84 121.20 119.40 2dnc s ILE 8 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 2dnc s ILE 8 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 2dnc s ILE 8 CO 0.00 -0.51 1.26 -1.59 0.00 0.00 0.00 174.94 174.09 2dnc s LYS 9 N 2.50 4.38 -0.47 2.79 -2.85 -1.26 0.93 119.74 125.75 2dnc s LYS 9 Ca 0.18 1.83 -0.27 0.00 -1.00 0.00 0.00 55.97 56.71 2dnc s LYS 9 Cb -0.15 -3.39 0.03 0.00 -2.06 0.00 0.00 37.83 32.25 2dnc s LYS 9 CO 0.16 -0.36 1.02 0.42 0.10 0.00 0.00 175.35 176.69 2dnc s ILE 10 N 1.41 4.35 -0.11 3.79 1.01 0.38 -4.92 121.20 127.11 2dnc s ILE 10 Ca 0.60 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 62.15 2dnc s ILE 10 Cb -0.30 -4.51 -0.03 0.00 0.01 0.00 0.00 42.46 37.62 2dnc s ILE 10 CO 0.28 -0.93 -0.02 -0.76 0.00 0.00 0.00 174.94 173.51 2dnc s LEU 11 N 4.07 3.44 -0.50 2.97 1.43 -1.25 -1.83 118.68 127.00 2dnc s LEU 11 Ca 0.41 0.04 -0.33 0.00 -1.03 0.00 0.00 54.13 53.22 2dnc s LEU 11 Cb -0.09 -1.80 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 2dnc s LEU 11 CO 0.28 0.31 2.33 0.80 0.23 0.00 0.00 176.35 180.30 2dnc n MET 12 N 2.62 0.84 -2.30 1.70 0.00 -0.96 -4.80 117.12 114.21 2dnc n MET 12 Ca -0.18 0.17 -0.33 0.00 -0.00 0.00 0.00 57.70 57.36 2dnc n MET 12 Cb 0.53 -2.46 -0.01 0.00 0.00 0.00 0.00 33.22 31.27 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 7.15 3.59 -1.32 2.12 0.04 -1.26 -3.41 135.00 141.91 2dnc s PRO 13 Ca 1.12 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 63.34 2dnc s PRO 13 Cb -0.81 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 2dnc s PRO 13 CO 0.45 -0.60 2.74 0.45 0.04 0.00 0.00 177.00 180.08 2dnc n SER 14 N -1.51 7.43 -0.36 6.66 2.88 -1.26 -4.61 113.62 122.84 2dnc n SER 14 Ca 0.09 -2.49 0.37 0.00 -1.33 0.00 0.00 58.87 55.52 2dnc n SER 14 Cb 0.53 -1.41 0.75 0.00 -0.75 0.00 0.00 64.21 63.33 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2dnc h LEU 15 N 7.25 0.00 -8.89 2.46 3.38 -1.96 -3.39 115.31 114.16 2dnc h LEU 15 Ca 0.72 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 58.17 2dnc h LEU 15 Cb 0.31 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.89 2dnc h LEU 15 CO 1.59 0.00 -0.77 -0.44 0.09 0.00 0.00 178.44 178.91 2dnc s SER 16 N -4.84 2.80 0.35 -0.43 0.01 -1.26 -5.09 113.70 105.23 2dnc s SER 16 Ca -0.05 -0.91 -0.26 0.00 1.31 0.00 0.00 55.95 56.04 2dnc s SER 16 Cb 0.23 -0.17 -0.09 0.00 0.21 0.00 0.00 66.02 66.19 2dnc s SER 16 CO 0.79 -0.05 1.06 -2.16 0.41 0.00 0.00 173.24 173.30 2dnc s PRO 17 N -3.04 4.36 -1.22 12.44 0.04 -1.26 -3.05 135.00 143.27 2dnc s PRO 17 Ca 0.19 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2dnc s PRO 17 Cb -0.05 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2dnc s PRO 17 CO 0.08 0.01 0.00 0.25 0.04 0.00 0.00 177.00 177.38 2dnc n THR 18 N 0.45 -0.33 -2.23 1.26 -2.24 -1.26 -4.84 114.28 105.09 2dnc n THR 18 Ca 0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 2dnc n THR 18 Cb 0.48 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.13 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 -4.14 3.20 0.30 -0.78 0.00 -1.17 -4.84 119.30 111.86 2dnc s MET 19 Ca 0.00 0.76 0.07 0.00 0.00 0.00 0.00 55.69 56.52 2dnc s MET 19 Cb 0.00 -4.18 0.46 0.00 0.00 0.00 0.00 34.83 31.10 2dnc s MET 19 CO 0.00 -2.04 1.70 0.93 0.00 0.00 0.00 175.02 175.60 2dnc h GLU 20 N 12.24 0.21 0.00 4.11 5.08 -1.92 -3.44 114.58 130.86 2dnc h GLU 20 Ca -0.28 -0.10 0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2dnc h GLU 20 Cb 1.12 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2dnc h GLU 20 CO 1.14 0.61 0.51 -0.85 -1.00 0.00 0.00 179.01 179.42 2dnc n GLU 21 N -4.01 0.38 -0.75 2.33 0.28 -1.26 -3.49 120.64 114.13 2dnc n GLU 21 Ca -0.02 -0.95 0.00 0.00 -0.16 0.00 0.00 57.16 56.03 2dnc n GLU 21 Cb 0.49 1.34 0.00 0.00 1.43 0.00 0.00 31.44 34.70 2dnc n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnc n GLY 22 N -0.59 3.59 3.16 -1.84 0.00 -0.82 -4.85 105.19 103.84 2dnc n GLY 22 Ca -0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 0.26 -0.09 -0.53 1.61 0.01 -1.05 0.57 114.94 115.71 2dnc s ASN 23 Ca 0.00 0.79 -0.28 0.00 -0.71 0.00 0.00 52.86 52.66 2dnc s ASN 23 Cb 0.00 0.93 0.02 0.00 0.41 0.00 0.00 41.25 42.61 2dnc s ASN 23 CO 0.00 -0.22 1.33 -0.63 -1.51 0.00 0.00 177.10 176.07 2dnc s ILE 24 N 2.20 3.90 0.01 0.60 1.01 -1.25 0.63 121.20 128.30 2dnc s ILE 24 Ca -0.03 0.83 -0.22 0.00 0.00 0.00 0.00 60.65 61.23 2dnc s ILE 24 Cb -0.11 -4.49 -0.12 0.00 0.01 0.00 0.00 42.46 37.75 2dnc s ILE 24 CO -0.11 -1.13 1.03 0.58 0.00 0.00 0.00 174.94 175.31 2dnc h VAL 25 N 6.33 0.00 -3.45 2.92 2.07 -0.76 -2.82 116.25 120.54 2dnc h VAL 25 Ca -0.26 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 2dnc h VAL 25 Cb 1.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 2dnc h VAL 25 CO 1.16 0.00 -0.14 -0.75 0.02 0.00 0.00 177.57 177.86 2dnc s LYS 26 N -4.24 1.00 -0.24 1.57 2.20 -1.26 -3.86 119.74 114.91 2dnc s LYS 26 Ca -0.11 -0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 54.63 2dnc s LYS 26 Cb 0.01 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 2dnc s LYS 26 CO 0.34 -0.37 0.32 -1.58 -0.36 0.00 0.00 175.35 173.70 2dnc s TRP 27 N -3.67 3.31 -0.47 4.03 0.52 -1.26 -1.29 118.94 120.11 2dnc s TRP 27 Ca 0.02 0.43 0.25 0.00 0.02 0.00 0.00 56.10 56.82 2dnc s TRP 27 Cb 0.02 -2.47 0.61 0.00 -1.15 0.00 0.00 33.47 30.47 2dnc s TRP 27 CO -0.11 -0.07 1.70 -0.07 0.02 0.00 0.00 176.95 178.42 2dnc h LEU 28 N 7.97 0.00 -9.65 2.99 3.38 0.17 -3.45 115.31 116.73 2dnc h LEU 28 Ca -0.35 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.01 2dnc h LEU 28 Cb 1.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 2dnc h LEU 28 CO 0.67 0.00 -0.60 -0.54 0.09 0.00 0.00 178.44 178.06 2dnc s LYS 29 N -3.23 1.99 0.44 1.13 1.02 -0.74 -4.99 119.74 115.36 2dnc s LYS 29 Ca 0.07 -1.99 0.06 0.00 0.02 0.00 0.00 55.97 54.13 2dnc s LYS 29 Cb 0.08 -1.74 -0.06 0.00 -0.52 0.00 0.00 37.83 35.59 2dnc s LYS 29 CO 0.62 -0.00 0.05 0.15 -0.92 0.00 0.00 175.35 175.25 2dnc s LYS 30 N -3.72 2.07 -0.06 1.68 -0.14 -1.26 -5.04 119.74 113.26 2dnc s LYS 30 Ca 0.35 -2.14 -0.30 0.00 -1.36 0.00 0.00 55.97 52.52 2dnc s LYS 30 Cb 0.06 -1.68 -0.03 0.00 -1.68 0.00 0.00 37.83 34.51 2dnc s LYS 30 CO 0.19 -0.16 1.21 -1.21 -0.76 0.00 0.00 175.35 174.62 2dnc s GLU 31 N -3.80 4.34 0.00 1.68 2.02 -1.26 -2.55 118.70 119.13 2dnc s GLU 31 Ca 0.28 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.95 2dnc s GLU 31 Cb 0.07 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.72 2dnc s GLU 31 CO 0.15 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2dnc n GLY 32 N 3.39 1.08 3.81 -1.39 0.00 0.65 -5.03 105.19 107.70 2dnc n GLY 32 Ca 0.11 0.00 -0.31 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 -0.99 2.75 0.72 1.61 0.41 -1.06 -4.64 118.70 117.51 2dnc s GLU 33 Ca 0.00 0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 55.43 2dnc s GLU 33 Cb 0.00 -1.97 0.04 0.00 -1.78 0.00 0.00 34.13 30.42 2dnc s GLU 33 CO 0.00 -1.24 1.09 0.00 -0.49 0.00 0.00 175.26 174.62 2dnc s ALA 34 N -3.03 2.89 -0.02 5.21 0.00 -1.26 -0.14 121.76 125.41 2dnc s ALA 34 Ca 0.59 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 2dnc s ALA 34 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2dnc s ALA 34 CO 0.55 -1.27 0.06 0.08 0.00 0.00 0.00 175.76 175.19 2dnc s VAL 35 N -3.37 0.02 0.01 0.00 1.01 0.50 -4.72 120.40 113.84 2dnc s VAL 35 Ca 0.59 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2dnc s VAL 35 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2dnc s VAL 35 CO 0.50 -0.09 -0.11 -0.44 0.00 0.00 0.00 175.10 174.95 2dnc s SER 36 N -0.27 1.27 0.18 3.32 0.01 -1.26 -1.39 113.70 115.56 2dnc s SER 36 Ca -0.03 -0.27 -0.33 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 36 Cb -0.02 -0.12 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 2dnc s SER 36 CO 0.00 0.08 1.66 0.00 0.41 0.00 0.00 173.24 175.40 2dnc n ALA 37 N 2.53 2.10 0.00 1.44 0.00 -1.25 -1.44 120.51 123.89 2dnc n ALA 37 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2dnc n ALA 37 Cb 0.56 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 3.73 3.10 3.72 0.00 0.00 -0.35 -4.93 105.19 110.45 2dnc n GLY 38 Ca 0.17 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2dnc n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dnc n ASP 39 N 1.03 2.36 -4.73 1.61 9.92 -0.52 -4.49 116.55 121.74 2dnc n ASP 39 Ca 0.00 0.97 -0.41 0.00 -0.53 0.00 0.00 54.79 54.82 2dnc n ASP 39 Cb 0.00 -1.53 -0.05 0.00 -0.64 0.00 0.00 41.12 38.90 2dnc n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dnc s ALA 40 N -1.30 3.26 -0.24 2.24 0.00 -1.26 -0.73 121.76 123.72 2dnc s ALA 40 Ca 0.70 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 2dnc s ALA 40 Cb -0.43 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.30 2dnc s ALA 40 CO 0.50 -0.02 -0.34 1.28 0.00 0.00 0.00 175.76 177.19 2dnc n LEU 41 N 2.62 1.95 -4.01 0.00 4.77 0.23 -4.65 117.00 117.91 2dnc n LEU 41 Ca 0.02 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 2dnc n LEU 41 Cb 0.49 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 2dnc n LEU 41 CO 0.51 0.29 0.16 0.00 -1.33 0.00 0.00 177.39 177.02 2dnc s GLU 43 N -4.00 3.47 -0.11 0.00 2.02 -0.41 0.12 118.70 119.78 2dnc s GLU 43 Ca 0.23 -0.57 -0.15 0.00 0.02 0.00 0.00 54.97 54.50 2dnc s GLU 43 Cb -0.00 -3.83 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 2dnc s GLU 43 CO 0.09 -0.52 0.36 0.42 0.02 0.00 0.00 175.26 175.63 2dnc s ILE 44 N 1.88 5.22 -0.02 -1.63 -1.09 0.88 -0.02 121.20 126.41 2dnc s ILE 44 Ca 0.09 0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 59.06 2dnc s ILE 44 Cb -0.17 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2dnc s ILE 44 CO 0.11 0.43 0.41 -0.70 -1.23 0.00 0.00 174.94 173.96 2dnc s GLU 45 N 0.03 3.98 -0.03 2.79 2.12 0.20 -1.39 118.70 126.41 2dnc s GLU 45 Ca 0.21 0.40 -0.06 0.00 0.36 0.00 0.00 54.97 55.88 2dnc s GLU 45 Cb -0.14 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.00 2dnc s GLU 45 CO 0.08 0.60 0.13 0.95 -0.54 0.00 0.00 175.26 176.49 2dnc s THR 46 N -0.79 0.04 0.32 -1.70 -4.23 -0.98 -2.54 115.64 105.76 2dnc s THR 46 Ca 0.24 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.53 2dnc s THR 46 Cb -0.16 -0.30 0.31 0.00 1.34 0.00 0.00 72.50 73.69 2dnc s THR 46 CO 0.12 -0.17 1.68 0.44 -0.54 0.00 0.00 174.62 176.16 2dnc h ASP 47 N 5.24 0.41 0.06 3.99 3.32 -1.98 -1.21 116.42 126.24 2dnc h ASP 47 Ca -0.28 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2dnc h ASP 47 Cb 1.20 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 2dnc h ASP 47 CO 0.41 -0.07 -0.09 0.11 -1.72 0.00 0.00 179.24 177.89 2dnc h LYS 48 N 0.37 -0.15 0.00 3.56 1.79 -1.98 -3.48 116.57 116.67 2dnc h LYS 48 Ca 0.65 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 2dnc h LYS 48 Cb 1.36 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2dnc h LYS 48 CO -0.58 -0.10 0.00 0.00 -1.08 0.00 0.00 179.45 177.69 2dnc n ALA 49 N -2.42 0.00 -2.62 3.86 0.00 -0.46 -5.11 120.51 113.76 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 19.48 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 -2.79 4.44 0.36 0.00 0.11 -1.26 -2.32 120.40 118.94 2dnc s VAL 50 Ca 0.00 0.39 0.08 0.00 -2.93 0.00 0.00 61.98 59.51 2dnc s VAL 50 Cb 0.00 -4.49 -0.03 0.00 -1.53 0.00 0.00 36.38 30.33 2dnc s VAL 50 CO 0.00 -1.01 0.29 0.68 -3.33 0.00 0.00 175.10 171.73 2dnc s VAL 51 N 3.82 3.14 0.04 2.04 -7.23 -0.48 -5.01 120.40 116.72 2dnc s VAL 51 Ca 0.32 -1.43 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 2dnc s VAL 51 Cb -0.12 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 2dnc s VAL 51 CO 0.21 -0.12 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.78 2dnc s THR 52 N -2.39 1.76 -0.27 5.32 2.01 -1.26 -0.08 115.64 120.73 2dnc s THR 52 Ca 0.43 -1.23 -0.25 0.00 0.31 0.00 0.00 61.69 60.95 2dnc s THR 52 Cb -0.04 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.95 2dnc s THR 52 CO 0.26 0.24 0.84 -0.22 -0.69 0.00 0.00 174.62 175.05 2dnc s LEU 53 N -1.18 4.07 -0.12 4.42 0.20 0.32 -4.77 118.68 121.62 2dnc s LEU 53 Ca 0.08 0.91 -0.06 0.00 0.69 0.00 0.00 54.13 55.75 2dnc s LEU 53 Cb -0.09 -3.19 -0.04 0.00 -0.43 0.00 0.00 46.19 42.44 2dnc s LEU 53 CO 0.02 -0.59 0.12 -1.81 -0.29 0.00 0.00 176.35 173.80 2dnc s ASP 54 N 1.46 6.18 0.35 3.68 1.01 -1.26 0.76 116.67 128.86 2dnc s ASP 54 Ca 0.35 0.39 -0.28 0.00 0.71 0.00 0.00 52.55 53.72 2dnc s ASP 54 Cb -0.15 -1.98 -0.11 0.00 1.01 0.00 0.00 42.92 41.70 2dnc s ASP 54 CO 0.10 0.38 1.43 0.00 0.21 0.00 0.00 175.17 177.29 2dnc s ALA 55 N -0.86 3.56 -0.24 5.23 0.00 0.09 -4.80 121.76 124.74 2dnc s ALA 55 Ca 0.14 1.47 0.22 0.00 0.00 0.00 0.00 51.96 53.79 2dnc s ALA 55 Cb -0.12 -3.57 -0.19 0.00 0.00 0.00 0.00 23.12 19.24 2dnc s ALA 55 CO 0.03 -0.91 0.73 0.45 0.00 0.00 0.00 175.76 176.06 2dnc n SER 56 N 0.70 0.37 -3.83 0.00 2.88 -1.26 -1.21 113.62 111.26 2dnc n SER 56 Ca 0.01 -0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 2dnc n SER 56 Cb 0.40 1.37 -0.06 0.00 -0.75 0.00 0.00 64.21 65.17 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 -4.52 -0.03 -0.15 -3.46 1.01 -1.26 -4.83 116.67 103.42 2dnc s ASP 57 Ca -0.03 -0.64 -0.19 0.00 0.71 0.00 0.00 52.55 52.40 2dnc s ASP 57 Cb 0.13 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.46 2dnc s ASP 57 CO 0.86 -0.85 0.53 1.51 0.21 0.00 0.00 175.17 177.42 2dnc s ASP 58 N -2.89 6.66 0.11 0.27 -4.77 -1.26 -3.95 116.67 110.85 2dnc s ASP 58 Ca 0.09 0.79 -0.20 0.00 -3.30 0.00 0.00 52.55 49.93 2dnc s ASP 58 Cb 0.03 -2.31 0.07 0.00 -1.09 0.00 0.00 42.92 39.62 2dnc s ASP 58 CO -0.06 -0.11 0.95 0.61 0.70 0.00 0.00 175.17 177.26 2dnc n GLY 59 N 3.55 0.58 3.67 2.12 0.00 -0.49 -4.61 105.19 110.01 2dnc n GLY 59 Ca -0.05 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.10 4.79 -0.89 -0.61 -1.09 0.64 0.19 121.20 122.13 2dnc s ILE 60 Ca 0.22 -0.04 -0.25 0.00 -2.23 0.00 0.00 60.65 58.34 2dnc s ILE 60 Cb -0.02 -3.12 -0.11 0.00 -1.58 0.00 0.00 42.46 37.63 2dnc s ILE 60 CO 0.03 0.51 2.17 -0.22 -1.23 0.00 0.00 174.94 176.19 2dnc s LEU 61 N -0.02 2.95 0.13 2.97 0.20 0.80 -0.81 118.68 124.91 2dnc s LEU 61 Ca 0.06 -0.45 -0.28 0.00 0.69 0.00 0.00 54.13 54.15 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 0.01 -3.45 1.59 0.00 -0.29 0.00 0.00 176.35 174.21 2dnc h ALA 62 N 11.82 -0.51 -2.95 5.97 0.00 -0.04 0.18 119.26 133.72 2dnc h ALA 62 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2dnc h ALA 62 Cb 1.00 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2dnc h ALA 62 CO 1.10 -0.88 0.13 -1.59 0.00 0.00 0.00 179.25 178.01 2dnc s LYS 63 N -5.92 1.84 -0.62 0.00 -2.85 -1.14 -4.44 119.74 106.61 2dnc s LYS 63 Ca -0.15 -1.21 0.04 0.00 -1.00 0.00 0.00 55.97 53.65 2dnc s LYS 63 Cb 0.10 0.57 0.16 0.00 -2.06 0.00 0.00 37.83 36.59 2dnc s LYS 63 CO 0.65 -0.83 0.41 0.42 0.10 0.00 0.00 175.35 176.10 2dnc s ILE 64 N -3.52 2.55 0.15 3.79 1.01 -1.26 -1.60 121.20 122.32 2dnc s ILE 64 Ca 0.16 -3.84 -0.29 0.00 0.00 0.00 0.00 60.65 56.68 2dnc s ILE 64 Cb -0.04 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.66 2dnc s ILE 64 CO 0.09 -0.97 1.51 0.58 0.00 0.00 0.00 174.94 176.15 2dnc h VAL 65 N 4.72 0.00 -3.55 2.92 2.07 -1.47 -3.34 116.25 117.60 2dnc h VAL 65 Ca 0.09 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.97 2dnc h VAL 65 Cb 0.81 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.37 2dnc h VAL 65 CO 0.67 0.00 -0.61 -0.69 0.02 0.00 0.00 177.57 176.97 2dnc s VAL 66 N -5.35 4.46 0.73 2.57 1.01 -0.79 -4.96 120.40 118.08 2dnc s VAL 66 Ca -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2dnc s VAL 66 Cb 0.10 -3.06 0.15 0.00 0.00 0.00 0.00 36.38 33.57 2dnc s VAL 66 CO 0.58 0.37 0.99 -0.62 0.00 0.00 0.00 175.10 176.43 2dnc n GLU 67 N 4.49 -0.26 -2.58 2.72 -0.58 -1.26 -4.79 120.64 118.38 2dnc n GLU 67 Ca -0.16 -2.47 -0.37 0.00 -0.42 0.00 0.00 57.16 53.74 2dnc n GLU 67 Cb 0.52 -0.73 -0.04 0.00 -0.57 0.00 0.00 31.44 30.61 2dnc n GLU 67 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dnc s GLU 68 N -5.08 4.28 0.00 3.49 4.04 -1.26 -3.75 118.70 120.41 2dnc s GLU 68 Ca 0.64 1.50 0.00 0.00 0.04 0.00 0.00 54.97 57.15 2dnc s GLU 68 Cb -0.03 -2.64 0.00 0.00 0.02 0.00 0.00 34.13 31.48 2dnc s GLU 68 CO 0.43 -0.04 0.00 0.41 -1.84 0.00 0.00 175.26 174.22 2dnc n GLY 69 N 0.44 2.35 3.75 -3.83 0.00 -1.06 -5.02 105.19 101.82 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 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 70 N -1.75 3.86 0.03 1.61 0.01 -1.25 -5.02 113.70 111.19 2dnc s SER 70 Ca 0.00 1.42 -0.07 0.00 1.31 0.00 0.00 55.95 58.61 2dnc s SER 70 Cb 0.00 -2.12 -0.00 0.00 0.21 0.00 0.00 66.02 64.11 2dnc s SER 70 CO 0.00 -2.38 0.14 -1.59 0.41 0.00 0.00 173.24 169.82 2dnc s LYS 71 N -5.02 0.59 -0.51 12.44 0.00 -1.26 -3.90 119.74 122.09 2dnc s LYS 71 Ca 0.62 -0.60 -0.04 0.00 0.00 0.00 0.00 55.97 55.96 2dnc s LYS 71 Cb -0.17 0.24 0.00 0.00 0.00 0.00 0.00 37.83 37.91 2dnc s LYS 71 CO 0.56 -0.15 0.52 0.09 0.00 0.00 0.00 175.35 176.37 2dnc n ASN 72 N 0.96 -6.57 -4.16 0.03 4.13 -0.86 -4.97 115.26 103.82 2dnc n ASN 72 Ca -0.20 0.08 -0.39 0.00 1.68 0.00 0.00 54.58 55.75 2dnc n ASN 72 Cb 0.58 -4.39 -0.07 0.00 -1.54 0.00 0.00 39.78 34.35 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 -2.79 4.34 1.10 2.41 -1.09 0.19 -4.86 121.20 120.51 2dnc s ILE 73 Ca 0.06 -3.05 -0.17 0.00 -2.23 0.00 0.00 60.65 55.25 2dnc s ILE 73 Cb -0.02 -3.75 0.11 0.00 -1.58 0.00 0.00 42.46 37.22 2dnc s ILE 73 CO 0.59 -0.96 0.14 -2.11 -1.23 0.00 0.00 174.94 171.37 2dnc n ARG 74 N 3.33 -1.48 -1.50 2.79 0.00 -1.26 -1.95 116.66 116.59 2dnc n ARG 74 Ca 0.12 -0.41 -0.31 0.00 -0.00 0.00 0.00 57.85 57.25 2dnc n ARG 74 Cb 0.40 -1.76 0.06 0.00 -0.00 0.00 0.00 32.46 31.16 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dnc s LEU 75 N -1.72 3.13 -1.12 2.89 1.43 -1.23 -3.81 118.68 118.26 2dnc s LEU 75 Ca 0.57 1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 2dnc s LEU 75 Cb -0.14 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2dnc s LEU 75 CO 0.66 -1.64 0.98 0.61 0.23 0.00 0.00 176.35 177.19 2dnc n GLY 76 N -1.59 -0.29 3.40 -3.19 0.00 -1.22 -4.88 105.19 97.41 2dnc n GLY 76 Ca 0.08 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2dnc n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnc s SER 77 N -3.39 3.97 -0.55 1.61 1.04 -1.25 -4.85 113.70 110.29 2dnc s SER 77 Ca 0.43 -0.29 -0.28 0.00 0.48 0.00 0.00 55.95 56.28 2dnc s SER 77 Cb -0.19 -1.32 0.02 0.00 0.10 0.00 0.00 66.02 64.64 2dnc s SER 77 CO 0.61 0.23 1.28 -0.76 0.98 0.00 0.00 173.24 175.58 2dnc s LEU 78 N -0.04 3.47 -0.00 2.42 1.43 -1.25 -2.26 118.68 122.43 2dnc s LEU 78 Ca -0.03 0.27 0.14 0.00 -1.03 0.00 0.00 54.13 53.48 2dnc s LEU 78 Cb -0.14 -3.21 -0.16 0.00 0.03 0.00 0.00 46.19 42.71 2dnc s LEU 78 CO 0.04 -1.53 0.56 2.30 0.23 0.00 0.00 176.35 177.95 2dnc n ILE 79 N 6.79 0.00 -3.63 -0.59 -5.35 -0.76 -3.96 119.36 111.86 2dnc n ILE 79 Ca 0.11 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.37 2dnc n ILE 79 Cb 0.49 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 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 -2.52 -0.07 -0.04 3.28 0.00 -1.25 -1.37 107.32 105.35 2dnc s GLY 80 Ca 0.04 2.36 0.05 0.00 0.00 0.00 0.00 44.72 47.16 2dnc s GLY 80 CO 0.58 0.89 -0.19 -2.27 0.00 0.00 0.00 173.10 172.11 2dnc s LEU 81 N -1.47 2.46 0.02 0.66 1.98 -0.63 0.14 118.68 121.85 2dnc s LEU 81 Ca 0.09 -0.31 0.04 0.00 -2.89 0.00 0.00 54.13 51.06 2dnc s LEU 81 Cb -0.01 -1.47 -0.03 0.00 0.66 0.00 0.00 46.19 45.33 2dnc s LEU 81 CO -0.05 0.32 -0.07 -0.63 -1.89 0.00 0.00 176.35 174.02 2dnc s ILE 82 N -0.60 3.59 -0.05 6.68 1.01 0.26 0.70 121.20 132.79 2dnc s ILE 82 Ca 0.09 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2dnc s ILE 82 Cb -0.11 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2dnc s ILE 82 CO 0.00 0.36 -0.06 0.68 0.00 0.00 0.00 174.94 175.92 2dnc s VAL 83 N -1.02 0.66 -0.13 2.92 -7.23 0.01 0.19 120.40 115.80 2dnc s VAL 83 Ca 0.17 -0.20 -0.40 0.00 -1.81 0.00 0.00 61.98 59.74 2dnc s VAL 83 Cb -0.11 -0.65 -0.19 0.00 0.56 0.00 0.00 36.38 35.98 2dnc s VAL 83 CO 0.08 0.25 1.16 -0.62 -0.31 0.00 0.00 175.10 175.66 2dnc n GLU 84 N 3.94 0.00 -1.63 4.82 1.02 -1.26 -0.26 120.64 127.27 2dnc n GLU 84 Ca -0.25 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.27 2dnc n GLU 84 Cb 0.51 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.14 0.00 3.49 1.02 -1.26 -0.93 120.64 125.19 2dnc n GLU 85 Ca 0.22 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2dnc n GLU 85 Cb 0.04 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 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 2.83 3.07 3.39 0.62 0.00 -1.26 -5.03 105.19 108.80 2dnc n GLY 86 Ca 0.25 -0.83 -0.59 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 0.00 -1.53 1.61 -0.58 -0.10 -4.56 120.64 115.47 2dnc n GLU 87 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 2dnc n GLU 87 Cb 0.00 -1.40 -0.12 0.00 -0.57 0.00 0.00 31.44 29.35 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dnc n ASP 88 N 2.51 0.80 0.02 1.62 9.92 -1.26 -4.71 116.55 125.44 2dnc n ASP 88 Ca 0.24 -0.86 -0.13 0.00 -0.53 0.00 0.00 54.79 53.51 2dnc n ASP 88 Cb 0.01 -1.25 -0.09 0.00 -0.64 0.00 0.00 41.12 39.15 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2dnc h TRP 89 N 13.38 -0.04 0.33 1.24 5.08 -1.95 -3.25 115.95 130.74 2dnc h TRP 89 Ca -0.04 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.93 2dnc h TRP 89 Cb 1.12 0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 27.27 2dnc h TRP 89 CO 1.18 0.32 -0.44 -0.22 -1.28 0.00 0.00 178.44 178.00 2dnc h LYS 90 N -0.42 -0.78 -2.73 0.12 3.64 -1.89 -3.49 116.57 111.02 2dnc h LYS 90 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2dnc h LYS 90 Cb 0.39 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2dnc h LYS 90 CO 0.01 -0.52 -0.65 1.58 -2.27 0.00 0.00 179.45 177.60 2dnc n HIS 91 N -5.07 -3.22 0.03 1.91 -0.00 -1.23 -5.05 115.22 102.59 2dnc n HIS 91 Ca -0.09 1.69 0.00 0.00 0.46 0.00 0.00 57.72 59.78 2dnc n HIS 91 Cb 0.39 -2.91 0.00 0.00 -0.12 0.00 0.00 29.99 27.34 2dnc n HIS 91 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2dnc n VAL 92 N -0.28 0.00 0.16 3.57 0.24 -1.26 -5.06 118.33 115.71 2dnc n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2dnc n VAL 92 Cb 0.00 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 2dnc n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dnc n SER 93 N -2.71 -1.04 0.00 -1.34 7.64 -1.26 -5.18 113.62 109.72 2dnc n SER 93 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2dnc n SER 93 Cb 0.00 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 0.87 -3.63 3.77 0.23 0.00 -1.26 -4.99 105.19 100.18 2dnc n GLY 94 Ca 0.00 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.90 4.37 -0.73 1.61 0.04 -1.26 -4.97 135.00 133.15 2dnc s PRO 95 Ca 0.00 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 2dnc s PRO 95 Cb 0.00 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.76 2dnc s PRO 95 CO 0.00 0.01 1.26 0.45 0.04 0.00 0.00 177.00 178.76 2dnc s SER 96 N -1.29 6.17 0.87 6.66 0.15 -1.26 -4.98 113.70 120.02 2dnc s SER 96 Ca 0.52 -0.46 -0.17 0.00 0.70 0.00 0.00 55.95 56.54 2dnc s SER 96 Cb -0.26 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.36 2dnc s SER 96 CO 0.33 -1.81 -0.54 -1.54 1.20 0.00 0.00 173.24 170.88 2dnc n SER 97 N 9.25 -5.12 -0.94 5.45 3.41 -1.26 -5.35 113.62 119.07 2dnc n SER 97 Ca 0.03 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 2dnc n SER 97 Cb 0.49 -0.82 0.10 0.00 -0.26 0.00 0.00 64.21 63.72 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49