#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc s SER 2 N 0.00 -0.11 -0.35 1.61 0.15 -1.26 -5.10 113.70 108.64 2dnc s SER 2 Ca 0.00 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.88 2dnc s SER 2 Cb 0.00 0.20 0.19 0.00 -1.71 0.00 0.00 66.02 64.70 2dnc s SER 2 CO 0.00 -0.09 0.88 -0.55 1.20 0.00 0.00 173.24 174.68 2dnc s SER 3 N 0.58 -0.82 0.16 5.45 0.15 -1.26 -5.16 113.70 112.80 2dnc s SER 3 Ca -0.04 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.22 2dnc s SER 3 Cb -0.06 1.11 -0.05 0.00 -1.71 0.00 0.00 66.02 65.31 2dnc s SER 3 CO -0.03 -0.10 0.39 -0.83 1.20 0.00 0.00 173.24 173.88 2dnc s GLY 4 N 2.06 2.17 0.13 9.45 0.00 -1.26 -5.10 107.32 114.77 2dnc s GLY 4 Ca 0.16 -0.58 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 2dnc s GLY 4 CO -0.13 -0.50 0.44 -0.45 0.00 0.00 0.00 173.10 172.46 2dnc s SER 5 N -2.54 -0.31 -0.35 1.64 0.15 -1.26 -5.07 113.70 105.95 2dnc s SER 5 Ca 0.41 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.84 2dnc s SER 5 Cb -0.12 0.50 0.14 0.00 -1.71 0.00 0.00 66.02 64.83 2dnc s SER 5 CO 0.25 -0.87 0.26 -0.44 1.20 0.00 0.00 173.24 173.65 2dnc s SER 6 N -2.75 2.36 0.11 5.45 0.01 -1.26 -5.13 113.70 112.50 2dnc s SER 6 Ca 0.02 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.34 2dnc s SER 6 Cb 0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2dnc s SER 6 CO -0.12 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2dnc n GLY 7 N 4.16 4.02 3.23 3.44 0.00 -1.26 -4.92 105.19 113.87 2dnc n GLY 7 Ca 0.11 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.38 3.30 -0.05 -0.61 1.01 -0.73 -4.94 121.20 117.79 2dnc s ILE 8 Ca 0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 60.65 59.30 2dnc s ILE 8 Cb -0.00 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 2dnc s ILE 8 CO 0.00 0.01 0.86 -1.59 0.00 0.00 0.00 174.94 174.23 2dnc s LYS 9 N 1.35 4.47 -0.33 2.79 -2.85 -1.26 -0.10 119.74 123.81 2dnc s LYS 9 Ca -0.01 1.18 -0.17 0.00 -1.00 0.00 0.00 55.97 55.97 2dnc s LYS 9 Cb -0.18 -3.48 -0.01 0.00 -2.06 0.00 0.00 37.83 32.10 2dnc s LYS 9 CO -0.01 -0.06 0.45 0.42 0.10 0.00 0.00 175.35 176.25 2dnc s ILE 10 N 1.15 5.09 -0.08 3.79 1.01 0.49 -4.99 121.20 127.67 2dnc s ILE 10 Ca 0.45 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2dnc s ILE 10 Cb -0.19 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2dnc s ILE 10 CO 0.22 -0.11 -0.06 -0.76 0.00 0.00 0.00 174.94 174.22 2dnc s LEU 11 N 2.23 3.21 -0.35 2.97 1.43 -1.26 -1.56 118.68 125.35 2dnc s LEU 11 Ca 0.16 -0.01 -0.39 0.00 -1.03 0.00 0.00 54.13 52.86 2dnc s LEU 11 Cb -0.16 -1.71 -0.15 0.00 0.03 0.00 0.00 46.19 44.21 2dnc s LEU 11 CO 0.12 0.35 1.99 0.80 0.23 0.00 0.00 176.35 179.84 2dnc n MET 12 N 2.31 0.88 -1.57 1.70 0.00 -0.88 -4.81 117.12 114.76 2dnc n MET 12 Ca -0.18 0.28 -0.31 0.00 -0.00 0.00 0.00 57.70 57.50 2dnc n MET 12 Cb 0.53 -2.11 0.05 0.00 0.00 0.00 0.00 33.22 31.69 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 5.01 2.84 -1.06 2.12 0.04 -1.26 -3.42 135.00 139.27 2dnc s PRO 13 Ca 1.07 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 2dnc s PRO 13 Cb -1.08 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 2dnc s PRO 13 CO 0.60 -1.16 2.89 0.43 0.04 0.00 0.00 177.00 179.80 2dnc n SER 14 N -3.17 7.57 -0.32 6.66 7.64 -1.26 -4.70 113.62 126.04 2dnc n SER 14 Ca 0.07 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2dnc n SER 14 Cb 0.54 -1.43 0.07 0.00 -1.01 0.00 0.00 64.21 62.38 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 5.75 -1.12-10.24 -3.43 3.38 -1.97 -3.39 115.31 104.29 2dnc h LEU 15 Ca 0.63 0.28 -0.49 0.00 0.09 0.00 0.00 57.88 58.38 2dnc h LEU 15 Cb 0.58 0.64 0.02 0.00 0.09 0.00 0.00 40.66 41.99 2dnc h LEU 15 CO 1.27 -0.30 0.20 -0.55 0.09 0.00 0.00 178.44 179.15 2dnc s SER 16 N -5.28 6.40 0.25 -0.43 0.15 -1.26 -4.99 113.70 108.54 2dnc s SER 16 Ca -0.14 1.16 0.11 0.00 0.70 0.00 0.00 55.95 57.78 2dnc s SER 16 Cb 0.21 -2.34 0.22 0.00 -1.71 0.00 0.00 66.02 62.40 2dnc s SER 16 CO 0.73 -0.56 1.52 1.55 1.20 0.00 0.00 173.24 177.69 2dnc h PRO 17 N 0.61 0.00 -1.84 5.44 0.13 -2.02 -3.35 132.00 130.98 2dnc h PRO 17 Ca -0.46 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.20 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 0.63 0.68 -1.16 0.25 -0.23 0.00 0.00 178.00 178.17 2dnc n THR 18 N -3.59 0.25 -4.28 1.56 -2.24 -1.26 -5.09 114.28 99.63 2dnc n THR 18 Ca -0.00 -4.39 -0.35 0.00 -2.27 0.00 0.00 64.05 57.03 2dnc n THR 18 Cb 0.70 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.62 3.29 -0.13 -0.78 0.00 -1.26 -4.99 119.30 112.80 2dnc s MET 19 Ca 0.38 -0.39 0.18 0.00 0.00 0.00 0.00 55.69 55.86 2dnc s MET 19 Cb 0.37 -2.91 -0.25 0.00 0.00 0.00 0.00 34.83 32.03 2dnc s MET 19 CO -0.06 0.57 0.27 0.39 0.00 0.00 0.00 175.02 176.18 2dnc n GLU 20 N 2.56 0.67 -3.86 4.11 -0.58 -1.26 -4.90 120.64 117.39 2dnc n GLU 20 Ca -0.18 0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.50 2dnc n GLU 20 Cb 0.53 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dnc s GLU 21 N -2.71 1.77 0.00 3.49 -1.05 -1.26 -3.17 118.70 115.77 2dnc s GLU 21 Ca -0.08 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 2dnc s GLU 21 Cb 0.08 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 2dnc s GLU 21 CO 0.84 -0.81 0.00 0.41 0.95 0.00 0.00 175.26 176.65 2dnc n GLY 22 N -0.46 4.25 3.03 -3.83 0.00 0.51 -4.71 105.19 103.98 2dnc n GLY 22 Ca -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.85 -0.41 -0.42 1.61 0.01 -1.08 0.19 114.94 113.99 2dnc s ASN 23 Ca 0.00 0.53 -0.28 0.00 -0.71 0.00 0.00 52.86 52.40 2dnc s ASN 23 Cb 0.00 1.54 -0.01 0.00 0.41 0.00 0.00 41.25 43.19 2dnc s ASN 23 CO 0.00 -0.28 1.75 -0.63 -1.51 0.00 0.00 177.10 176.43 2dnc s ILE 24 N 2.67 3.52 0.00 0.60 1.09 -1.15 0.06 121.20 127.99 2dnc s ILE 24 Ca 0.15 0.48 -0.24 0.00 -1.10 0.00 0.00 60.65 59.94 2dnc s ILE 24 Cb -0.15 -3.82 -0.13 0.00 -1.06 0.00 0.00 42.46 37.30 2dnc s ILE 24 CO -0.18 -0.60 1.00 0.58 -0.10 0.00 0.00 174.94 175.64 2dnc h VAL 25 N 6.77 0.01 -2.34 2.92 2.07 -0.82 -1.56 116.25 123.31 2dnc h VAL 25 Ca -0.31 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 2dnc h VAL 25 Cb 1.16 0.02 -0.22 0.00 -1.52 0.00 0.00 31.29 30.72 2dnc h VAL 25 CO 1.09 0.00 -0.04 -0.75 0.02 0.00 0.00 177.57 177.90 2dnc s LYS 26 N -4.37 0.68 0.10 1.57 2.20 -1.26 -3.92 119.74 114.74 2dnc s LYS 26 Ca -0.13 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 2dnc s LYS 26 Cb 0.01 0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 36.61 2dnc s LYS 26 CO 0.38 -0.08 1.08 -1.58 -0.36 0.00 0.00 175.35 174.79 2dnc s TRP 27 N 0.27 3.61 -1.52 4.03 0.52 -1.26 -2.27 118.94 122.31 2dnc s TRP 27 Ca -0.00 1.58 0.26 0.00 0.02 0.00 0.00 56.10 57.95 2dnc s TRP 27 Cb -0.04 -3.24 0.60 0.00 -1.15 0.00 0.00 33.47 29.63 2dnc s TRP 27 CO 0.01 -0.53 1.47 1.28 0.02 0.00 0.00 176.95 179.20 2dnc n LEU 28 N 3.11 0.93 -4.25 2.99 4.77 0.48 -4.89 117.00 120.15 2dnc n LEU 28 Ca 0.05 -0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 2dnc n LEU 28 Cb 0.48 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2dnc n LEU 28 CO 0.53 0.19 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.83 2dnc s LYS 29 N -2.67 1.06 0.33 3.23 -0.14 -1.02 -4.95 119.74 115.58 2dnc s LYS 29 Ca 0.19 -1.46 0.09 0.00 -1.36 0.00 0.00 55.97 53.44 2dnc s LYS 29 Cb 0.19 -0.61 -0.05 0.00 -1.68 0.00 0.00 37.83 35.67 2dnc s LYS 29 CO 0.59 0.07 -0.01 0.15 -0.76 0.00 0.00 175.35 175.38 2dnc s LYS 30 N -3.75 2.05 -0.08 1.68 -0.14 -1.26 -5.05 119.74 113.18 2dnc s LYS 30 Ca 0.17 -1.74 -0.30 0.00 -1.36 0.00 0.00 55.97 52.75 2dnc s LYS 30 Cb 0.03 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 2dnc s LYS 30 CO 0.01 0.17 1.51 -1.21 -0.76 0.00 0.00 175.35 175.06 2dnc s GLU 31 N -3.69 4.21 0.00 1.68 2.02 -1.26 -2.01 118.70 119.65 2dnc s GLU 31 Ca 0.34 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.34 2dnc s GLU 31 Cb -0.01 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.37 2dnc s GLU 31 CO 0.19 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2dnc n GLY 32 N 3.91 1.75 3.85 -1.39 0.00 0.97 -5.01 105.19 109.26 2dnc n GLY 32 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.57 3.81 0.74 1.61 0.41 -0.85 -4.67 118.70 119.18 2dnc s GLU 33 Ca 0.00 0.91 -0.11 0.00 -0.41 0.00 0.00 54.97 55.36 2dnc s GLU 33 Cb 0.00 -2.11 0.04 0.00 -1.78 0.00 0.00 34.13 30.27 2dnc s GLU 33 CO 0.00 -0.39 1.10 0.00 -0.49 0.00 0.00 175.26 175.48 2dnc s ALA 34 N -2.78 2.66 -0.01 5.21 0.00 -1.26 0.36 121.76 125.94 2dnc s ALA 34 Ca 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 2dnc s ALA 34 Cb -0.11 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 2dnc s ALA 34 CO 0.38 -1.37 0.06 0.08 0.00 0.00 0.00 175.76 174.91 2dnc s VAL 35 N -3.30 0.04 -0.03 0.00 1.01 0.50 -4.73 120.40 113.90 2dnc s VAL 35 Ca 0.59 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2dnc s VAL 35 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2dnc s VAL 35 CO 0.53 -0.20 -0.12 -0.44 0.00 0.00 0.00 175.10 174.87 2dnc s SER 36 N -0.60 1.50 0.14 3.32 0.01 -1.26 -1.28 113.70 115.52 2dnc s SER 36 Ca -0.07 -0.24 -0.35 0.00 1.31 0.00 0.00 55.95 56.61 2dnc s SER 36 Cb -0.04 -0.39 -0.15 0.00 0.21 0.00 0.00 66.02 65.65 2dnc s SER 36 CO 0.00 0.10 1.51 0.00 0.41 0.00 0.00 173.24 175.26 2dnc n ALA 37 N 3.22 0.77 0.00 1.44 0.00 -1.21 -1.05 120.51 123.67 2dnc n ALA 37 Ca -0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2dnc n ALA 37 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 3.16 3.11 3.65 0.00 0.00 0.21 -4.91 105.19 110.41 2dnc n GLY 38 Ca 0.17 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 0.90 0.84 -4.72 1.61 9.92 -0.22 -4.39 116.55 120.48 2dnc n ASP 39 Ca 0.00 0.67 -0.41 0.00 -0.53 0.00 0.00 54.79 54.52 2dnc n ASP 39 Cb 0.00 -1.45 -0.04 0.00 -0.64 0.00 0.00 41.12 38.98 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 -1.84 3.25 -0.21 2.24 0.00 -1.26 -0.34 121.76 123.59 2dnc s ALA 40 Ca 0.75 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 2dnc s ALA 40 Cb -0.33 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2dnc s ALA 40 CO 0.49 -0.08 -0.29 1.28 0.00 0.00 0.00 175.76 177.16 2dnc n LEU 41 N 3.21 1.93 -3.90 0.00 4.77 0.21 -4.69 117.00 118.52 2dnc n LEU 41 Ca 0.02 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 2dnc n LEU 41 Cb 0.50 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 2dnc n LEU 41 CO 0.50 0.05 0.15 0.00 -1.33 0.00 0.00 177.39 176.76 2dnc s GLU 43 N -3.95 3.53 -0.17 0.00 2.02 -0.96 0.12 118.70 119.28 2dnc s GLU 43 Ca 0.16 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.56 2dnc s GLU 43 Cb 0.00 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 2dnc s GLU 43 CO 0.02 -0.56 0.44 0.42 0.02 0.00 0.00 175.26 175.61 2dnc s ILE 44 N 2.04 5.19 -0.01 -1.63 -1.09 0.23 -0.12 121.20 125.81 2dnc s ILE 44 Ca 0.12 0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 59.16 2dnc s ILE 44 Cb -0.17 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 2dnc s ILE 44 CO 0.12 0.27 0.60 -0.70 -1.23 0.00 0.00 174.94 174.00 2dnc s GLU 45 N 1.10 4.33 0.01 2.79 2.12 0.11 -1.76 118.70 127.39 2dnc s GLU 45 Ca 0.22 0.74 -0.07 0.00 0.36 0.00 0.00 54.97 56.22 2dnc s GLU 45 Cb -0.15 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 2dnc s GLU 45 CO 0.09 0.34 0.12 0.95 -0.54 0.00 0.00 175.26 176.22 2dnc s THR 46 N -0.10 0.09 0.24 -1.70 -4.23 -1.05 -2.65 115.64 106.24 2dnc s THR 46 Ca 0.31 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2dnc s THR 46 Cb -0.18 -0.48 0.20 0.00 1.34 0.00 0.00 72.50 73.38 2dnc s THR 46 CO 0.17 -0.42 1.79 0.44 -0.54 0.00 0.00 174.62 176.07 2dnc h ASP 47 N 4.22 0.56 0.11 3.99 5.19 -1.97 -2.15 116.42 126.37 2dnc h ASP 47 Ca -0.31 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.17 2dnc h ASP 47 Cb 1.19 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 2dnc h ASP 47 CO 0.42 0.31 -0.52 0.11 -3.12 0.00 0.00 179.24 176.44 2dnc h LYS 48 N 0.69 -0.71 0.00 3.56 1.79 -1.99 -3.47 116.57 116.43 2dnc h LYS 48 Ca 0.38 0.05 0.10 0.00 -2.18 0.00 0.00 60.65 59.00 2dnc h LYS 48 Cb 0.39 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2dnc h LYS 48 CO -0.27 -0.48 0.29 0.00 -1.08 0.00 0.00 179.45 177.92 2dnc n ALA 49 N -2.93 -1.20 -2.67 3.86 0.00 -0.81 -5.10 120.51 111.67 2dnc n ALA 49 Ca -0.08 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2dnc n ALA 49 Cb 0.41 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.21 4.45 0.22 0.00 0.11 -1.26 -2.53 120.40 119.18 2dnc s VAL 50 Ca 0.10 0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 2dnc s VAL 50 Cb -0.01 -4.51 -0.04 0.00 -1.53 0.00 0.00 36.38 30.29 2dnc s VAL 50 CO 0.01 -1.08 0.05 0.68 -3.33 0.00 0.00 175.10 171.43 2dnc s VAL 51 N 3.79 3.84 0.09 2.04 -7.23 -0.72 -5.00 120.40 117.20 2dnc s VAL 51 Ca 0.28 -1.54 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 2dnc s VAL 51 Cb -0.13 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 2dnc s VAL 51 CO 0.18 -0.24 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.73 2dnc s THR 52 N -1.99 3.25 -0.42 5.32 2.01 -1.26 0.75 115.64 123.29 2dnc s THR 52 Ca 0.30 -1.24 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 2dnc s THR 52 Cb -0.08 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2dnc s THR 52 CO 0.21 0.17 0.66 -0.22 -0.69 0.00 0.00 174.62 174.75 2dnc s LEU 53 N -2.01 4.42 0.25 4.42 0.20 0.32 -4.78 118.68 121.50 2dnc s LEU 53 Ca 0.20 -0.22 -0.12 0.00 0.69 0.00 0.00 54.13 54.68 2dnc s LEU 53 Cb -0.11 -2.77 -0.08 0.00 -0.43 0.00 0.00 46.19 42.80 2dnc s LEU 53 CO 0.11 -0.77 0.62 1.51 -0.29 0.00 0.00 176.35 177.54 2dnc s ASP 54 N 1.98 6.70 0.15 3.68 1.47 -1.26 0.65 116.67 130.04 2dnc s ASP 54 Ca 0.24 1.07 -0.30 0.00 1.18 0.00 0.00 52.55 54.74 2dnc s ASP 54 Cb -0.14 -2.29 -0.07 0.00 -0.34 0.00 0.00 42.92 40.08 2dnc s ASP 54 CO 0.19 -0.10 1.16 0.00 0.68 0.00 0.00 175.17 177.10 2dnc s ALA 55 N -1.84 3.40 -0.18 2.11 0.00 0.54 -4.82 121.76 120.97 2dnc s ALA 55 Ca 0.49 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.52 2dnc s ALA 55 Cb -0.11 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2dnc s ALA 55 CO 0.20 -0.33 0.95 1.03 0.00 0.00 0.00 175.76 177.61 2dnc h SER 56 N 5.63 0.00 -5.49 0.00 0.87 -1.91 0.60 113.55 113.25 2dnc h SER 56 Ca -0.44 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.92 2dnc h SER 56 Cb 1.21 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.02 2dnc h SER 56 CO 0.76 0.27 -0.62 -1.81 -0.53 0.00 0.00 176.83 174.90 2dnc s ASP 57 N -5.58 0.23 -0.22 6.23 1.01 -1.26 -4.78 116.67 112.29 2dnc s ASP 57 Ca -0.01 -1.27 -0.09 0.00 0.71 0.00 0.00 52.55 51.88 2dnc s ASP 57 Cb 0.09 0.34 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 2dnc s ASP 57 CO 0.80 -0.79 0.11 1.51 0.21 0.00 0.00 175.17 177.01 2dnc s ASP 58 N -3.09 5.74 0.12 0.27 1.47 -1.26 -3.35 116.67 116.56 2dnc s ASP 58 Ca 0.30 0.03 -0.22 0.00 1.18 0.00 0.00 52.55 53.84 2dnc s ASP 58 Cb 0.07 -2.02 0.08 0.00 -0.34 0.00 0.00 42.92 40.71 2dnc s ASP 58 CO 0.06 0.07 1.02 0.61 0.68 0.00 0.00 175.17 177.62 2dnc n GLY 59 N 4.22 0.53 3.78 2.12 0.00 -0.41 -4.79 105.19 110.65 2dnc n GLY 59 Ca -0.16 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.08 5.31 -0.87 -0.61 -1.09 0.64 0.19 121.20 122.70 2dnc s ILE 60 Ca 0.23 0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 58.88 2dnc s ILE 60 Cb -0.02 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 37.17 2dnc s ILE 60 CO 0.03 0.48 2.22 -0.22 -1.23 0.00 0.00 174.94 176.23 2dnc s LEU 61 N -0.18 2.93 0.05 2.97 0.20 0.16 -0.46 118.68 124.35 2dnc s LEU 61 Ca 0.16 -0.34 -0.15 0.00 0.69 0.00 0.00 54.13 54.50 2dnc s LEU 61 Cb -0.13 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.01 2dnc s LEU 61 CO 0.05 -3.55 1.24 0.00 -0.29 0.00 0.00 176.35 173.79 2dnc h ALA 62 N 12.02 -0.69 -2.93 5.97 0.00 -1.24 0.28 119.26 132.65 2dnc h ALA 62 Ca 0.04 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2dnc h ALA 62 Cb 1.00 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 2dnc h ALA 62 CO 1.08 -0.76 -0.03 -1.59 0.00 0.00 0.00 179.25 177.95 2dnc s LYS 63 N -4.18 1.94 -0.26 0.00 -2.85 -1.16 -4.37 119.74 108.86 2dnc s LYS 63 Ca -0.07 -1.55 0.01 0.00 -1.00 0.00 0.00 55.97 53.36 2dnc s LYS 63 Cb 0.03 0.51 0.07 0.00 -2.06 0.00 0.00 37.83 36.38 2dnc s LYS 63 CO 0.26 -0.84 -0.00 0.42 0.10 0.00 0.00 175.35 175.29 2dnc s ILE 64 N -3.04 1.47 0.01 3.79 1.01 -1.26 -2.05 121.20 121.13 2dnc s ILE 64 Ca 0.24 -1.39 -0.25 0.00 0.00 0.00 0.00 60.65 59.25 2dnc s ILE 64 Cb -0.02 -1.87 -0.18 0.00 0.01 0.00 0.00 42.46 40.41 2dnc s ILE 64 CO 0.15 -0.29 1.34 0.58 0.00 0.00 0.00 174.94 176.72 2dnc h VAL 65 N 6.62 0.99 -3.63 2.92 2.07 0.36 -3.40 116.25 122.18 2dnc h VAL 65 Ca -0.15 -0.68 -0.70 0.00 0.82 0.00 0.00 66.70 65.99 2dnc h VAL 65 Cb 1.06 1.41 -0.26 0.00 -1.52 0.00 0.00 31.29 31.97 2dnc h VAL 65 CO 0.44 0.16 -0.57 -0.69 0.02 0.00 0.00 177.57 176.92 2dnc s VAL 66 N -4.80 4.17 0.70 2.57 1.01 -0.29 -4.95 120.40 118.81 2dnc s VAL 66 Ca -0.15 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 2dnc s VAL 66 Cb 0.03 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.13 2dnc s VAL 66 CO 0.61 -0.14 1.07 -1.61 0.00 0.00 0.00 175.10 175.03 2dnc s GLU 67 N 1.49 2.69 0.56 2.72 8.01 -1.26 -4.84 118.70 128.07 2dnc s GLU 67 Ca 0.01 0.27 -0.20 0.00 0.01 0.00 0.00 54.97 55.06 2dnc s GLU 67 Cb -0.19 -2.07 -0.04 0.00 -4.31 0.00 0.00 34.13 27.52 2dnc s GLU 67 CO 0.04 -1.07 1.26 -1.83 0.01 0.00 0.00 175.26 173.67 2dnc s GLU 68 N -5.31 3.11 0.00 1.61 1.03 -1.26 -3.36 118.70 114.52 2dnc s GLU 68 Ca 0.58 1.97 0.00 0.00 0.03 0.00 0.00 54.97 57.55 2dnc s GLU 68 Cb -0.11 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.12 2dnc s GLU 68 CO 0.50 -1.13 0.00 0.41 -1.33 0.00 0.00 175.26 173.71 2dnc n GLY 69 N 0.61 2.39 3.77 -3.83 0.00 -0.58 -5.02 105.19 102.53 2dnc n GLY 69 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.57 6.55 0.14 1.61 0.15 -1.21 -4.97 113.70 114.39 2dnc s SER 70 Ca 0.00 2.28 0.08 0.00 0.70 0.00 0.00 55.95 59.01 2dnc s SER 70 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2dnc s SER 70 CO 0.00 -0.65 -0.19 -1.59 1.20 0.00 0.00 173.24 172.01 2dnc s LYS 71 N -2.36 1.21 -0.57 5.44 0.00 -1.26 -2.94 119.74 119.26 2dnc s LYS 71 Ca 0.58 -1.31 -0.07 0.00 0.00 0.00 0.00 55.97 55.16 2dnc s LYS 71 Cb -0.29 -1.34 0.01 0.00 0.00 0.00 0.00 37.83 36.21 2dnc s LYS 71 CO 0.36 0.29 0.62 0.09 0.00 0.00 0.00 175.35 176.71 2dnc n ASN 72 N 0.60 -7.59 -4.15 0.03 4.13 -0.40 -4.96 115.26 102.91 2dnc n ASN 72 Ca -0.16 0.20 -0.39 0.00 1.68 0.00 0.00 54.58 55.92 2dnc n ASN 72 Cb 0.56 -5.14 -0.07 0.00 -1.54 0.00 0.00 39.78 33.58 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 -2.78 4.26 1.10 2.41 -1.09 0.52 -4.78 121.20 120.83 2dnc s ILE 73 Ca 0.11 -2.98 -0.19 0.00 -2.23 0.00 0.00 60.65 55.36 2dnc s ILE 73 Cb -0.03 -3.71 0.08 0.00 -1.58 0.00 0.00 42.46 37.22 2dnc s ILE 73 CO 0.72 -0.94 -0.14 -2.11 -1.23 0.00 0.00 174.94 171.24 2dnc n ARG 74 N 3.43 -1.57 -2.22 2.79 1.85 -1.26 -0.36 116.66 119.32 2dnc n ARG 74 Ca 0.11 -0.45 -0.32 0.00 -1.00 0.00 0.00 57.85 56.20 2dnc n ARG 74 Cb 0.40 -1.59 -0.02 0.00 -1.05 0.00 0.00 32.46 30.20 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 -0.12 3.48 -0.69 2.89 1.43 -1.19 -4.06 118.68 120.42 2dnc s LEU 75 Ca 0.51 1.48 -0.04 0.00 -1.03 0.00 0.00 54.13 55.05 2dnc s LEU 75 Cb -0.08 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2dnc s LEU 75 CO 0.62 -0.69 0.60 0.61 0.23 0.00 0.00 176.35 177.72 2dnc n GLY 76 N -2.03 0.18 3.19 -3.19 0.00 -1.22 -4.92 105.19 97.20 2dnc n GLY 76 Ca 0.06 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.19 2.98 -0.10 1.61 0.01 -1.26 -4.87 113.70 108.89 2dnc s SER 77 Ca 0.29 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2dnc s SER 77 Cb -0.13 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 2dnc s SER 77 CO 0.37 0.13 1.45 -0.76 0.41 0.00 0.00 173.24 174.84 2dnc s LEU 78 N 0.48 4.26 -0.01 2.44 1.43 -1.26 -2.08 118.68 123.94 2dnc s LEU 78 Ca -0.16 1.97 0.10 0.00 -1.03 0.00 0.00 54.13 55.01 2dnc s LEU 78 Cb -0.17 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.36 2dnc s LEU 78 CO 0.06 -0.83 0.24 2.30 0.23 0.00 0.00 176.35 178.35 2dnc n ILE 79 N 5.36 0.00 0.00 -0.59 -5.35 -0.60 -3.93 119.36 114.25 2dnc n ILE 79 Ca 0.15 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2dnc n ILE 79 Cb 0.44 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 2dnc n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dnc n GLY 80 N 1.87 1.04 3.57 3.28 0.00 -1.25 0.98 105.19 114.67 2dnc n GLY 80 Ca -0.02 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 2dnc n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dnc s LEU 81 N 0.00 2.94 0.18 0.99 0.20 -0.87 -0.38 118.68 121.74 2dnc s LEU 81 Ca 0.00 -0.71 0.11 0.00 0.69 0.00 0.00 54.13 54.22 2dnc s LEU 81 Cb 0.00 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 2dnc s LEU 81 CO 0.00 0.06 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.27 2dnc s ILE 82 N -2.08 2.53 -0.02 6.68 1.01 0.85 -0.76 121.20 129.40 2dnc s ILE 82 Ca 0.28 -1.90 0.01 0.00 0.00 0.00 0.00 60.65 59.04 2dnc s ILE 82 Cb -0.07 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.21 2dnc s ILE 82 CO 0.16 -0.08 -0.04 0.68 0.00 0.00 0.00 174.94 175.67 2dnc s VAL 83 N -1.57 0.40 -0.10 2.92 -7.23 0.40 -1.78 120.40 113.45 2dnc s VAL 83 Ca 0.20 -0.11 -0.39 0.00 -1.81 0.00 0.00 61.98 59.87 2dnc s VAL 83 Cb -0.08 -0.41 -0.17 0.00 0.56 0.00 0.00 36.38 36.28 2dnc s VAL 83 CO 0.10 0.16 1.50 -0.62 -0.31 0.00 0.00 175.10 175.94 2dnc n GLU 84 N 3.63 1.02 -1.47 4.82 1.02 -1.26 -0.26 120.64 128.14 2dnc n GLU 84 Ca -0.21 0.37 -0.57 0.00 -0.02 0.00 0.00 57.16 56.72 2dnc n GLU 84 Cb 0.53 -2.01 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 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 3.68 0.00 0.00 3.49 1.02 -1.26 -1.07 120.64 126.50 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 0.15 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 2.03 2.93 3.24 0.62 0.00 -1.26 -5.04 105.19 107.71 2dnc n GLY 86 Ca 0.21 -0.78 -0.48 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.84 1.61 -0.58 -0.23 -4.65 120.64 114.95 2dnc n GLU 87 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 2dnc n GLU 87 Cb 0.00 -1.08 -0.06 0.00 -0.57 0.00 0.00 31.44 29.73 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 -0.68 4.58 0.13 1.62 1.01 -1.26 -4.75 116.67 117.31 2dnc s ASP 88 Ca 0.68 -0.41 -0.20 0.00 0.71 0.00 0.00 52.55 53.34 2dnc s ASP 88 Cb -0.97 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 40.36 2dnc s ASP 88 CO 0.53 -3.27 1.73 4.11 0.21 0.00 0.00 175.17 178.49 2dnc h TRP 89 N 11.83 0.05 0.12 4.23 5.08 -1.94 -2.82 115.95 132.51 2dnc h TRP 89 Ca 0.06 0.01 0.01 0.00 1.08 0.00 0.00 58.89 60.05 2dnc h TRP 89 Cb 1.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.13 2dnc h TRP 89 CO 1.19 0.01 -0.40 -0.22 -1.28 0.00 0.00 178.44 177.74 2dnc h LYS 90 N 0.11 -0.58 -0.67 0.12 3.64 -1.87 -3.45 116.57 113.87 2dnc h LYS 90 Ca 0.09 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.72 2dnc h LYS 90 Cb 0.09 0.13 -0.27 0.00 -0.41 0.00 0.00 32.23 31.77 2dnc h LYS 90 CO -0.12 -0.38 0.42 -1.58 -2.27 0.00 0.00 179.45 175.51 2dnc s HIS 91 N -5.10 -0.36 0.21 1.91 5.04 -1.07 -5.16 115.29 110.75 2dnc s HIS 91 Ca -0.13 0.63 -0.13 0.00 -1.54 0.00 0.00 55.06 53.90 2dnc s HIS 91 Cb 0.04 0.21 -0.07 0.00 0.04 0.00 0.00 32.58 32.81 2dnc s HIS 91 CO 0.46 -0.18 0.58 0.54 -2.34 0.00 0.00 174.74 173.80 2dnc s VAL 92 N 2.07 4.86 0.00 0.89 0.11 -1.20 -4.84 120.40 122.29 2dnc s VAL 92 Ca -0.02 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 2dnc s VAL 92 Cb -0.03 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2dnc s VAL 92 CO -0.16 0.06 0.00 -0.24 -3.33 0.00 0.00 175.10 171.43 2dnc n SER 93 N 0.26 0.00 0.00 3.54 2.88 -1.26 -5.01 113.62 114.03 2dnc n SER 93 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2dnc n SER 93 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.02 0.22 0.11 0.46 0.00 -1.26 -4.95 105.19 99.76 2dnc n GLY 94 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 2dnc n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc h PRO 95 N 0.00 0.27 -6.11 1.61 0.13 -2.03 -3.45 132.00 122.41 2dnc h PRO 95 Ca 0.00 -0.26 -0.64 0.00 -0.87 0.00 0.00 66.00 64.23 2dnc h PRO 95 Cb 0.00 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.11 2dnc h PRO 95 CO 0.00 0.95 -0.58 -1.12 -0.23 0.00 0.00 178.00 177.02 2dnc s SER 96 N -6.42 5.68 -0.29 1.44 0.01 -1.26 -4.78 113.70 108.07 2dnc s SER 96 Ca -0.15 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.12 2dnc s SER 96 Cb 0.02 -1.58 0.01 0.00 0.21 0.00 0.00 66.02 64.68 2dnc s SER 96 CO 0.77 0.19 0.20 -1.20 0.41 0.00 0.00 173.24 173.60 2dnc n SER 97 N 0.55 -6.96 0.00 2.44 7.64 -1.26 -4.83 113.62 111.20 2dnc n SER 97 Ca -0.09 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.69 2dnc n SER 97 Cb 0.52 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64