#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 -8.44 -2.76 1.61 2.88 -1.26 -5.07 113.62 100.58 2dnc n SER 2 Ca 0.00 1.51 0.02 0.00 -1.33 0.00 0.00 58.87 59.07 2dnc n SER 2 Cb 0.00 -4.62 0.01 0.00 -0.75 0.00 0.00 64.21 58.85 2dnc n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnc s SER 3 N -0.50 -0.20 -0.36 -3.46 0.15 -1.26 -5.13 113.70 102.94 2dnc s SER 3 Ca 0.00 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 2dnc s SER 3 Cb 0.00 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 2dnc s SER 3 CO 0.00 -0.02 0.21 -0.83 1.20 0.00 0.00 173.24 173.80 2dnc s GLY 4 N 2.06 1.93 -0.15 9.45 0.00 -1.26 -4.95 107.32 114.40 2dnc s GLY 4 Ca 0.16 -1.59 -0.12 0.00 0.00 0.00 0.00 44.72 43.17 2dnc s GLY 4 CO -0.16 0.81 -0.19 1.44 0.00 0.00 0.00 173.10 175.00 2dnc n SER 5 N 5.04 1.84 -3.79 1.64 7.64 -1.26 -5.08 113.62 119.65 2dnc n SER 5 Ca -0.12 0.56 -0.05 0.00 1.01 0.00 0.00 58.87 60.28 2dnc n SER 5 Cb 0.47 -0.85 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 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 -5.85 -0.20 0.00 6.43 1.04 -1.26 -5.17 113.70 108.68 2dnc s SER 6 Ca -0.19 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2dnc s SER 6 Cb 0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2dnc s SER 6 CO 0.28 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2dnc n GLY 7 N -0.47 1.81 3.40 7.32 0.00 -1.26 -4.96 105.19 111.02 2dnc n GLY 7 Ca -0.05 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.96 4.74 -0.15 -0.61 1.01 0.20 -4.93 121.20 119.51 2dnc s ILE 8 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.58 2dnc s ILE 8 Cb 0.00 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2dnc s ILE 8 CO 0.00 -0.24 0.93 -1.59 0.00 0.00 0.00 174.94 174.05 2dnc s LYS 9 N 1.59 4.35 -0.58 2.79 -2.85 -1.26 0.97 119.74 124.74 2dnc s LYS 9 Ca 0.03 1.23 -0.24 0.00 -1.00 0.00 0.00 55.97 55.98 2dnc s LYS 9 Cb -0.19 -3.57 0.04 0.00 -2.06 0.00 0.00 37.83 32.06 2dnc s LYS 9 CO 0.07 -0.35 0.99 0.42 0.10 0.00 0.00 175.35 176.58 2dnc s ILE 10 N 2.19 4.30 -0.11 3.79 1.01 0.25 -4.97 121.20 127.67 2dnc s ILE 10 Ca 0.44 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 61.22 2dnc s ILE 10 Cb -0.17 -4.60 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 2dnc s ILE 10 CO 0.14 -1.24 0.19 -0.76 0.00 0.00 0.00 174.94 173.27 2dnc s LEU 11 N 4.16 4.37 -0.26 2.97 1.43 -1.26 -0.81 118.68 129.28 2dnc s LEU 11 Ca 0.30 0.52 -0.38 0.00 -1.03 0.00 0.00 54.13 53.54 2dnc s LEU 11 Cb -0.13 -2.17 -0.14 0.00 0.03 0.00 0.00 46.19 43.78 2dnc s LEU 11 CO 0.18 0.35 1.87 0.80 0.23 0.00 0.00 176.35 179.77 2dnc n MET 12 N 2.27 1.32 -1.54 1.70 0.00 -0.67 -4.79 117.12 115.41 2dnc n MET 12 Ca -0.18 0.47 -0.29 0.00 -0.00 0.00 0.00 57.70 57.70 2dnc n MET 12 Cb 0.54 -2.27 0.15 0.00 0.00 0.00 0.00 33.22 31.64 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 4.24 0.83 -0.98 2.12 0.04 -1.26 -3.14 135.00 136.84 2dnc s PRO 13 Ca 1.00 0.16 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 2dnc s PRO 13 Cb -0.96 -1.81 0.33 0.00 0.04 0.00 0.00 34.50 32.09 2dnc s PRO 13 CO 0.60 -2.39 1.83 0.43 0.04 0.00 0.00 177.00 177.52 2dnc n SER 14 N -3.87 7.30 -0.35 6.66 7.64 -1.26 -4.82 113.62 124.91 2dnc n SER 14 Ca 0.08 -3.72 -0.08 0.00 1.01 0.00 0.00 58.87 56.17 2dnc n SER 14 Cb 0.59 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.61 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 3.95 -1.83-10.37 -3.43 3.38 -1.96 -3.40 115.31 101.65 2dnc h LEU 15 Ca 0.53 0.30 -0.51 0.00 0.09 0.00 0.00 57.88 58.30 2dnc h LEU 15 Cb 0.28 0.84 0.08 0.00 0.09 0.00 0.00 40.66 41.95 2dnc h LEU 15 CO 1.21 -0.28 0.40 -0.44 0.09 0.00 0.00 178.44 179.42 2dnc s SER 16 N -5.37 5.71 0.45 -0.43 0.01 -1.26 -4.96 113.70 107.85 2dnc s SER 16 Ca -0.13 1.43 0.28 0.00 1.31 0.00 0.00 55.95 58.84 2dnc s SER 16 Cb 0.14 -2.37 0.88 0.00 0.21 0.00 0.00 66.02 64.88 2dnc s SER 16 CO 0.65 -1.20 1.79 1.55 0.41 0.00 0.00 173.24 176.44 2dnc h PRO 17 N -0.55 0.00 -1.12 12.44 0.13 -2.03 -3.35 132.00 137.52 2dnc h PRO 17 Ca -0.44 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.30 2dnc h PRO 17 Cb 1.21 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.06 2dnc h PRO 17 CO 0.60 0.00 -0.85 0.25 -0.23 0.00 0.00 178.00 177.77 2dnc n THR 18 N -2.93 -0.22 -4.46 1.56 -2.24 -1.26 -5.12 114.28 99.61 2dnc n THR 18 Ca 0.03 -3.10 -0.33 0.00 -2.27 0.00 0.00 64.05 58.37 2dnc n THR 18 Cb 0.40 0.13 -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 -0.88 2.76 -0.07 -0.78 0.00 -1.26 -5.00 119.30 114.08 2dnc s MET 19 Ca 0.33 -0.57 0.08 0.00 0.00 0.00 0.00 55.69 55.53 2dnc s MET 19 Cb 0.27 -2.63 -0.11 0.00 0.00 0.00 0.00 34.83 32.36 2dnc s MET 19 CO -0.11 0.65 0.07 -1.91 0.00 0.00 0.00 175.02 173.72 2dnc n GLU 20 N 1.88 2.13 -3.82 4.11 2.13 -1.26 -4.91 120.64 120.89 2dnc n GLU 20 Ca -0.17 -0.02 -0.09 0.00 0.66 0.00 0.00 57.16 57.54 2dnc n GLU 20 Cb 0.53 -1.22 -0.04 0.00 0.27 0.00 0.00 31.44 30.98 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2dnc s GLU 21 N -2.29 1.46 0.00 5.31 4.04 -1.26 0.43 118.70 126.39 2dnc s GLU 21 Ca -0.04 -0.98 0.00 0.00 0.04 0.00 0.00 54.97 53.99 2dnc s GLU 21 Cb 0.03 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.70 2dnc s GLU 21 CO 0.35 -0.62 0.00 0.41 -1.84 0.00 0.00 175.26 173.56 2dnc n GLY 22 N -0.36 4.61 3.00 -3.83 0.00 -0.95 -4.77 105.19 102.89 2dnc n GLY 22 Ca -0.07 -1.61 -0.05 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 -0.18 -0.31 -0.26 1.61 0.01 -1.21 -0.15 114.94 114.43 2dnc s ASN 23 Ca 0.00 0.46 -0.29 0.00 -0.71 0.00 0.00 52.86 52.32 2dnc s ASN 23 Cb 0.00 1.47 -0.02 0.00 0.41 0.00 0.00 41.25 43.11 2dnc s ASN 23 CO 0.00 -0.28 1.68 -0.63 -1.51 0.00 0.00 177.10 176.35 2dnc s ILE 24 N 2.65 3.61 -0.06 0.60 1.09 -0.68 -0.68 121.20 127.73 2dnc s ILE 24 Ca 0.15 0.67 -0.16 0.00 -1.10 0.00 0.00 60.65 60.21 2dnc s ILE 24 Cb -0.15 -3.70 -0.11 0.00 -1.06 0.00 0.00 42.46 37.44 2dnc s ILE 24 CO -0.17 -0.35 0.65 0.58 -0.10 0.00 0.00 174.94 175.54 2dnc h VAL 25 N 6.39 0.50 -2.35 2.92 2.07 -0.78 0.12 116.25 125.12 2dnc h VAL 25 Ca -0.34 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 2dnc h VAL 25 Cb 1.16 0.87 -0.22 0.00 -1.52 0.00 0.00 31.29 31.57 2dnc h VAL 25 CO 1.01 0.14 -0.04 -0.75 0.02 0.00 0.00 177.57 177.95 2dnc s LYS 26 N -3.01 0.67 -0.09 1.57 2.20 -1.26 -3.61 119.74 116.21 2dnc s LYS 26 Ca -0.09 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2dnc s LYS 26 Cb 0.00 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2dnc s LYS 26 CO 0.34 -0.08 1.00 -1.58 -0.36 0.00 0.00 175.35 174.67 2dnc s TRP 27 N 0.31 3.54 -1.57 4.03 0.52 -1.26 -1.78 118.94 122.73 2dnc s TRP 27 Ca -0.00 1.61 0.29 0.00 0.02 0.00 0.00 56.10 58.02 2dnc s TRP 27 Cb -0.04 -3.18 1.34 0.00 -1.15 0.00 0.00 33.47 30.44 2dnc s TRP 27 CO 0.01 -0.19 1.93 1.28 0.02 0.00 0.00 176.95 180.00 2dnc n LEU 28 N 4.81 0.29 -4.23 2.99 4.77 0.48 -4.81 117.00 121.31 2dnc n LEU 28 Ca 0.08 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 2dnc n LEU 28 Cb 0.49 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2dnc n LEU 28 CO 0.52 0.06 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.67 2dnc s LYS 29 N -2.50 0.99 0.31 3.23 -0.14 -0.93 -4.94 119.74 115.75 2dnc s LYS 29 Ca 0.29 -1.31 0.09 0.00 -1.36 0.00 0.00 55.97 53.68 2dnc s LYS 29 Cb 0.20 -0.66 -0.05 0.00 -1.68 0.00 0.00 37.83 35.65 2dnc s LYS 29 CO 0.47 0.10 0.04 0.15 -0.76 0.00 0.00 175.35 175.35 2dnc s LYS 30 N -3.21 2.24 -0.19 1.68 -0.14 -1.26 -5.05 119.74 113.82 2dnc s LYS 30 Ca 0.11 -1.55 -0.29 0.00 -1.36 0.00 0.00 55.97 52.88 2dnc s LYS 30 Cb -0.01 -2.09 -0.03 0.00 -1.68 0.00 0.00 37.83 34.02 2dnc s LYS 30 CO 0.01 0.23 1.64 -1.21 -0.76 0.00 0.00 175.35 175.26 2dnc s GLU 31 N -3.73 3.84 0.00 1.68 2.02 -1.26 -1.72 118.70 119.52 2dnc s GLU 31 Ca 0.34 1.76 0.00 0.00 0.02 0.00 0.00 54.97 57.09 2dnc s GLU 31 Cb -0.04 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 30.16 2dnc s GLU 31 CO 0.20 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.65 2dnc n GLY 32 N 4.61 1.03 3.85 -1.39 0.00 0.14 -5.01 105.19 108.42 2dnc n GLY 32 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2dnc n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 33 N -0.41 3.92 0.79 1.61 0.41 -0.70 -4.63 118.70 119.69 2dnc s GLU 33 Ca 0.00 0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 55.21 2dnc s GLU 33 Cb 0.00 -2.26 0.07 0.00 -1.78 0.00 0.00 34.13 30.15 2dnc s GLU 33 CO 0.00 -0.12 1.10 0.00 -0.49 0.00 0.00 175.26 175.75 2dnc s ALA 34 N -2.42 2.29 -0.01 5.21 0.00 -1.26 0.67 121.76 126.24 2dnc s ALA 34 Ca 0.56 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 2dnc s ALA 34 Cb -0.10 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 2dnc s ALA 34 CO 0.28 -1.70 0.06 0.08 0.00 0.00 0.00 175.76 174.48 2dnc s VAL 35 N -3.18 0.05 -0.01 0.00 1.01 0.50 -4.74 120.40 114.03 2dnc s VAL 35 Ca 0.61 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2dnc s VAL 35 Cb -0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 2dnc s VAL 35 CO 0.54 -0.24 -0.07 -0.44 0.00 0.00 0.00 175.10 174.89 2dnc s SER 36 N -0.75 0.90 0.18 3.32 0.01 -1.26 -1.24 113.70 114.86 2dnc s SER 36 Ca -0.08 -0.14 -0.33 0.00 1.31 0.00 0.00 55.95 56.71 2dnc s SER 36 Cb -0.05 -0.16 -0.14 0.00 0.21 0.00 0.00 66.02 65.87 2dnc s SER 36 CO 0.00 0.07 1.42 0.00 0.41 0.00 0.00 173.24 175.14 2dnc n ALA 37 N 3.08 0.63 0.00 1.44 0.00 -1.23 -0.89 120.51 123.54 2dnc n ALA 37 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2dnc n ALA 37 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2dnc n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dnc n GLY 38 N 2.63 2.96 3.76 0.00 0.00 -0.67 -4.89 105.19 108.97 2dnc n GLY 38 Ca 0.15 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2dnc n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnc s ASP 39 N 0.17 6.49 0.24 1.61 1.11 -0.07 -4.41 116.67 121.81 2dnc s ASP 39 Ca 0.00 2.86 -0.30 0.00 0.18 0.00 0.00 52.55 55.29 2dnc s ASP 39 Cb 0.00 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 2dnc s ASP 39 CO 0.00 -0.80 1.45 0.00 1.18 0.00 0.00 175.17 177.00 2dnc s ALA 40 N -0.36 3.64 -0.24 5.23 0.00 -1.26 -0.49 121.76 128.28 2dnc s ALA 40 Ca 0.58 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 2dnc s ALA 40 Cb -0.45 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.01 2dnc s ALA 40 CO 0.50 -0.75 -0.34 1.28 0.00 0.00 0.00 175.76 176.46 2dnc n LEU 41 N 2.51 1.95 -4.01 0.00 4.77 0.39 -4.70 117.00 117.91 2dnc n LEU 41 Ca 0.07 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 2dnc n LEU 41 Cb 0.40 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 2dnc n LEU 41 CO 0.61 0.24 0.17 0.00 -1.33 0.00 0.00 177.39 177.07 2dnc s GLU 43 N -3.84 3.42 -0.11 0.00 2.02 -0.73 0.89 118.70 120.34 2dnc s GLU 43 Ca 0.24 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 2dnc s GLU 43 Cb -0.00 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 2dnc s GLU 43 CO 0.11 -0.46 0.38 0.42 0.02 0.00 0.00 175.26 175.73 2dnc s ILE 44 N 1.69 5.21 -0.04 -1.63 -1.09 0.13 -0.07 121.20 125.41 2dnc s ILE 44 Ca 0.06 0.75 -0.19 0.00 -2.23 0.00 0.00 60.65 59.04 2dnc s ILE 44 Cb -0.17 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2dnc s ILE 44 CO 0.10 0.41 0.52 -0.70 -1.23 0.00 0.00 174.94 174.03 2dnc s GLU 45 N 0.20 4.25 -0.01 2.79 2.12 0.14 -1.44 118.70 126.76 2dnc s GLU 45 Ca 0.22 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 56.09 2dnc s GLU 45 Cb -0.14 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 2dnc s GLU 45 CO 0.08 0.36 0.06 0.95 -0.54 0.00 0.00 175.26 176.18 2dnc s THR 46 N -0.09 0.05 0.21 -1.70 -4.23 -1.01 -3.36 115.64 105.51 2dnc s THR 46 Ca 0.28 -0.43 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 2dnc s THR 46 Cb -0.17 -0.24 0.22 0.00 1.34 0.00 0.00 72.50 73.65 2dnc s THR 46 CO 0.14 -0.24 1.61 -0.78 -0.54 0.00 0.00 174.62 174.81 2dnc h ASP 47 N 5.19 -0.82 -0.40 3.99 1.82 -1.97 -0.82 116.42 123.40 2dnc h ASP 47 Ca -0.28 0.21 0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2dnc h ASP 47 Cb 1.20 0.48 -0.06 0.00 0.68 0.00 0.00 39.33 41.63 2dnc h ASP 47 CO 0.43 -0.26 -0.39 0.50 -1.61 0.00 0.00 179.24 177.92 2dnc h LYS 48 N -0.06 -0.18 0.00 0.28 1.63 -2.02 -3.47 116.57 112.75 2dnc h LYS 48 Ca 0.29 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2dnc h LYS 48 Cb 0.52 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2dnc h LYS 48 CO -0.70 -0.12 0.00 0.00 -3.45 0.00 0.00 179.45 175.18 2dnc n ALA 49 N -3.03 0.00 -2.66 5.00 0.00 -0.31 -5.12 120.51 114.39 2dnc n ALA 49 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2dnc n ALA 49 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.32 4.80 0.28 0.00 0.11 -1.26 -2.39 120.40 119.62 2dnc s VAL 50 Ca 0.00 1.73 0.11 0.00 -2.93 0.00 0.00 61.98 60.89 2dnc s VAL 50 Cb 0.00 -4.18 -0.05 0.00 -1.53 0.00 0.00 36.38 30.61 2dnc s VAL 50 CO 0.00 -0.07 -0.18 0.68 -3.33 0.00 0.00 175.10 172.20 2dnc s VAL 51 N 2.71 2.39 0.01 2.04 -7.23 -0.52 -5.00 120.40 114.79 2dnc s VAL 51 Ca 0.39 -2.36 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 2dnc s VAL 51 Cb -0.16 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2dnc s VAL 51 CO 0.09 -0.38 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.40 2dnc s THR 52 N -2.56 2.52 -0.38 5.32 2.01 -1.26 0.20 115.64 121.48 2dnc s THR 52 Ca 0.30 -1.11 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 2dnc s THR 52 Cb -0.04 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.50 2dnc s THR 52 CO 0.15 0.46 0.64 -0.22 -0.69 0.00 0.00 174.62 174.96 2dnc s LEU 53 N -1.02 4.32 0.31 4.42 0.20 0.26 -4.81 118.68 122.36 2dnc s LEU 53 Ca 0.12 0.01 -0.12 0.00 0.69 0.00 0.00 54.13 54.83 2dnc s LEU 53 Cb -0.10 -2.77 -0.08 0.00 -0.43 0.00 0.00 46.19 42.81 2dnc s LEU 53 CO 0.02 -0.65 0.69 1.51 -0.29 0.00 0.00 176.35 177.62 2dnc s ASP 54 N 1.86 6.66 0.45 3.68 -4.77 -1.26 0.15 116.67 123.44 2dnc s ASP 54 Ca 0.24 1.13 -0.23 0.00 -3.30 0.00 0.00 52.55 50.38 2dnc s ASP 54 Cb -0.14 -2.31 -0.08 0.00 -1.09 0.00 0.00 42.92 39.30 2dnc s ASP 54 CO 0.16 -0.21 1.17 0.00 0.70 0.00 0.00 175.17 176.99 2dnc s ALA 55 N -2.03 3.02 -0.65 2.11 0.00 0.36 -4.80 121.76 119.77 2dnc s ALA 55 Ca 0.51 0.96 0.19 0.00 0.00 0.00 0.00 51.96 53.62 2dnc s ALA 55 Cb -0.10 -3.39 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 2dnc s ALA 55 CO 0.22 -0.65 0.69 0.43 0.00 0.00 0.00 175.76 176.45 2dnc n SER 56 N -0.36 0.81 -3.82 0.00 7.64 -1.26 -1.67 113.62 114.96 2dnc n SER 56 Ca 0.07 -0.69 -0.09 0.00 1.01 0.00 0.00 58.87 59.17 2dnc n SER 56 Cb 0.47 1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 64.87 2dnc n SER 56 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dnc s ASP 57 N -3.12 -0.25 -0.21 6.43 2.15 -1.26 -4.86 116.67 115.56 2dnc s ASP 57 Ca 0.03 -0.59 -0.08 0.00 0.43 0.00 0.00 52.55 52.34 2dnc s ASP 57 Cb 0.13 0.65 -0.04 0.00 -0.30 0.00 0.00 42.92 43.36 2dnc s ASP 57 CO 0.77 -1.19 0.09 -1.81 -0.17 0.00 0.00 175.17 172.86 2dnc s ASP 58 N -2.91 5.72 0.01 -0.34 1.11 -1.26 -3.51 116.67 115.48 2dnc s ASP 58 Ca 0.12 0.06 -0.03 0.00 0.18 0.00 0.00 52.55 52.88 2dnc s ASP 58 Cb -0.03 -2.00 0.01 0.00 1.07 0.00 0.00 42.92 41.97 2dnc s ASP 58 CO 0.03 0.12 0.15 0.61 1.18 0.00 0.00 175.17 177.26 2dnc n GLY 59 N 3.89 0.78 3.74 0.21 0.00 -0.38 -4.75 105.19 108.69 2dnc n GLY 59 Ca -0.16 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.25 5.10 -0.91 -0.61 -1.09 0.40 0.19 121.20 122.01 2dnc s ILE 60 Ca 0.03 0.07 -0.25 0.00 -2.23 0.00 0.00 60.65 58.27 2dnc s ILE 60 Cb -0.00 -3.26 -0.10 0.00 -1.58 0.00 0.00 42.46 37.51 2dnc s ILE 60 CO 0.00 0.52 2.12 -0.22 -1.23 0.00 0.00 174.94 176.14 2dnc s LEU 61 N -0.21 2.96 0.01 2.97 0.20 0.21 -1.46 118.68 123.37 2dnc s LEU 61 Ca 0.09 -0.57 -0.04 0.00 0.69 0.00 0.00 54.13 54.30 2dnc s LEU 61 Cb -0.12 -2.56 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 2dnc s LEU 61 CO 0.01 -3.39 1.07 0.00 -0.29 0.00 0.00 176.35 173.74 2dnc h ALA 62 N 11.62 -0.73 -2.74 5.97 0.00 -1.27 0.41 119.26 132.52 2dnc h ALA 62 Ca 0.07 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 2dnc h ALA 62 Cb 0.99 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 2dnc h ALA 62 CO 1.12 -0.74 -0.41 -1.59 0.00 0.00 0.00 179.25 177.63 2dnc s LYS 63 N -3.33 1.47 -0.48 0.00 -2.85 -1.09 -4.40 119.74 109.06 2dnc s LYS 63 Ca -0.02 -1.61 0.03 0.00 -1.00 0.00 0.00 55.97 53.37 2dnc s LYS 63 Cb 0.01 0.35 0.13 0.00 -2.06 0.00 0.00 37.83 36.26 2dnc s LYS 63 CO 0.07 -0.55 0.25 0.42 0.10 0.00 0.00 175.35 175.64 2dnc s ILE 64 N -3.86 1.97 0.18 3.79 1.01 -1.26 -1.35 121.20 121.67 2dnc s ILE 64 Ca 0.34 -2.91 -0.26 0.00 0.00 0.00 0.00 60.65 57.81 2dnc s ILE 64 Cb 0.03 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 40.16 2dnc s ILE 64 CO 0.15 -0.85 1.53 0.52 0.00 0.00 0.00 174.94 176.29 2dnc n VAL 65 N 3.35 -0.62 -4.37 2.92 0.31 -0.40 -4.03 118.33 115.48 2dnc n VAL 65 Ca 0.07 2.37 -0.34 0.00 -0.01 0.00 0.00 64.34 66.43 2dnc n VAL 65 Cb 0.33 -2.99 -0.14 0.00 -0.91 0.00 0.00 33.84 30.13 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 -5.64 3.05 0.80 2.52 1.01 -0.76 -4.98 120.40 116.40 2dnc s VAL 66 Ca -0.12 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2dnc s VAL 66 Cb 0.14 -2.32 0.13 0.00 0.00 0.00 0.00 36.38 34.33 2dnc s VAL 66 CO 0.64 0.49 1.12 -1.61 0.00 0.00 0.00 175.10 175.74 2dnc s GLU 67 N 0.88 1.46 0.60 2.72 8.01 -1.26 -4.82 118.70 126.30 2dnc s GLU 67 Ca -0.03 -0.62 -0.18 0.00 0.01 0.00 0.00 54.97 54.15 2dnc s GLU 67 Cb -0.15 -2.11 -0.03 0.00 -4.31 0.00 0.00 34.13 27.53 2dnc s GLU 67 CO 0.00 -1.73 1.14 -1.83 0.01 0.00 0.00 175.26 172.85 2dnc s GLU 68 N -5.44 3.04 0.00 1.61 1.03 -1.26 -3.30 118.70 114.38 2dnc s GLU 68 Ca 0.67 1.60 0.00 0.00 0.03 0.00 0.00 54.97 57.27 2dnc s GLU 68 Cb -0.06 -1.96 0.00 0.00 -0.80 0.00 0.00 34.13 31.30 2dnc s GLU 68 CO 0.47 -1.10 0.00 0.41 -1.33 0.00 0.00 175.26 173.72 2dnc n GLY 69 N 0.05 0.87 3.72 -3.83 0.00 0.42 -4.99 105.19 101.42 2dnc n GLY 69 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.99 7.31 0.54 1.61 0.01 -1.21 -4.95 113.70 115.03 2dnc s SER 70 Ca 0.00 1.59 0.06 0.00 1.31 0.00 0.00 55.95 58.90 2dnc s SER 70 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.73 2dnc s SER 70 CO 0.00 -0.19 0.42 -0.54 0.41 0.00 0.00 173.24 173.34 2dnc s LYS 71 N 0.77 2.26 -0.48 12.44 1.02 -1.26 -1.69 119.74 132.80 2dnc s LYS 71 Ca 0.48 -1.99 -0.29 0.00 0.02 0.00 0.00 55.97 54.19 2dnc s LYS 71 Cb -0.21 -2.13 0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2dnc s LYS 71 CO 0.26 -0.62 0.65 0.09 -0.92 0.00 0.00 175.35 174.81 2dnc n ASN 72 N -1.78 -6.18 -4.18 2.83 3.02 -0.59 -4.90 115.26 103.48 2dnc n ASN 72 Ca -0.01 -0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.12 2dnc n ASN 72 Cb 0.64 -2.77 -0.06 0.00 -0.61 0.00 0.00 39.78 36.99 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dnc s ILE 73 N -1.94 4.61 0.63 2.41 -1.09 0.78 -4.84 121.20 121.76 2dnc s ILE 73 Ca 0.31 -3.25 -0.15 0.00 -2.23 0.00 0.00 60.65 55.33 2dnc s ILE 73 Cb -0.04 -3.88 -0.13 0.00 -1.58 0.00 0.00 42.46 36.83 2dnc s ILE 73 CO 0.85 -1.02 -0.38 0.54 -1.23 0.00 0.00 174.94 173.69 2dnc n ARG 74 N 3.07 0.00 -1.55 2.79 1.74 -1.26 -2.24 116.66 119.20 2dnc n ARG 74 Ca 0.16 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.91 2dnc n ARG 74 Cb 0.39 -0.85 0.07 0.00 -1.02 0.00 0.00 32.46 31.06 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnc s LEU 75 N 5.46 3.30 -1.16 0.55 1.43 0.17 -3.70 118.68 124.74 2dnc s LEU 75 Ca 0.41 2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 55.36 2dnc s LEU 75 Cb -0.29 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.37 2dnc s LEU 75 CO 0.63 -1.94 0.77 0.61 0.23 0.00 0.00 176.35 176.65 2dnc n GLY 76 N -0.30 -0.95 3.11 -3.19 0.00 -1.19 -4.91 105.19 97.77 2dnc n GLY 76 Ca 0.11 0.42 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.49 2.14 -0.09 1.61 0.01 -1.24 -4.78 113.70 107.86 2dnc s SER 77 Ca 0.48 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 2dnc s SER 77 Cb -0.20 -0.74 -0.06 0.00 0.21 0.00 0.00 66.02 65.24 2dnc s SER 77 CO 0.89 0.12 1.78 -0.76 0.41 0.00 0.00 173.24 175.69 2dnc s LEU 78 N 0.23 4.16 -0.01 2.44 1.43 -1.26 -1.67 118.68 124.01 2dnc s LEU 78 Ca -0.08 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 55.29 2dnc s LEU 78 Cb -0.13 -3.53 -0.14 0.00 0.03 0.00 0.00 46.19 42.42 2dnc s LEU 78 CO 0.03 -1.14 0.23 2.30 0.23 0.00 0.00 176.35 178.01 2dnc n ILE 79 N 5.94 0.00 -3.57 -0.59 -5.35 0.01 -4.26 119.36 111.53 2dnc n ILE 79 Ca 0.20 -0.23 -0.08 0.00 -0.27 0.00 0.00 62.75 62.37 2dnc n ILE 79 Cb 0.43 0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 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 -2.90 -0.26 -0.08 3.28 0.00 -1.24 -1.28 107.32 104.85 2dnc s GLY 80 Ca -0.02 1.86 0.04 0.00 0.00 0.00 0.00 44.72 46.60 2dnc s GLY 80 CO 0.39 0.82 -0.20 -2.27 0.00 0.00 0.00 173.10 171.84 2dnc s LEU 81 N -1.55 2.37 0.11 0.66 1.98 -0.46 0.88 118.68 122.66 2dnc s LEU 81 Ca 0.03 -0.40 0.06 0.00 -2.89 0.00 0.00 54.13 50.92 2dnc s LEU 81 Cb -0.01 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 45.33 2dnc s LEU 81 CO -0.03 0.24 -0.03 -0.63 -1.89 0.00 0.00 176.35 174.01 2dnc s ILE 82 N -0.11 3.80 -0.03 6.68 1.01 0.27 -0.79 121.20 132.04 2dnc s ILE 82 Ca -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 2dnc s ILE 82 Cb -0.14 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2dnc s ILE 82 CO 0.04 0.09 0.05 0.68 0.00 0.00 0.00 174.94 175.80 2dnc s VAL 83 N -1.34 -0.05 -0.44 2.92 -7.23 -0.53 0.61 120.40 114.34 2dnc s VAL 83 Ca 0.25 0.20 -0.42 0.00 -1.81 0.00 0.00 61.98 60.20 2dnc s VAL 83 Cb -0.11 -0.11 -0.17 0.00 0.56 0.00 0.00 36.38 36.55 2dnc s VAL 83 CO 0.17 0.08 2.03 -0.62 -0.31 0.00 0.00 175.10 176.45 2dnc n GLU 84 N 4.14 0.39 -1.37 4.82 1.02 -1.26 -0.45 120.64 127.91 2dnc n GLU 84 Ca -0.27 0.12 -0.49 0.00 -0.02 0.00 0.00 57.16 56.50 2dnc n GLU 84 Cb 0.51 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 2dnc n GLU 84 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2dnc n GLU 85 N 6.92 0.00 0.00 3.49 0.00 -1.26 -2.90 120.64 126.90 2dnc n GLU 85 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.61 2dnc n GLU 85 Cb 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.38 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dnc n GLY 86 N 1.78 1.06 3.63 -1.84 0.00 -1.26 -5.00 105.19 103.57 2dnc n GLY 86 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2dnc n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 87 N -0.30 2.02 -1.02 1.61 2.02 -1.14 -5.00 118.70 116.88 2dnc s GLU 87 Ca 0.00 -1.90 -0.07 0.00 0.02 0.00 0.00 54.97 53.02 2dnc s GLU 87 Cb 0.00 -1.81 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 2dnc s GLU 87 CO 0.00 0.04 2.41 -0.25 0.02 0.00 0.00 175.26 177.48 2dnc n ASP 88 N -0.98 5.90 -0.11 -0.19 9.92 -1.26 -4.56 116.55 125.28 2dnc n ASP 88 Ca -0.04 -2.38 -0.05 0.00 -0.53 0.00 0.00 54.79 51.79 2dnc n ASP 88 Cb 0.64 -1.22 0.02 0.00 -0.64 0.00 0.00 41.12 39.92 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 5.69 -0.13 -1.43 1.24 5.08 -1.95 -3.41 115.95 121.05 2dnc h TRP 89 Ca 0.57 0.03 -0.73 0.00 1.08 0.00 0.00 58.89 59.84 2dnc h TRP 89 Cb 0.29 0.12 0.01 0.00 -3.00 0.00 0.00 29.16 26.57 2dnc h TRP 89 CO 1.90 -0.13 0.99 1.17 -1.28 0.00 0.00 178.44 181.09 2dnc n LYS 90 N -5.26 1.11 -2.08 0.12 4.81 -1.26 -3.85 118.16 111.75 2dnc n LYS 90 Ca 0.02 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2dnc n LYS 90 Cb 0.21 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.13 2dnc n LYS 90 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2dnc n HIS 91 N 6.05 -3.95 -2.07 5.64 -0.00 -1.26 -4.76 115.22 114.86 2dnc n HIS 91 Ca 0.30 2.35 -0.40 0.00 0.46 0.00 0.00 57.72 60.42 2dnc n HIS 91 Cb 0.13 -3.50 -0.03 0.00 -0.12 0.00 0.00 29.99 26.47 2dnc n HIS 91 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2dnc s VAL 92 N -0.49 3.46 -0.05 3.57 1.01 -1.25 -4.93 120.40 121.72 2dnc s VAL 92 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 2dnc s VAL 92 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2dnc s VAL 92 CO 0.00 -0.77 0.25 -0.94 0.00 0.00 0.00 175.10 173.64 2dnc s SER 93 N 6.99 -0.19 0.64 3.32 1.04 -1.26 -5.16 113.70 119.08 2dnc s SER 93 Ca 0.69 0.26 -0.14 0.00 0.48 0.00 0.00 55.95 57.24 2dnc s SER 93 Cb -0.15 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2dnc s SER 93 CO 0.26 -0.25 1.07 -0.83 0.98 0.00 0.00 173.24 174.47 2dnc s GLY 94 N -0.58 2.00 -0.89 7.32 0.00 -1.26 -4.89 107.32 109.02 2dnc s GLY 94 Ca -0.07 0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.94 2dnc s GLY 94 CO 0.02 0.68 2.58 -1.55 0.00 0.00 0.00 173.10 174.82 2dnc n PRO 95 N -2.47 2.43 -3.22 2.90 -0.04 -1.26 -4.86 135.00 128.48 2dnc n PRO 95 Ca 0.09 -1.50 -0.40 0.00 -0.04 0.00 0.00 63.50 61.65 2dnc n PRO 95 Cb 0.53 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.51 2dnc n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnc s SER 96 N 2.71 6.45 -0.07 3.54 0.15 -1.26 -4.61 113.70 120.61 2dnc s SER 96 Ca 0.52 0.55 -0.03 0.00 0.70 0.00 0.00 55.95 57.68 2dnc s SER 96 Cb 0.16 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2dnc s SER 96 CO -0.03 -0.29 0.06 -0.24 1.20 0.00 0.00 173.24 173.93 2dnc n SER 97 N 5.53 -6.65 0.00 5.45 2.88 -1.26 -5.24 113.62 114.33 2dnc n SER 97 Ca -0.04 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2dnc n SER 97 Cb 0.50 -2.02 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42