#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 -0.42 0.23 1.61 1.04 -1.26 -5.18 113.70 109.73 2dnc s SER 2 Ca 0.00 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.29 2dnc s SER 2 Cb 0.00 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 2dnc s SER 2 CO 0.00 -0.16 0.07 -0.44 0.98 0.00 0.00 173.24 173.70 2dnc s SER 3 N 0.11 4.99 0.29 7.02 0.01 -1.26 -5.03 113.70 119.84 2dnc s SER 3 Ca 0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2dnc s SER 3 Cb -0.05 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2dnc s SER 3 CO -0.06 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2dnc n GLY 4 N -0.76 0.77 1.43 3.44 0.00 -1.26 -4.79 105.19 104.03 2dnc n GLY 4 Ca -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.71 0.53 -3.95 1.61 2.88 -1.26 -5.09 113.62 104.64 2dnc n SER 5 Ca 0.00 0.26 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 2dnc n SER 5 Cb 0.00 -0.03 -0.15 0.00 -0.75 0.00 0.00 64.21 63.28 2dnc n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnc s SER 6 N -5.54 0.78 -0.17 -3.46 0.01 -1.26 -5.14 113.70 98.93 2dnc s SER 6 Ca 0.00 -0.11 -0.35 0.00 1.31 0.00 0.00 55.95 56.80 2dnc s SER 6 Cb 0.00 -0.20 0.15 0.00 0.21 0.00 0.00 66.02 66.18 2dnc s SER 6 CO 0.00 0.03 1.38 -0.83 0.41 0.00 0.00 173.24 174.24 2dnc s GLY 7 N 0.22 -0.36 -0.35 3.44 0.00 -1.26 -4.95 107.32 104.06 2dnc s GLY 7 Ca -0.02 1.34 -0.14 0.00 0.00 0.00 0.00 44.72 45.89 2dnc s GLY 7 CO -0.00 0.37 0.30 -0.42 0.00 0.00 0.00 173.10 173.34 2dnc s ILE 8 N -2.10 5.23 -0.16 0.90 1.01 -0.59 -4.93 121.20 120.56 2dnc s ILE 8 Ca 0.13 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.39 2dnc s ILE 8 Cb 0.04 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2dnc s ILE 8 CO -0.05 -0.08 0.71 -1.59 0.00 0.00 0.00 174.94 173.93 2dnc s LYS 9 N 1.84 4.29 -0.34 2.79 -2.85 -1.26 0.22 119.74 124.44 2dnc s LYS 9 Ca 0.08 0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 55.62 2dnc s LYS 9 Cb -0.17 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.06 2dnc s LYS 9 CO 0.11 -0.19 0.79 0.42 0.10 0.00 0.00 175.35 176.58 2dnc s ILE 10 N 1.70 4.76 -0.10 3.79 1.01 0.78 -4.99 121.20 128.16 2dnc s ILE 10 Ca 0.34 1.04 -0.00 0.00 0.00 0.00 0.00 60.65 62.03 2dnc s ILE 10 Cb -0.16 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2dnc s ILE 10 CO 0.13 -0.34 -0.08 -0.76 0.00 0.00 0.00 174.94 173.88 2dnc s LEU 11 N 3.04 3.04 -0.12 2.97 1.43 -1.26 -1.91 118.68 125.87 2dnc s LEU 11 Ca 0.32 -0.13 -0.38 0.00 -1.03 0.00 0.00 54.13 52.91 2dnc s LEU 11 Cb -0.14 -1.68 -0.15 0.00 0.03 0.00 0.00 46.19 44.25 2dnc s LEU 11 CO 0.15 0.27 1.62 0.80 0.23 0.00 0.00 176.35 179.43 2dnc n MET 12 N 2.81 1.33 -1.94 1.70 0.00 -0.93 -4.84 117.12 115.25 2dnc n MET 12 Ca -0.18 0.48 -0.32 0.00 -0.00 0.00 0.00 57.70 57.68 2dnc n MET 12 Cb 0.53 -2.18 0.02 0.00 0.00 0.00 0.00 33.22 31.59 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 2.50 3.26 -1.06 2.12 0.04 -1.26 -3.37 135.00 137.23 2dnc s PRO 13 Ca 0.92 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2dnc s PRO 13 Cb -0.97 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 31.66 2dnc s PRO 13 CO 0.57 -0.85 2.46 -1.13 0.04 0.00 0.00 177.00 178.08 2dnc n SER 14 N -2.31 7.57 -0.28 6.66 3.41 -1.26 -4.76 113.62 122.65 2dnc n SER 14 Ca 0.08 -3.20 -0.11 0.00 -0.26 0.00 0.00 58.87 55.38 2dnc n SER 14 Cb 0.53 -1.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.08 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dnc h LEU 15 N 5.01 -1.84-10.28 1.04 3.38 -1.98 -3.40 115.31 107.23 2dnc h LEU 15 Ca 0.61 0.27 -0.47 0.00 0.09 0.00 0.00 57.88 58.37 2dnc h LEU 15 Cb 0.41 0.79 0.17 0.00 0.09 0.00 0.00 40.66 42.13 2dnc h LEU 15 CO 1.29 -0.27 0.17 -0.44 0.09 0.00 0.00 178.44 179.28 2dnc s SER 16 N -5.08 2.51 0.23 -0.43 0.01 -1.26 -4.94 113.70 104.74 2dnc s SER 16 Ca -0.12 1.54 0.10 0.00 1.31 0.00 0.00 55.95 58.78 2dnc s SER 16 Cb 0.09 -2.21 0.18 0.00 0.21 0.00 0.00 66.02 64.29 2dnc s SER 16 CO 0.55 -3.25 1.51 1.55 0.41 0.00 0.00 173.24 174.01 2dnc h PRO 17 N -1.97 0.00 0.00 12.44 0.13 -2.03 -3.32 132.00 137.25 2dnc h PRO 17 Ca -0.53 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 2dnc h PRO 17 Cb 1.30 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.25 2dnc h PRO 17 CO 0.52 0.73 -0.72 0.25 -0.23 0.00 0.00 178.00 178.54 2dnc n THR 18 N -3.63 0.30 -1.16 1.56 -2.24 -1.26 -5.11 114.28 102.73 2dnc n THR 18 Ca -0.01 -0.88 -0.39 0.00 -2.27 0.00 0.00 64.05 60.50 2dnc n THR 18 Cb 0.72 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 2dnc n THR 18 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2dnc n MET 19 N 0.06 0.00 -0.02 -0.78 1.56 -1.25 -4.90 117.12 111.79 2dnc n MET 19 Ca 0.05 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.46 2dnc n MET 19 Cb 0.91 -0.84 -0.03 0.00 2.15 0.00 0.00 33.22 35.41 2dnc n MET 19 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2dnc n GLU 20 N 0.90 2.23 -3.43 2.12 1.02 -1.26 -4.89 120.64 117.33 2dnc n GLU 20 Ca 0.14 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.30 2dnc n GLU 20 Cb 0.23 -1.10 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2dnc s GLU 21 N -2.09 0.21 0.00 3.49 -1.05 -1.26 -3.66 118.70 114.34 2dnc s GLU 21 Ca -0.04 0.46 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2dnc s GLU 21 Cb 0.01 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2dnc s GLU 21 CO 0.14 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.70 2dnc n GLY 22 N 4.35 -0.37 3.00 -3.83 0.00 0.44 -4.25 105.19 104.52 2dnc n GLY 22 Ca -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.00 -0.34 -0.33 1.61 0.01 -1.16 0.18 114.94 113.93 2dnc s ASN 23 Ca 0.00 0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 52.22 2dnc s ASN 23 Cb 0.00 1.48 -0.01 0.00 0.41 0.00 0.00 41.25 43.13 2dnc s ASN 23 CO 0.00 -0.29 1.69 -0.63 -1.51 0.00 0.00 177.10 176.35 2dnc s ILE 24 N 2.66 3.60 -0.01 0.60 1.01 -0.37 0.19 121.20 128.87 2dnc s ILE 24 Ca 0.15 0.63 -0.17 0.00 0.00 0.00 0.00 60.65 61.25 2dnc s ILE 24 Cb -0.15 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 2dnc s ILE 24 CO -0.20 -0.46 0.78 0.58 0.00 0.00 0.00 174.94 175.65 2dnc h VAL 25 N 6.62 0.00 -2.89 2.92 2.07 -0.02 -1.48 116.25 123.47 2dnc h VAL 25 Ca -0.32 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 2dnc h VAL 25 Cb 1.15 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.76 2dnc h VAL 25 CO 1.04 0.00 -0.04 -0.75 0.02 0.00 0.00 177.57 177.83 2dnc s LYS 26 N -3.62 0.97 -0.13 1.57 2.20 -1.25 -3.24 119.74 116.24 2dnc s LYS 26 Ca -0.09 -0.29 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 2dnc s LYS 26 Cb 0.01 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2dnc s LYS 26 CO 0.27 -0.34 0.57 -1.58 -0.36 0.00 0.00 175.35 173.91 2dnc s TRP 27 N -2.39 3.49 -0.56 4.03 0.52 -1.26 -1.31 118.94 121.46 2dnc s TRP 27 Ca -0.06 0.98 0.24 0.00 0.02 0.00 0.00 56.10 57.29 2dnc s TRP 27 Cb -0.01 -2.67 0.46 0.00 -1.15 0.00 0.00 33.47 30.10 2dnc s TRP 27 CO -0.02 0.06 1.54 -0.07 0.02 0.00 0.00 176.95 178.48 2dnc h LEU 28 N 7.10 0.00 -9.54 2.99 3.38 0.13 -3.46 115.31 115.91 2dnc h LEU 28 Ca -0.39 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 56.97 2dnc h LEU 28 Cb 1.17 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2dnc h LEU 28 CO 0.76 0.02 -0.58 -0.54 0.09 0.00 0.00 178.44 178.18 2dnc s LYS 29 N -3.18 1.88 0.44 1.13 -0.14 -1.00 -5.00 119.74 113.87 2dnc s LYS 29 Ca 0.07 -2.08 0.03 0.00 -1.36 0.00 0.00 55.97 52.63 2dnc s LYS 29 Cb 0.10 -1.27 -0.03 0.00 -1.68 0.00 0.00 37.83 34.95 2dnc s LYS 29 CO 0.67 -0.18 0.05 0.15 -0.76 0.00 0.00 175.35 175.28 2dnc s LYS 30 N -3.80 2.01 -0.07 1.68 -0.14 -1.26 -5.05 119.74 113.12 2dnc s LYS 30 Ca 0.31 -2.23 -0.30 0.00 -1.36 0.00 0.00 55.97 52.39 2dnc s LYS 30 Cb 0.08 -1.21 -0.02 0.00 -1.68 0.00 0.00 37.83 35.00 2dnc s LYS 30 CO 0.15 -0.32 1.07 -1.21 -0.76 0.00 0.00 175.35 174.28 2dnc s GLU 31 N -3.80 4.42 0.00 1.68 2.02 -1.26 -2.82 118.70 118.93 2dnc s GLU 31 Ca 0.19 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.68 2dnc s GLU 31 Cb 0.04 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2dnc s GLU 31 CO 0.10 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2dnc n GLY 32 N 3.16 0.54 3.82 -1.39 0.00 0.14 -5.01 105.19 106.46 2dnc n GLY 32 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.93 4.19 0.87 1.61 0.41 -1.13 -4.69 118.70 119.04 2dnc s GLU 33 Ca 0.00 1.06 -0.11 0.00 -0.41 0.00 0.00 54.97 55.51 2dnc s GLU 33 Cb 0.00 -2.21 0.11 0.00 -1.78 0.00 0.00 34.13 30.26 2dnc s GLU 33 CO 0.00 -0.02 1.09 0.00 -0.49 0.00 0.00 175.26 175.84 2dnc s ALA 34 N -2.18 1.71 -0.01 5.21 0.00 -1.26 -0.35 121.76 124.88 2dnc s ALA 34 Ca 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2dnc s ALA 34 Cb -0.09 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2dnc s ALA 34 CO 0.14 -2.22 0.05 0.08 0.00 0.00 0.00 175.76 173.81 2dnc s VAL 35 N -2.93 0.05 -0.04 0.00 1.01 0.50 -4.72 120.40 114.27 2dnc s VAL 35 Ca 0.63 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2dnc s VAL 35 Cb -0.18 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2dnc s VAL 35 CO 0.57 -0.23 -0.09 -0.44 0.00 0.00 0.00 175.10 174.90 2dnc s SER 36 N -0.72 1.33 0.16 3.32 0.01 -1.26 -1.85 113.70 114.68 2dnc s SER 36 Ca -0.08 -0.21 -0.33 0.00 1.31 0.00 0.00 55.95 56.64 2dnc s SER 36 Cb -0.05 -0.47 -0.13 0.00 0.21 0.00 0.00 66.02 65.58 2dnc s SER 36 CO 0.00 0.04 1.64 0.00 0.41 0.00 0.00 173.24 175.33 2dnc n ALA 37 N 3.53 1.73 0.00 1.44 0.00 -1.26 -1.06 120.51 124.90 2dnc n ALA 37 Ca -0.21 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2dnc n ALA 37 Cb 0.53 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.62 2.51 3.78 0.00 0.00 -0.29 -4.94 105.19 109.87 2dnc n GLY 38 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 0.19 6.76 0.03 1.61 1.11 -0.22 -4.62 116.67 121.52 2dnc s ASP 39 Ca 0.00 2.09 -0.30 0.00 0.18 0.00 0.00 52.55 54.52 2dnc s ASP 39 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2dnc s ASP 39 CO 0.00 -0.50 1.21 0.00 1.18 0.00 0.00 175.17 177.06 2dnc s ALA 40 N -1.59 3.42 -0.19 5.23 0.00 -1.26 0.31 121.76 127.69 2dnc s ALA 40 Ca 0.57 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 2dnc s ALA 40 Cb -0.24 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 2dnc s ALA 40 CO 0.30 -0.53 0.02 1.28 0.00 0.00 0.00 175.76 176.83 2dnc n LEU 41 N 4.30 1.85 -3.95 0.00 4.77 0.45 -4.67 117.00 119.74 2dnc n LEU 41 Ca 0.10 0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 2dnc n LEU 41 Cb 0.46 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 2dnc n LEU 41 CO 0.56 0.01 0.06 0.00 -1.33 0.00 0.00 177.39 176.69 2dnc s GLU 43 N -3.98 3.68 -0.03 0.00 2.02 -0.43 0.14 118.70 120.10 2dnc s GLU 43 Ca 0.19 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.68 2dnc s GLU 43 Cb 0.02 -3.76 -0.05 0.00 0.10 0.00 0.00 34.13 30.43 2dnc s GLU 43 CO 0.03 -0.43 0.38 0.42 0.02 0.00 0.00 175.26 175.68 2dnc s ILE 44 N 1.96 5.10 -0.17 -1.63 -1.09 0.31 0.71 121.20 126.39 2dnc s ILE 44 Ca 0.11 0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 59.20 2dnc s ILE 44 Cb -0.16 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 2dnc s ILE 44 CO 0.11 0.55 0.19 -0.70 -1.23 0.00 0.00 174.94 173.86 2dnc s GLU 45 N -0.85 4.05 -0.01 2.79 2.12 0.13 -1.77 118.70 125.16 2dnc s GLU 45 Ca 0.23 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 2dnc s GLU 45 Cb -0.16 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.86 2dnc s GLU 45 CO 0.12 0.39 0.08 0.95 -0.54 0.00 0.00 175.26 176.27 2dnc s THR 46 N 0.06 0.05 0.22 -1.70 -4.23 -0.92 -2.96 115.64 106.15 2dnc s THR 46 Ca 0.12 -0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 2dnc s THR 46 Cb -0.12 -0.26 0.24 0.00 1.34 0.00 0.00 72.50 73.70 2dnc s THR 46 CO 0.01 -0.22 1.63 0.44 -0.54 0.00 0.00 174.62 175.95 2dnc h ASP 47 N 5.19 -0.51 -0.45 3.99 5.19 -1.98 -0.80 116.42 127.06 2dnc h ASP 47 Ca -0.28 0.19 0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2dnc h ASP 47 Cb 1.20 0.37 -0.08 0.00 0.18 0.00 0.00 39.33 41.00 2dnc h ASP 47 CO 0.43 -0.19 -0.50 0.11 -3.12 0.00 0.00 179.24 175.97 2dnc h LYS 48 N 0.03 -0.28 0.00 3.56 6.56 -2.03 -3.47 116.57 120.95 2dnc h LYS 48 Ca 0.32 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 2dnc h LYS 48 Cb 0.51 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 2dnc h LYS 48 CO -0.63 -0.19 0.00 0.00 -2.06 0.00 0.00 179.45 176.57 2dnc n ALA 49 N -3.07 -0.02 -2.99 3.86 0.00 -0.31 -5.10 120.51 112.89 2dnc n ALA 49 Ca -0.02 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 2dnc n ALA 49 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.49 4.62 0.44 0.00 0.11 -1.26 -2.16 120.40 119.66 2dnc s VAL 50 Ca 0.00 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.26 2dnc s VAL 50 Cb -0.00 -4.61 0.01 0.00 -1.53 0.00 0.00 36.38 30.25 2dnc s VAL 50 CO 0.00 -1.31 0.62 0.68 -3.33 0.00 0.00 175.10 171.76 2dnc s VAL 51 N 3.20 3.31 0.04 2.04 -7.23 -0.73 -4.98 120.40 116.06 2dnc s VAL 51 Ca 0.19 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.60 2dnc s VAL 51 Cb -0.18 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 2dnc s VAL 51 CO 0.05 -0.09 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.69 2dnc s THR 52 N -2.46 1.39 -0.10 5.32 2.01 -1.26 -0.53 115.64 120.01 2dnc s THR 52 Ca 0.52 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 2dnc s THR 52 Cb -0.10 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 2dnc s THR 52 CO 0.35 0.11 0.69 -0.22 -0.69 0.00 0.00 174.62 174.86 2dnc s LEU 53 N -1.14 4.27 -0.02 4.42 0.20 0.37 -4.79 118.68 121.99 2dnc s LEU 53 Ca 0.05 1.11 0.01 0.00 0.69 0.00 0.00 54.13 55.99 2dnc s LEU 53 Cb -0.08 -3.05 -0.03 0.00 -0.43 0.00 0.00 46.19 42.60 2dnc s LEU 53 CO 0.01 -0.17 -0.02 -1.81 -0.29 0.00 0.00 176.35 174.07 2dnc s ASP 54 N 0.89 4.95 0.37 3.68 1.11 -1.26 0.17 116.67 126.58 2dnc s ASP 54 Ca 0.35 -0.02 -0.28 0.00 0.18 0.00 0.00 52.55 52.79 2dnc s ASP 54 Cb -0.17 -1.27 -0.11 0.00 1.07 0.00 0.00 42.92 42.44 2dnc s ASP 54 CO 0.16 0.31 1.42 0.00 1.18 0.00 0.00 175.17 178.23 2dnc s ALA 55 N -0.99 3.53 -0.11 5.23 0.00 0.15 -4.81 121.76 124.75 2dnc s ALA 55 Ca 0.17 1.46 0.12 0.00 0.00 0.00 0.00 51.96 53.71 2dnc s ALA 55 Cb -0.11 -3.56 -0.24 0.00 0.00 0.00 0.00 23.12 19.21 2dnc s ALA 55 CO 0.07 -0.92 0.41 0.43 0.00 0.00 0.00 175.76 175.75 2dnc n SER 56 N 0.53 0.76 -4.10 0.00 7.64 -1.26 -1.14 113.62 116.05 2dnc n SER 56 Ca 0.01 0.24 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 2dnc n SER 56 Cb 0.40 0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.69 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dnc s ASP 57 N -6.00 0.68 -0.09 6.43 1.01 -1.26 -4.79 116.67 112.65 2dnc s ASP 57 Ca -0.09 -0.93 -0.23 0.00 0.71 0.00 0.00 52.55 52.01 2dnc s ASP 57 Cb 0.07 0.15 -0.04 0.00 1.01 0.00 0.00 42.92 44.12 2dnc s ASP 57 CO 0.81 -0.51 0.67 1.51 0.21 0.00 0.00 175.17 177.86 2dnc s ASP 58 N -2.76 6.92 0.00 0.27 -4.77 -1.26 -3.99 116.67 111.08 2dnc s ASP 58 Ca 0.06 1.11 0.00 0.00 -3.30 0.00 0.00 52.55 50.42 2dnc s ASP 58 Cb 0.05 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 2dnc s ASP 58 CO -0.07 -0.13 0.00 0.61 0.70 0.00 0.00 175.17 176.28 2dnc n GLY 59 N 3.20 1.07 3.54 2.12 0.00 -0.77 -4.67 105.19 109.68 2dnc n GLY 59 Ca -0.02 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.35 3.65 -0.88 -0.61 -1.09 0.78 0.19 121.20 120.89 2dnc s ILE 60 Ca 0.00 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.68 2dnc s ILE 60 Cb 0.00 -2.51 -0.10 0.00 -1.58 0.00 0.00 42.46 38.27 2dnc s ILE 60 CO 0.00 0.57 2.16 -0.22 -1.23 0.00 0.00 174.94 176.22 2dnc s LEU 61 N -0.48 2.98 0.01 2.97 0.20 0.53 -1.43 118.68 123.46 2dnc s LEU 61 Ca 0.07 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.42 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 0.02 -3.38 1.06 0.00 -0.29 0.00 0.00 176.35 173.76 2dnc h ALA 62 N 11.81 -0.62 -2.53 5.97 0.00 -1.71 0.40 119.26 132.59 2dnc h ALA 62 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2dnc h ALA 62 Cb 1.00 0.48 -0.23 0.00 0.00 0.00 0.00 17.79 19.04 2dnc h ALA 62 CO 1.11 -0.63 -0.14 0.21 0.00 0.00 0.00 179.25 179.80 2dnc s LYS 63 N -3.29 0.60 -1.02 0.00 2.36 -1.23 -4.33 119.74 112.83 2dnc s LYS 63 Ca -0.02 0.57 -0.16 0.00 -2.55 0.00 0.00 55.97 53.81 2dnc s LYS 63 Cb 0.01 0.29 0.17 0.00 -1.05 0.00 0.00 37.83 37.25 2dnc s LYS 63 CO 0.06 -0.09 1.17 0.42 1.55 0.00 0.00 175.35 178.46 2dnc s ILE 64 N 0.03 5.08 0.16 5.43 1.01 -1.26 -2.36 121.20 129.29 2dnc s ILE 64 Ca -0.02 -2.23 -0.30 0.00 0.00 0.00 0.00 60.65 58.10 2dnc s ILE 64 Cb -0.03 -4.76 -0.06 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 5.09 0.00 -3.54 2.92 2.07 -1.59 -3.34 116.25 117.86 2dnc h VAL 65 Ca 0.20 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 67.08 2dnc h VAL 65 Cb 0.96 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.51 2dnc h VAL 65 CO 1.09 0.00 -0.64 -0.69 0.02 0.00 0.00 177.57 177.35 2dnc s VAL 66 N -5.55 4.16 0.76 2.57 1.01 -0.45 -4.98 120.40 117.91 2dnc s VAL 66 Ca -0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2dnc s VAL 66 Cb 0.11 -2.92 0.17 0.00 0.00 0.00 0.00 36.38 33.75 2dnc s VAL 66 CO 0.63 0.38 1.03 -0.62 0.00 0.00 0.00 175.10 176.52 2dnc n GLU 67 N 4.64 -0.89 -1.31 2.72 -0.58 -1.26 -4.83 120.64 119.13 2dnc n GLU 67 Ca -0.17 -1.73 -0.29 0.00 -0.42 0.00 0.00 57.16 54.56 2dnc n GLU 67 Cb 0.51 -1.02 0.17 0.00 -0.57 0.00 0.00 31.44 30.53 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 -5.23 0.46 0.00 3.49 -1.05 -1.26 -3.71 118.70 111.40 2dnc s GLU 68 Ca 0.60 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 2dnc s GLU 68 Cb -0.02 -1.76 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 2dnc s GLU 68 CO 0.41 -2.67 0.00 0.41 0.95 0.00 0.00 175.26 174.37 2dnc n GLY 69 N -1.54 0.76 3.53 -3.83 0.00 -0.56 -4.96 105.19 98.59 2dnc n GLY 69 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.69 6.37 0.69 1.61 0.01 -1.21 -4.96 113.70 113.51 2dnc s SER 70 Ca 0.00 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 2dnc s SER 70 Cb 0.00 -2.42 0.10 0.00 0.21 0.00 0.00 66.02 63.91 2dnc s SER 70 CO 0.00 -1.14 0.96 -0.54 0.41 0.00 0.00 173.24 172.93 2dnc s LYS 71 N 3.76 1.90 -0.42 12.44 -0.14 -1.26 -1.24 119.74 134.77 2dnc s LYS 71 Ca 0.30 -0.91 -0.35 0.00 -1.36 0.00 0.00 55.97 53.66 2dnc s LYS 71 Cb -0.12 -2.33 0.05 0.00 -1.68 0.00 0.00 37.83 33.75 2dnc s LYS 71 CO 0.20 -1.29 0.62 0.09 -0.76 0.00 0.00 175.35 174.21 2dnc n ASN 72 N -2.77 -5.84 -4.08 2.83 3.02 -0.54 -4.88 115.26 103.00 2dnc n ASN 72 Ca 0.12 -0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.28 2dnc n ASN 72 Cb 0.60 -2.07 -0.11 0.00 -0.61 0.00 0.00 39.78 37.60 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 -1.56 3.47 0.97 2.41 -1.09 0.48 -4.83 121.20 121.05 2dnc s ILE 73 Ca 0.35 -2.81 -0.15 0.00 -2.23 0.00 0.00 60.65 55.81 2dnc s ILE 73 Cb -0.04 -3.30 -0.06 0.00 -1.58 0.00 0.00 42.46 37.47 2dnc s ILE 73 CO 0.82 -0.83 -0.22 0.54 -1.23 0.00 0.00 174.94 174.02 2dnc n ARG 74 N 3.67 -0.13 -2.05 2.79 1.74 -1.26 -0.42 116.66 121.01 2dnc n ARG 74 Ca 0.05 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 2dnc n ARG 74 Cb 0.38 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 3.61 3.40 -1.16 0.55 1.43 -1.24 -3.86 118.68 121.41 2dnc s LEU 75 Ca 0.48 1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 55.09 2dnc s LEU 75 Cb -0.20 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.53 2dnc s LEU 75 CO 0.75 -0.88 0.62 0.61 0.23 0.00 0.00 176.35 177.68 2dnc n GLY 76 N -2.00 -0.23 3.46 -3.19 0.00 -1.22 -4.94 105.19 97.07 2dnc n GLY 76 Ca 0.07 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.93 4.03 -0.24 1.61 0.01 -1.25 -4.87 113.70 110.06 2dnc s SER 77 Ca 0.31 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 2dnc s SER 77 Cb -0.13 -1.00 -0.00 0.00 0.21 0.00 0.00 66.02 65.10 2dnc s SER 77 CO 0.38 0.31 1.22 -0.76 0.41 0.00 0.00 173.24 174.80 2dnc s LEU 78 N -0.53 4.04 -0.02 2.44 1.43 -1.26 -2.19 118.68 122.60 2dnc s LEU 78 Ca 0.07 1.41 0.14 0.00 -1.03 0.00 0.00 54.13 54.72 2dnc s LEU 78 Cb -0.12 -3.54 -0.21 0.00 0.03 0.00 0.00 46.19 42.36 2dnc s LEU 78 CO 0.01 -0.87 0.37 2.30 0.23 0.00 0.00 176.35 178.39 2dnc n ILE 79 N 5.71 0.00 0.00 -0.59 -5.35 -0.80 -4.39 119.36 113.94 2dnc n ILE 79 Ca 0.14 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2dnc n ILE 79 Cb 0.46 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 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 1.62 1.20 3.49 3.28 0.00 -1.25 -1.35 105.19 112.18 2dnc n GLY 80 Ca -0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 2.70 0.10 0.99 0.20 -1.00 -0.15 118.68 121.52 2dnc s LEU 81 Ca 0.00 -0.60 0.08 0.00 0.69 0.00 0.00 54.13 54.30 2dnc s LEU 81 Cb 0.00 -1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 2dnc s LEU 81 CO 0.00 0.16 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.45 2dnc s ILE 82 N -1.25 3.05 -0.04 6.68 1.01 0.13 -1.93 121.20 128.85 2dnc s ILE 82 Ca 0.19 -1.37 0.01 0.00 0.00 0.00 0.00 60.65 59.48 2dnc s ILE 82 Cb -0.10 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2dnc s ILE 82 CO 0.11 0.13 -0.06 0.68 0.00 0.00 0.00 174.94 175.80 2dnc s VAL 83 N -1.15 0.61 -0.27 2.92 -7.23 -0.51 -1.55 120.40 113.23 2dnc s VAL 83 Ca 0.19 -0.18 -0.43 0.00 -1.81 0.00 0.00 61.98 59.74 2dnc s VAL 83 Cb -0.11 -0.61 -0.19 0.00 0.56 0.00 0.00 36.38 36.03 2dnc s VAL 83 CO 0.11 0.23 1.45 -0.62 -0.31 0.00 0.00 175.10 175.97 2dnc n GLU 84 N 3.89 0.31 -1.60 4.82 1.02 -1.26 -0.15 120.64 127.67 2dnc n GLU 84 Ca -0.24 0.11 -0.63 0.00 -0.02 0.00 0.00 57.16 56.39 2dnc n GLU 84 Cb 0.51 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 2dnc n GLU 84 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2dnc n GLU 85 N 3.41 0.00 0.00 3.49 2.13 -1.26 -0.77 120.64 127.63 2dnc n GLU 85 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2dnc n GLU 85 Cb 0.04 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.25 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dnc n GLY 86 N 2.55 3.01 3.73 8.31 0.00 -1.26 -5.02 105.19 116.50 2dnc n GLY 86 Ca 0.25 -0.80 -0.63 0.00 0.00 0.00 0.00 46.02 44.84 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 0.55 -1.51 1.61 1.02 0.05 -4.56 120.64 117.80 2dnc n GLU 87 Ca 0.00 0.20 -0.37 0.00 -0.02 0.00 0.00 57.16 56.97 2dnc n GLU 87 Cb 0.00 -1.79 -0.15 0.00 -0.02 0.00 0.00 31.44 29.48 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2dnc n ASP 88 N 4.63 0.25 -0.03 1.62 5.75 -1.26 -4.72 116.55 122.79 2dnc n ASP 88 Ca 0.29 -0.02 -0.15 0.00 -0.01 0.00 0.00 54.79 54.90 2dnc n ASP 88 Cb 0.03 -0.94 -0.12 0.00 -1.03 0.00 0.00 41.12 39.06 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2dnc h TRP 89 N 12.59 0.16 0.12 2.11 5.08 -1.91 -3.35 115.95 130.74 2dnc h TRP 89 Ca -0.05 -0.09 0.00 0.00 1.08 0.00 0.00 58.89 59.82 2dnc h TRP 89 Cb 1.27 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.40 2dnc h TRP 89 CO 1.12 0.94 -0.23 -0.22 -1.28 0.00 0.00 178.44 178.77 2dnc h LYS 90 N -0.66 -0.37 0.00 0.12 3.64 -1.88 -3.48 116.57 113.94 2dnc h LYS 90 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dnc h LYS 90 Cb 1.00 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2dnc h LYS 90 CO 0.03 -0.24 0.00 1.58 -2.27 0.00 0.00 179.45 178.55 2dnc n HIS 91 N -3.77 -2.56 0.06 1.91 -0.00 -1.26 -5.04 115.22 104.57 2dnc n HIS 91 Ca -0.04 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.56 2dnc n HIS 91 Cb 0.19 1.32 0.00 0.00 -0.12 0.00 0.00 29.99 31.39 2dnc n HIS 91 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2dnc n VAL 92 N -2.74 0.53 -2.22 3.57 0.31 -1.26 -4.82 118.33 111.70 2dnc n VAL 92 Ca 0.00 0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.50 2dnc n VAL 92 Cb 0.00 -1.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 2dnc n VAL 92 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2dnc n SER 93 N -3.22 -7.21 -3.85 4.52 7.64 -1.26 -4.69 113.62 105.56 2dnc n SER 93 Ca 0.00 1.55 -0.26 0.00 1.01 0.00 0.00 58.87 61.17 2dnc n SER 93 Cb 0.00 -4.67 0.19 0.00 -1.01 0.00 0.00 64.21 58.72 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 1.57 -2.72 0.11 0.23 0.00 -1.26 -4.95 105.19 98.16 2dnc n GLY 94 Ca -0.06 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.66 -0.13 -6.05 1.61 0.13 -2.07 -3.44 132.00 119.39 2dnc h PRO 95 Ca -0.41 0.01 -0.81 0.00 -0.87 0.00 0.00 66.00 63.92 2dnc h PRO 95 Cb 1.12 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2dnc h PRO 95 CO 0.28 0.36 0.86 0.45 -0.23 0.00 0.00 178.00 179.73 2dnc n SER 96 N -4.84 1.65 -3.94 1.44 2.88 -1.26 -4.92 113.62 104.62 2dnc n SER 96 Ca -0.07 1.07 -0.18 0.00 -1.33 0.00 0.00 58.87 58.35 2dnc n SER 96 Cb 0.28 -0.99 -0.15 0.00 -0.75 0.00 0.00 64.21 62.59 2dnc n SER 96 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnc s SER 97 N 3.69 0.86 0.00 -3.46 0.15 -1.26 -5.17 113.70 108.50 2dnc s SER 97 Ca 1.04 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2dnc s SER 97 Cb -1.31 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2dnc s SER 97 CO 0.73 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.80