#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ror n SER 2 N 0.00 5.93 -4.69 1.61 3.41 -1.26 -4.92 113.62 113.70 2ror n SER 2 Ca 0.00 -3.77 -0.44 0.00 -0.26 0.00 0.00 58.87 54.40 2ror n SER 2 Cb 0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 2ror n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ror n SER 3 N -0.71 3.12 -1.30 4.04 7.64 -1.26 -4.99 113.62 120.16 2ror n SER 3 Ca 0.49 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.49 2ror n SER 3 Cb 0.76 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2ror n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ror n GLY 4 N 2.65 -2.63 3.64 0.23 0.00 -1.26 -5.10 105.19 102.72 2ror n GLY 4 Ca 0.13 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2ror n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ror s SER 5 N -1.81 0.22 -0.14 1.61 0.01 -1.26 -5.09 113.70 107.24 2ror s SER 5 Ca 0.00 -1.12 -0.20 0.00 1.31 0.00 0.00 55.95 55.94 2ror s SER 5 Cb 0.00 0.69 -0.18 0.00 0.21 0.00 0.00 66.02 66.75 2ror s SER 5 CO 0.00 -1.35 0.44 0.77 0.41 0.00 0.00 173.24 173.51 2ror h SER 6 N 2.12 0.00 0.00 2.44 4.64 -2.00 -3.47 113.55 117.28 2ror h SER 6 Ca -0.27 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 2ror h SER 6 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ror h SER 6 CO 0.36 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 2ror n GLY 7 N 1.62 2.36 2.51 -0.77 0.00 -1.26 -4.71 105.19 104.94 2ror n GLY 7 Ca -0.12 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 2ror n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ror n LYS 8 N 8.83 -1.90 -3.73 1.61 2.85 -1.26 -4.80 118.16 119.75 2ror n LYS 8 Ca 0.00 0.03 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2ror n LYS 8 Cb 0.00 -3.28 -0.08 0.00 -0.65 0.00 0.00 35.03 31.02 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ror s ALA 9 N -1.82 -0.85 -0.28 0.58 0.00 -1.26 -5.16 121.76 112.96 2ror s ALA 9 Ca 0.20 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.30 2ror s ALA 9 Cb -0.12 0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.27 2ror s ALA 9 CO 0.24 -0.32 0.84 -1.83 0.00 0.00 0.00 175.76 174.68 2ror s GLU 10 N -1.73 0.55 -0.24 0.00 -1.05 -1.26 -5.17 118.70 109.80 2ror s GLU 10 Ca -0.10 0.93 -0.27 0.00 -0.15 0.00 0.00 54.97 55.37 2ror s GLU 10 Cb -0.03 0.13 0.14 0.00 -0.44 0.00 0.00 34.13 33.92 2ror s GLU 10 CO 0.02 -0.11 1.09 0.00 0.95 0.00 0.00 175.26 177.21 2ror s ALA 11 N 1.38 -2.00 -0.23 -0.84 0.00 -1.26 -5.18 121.76 113.64 2ror s ALA 11 Ca -0.09 1.75 -0.26 0.00 0.00 0.00 0.00 51.96 53.36 2ror s ALA 11 Cb -0.04 -1.22 0.08 0.00 0.00 0.00 0.00 23.12 21.94 2ror s ALA 11 CO -0.16 -0.25 0.78 -1.83 0.00 0.00 0.00 175.76 174.31 2ror s GLU 12 N -0.39 0.80 0.18 0.00 1.03 -1.26 -5.18 118.70 113.89 2ror s GLU 12 Ca 0.02 0.76 0.04 0.00 0.03 0.00 0.00 54.97 55.83 2ror s GLU 12 Cb -0.03 0.39 -0.05 0.00 -0.80 0.00 0.00 34.13 33.64 2ror s GLU 12 CO -0.05 -0.14 -0.07 -0.65 -1.33 0.00 0.00 175.26 173.03 2ror s GLN 13 N 0.02 1.18 -0.27 -4.83 -0.21 -1.26 -5.14 119.66 109.15 2ror s GLN 13 Ca -0.01 -1.54 0.01 0.00 0.02 0.00 0.00 55.36 53.84 2ror s GLN 13 Cb -0.04 -0.64 0.07 0.00 1.00 0.00 0.00 33.01 33.40 2ror s GLN 13 CO 0.01 0.01 -0.02 0.54 -2.12 0.00 0.00 175.29 173.72 2ror s ASN 14 N -3.23 4.12 -0.27 5.90 2.20 -1.26 -4.97 114.94 117.44 2ror s ASN 14 Ca 0.21 -1.46 0.15 0.00 -0.94 0.00 0.00 52.86 50.82 2ror s ASN 14 Cb 0.04 -1.27 0.48 0.00 -2.00 0.00 0.00 41.25 38.50 2ror s ASN 14 CO 0.04 -0.28 1.15 0.79 -2.94 0.00 0.00 177.10 175.86 2ror n TRP 15 N 4.58 1.92 -2.89 1.54 7.02 -1.26 -5.01 117.44 123.35 2ror n TRP 15 Ca -0.08 -2.11 -0.43 0.00 -1.02 0.00 0.00 57.50 53.86 2ror n TRP 15 Cb 0.43 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 29.01 2ror n TRP 15 CO 0.00 0.00 0.00 1.67 -2.02 0.00 0.00 177.69 177.34 2ror s TRP 16 N -3.58 2.88 -0.50 -5.99 -2.14 -1.26 -4.87 118.94 103.48 2ror s TRP 16 Ca 0.39 -0.95 0.03 0.00 2.66 0.00 0.00 56.10 58.24 2ror s TRP 16 Cb 0.37 -4.29 0.43 0.00 -3.10 0.00 0.00 33.47 26.88 2ror s TRP 16 CO -0.01 -1.57 1.50 0.39 -2.66 0.00 0.00 176.95 174.60 2ror n GLU 17 N 7.18 3.22 -3.26 3.25 1.02 -1.26 -4.93 120.64 125.86 2ror n GLU 17 Ca 0.09 -3.95 -0.12 0.00 -0.02 0.00 0.00 57.16 53.16 2ror n GLU 17 Cb 0.47 -2.27 0.04 0.00 -0.02 0.00 0.00 31.44 29.66 2ror n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 18 N -0.67 -1.18 3.77 0.62 0.00 -1.26 -4.97 105.19 101.50 2ror n GLY 18 Ca 0.49 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.71 2ror n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 19 N -4.12 2.91 0.72 1.61 0.04 -1.26 -5.05 135.00 129.86 2ror s PRO 19 Ca 0.28 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 2ror s PRO 19 Cb -0.05 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.71 2ror s PRO 19 CO 0.76 -1.17 0.64 -0.35 0.04 0.00 0.00 177.00 176.93 2ror n PRO 20 N -2.19 -2.28 -1.07 0.56 -0.04 -1.26 -4.77 135.00 123.95 2ror n PRO 20 Ca 0.11 -1.02 -0.50 0.00 -0.04 0.00 0.00 63.50 62.04 2ror n PRO 20 Cb 0.52 -0.96 -0.10 0.00 -0.04 0.00 0.00 33.50 32.91 2ror n PRO 20 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ror n GLN 21 N -3.47 0.00 -4.06 0.54 7.27 -1.26 -4.89 117.38 111.50 2ror n GLN 21 Ca 0.09 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.06 2ror n GLN 21 Cb 0.35 -1.27 -0.11 0.00 2.41 0.00 0.00 30.24 31.62 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2ror s ASP 22 N 5.24 0.60 0.61 1.69 1.01 -1.26 -5.01 116.67 119.55 2ror s ASP 22 Ca 1.02 -0.75 0.27 0.00 0.71 0.00 0.00 52.55 53.81 2ror s ASP 22 Cb -1.26 0.12 1.06 0.00 1.01 0.00 0.00 42.92 43.85 2ror s ASP 22 CO 0.55 -0.40 1.45 -0.07 0.21 0.00 0.00 175.17 176.92 2ror h LEU 23 N 3.88 0.00 -0.95 1.23 3.38 -1.96 0.16 115.31 121.05 2ror h LEU 23 Ca -0.34 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.88 2ror h LEU 23 Cb 1.18 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 2ror h LEU 23 CO 0.53 0.00 0.48 -1.28 0.09 0.00 0.00 178.44 178.25 2ror h SER 24 N 0.00 0.44 -1.63 -0.43 0.87 -1.95 0.22 113.55 111.07 2ror h SER 24 Ca 0.41 0.16 0.50 0.00 -1.23 0.00 0.00 61.79 61.63 2ror h SER 24 Cb 2.45 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 64.43 2ror h SER 24 CO -0.00 -0.02 1.13 -0.37 -0.53 0.00 0.00 176.83 177.04 2ror h VAL 25 N 0.42 0.08 -3.95 2.23 -1.51 -1.04 -3.39 116.25 109.08 2ror h VAL 25 Ca 0.62 -0.01 -0.47 0.00 -1.23 0.00 0.00 66.70 65.62 2ror h VAL 25 Cb 1.26 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 2ror h VAL 25 CO -0.54 0.00 0.37 -1.00 -1.23 0.00 0.00 177.57 175.17 2ror s HIS 26 N -5.05 3.46 -0.67 5.19 4.02 0.75 -4.90 115.29 118.09 2ror s HIS 26 Ca -0.06 1.70 0.05 0.00 1.02 0.00 0.00 55.06 57.77 2ror s HIS 26 Cb 0.28 -2.98 0.28 0.00 -1.02 0.00 0.00 32.58 29.14 2ror s HIS 26 CO 0.86 -0.15 1.10 -0.11 1.02 0.00 0.00 174.74 177.46 2ror n LEU 27 N 0.09 0.13 -3.97 0.89 7.94 -1.26 -4.33 117.00 116.50 2ror n LEU 27 Ca 0.04 0.51 -0.24 0.00 -1.11 0.00 0.00 56.01 55.21 2ror n LEU 27 Cb 0.51 -0.52 -0.17 0.00 0.53 0.00 0.00 43.42 43.77 2ror n LEU 27 CO 0.43 -0.55 -0.45 -1.66 -1.11 0.00 0.00 177.39 174.05 2ror s TRP 28 N -3.04 1.31 0.02 1.96 1.48 -1.26 -2.36 118.94 117.06 2ror s TRP 28 Ca -0.01 -0.51 -0.13 0.00 -1.06 0.00 0.00 56.10 54.39 2ror s TRP 28 Cb 0.01 -1.02 0.02 0.00 -1.16 0.00 0.00 33.47 31.32 2ror s TRP 28 CO 0.05 -0.31 0.27 -0.47 -4.06 0.00 0.00 176.95 172.42 2ror s TYR 29 N 0.97 -0.08 -0.25 1.66 5.04 -1.26 -4.71 117.35 118.72 2ror s TYR 29 Ca -0.09 -0.01 -0.03 0.00 -2.44 0.00 0.00 57.07 54.50 2ror s TYR 29 Cb -0.15 0.06 0.14 0.00 0.35 0.00 0.00 41.96 42.36 2ror s TYR 29 CO 0.00 -0.44 0.44 0.00 -1.34 0.00 0.00 175.55 174.21 2ror s ALA 30 N -2.14 -1.38 0.89 3.97 0.00 0.67 -4.54 121.76 119.22 2ror s ALA 30 Ca -0.08 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2ror s ALA 30 Cb -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2ror s ALA 30 CO -0.01 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2ror n GLY 31 N 5.38 -2.79 0.00 0.00 0.00 -1.26 -3.76 105.19 102.76 2ror n GLY 31 Ca -0.04 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.12 2ror n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ror n PRO 32 N 0.00 0.49 -1.32 1.61 -0.04 -1.26 -3.50 135.00 130.98 2ror n PRO 32 Ca 0.00 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.99 2ror n PRO 32 Cb 0.00 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 2ror n PRO 32 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ror n MET 33 N -0.82 0.00 -2.50 0.54 1.56 -1.26 -4.90 117.12 109.75 2ror n MET 33 Ca 0.07 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.27 2ror n MET 33 Cb 0.03 -1.02 0.09 0.00 2.15 0.00 0.00 33.22 34.47 2ror n MET 33 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2ror s GLU 34 N -0.74 1.91 0.04 2.12 -1.05 -1.26 -4.76 118.70 114.95 2ror s GLU 34 Ca 0.65 -0.85 -0.10 0.00 -0.15 0.00 0.00 54.97 54.52 2ror s GLU 34 Cb -0.93 -2.31 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 2ror s GLU 34 CO 0.52 -1.29 1.16 -0.09 0.95 0.00 0.00 175.26 176.51 2ror h ARG 35 N -0.46 -0.09 -1.06 -4.83 1.12 -1.99 0.14 114.38 107.21 2ror h ARG 35 Ca -0.40 0.01 0.31 0.00 -1.11 0.00 0.00 59.98 58.79 2ror h ARG 35 Cb 1.28 0.02 -0.13 0.00 -0.01 0.00 0.00 29.97 31.13 2ror h ARG 35 CO 0.46 -0.06 0.64 0.00 -3.11 0.00 0.00 179.97 177.90 2ror h ALA 36 N -0.84 2.11 -0.56 2.80 0.00 -2.01 0.51 119.26 121.26 2ror h ALA 36 Ca 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ror h ALA 36 Cb 0.17 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ror h ALA 36 CO -0.20 -0.66 0.22 0.78 0.00 0.00 0.00 179.25 179.40 2ror h GLY 37 N 0.35 0.87 0.82 0.00 0.00 -1.14 -3.09 103.07 100.88 2ror h GLY 37 Ca 0.70 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2ror h GLY 37 CO -0.49 0.42 -0.31 0.00 0.00 0.00 0.00 176.54 176.16 2ror h ALA 38 N 1.44 -0.87 -0.98 3.60 0.00 0.13 -3.05 119.26 119.53 2ror h ALA 38 Ca 0.19 -0.21 0.32 0.00 0.00 0.00 0.00 54.91 55.21 2ror h ALA 38 Cb 0.16 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 2ror h ALA 38 CO -0.02 -0.90 0.30 0.93 0.00 0.00 0.00 179.25 179.56 2ror h GLU 39 N -1.07 0.07 -0.84 0.00 5.08 -1.45 0.79 114.58 117.16 2ror h GLU 39 Ca -0.09 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.42 2ror h GLU 39 Cb 0.71 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 2ror h GLU 39 CO 0.15 0.04 0.41 1.03 -1.00 0.00 0.00 179.01 179.64 2ror h SER 40 N 0.07 0.48 0.00 1.42 0.87 -1.45 0.75 113.55 115.68 2ror h SER 40 Ca 0.69 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.35 2ror h SER 40 Cb 1.62 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2ror h SER 40 CO -0.79 0.19 0.00 -0.38 -0.53 0.00 0.00 176.83 175.31 2ror n ILE 41 N -4.90 0.00 0.29 2.23 5.41 0.27 -2.88 119.36 119.78 2ror n ILE 41 Ca 0.17 1.08 0.13 0.00 1.00 0.00 0.00 62.75 65.13 2ror n ILE 41 Cb 0.45 -2.01 0.70 0.00 -0.71 0.00 0.00 39.64 38.07 2ror n ILE 41 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ror h LEU 42 N 0.00 0.00 -0.87 1.39 -0.00 -1.44 0.29 115.31 114.67 2ror h LEU 42 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 2ror h LEU 42 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2ror h LEU 42 CO 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 178.44 178.02 2ror h ALA 43 N 1.33 1.04 0.07 1.53 0.00 0.60 -3.27 119.26 120.56 2ror h ALA 43 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 54.91 54.12 2ror h ALA 43 Cb 0.62 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2ror h ALA 43 CO 0.00 0.61 -2.12 0.09 0.00 0.00 0.00 179.25 177.82 2ror n ASN 44 N -4.02 1.80 -3.11 0.00 3.02 0.91 -4.96 115.26 108.91 2ror n ASN 44 Ca -0.02 0.12 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 2ror n ASN 44 Cb 0.49 -0.52 0.15 0.00 -0.61 0.00 0.00 39.78 39.29 2ror n ASN 44 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ror n ARG 45 N -3.32 -3.34 -1.73 3.52 5.12 -0.62 -5.01 116.66 111.28 2ror n ARG 45 Ca -0.34 -0.79 -0.29 0.00 -1.93 0.00 0.00 57.85 54.49 2ror n ARG 45 Cb 1.04 -0.98 0.14 0.00 -1.16 0.00 0.00 32.46 31.50 2ror n ARG 45 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2ror s SER 46 N -2.65 3.53 -0.29 0.55 0.01 -1.26 -4.95 113.70 108.63 2ror s SER 46 Ca 0.36 0.69 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 2ror s SER 46 Cb -0.06 -1.06 -0.00 0.00 0.21 0.00 0.00 66.02 65.11 2ror s SER 46 CO 0.29 -2.51 1.36 1.51 0.41 0.00 0.00 173.24 174.31 2ror s ASP 47 N -4.44 6.60 0.00 2.44 -4.77 -1.26 -2.94 116.67 112.31 2ror s ASP 47 Ca 0.66 1.25 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 2ror s ASP 47 Cb -0.10 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 2ror s ASP 47 CO 0.52 -1.13 0.00 0.61 0.70 0.00 0.00 175.17 175.87 2ror n GLY 48 N 4.42 1.01 3.72 2.12 0.00 -0.60 -4.91 105.19 110.95 2ror n GLY 48 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2ror n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ror s THR 49 N -2.00 2.61 0.26 2.61 2.01 -1.15 -1.22 115.64 118.76 2ror s THR 49 Ca 0.00 0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 2ror s THR 49 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.01 2ror s THR 49 CO 0.00 -0.24 0.53 0.72 -0.69 0.00 0.00 174.62 174.93 2ror s PHE 50 N -2.64 0.30 0.32 4.92 -0.71 0.35 -1.45 117.98 119.08 2ror s PHE 50 Ca 0.66 -0.69 -0.19 0.00 -1.04 0.00 0.00 56.93 55.67 2ror s PHE 50 Cb -0.21 0.28 0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2ror s PHE 50 CO 0.55 -1.06 0.78 -0.48 -1.34 0.00 0.00 175.22 173.67 2ror s LEU 51 N -3.02 -0.12 -0.16 -1.99 0.05 -0.51 -0.77 118.68 112.16 2ror s LEU 51 Ca 0.21 -0.85 -0.01 0.00 0.05 0.00 0.00 54.13 53.54 2ror s LEU 51 Cb -0.02 2.72 0.04 0.00 -2.05 0.00 0.00 46.19 46.88 2ror s LEU 51 CO 0.09 -1.46 -0.05 -0.69 -0.55 0.00 0.00 176.35 173.70 2ror s VAL 52 N -3.06 1.07 0.23 1.48 1.01 -1.26 -2.83 120.40 117.03 2ror s VAL 52 Ca 0.14 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.63 2ror s VAL 52 Cb -0.05 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2ror s VAL 52 CO 0.09 0.12 -0.21 0.00 0.00 0.00 0.00 175.10 175.10 2ror s ARG 53 N 1.65 1.64 0.22 2.72 1.70 -0.93 -0.24 118.95 125.71 2ror s ARG 53 Ca 0.01 -1.61 0.05 0.00 -0.47 0.00 0.00 55.73 53.71 2ror s ARG 53 Cb -0.15 -1.84 -0.03 0.00 -0.57 0.00 0.00 34.95 32.35 2ror s ARG 53 CO -0.08 0.37 0.33 -1.14 -1.08 0.00 0.00 175.30 173.71 2ror s GLN 54 N -3.05 3.39 0.48 3.89 0.74 -1.23 -0.31 119.66 123.58 2ror s GLN 54 Ca 0.25 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.93 2ror s GLN 54 Cb -0.07 -2.88 0.01 0.00 1.10 0.00 0.00 33.01 31.18 2ror s GLN 54 CO 0.12 0.45 0.69 1.03 -0.55 0.00 0.00 175.29 177.03 2ror s ARG 55 N -3.81 2.82 -0.19 1.67 0.52 -1.20 -4.77 118.95 113.99 2ror s ARG 55 Ca 0.34 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 2ror s ARG 55 Cb -0.09 -2.57 -0.16 0.00 0.52 0.00 0.00 34.95 32.64 2ror s ARG 55 CO 0.28 -0.43 -0.10 0.28 0.02 0.00 0.00 175.30 175.36 2ror n VAL 56 N -2.13 1.17 0.00 3.52 0.31 -1.26 -4.57 118.33 115.37 2ror n VAL 56 Ca 0.05 -0.54 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 2ror n VAL 56 Cb 0.59 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.50 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ror h LYS 57 N 0.00 -0.26 -4.13 5.55 1.79 -2.01 -3.40 116.57 114.11 2ror h LYS 57 Ca -0.46 0.02 -0.52 0.00 -2.18 0.00 0.00 60.65 57.51 2ror h LYS 57 Cb 1.83 0.06 -0.37 0.00 -1.58 0.00 0.00 32.23 32.16 2ror h LYS 57 CO -0.04 -0.18 -0.80 0.34 -1.08 0.00 0.00 179.45 177.70 2ror s ASP 58 N -5.00 2.24 0.12 0.86 -1.08 -1.26 -5.04 116.67 107.51 2ror s ASP 58 Ca -0.15 -0.35 -0.31 0.00 -0.52 0.00 0.00 52.55 51.22 2ror s ASP 58 Cb 0.11 -0.80 -0.10 0.00 -1.46 0.00 0.00 42.92 40.66 2ror s ASP 58 CO 0.67 -0.14 1.52 0.00 0.52 0.00 0.00 175.17 177.73 2ror h ALA 59 N 8.19 -0.76 -0.14 3.66 0.00 -1.80 -3.16 119.26 125.24 2ror h ALA 59 Ca -0.27 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.21 2ror h ALA 59 Cb 1.13 1.11 0.04 0.00 0.00 0.00 0.00 17.79 20.06 2ror h ALA 59 CO 0.39 -1.01 1.28 0.00 0.00 0.00 0.00 179.25 179.91 2ror n ALA 60 N -3.06 1.67 -3.59 0.00 0.00 -1.26 -4.70 120.51 109.58 2ror n ALA 60 Ca -0.03 -2.87 -0.10 0.00 0.00 0.00 0.00 53.44 50.44 2ror n ALA 60 Cb 0.32 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.15 2ror n ALA 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ror s GLU 61 N 6.60 0.56 0.30 0.00 2.56 -1.19 -4.46 118.70 123.06 2ror s GLU 61 Ca 0.68 0.24 0.03 0.00 0.00 0.00 0.00 54.97 55.92 2ror s GLU 61 Cb 0.07 0.27 -0.03 0.00 2.00 0.00 0.00 34.13 36.44 2ror s GLU 61 CO 0.19 -0.15 0.28 -0.06 -0.56 0.00 0.00 175.26 174.96 2ror s PHE 62 N -0.80 1.45 0.07 5.30 0.08 -1.25 -3.21 117.98 119.61 2ror s PHE 62 Ca -0.00 -1.50 -0.13 0.00 0.12 0.00 0.00 56.93 55.41 2ror s PHE 62 Cb -0.01 -0.54 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2ror s PHE 62 CO -0.00 -0.86 0.30 0.00 -0.10 0.00 0.00 175.22 174.56 2ror s ALA 63 N -3.58 -0.65 -0.28 5.36 0.00 0.58 -0.08 121.76 123.12 2ror s ALA 63 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2ror s ALA 63 Cb 0.03 0.43 0.08 0.00 0.00 0.00 0.00 23.12 23.66 2ror s ALA 63 CO 0.22 -0.48 0.04 0.42 0.00 0.00 0.00 175.76 175.96 2ror s ILE 64 N -3.05 1.22 -0.15 0.00 1.01 0.80 -2.19 121.20 118.85 2ror s ILE 64 Ca -0.01 -1.39 -0.08 0.00 0.00 0.00 0.00 60.65 59.16 2ror s ILE 64 Cb 0.01 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2ror s ILE 64 CO -0.07 -0.45 0.14 -0.55 0.00 0.00 0.00 174.94 174.01 2ror s SER 65 N 1.48 6.33 -0.00 3.58 0.15 -1.13 -0.90 113.70 123.21 2ror s SER 65 Ca 0.04 0.39 -0.03 0.00 0.70 0.00 0.00 55.95 57.06 2ror s SER 65 Cb -0.18 -2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2ror s SER 65 CO -0.15 0.33 0.05 -0.51 1.20 0.00 0.00 173.24 174.16 2ror s ILE 66 N -0.54 0.06 -0.10 6.45 -1.16 -0.86 -1.43 121.20 123.61 2ror s ILE 66 Ca 0.13 -0.47 -0.15 0.00 -0.51 0.00 0.00 60.65 59.65 2ror s ILE 66 Cb -0.12 -0.24 -0.05 0.00 0.61 0.00 0.00 42.46 42.67 2ror s ILE 66 CO 0.02 -0.26 0.36 -0.75 -2.81 0.00 0.00 174.94 171.50 2ror s LYS 67 N -0.81 4.14 -0.27 3.50 2.47 -0.53 0.03 119.74 128.26 2ror s LYS 67 Ca -0.09 0.26 -0.26 0.00 -1.56 0.00 0.00 55.97 54.32 2ror s LYS 67 Cb -0.05 -3.36 0.16 0.00 -1.46 0.00 0.00 37.83 33.12 2ror s LYS 67 CO 0.00 0.37 1.25 -0.47 0.16 0.00 0.00 175.35 176.66 2ror s TYR 68 N 0.01 -0.22 -0.96 4.03 5.04 -0.32 -1.56 117.35 123.36 2ror s TYR 68 Ca 0.21 0.51 -0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2ror s TYR 68 Cb -0.14 0.44 -0.00 0.00 0.35 0.00 0.00 41.96 42.61 2ror s TYR 68 CO 0.08 -0.13 0.80 -1.71 -1.34 0.00 0.00 175.55 173.25 2ror n ASN 69 N 1.52 -2.25 -1.83 4.32 4.05 -1.26 -2.25 115.26 117.56 2ror n ASN 69 Ca -0.09 -0.50 -0.07 0.00 0.45 0.00 0.00 54.58 54.36 2ror n ASN 69 Cb 0.57 -4.24 -0.02 0.00 1.23 0.00 0.00 39.78 37.33 2ror n ASN 69 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2ror n VAL 70 N -3.49 -0.17 -3.72 3.44 0.24 -1.26 -4.87 118.33 108.51 2ror n VAL 70 Ca -0.22 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2ror n VAL 70 Cb 0.63 -0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 32.07 2ror n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ror s GLU 71 N -3.80 0.45 -0.23 7.34 0.41 -0.95 -4.93 118.70 116.99 2ror s GLU 71 Ca 0.00 0.62 -0.19 0.00 -0.41 0.00 0.00 54.97 54.99 2ror s GLU 71 Cb 0.00 0.17 -0.03 0.00 -1.78 0.00 0.00 34.13 32.49 2ror s GLU 71 CO 0.00 -0.08 0.56 0.08 -0.49 0.00 0.00 175.26 175.33 2ror s VAL 72 N 0.51 5.05 0.55 2.63 1.01 -1.26 -1.17 120.40 127.72 2ror s VAL 72 Ca -0.02 1.00 0.03 0.00 0.00 0.00 0.00 61.98 62.99 2ror s VAL 72 Cb -0.04 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2ror s VAL 72 CO -0.03 0.10 0.77 -0.54 0.00 0.00 0.00 175.10 175.40 2ror s LYS 73 N 2.11 2.44 -0.13 2.72 1.02 0.10 -4.94 119.74 123.08 2ror s LYS 73 Ca 0.24 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.08 2ror s LYS 73 Cb -0.16 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2ror s LYS 73 CO 0.09 -0.75 0.36 -1.01 -0.92 0.00 0.00 175.35 173.12 2ror s HIS 74 N -2.72 -0.38 -0.04 3.18 3.76 -1.26 -2.02 115.29 115.79 2ror s HIS 74 Ca 0.59 0.92 0.05 0.00 -0.15 0.00 0.00 55.06 56.47 2ror s HIS 74 Cb -0.09 0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.73 2ror s HIS 74 CO 0.38 -0.21 -0.19 0.42 -0.85 0.00 0.00 174.74 174.29 2ror s ILE 75 N 0.08 1.60 -0.06 0.60 1.01 -0.07 -4.95 121.20 119.41 2ror s ILE 75 Ca -0.01 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 2ror s ILE 75 Cb -0.03 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 2ror s ILE 75 CO 0.01 0.45 0.31 -0.75 0.00 0.00 0.00 174.94 174.96 2ror s LYS 76 N -0.05 3.83 -0.10 2.79 2.36 -1.26 -0.14 119.74 127.16 2ror s LYS 76 Ca -0.03 0.20 -0.02 0.00 -2.55 0.00 0.00 55.97 53.58 2ror s LYS 76 Cb -0.12 -3.24 -0.03 0.00 -1.05 0.00 0.00 37.83 33.39 2ror s LYS 76 CO 0.02 0.65 -0.03 0.42 1.55 0.00 0.00 175.35 177.96 2ror s ILE 77 N -0.82 4.06 0.05 5.43 1.01 0.89 -4.75 121.20 127.07 2ror s ILE 77 Ca 0.20 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.57 2ror s ILE 77 Cb -0.15 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 2ror s ILE 77 CO 0.09 0.58 -0.10 -0.04 0.00 0.00 0.00 174.94 175.47 2ror s MET 78 N -0.57 2.32 -0.01 2.79 -1.94 -1.23 -3.82 119.30 116.85 2ror s MET 78 Ca 0.09 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2ror s MET 78 Cb -0.12 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.35 2ror s MET 78 CO 0.02 0.56 -0.01 0.95 -0.01 0.00 0.00 175.02 176.52 2ror s THR 79 N -1.07 0.18 0.05 2.05 -4.23 -1.26 -3.38 115.64 107.98 2ror s THR 79 Ca 0.19 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2ror s THR 79 Cb -0.11 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2ror s THR 79 CO 0.10 0.09 0.00 0.00 -0.54 0.00 0.00 174.62 174.27 2ror n ALA 80 N 3.50 3.00 -2.10 3.99 0.00 -1.26 -4.89 120.51 122.74 2ror n ALA 80 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 2ror n ALA 80 Cb 0.55 0.06 0.02 0.00 0.00 0.00 0.00 19.45 20.09 2ror n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ror n GLU 81 N -2.83 3.19 -2.06 0.00 1.02 -1.26 -4.84 120.64 113.86 2ror n GLU 81 Ca 0.00 -4.03 -0.07 0.00 -0.02 0.00 0.00 57.16 53.05 2ror n GLU 81 Cb 0.00 -2.27 -0.00 0.00 -0.02 0.00 0.00 31.44 29.15 2ror n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 82 N -0.59 0.15 3.34 0.62 0.00 -1.26 -5.04 105.19 102.41 2ror n GLY 82 Ca 0.47 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2ror n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ror s LEU 83 N -1.89 2.34 -0.14 0.99 1.43 -1.26 -4.77 118.68 115.37 2ror s LEU 83 Ca 0.00 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2ror s LEU 83 Cb 0.00 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.19 2ror s LEU 83 CO 0.00 0.10 -0.17 -0.31 0.23 0.00 0.00 176.35 176.20 2ror s TYR 84 N -1.29 2.75 -0.27 0.29 1.51 -1.20 -4.02 117.35 115.12 2ror s TYR 84 Ca 0.12 -1.00 -0.24 0.00 -1.01 0.00 0.00 57.07 54.94 2ror s TYR 84 Cb -0.09 -1.85 0.08 0.00 -0.11 0.00 0.00 41.96 39.99 2ror s TYR 84 CO 0.06 -0.43 0.77 -0.98 -1.11 0.00 0.00 175.55 173.86 2ror s ARG 85 N 0.67 0.76 0.11 -0.62 1.70 -1.22 -1.62 118.95 118.73 2ror s ARG 85 Ca -0.08 0.95 0.22 0.00 -0.47 0.00 0.00 55.73 56.35 2ror s ARG 85 Cb -0.16 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 2ror s ARG 85 CO 0.02 -0.10 0.86 0.44 -1.08 0.00 0.00 175.30 175.44 2ror n ILE 86 N 2.77 0.36 -4.17 4.99 -5.35 -1.26 -3.46 119.36 113.24 2ror n ILE 86 Ca -0.14 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 61.70 2ror n ILE 86 Cb 0.56 -0.16 -0.11 0.00 -1.74 0.00 0.00 39.64 38.19 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2ror s THR 87 N -3.39 0.88 0.22 7.28 -4.23 -1.26 -4.99 115.64 110.15 2ror s THR 87 Ca -0.02 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2ror s THR 87 Cb 0.12 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.66 2ror s THR 87 CO 0.83 -0.60 1.67 1.05 -0.54 0.00 0.00 174.62 177.04 2ror h GLU 88 N 3.52 0.85 0.56 3.99 4.11 -2.04 -3.25 114.58 122.33 2ror h GLU 88 Ca -0.37 -0.29 -0.03 0.00 0.07 0.00 0.00 59.36 58.74 2ror h GLU 88 Cb 1.19 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.37 2ror h GLU 88 CO 0.54 0.92 -0.27 0.87 0.07 0.00 0.00 179.01 181.14 2ror h LYS 89 N 0.77 -0.73 -6.88 1.06 1.57 -2.02 -3.44 116.57 106.90 2ror h LYS 89 Ca 0.13 0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 58.49 2ror h LYS 89 Cb 0.61 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2ror h LYS 89 CO 0.04 -0.42 0.20 0.21 -0.57 0.00 0.00 179.45 178.91 2ror s LYS 90 N -4.80 4.08 0.15 3.15 2.47 -1.22 -5.08 119.74 118.48 2ror s LYS 90 Ca -0.14 0.85 -0.17 0.00 -1.56 0.00 0.00 55.97 54.95 2ror s LYS 90 Cb 0.02 -2.32 0.03 0.00 -1.46 0.00 0.00 37.83 34.10 2ror s LYS 90 CO 0.48 0.06 0.44 0.00 0.16 0.00 0.00 175.35 176.49 2ror s ALA 91 N -2.10 -0.94 0.19 3.13 0.00 -1.26 -4.20 121.76 116.58 2ror s ALA 91 Ca 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 2ror s ALA 91 Cb -0.10 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2ror s ALA 91 CO 0.17 -0.69 0.18 -0.06 0.00 0.00 0.00 175.76 175.36 2ror s PHE 92 N -3.82 0.92 -0.14 0.00 0.40 -0.64 -5.00 117.98 109.69 2ror s PHE 92 Ca 0.05 -1.20 -0.15 0.00 -0.60 0.00 0.00 56.93 55.03 2ror s PHE 92 Cb 0.01 -0.39 -0.25 0.00 0.51 0.00 0.00 43.02 42.91 2ror s PHE 92 CO -0.09 -0.68 0.40 0.00 0.70 0.00 0.00 175.22 175.55 2ror h ARG 93 N 2.61 0.18 -4.14 0.44 2.47 -1.92 -3.17 114.38 110.84 2ror h ARG 93 Ca -0.34 -0.30 -0.14 0.00 -1.26 0.00 0.00 59.98 57.94 2ror h ARG 93 Cb 1.24 0.11 -0.17 0.00 -1.65 0.00 0.00 29.97 29.50 2ror h ARG 93 CO 0.51 1.15 -0.69 0.20 0.56 0.00 0.00 179.97 181.70 2ror s GLY 94 N -5.11 0.38 0.29 0.04 0.00 -1.26 -4.28 107.32 97.38 2ror s GLY 94 Ca -0.23 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.56 2ror s GLY 94 CO 0.72 -1.06 1.75 -2.00 0.00 0.00 0.00 173.10 172.50 2ror h LEU 95 N 3.74 0.59 0.03 0.66 5.85 -1.94 -2.35 115.31 121.91 2ror h LEU 95 Ca -0.33 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2ror h LEU 95 Cb 1.17 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2ror h LEU 95 CO 0.56 0.17 -0.09 0.74 -0.34 0.00 0.00 178.44 179.48 2ror h THR 96 N 0.62 0.00 -0.96 1.05 2.02 -1.99 -1.62 112.91 112.02 2ror h THR 96 Ca 0.55 0.00 0.28 0.00 0.77 0.00 0.00 66.41 68.01 2ror h THR 96 Cb 0.91 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.18 2ror h THR 96 CO -0.42 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 175.61 2ror h GLU 97 N -0.14 0.32 -0.85 6.66 4.39 -1.88 0.74 114.58 123.83 2ror h GLU 97 Ca -0.00 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2ror h GLU 97 Cb 0.13 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 2ror h GLU 97 CO -0.04 0.21 0.56 1.25 -1.16 0.00 0.00 179.01 179.83 2ror h LEU 98 N 0.33 0.79 0.00 1.33 6.46 -0.88 0.26 115.31 123.61 2ror h LEU 98 Ca 0.66 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.36 2ror h LEU 98 Cb 1.42 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 2ror h LEU 98 CO -0.60 0.49 -0.43 0.58 -0.62 0.00 0.00 178.44 177.87 2ror h VAL 99 N 0.89 1.24 0.00 1.05 2.07 0.12 -3.04 116.25 118.58 2ror h VAL 99 Ca 0.38 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2ror h VAL 99 Cb 0.32 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2ror h VAL 99 CO -0.15 0.42 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 2ror n GLU 100 N -4.57 0.09 -0.11 1.57 1.02 0.88 -2.33 120.64 117.19 2ror n GLU 100 Ca -0.16 0.22 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 2ror n GLU 100 Cb 0.48 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 2ror n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ror n PHE 101 N -1.28 0.45 -0.25 -0.32 7.35 0.90 -4.36 117.46 119.95 2ror n PHE 101 Ca 0.03 0.16 0.12 0.00 -0.76 0.00 0.00 57.45 57.00 2ror n PHE 101 Cb 0.05 -1.05 0.39 0.00 0.35 0.00 0.00 39.48 39.22 2ror n PHE 101 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2ror h TYR 102 N -0.73 0.78 -0.05 -5.13 0.05 -1.34 0.13 116.97 110.69 2ror h TYR 102 Ca -0.55 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.27 2ror h TYR 102 Cb 1.61 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 39.11 2ror h TYR 102 CO 0.00 0.29 0.40 1.96 -1.05 0.00 0.00 178.16 179.77 2ror h GLN 103 N 0.66 0.00 0.00 4.88 4.20 -1.73 0.33 115.11 123.45 2ror h GLN 103 Ca 0.43 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.84 2ror h GLN 103 Cb 0.72 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 2ror h GLN 103 CO -0.19 0.00 -2.13 1.04 -0.67 0.00 0.00 178.83 176.88 2ror n GLN 104 N -2.94 1.19 -3.82 1.46 3.00 0.41 -4.89 117.38 111.80 2ror n GLN 104 Ca -0.01 0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 2ror n GLN 104 Cb 0.46 -1.42 -0.13 0.00 0.00 0.00 0.00 30.24 29.15 2ror n GLN 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ror s ASN 105 N -5.19 5.03 0.20 1.08 2.20 0.11 -5.07 114.94 113.29 2ror s ASN 105 Ca -0.12 -1.04 -0.32 0.00 -0.94 0.00 0.00 52.86 50.44 2ror s ASN 105 Cb 0.05 -1.80 -0.15 0.00 -2.00 0.00 0.00 41.25 37.35 2ror s ASN 105 CO 0.63 -0.25 1.20 -1.20 -2.94 0.00 0.00 177.10 174.54 2ror n SER 106 N 4.76 1.67 0.32 3.54 7.64 -1.25 -4.52 113.62 125.77 2ror n SER 106 Ca -0.14 1.15 0.20 0.00 1.01 0.00 0.00 58.87 61.09 2ror n SER 106 Cb 0.45 -1.27 1.04 0.00 -1.01 0.00 0.00 64.21 63.42 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ror h LEU 107 N 3.42 0.00 -2.62 -3.43 3.38 -1.57 -0.71 115.31 113.78 2ror h LEU 107 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ror h LEU 107 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2ror h LEU 107 CO 0.70 0.00 0.12 0.07 0.09 0.00 0.00 178.44 179.42 2ror h LYS 108 N 0.00 0.00 -0.94 1.13 2.10 -1.23 -1.47 116.57 116.16 2ror h LYS 108 Ca 0.01 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.75 2ror h LYS 108 Cb 0.24 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.50 2ror h LYS 108 CO -0.00 0.00 0.58 -0.44 -2.00 0.00 0.00 179.45 177.59 2ror h ASP 109 N 0.00 0.89 0.00 7.07 3.32 -1.40 -3.29 116.42 123.01 2ror h ASP 109 Ca 0.00 0.03 -0.45 0.00 0.02 0.00 0.00 57.03 56.63 2ror h ASP 109 Cb 0.24 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 2ror h ASP 109 CO 0.00 0.52 -2.50 0.00 -1.72 0.00 0.00 179.24 175.54 2ror s PHE 111 N -2.50 3.50 -0.23 0.00 0.08 -0.66 -5.03 117.98 113.14 2ror s PHE 111 Ca -0.38 0.60 -0.00 0.00 0.12 0.00 0.00 56.93 57.27 2ror s PHE 111 Cb 0.14 -2.09 -0.19 0.00 -0.57 0.00 0.00 43.02 40.32 2ror s PHE 111 CO 0.48 0.05 -0.11 1.17 -0.10 0.00 0.00 175.22 176.71 2ror n LYS 112 N -1.50 0.67 -0.04 0.44 3.00 -1.26 -4.04 118.16 115.44 2ror n LYS 112 Ca -0.02 0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.35 2ror n LYS 112 Cb 0.55 -1.56 -0.06 0.00 0.00 0.00 0.00 35.03 33.96 2ror n LYS 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2ror h SER 113 N -0.00 0.22 -1.67 3.14 0.87 -1.95 -3.39 113.55 110.77 2ror h SER 113 Ca -0.55 -0.28 -0.48 0.00 -1.23 0.00 0.00 61.79 59.24 2ror h SER 113 Cb 1.92 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.76 2ror h SER 113 CO -0.06 0.45 1.17 -0.76 -0.53 0.00 0.00 176.83 177.09 2ror s LEU 114 N -9.59 3.26 -0.29 2.23 1.43 -1.26 -4.80 118.68 109.66 2ror s LEU 114 Ca -0.14 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 2ror s LEU 114 Cb 0.06 -2.55 0.61 0.00 0.03 0.00 0.00 46.19 44.34 2ror s LEU 114 CO 0.71 -2.16 1.65 -0.67 0.23 0.00 0.00 176.35 176.11 2ror n ASP 115 N 11.43 4.25 -3.32 2.29 2.03 -1.26 -1.05 116.55 130.91 2ror n ASP 115 Ca 0.22 -3.06 -0.17 0.00 0.52 0.00 0.00 54.79 52.30 2ror n ASP 115 Cb 0.50 -0.72 -0.06 0.00 -0.72 0.00 0.00 41.12 40.12 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ror s THR 116 N -2.59 0.00 0.26 5.18 -1.32 -1.26 -4.82 115.64 111.09 2ror s THR 116 Ca 0.46 -1.82 0.02 0.00 -1.21 0.00 0.00 61.69 59.14 2ror s THR 116 Cb 0.37 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 2ror s THR 116 CO 0.11 0.00 0.15 0.28 -2.21 0.00 0.00 174.62 172.95 2ror s THR 117 N -3.28 0.25 -0.48 5.08 -1.32 -1.26 -1.74 115.64 112.90 2ror s THR 117 Ca 0.36 -2.00 -0.37 0.00 -1.21 0.00 0.00 61.69 58.47 2ror s THR 117 Cb 0.01 -2.54 -0.15 0.00 -1.51 0.00 0.00 72.50 68.32 2ror s THR 117 CO 0.24 0.00 2.24 0.18 -2.21 0.00 0.00 174.62 175.07 2ror n LEU 118 N -0.46 1.46 -0.08 9.08 4.77 -1.26 -4.81 117.00 125.71 2ror n LEU 118 Ca 0.02 0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 56.21 2ror n LEU 118 Cb 0.65 -1.12 -0.12 0.00 -2.33 0.00 0.00 43.42 40.51 2ror n LEU 118 CO 0.35 -0.79 -0.65 0.00 -1.33 0.00 0.00 177.39 174.97 2ror n GLN 119 N 8.03 0.62 -3.80 3.23 1.13 -0.36 -4.64 117.38 121.59 2ror n GLN 119 Ca 0.48 0.48 -0.13 0.00 -1.94 0.00 0.00 57.00 55.90 2ror n GLN 119 Cb 0.13 -1.72 -0.14 0.00 0.11 0.00 0.00 30.24 28.62 2ror n GLN 119 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2ror s PHE 120 N -2.42 -0.11 1.12 1.08 0.08 -1.02 -4.88 117.98 111.83 2ror s PHE 120 Ca -0.28 0.31 -0.19 0.00 0.12 0.00 0.00 56.93 56.90 2ror s PHE 120 Cb 0.07 -0.04 0.28 0.00 -0.57 0.00 0.00 43.02 42.76 2ror s PHE 120 CO 0.63 -0.09 0.99 -0.35 -0.10 0.00 0.00 175.22 176.30 2ror n PRO 121 N 3.55 -2.96 0.08 0.24 -0.04 -1.26 0.13 135.00 134.73 2ror n PRO 121 Ca -0.19 -1.59 -0.13 0.00 -0.04 0.00 0.00 63.50 61.55 2ror n PRO 121 Cb 0.56 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2ror n PRO 121 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ror h PHE 122 N -2.63 -0.11 0.00 0.54 3.04 -1.09 -3.35 116.94 113.33 2ror h PHE 122 Ca -0.37 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.57 2ror h PHE 122 Cb 1.14 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.69 2ror h PHE 122 CO 0.00 -0.01 0.00 1.63 -2.02 0.00 0.00 178.31 177.91 2ror n LYS 123 N -5.11 0.00 -3.62 1.11 5.02 -0.99 -4.99 118.16 109.58 2ror n LYS 123 Ca -0.08 0.49 -0.05 0.00 -2.02 0.00 0.00 58.31 56.65 2ror n LYS 123 Cb 0.10 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 2ror n LYS 123 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ror s GLU 124 N -1.89 0.25 0.33 1.97 -1.05 -1.26 -5.12 118.70 111.94 2ror s GLU 124 Ca 0.00 0.02 -0.28 0.00 -0.15 0.00 0.00 54.97 54.56 2ror s GLU 124 Cb 0.00 0.12 -0.10 0.00 -0.44 0.00 0.00 34.13 33.71 2ror s GLU 124 CO 0.00 -0.09 1.22 -1.25 0.95 0.00 0.00 175.26 176.09 2ror s PRO 125 N -1.39 4.35 -0.29 -4.83 0.04 -1.26 -4.52 135.00 127.11 2ror s PRO 125 Ca 0.06 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 2ror s PRO 125 Cb -0.01 -3.00 0.14 0.00 0.04 0.00 0.00 34.50 31.66 2ror s PRO 125 CO -0.05 -0.11 0.85 -2.00 0.04 0.00 0.00 177.00 175.73 2ror s GLU 126 N -1.83 0.46 -0.28 4.56 2.56 -1.26 -5.05 118.70 117.87 2ror s GLU 126 Ca 0.50 0.98 -0.02 0.00 0.00 0.00 0.00 54.97 56.43 2ror s GLU 126 Cb -0.35 0.39 0.04 0.00 2.00 0.00 0.00 34.13 36.20 2ror s GLU 126 CO 0.46 -0.13 -0.02 -1.59 -0.56 0.00 0.00 175.26 173.43 2ror s LYS 127 N 2.10 2.60 -0.41 4.30 -2.85 -1.26 -4.98 119.74 119.23 2ror s LYS 127 Ca -0.07 -1.15 0.05 0.00 -1.00 0.00 0.00 55.97 53.81 2ror s LYS 127 Cb -0.07 -3.12 0.44 0.00 -2.06 0.00 0.00 37.83 33.02 2ror s LYS 127 CO -0.18 -0.54 1.29 -2.13 0.10 0.00 0.00 175.35 173.90 2ror n ARG 128 N 4.65 3.41 -3.66 1.78 0.63 -1.26 -4.92 116.66 117.29 2ror n ARG 128 Ca -0.14 -4.17 -0.27 0.00 -0.92 0.00 0.00 57.85 52.35 2ror n ARG 128 Cb 0.45 -2.27 -0.05 0.00 0.45 0.00 0.00 32.46 31.04 2ror n ARG 128 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2ror n THR 129 N -0.64 0.00 -1.61 5.15 -2.24 -1.26 -4.78 114.28 108.90 2ror n THR 129 Ca 0.45 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.80 2ror n THR 129 Cb 0.78 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2ror n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ror n ILE 130 N -3.29 2.29 -4.51 2.28 0.13 -1.26 -4.99 119.36 110.00 2ror n ILE 130 Ca 0.07 -0.50 -0.31 0.00 -1.10 0.00 0.00 62.75 60.92 2ror n ILE 130 Cb 0.43 -1.17 -0.11 0.00 -0.84 0.00 0.00 39.64 37.94 2ror n ILE 130 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 2ror s SER 131 N -0.65 4.12 0.14 9.51 0.15 -1.26 -5.08 113.70 120.62 2ror s SER 131 Ca 0.61 -0.36 -0.32 0.00 0.70 0.00 0.00 55.95 56.59 2ror s SER 131 Cb -0.59 -0.77 -0.11 0.00 -1.71 0.00 0.00 66.02 62.84 2ror s SER 131 CO 0.58 0.24 1.80 0.54 1.20 0.00 0.00 173.24 177.61 2ror n ARG 132 N 1.36 2.74 -3.38 5.44 3.00 -1.26 -4.96 116.66 119.60 2ror n ARG 132 Ca -0.15 1.00 -0.38 0.00 -0.01 0.00 0.00 57.85 58.30 2ror n ARG 132 Cb 0.52 -2.87 -0.07 0.00 0.00 0.00 0.00 32.46 30.04 2ror n ARG 132 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2ror s SER 133 N 2.34 6.55 0.27 0.55 1.04 -1.26 -5.03 113.70 118.16 2ror s SER 133 Ca 0.81 0.66 -0.28 0.00 0.48 0.00 0.00 55.95 57.61 2ror s SER 133 Cb -0.50 -2.25 -0.15 0.00 0.10 0.00 0.00 66.02 63.22 2ror s SER 133 CO 0.37 -0.02 0.93 0.61 0.98 0.00 0.00 173.24 176.11 2ror n GLY 134 N 3.52 -0.50 3.77 7.32 0.00 -1.26 -4.93 105.19 113.11 2ror n GLY 134 Ca -0.08 0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2ror n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 135 N -1.46 2.52 0.03 1.61 0.04 -1.26 -5.07 135.00 131.42 2ror s PRO 135 Ca 0.59 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.98 2ror s PRO 135 Cb -0.74 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2ror s PRO 135 CO 0.59 -1.45 -0.21 -1.54 0.04 0.00 0.00 177.00 174.43 2ror s SER 136 N -3.01 2.50 -0.17 6.66 1.04 -1.26 -5.14 113.70 114.31 2ror s SER 136 Ca 0.64 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 56.38 2ror s SER 136 Cb -0.19 -0.22 0.05 0.00 0.10 0.00 0.00 66.02 65.76 2ror s SER 136 CO 0.49 0.18 0.51 -0.55 0.98 0.00 0.00 173.24 174.85 2ror s SER 137 N -1.08 -0.52 0.00 7.02 0.15 -1.26 -5.26 113.70 112.74 2ror s SER 137 Ca 0.08 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2ror s SER 137 Cb -0.09 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 2ror s SER 137 CO 0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84