#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ror s SER 2 N 0.00 0.28 0.30 1.61 0.01 -1.26 -5.18 113.70 109.45 2ror s SER 2 Ca 0.00 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 55.94 2ror s SER 2 Cb 0.00 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 2ror s SER 2 CO 0.00 -0.91 0.24 -0.94 0.41 0.00 0.00 173.24 172.04 2ror s SER 3 N -3.16 1.30 0.00 2.44 1.04 -1.26 -5.18 113.70 108.88 2ror s SER 3 Ca 0.37 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2ror s SER 3 Cb 0.06 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2ror s SER 3 CO 0.13 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2ror n GLY 4 N -0.54 2.14 3.17 7.32 0.00 -1.26 -5.16 105.19 110.87 2ror n GLY 4 Ca 0.06 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 2ror n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ror s SER 5 N -0.90 0.18 -0.26 1.61 1.04 -1.26 -5.16 113.70 108.95 2ror s SER 5 Ca 0.00 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 2ror s SER 5 Cb 0.00 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.52 2ror s SER 5 CO 0.00 -0.67 0.59 -0.55 0.98 0.00 0.00 173.24 173.59 2ror s SER 6 N -2.73 -0.85 0.00 7.02 0.15 -1.26 -5.16 113.70 110.87 2ror s SER 6 Ca 0.03 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2ror s SER 6 Cb 0.04 1.68 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 2ror s SER 6 CO -0.10 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2ror n GLY 7 N 4.97 1.22 3.92 9.45 0.00 -1.26 -5.17 105.19 118.33 2ror n GLY 7 Ca -0.15 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2ror n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ror s LYS 8 N -1.60 1.82 -0.49 1.61 3.01 -1.26 -5.04 119.74 117.78 2ror s LYS 8 Ca 0.00 -0.19 -0.08 0.00 -1.01 0.00 0.00 55.97 54.69 2ror s LYS 8 Cb 0.00 -2.04 0.13 0.00 -1.01 0.00 0.00 37.83 34.91 2ror s LYS 8 CO 0.00 -1.59 0.36 0.00 0.51 0.00 0.00 175.35 174.63 2ror s ALA 9 N -3.48 3.41 -0.29 5.17 0.00 -1.26 -5.02 121.76 120.30 2ror s ALA 9 Ca 0.64 -2.65 -0.18 0.00 0.00 0.00 0.00 51.96 49.77 2ror s ALA 9 Cb -0.09 -2.79 0.13 0.00 0.00 0.00 0.00 23.12 20.37 2ror s ALA 9 CO 0.48 -1.93 0.96 -2.00 0.00 0.00 0.00 175.76 173.26 2ror s GLU 10 N 1.14 0.44 -0.60 0.00 2.12 -1.26 -5.11 118.70 115.43 2ror s GLU 10 Ca 0.08 0.71 0.04 0.00 0.36 0.00 0.00 54.97 56.16 2ror s GLU 10 Cb -0.24 0.12 0.15 0.00 0.26 0.00 0.00 34.13 34.42 2ror s GLU 10 CO -0.02 -0.08 0.38 0.00 -0.54 0.00 0.00 175.26 175.00 2ror s ALA 11 N 1.14 3.35 0.33 6.30 0.00 -1.26 -5.08 121.76 126.54 2ror s ALA 11 Ca -0.07 -3.45 0.04 0.00 0.00 0.00 0.00 51.96 48.48 2ror s ALA 11 Cb -0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2ror s ALA 11 CO -0.14 -2.06 0.16 -1.21 0.00 0.00 0.00 175.76 172.52 2ror s GLU 12 N -0.80 1.68 -0.23 0.00 2.02 -1.26 -5.09 118.70 115.02 2ror s GLU 12 Ca 0.22 -1.98 -0.41 0.00 0.02 0.00 0.00 54.97 52.83 2ror s GLU 12 Cb -0.13 -0.18 -0.19 0.00 0.10 0.00 0.00 34.13 33.73 2ror s GLU 12 CO -0.10 -0.47 1.24 1.04 0.02 0.00 0.00 175.26 177.00 2ror n GLN 13 N -0.66 0.00 -4.32 1.61 6.02 -1.26 -4.94 117.38 113.84 2ror n GLN 13 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 2ror n GLN 13 Cb 0.65 -1.40 -0.12 0.00 1.02 0.00 0.00 30.24 30.38 2ror n GLN 13 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2ror s ASN 14 N 1.37 2.71 0.26 1.08 0.02 -1.26 -5.04 114.94 114.08 2ror s ASN 14 Ca 0.92 -0.74 -0.02 0.00 -1.02 0.00 0.00 52.86 51.99 2ror s ASN 14 Cb -1.29 -0.16 0.50 0.00 0.02 0.00 0.00 41.25 40.32 2ror s ASN 14 CO 0.65 0.06 1.75 4.11 0.02 0.00 0.00 177.10 183.69 2ror h TRP 15 N 3.83 0.68 -3.73 2.20 0.09 -2.05 -3.42 115.95 113.55 2ror h TRP 15 Ca -0.46 0.03 -0.43 0.00 0.09 0.00 0.00 58.89 58.13 2ror h TRP 15 Cb 1.19 -0.18 0.18 0.00 0.08 0.00 0.00 29.16 30.43 2ror h TRP 15 CO 0.63 0.14 0.26 1.67 0.09 0.00 0.00 178.44 181.23 2ror s TRP 16 N -5.99 0.96 -0.27 0.12 -2.14 -1.26 -5.02 118.94 105.34 2ror s TRP 16 Ca -0.12 0.42 0.17 0.00 2.66 0.00 0.00 56.10 59.23 2ror s TRP 16 Cb 0.21 -3.73 0.49 0.00 -3.10 0.00 0.00 33.47 27.34 2ror s TRP 16 CO 0.77 -3.36 1.14 0.39 -2.66 0.00 0.00 176.95 173.24 2ror n GLU 17 N -4.34 2.47 -3.88 3.25 1.02 -1.26 -4.97 120.64 112.93 2ror n GLU 17 Ca 0.14 -3.77 -0.30 0.00 -0.02 0.00 0.00 57.16 53.21 2ror n GLU 17 Cb 0.59 -1.87 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 2ror n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ror s GLY 18 N -3.72 2.81 0.96 0.62 0.00 -1.26 -5.10 107.32 101.64 2ror s GLY 18 Ca 0.37 -3.67 -0.12 0.00 0.00 0.00 0.00 44.72 41.29 2ror s GLY 18 CO -0.01 1.07 1.09 2.56 0.00 0.00 0.00 173.10 177.82 2ror s PRO 19 N -1.09 0.72 0.44 2.90 0.04 -1.26 -5.06 135.00 131.70 2ror s PRO 19 Ca 0.23 0.64 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 2ror s PRO 19 Cb -0.11 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.78 2ror s PRO 19 CO -0.11 -2.56 0.39 -0.35 0.04 0.00 0.00 177.00 174.40 2ror n PRO 20 N -4.08 -1.78 -1.04 0.56 -0.04 -1.26 -4.91 135.00 122.45 2ror n PRO 20 Ca 0.06 -0.62 -0.33 0.00 -0.04 0.00 0.00 63.50 62.56 2ror n PRO 20 Cb 0.56 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -2.70 0.00 -3.88 0.54 7.27 -1.26 -4.94 117.38 112.41 2ror n GLN 21 Ca 0.05 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.82 2ror n GLN 21 Cb 0.21 -0.81 -0.15 0.00 2.41 0.00 0.00 30.24 31.89 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 -0.81 4.33 0.60 1.69 1.01 -1.26 -4.97 116.67 117.26 2ror s ASP 22 Ca 0.48 -1.81 0.27 0.00 0.71 0.00 0.00 52.55 52.20 2ror s ASP 22 Cb -0.49 -1.24 0.91 0.00 1.01 0.00 0.00 42.92 43.12 2ror s ASP 22 CO 0.52 -0.38 1.29 0.18 0.21 0.00 0.00 175.17 176.99 2ror n LEU 23 N 4.57 0.00 -0.30 1.23 4.77 -1.26 -0.21 117.00 125.79 2ror n LEU 23 Ca -0.01 0.76 0.14 0.00 -0.03 0.00 0.00 56.01 56.87 2ror n LEU 23 Cb 0.42 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.57 2ror n LEU 23 CO 0.17 -0.76 0.97 0.28 -1.33 0.00 0.00 177.39 176.72 2ror h SER 24 N 0.00 0.09 -0.95 -1.43 0.02 -1.93 0.16 113.55 109.51 2ror h SER 24 Ca 0.50 0.19 0.29 0.00 -0.84 0.00 0.00 61.79 61.93 2ror h SER 24 Cb 2.93 0.24 -0.17 0.00 0.14 0.00 0.00 62.40 65.55 2ror h SER 24 CO -0.01 -0.14 0.23 -0.37 -1.14 0.00 0.00 176.83 175.40 2ror h VAL 25 N 0.24 0.13 -4.23 2.27 -1.51 -0.97 -3.41 116.25 108.78 2ror h VAL 25 Ca 0.58 -0.03 -0.53 0.00 -1.23 0.00 0.00 66.70 65.49 2ror h VAL 25 Cb 1.18 0.03 0.17 0.00 -2.13 0.00 0.00 31.29 30.54 2ror h VAL 25 CO -0.64 0.02 0.32 -1.00 -1.23 0.00 0.00 177.57 175.04 2ror s HIS 26 N -5.87 1.98 -2.00 5.19 4.02 0.56 -4.86 115.29 114.31 2ror s HIS 26 Ca -0.12 1.67 0.16 0.00 1.02 0.00 0.00 55.06 57.79 2ror s HIS 26 Cb 0.29 -3.36 0.94 0.00 -1.02 0.00 0.00 32.58 29.43 2ror s HIS 26 CO 0.78 -2.54 1.36 1.28 1.02 0.00 0.00 174.74 176.64 2ror n LEU 27 N -3.37 0.00 -3.72 0.89 4.77 -1.26 -4.56 117.00 109.75 2ror n LEU 27 Ca 0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 2ror n LEU 27 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 2ror n LEU 27 CO 0.49 0.00 -0.26 -1.66 -1.33 0.00 0.00 177.39 174.63 2ror s TRP 28 N -2.00 -0.12 -0.04 -1.77 1.48 -1.26 -0.19 118.94 115.04 2ror s TRP 28 Ca 0.24 0.45 -0.16 0.00 -1.06 0.00 0.00 56.10 55.57 2ror s TRP 28 Cb 0.11 -0.20 0.03 0.00 -1.16 0.00 0.00 33.47 32.25 2ror s TRP 28 CO 0.18 -0.19 0.35 -0.47 -4.06 0.00 0.00 176.95 172.76 2ror s TYR 29 N 1.60 -0.25 -0.27 1.66 5.04 -1.26 -4.62 117.35 119.25 2ror s TYR 29 Ca -0.04 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.02 2ror s TYR 29 Cb -0.12 0.13 0.16 0.00 0.35 0.00 0.00 41.96 42.47 2ror s TYR 29 CO -0.05 -0.37 0.47 0.00 -1.34 0.00 0.00 175.55 174.25 2ror s ALA 30 N -1.06 -1.55 0.85 3.97 0.00 0.11 -4.60 121.76 119.47 2ror s ALA 30 Ca -0.11 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2ror s ALA 30 Cb -0.04 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2ror s ALA 30 CO 0.04 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2ror n GLY 31 N 5.39 -3.03 0.00 0.00 0.00 -1.26 -3.46 105.19 102.82 2ror n GLY 31 Ca -0.03 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.85 1.61 -0.04 -1.26 -3.35 135.00 131.60 2ror n PRO 32 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2ror n PRO 32 Cb 0.00 -1.31 -0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.81 0.00 -3.42 0.54 1.56 -1.26 -4.92 117.12 108.80 2ror n MET 33 Ca 0.07 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.31 2ror n MET 33 Cb 0.03 -0.65 -0.00 0.00 2.15 0.00 0.00 33.22 34.75 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 -0.65 3.12 0.00 2.12 -1.05 -1.26 -4.83 118.70 116.14 2ror s GLU 34 Ca 0.39 -0.94 -0.00 0.00 -0.15 0.00 0.00 54.97 54.26 2ror s GLU 34 Cb -0.42 -2.79 -0.00 0.00 -0.44 0.00 0.00 34.13 30.48 2ror s GLU 34 CO 0.41 0.03 0.72 -2.13 0.95 0.00 0.00 175.26 175.23 2ror n ARG 35 N -1.69 -0.01 -0.26 -4.83 0.00 -1.26 0.67 116.66 109.29 2ror n ARG 35 Ca -0.00 0.71 0.06 0.00 -0.00 0.00 0.00 57.85 58.62 2ror n ARG 35 Cb 0.58 -1.07 0.19 0.00 0.00 0.00 0.00 32.46 32.16 2ror n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ror h ALA 36 N -0.69 1.04 -0.66 5.13 0.00 -1.99 0.19 119.26 122.28 2ror h ALA 36 Ca 0.00 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2ror h ALA 36 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2ror h ALA 36 CO -0.01 -0.28 0.45 0.78 0.00 0.00 0.00 179.25 180.19 2ror h GLY 37 N 0.36 0.42 0.35 0.00 0.00 -0.12 -2.38 103.07 101.70 2ror h GLY 37 Ca 0.43 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.48 2ror h GLY 37 CO -0.46 0.04 -0.85 0.00 0.00 0.00 0.00 176.54 175.27 2ror h ALA 38 N 1.68 0.07 -0.80 3.60 0.00 0.16 -3.36 119.26 120.61 2ror h ALA 38 Ca 0.32 -0.85 0.12 0.00 0.00 0.00 0.00 54.91 54.51 2ror h ALA 38 Cb 0.90 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2ror h ALA 38 CO -0.07 0.47 -0.39 0.93 0.00 0.00 0.00 179.25 180.19 2ror h GLU 39 N -0.62 -0.08 -0.63 0.00 5.08 -0.56 0.16 114.58 117.92 2ror h GLU 39 Ca -0.19 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2ror h GLU 39 Cb 1.45 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.60 2ror h GLU 39 CO 0.02 -0.06 -0.13 1.03 -1.00 0.00 0.00 179.01 178.88 2ror h SER 40 N -0.09 -0.53 -0.42 1.42 0.87 -1.65 1.89 113.55 115.05 2ror h SER 40 Ca 0.27 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 61.10 2ror h SER 40 Cb 0.57 0.37 -0.07 0.00 -0.44 0.00 0.00 62.40 62.82 2ror h SER 40 CO -0.84 -0.19 -0.04 0.40 -0.53 0.00 0.00 176.83 175.63 2ror h ILE 41 N 0.02 0.65 -0.00 2.23 2.04 -0.83 0.25 117.51 121.86 2ror h ILE 41 Ca 0.31 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2ror h ILE 41 Cb 0.48 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2ror h ILE 41 CO -0.63 0.01 -0.17 0.18 0.00 0.00 0.00 178.15 177.55 2ror n LEU 42 N -5.24 0.43 -0.09 1.44 4.77 -0.19 -2.71 117.00 115.41 2ror n LEU 42 Ca 0.03 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2ror n LEU 42 Cb 0.22 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2ror n LEU 42 CO 0.17 0.09 -0.10 0.00 -1.33 0.00 0.00 177.39 176.22 2ror h ALA 43 N 3.41 0.13 -0.11 -1.18 0.00 0.51 -3.39 119.26 118.64 2ror h ALA 43 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 54.91 53.84 2ror h ALA 43 Cb 0.42 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ror h ALA 43 CO 0.00 0.36 -0.84 -0.91 0.00 0.00 0.00 179.25 177.87 2ror h ASN 44 N -1.00 0.88 -2.78 0.00 2.35 -0.75 -3.46 115.58 110.82 2ror h ASN 44 Ca -0.17 -0.61 -0.32 0.00 -0.55 0.00 0.00 56.30 54.65 2ror h ASN 44 Cb 1.10 -0.26 0.18 0.00 0.05 0.00 0.00 38.32 39.39 2ror h ASN 44 CO -0.10 1.40 -0.06 0.54 -1.65 0.00 0.00 177.43 177.56 2ror n ARG 45 N -3.90 -3.89 -0.92 0.81 3.00 -1.10 -4.98 116.66 105.68 2ror n ARG 45 Ca -0.08 -1.32 -0.30 0.00 -0.01 0.00 0.00 57.85 56.14 2ror n ARG 45 Cb 0.78 -1.52 0.15 0.00 0.00 0.00 0.00 32.46 31.86 2ror n ARG 45 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ror s SER 46 N -3.30 3.20 -0.25 0.55 0.01 -1.26 -4.93 113.70 107.71 2ror s SER 46 Ca 0.58 1.88 -0.29 0.00 1.31 0.00 0.00 55.95 59.42 2ror s SER 46 Cb -0.09 -2.45 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 2ror s SER 46 CO 0.47 -2.87 1.29 -1.81 0.41 0.00 0.00 173.24 170.72 2ror s ASP 47 N -2.99 6.77 0.00 2.44 1.11 -1.26 -3.17 116.67 119.58 2ror s ASP 47 Ca 0.65 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.76 2ror s ASP 47 Cb -0.21 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.24 2ror s ASP 47 CO 0.58 -0.96 0.00 0.61 1.18 0.00 0.00 175.17 176.58 2ror n GLY 48 N 4.05 1.19 3.70 0.21 0.00 -0.69 -4.97 105.19 108.68 2ror n GLY 48 Ca 0.14 0.00 -0.31 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 2.56 0.25 2.61 2.01 -1.19 -2.33 115.64 117.55 2ror s THR 49 Ca 0.00 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 2ror s THR 49 Cb 0.00 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 70.09 2ror s THR 49 CO 0.00 -0.24 0.52 0.72 -0.69 0.00 0.00 174.62 174.93 2ror s PHE 50 N -2.75 0.25 0.13 4.92 -0.71 0.18 -1.31 117.98 118.68 2ror s PHE 50 Ca 0.65 -0.63 -0.24 0.00 -1.04 0.00 0.00 56.93 55.66 2ror s PHE 50 Cb -0.20 0.28 0.08 0.00 -1.21 0.00 0.00 43.02 41.97 2ror s PHE 50 CO 0.58 -1.03 1.09 -0.48 -1.34 0.00 0.00 175.22 174.04 2ror s LEU 51 N -3.00 -0.03 -0.15 -1.99 0.05 -0.87 -1.99 118.68 110.71 2ror s LEU 51 Ca 0.20 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.87 2ror s LEU 51 Cb -0.02 1.92 0.02 0.00 -2.05 0.00 0.00 46.19 46.06 2ror s LEU 51 CO 0.08 -0.81 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.22 2ror s VAL 52 N -2.33 1.65 0.12 1.48 1.01 -1.26 -2.12 120.40 118.95 2ror s VAL 52 Ca 0.21 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.59 2ror s VAL 52 Cb -0.01 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2ror s VAL 52 CO 0.03 0.47 -0.24 0.00 0.00 0.00 0.00 175.10 175.36 2ror s ARG 53 N 1.34 1.27 0.22 2.72 1.70 0.62 0.07 118.95 126.88 2ror s ARG 53 Ca 0.02 -1.26 0.05 0.00 -0.47 0.00 0.00 55.73 54.07 2ror s ARG 53 Cb -0.13 -1.65 -0.03 0.00 -0.57 0.00 0.00 34.95 32.57 2ror s ARG 53 CO -0.09 0.39 0.29 -1.14 -1.08 0.00 0.00 175.30 173.67 2ror s GLN 54 N -2.00 3.29 0.48 3.89 0.74 -1.21 0.53 119.66 125.38 2ror s GLN 54 Ca 0.10 -0.79 0.03 0.00 0.05 0.00 0.00 55.36 54.75 2ror s GLN 54 Cb -0.10 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.20 2ror s GLN 54 CO 0.05 0.45 0.68 1.03 -0.55 0.00 0.00 175.29 176.95 2ror s ARG 55 N -3.73 2.78 -0.27 1.67 0.52 -0.91 -4.68 118.95 114.34 2ror s ARG 55 Ca 0.34 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.58 2ror s ARG 55 Cb -0.09 -2.59 -0.12 0.00 0.52 0.00 0.00 34.95 32.67 2ror s ARG 55 CO 0.28 -0.44 -0.36 0.28 0.02 0.00 0.00 175.30 175.08 2ror n VAL 56 N -2.11 1.52 -0.32 3.52 0.31 -1.26 -4.49 118.33 115.51 2ror n VAL 56 Ca 0.05 -0.35 0.19 0.00 -0.01 0.00 0.00 64.34 64.22 2ror n VAL 56 Cb 0.59 -1.91 0.38 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.00 0.17 -4.04 5.55 1.57 -2.00 -3.36 116.57 113.46 2ror h LYS 57 Ca -0.66 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 57.65 2ror h LYS 57 Cb 1.58 -0.04 -0.36 0.00 0.08 0.00 0.00 32.23 33.49 2ror h LYS 57 CO -0.40 0.11 -0.78 0.34 -0.57 0.00 0.00 179.45 178.15 2ror s ASP 58 N -4.95 1.58 0.05 0.86 -1.08 -1.26 -5.06 116.67 106.82 2ror s ASP 58 Ca -0.11 -0.18 -0.24 0.00 -0.52 0.00 0.00 52.55 51.50 2ror s ASP 58 Cb 0.29 -0.60 -0.12 0.00 -1.46 0.00 0.00 42.92 41.03 2ror s ASP 58 CO 0.78 -0.10 1.37 0.00 0.52 0.00 0.00 175.17 177.73 2ror h ALA 59 N 7.79 -1.06 -0.34 3.66 0.00 -1.79 -3.31 119.26 124.20 2ror h ALA 59 Ca -0.29 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.13 2ror h ALA 59 Cb 1.14 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2ror h ALA 59 CO 0.39 -1.06 1.13 0.00 0.00 0.00 0.00 179.25 179.71 2ror n ALA 60 N -2.59 1.81 -3.51 0.00 0.00 -1.26 -4.66 120.51 110.30 2ror n ALA 60 Ca -0.09 -2.96 -0.00 0.00 0.00 0.00 0.00 53.44 50.39 2ror n ALA 60 Cb 0.31 -3.49 -0.05 0.00 0.00 0.00 0.00 19.45 16.22 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 6.52 0.34 0.40 0.00 2.56 -1.25 -4.56 118.70 122.71 2ror s GLU 61 Ca 0.68 0.74 0.07 0.00 0.00 0.00 0.00 54.97 56.47 2ror s GLU 61 Cb 0.01 0.32 -0.07 0.00 2.00 0.00 0.00 34.13 36.40 2ror s GLU 61 CO 0.15 -0.10 0.07 -0.06 -0.56 0.00 0.00 175.26 174.75 2ror s PHE 62 N 2.05 2.55 -0.22 5.30 0.08 -1.24 -2.13 117.98 124.36 2ror s PHE 62 Ca -0.05 -0.61 -0.16 0.00 0.12 0.00 0.00 56.93 56.23 2ror s PHE 62 Cb -0.05 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2ror s PHE 62 CO -0.17 0.37 0.56 0.00 -0.10 0.00 0.00 175.22 175.88 2ror s ALA 63 N -2.65 -1.45 -0.24 5.36 0.00 0.19 0.40 121.76 123.37 2ror s ALA 63 Ca 0.37 1.80 -0.11 0.00 0.00 0.00 0.00 51.96 54.02 2ror s ALA 63 Cb 0.06 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 2ror s ALA 63 CO 0.20 -0.30 0.18 0.42 0.00 0.00 0.00 175.76 176.26 2ror s ILE 64 N 0.90 5.34 -0.23 0.00 1.01 -0.16 -0.28 121.20 127.78 2ror s ILE 64 Ca -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2ror s ILE 64 Cb -0.05 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.91 2ror s ILE 64 CO -0.08 0.32 -0.08 -0.55 0.00 0.00 0.00 174.94 174.55 2ror s SER 65 N 1.17 4.08 -0.02 3.58 0.15 -0.90 -0.07 113.70 121.69 2ror s SER 65 Ca 0.08 -0.68 0.05 0.00 0.70 0.00 0.00 55.95 56.10 2ror s SER 65 Cb -0.14 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 2ror s SER 65 CO 0.06 -0.07 -0.17 -0.51 1.20 0.00 0.00 173.24 173.75 2ror s ILE 66 N 1.37 1.34 -0.12 6.45 -1.16 -0.98 -2.04 121.20 126.05 2ror s ILE 66 Ca 0.03 -0.72 -0.22 0.00 -0.51 0.00 0.00 60.65 59.22 2ror s ILE 66 Cb -0.15 -1.12 -0.03 0.00 0.61 0.00 0.00 42.46 41.77 2ror s ILE 66 CO -0.06 0.38 0.68 -0.75 -2.81 0.00 0.00 174.94 172.38 2ror s LYS 67 N -0.36 4.35 -0.17 3.50 2.47 -0.43 -1.16 119.74 127.94 2ror s LYS 67 Ca 0.06 0.79 -0.29 0.00 -1.56 0.00 0.00 55.97 54.97 2ror s LYS 67 Cb -0.07 -3.50 0.11 0.00 -1.46 0.00 0.00 37.83 32.91 2ror s LYS 67 CO -0.00 -0.06 0.89 -0.47 0.16 0.00 0.00 175.35 175.87 2ror s TYR 68 N 1.26 -0.51 -1.02 4.03 5.04 0.28 -1.70 117.35 124.74 2ror s TYR 68 Ca 0.34 0.99 -0.00 0.00 -2.44 0.00 0.00 57.07 55.96 2ror s TYR 68 Cb -0.17 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.54 2ror s TYR 68 CO 0.14 -0.39 0.85 -1.71 -1.34 0.00 0.00 175.55 173.10 2ror n ASN 69 N 1.26 -2.29 -1.86 4.32 4.05 -1.26 -2.14 115.26 117.33 2ror n ASN 69 Ca -0.13 -0.53 -0.07 0.00 0.45 0.00 0.00 54.58 54.29 2ror n ASN 69 Cb 0.57 -4.45 -0.02 0.00 1.23 0.00 0.00 39.78 37.11 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 -3.62 -0.18 -3.71 3.44 0.24 -1.26 -4.87 118.33 108.37 2ror n VAL 70 Ca -0.24 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 2ror n VAL 70 Cb 0.64 -0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 32.05 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 -3.87 0.66 -0.28 7.34 2.02 -0.91 -5.14 118.70 118.52 2ror s GLU 71 Ca 0.00 0.24 -0.18 0.00 0.02 0.00 0.00 54.97 55.05 2ror s GLU 71 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 2ror s GLU 71 CO 0.00 -0.15 0.52 0.08 0.02 0.00 0.00 175.26 175.73 2ror s VAL 72 N -0.60 5.05 0.46 2.63 1.01 -1.26 -0.55 120.40 127.13 2ror s VAL 72 Ca -0.07 0.77 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2ror s VAL 72 Cb -0.03 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2ror s VAL 72 CO 0.03 0.02 0.64 -0.54 0.00 0.00 0.00 175.10 175.25 2ror s LYS 73 N 2.34 2.79 -0.12 2.72 -0.14 -0.31 -4.97 119.74 122.04 2ror s LYS 73 Ca 0.21 -0.97 -0.12 0.00 -1.36 0.00 0.00 55.97 53.72 2ror s LYS 73 Cb -0.16 -2.65 0.03 0.00 -1.68 0.00 0.00 37.83 33.38 2ror s LYS 73 CO 0.10 -0.39 0.34 -1.01 -0.76 0.00 0.00 175.35 173.64 2ror s HIS 74 N -2.50 -0.36 -0.08 3.18 3.76 -1.26 -2.33 115.29 115.71 2ror s HIS 74 Ca 0.54 0.88 0.04 0.00 -0.15 0.00 0.00 55.06 56.37 2ror s HIS 74 Cb -0.10 0.13 -0.00 0.00 1.11 0.00 0.00 32.58 33.72 2ror s HIS 74 CO 0.35 -0.20 -0.21 0.42 -0.85 0.00 0.00 174.74 174.26 2ror s ILE 75 N 0.07 1.78 0.01 0.60 1.09 0.89 -4.96 121.20 120.68 2ror s ILE 75 Ca -0.01 -0.88 -0.22 0.00 -1.10 0.00 0.00 60.65 58.44 2ror s ILE 75 Cb -0.03 -1.54 -0.05 0.00 -1.06 0.00 0.00 42.46 39.78 2ror s ILE 75 CO 0.01 0.50 0.67 -0.75 -0.10 0.00 0.00 174.94 175.26 2ror s LYS 76 N 0.25 4.39 -0.03 2.79 2.20 -1.26 -0.99 119.74 127.10 2ror s LYS 76 Ca -0.13 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.36 2ror s LYS 76 Cb -0.16 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2ror s LYS 76 CO 0.06 0.30 -0.06 0.42 -0.36 0.00 0.00 175.35 175.71 2ror s ILE 77 N -0.03 3.74 0.17 5.43 1.01 0.16 -4.79 121.20 126.90 2ror s ILE 77 Ca 0.34 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2ror s ILE 77 Cb -0.19 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2ror s ILE 77 CO 0.19 0.49 -0.08 -0.04 0.00 0.00 0.00 174.94 175.50 2ror s MET 78 N -1.13 2.10 -0.17 2.79 -1.94 -1.25 -3.69 119.30 116.01 2ror s MET 78 Ca 0.15 -1.23 -0.04 0.00 -1.71 0.00 0.00 55.69 52.86 2ror s MET 78 Cb -0.11 -2.19 0.08 0.00 2.01 0.00 0.00 34.83 34.61 2ror s MET 78 CO 0.05 0.44 0.18 0.95 -0.01 0.00 0.00 175.02 176.63 2ror s THR 79 N -1.67 -0.26 0.00 2.05 -4.23 -1.26 -3.69 115.64 106.58 2ror s THR 79 Ca 0.25 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2ror s THR 79 Cb -0.09 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2ror s THR 79 CO 0.15 -0.15 0.00 0.00 -0.54 0.00 0.00 174.62 174.09 2ror n ALA 80 N 5.31 0.00 -2.37 3.99 0.00 -1.26 -4.75 120.51 121.44 2ror n ALA 80 Ca -0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 2ror n ALA 80 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.07 3.34 -1.61 0.00 1.02 -1.26 -4.82 120.64 115.25 2ror n GLU 81 Ca 0.00 -4.25 -0.05 0.00 -0.02 0.00 0.00 57.16 52.84 2ror n GLU 81 Cb 0.00 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.14 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 -0.44 0.47 3.60 0.62 0.00 -1.26 -5.04 105.19 103.14 2ror n GLY 82 Ca 0.43 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.28 2.97 -0.06 0.99 1.43 -1.26 -4.70 118.68 116.76 2ror s LEU 83 Ca 0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2ror s LEU 83 Cb 0.00 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2ror s LEU 83 CO 0.00 -0.11 -0.08 -0.31 0.23 0.00 0.00 176.35 176.08 2ror s TYR 84 N -2.45 1.13 -0.28 0.29 1.51 -1.22 -4.01 117.35 112.32 2ror s TYR 84 Ca 0.33 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.76 2ror s TYR 84 Cb -0.03 -0.90 0.09 0.00 -0.11 0.00 0.00 41.96 41.01 2ror s TYR 84 CO 0.19 -0.26 0.80 -0.98 -1.11 0.00 0.00 175.55 174.19 2ror s ARG 85 N 0.87 0.71 0.13 -0.62 1.70 -1.24 -1.42 118.95 119.09 2ror s ARG 85 Ca -0.11 0.93 0.18 0.00 -0.47 0.00 0.00 55.73 56.26 2ror s ARG 85 Cb -0.15 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 2ror s ARG 85 CO 0.01 -0.10 1.00 -0.84 -1.08 0.00 0.00 175.30 174.29 2ror h ILE 86 N 4.16 0.47 -3.13 4.99 3.07 -1.87 -3.32 117.51 121.88 2ror h ILE 86 Ca -0.29 -1.84 -0.18 0.00 1.55 0.00 0.00 64.86 64.10 2ror h ILE 86 Cb 1.18 2.01 -0.28 0.00 -0.27 0.00 0.00 36.82 39.47 2ror h ILE 86 CO 0.09 0.27 -0.47 0.42 -1.05 0.00 0.00 178.15 177.40 2ror s THR 87 N -3.01 -0.02 0.62 0.16 -4.23 -1.26 -5.01 115.64 102.89 2ror s THR 87 Ca -0.01 0.06 0.25 0.00 -1.18 0.00 0.00 61.69 60.82 2ror s THR 87 Cb 0.09 -0.34 0.33 0.00 1.34 0.00 0.00 72.50 73.92 2ror s THR 87 CO 0.79 0.03 1.65 1.05 -0.54 0.00 0.00 174.62 177.60 2ror h GLU 88 N 6.39 0.00 0.20 3.99 4.11 -2.03 0.31 114.58 127.55 2ror h GLU 88 Ca -0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.10 2ror h GLU 88 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ror h GLU 88 CO 0.37 0.00 -0.13 0.87 0.07 0.00 0.00 179.01 180.20 2ror h LYS 89 N 0.00 -0.30 -6.18 1.06 1.79 -2.00 -3.42 116.57 107.51 2ror h LYS 89 Ca 0.22 0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 58.02 2ror h LYS 89 Cb 1.63 0.07 -0.28 0.00 -1.58 0.00 0.00 32.23 32.07 2ror h LYS 89 CO -0.00 -0.20 -0.84 0.21 -1.08 0.00 0.00 179.45 177.53 2ror s LYS 90 N -6.14 2.51 0.10 3.15 2.36 0.10 -5.13 119.74 116.68 2ror s LYS 90 Ca -0.15 -0.83 0.05 0.00 -2.55 0.00 0.00 55.97 52.49 2ror s LYS 90 Cb 0.06 -2.23 -0.03 0.00 -1.05 0.00 0.00 37.83 34.57 2ror s LYS 90 CO 0.65 0.47 -0.13 0.00 1.55 0.00 0.00 175.35 177.89 2ror s ALA 91 N -0.38 1.29 0.38 3.13 0.00 -1.26 -4.13 121.76 120.78 2ror s ALA 91 Ca 0.03 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2ror s ALA 91 Cb -0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 2ror s ALA 91 CO 0.02 0.10 0.05 -0.06 0.00 0.00 0.00 175.76 175.87 2ror s PHE 92 N -1.82 2.06 -0.18 0.00 0.40 -0.51 -5.02 117.98 112.91 2ror s PHE 92 Ca 0.04 -0.94 -0.16 0.00 -0.60 0.00 0.00 56.93 55.27 2ror s PHE 92 Cb -0.07 -1.41 -0.22 0.00 0.51 0.00 0.00 43.02 41.83 2ror s PHE 92 CO 0.02 0.09 0.26 0.54 0.70 0.00 0.00 175.22 176.83 2ror n ARG 93 N -0.84 0.64 -4.04 0.44 1.74 -1.26 -3.46 116.66 109.88 2ror n ARG 93 Ca -0.05 0.45 -0.08 0.00 -0.77 0.00 0.00 57.85 57.40 2ror n ARG 93 Cb 0.66 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ror s GLY 94 N -5.14 0.36 0.21 -0.13 0.00 -1.26 -4.37 107.32 97.00 2ror s GLY 94 Ca -0.27 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.42 2ror s GLY 94 CO 0.66 -1.03 1.68 -2.00 0.00 0.00 0.00 173.10 172.41 2ror h LEU 95 N 3.73 -0.12 -0.46 0.66 5.85 -1.92 -1.54 115.31 121.51 2ror h LEU 95 Ca -0.33 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2ror h LEU 95 Cb 1.17 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 2ror h LEU 95 CO 0.56 -0.05 -0.54 0.74 -0.34 0.00 0.00 178.44 178.81 2ror h THR 96 N 0.19 0.02 -0.82 1.05 2.02 -1.99 0.65 112.91 114.02 2ror h THR 96 Ca 0.33 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 2ror h THR 96 Cb 0.52 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2ror h THR 96 CO -0.47 0.00 0.52 -0.33 0.37 0.00 0.00 175.52 175.61 2ror h GLU 97 N -0.35 0.96 -0.82 6.66 4.39 -1.81 0.19 114.58 123.79 2ror h GLU 97 Ca 0.09 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.84 2ror h GLU 97 Cb 0.58 -0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 2ror h GLU 97 CO -0.63 0.63 0.46 1.25 -1.16 0.00 0.00 179.01 179.56 2ror h LEU 98 N 0.98 0.63 0.05 1.33 6.46 -0.04 0.54 115.31 125.27 2ror h LEU 98 Ca 0.34 0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 58.01 2ror h LEU 98 Cb 0.07 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2ror h LEU 98 CO -0.14 0.35 -0.60 0.58 -0.62 0.00 0.00 178.44 178.01 2ror h VAL 99 N 0.75 1.49 0.00 1.05 2.07 -0.23 -2.88 116.25 118.50 2ror h VAL 99 Ca 0.41 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2ror h VAL 99 Cb 0.42 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2ror h VAL 99 CO -0.27 0.64 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 2ror n GLU 100 N -4.25 0.12 -0.13 1.57 -0.58 0.61 -2.61 120.64 115.37 2ror n GLU 100 Ca -0.11 0.21 -0.28 0.00 -0.42 0.00 0.00 57.16 56.56 2ror n GLU 100 Cb 0.69 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.96 2ror n GLU 100 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2ror n PHE 101 N -1.28 0.28 -0.21 -0.32 7.35 0.15 -4.49 117.46 118.93 2ror n PHE 101 Ca 0.04 0.12 0.02 0.00 -0.76 0.00 0.00 57.45 56.86 2ror n PHE 101 Cb 0.06 -1.03 0.11 0.00 0.35 0.00 0.00 39.48 38.98 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 -0.97 0.01 -0.59 -5.13 0.05 -1.28 0.27 116.97 109.33 2ror h TYR 102 Ca -0.61 0.05 0.17 0.00 0.05 0.00 0.00 58.73 58.38 2ror h TYR 102 Cb 1.55 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 39.36 2ror h TYR 102 CO -0.04 -0.15 1.03 1.96 -1.05 0.00 0.00 178.16 179.90 2ror h GLN 103 N 0.14 0.00 0.00 4.88 4.20 -1.76 0.86 115.11 123.43 2ror h GLN 103 Ca 0.34 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.76 2ror h GLN 103 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 2ror h GLN 103 CO -0.53 0.00 -2.08 1.04 -0.67 0.00 0.00 178.83 176.60 2ror n GLN 104 N -3.03 1.19 -3.65 1.46 3.00 0.84 -4.71 117.38 112.49 2ror n GLN 104 Ca 0.13 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.76 2ror n GLN 104 Cb 1.21 -1.40 -0.12 0.00 0.00 0.00 0.00 30.24 29.94 2ror n GLN 104 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2ror s ASN 105 N -5.19 5.55 0.43 1.08 0.01 0.30 -5.07 114.94 112.05 2ror s ASN 105 Ca -0.13 -0.70 -0.24 0.00 -0.71 0.00 0.00 52.86 51.07 2ror s ASN 105 Cb 0.05 -1.99 -0.10 0.00 0.41 0.00 0.00 41.25 39.62 2ror s ASN 105 CO 0.58 -0.26 1.10 -1.54 -1.51 0.00 0.00 177.10 175.48 2ror n SER 106 N 4.97 1.71 0.17 -1.22 3.41 -1.25 -4.50 113.62 116.91 2ror n SER 106 Ca -0.13 1.05 0.14 0.00 -0.26 0.00 0.00 58.87 59.66 2ror n SER 106 Cb 0.48 -1.41 0.51 0.00 -0.26 0.00 0.00 64.21 63.53 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ror h LEU 107 N 1.68 0.00 -2.16 1.04 4.07 -1.30 -2.95 115.31 115.69 2ror h LEU 107 Ca -0.46 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 2ror h LEU 107 Cb 1.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 2ror h LEU 107 CO 0.58 0.00 -0.05 0.07 -1.08 0.00 0.00 178.44 177.95 2ror h LYS 108 N 0.00 0.00 -0.54 1.13 2.10 0.17 0.42 116.57 119.85 2ror h LYS 108 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2ror h LYS 108 Cb 0.51 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.74 2ror h LYS 108 CO 0.00 0.05 -0.20 -0.44 -2.00 0.00 0.00 179.45 176.86 2ror h ASP 109 N 0.00 -0.71 0.00 7.07 3.32 -1.77 -2.81 116.42 121.52 2ror h ASP 109 Ca -0.00 0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.92 2ror h ASP 109 Cb 0.12 0.41 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 2ror h ASP 109 CO 0.01 -0.23 -2.17 0.00 -1.72 0.00 0.00 179.24 175.13 2ror n PHE 111 N -2.76 4.00 -0.24 0.00 3.72 0.14 -4.93 117.46 117.40 2ror n PHE 111 Ca -0.30 -3.96 0.11 0.00 -0.05 0.00 0.00 57.45 53.25 2ror n PHE 111 Cb 1.01 -1.11 0.21 0.00 -0.94 0.00 0.00 39.48 38.64 2ror n PHE 111 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2ror n LYS 112 N 2.04 -0.05 -0.09 -1.08 3.00 -1.07 0.10 118.16 121.01 2ror n LYS 112 Ca 0.23 1.02 -0.09 0.00 -0.00 0.00 0.00 58.31 59.47 2ror n LYS 112 Cb 0.37 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 33.74 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 -1.18 -1.09 3.14 0.87 -1.91 -3.31 113.55 110.07 2ror h SER 113 Ca 0.42 0.19 -0.41 0.00 -1.23 0.00 0.00 61.79 60.76 2ror h SER 113 Cb 0.87 0.53 -0.06 0.00 -0.44 0.00 0.00 62.40 63.30 2ror h SER 113 CO -0.64 -0.35 1.01 -0.76 -0.53 0.00 0.00 176.83 175.56 2ror s LEU 114 N -10.52 3.26 -0.37 2.23 2.01 0.28 -4.83 118.68 110.74 2ror s LEU 114 Ca -0.15 -0.68 -0.02 0.00 0.01 0.00 0.00 54.13 53.29 2ror s LEU 114 Cb 0.12 -2.56 0.13 0.00 0.01 0.00 0.00 46.19 43.90 2ror s LEU 114 CO 0.67 -2.37 2.41 -0.67 1.01 0.00 0.00 176.35 177.39 2ror n ASP 115 N 12.42 6.44 -3.55 2.29 2.03 -1.25 0.18 116.55 135.11 2ror n ASP 115 Ca 0.33 -3.11 -0.03 0.00 0.52 0.00 0.00 54.79 52.50 2ror n ASP 115 Cb 0.49 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 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 -2.19 0.00 0.38 5.18 -1.32 -1.26 -4.92 115.64 111.52 2ror s THR 116 Ca 0.45 -0.58 0.04 0.00 -1.21 0.00 0.00 61.69 60.39 2ror s THR 116 Cb 0.31 -2.44 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 2ror s THR 116 CO -0.10 0.00 0.08 0.28 -2.21 0.00 0.00 174.62 172.67 2ror s THR 117 N -2.64 0.98 -0.41 5.08 -1.32 -1.26 -1.19 115.64 114.88 2ror s THR 117 Ca 0.17 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.37 2ror s THR 117 Cb -0.01 -2.55 -0.08 0.00 -1.51 0.00 0.00 72.50 68.34 2ror s THR 117 CO 0.03 0.00 2.34 0.18 -2.21 0.00 0.00 174.62 174.96 2ror n LEU 118 N -0.85 2.47 -0.07 9.08 4.32 -1.26 -4.81 117.00 125.88 2ror n LEU 118 Ca -0.06 -0.09 -0.19 0.00 -0.02 0.00 0.00 56.01 55.66 2ror n LEU 118 Cb 0.66 -1.48 -0.13 0.00 -1.62 0.00 0.00 43.42 40.85 2ror n LEU 118 CO 0.39 -1.10 -0.17 1.56 -1.22 0.00 0.00 177.39 176.86 2ror h GLN 119 N 16.51 0.05 -3.30 3.23 1.08 -1.79 -3.40 115.11 127.49 2ror h GLN 119 Ca -0.29 -0.09 -0.25 0.00 -1.45 0.00 0.00 58.65 56.57 2ror h GLN 119 Cb 1.27 0.03 -0.32 0.00 -0.05 0.00 0.00 27.48 28.42 2ror h GLN 119 CO 1.09 1.04 -0.61 -0.06 -0.95 0.00 0.00 178.83 179.33 2ror s PHE 120 N -2.34 -0.14 0.00 2.96 0.08 -1.17 -4.87 117.98 112.51 2ror s PHE 120 Ca -0.23 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2ror s PHE 120 Cb 0.02 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.37 2ror s PHE 120 CO 0.66 -0.15 0.00 -0.35 -0.10 0.00 0.00 175.22 175.28 2ror n PRO 121 N 4.15 0.26 0.05 0.24 -0.04 -1.26 0.47 135.00 138.88 2ror n PRO 121 Ca -0.26 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.00 2ror n PRO 121 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.88 0.59 0.00 0.54 3.57 -1.29 -3.38 116.94 116.09 2ror h PHE 122 Ca 0.00 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2ror h PHE 122 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2ror h PHE 122 CO 0.00 1.32 0.00 1.63 -2.23 0.00 0.00 178.31 179.03 2ror n LYS 123 N -4.10 0.00 -3.61 1.11 4.76 0.73 -5.01 118.16 112.05 2ror n LYS 123 Ca -0.14 0.48 -0.07 0.00 -2.87 0.00 0.00 58.31 55.71 2ror n LYS 123 Cb 0.84 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 32.82 2ror n LYS 123 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2ror s GLU 124 N -1.66 0.37 0.96 1.97 -1.05 -1.25 -5.10 118.70 112.94 2ror s GLU 124 Ca 0.00 0.11 -0.16 0.00 -0.15 0.00 0.00 54.97 54.77 2ror s GLU 124 Cb 0.00 0.17 0.24 0.00 -0.44 0.00 0.00 34.13 34.10 2ror s GLU 124 CO 0.00 -0.11 0.85 -0.35 0.95 0.00 0.00 175.26 176.60 2ror n PRO 125 N 0.72 -2.68 -3.64 -4.83 -0.04 -1.26 -4.57 135.00 118.69 2ror n PRO 125 Ca -0.06 -1.36 -0.15 0.00 -0.04 0.00 0.00 63.50 61.89 2ror n PRO 125 Cb 0.58 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 2ror n PRO 125 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ror s GLU 126 N -4.92 0.80 0.14 0.54 2.12 -1.26 -5.03 118.70 111.08 2ror s GLU 126 Ca 0.55 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.55 2ror s GLU 126 Cb -0.05 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 2ror s GLU 126 CO 0.42 -0.16 0.08 -1.59 -0.54 0.00 0.00 175.26 173.47 2ror s LYS 127 N -0.20 2.74 -0.15 4.30 -2.85 -1.26 -5.12 119.74 117.20 2ror s LYS 127 Ca -0.04 -0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 53.76 2ror s LYS 127 Cb -0.03 -2.59 0.12 0.00 -2.06 0.00 0.00 37.83 33.26 2ror s LYS 127 CO 0.03 0.50 0.94 -0.98 0.10 0.00 0.00 175.35 175.95 2ror s ARG 128 N -2.79 0.67 0.00 1.78 1.70 -1.26 -5.05 118.95 114.00 2ror s ARG 128 Ca 0.29 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.75 2ror s ARG 128 Cb -0.11 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2ror s ARG 128 CO 0.21 -0.20 0.00 -2.37 -1.08 0.00 0.00 175.30 171.86 2ror n THR 129 N 0.87 0.00 -2.32 4.99 5.66 -1.26 -5.03 114.28 117.19 2ror n THR 129 Ca -0.12 -0.19 -0.42 0.00 -3.05 0.00 0.00 64.05 60.27 2ror n THR 129 Cb 0.58 0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 70.01 2ror n THR 129 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2ror s ILE 130 N -1.17 3.88 -0.37 1.09 1.01 -1.26 -5.00 121.20 119.38 2ror s ILE 130 Ca 0.00 1.28 -0.14 0.00 0.00 0.00 0.00 60.65 61.79 2ror s ILE 130 Cb 0.00 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 2ror s ILE 130 CO 0.00 0.03 0.27 -0.44 0.00 0.00 0.00 174.94 174.79 2ror s SER 131 N 1.54 6.08 -0.06 3.58 0.01 -1.26 -5.06 113.70 118.52 2ror s SER 131 Ca 0.61 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 57.32 2ror s SER 131 Cb -0.30 -2.15 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 2ror s SER 131 CO 0.26 -0.32 -0.21 -0.13 0.41 0.00 0.00 173.24 173.26 2ror s ARG 132 N 1.71 2.29 -0.04 12.44 0.52 -1.26 -5.05 118.95 129.57 2ror s ARG 132 Ca 0.06 -0.74 -0.21 0.00 -0.52 0.00 0.00 55.73 54.32 2ror s ARG 132 Cb -0.18 -1.89 -0.15 0.00 0.52 0.00 0.00 34.95 33.25 2ror s ARG 132 CO 0.10 0.25 0.90 0.66 0.02 0.00 0.00 175.30 177.24 2ror h SER 133 N 6.37 -0.22 -4.75 0.23 4.64 -2.07 -3.50 113.55 114.25 2ror h SER 133 Ca -0.29 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2ror h SER 133 Cb 1.19 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ror h SER 133 CO 0.47 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2ror n GLY 134 N 0.48 3.00 3.75 -0.77 0.00 -1.26 -5.10 105.19 105.29 2ror n GLY 134 Ca -0.08 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.34 1.92 0.21 1.61 0.04 -1.26 -5.07 135.00 130.11 2ror s PRO 135 Ca 0.00 1.06 0.11 0.00 0.04 0.00 0.00 61.00 62.21 2ror s PRO 135 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2ror s PRO 135 CO 0.00 -1.85 -0.18 -1.54 0.04 0.00 0.00 177.00 173.47 2ror s SER 136 N -3.40 3.73 0.01 6.66 1.04 -1.26 -5.13 113.70 115.35 2ror s SER 136 Ca 0.62 -0.82 -0.28 0.00 0.48 0.00 0.00 55.95 55.95 2ror s SER 136 Cb -0.17 -0.41 0.10 0.00 0.10 0.00 0.00 66.02 65.64 2ror s SER 136 CO 0.56 0.09 1.25 -0.55 0.98 0.00 0.00 173.24 175.57 2ror s SER 137 N -2.94 -0.01 0.00 7.02 0.15 -1.26 -5.35 113.70 111.30 2ror s SER 137 Ca 0.24 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2ror s SER 137 Cb -0.07 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2ror s SER 137 CO 0.13 -0.40 0.24 0.61 1.20 0.00 0.00 173.24 175.02