#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 0.58 -0.16 1.61 1.04 -1.26 -5.15 113.70 110.36 2ror s SER 2 Ca 0.00 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 2ror s SER 2 Cb 0.00 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.34 2ror s SER 2 CO 0.00 -0.51 0.12 -0.44 0.98 0.00 0.00 173.24 173.39 2ror s SER 3 N -2.64 1.94 0.00 7.02 0.01 -1.26 -5.10 113.70 113.67 2ror s SER 3 Ca 0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2ror s SER 3 Cb 0.04 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2ror s SER 3 CO -0.07 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2ror n GLY 4 N 5.29 3.87 3.19 3.44 0.00 -1.26 -5.03 105.19 114.69 2ror n GLY 4 Ca -0.06 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2ror n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ror s SER 5 N 0.00 5.74 -0.86 1.61 0.15 -1.26 -4.99 113.70 114.08 2ror s SER 5 Ca 0.00 -2.45 -0.00 0.00 0.70 0.00 0.00 55.95 54.20 2ror s SER 5 Cb 0.00 -1.99 0.23 0.00 -1.71 0.00 0.00 66.02 62.56 2ror s SER 5 CO 0.00 -0.54 0.84 -1.20 1.20 0.00 0.00 173.24 173.54 2ror n SER 6 N 4.15 4.29 0.00 5.45 7.64 -1.26 -4.82 113.62 129.06 2ror n SER 6 Ca 0.03 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2ror n SER 6 Cb 0.41 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2ror n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ror n GLY 7 N 1.92 -1.92 3.59 0.23 0.00 -1.26 -5.18 105.19 102.57 2ror n GLY 7 Ca 0.23 0.89 -0.04 0.00 0.00 0.00 0.00 46.02 47.11 2ror n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ror s LYS 8 N 0.00 0.36 -0.51 1.61 0.00 -1.26 -5.09 119.74 114.84 2ror s LYS 8 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 55.97 55.90 2ror s LYS 8 Cb 0.00 0.16 0.26 0.00 0.00 0.00 0.00 37.83 38.25 2ror s LYS 8 CO 0.00 -0.16 0.66 0.00 0.00 0.00 0.00 175.35 175.85 2ror n ALA 9 N -0.15 3.25 -3.67 0.59 0.00 -1.26 -5.05 120.51 114.22 2ror n ALA 9 Ca -0.01 -4.07 -0.19 0.00 0.00 0.00 0.00 53.44 49.17 2ror n ALA 9 Cb 0.59 -0.85 -0.17 0.00 0.00 0.00 0.00 19.45 19.02 2ror n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 10 N -1.96 -0.04 0.17 0.00 2.02 -1.26 -5.14 118.70 112.49 2ror s GLU 10 Ca 0.38 0.43 -0.24 0.00 0.02 0.00 0.00 54.97 55.57 2ror s GLU 10 Cb 0.18 -0.43 0.07 0.00 0.10 0.00 0.00 34.13 34.05 2ror s GLU 10 CO -0.07 -0.32 0.99 0.00 0.02 0.00 0.00 175.26 175.88 2ror s ALA 11 N 2.19 -1.61 -0.40 5.21 0.00 -1.26 -5.13 121.76 120.77 2ror s ALA 11 Ca 0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 2ror s ALA 11 Cb -0.12 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2ror s ALA 11 CO -0.04 -1.05 0.53 -1.21 0.00 0.00 0.00 175.76 173.99 2ror s GLU 12 N -2.80 3.37 -0.12 0.00 2.02 -1.26 -4.91 118.70 115.00 2ror s GLU 12 Ca 0.16 -0.40 -0.14 0.00 0.02 0.00 0.00 54.97 54.61 2ror s GLU 12 Cb -0.02 -3.90 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 2ror s GLU 12 CO 0.04 -0.81 -0.27 1.04 0.02 0.00 0.00 175.26 175.27 2ror n GLN 13 N 5.86 0.41 -4.25 1.61 3.00 -1.26 -5.09 117.38 117.66 2ror n GLN 13 Ca -0.05 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.97 2ror n GLN 13 Cb 0.48 -1.22 -0.10 0.00 0.00 0.00 0.00 30.24 29.40 2ror n GLN 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ror s ASN 14 N -5.93 0.62 -0.14 1.08 4.22 -1.26 -5.10 114.94 108.43 2ror s ASN 14 Ca -0.23 -1.39 -0.12 0.00 -2.14 0.00 0.00 52.86 48.99 2ror s ASN 14 Cb 0.03 0.28 -0.04 0.00 1.28 0.00 0.00 41.25 42.80 2ror s ASN 14 CO 0.33 -0.79 -0.23 0.79 -2.04 0.00 0.00 177.10 175.17 2ror n TRP 15 N -0.36 0.42 -1.52 1.54 7.02 -1.26 -4.85 117.44 118.44 2ror n TRP 15 Ca 0.01 0.18 -0.38 0.00 -1.02 0.00 0.00 57.50 56.30 2ror n TRP 15 Cb 0.66 -0.57 -0.11 0.00 -2.42 0.00 0.00 31.31 28.86 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 2ror n TRP 16 N -4.25 0.83 -3.71 -5.99 2.14 -1.26 -4.83 117.44 100.36 2ror n TRP 16 Ca -0.09 0.27 -0.28 0.00 2.07 0.00 0.00 57.50 59.47 2ror n TRP 16 Cb 0.34 -2.37 -0.11 0.00 -0.81 0.00 0.00 31.31 28.35 2ror n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2ror n GLU 17 N 8.52 1.72 -2.65 -2.67 -0.58 -1.26 -4.87 120.64 118.85 2ror n GLU 17 Ca 0.56 -4.31 -0.03 0.00 -0.42 0.00 0.00 57.16 52.97 2ror n GLU 17 Cb 0.21 -2.16 0.11 0.00 -0.57 0.00 0.00 31.44 29.04 2ror n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ror n GLY 18 N 1.82 -1.76 3.73 0.62 0.00 -1.26 -5.17 105.19 103.16 2ror n GLY 18 Ca 0.23 0.98 -0.30 0.00 0.00 0.00 0.00 46.02 46.93 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 0.02 1.51 0.00 1.61 0.04 -1.26 -5.06 135.00 131.86 2ror s PRO 19 Ca 0.21 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2ror s PRO 19 Cb 0.28 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2ror s PRO 19 CO -0.20 -2.09 0.00 -0.35 0.04 0.00 0.00 177.00 174.40 2ror n PRO 20 N -3.79 -0.12 -1.24 0.56 -0.04 -1.26 -4.69 135.00 124.42 2ror n PRO 20 Ca 0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 2ror n PRO 20 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.84 0.00 -4.19 0.54 -0.06 -1.26 -4.85 117.38 106.72 2ror n GLN 21 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 2ror n GLN 21 Cb 0.00 -1.19 -0.10 0.00 -4.06 0.00 0.00 30.24 24.89 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2ror s ASP 22 N 6.50 1.37 0.64 1.69 1.11 -1.26 -5.00 116.67 121.72 2ror s ASP 22 Ca 1.12 -0.98 0.17 0.00 0.18 0.00 0.00 52.55 53.03 2ror s ASP 22 Cb -1.00 0.05 0.77 0.00 1.07 0.00 0.00 42.92 43.82 2ror s ASP 22 CO 0.41 -0.40 1.39 -0.07 1.18 0.00 0.00 175.17 177.68 2ror h LEU 23 N 2.99 0.00 -0.94 1.23 3.38 -1.96 0.12 115.31 120.14 2ror h LEU 23 Ca -0.36 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.82 2ror h LEU 23 Cb 1.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 2ror h LEU 23 CO 0.63 0.00 0.50 0.77 0.09 0.00 0.00 178.44 180.43 2ror h SER 24 N 0.00 0.56 -1.18 -0.43 4.64 -1.93 0.22 113.55 115.43 2ror h SER 24 Ca 0.15 0.13 0.34 0.00 -0.47 0.00 0.00 61.79 61.94 2ror h SER 24 Cb 1.83 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.92 2ror h SER 24 CO -0.00 0.13 0.98 -0.37 -0.87 0.00 0.00 176.83 176.70 2ror h VAL 25 N 0.57 0.23 -4.01 0.95 -1.51 -1.14 -3.40 116.25 107.94 2ror h VAL 25 Ca 0.57 0.00 -0.45 0.00 -1.23 0.00 0.00 66.70 65.59 2ror h VAL 25 Cb 1.00 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 2ror h VAL 25 CO -0.45 0.00 0.31 -1.00 -1.23 0.00 0.00 177.57 175.20 2ror s HIS 26 N -4.76 3.34 -1.14 5.19 4.02 0.78 -4.92 115.29 117.79 2ror s HIS 26 Ca -0.04 1.57 0.05 0.00 1.02 0.00 0.00 55.06 57.66 2ror s HIS 26 Cb 0.21 -2.82 0.24 0.00 -1.02 0.00 0.00 32.58 29.19 2ror s HIS 26 CO 0.71 -0.07 1.12 1.28 1.02 0.00 0.00 174.74 178.79 2ror n LEU 27 N -0.54 0.00 -3.92 0.89 4.77 -1.26 -4.45 117.00 112.49 2ror n LEU 27 Ca 0.06 0.43 -0.23 0.00 -0.03 0.00 0.00 56.01 56.24 2ror n LEU 27 Cb 0.54 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 41.03 2ror n LEU 27 CO 0.38 -0.35 -0.43 -1.66 -1.33 0.00 0.00 177.39 174.00 2ror s TRP 28 N -2.86 1.06 -0.02 -1.77 1.48 -1.26 -2.50 118.94 113.06 2ror s TRP 28 Ca 0.03 -0.38 -0.15 0.00 -1.06 0.00 0.00 56.10 54.54 2ror s TRP 28 Cb 0.04 -0.88 0.03 0.00 -1.16 0.00 0.00 33.47 31.49 2ror s TRP 28 CO 0.09 -0.28 0.33 -0.47 -4.06 0.00 0.00 176.95 172.56 2ror s TYR 29 N 1.08 -0.22 -0.26 1.66 5.04 -1.26 -4.67 117.35 118.72 2ror s TYR 29 Ca -0.08 0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 54.88 2ror s TYR 29 Cb -0.14 0.11 0.15 0.00 0.35 0.00 0.00 41.96 42.43 2ror s TYR 29 CO -0.01 -0.39 0.45 0.00 -1.34 0.00 0.00 175.55 174.27 2ror s ALA 30 N -1.21 -1.45 1.00 3.97 0.00 0.25 -4.67 121.76 119.65 2ror s ALA 30 Ca -0.13 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2ror s ALA 30 Cb -0.05 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2ror s ALA 30 CO 0.04 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.97 2ror n GLY 31 N 5.39 -2.73 0.00 0.00 0.00 -1.26 -3.44 105.19 103.15 2ror n GLY 31 Ca -0.03 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.87 1.61 -0.04 -1.26 -3.68 135.00 131.25 2ror n PRO 32 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2ror n PRO 32 Cb 0.00 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.57 0.00 -2.38 0.54 1.56 -1.26 -4.87 117.12 110.14 2ror n MET 33 Ca 0.02 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.20 2ror n MET 33 Cb 0.01 -0.73 0.11 0.00 2.15 0.00 0.00 33.22 34.76 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 -0.91 1.63 0.04 2.12 -1.05 -1.26 -4.92 118.70 114.35 2ror s GLU 34 Ca 0.39 -0.77 -0.15 0.00 -0.15 0.00 0.00 54.97 54.28 2ror s GLU 34 Cb -0.31 -2.21 -0.07 0.00 -0.44 0.00 0.00 34.13 31.10 2ror s GLU 34 CO 0.51 -1.55 1.24 -0.09 0.95 0.00 0.00 175.26 176.32 2ror h ARG 35 N -0.73 -0.38 -1.20 -4.83 9.65 -2.00 -1.73 114.38 113.16 2ror h ARG 35 Ca -0.40 0.03 0.39 0.00 -1.10 0.00 0.00 59.98 58.89 2ror h ARG 35 Cb 1.27 0.09 -0.13 0.00 -1.39 0.00 0.00 29.97 29.81 2ror h ARG 35 CO 0.45 -0.25 0.76 0.00 2.80 0.00 0.00 179.97 183.72 2ror h ALA 36 N -1.26 2.50 -0.30 2.80 0.00 -2.00 1.00 119.26 121.99 2ror h ALA 36 Ca -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2ror h ALA 36 Cb 0.36 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2ror h ALA 36 CO -0.07 -1.10 -0.08 0.78 0.00 0.00 0.00 179.25 178.78 2ror h GLY 37 N 0.16 0.53 0.15 0.00 0.00 -1.71 -2.62 103.07 99.60 2ror h GLY 37 Ca 0.77 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 2ror h GLY 37 CO -0.45 0.32 -0.07 0.00 0.00 0.00 0.00 176.54 176.33 2ror h ALA 38 N 1.46 -0.46 -0.98 3.60 0.00 0.16 -3.22 119.26 119.81 2ror h ALA 38 Ca 0.09 -0.05 0.34 0.00 0.00 0.00 0.00 54.91 55.29 2ror h ALA 38 Cb 0.42 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 2ror h ALA 38 CO 0.02 -0.45 0.36 0.93 0.00 0.00 0.00 179.25 180.11 2ror h GLU 39 N -0.43 0.08 -0.85 0.00 5.08 -1.54 0.86 114.58 117.77 2ror h GLU 39 Ca -0.02 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2ror h GLU 39 Cb 0.16 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 2ror h GLU 39 CO 0.03 0.05 0.45 1.03 -1.00 0.00 0.00 179.01 179.58 2ror h SER 40 N 0.08 0.58 0.00 1.42 0.87 -1.54 0.55 113.55 115.51 2ror h SER 40 Ca 0.72 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.36 2ror h SER 40 Cb 1.72 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 2ror h SER 40 CO -0.77 0.27 0.00 -0.38 -0.53 0.00 0.00 176.83 175.42 2ror n ILE 41 N -4.83 0.00 0.10 2.23 5.41 0.30 -1.61 119.36 120.95 2ror n ILE 41 Ca 0.16 1.22 0.06 0.00 1.00 0.00 0.00 62.75 65.19 2ror n ILE 41 Cb 0.39 -2.18 0.30 0.00 -0.71 0.00 0.00 39.64 37.44 2ror n ILE 41 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2ror n LEU 42 N -1.65 0.28 0.03 1.39 7.99 -1.13 -1.24 117.00 122.67 2ror n LEU 42 Ca 0.00 0.57 -0.02 0.00 -0.01 0.00 0.00 56.01 56.55 2ror n LEU 42 Cb 0.00 -0.58 -0.01 0.00 -0.11 0.00 0.00 43.42 42.72 2ror n LEU 42 CO 0.00 -0.67 0.08 0.00 -1.51 0.00 0.00 177.39 175.29 2ror h ALA 43 N 1.65 -0.19 -0.58 -1.18 0.00 0.28 -3.37 119.26 115.87 2ror h ALA 43 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2ror h ALA 43 Cb 0.23 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ror h ALA 43 CO 0.00 -0.18 0.10 -0.91 0.00 0.00 0.00 179.25 178.27 2ror h ASN 44 N -0.67 0.88 -2.88 0.00 4.21 -0.90 -3.44 115.58 112.78 2ror h ASN 44 Ca -0.01 -0.19 -0.34 0.00 1.21 0.00 0.00 56.30 56.97 2ror h ASN 44 Cb 0.10 -0.23 0.19 0.00 -1.12 0.00 0.00 38.32 37.26 2ror h ASN 44 CO 0.02 0.88 -0.09 0.54 -1.29 0.00 0.00 177.43 177.49 2ror n ARG 45 N -4.24 -4.22 -0.86 0.81 3.00 -0.37 -4.99 116.66 105.79 2ror n ARG 45 Ca 0.04 -1.41 -0.28 0.00 -0.01 0.00 0.00 57.85 56.19 2ror n ARG 45 Cb 0.26 -1.67 0.22 0.00 0.00 0.00 0.00 32.46 31.26 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 -3.33 1.70 -0.20 0.55 0.01 -1.26 -4.94 113.70 106.23 2ror s SER 46 Ca 0.62 1.32 -0.29 0.00 1.31 0.00 0.00 55.95 58.91 2ror s SER 46 Cb -0.10 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2ror s SER 46 CO 0.51 -3.72 1.08 1.51 0.41 0.00 0.00 173.24 173.03 2ror s ASP 47 N -2.99 7.09 0.00 2.44 1.47 -1.26 -3.38 116.67 120.04 2ror s ASP 47 Ca 0.67 1.47 0.00 0.00 1.18 0.00 0.00 52.55 55.87 2ror s ASP 47 Cb -0.22 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.82 2ror s ASP 47 CO 0.61 -0.65 0.00 0.61 0.68 0.00 0.00 175.17 176.42 2ror n GLY 48 N 3.34 1.23 3.77 2.12 0.00 -0.94 -4.92 105.19 109.79 2ror n GLY 48 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 3.22 0.30 2.61 2.01 -1.22 -2.06 115.64 118.50 2ror s THR 49 Ca 0.00 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.40 2ror s THR 49 Cb 0.00 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.53 2ror s THR 49 CO 0.00 -0.43 0.51 0.72 -0.69 0.00 0.00 174.62 174.74 2ror s PHE 50 N -2.57 0.58 0.14 4.92 -0.71 0.24 -1.41 117.98 119.17 2ror s PHE 50 Ca 0.65 -0.94 -0.24 0.00 -1.04 0.00 0.00 56.93 55.36 2ror s PHE 50 Cb -0.19 0.17 0.08 0.00 -1.21 0.00 0.00 43.02 41.87 2ror s PHE 50 CO 0.48 -1.11 1.09 -0.48 -1.34 0.00 0.00 175.22 173.85 2ror s LEU 51 N -3.10 -0.02 -0.19 -1.99 0.05 -0.93 -1.63 118.68 110.87 2ror s LEU 51 Ca 0.24 -0.53 0.01 0.00 0.05 0.00 0.00 54.13 53.90 2ror s LEU 51 Cb -0.01 1.92 0.04 0.00 -2.05 0.00 0.00 46.19 46.10 2ror s LEU 51 CO 0.13 -0.82 -0.10 -0.69 -0.55 0.00 0.00 176.35 174.32 2ror s VAL 52 N -2.30 1.57 0.02 1.48 1.01 -1.26 -2.99 120.40 117.94 2ror s VAL 52 Ca 0.21 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2ror s VAL 52 Cb -0.02 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2ror s VAL 52 CO 0.03 0.17 -0.25 0.00 0.00 0.00 0.00 175.10 175.05 2ror s ARG 53 N 1.43 1.84 0.31 2.72 1.70 -0.05 -0.58 118.95 126.32 2ror s ARG 53 Ca -0.01 -0.99 0.02 0.00 -0.47 0.00 0.00 55.73 54.29 2ror s ARG 53 Cb -0.16 -1.90 -0.03 0.00 -0.57 0.00 0.00 34.95 32.29 2ror s ARG 53 CO -0.08 0.51 0.48 -1.14 -1.08 0.00 0.00 175.30 173.99 2ror s GLN 54 N -0.93 3.45 0.11 3.89 0.74 -1.22 0.11 119.66 125.80 2ror s GLN 54 Ca 0.10 -0.51 -0.10 0.00 0.05 0.00 0.00 55.36 54.91 2ror s GLN 54 Cb -0.10 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.21 2ror s GLN 54 CO 0.01 0.24 0.43 1.03 -0.55 0.00 0.00 175.29 176.44 2ror s ARG 55 N -4.20 3.77 -0.18 1.67 1.81 -0.05 -4.60 118.95 117.18 2ror s ARG 55 Ca 0.38 0.19 0.14 0.00 -1.72 0.00 0.00 55.73 54.72 2ror s ARG 55 Cb -0.09 -2.94 -0.24 0.00 -0.45 0.00 0.00 34.95 31.23 2ror s ARG 55 CO 0.33 0.52 0.14 1.55 -0.68 0.00 0.00 175.30 177.16 2ror n VAL 56 N 0.72 1.46 -0.33 3.52 3.14 -1.26 -4.12 118.33 121.45 2ror n VAL 56 Ca -0.06 -0.80 0.12 0.00 -2.96 0.00 0.00 64.34 60.63 2ror n VAL 56 Cb 0.52 -0.74 0.32 0.00 -1.06 0.00 0.00 33.84 32.88 2ror n VAL 56 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2ror h LYS 57 N 0.00 0.77 -1.22 1.45 5.09 -1.99 -3.39 116.57 117.29 2ror h LYS 57 Ca -0.50 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.19 2ror h LYS 57 Cb 2.15 -0.17 -0.23 0.00 0.10 0.00 0.00 32.23 34.08 2ror h LYS 57 CO 0.02 0.51 -0.37 0.34 -2.09 0.00 0.00 179.45 177.86 2ror s ASP 58 N -5.58 -1.01 1.01 7.07 2.15 -1.26 -5.16 116.67 113.88 2ror s ASP 58 Ca -0.11 0.40 -0.18 0.00 0.43 0.00 0.00 52.55 53.09 2ror s ASP 58 Cb 0.23 1.84 0.03 0.00 -0.30 0.00 0.00 42.92 44.72 2ror s ASP 58 CO 0.80 -0.29 -0.36 0.00 -0.17 0.00 0.00 175.17 175.15 2ror n ALA 59 N 5.41 -2.96 -2.28 3.66 0.00 -1.26 -3.92 120.51 119.16 2ror n ALA 59 Ca 0.01 -1.15 -0.09 0.00 0.00 0.00 0.00 53.44 52.21 2ror n ALA 59 Cb 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2ror n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ror n ALA 60 N -4.05 -0.30 -3.65 0.00 0.00 -1.26 -5.02 120.51 106.23 2ror n ALA 60 Ca 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2ror n ALA 60 Cb 0.54 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 2ror n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 61 N -4.60 0.25 0.46 0.00 2.02 -1.25 -4.33 118.70 111.25 2ror s GLU 61 Ca 0.03 0.89 0.07 0.00 0.02 0.00 0.00 54.97 55.98 2ror s GLU 61 Cb -0.02 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.33 2ror s GLU 61 CO 0.04 -0.29 0.30 -0.06 0.02 0.00 0.00 175.26 175.28 2ror s PHE 62 N 2.53 2.31 -0.04 1.61 0.08 -1.25 -0.87 117.98 122.34 2ror s PHE 62 Ca 0.00 -0.65 -0.23 0.00 0.12 0.00 0.00 56.93 56.17 2ror s PHE 62 Cb -0.12 -2.00 0.05 0.00 -0.57 0.00 0.00 43.02 40.38 2ror s PHE 62 CO -0.11 -0.11 0.51 0.00 -0.10 0.00 0.00 175.22 175.41 2ror s ALA 63 N -2.63 -1.31 -0.26 5.36 0.00 0.12 0.51 121.76 123.54 2ror s ALA 63 Ca 0.40 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2ror s ALA 63 Cb -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.16 2ror s ALA 63 CO 0.23 -0.32 -0.08 0.42 0.00 0.00 0.00 175.76 176.01 2ror s ILE 64 N -1.17 2.46 -0.21 0.00 1.01 -0.93 -0.87 121.20 121.48 2ror s ILE 64 Ca -0.12 -1.44 -0.09 0.00 0.00 0.00 0.00 60.65 59.01 2ror s ILE 64 Cb -0.03 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2ror s ILE 64 CO 0.07 0.02 0.10 -0.55 0.00 0.00 0.00 174.94 174.58 2ror s SER 65 N 1.18 5.76 0.01 3.58 0.15 -1.16 -2.33 113.70 120.88 2ror s SER 65 Ca -0.06 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2ror s SER 65 Cb -0.19 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2ror s SER 65 CO -0.05 0.11 -0.06 -0.51 1.20 0.00 0.00 173.24 173.94 2ror s ILE 66 N 0.74 0.47 -0.09 6.45 -1.16 -0.65 -2.18 121.20 124.79 2ror s ILE 66 Ca 0.05 -0.42 -0.25 0.00 -0.51 0.00 0.00 60.65 59.52 2ror s ILE 66 Cb -0.13 -0.43 -0.03 0.00 0.61 0.00 0.00 42.46 42.48 2ror s ILE 66 CO 0.02 0.02 0.78 -0.75 -2.81 0.00 0.00 174.94 172.20 2ror s LYS 67 N -0.44 4.41 -0.25 3.50 2.47 -0.50 -0.54 119.74 128.38 2ror s LYS 67 Ca -0.00 0.99 -0.26 0.00 -1.56 0.00 0.00 55.97 55.14 2ror s LYS 67 Cb -0.04 -3.49 0.12 0.00 -1.46 0.00 0.00 37.83 32.96 2ror s LYS 67 CO -0.00 -0.08 0.99 -0.47 0.16 0.00 0.00 175.35 175.95 2ror s TYR 68 N 1.27 -0.49 -0.94 4.03 5.04 0.62 -2.21 117.35 124.67 2ror s TYR 68 Ca 0.40 1.14 -0.00 0.00 -2.44 0.00 0.00 57.07 56.16 2ror s TYR 68 Cb -0.18 0.37 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 2ror s TYR 68 CO 0.18 -0.27 0.79 -1.71 -1.34 0.00 0.00 175.55 173.19 2ror n ASN 69 N 1.98 -2.33 -1.92 4.32 4.05 -1.26 -2.30 115.26 117.80 2ror n ASN 69 Ca -0.12 -0.50 -0.08 0.00 0.45 0.00 0.00 54.58 54.33 2ror n ASN 69 Cb 0.56 -4.17 -0.02 0.00 1.23 0.00 0.00 39.78 37.39 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 -3.43 -0.22 -3.66 3.44 0.24 -1.26 -4.87 118.33 108.58 2ror n VAL 70 Ca -0.22 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 2ror n VAL 70 Cb 0.63 -1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 31.91 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 -3.98 0.78 -0.25 7.34 0.41 -0.97 -5.14 118.70 116.88 2ror s GLU 71 Ca 0.00 0.24 -0.17 0.00 -0.41 0.00 0.00 54.97 54.63 2ror s GLU 71 Cb 0.00 0.37 -0.03 0.00 -1.78 0.00 0.00 34.13 32.69 2ror s GLU 71 CO 0.00 -0.20 0.48 0.08 -0.49 0.00 0.00 175.26 175.13 2ror s VAL 72 N -0.80 5.10 0.36 2.63 1.01 -1.26 -0.28 120.40 127.16 2ror s VAL 72 Ca -0.09 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2ror s VAL 72 Cb -0.03 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ror s VAL 72 CO 0.05 0.12 0.55 -0.54 0.00 0.00 0.00 175.10 175.28 2ror s LYS 73 N 2.14 3.40 -0.09 2.72 -0.14 0.29 -4.93 119.74 123.14 2ror s LYS 73 Ca 0.20 -0.41 -0.07 0.00 -1.36 0.00 0.00 55.97 54.33 2ror s LYS 73 Cb -0.16 -2.67 0.03 0.00 -1.68 0.00 0.00 37.83 33.36 2ror s LYS 73 CO 0.09 0.09 0.23 -1.01 -0.76 0.00 0.00 175.35 174.00 2ror s HIS 74 N -2.33 -0.27 0.02 3.18 3.76 -1.26 -1.63 115.29 116.76 2ror s HIS 74 Ca 0.41 0.66 0.09 0.00 -0.15 0.00 0.00 55.06 56.07 2ror s HIS 74 Cb -0.10 0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.63 2ror s HIS 74 CO 0.36 -0.16 -0.26 0.42 -0.85 0.00 0.00 174.74 174.25 2ror s ILE 75 N 0.55 2.05 -0.06 0.60 1.01 -0.98 -4.97 121.20 119.39 2ror s ILE 75 Ca -0.04 -1.26 -0.15 0.00 0.00 0.00 0.00 60.65 59.21 2ror s ILE 75 Cb -0.05 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2ror s ILE 75 CO -0.03 0.43 0.40 -0.75 0.00 0.00 0.00 174.94 174.99 2ror s LYS 76 N -0.98 4.07 0.05 2.79 2.20 -1.26 -2.20 119.74 124.41 2ror s LYS 76 Ca 0.11 0.35 0.03 0.00 -0.36 0.00 0.00 55.97 56.09 2ror s LYS 76 Cb -0.10 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2ror s LYS 76 CO 0.01 0.48 0.01 0.42 -0.36 0.00 0.00 175.35 175.91 2ror s ILE 77 N -0.36 4.16 0.14 5.43 1.01 0.18 -4.71 121.20 127.05 2ror s ILE 77 Ca 0.23 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.16 2ror s ILE 77 Cb -0.15 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2ror s ILE 77 CO 0.11 0.22 -0.19 -0.04 0.00 0.00 0.00 174.94 175.04 2ror s MET 78 N -2.02 1.21 -0.08 2.79 -1.94 -1.24 -3.81 119.30 114.22 2ror s MET 78 Ca 0.24 -1.32 -0.06 0.00 -1.71 0.00 0.00 55.69 52.83 2ror s MET 78 Cb -0.12 -1.32 0.03 0.00 2.01 0.00 0.00 34.83 35.43 2ror s MET 78 CO 0.16 0.28 0.20 0.95 -0.01 0.00 0.00 175.02 176.60 2ror s THR 79 N -1.79 -0.01 0.01 2.05 -4.23 -1.26 -3.12 115.64 107.29 2ror s THR 79 Ca 0.13 0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2ror s THR 79 Cb -0.07 -0.30 -0.00 0.00 1.34 0.00 0.00 72.50 73.47 2ror s THR 79 CO 0.06 0.02 -0.01 0.00 -0.54 0.00 0.00 174.62 174.15 2ror n ALA 80 N 3.37 2.40 -2.21 3.99 0.00 -1.25 -4.88 120.51 121.94 2ror n ALA 80 Ca -0.17 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 2ror n ALA 80 Cb 0.57 0.03 0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.65 3.43 -0.95 0.00 1.02 -1.26 -4.85 120.64 115.38 2ror n GLU 81 Ca -0.00 -4.25 0.00 0.00 -0.02 0.00 0.00 57.16 52.88 2ror n GLU 81 Cb 0.01 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 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 -0.60 0.57 3.36 0.62 0.00 -1.26 -5.06 105.19 102.83 2ror n GLY 82 Ca 0.43 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 2.43 -0.19 0.99 1.43 -1.26 -4.68 118.68 117.40 2ror s LEU 83 Ca 0.00 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2ror s LEU 83 Cb 0.00 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2ror s LEU 83 CO 0.00 0.27 0.01 -0.31 0.23 0.00 0.00 176.35 176.54 2ror s TYR 84 N -0.27 3.07 -0.28 0.29 1.51 -1.23 -3.78 117.35 116.66 2ror s TYR 84 Ca 0.01 -0.34 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 2ror s TYR 84 Cb -0.13 -2.07 0.09 0.00 -0.11 0.00 0.00 41.96 39.74 2ror s TYR 84 CO 0.03 -0.15 0.77 -0.98 -1.11 0.00 0.00 175.55 174.11 2ror s ARG 85 N 0.83 0.66 0.13 -0.62 1.70 -1.18 -1.99 118.95 118.47 2ror s ARG 85 Ca 0.01 1.04 0.23 0.00 -0.47 0.00 0.00 55.73 56.54 2ror s ARG 85 Cb -0.14 0.18 0.01 0.00 -0.57 0.00 0.00 34.95 34.43 2ror s ARG 85 CO 0.02 -0.12 1.00 0.44 -1.08 0.00 0.00 175.30 175.56 2ror n ILE 86 N 3.78 0.41 -4.16 4.99 -5.35 -1.26 -3.61 119.36 114.16 2ror n ILE 86 Ca -0.18 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 61.75 2ror n ILE 86 Cb 0.58 -0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.23 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 -3.32 0.54 0.14 7.28 -4.23 -1.26 -4.99 115.64 109.81 2ror s THR 87 Ca 0.00 -1.92 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 2ror s THR 87 Cb 0.12 -1.76 -0.18 0.00 1.34 0.00 0.00 72.50 72.02 2ror s THR 87 CO 0.80 -0.79 1.33 1.05 -0.54 0.00 0.00 174.62 176.47 2ror h GLU 88 N 2.95 0.03 0.43 3.99 4.11 -2.04 -3.33 114.58 120.71 2ror h GLU 88 Ca -0.35 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.02 2ror h GLU 88 Cb 1.17 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2ror h GLU 88 CO 0.64 0.95 -0.26 0.87 0.07 0.00 0.00 179.01 181.29 2ror h LYS 89 N 0.01 -0.63 -6.13 1.06 1.57 -2.02 -3.42 116.57 107.01 2ror h LYS 89 Ca -0.02 0.04 -0.69 0.00 -1.87 0.00 0.00 60.65 58.12 2ror h LYS 89 Cb 1.66 0.14 -0.19 0.00 0.08 0.00 0.00 32.23 33.92 2ror h LYS 89 CO 0.13 -0.42 -0.69 0.21 -0.57 0.00 0.00 179.45 178.11 2ror s LYS 90 N -6.08 2.76 0.09 3.15 2.36 -1.25 -5.12 119.74 115.65 2ror s LYS 90 Ca -0.16 -0.54 0.02 0.00 -2.55 0.00 0.00 55.97 52.74 2ror s LYS 90 Cb 0.05 -2.60 -0.04 0.00 -1.05 0.00 0.00 37.83 34.19 2ror s LYS 90 CO 0.63 0.67 -0.08 0.00 1.55 0.00 0.00 175.35 178.12 2ror s ALA 91 N -0.82 0.93 0.38 3.13 0.00 -1.26 -4.19 121.76 119.93 2ror s ALA 91 Ca 0.12 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.95 2ror s ALA 91 Cb -0.11 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ror s ALA 91 CO 0.01 -0.13 0.09 -0.06 0.00 0.00 0.00 175.76 175.68 2ror s PHE 92 N -2.77 1.85 -0.04 0.00 0.40 -0.84 -5.03 117.98 111.54 2ror s PHE 92 Ca 0.05 -1.13 0.06 0.00 -0.60 0.00 0.00 56.93 55.31 2ror s PHE 92 Cb -0.01 -1.23 -0.09 0.00 0.51 0.00 0.00 43.02 42.20 2ror s PHE 92 CO -0.02 -0.15 0.08 2.89 0.70 0.00 0.00 175.22 178.72 2ror n ARG 93 N -0.83 1.82 -3.74 0.44 1.85 -1.26 -3.52 116.66 111.41 2ror n ARG 93 Ca -0.05 -0.03 -0.14 0.00 -1.00 0.00 0.00 57.85 56.63 2ror n ARG 93 Cb 0.66 -1.17 -0.15 0.00 -1.05 0.00 0.00 32.46 30.75 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2ror s GLY 94 N -3.42 -0.02 0.24 2.89 0.00 -1.26 -4.55 107.32 101.20 2ror s GLY 94 Ca -0.03 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.30 2ror s GLY 94 CO 0.29 1.06 1.29 -0.10 0.00 0.00 0.00 173.10 175.64 2ror n LEU 95 N 4.33 -0.24 -0.06 0.66 7.94 -1.26 -0.08 117.00 128.29 2ror n LEU 95 Ca -0.24 1.42 -0.15 0.00 -1.11 0.00 0.00 56.01 55.93 2ror n LEU 95 Cb 0.51 -0.45 -0.10 0.00 0.53 0.00 0.00 43.42 43.91 2ror n LEU 95 CO 0.16 -1.38 0.51 0.74 -1.11 0.00 0.00 177.39 176.31 2ror h THR 96 N 0.00 0.01 -0.75 1.96 2.02 -2.00 -0.75 112.91 113.40 2ror h THR 96 Ca 0.43 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.76 2ror h THR 96 Cb 0.72 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 67.04 2ror h THR 96 CO -0.83 0.00 0.27 -0.33 0.37 0.00 0.00 175.52 175.00 2ror h GLU 97 N -0.51 0.38 -0.40 6.66 4.39 -0.89 0.45 114.58 124.65 2ror h GLU 97 Ca 0.05 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.84 2ror h GLU 97 Cb 0.65 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2ror h GLU 97 CO -0.50 0.25 0.33 1.25 -1.16 0.00 0.00 179.01 179.18 2ror h LEU 98 N 0.39 0.00 0.00 1.33 6.46 -0.61 0.21 115.31 123.09 2ror h LEU 98 Ca 0.42 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.94 2ror h LEU 98 Cb 0.67 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 2ror h LEU 98 CO -0.44 0.00 -1.33 0.52 -0.62 0.00 0.00 178.44 176.57 2ror n VAL 99 N -4.12 1.52 0.37 1.05 0.31 0.12 -3.32 118.33 114.26 2ror n VAL 99 Ca 0.07 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.39 2ror n VAL 99 Cb 0.51 -2.06 0.19 0.00 -0.91 0.00 0.00 33.84 31.58 2ror n VAL 99 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ror n GLU 100 N -4.43 0.12 -0.13 5.55 -0.58 0.81 -2.60 120.64 119.38 2ror n GLU 100 Ca -0.32 0.20 -0.26 0.00 -0.42 0.00 0.00 57.16 56.36 2ror n GLU 100 Cb 0.67 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.27 0.35 -0.35 -0.32 7.35 0.72 -4.41 117.46 119.53 2ror n PHE 101 Ca 0.04 0.15 0.14 0.00 -0.76 0.00 0.00 57.45 57.02 2ror n PHE 101 Cb 0.06 -1.01 0.33 0.00 0.35 0.00 0.00 39.48 39.21 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 -1.00 1.06 -0.06 -5.13 0.05 -1.50 0.29 116.97 110.68 2ror h TYR 102 Ca -0.55 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.28 2ror h TYR 102 Cb 1.47 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 2ror h TYR 102 CO -0.04 0.22 0.56 1.96 -1.05 0.00 0.00 178.16 179.80 2ror h GLN 103 N 0.74 0.00 0.00 4.88 4.20 -1.74 0.26 115.11 123.45 2ror h GLN 103 Ca 0.59 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.99 2ror h GLN 103 Cb 0.94 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 2ror h GLN 103 CO -0.39 0.00 -2.13 1.04 -0.67 0.00 0.00 178.83 176.68 2ror n GLN 104 N -2.85 1.17 -3.81 1.46 3.00 0.96 -4.88 117.38 112.44 2ror n GLN 104 Ca -0.00 0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 2ror n GLN 104 Cb 0.61 -1.42 -0.13 0.00 0.00 0.00 0.00 30.24 29.30 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 -5.21 5.06 0.17 1.08 2.20 0.92 -5.07 114.94 114.09 2ror s ASN 105 Ca -0.12 -1.02 -0.33 0.00 -0.94 0.00 0.00 52.86 50.45 2ror s ASN 105 Cb 0.05 -1.82 -0.15 0.00 -2.00 0.00 0.00 41.25 37.33 2ror s ASN 105 CO 0.63 -0.25 1.25 -0.24 -2.94 0.00 0.00 177.10 175.55 2ror n SER 106 N 4.77 1.71 0.33 3.54 2.88 -1.25 -4.53 113.62 121.07 2ror n SER 106 Ca -0.14 1.14 0.22 0.00 -1.33 0.00 0.00 58.87 58.76 2ror n SER 106 Cb 0.46 -1.26 1.17 0.00 -0.75 0.00 0.00 64.21 63.83 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ror h LEU 107 N 3.81 0.00 -2.19 2.46 3.38 -1.67 -1.55 115.31 119.55 2ror h LEU 107 Ca -0.44 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2ror h LEU 107 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2ror h LEU 107 CO 0.73 0.00 0.26 0.07 0.09 0.00 0.00 178.44 179.59 2ror h LYS 108 N 0.00 0.00 -0.54 1.13 2.10 -1.11 0.04 116.57 118.19 2ror h LYS 108 Ca 0.00 0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.81 2ror h LYS 108 Cb 0.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 2ror h LYS 108 CO -0.00 0.00 0.39 -0.44 -2.00 0.00 0.00 179.45 177.40 2ror h ASP 109 N 0.00 0.00 0.00 7.07 3.32 -1.55 -3.24 116.42 122.02 2ror h ASP 109 Ca 0.09 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 2ror h ASP 109 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2ror h ASP 109 CO -0.00 0.00 -1.50 0.00 -1.72 0.00 0.00 179.24 176.02 2ror s PHE 111 N -2.17 3.53 0.61 0.00 0.08 -0.26 -4.90 117.98 114.87 2ror s PHE 111 Ca -0.12 -1.87 0.29 0.00 0.12 0.00 0.00 56.93 55.35 2ror s PHE 111 Cb 0.05 -3.69 1.52 0.00 -0.57 0.00 0.00 43.02 40.33 2ror s PHE 111 CO 0.16 -0.98 1.91 1.57 -0.10 0.00 0.00 175.22 177.78 2ror h LYS 112 N 8.10 0.00 -0.13 0.44 -0.00 -1.83 0.31 116.57 123.46 2ror h LYS 112 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.47 2ror h LYS 112 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.27 2ror h LYS 112 CO 0.84 0.00 -0.41 0.66 -0.00 0.00 0.00 179.45 180.54 2ror h SER 113 N 0.00 0.30 -3.20 7.07 4.64 -1.90 -3.39 113.55 117.08 2ror h SER 113 Ca 0.13 -0.13 -0.75 0.00 -0.47 0.00 0.00 61.79 60.58 2ror h SER 113 Cb 0.97 -0.08 -0.25 0.00 -0.31 0.00 0.00 62.40 62.72 2ror h SER 113 CO -0.00 0.69 -0.29 -0.76 -0.87 0.00 0.00 176.83 175.60 2ror s LEU 114 N -8.28 5.91 -0.27 5.97 1.02 0.11 -4.92 118.68 118.22 2ror s LEU 114 Ca -0.05 -1.70 0.03 0.00 0.02 0.00 0.00 54.13 52.42 2ror s LEU 114 Cb 0.13 -2.15 0.40 0.00 0.02 0.00 0.00 46.19 44.59 2ror s LEU 114 CO 0.78 -0.76 1.54 -0.67 0.02 0.00 0.00 176.35 177.26 2ror n ASP 115 N 5.15 3.46 -3.83 2.29 2.03 -1.26 -0.82 116.55 123.57 2ror n ASP 115 Ca -0.12 -2.96 -0.14 0.00 0.52 0.00 0.00 54.79 52.09 2ror n ASP 115 Cb 0.41 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.03 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 -1.98 0.00 0.26 5.18 -1.32 -1.26 -4.87 115.64 111.65 2ror s THR 116 Ca 0.34 -1.88 0.02 0.00 -1.21 0.00 0.00 61.69 58.95 2ror s THR 116 Cb 0.29 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 2ror s THR 116 CO 0.07 0.00 0.14 0.28 -2.21 0.00 0.00 174.62 172.89 2ror s THR 117 N -3.81 0.29 -0.43 5.08 -1.32 -1.26 -2.23 115.64 111.95 2ror s THR 117 Ca 0.37 -2.00 -0.33 0.00 -1.21 0.00 0.00 61.69 58.52 2ror s THR 117 Cb 0.04 -2.55 -0.11 0.00 -1.51 0.00 0.00 72.50 68.37 2ror s THR 117 CO 0.17 0.00 2.28 0.18 -2.21 0.00 0.00 174.62 175.04 2ror n LEU 118 N -0.46 2.03 -0.10 9.08 4.77 -1.26 -4.80 117.00 126.26 2ror n LEU 118 Ca 0.01 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 2ror n LEU 118 Cb 0.65 -1.29 -0.12 0.00 -2.33 0.00 0.00 43.42 40.34 2ror n LEU 118 CO 0.35 -0.85 -0.91 0.00 -1.33 0.00 0.00 177.39 174.64 2ror n GLN 119 N 8.38 0.62 -3.80 3.23 6.02 -0.88 -4.53 117.38 126.43 2ror n GLN 119 Ca 0.43 0.39 -0.13 0.00 -0.01 0.00 0.00 57.00 57.68 2ror n GLN 119 Cb 0.27 -1.65 -0.13 0.00 1.02 0.00 0.00 30.24 29.75 2ror n GLN 119 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2ror s PHE 120 N -2.45 -0.19 0.00 1.08 0.08 -1.02 -4.86 117.98 110.62 2ror s PHE 120 Ca -0.31 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.22 2ror s PHE 120 Cb 0.09 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.58 2ror s PHE 120 CO 0.60 -0.11 0.00 -0.35 -0.10 0.00 0.00 175.22 175.26 2ror n PRO 121 N 3.26 -0.34 0.07 0.24 -0.04 -1.26 0.81 135.00 137.74 2ror n PRO 121 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 2ror n PRO 121 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.17 0.66 0.00 0.54 3.57 -1.46 -3.36 116.94 115.72 2ror h PHE 122 Ca 0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2ror h PHE 122 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2ror h PHE 122 CO 0.00 1.20 -0.30 1.63 -2.23 0.00 0.00 178.31 178.61 2ror n LYS 123 N -3.74 0.24 -3.63 1.11 5.02 -1.04 -5.05 118.16 111.07 2ror n LYS 123 Ca -0.07 0.36 -0.05 0.00 -2.02 0.00 0.00 58.31 56.53 2ror n LYS 123 Cb 0.86 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.69 0.23 0.70 1.97 1.03 -1.26 -5.13 118.70 114.56 2ror s GLU 124 Ca -0.09 0.11 -0.13 0.00 0.03 0.00 0.00 54.97 54.89 2ror s GLU 124 Cb 0.01 0.11 0.02 0.00 -0.80 0.00 0.00 34.13 33.47 2ror s GLU 124 CO 0.13 -0.06 1.10 -1.25 -1.33 0.00 0.00 175.26 173.85 2ror s PRO 125 N -0.70 2.59 -0.06 -4.83 0.04 -1.26 -4.58 135.00 126.20 2ror s PRO 125 Ca 0.05 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.44 2ror s PRO 125 Cb -0.02 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2ror s PRO 125 CO -0.07 -1.40 -0.19 -2.00 0.04 0.00 0.00 177.00 173.38 2ror s GLU 126 N -4.40 2.61 -0.66 4.56 2.12 -1.26 -5.04 118.70 116.63 2ror s GLU 126 Ca 0.65 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 2ror s GLU 126 Cb -0.19 -2.31 0.17 0.00 0.26 0.00 0.00 34.13 32.06 2ror s GLU 126 CO 0.47 0.47 0.50 -1.59 -0.54 0.00 0.00 175.26 174.57 2ror s LYS 127 N -0.36 2.74 -0.30 4.30 -2.85 -1.26 -5.00 119.74 117.02 2ror s LYS 127 Ca 0.03 -2.52 -0.16 0.00 -1.00 0.00 0.00 55.97 52.32 2ror s LYS 127 Cb -0.12 -3.85 0.17 0.00 -2.06 0.00 0.00 37.83 31.96 2ror s LYS 127 CO 0.02 -1.19 1.04 0.50 0.10 0.00 0.00 175.35 175.82 2ror s ARG 128 N -0.02 0.27 -0.48 1.78 3.52 -1.26 -5.13 118.95 117.64 2ror s ARG 128 Ca 0.17 0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 56.15 2ror s ARG 128 Cb -0.19 0.23 0.05 0.00 -1.56 0.00 0.00 34.95 33.48 2ror s ARG 128 CO -0.04 -0.07 0.57 0.95 -0.81 0.00 0.00 175.30 175.89 2ror s THR 129 N 1.89 4.95 -0.27 4.11 -4.23 -1.26 -5.01 115.64 115.81 2ror s THR 129 Ca -0.05 -0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.79 2ror s THR 129 Cb -0.04 -4.21 0.08 0.00 1.34 0.00 0.00 72.50 69.66 2ror s THR 129 CO -0.16 -0.67 0.74 -0.51 -0.54 0.00 0.00 174.62 173.48 2ror s ILE 130 N 2.46 0.00 -0.20 2.99 2.07 -1.26 -5.17 121.20 122.09 2ror s ILE 130 Ca 0.14 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.23 2ror s ILE 130 Cb -0.18 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.46 2ror s ILE 130 CO 0.13 0.00 0.51 -0.55 -1.91 0.00 0.00 174.94 173.12 2ror s SER 131 N 0.54 -0.59 -0.54 4.50 0.15 -1.26 -5.04 113.70 111.46 2ror s SER 131 Ca -0.01 1.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.68 2ror s SER 131 Cb -0.05 1.02 0.31 0.00 -1.71 0.00 0.00 66.02 65.59 2ror s SER 131 CO -0.02 -0.19 2.11 0.54 1.20 0.00 0.00 173.24 176.88 2ror n ARG 132 N 3.41 2.35 -1.67 5.44 3.00 -1.26 -4.99 116.66 122.95 2ror n ARG 132 Ca -0.17 -2.60 -0.49 0.00 -0.01 0.00 0.00 57.85 54.57 2ror n ARG 132 Cb 0.56 -2.03 -0.05 0.00 0.00 0.00 0.00 32.46 30.94 2ror n ARG 132 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2ror n SER 133 N -0.23 2.87 -4.18 0.55 3.41 -1.26 -4.97 113.62 109.82 2ror n SER 133 Ca 0.49 1.05 -0.24 0.00 -0.26 0.00 0.00 58.87 59.91 2ror n SER 133 Cb 0.57 -1.33 -0.09 0.00 -0.26 0.00 0.00 64.21 63.11 2ror n SER 133 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ror s GLY 134 N 2.32 2.43 1.14 5.00 0.00 -1.26 -5.16 107.32 111.78 2ror s GLY 134 Ca 0.87 -1.46 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 2ror s GLY 134 CO 0.48 -1.80 1.10 2.56 0.00 0.00 0.00 173.10 175.45 2ror s PRO 135 N -3.77 -0.70 -0.06 2.90 0.04 -1.26 -5.09 135.00 127.06 2ror s PRO 135 Ca 0.28 0.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 2ror s PRO 135 Cb 0.04 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 33.00 2ror s PRO 135 CO 0.15 -3.40 0.62 0.45 0.04 0.00 0.00 177.00 174.86 2ror s SER 136 N -3.74 -0.59 0.09 6.66 0.15 -1.26 -5.07 113.70 109.93 2ror s SER 136 Ca 0.69 0.67 -0.34 0.00 0.70 0.00 0.00 55.95 57.67 2ror s SER 136 Cb -0.13 0.57 -0.15 0.00 -1.71 0.00 0.00 66.02 64.60 2ror s SER 136 CO 0.57 -0.56 1.53 -1.28 1.20 0.00 0.00 173.24 174.70 2ror h SER 137 N 3.30 -1.40 0.00 5.45 0.87 -2.11 -3.58 113.55 116.08 2ror h SER 137 Ca -0.28 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2ror h SER 137 Cb 1.15 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2ror h SER 137 CO 0.37 -0.60 0.00 0.61 -0.53 0.00 0.00 176.83 176.68