#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 -2.15 -4.56 1.61 3.41 -1.26 -4.76 113.62 105.92 2ror n SER 2 Ca 0.00 -1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 57.21 2ror n SER 2 Cb 0.00 -2.35 -0.04 0.00 -0.26 0.00 0.00 64.21 61.55 2ror n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ror s SER 3 N -3.51 4.84 -0.24 4.04 0.01 -1.26 -4.91 113.70 112.67 2ror s SER 3 Ca 0.61 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.97 2ror s SER 3 Cb -0.34 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.41 2ror s SER 3 CO 0.96 -2.85 -0.07 -0.83 0.41 0.00 0.00 173.24 170.86 2ror s GLY 4 N 9.27 1.38 -1.75 3.44 0.00 -1.26 -4.79 107.32 113.61 2ror s GLY 4 Ca 0.78 -1.45 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 2ror s GLY 4 CO 0.12 0.82 0.51 -1.14 0.00 0.00 0.00 173.10 173.41 2ror n SER 5 N 4.61 -1.49 -4.02 1.64 3.41 -1.26 -4.89 113.62 111.62 2ror n SER 5 Ca -0.13 -1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 57.00 2ror n SER 5 Cb 0.44 -1.94 0.24 0.00 -0.26 0.00 0.00 64.21 62.68 2ror n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ror s SER 6 N -3.56 0.92 0.00 4.04 0.01 -1.26 -5.05 113.70 108.79 2ror s SER 6 Ca 0.60 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2ror s SER 6 Cb -0.34 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2ror s SER 6 CO 0.99 -4.15 0.00 0.61 0.41 0.00 0.00 173.24 171.10 2ror n GLY 7 N -0.38 0.23 3.40 3.44 0.00 -1.26 -5.03 105.19 105.59 2ror n GLY 7 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2ror n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ror n LYS 8 N -0.74 -7.20 -2.24 1.61 5.02 -1.26 -4.94 118.16 108.40 2ror n LYS 8 Ca 0.00 0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 56.64 2ror n LYS 8 Cb 0.00 -5.59 -0.03 0.00 -0.02 0.00 0.00 35.03 29.39 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ror s ALA 9 N -3.29 3.49 -0.30 7.82 0.00 -1.26 -4.95 121.76 123.28 2ror s ALA 9 Ca 0.53 1.11 0.14 0.00 0.00 0.00 0.00 51.96 53.73 2ror s ALA 9 Cb -0.23 -3.45 0.47 0.00 0.00 0.00 0.00 23.12 19.91 2ror s ALA 9 CO 0.65 -0.49 1.12 0.39 0.00 0.00 0.00 175.76 177.43 2ror n GLU 10 N 1.90 2.62 -3.14 0.00 1.02 -1.26 -5.05 120.64 116.74 2ror n GLU 10 Ca 0.03 -3.86 -0.42 0.00 -0.02 0.00 0.00 57.16 52.89 2ror n GLU 10 Cb 0.43 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 29.87 2ror n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ror s ALA 11 N -3.62 3.45 0.28 0.62 0.00 -1.26 -5.01 121.76 116.22 2ror s ALA 11 Ca 0.39 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 2ror s ALA 11 Cb 0.38 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.38 2ror s ALA 11 CO -0.02 -1.37 0.79 -1.83 0.00 0.00 0.00 175.76 173.33 2ror s GLU 12 N 2.66 1.80 -0.72 0.00 1.03 -1.26 -5.11 118.70 117.09 2ror s GLU 12 Ca 0.23 -1.05 0.00 0.00 0.03 0.00 0.00 54.97 54.18 2ror s GLU 12 Cb -0.15 0.57 0.18 0.00 -0.80 0.00 0.00 34.13 33.94 2ror s GLU 12 CO 0.15 -0.83 0.55 -0.65 -1.33 0.00 0.00 175.26 173.15 2ror s GLN 13 N -3.34 2.72 -0.80 -4.83 -1.52 -1.26 -4.99 119.66 105.65 2ror s GLN 13 Ca 0.13 -2.98 0.02 0.00 -1.95 0.00 0.00 55.36 50.57 2ror s GLN 13 Cb -0.05 -3.69 0.19 0.00 -0.22 0.00 0.00 33.01 29.24 2ror s GLN 13 CO 0.07 -1.22 0.63 -0.80 -0.25 0.00 0.00 175.29 173.72 2ror s ASN 14 N -0.19 5.41 -0.63 5.90 -0.87 -1.26 -4.96 114.94 118.34 2ror s ASN 14 Ca 0.22 -3.78 0.06 0.00 -1.57 0.00 0.00 52.86 47.79 2ror s ASN 14 Cb -0.13 -1.77 0.21 0.00 -0.02 0.00 0.00 41.25 39.54 2ror s ASN 14 CO -0.09 -0.14 0.60 -2.67 -2.57 0.00 0.00 177.10 172.23 2ror n TRP 15 N 2.17 2.79 0.00 2.20 4.27 -1.26 -4.77 117.44 122.83 2ror n TRP 15 Ca 0.20 -4.10 0.00 0.00 -3.89 0.00 0.00 57.50 49.71 2ror n TRP 15 Cb 0.36 -0.50 0.00 0.00 -1.36 0.00 0.00 31.31 29.81 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 2ror n TRP 16 N 1.49 0.00 -2.92 -2.67 2.14 -1.26 -4.94 117.44 109.29 2ror n TRP 16 Ca 0.25 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.38 2ror n TRP 16 Cb 0.40 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.88 2ror n TRP 16 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 2ror s GLU 17 N -1.64 3.69 -0.58 -2.67 -1.05 -1.26 -4.95 118.70 110.24 2ror s GLU 17 Ca 0.00 -1.90 -0.24 0.00 -0.15 0.00 0.00 54.97 52.68 2ror s GLU 17 Cb 0.00 -4.96 -0.15 0.00 -0.44 0.00 0.00 34.13 28.58 2ror s GLU 17 CO 0.00 -1.79 1.74 0.41 0.95 0.00 0.00 175.26 176.57 2ror n GLY 18 N 5.28 -0.26 3.67 -3.83 0.00 -1.26 -4.86 105.19 103.93 2ror n GLY 18 Ca 0.27 0.79 -0.28 0.00 0.00 0.00 0.00 46.02 46.80 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 5.55 0.28 0.66 1.61 0.04 -1.26 -5.05 135.00 136.82 2ror s PRO 19 Ca 0.91 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 2ror s PRO 19 Cb -0.93 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.05 2ror s PRO 19 CO 0.38 -2.83 0.58 -0.35 0.04 0.00 0.00 177.00 174.83 2ror n PRO 20 N -4.24 -2.16 -0.90 0.56 -0.04 -1.26 -4.97 135.00 121.99 2ror n PRO 20 Ca 0.05 -0.94 -0.34 0.00 -0.04 0.00 0.00 63.50 62.23 2ror n PRO 20 Cb 0.57 -0.88 0.08 0.00 -0.04 0.00 0.00 33.50 33.24 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 -3.30 -0.15 -2.97 0.54 -0.06 -1.26 -4.86 117.38 105.32 2ror n GLN 21 Ca 0.08 -0.02 -0.44 0.00 -2.00 0.00 0.00 57.00 54.62 2ror n GLN 21 Cb 0.31 -1.44 -0.04 0.00 -4.06 0.00 0.00 30.24 25.01 2ror n GLN 21 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 2ror s ASP 22 N -1.52 6.27 0.63 1.69 1.47 -1.26 -4.88 116.67 119.06 2ror s ASP 22 Ca 0.49 -1.37 0.19 0.00 1.18 0.00 0.00 52.55 53.04 2ror s ASP 22 Cb -0.20 -2.37 0.77 0.00 -0.34 0.00 0.00 42.92 40.79 2ror s ASP 22 CO 0.75 -1.24 1.34 -0.07 0.68 0.00 0.00 175.17 176.63 2ror h LEU 23 N 10.60 0.00 -0.99 2.11 3.38 -1.96 0.24 115.31 128.69 2ror h LEU 23 Ca -0.21 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.10 2ror h LEU 23 Cb 1.07 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 2ror h LEU 23 CO 1.13 0.00 0.53 0.77 0.09 0.00 0.00 178.44 180.96 2ror h SER 24 N 0.00 0.41 -0.88 -0.43 4.64 -1.89 0.41 113.55 115.82 2ror h SER 24 Ca 0.27 0.21 0.22 0.00 -0.47 0.00 0.00 61.79 62.02 2ror h SER 24 Cb 2.25 0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 64.39 2ror h SER 24 CO -0.00 -0.21 0.32 -0.37 -0.87 0.00 0.00 176.83 175.70 2ror h VAL 25 N 0.24 0.42 -4.22 0.95 -1.51 -1.32 -3.41 116.25 107.39 2ror h VAL 25 Ca 0.75 -0.11 -0.53 0.00 -1.23 0.00 0.00 66.70 65.58 2ror h VAL 25 Cb 1.75 0.07 0.17 0.00 -2.13 0.00 0.00 31.29 31.15 2ror h VAL 25 CO -0.65 0.06 0.33 -1.00 -1.23 0.00 0.00 177.57 175.07 2ror s HIS 26 N -5.91 1.98 -2.00 5.19 4.02 0.14 -4.87 115.29 113.84 2ror s HIS 26 Ca -0.12 1.66 0.19 0.00 1.02 0.00 0.00 55.06 57.82 2ror s HIS 26 Cb 0.25 -3.38 1.16 0.00 -1.02 0.00 0.00 32.58 29.60 2ror s HIS 26 CO 0.77 -2.57 1.56 1.28 1.02 0.00 0.00 174.74 176.81 2ror n LEU 27 N -3.29 0.00 -3.73 0.89 4.77 -1.26 -4.59 117.00 109.79 2ror n LEU 27 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2ror n LEU 27 Cb 0.51 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2ror n LEU 27 CO 0.49 0.00 -0.30 -1.66 -1.33 0.00 0.00 177.39 174.59 2ror s TRP 28 N -2.00 -0.04 0.00 -1.77 1.48 -1.26 -1.28 118.94 114.07 2ror s TRP 28 Ca 0.29 0.31 -0.14 0.00 -1.06 0.00 0.00 56.10 55.50 2ror s TRP 28 Cb 0.13 -0.25 0.02 0.00 -1.16 0.00 0.00 33.47 32.21 2ror s TRP 28 CO 0.23 -0.15 0.31 -0.47 -4.06 0.00 0.00 176.95 172.80 2ror s TYR 29 N 1.49 -0.16 -0.26 1.66 5.04 -1.26 -4.62 117.35 119.24 2ror s TYR 29 Ca -0.05 0.18 -0.03 0.00 -2.44 0.00 0.00 57.07 54.74 2ror s TYR 29 Cb -0.12 0.09 0.15 0.00 0.35 0.00 0.00 41.96 42.43 2ror s TYR 29 CO -0.04 -0.42 0.46 0.00 -1.34 0.00 0.00 175.55 174.21 2ror s ALA 30 N -1.65 -1.51 0.99 3.97 0.00 -0.36 -4.63 121.76 118.58 2ror s ALA 30 Ca -0.11 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2ror s ALA 30 Cb -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2ror s ALA 30 CO 0.02 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.96 2ror n GLY 31 N 5.39 -3.09 0.00 0.00 0.00 -1.26 -3.53 105.19 102.70 2ror n GLY 31 Ca -0.03 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.93 1.61 -0.04 -1.26 -3.30 135.00 131.57 2ror n PRO 32 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2ror n PRO 32 Cb 0.00 -1.33 -0.02 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 -0.83 0.00 -2.51 0.54 1.56 -1.26 -4.91 117.12 109.71 2ror n MET 33 Ca 0.08 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.27 2ror n MET 33 Cb 0.04 -0.66 0.04 0.00 2.15 0.00 0.00 33.22 34.78 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 -0.66 2.63 0.02 2.12 -1.05 -1.26 -4.81 118.70 115.69 2ror s GLU 34 Ca 0.42 -0.38 -0.04 0.00 -0.15 0.00 0.00 54.97 54.82 2ror s GLU 34 Cb -0.61 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 30.72 2ror s GLU 34 CO 0.37 -0.79 0.88 -2.13 0.95 0.00 0.00 175.26 174.54 2ror n ARG 35 N -2.53 -0.06 -0.17 -4.83 0.00 -1.26 -0.13 116.66 107.68 2ror n ARG 35 Ca 0.06 0.87 -0.02 0.00 -0.00 0.00 0.00 57.85 58.76 2ror n ARG 35 Cb 0.59 -1.30 0.06 0.00 0.00 0.00 0.00 32.46 31.81 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 -0.61 0.46 -1.25 5.13 0.00 -2.00 0.93 119.26 121.93 2ror h ALA 36 Ca 0.02 0.17 0.36 0.00 0.00 0.00 0.00 54.91 55.46 2ror h ALA 36 Cb 0.05 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2ror h ALA 36 CO -0.12 -0.41 0.88 0.78 0.00 0.00 0.00 179.25 180.38 2ror h GLY 37 N 0.08 0.24 0.00 0.00 0.00 -0.89 -1.42 103.07 101.09 2ror h GLY 37 Ca 0.27 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 2ror h GLY 37 CO -0.48 -0.04 -0.46 0.00 0.00 0.00 0.00 176.54 175.56 2ror h ALA 38 N 1.41 0.09 -0.88 3.60 0.00 0.32 -3.36 119.26 120.43 2ror h ALA 38 Ca 0.62 -0.66 0.13 0.00 0.00 0.00 0.00 54.91 54.99 2ror h ALA 38 Cb 2.31 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 20.26 2ror h ALA 38 CO -0.07 0.28 -0.38 0.39 0.00 0.00 0.00 179.25 179.47 2ror n GLU 39 N -4.58 -0.24 -0.25 0.00 1.02 -0.57 0.95 120.64 116.97 2ror n GLU 39 Ca -0.15 1.36 0.06 0.00 -0.02 0.00 0.00 57.16 58.40 2ror n GLU 39 Cb 0.45 -2.01 0.18 0.00 -0.02 0.00 0.00 31.44 30.04 2ror n GLU 39 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ror h SER 40 N 0.00 -0.18 0.78 1.62 0.87 -1.65 1.95 113.55 116.94 2ror h SER 40 Ca 0.27 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.98 2ror h SER 40 Cb 0.50 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2ror h SER 40 CO -0.87 -0.13 -0.45 0.40 -0.53 0.00 0.00 176.83 175.26 2ror h ILE 41 N 0.17 0.09 0.00 2.23 2.04 0.43 -0.90 117.51 121.58 2ror h ILE 41 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2ror h ILE 41 Cb 0.75 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2ror h ILE 41 CO -0.60 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.73 2ror n LEU 42 N -5.60 0.00 -0.05 1.44 4.77 -0.73 -2.58 117.00 114.26 2ror n LEU 42 Ca -0.15 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2ror n LEU 42 Cb 0.47 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2ror n LEU 42 CO 0.36 -0.06 -0.11 0.00 -1.33 0.00 0.00 177.39 176.26 2ror h ALA 43 N 3.12 0.00 -0.48 -1.18 0.00 0.38 -3.40 119.26 117.70 2ror h ALA 43 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2ror h ALA 43 Cb 0.17 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2ror h ALA 43 CO 0.00 0.16 0.20 -0.91 0.00 0.00 0.00 179.25 178.70 2ror h ASN 44 N -0.85 0.66 -2.31 0.00 2.35 -1.25 -3.44 115.58 110.74 2ror h ASN 44 Ca 0.00 -0.16 -0.25 0.00 -0.55 0.00 0.00 56.30 55.34 2ror h ASN 44 Cb 0.16 -0.17 0.15 0.00 0.05 0.00 0.00 38.32 38.51 2ror h ASN 44 CO 0.00 0.64 -0.12 0.54 -1.65 0.00 0.00 177.43 176.84 2ror n ARG 45 N -4.58 -3.31 -2.18 0.81 3.00 -1.06 -4.90 116.66 104.43 2ror n ARG 45 Ca 0.01 -1.01 -0.40 0.00 -0.01 0.00 0.00 57.85 56.44 2ror n ARG 45 Cb 0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.11 2ror n ARG 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ror s SER 46 N -2.58 6.72 -0.34 0.55 0.15 -1.26 -4.89 113.70 112.05 2ror s SER 46 Ca 0.47 2.57 -0.29 0.00 0.70 0.00 0.00 55.95 59.40 2ror s SER 46 Cb -0.08 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 2ror s SER 46 CO 0.39 -0.56 2.29 0.47 1.20 0.00 0.00 173.24 177.03 2ror n ASP 47 N 0.61 2.75 0.00 5.45 8.00 -1.26 -2.15 116.55 129.95 2ror n ASP 47 Ca 0.01 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2ror n ASP 47 Cb 0.43 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 2ror n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ror n GLY 48 N 5.97 -0.20 3.63 0.44 0.00 -0.45 -4.95 105.19 109.64 2ror n GLY 48 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.76 2.31 0.27 2.61 2.01 -0.91 -1.90 115.64 119.26 2ror s THR 49 Ca 0.00 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.94 2ror s THR 49 Cb 0.00 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.19 2ror s THR 49 CO 0.00 -0.13 0.59 0.72 -0.69 0.00 0.00 174.62 175.11 2ror s PHE 50 N -2.71 0.15 0.13 4.92 -0.71 0.23 -1.84 117.98 118.16 2ror s PHE 50 Ca 0.66 -0.57 -0.25 0.00 -1.04 0.00 0.00 56.93 55.73 2ror s PHE 50 Cb -0.21 0.43 0.08 0.00 -1.21 0.00 0.00 43.02 42.10 2ror s PHE 50 CO 0.60 -1.13 1.08 -0.48 -1.34 0.00 0.00 175.22 173.94 2ror s LEU 51 N -2.99 -0.05 -0.28 -1.99 0.05 -1.01 -1.95 118.68 110.46 2ror s LEU 51 Ca 0.18 -0.49 0.02 0.00 0.05 0.00 0.00 54.13 53.89 2ror s LEU 51 Cb -0.03 1.92 0.08 0.00 -2.05 0.00 0.00 46.19 46.10 2ror s LEU 51 CO 0.09 -0.80 -0.02 -0.69 -0.55 0.00 0.00 176.35 174.38 2ror s VAL 52 N -2.45 1.85 0.14 1.48 1.01 -1.26 -2.73 120.40 118.44 2ror s VAL 52 Ca 0.19 -1.68 0.07 0.00 0.00 0.00 0.00 61.98 60.57 2ror s VAL 52 Cb -0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2ror s VAL 52 CO 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 175.10 174.79 2ror s ARG 53 N 1.20 2.29 0.29 2.72 1.70 0.02 -1.22 118.95 125.95 2ror s ARG 53 Ca -0.00 -1.07 0.03 0.00 -0.47 0.00 0.00 55.73 54.22 2ror s ARG 53 Cb -0.19 -2.34 -0.03 0.00 -0.57 0.00 0.00 34.95 31.82 2ror s ARG 53 CO -0.08 0.48 0.45 -1.14 -1.08 0.00 0.00 175.30 173.92 2ror s GLN 54 N -2.62 3.43 0.51 3.89 0.74 -1.21 0.26 119.66 124.65 2ror s GLN 54 Ca 0.25 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 55.07 2ror s GLN 54 Cb -0.10 -2.79 0.02 0.00 1.10 0.00 0.00 33.01 31.24 2ror s GLN 54 CO 0.17 0.28 0.73 1.03 -0.55 0.00 0.00 175.29 176.94 2ror s ARG 55 N -4.14 2.73 -0.01 1.67 0.52 -0.99 -4.73 118.95 113.99 2ror s ARG 55 Ca 0.37 -0.71 0.16 0.00 -0.52 0.00 0.00 55.73 55.03 2ror s ARG 55 Cb -0.09 -2.52 -0.22 0.00 0.52 0.00 0.00 34.95 32.64 2ror s ARG 55 CO 0.32 -0.54 0.46 1.33 0.02 0.00 0.00 175.30 176.88 2ror n VAL 56 N -2.23 0.00 -0.00 3.52 0.24 -1.26 -4.51 118.33 114.09 2ror n VAL 56 Ca 0.06 -0.28 -0.17 0.00 -2.04 0.00 0.00 64.34 61.91 2ror n VAL 56 Cb 0.59 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.31 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2ror h LYS 57 N 0.00 0.46 -3.77 7.34 1.57 -1.98 -3.43 116.57 116.75 2ror h LYS 57 Ca 0.00 -0.46 -0.49 0.00 -1.87 0.00 0.00 60.65 57.84 2ror h LYS 57 Cb 0.59 0.12 -0.38 0.00 0.08 0.00 0.00 32.23 32.63 2ror h LYS 57 CO 0.00 1.10 -0.77 -0.51 -0.57 0.00 0.00 179.45 178.70 2ror s ASP 58 N -6.76 2.22 0.12 0.86 1.01 -1.26 -5.05 116.67 107.81 2ror s ASP 58 Ca -0.13 -0.41 -0.29 0.00 0.71 0.00 0.00 52.55 52.42 2ror s ASP 58 Cb 0.04 -0.59 -0.10 0.00 1.01 0.00 0.00 42.92 43.28 2ror s ASP 58 CO 0.83 -0.22 1.49 0.00 0.21 0.00 0.00 175.17 177.48 2ror h ALA 59 N 8.26 -0.71 -0.28 5.23 0.00 -1.85 -3.04 119.26 126.86 2ror h ALA 59 Ca -0.20 0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.15 2ror h ALA 59 Cb 1.12 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 2ror h ALA 59 CO 0.32 -0.97 2.04 0.00 0.00 0.00 0.00 179.25 180.64 2ror n ALA 60 N -3.06 3.23 -3.54 0.00 0.00 -1.26 -4.74 120.51 111.13 2ror n ALA 60 Ca -0.03 -3.39 -0.01 0.00 0.00 0.00 0.00 53.44 50.01 2ror n ALA 60 Cb 0.30 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.13 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 5.06 0.41 0.45 0.00 2.56 -1.15 -4.56 118.70 121.47 2ror s GLU 61 Ca 0.59 0.88 0.07 0.00 0.00 0.00 0.00 54.97 56.51 2ror s GLU 61 Cb 0.08 0.37 -0.02 0.00 2.00 0.00 0.00 34.13 36.56 2ror s GLU 61 CO 0.09 -0.12 0.30 -0.06 -0.56 0.00 0.00 175.26 174.91 2ror s PHE 62 N 2.09 2.37 -0.12 5.30 0.08 -1.26 -2.35 117.98 124.09 2ror s PHE 62 Ca -0.06 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 2ror s PHE 62 Cb -0.06 -2.01 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 2ror s PHE 62 CO -0.17 -0.09 0.57 0.00 -0.10 0.00 0.00 175.22 175.42 2ror s ALA 63 N -2.61 -1.43 -0.21 5.36 0.00 0.14 -0.70 121.76 122.32 2ror s ALA 63 Ca 0.41 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 2ror s ALA 63 Cb -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2ror s ALA 63 CO 0.24 -0.31 -0.02 0.42 0.00 0.00 0.00 175.76 176.09 2ror s ILE 64 N -0.54 3.74 -0.21 0.00 1.01 -0.26 -0.80 121.20 124.13 2ror s ILE 64 Ca -0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 2ror s ILE 64 Cb -0.03 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2ror s ILE 64 CO 0.05 0.43 -0.14 -0.55 0.00 0.00 0.00 174.94 174.73 2ror s SER 65 N 1.15 3.69 -0.02 3.58 0.15 -1.10 0.65 113.70 121.80 2ror s SER 65 Ca 0.02 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.98 2ror s SER 65 Cb -0.14 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2ror s SER 65 CO 0.01 -0.05 -0.14 -0.51 1.20 0.00 0.00 173.24 173.74 2ror s ILE 66 N 1.30 1.16 0.10 6.45 -1.16 -1.00 -2.42 121.20 125.64 2ror s ILE 66 Ca 0.03 -0.60 -0.24 0.00 -0.51 0.00 0.00 60.65 59.33 2ror s ILE 66 Cb -0.15 -0.99 -0.07 0.00 0.61 0.00 0.00 42.46 41.87 2ror s ILE 66 CO -0.09 0.34 0.72 -0.75 -2.81 0.00 0.00 174.94 172.35 2ror s LYS 67 N -0.13 4.46 -0.29 3.50 2.47 -0.76 -1.68 119.74 127.30 2ror s LYS 67 Ca 0.01 1.02 -0.24 0.00 -1.56 0.00 0.00 55.97 55.21 2ror s LYS 67 Cb -0.08 -3.29 0.17 0.00 -1.46 0.00 0.00 37.83 33.17 2ror s LYS 67 CO 0.00 0.48 1.30 -0.47 0.16 0.00 0.00 175.35 176.83 2ror s TYR 68 N -0.73 -0.19 -0.83 4.03 5.04 -0.40 -1.34 117.35 122.92 2ror s TYR 68 Ca 0.35 0.45 -0.00 0.00 -2.44 0.00 0.00 57.07 55.43 2ror s TYR 68 Cb -0.21 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.51 2ror s TYR 68 CO 0.23 -0.09 0.70 -1.71 -1.34 0.00 0.00 175.55 173.34 2ror n ASN 69 N 1.94 -2.18 -2.03 4.32 4.05 -1.26 -2.53 115.26 117.58 2ror n ASN 69 Ca -0.12 -0.43 -0.08 0.00 0.45 0.00 0.00 54.58 54.41 2ror n ASN 69 Cb 0.57 -3.69 -0.01 0.00 1.23 0.00 0.00 39.78 37.87 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 -3.21 -0.24 -3.72 3.44 0.24 -1.26 -4.88 118.33 108.69 2ror n VAL 70 Ca -0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 2ror n VAL 70 Cb 0.61 -0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 31.89 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 -4.19 0.43 -0.28 7.34 0.41 -1.05 -5.14 118.70 116.22 2ror s GLU 71 Ca 0.00 0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 55.03 2ror s GLU 71 Cb 0.00 0.11 -0.02 0.00 -1.78 0.00 0.00 34.13 32.44 2ror s GLU 71 CO 0.00 -0.10 0.54 0.08 -0.49 0.00 0.00 175.26 175.29 2ror s VAL 72 N 0.74 5.04 0.49 2.63 1.01 -1.26 -1.28 120.40 127.77 2ror s VAL 72 Ca -0.04 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.82 2ror s VAL 72 Cb -0.05 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ror s VAL 72 CO -0.05 0.01 0.67 -0.54 0.00 0.00 0.00 175.10 175.19 2ror s LYS 73 N 2.38 2.61 -0.06 2.72 -0.14 -0.68 -4.97 119.74 121.60 2ror s LYS 73 Ca 0.22 -1.24 -0.16 0.00 -1.36 0.00 0.00 55.97 53.43 2ror s LYS 73 Cb -0.15 -2.67 0.03 0.00 -1.68 0.00 0.00 37.83 33.36 2ror s LYS 73 CO 0.10 -0.53 0.37 -1.01 -0.76 0.00 0.00 175.35 173.52 2ror s HIS 74 N -2.53 -0.31 -0.11 3.18 3.76 -1.26 -2.37 115.29 115.65 2ror s HIS 74 Ca 0.57 0.62 0.03 0.00 -0.15 0.00 0.00 55.06 56.13 2ror s HIS 74 Cb -0.09 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.75 2ror s HIS 74 CO 0.36 -0.34 -0.20 0.42 -0.85 0.00 0.00 174.74 174.12 2ror s ILE 75 N -0.77 1.83 -0.26 0.60 1.01 0.21 -4.94 121.20 118.88 2ror s ILE 75 Ca -0.09 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 2ror s ILE 75 Cb -0.04 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2ror s ILE 75 CO 0.03 0.51 0.77 -0.75 0.00 0.00 0.00 174.94 175.50 2ror s LYS 76 N 0.69 4.13 0.14 2.79 2.36 -1.26 -1.11 119.74 127.48 2ror s LYS 76 Ca -0.12 0.78 -0.09 0.00 -2.55 0.00 0.00 55.97 54.00 2ror s LYS 76 Cb -0.16 -3.66 -0.06 0.00 -1.05 0.00 0.00 37.83 32.90 2ror s LYS 76 CO 0.02 -0.51 0.44 0.42 1.55 0.00 0.00 175.35 177.27 2ror s ILE 77 N 2.77 5.06 0.11 5.43 1.01 0.13 -4.87 121.20 130.83 2ror s ILE 77 Ca 0.32 0.36 0.09 0.00 0.00 0.00 0.00 60.65 61.42 2ror s ILE 77 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2ror s ILE 77 CO 0.08 0.12 -0.19 -0.04 0.00 0.00 0.00 174.94 174.91 2ror s MET 78 N -2.35 1.76 -0.09 2.79 -1.94 -1.24 -4.16 119.30 114.06 2ror s MET 78 Ca 0.39 -1.18 -0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2ror s MET 78 Cb -0.13 -2.09 0.05 0.00 2.01 0.00 0.00 34.83 34.67 2ror s MET 78 CO 0.21 0.48 0.20 0.95 -0.01 0.00 0.00 175.02 176.85 2ror s THR 79 N -1.10 -0.15 0.00 2.05 -4.23 -1.26 -3.69 115.64 107.26 2ror s THR 79 Ca 0.17 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2ror s THR 79 Cb -0.10 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.41 2ror s THR 79 CO 0.09 0.09 0.00 0.00 -0.54 0.00 0.00 174.62 174.26 2ror n ALA 80 N 4.62 2.69 -2.08 3.99 0.00 -1.25 -4.88 120.51 123.60 2ror n ALA 80 Ca -0.19 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 2ror n ALA 80 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.16 3.01 -2.10 0.00 1.02 -1.26 -4.81 120.64 114.34 2ror n GLU 81 Ca 0.00 -3.87 -0.08 0.00 -0.02 0.00 0.00 57.16 53.19 2ror n GLU 81 Cb 0.00 -2.26 -0.01 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 -0.55 0.09 3.34 0.62 0.00 -1.26 -5.03 105.19 102.41 2ror n GLY 82 Ca 0.49 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.35 2.25 -0.12 0.99 1.43 -1.26 -4.76 118.68 114.86 2ror s LEU 83 Ca 0.00 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2ror s LEU 83 Cb 0.00 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.06 2ror s LEU 83 CO 0.00 0.19 -0.21 -0.31 0.23 0.00 0.00 176.35 176.24 2ror s TYR 84 N -0.96 2.49 -0.13 0.29 1.51 -1.13 -3.96 117.35 115.46 2ror s TYR 84 Ca 0.11 -1.16 -0.29 0.00 -1.01 0.00 0.00 57.07 54.72 2ror s TYR 84 Cb -0.10 -1.70 0.08 0.00 -0.11 0.00 0.00 41.96 40.13 2ror s TYR 84 CO 0.04 -0.52 0.75 -0.98 -1.11 0.00 0.00 175.55 173.74 2ror s ARG 85 N 0.67 0.91 -0.01 -0.62 1.70 -1.24 -0.84 118.95 119.51 2ror s ARG 85 Ca -0.11 0.45 0.14 0.00 -0.47 0.00 0.00 55.73 55.74 2ror s ARG 85 Cb -0.16 0.43 -0.18 0.00 -0.57 0.00 0.00 34.95 34.47 2ror s ARG 85 CO 0.02 -0.24 0.53 0.44 -1.08 0.00 0.00 175.30 174.97 2ror n ILE 86 N 1.41 0.00 -4.09 4.99 -6.64 -1.26 -3.66 119.36 110.11 2ror n ILE 86 Ca -0.16 -0.21 -0.10 0.00 -1.77 0.00 0.00 62.75 60.50 2ror n ILE 86 Cb 0.57 0.76 -0.08 0.00 -1.44 0.00 0.00 39.64 39.44 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2ror s THR 87 N -2.55 0.03 -0.02 7.28 -4.23 -1.26 -5.05 115.64 109.85 2ror s THR 87 Ca 0.02 -1.72 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 2ror s THR 87 Cb 0.10 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.77 2ror s THR 87 CO 0.60 -0.16 1.48 1.05 -0.54 0.00 0.00 174.62 177.05 2ror h GLU 88 N 2.57 0.00 0.13 3.99 -0.00 -2.04 -3.33 114.58 115.90 2ror h GLU 88 Ca -0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.03 2ror h GLU 88 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 2ror h GLU 88 CO 0.49 0.57 -0.06 0.87 -0.00 0.00 0.00 179.01 180.88 2ror h LYS 89 N 0.00 -0.17 -6.06 1.06 1.57 -2.03 -3.45 116.57 107.49 2ror h LYS 89 Ca -0.01 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.19 2ror h LYS 89 Cb 1.35 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.65 2ror h LYS 89 CO 0.07 0.29 -0.22 0.21 -0.57 0.00 0.00 179.45 179.23 2ror s LYS 90 N -3.21 3.83 -0.13 3.15 2.47 -1.25 -5.09 119.74 119.51 2ror s LYS 90 Ca -0.13 0.29 -0.13 0.00 -1.56 0.00 0.00 55.97 54.45 2ror s LYS 90 Cb 0.00 -3.10 0.03 0.00 -1.46 0.00 0.00 37.83 33.31 2ror s LYS 90 CO 0.47 0.62 0.36 0.00 0.16 0.00 0.00 175.35 176.97 2ror s ALA 91 N -1.25 -0.89 0.40 3.13 0.00 -1.26 -4.06 121.76 117.82 2ror s ALA 91 Ca 0.29 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.28 2ror s ALA 91 Cb -0.15 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 2ror s ALA 91 CO 0.16 -0.18 0.03 -0.06 0.00 0.00 0.00 175.76 175.71 2ror s PHE 92 N 0.11 2.19 -0.06 0.00 0.40 -0.02 -5.02 117.98 115.57 2ror s PHE 92 Ca -0.01 -0.85 0.11 0.00 -0.60 0.00 0.00 56.93 55.58 2ror s PHE 92 Cb -0.03 -1.55 -0.17 0.00 0.51 0.00 0.00 43.02 41.78 2ror s PHE 92 CO 0.01 0.22 0.16 2.89 0.70 0.00 0.00 175.22 179.20 2ror n ARG 93 N -0.93 1.18 -3.85 0.44 0.00 -1.26 -2.85 116.66 109.39 2ror n ARG 93 Ca -0.07 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.85 57.60 2ror n ARG 93 Cb 0.67 -1.29 -0.14 0.00 -0.00 0.00 0.00 32.46 31.70 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ror s GLY 94 N -3.86 -0.03 0.33 2.89 0.00 -1.26 -4.53 107.32 100.86 2ror s GLY 94 Ca -0.05 0.12 0.09 0.00 0.00 0.00 0.00 44.72 44.88 2ror s GLY 94 CO 0.49 0.11 1.77 -2.00 0.00 0.00 0.00 173.10 173.47 2ror h LEU 95 N 6.11 0.69 0.28 0.66 5.85 -1.95 -2.00 115.31 124.96 2ror h LEU 95 Ca -0.25 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2ror h LEU 95 Cb 1.21 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2ror h LEU 95 CO 0.48 0.20 -0.48 0.74 -0.34 0.00 0.00 178.44 179.04 2ror h THR 96 N 0.65 0.00 -0.59 1.05 2.02 -2.00 -2.09 112.91 111.95 2ror h THR 96 Ca 0.60 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.89 2ror h THR 96 Cb 1.08 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 2ror h THR 96 CO -0.39 0.00 0.13 -0.33 0.37 0.00 0.00 175.52 175.30 2ror h GLU 97 N -0.81 0.25 -0.97 6.66 5.08 -1.78 0.26 114.58 123.28 2ror h GLU 97 Ca -0.03 -0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.53 2ror h GLU 97 Cb 0.76 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.83 2ror h GLU 97 CO -0.17 0.17 0.54 1.25 -1.00 0.00 0.00 179.01 179.80 2ror h LEU 98 N 0.26 0.61 0.00 1.33 6.46 -0.98 0.54 115.31 123.53 2ror h LEU 98 Ca 0.31 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 58.19 2ror h LEU 98 Cb 0.46 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2ror h LEU 98 CO -0.40 0.13 -0.05 0.58 -0.62 0.00 0.00 178.44 178.08 2ror h VAL 99 N 0.59 1.52 0.00 1.05 2.07 -0.39 -2.91 116.25 118.17 2ror h VAL 99 Ca 0.60 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2ror h VAL 99 Cb 1.07 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2ror h VAL 99 CO -0.46 0.51 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 2ror n GLU 100 N -4.63 0.04 -0.12 1.57 1.02 0.75 -2.31 120.64 116.96 2ror n GLU 100 Ca -0.10 0.30 -0.25 0.00 -0.02 0.00 0.00 57.16 57.10 2ror n GLU 100 Cb 0.42 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.35 0.52 -0.22 -0.32 7.35 0.18 -4.43 117.46 119.19 2ror n PHE 101 Ca 0.02 0.23 0.03 0.00 -0.76 0.00 0.00 57.45 56.96 2ror n PHE 101 Cb 0.03 -1.04 0.14 0.00 0.35 0.00 0.00 39.48 38.96 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 0.22 -0.24 -5.13 0.05 -1.25 0.26 116.97 109.88 2ror h TYR 102 Ca -0.51 0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.38 2ror h TYR 102 Cb 1.44 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.17 2ror h TYR 102 CO -0.00 -0.06 0.80 1.96 -1.05 0.00 0.00 178.16 179.81 2ror h GLN 103 N 0.26 0.00 0.00 4.88 4.20 -1.74 0.50 115.11 123.20 2ror h GLN 103 Ca 0.36 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.77 2ror h GLN 103 Cb 0.58 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 2ror h GLN 103 CO -0.46 0.00 -2.13 1.04 -0.67 0.00 0.00 178.83 176.61 2ror n GLN 104 N -2.87 0.96 -3.70 1.46 6.02 0.83 -4.80 117.38 115.28 2ror n GLN 104 Ca 0.05 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 2ror n GLN 104 Cb 0.89 -1.41 -0.12 0.00 1.02 0.00 0.00 30.24 30.62 2ror n GLN 104 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ror s ASN 105 N -5.46 5.39 0.33 1.08 2.20 0.17 -5.07 114.94 113.59 2ror s ASN 105 Ca -0.17 -0.83 -0.27 0.00 -0.94 0.00 0.00 52.86 50.65 2ror s ASN 105 Cb 0.06 -1.94 -0.13 0.00 -2.00 0.00 0.00 41.25 37.24 2ror s ASN 105 CO 0.57 -0.27 0.96 -0.24 -2.94 0.00 0.00 177.10 175.19 2ror n SER 106 N 4.91 1.07 0.21 3.54 2.88 -1.25 -4.49 113.62 120.48 2ror n SER 106 Ca -0.13 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 2ror n SER 106 Cb 0.47 -1.29 0.63 0.00 -0.75 0.00 0.00 64.21 63.27 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 1.75 0.00 -2.68 2.46 4.07 -1.78 -2.67 115.31 116.47 2ror h LEU 107 Ca -0.41 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.55 2ror h LEU 107 Cb 1.35 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 2ror h LEU 107 CO 0.59 0.00 -0.01 0.07 -1.08 0.00 0.00 178.44 178.01 2ror h LYS 108 N 0.00 0.00 -0.27 1.13 2.10 -1.11 0.17 116.57 118.59 2ror h LYS 108 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 2ror h LYS 108 Cb 0.38 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.68 2ror h LYS 108 CO 0.00 0.01 0.09 -0.44 -2.00 0.00 0.00 179.45 177.11 2ror h ASP 109 N 0.00 0.10 0.06 7.07 3.32 -1.74 -3.00 116.42 122.23 2ror h ASP 109 Ca -0.00 0.03 -0.38 0.00 0.02 0.00 0.00 57.03 56.70 2ror h ASP 109 Cb 0.05 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2ror h ASP 109 CO 0.00 0.09 -2.21 0.00 -1.72 0.00 0.00 179.24 175.41 2ror s PHE 111 N -2.53 3.56 0.64 0.00 0.08 0.55 -4.91 117.98 115.37 2ror s PHE 111 Ca -0.29 -2.83 0.21 0.00 0.12 0.00 0.00 56.93 54.14 2ror s PHE 111 Cb 0.08 -3.20 1.03 0.00 -0.57 0.00 0.00 43.02 40.36 2ror s PHE 111 CO 0.67 -0.80 1.55 1.57 -0.10 0.00 0.00 175.22 178.12 2ror h LYS 112 N 6.64 0.00 -0.07 0.44 -0.00 -1.75 0.18 116.57 122.02 2ror h LYS 112 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.70 2ror h LYS 112 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.13 2ror h LYS 112 CO 0.75 0.00 0.03 0.66 -0.00 0.00 0.00 179.45 180.89 2ror h SER 113 N 0.00 0.09 -3.46 7.07 4.64 -1.91 -3.41 113.55 116.58 2ror h SER 113 Ca 0.15 -0.16 -0.61 0.00 -0.47 0.00 0.00 61.79 60.70 2ror h SER 113 Cb 1.57 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.53 2ror h SER 113 CO -0.00 0.22 0.25 -0.76 -0.87 0.00 0.00 176.83 175.67 2ror s LEU 114 N -9.87 4.09 -0.45 5.97 1.43 0.64 -4.93 118.68 115.55 2ror s LEU 114 Ca -0.14 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2ror s LEU 114 Cb 0.06 -2.93 0.57 0.00 0.03 0.00 0.00 46.19 43.92 2ror s LEU 114 CO 0.68 -0.47 1.79 -0.67 0.23 0.00 0.00 176.35 177.91 2ror n ASP 115 N 5.90 4.36 -3.79 2.29 -0.08 -1.26 -0.86 116.55 123.10 2ror n ASP 115 Ca 0.01 -3.70 -0.10 0.00 -1.51 0.00 0.00 54.79 49.48 2ror n ASP 115 Cb 0.49 -0.79 -0.07 0.00 2.34 0.00 0.00 41.12 43.08 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2ror s THR 116 N -3.70 0.11 0.46 5.18 -1.32 -1.26 -4.90 115.64 110.21 2ror s THR 116 Ca 0.55 -0.88 0.04 0.00 -1.21 0.00 0.00 61.69 60.20 2ror s THR 116 Cb 0.47 -1.09 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 2ror s THR 116 CO 0.05 -0.49 0.01 0.28 -2.21 0.00 0.00 174.62 172.27 2ror s THR 117 N -3.12 1.62 -0.51 5.08 -1.32 -1.26 -3.26 115.64 112.86 2ror s THR 117 Ca -0.01 -1.99 -0.29 0.00 -1.21 0.00 0.00 61.69 58.19 2ror s THR 117 Cb 0.01 -2.61 -0.10 0.00 -1.51 0.00 0.00 72.50 68.29 2ror s THR 117 CO -0.07 0.00 2.39 0.18 -2.21 0.00 0.00 174.62 174.91 2ror n LEU 118 N -1.12 2.04 -0.06 9.08 4.32 -1.26 -4.80 117.00 125.20 2ror n LEU 118 Ca -0.11 -0.08 -0.19 0.00 -0.02 0.00 0.00 56.01 55.61 2ror n LEU 118 Cb 0.67 -1.39 -0.13 0.00 -1.62 0.00 0.00 43.42 40.95 2ror n LEU 118 CO 0.44 -1.11 -0.11 1.56 -1.22 0.00 0.00 177.39 176.95 2ror h GLN 119 N 15.97 0.06 -3.34 3.23 4.20 -1.69 -3.40 115.11 130.13 2ror h GLN 119 Ca -0.24 -0.10 -0.21 0.00 0.06 0.00 0.00 58.65 58.17 2ror h GLN 119 Cb 1.29 0.04 -0.29 0.00 0.30 0.00 0.00 27.48 28.82 2ror h GLN 119 CO 1.14 1.05 -0.57 -0.06 -0.67 0.00 0.00 178.83 179.72 2ror s PHE 120 N -2.33 -0.16 0.00 2.96 0.08 -1.18 -4.87 117.98 112.48 2ror s PHE 120 Ca -0.23 0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2ror s PHE 120 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2ror s PHE 120 CO 0.67 -0.11 0.00 -0.35 -0.10 0.00 0.00 175.22 175.33 2ror n PRO 121 N 3.47 0.26 0.08 0.24 -0.04 -1.26 0.76 135.00 138.51 2ror n PRO 121 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 2ror n PRO 121 Cb 0.56 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.42 0.00 0.54 3.57 -1.46 -3.37 116.94 115.77 2ror h PHE 122 Ca 0.00 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2ror h PHE 122 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ror h PHE 122 CO 0.00 1.30 -0.11 1.63 -2.23 0.00 0.00 178.31 178.90 2ror n LYS 123 N -3.46 0.10 -3.59 1.11 5.02 -0.40 -5.00 118.16 111.93 2ror n LYS 123 Ca -0.12 0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 2ror n LYS 123 Cb 1.03 -0.92 -0.06 0.00 -0.02 0.00 0.00 35.03 35.05 2ror n LYS 123 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ror s GLU 124 N -1.27 0.79 0.43 1.97 2.02 -1.23 -5.10 118.70 116.31 2ror s GLU 124 Ca -0.03 0.54 -0.24 0.00 0.02 0.00 0.00 54.97 55.26 2ror s GLU 124 Cb 0.00 0.38 -0.08 0.00 0.10 0.00 0.00 34.13 34.53 2ror s GLU 124 CO 0.05 -0.17 1.18 -1.25 0.02 0.00 0.00 175.26 175.08 2ror s PRO 125 N -0.38 3.90 0.13 0.39 0.04 -1.26 -4.50 135.00 133.32 2ror s PRO 125 Ca -0.03 1.84 0.11 0.00 0.04 0.00 0.00 61.00 62.96 2ror s PRO 125 Cb -0.03 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2ror s PRO 125 CO 0.02 -0.45 -0.26 -2.00 0.04 0.00 0.00 177.00 174.35 2ror s GLU 126 N -2.48 1.38 -0.08 4.56 2.56 -1.26 -5.02 118.70 118.36 2ror s GLU 126 Ca 0.60 -1.33 -0.08 0.00 0.00 0.00 0.00 54.97 54.16 2ror s GLU 126 Cb -0.30 -1.85 -0.04 0.00 2.00 0.00 0.00 34.13 33.93 2ror s GLU 126 CO 0.38 0.44 0.21 -1.59 -0.56 0.00 0.00 175.26 174.14 2ror s LYS 127 N -2.03 3.56 -0.41 4.30 -2.85 -1.26 -5.07 119.74 115.97 2ror s LYS 127 Ca 0.13 -0.01 -0.09 0.00 -1.00 0.00 0.00 55.97 55.00 2ror s LYS 127 Cb -0.10 -3.18 0.07 0.00 -2.06 0.00 0.00 37.83 32.56 2ror s LYS 127 CO 0.06 0.74 0.25 0.50 0.10 0.00 0.00 175.35 177.00 2ror s ARG 128 N -1.16 2.61 -0.00 1.78 3.00 -1.26 -4.86 118.95 119.06 2ror s ARG 128 Ca 0.19 -1.43 0.03 0.00 -1.00 0.00 0.00 55.73 53.52 2ror s ARG 128 Cb -0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 34.95 31.01 2ror s ARG 128 CO 0.08 -0.93 0.12 -2.37 0.00 0.00 0.00 175.30 172.20 2ror n THR 129 N 4.92 0.00 -4.50 4.11 5.66 -1.26 -5.01 114.28 118.20 2ror n THR 129 Ca -0.10 -0.29 -0.34 0.00 -3.05 0.00 0.00 64.05 60.27 2ror n THR 129 Cb 0.43 0.77 -0.11 0.00 -1.55 0.00 0.00 70.33 69.87 2ror n THR 129 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2ror s ILE 130 N -1.69 3.91 -0.29 1.09 1.10 -1.26 -5.10 121.20 118.96 2ror s ILE 130 Ca 0.00 -0.39 -0.02 0.00 -0.51 0.00 0.00 60.65 59.74 2ror s ILE 130 Cb 0.02 -2.64 0.05 0.00 0.15 0.00 0.00 42.46 40.04 2ror s ILE 130 CO 0.14 0.57 -0.01 -0.94 -2.11 0.00 0.00 174.94 172.60 2ror s SER 131 N -0.54 4.83 -0.11 4.50 1.04 -1.26 -5.07 113.70 117.08 2ror s SER 131 Ca 0.08 -1.25 -0.30 0.00 0.48 0.00 0.00 55.95 54.97 2ror s SER 131 Cb -0.12 -1.70 0.09 0.00 0.10 0.00 0.00 66.02 64.39 2ror s SER 131 CO 0.02 -0.25 0.78 -0.60 0.98 0.00 0.00 173.24 174.18 2ror s ARG 132 N 1.25 0.89 -0.06 4.02 6.06 -1.26 -5.16 118.95 124.69 2ror s ARG 132 Ca -0.05 0.33 -0.02 0.00 -2.50 0.00 0.00 55.73 53.48 2ror s ARG 132 Cb -0.20 0.42 0.04 0.00 0.06 0.00 0.00 34.95 35.27 2ror s ARG 132 CO -0.01 -0.25 0.11 0.45 -2.50 0.00 0.00 175.30 173.09 2ror s SER 133 N -0.93 0.53 -0.60 -2.12 0.15 -1.26 -5.08 113.70 104.39 2ror s SER 133 Ca -0.07 0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.86 2ror s SER 133 Cb -0.01 0.10 0.24 0.00 -1.71 0.00 0.00 66.02 64.64 2ror s SER 133 CO 0.06 -0.21 0.69 0.61 1.20 0.00 0.00 173.24 175.60 2ror n GLY 134 N 4.87 4.42 3.72 9.45 0.00 -1.26 -5.10 105.19 121.30 2ror n GLY 134 Ca -0.13 -2.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.04 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 -2.18 1.25 0.25 1.61 0.04 -1.26 -5.08 135.00 129.64 2ror s PRO 135 Ca 0.38 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 2ror s PRO 135 Cb 0.14 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.90 2ror s PRO 135 CO -0.04 -2.25 0.67 -1.54 0.04 0.00 0.00 177.00 173.88 2ror s SER 136 N -3.42 -0.30 0.28 6.66 1.04 -1.26 -5.18 113.70 111.52 2ror s SER 136 Ca 0.63 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.60 2ror s SER 136 Cb -0.18 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2ror s SER 136 CO 0.57 -1.25 0.39 -0.55 0.98 0.00 0.00 173.24 173.38 2ror s SER 137 N -2.90 6.11 0.00 7.02 0.15 -1.26 -5.16 113.70 117.66 2ror s SER 137 Ca 0.10 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2ror s SER 137 Cb -0.04 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2ror s SER 137 CO 0.03 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.87