#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 -4.61 -3.55 1.61 2.88 -1.26 -4.98 113.62 103.71 2ror n SER 2 Ca 0.00 -0.67 -0.17 0.00 -1.33 0.00 0.00 58.87 56.70 2ror n SER 2 Cb 0.00 -4.53 -0.06 0.00 -0.75 0.00 0.00 64.21 58.87 2ror n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ror s SER 3 N -3.59 -0.65 0.00 -3.46 0.01 -1.26 -5.15 113.70 99.60 2ror s SER 3 Ca 0.46 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2ror s SER 3 Cb -0.22 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2ror s SER 3 CO 0.78 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2ror n GLY 4 N 1.26 -0.31 3.36 3.44 0.00 -1.26 -5.16 105.19 106.52 2ror n GLY 4 Ca -0.18 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 2ror n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ror n SER 5 N 0.00 -2.86 -3.44 1.61 7.64 -1.26 -5.05 113.62 110.26 2ror n SER 5 Ca 0.00 -0.49 -0.09 0.00 1.01 0.00 0.00 58.87 59.30 2ror n SER 5 Cb 0.00 -1.15 -0.09 0.00 -1.01 0.00 0.00 64.21 61.97 2ror n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ror s SER 6 N -2.66 0.17 0.27 6.43 1.04 -1.26 -5.15 113.70 112.54 2ror s SER 6 Ca 0.68 0.40 -0.10 0.00 0.48 0.00 0.00 55.95 57.41 2ror s SER 6 Cb -0.20 1.13 0.04 0.00 0.10 0.00 0.00 66.02 67.08 2ror s SER 6 CO 0.62 -0.28 0.54 0.61 0.98 0.00 0.00 173.24 175.71 2ror n GLY 7 N 5.37 1.30 3.23 7.32 0.00 -1.26 -5.18 105.19 115.97 2ror n GLY 7 Ca -0.05 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.06 1.20 0.33 1.61 1.02 -1.26 -5.15 119.74 115.43 2ror s LYS 8 Ca 0.11 -0.96 0.05 0.00 0.02 0.00 0.00 55.97 55.19 2ror s LYS 8 Cb -0.03 -1.33 -0.07 0.00 -0.52 0.00 0.00 37.83 35.88 2ror s LYS 8 CO 0.08 0.33 0.03 0.00 -0.92 0.00 0.00 175.35 174.87 2ror s ALA 9 N -0.92 2.50 -0.48 5.17 0.00 -1.26 -5.04 121.76 121.73 2ror s ALA 9 Ca 0.06 -2.08 -0.02 0.00 0.00 0.00 0.00 51.96 49.92 2ror s ALA 9 Cb -0.09 0.50 0.27 0.00 0.00 0.00 0.00 23.12 23.81 2ror s ALA 9 CO 0.02 -0.24 2.13 0.39 0.00 0.00 0.00 175.76 178.06 2ror n GLU 10 N -0.72 2.22 -3.85 0.00 1.02 -1.26 -4.81 120.64 113.24 2ror n GLU 10 Ca -0.03 -2.34 -0.28 0.00 -0.02 0.00 0.00 57.16 54.49 2ror n GLU 10 Cb 0.66 -1.94 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2ror n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ror n ALA 11 N -0.03 -1.47 -3.60 0.62 0.00 -1.26 -4.95 120.51 109.83 2ror n ALA 11 Ca 0.44 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.62 2ror n ALA 11 Cb 0.58 -3.91 -0.11 0.00 0.00 0.00 0.00 19.45 16.01 2ror n ALA 11 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 12 N -6.46 2.28 -0.41 0.00 2.02 -1.26 -4.95 118.70 109.92 2ror s GLU 12 Ca 0.50 -1.63 0.11 0.00 0.02 0.00 0.00 54.97 53.97 2ror s GLU 12 Cb -0.25 -3.61 0.40 0.00 0.10 0.00 0.00 34.13 30.78 2ror s GLU 12 CO 0.82 -0.98 0.93 1.04 0.02 0.00 0.00 175.26 177.09 2ror n GLN 13 N 4.72 2.00 -0.15 1.61 3.00 -1.26 -4.86 117.38 122.44 2ror n GLN 13 Ca -0.07 -3.87 0.03 0.00 -0.01 0.00 0.00 57.00 53.09 2ror n GLN 13 Cb 0.42 -1.78 0.10 0.00 0.00 0.00 0.00 30.24 28.98 2ror n GLN 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2ror n ASN 14 N -0.10 1.49 -1.65 1.08 6.94 -1.26 -4.36 115.26 117.40 2ror n ASN 14 Ca 0.24 -2.07 -0.04 0.00 -0.02 0.00 0.00 54.58 52.69 2ror n ASN 14 Cb 0.66 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.78 2ror n ASN 14 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 2ror n TRP 15 N 0.14 0.02 -2.83 -2.53 7.02 -1.26 -4.81 117.44 113.19 2ror n TRP 15 Ca 0.07 -1.16 -0.43 0.00 -1.02 0.00 0.00 57.50 54.97 2ror n TRP 15 Cb 0.28 -0.83 -0.03 0.00 -2.42 0.00 0.00 31.31 28.31 2ror n TRP 15 CO 0.00 0.00 0.00 1.67 -2.02 0.00 0.00 177.69 177.34 2ror s TRP 16 N 0.27 2.79 -0.68 -5.99 -2.14 -1.26 -4.95 118.94 106.97 2ror s TRP 16 Ca 0.20 -0.83 0.00 0.00 2.66 0.00 0.00 56.10 58.13 2ror s TRP 16 Cb 0.10 -4.35 0.17 0.00 -3.10 0.00 0.00 33.47 26.29 2ror s TRP 16 CO -0.00 -1.65 0.49 -1.21 -2.66 0.00 0.00 176.95 171.92 2ror s GLU 17 N 3.79 2.58 -0.80 3.25 2.02 -1.26 -4.87 118.70 123.40 2ror s GLU 17 Ca 0.29 -2.89 -0.02 0.00 0.02 0.00 0.00 54.97 52.36 2ror s GLU 17 Cb -0.11 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2ror s GLU 17 CO 0.02 -1.20 0.61 0.41 0.02 0.00 0.00 175.26 175.12 2ror n GLY 18 N 2.83 -1.23 3.71 -1.39 0.00 -1.26 -4.84 105.19 103.01 2ror n GLY 18 Ca 0.13 0.63 -0.42 0.00 0.00 0.00 0.00 46.02 46.36 2ror n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 19 N -4.67 4.34 0.32 1.61 0.04 -1.26 -5.03 135.00 130.34 2ror s PRO 19 Ca 0.02 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 2ror s PRO 19 Cb -0.00 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.35 2ror s PRO 19 CO 0.89 -0.41 0.28 -0.35 0.04 0.00 0.00 177.00 177.45 2ror n PRO 20 N 3.97 -1.57 -1.29 0.56 -0.04 -1.26 -4.74 135.00 130.63 2ror n PRO 20 Ca 0.11 -0.45 -0.44 0.00 -0.04 0.00 0.00 63.50 62.67 2ror n PRO 20 Cb 0.43 -0.42 -0.13 0.00 -0.04 0.00 0.00 33.50 33.34 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 -2.38 0.00 -4.28 0.54 7.27 -1.26 -4.87 117.38 112.41 2ror n GLN 21 Ca 0.04 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.96 2ror n GLN 21 Cb 0.15 -1.38 -0.10 0.00 2.41 0.00 0.00 30.24 31.32 2ror n GLN 21 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2ror s ASP 22 N 7.23 1.68 0.66 1.69 2.15 -1.26 -5.01 116.67 123.80 2ror s ASP 22 Ca 1.20 -1.12 0.30 0.00 0.43 0.00 0.00 52.55 53.35 2ror s ASP 22 Cb -1.24 0.02 1.61 0.00 -0.30 0.00 0.00 42.92 43.01 2ror s ASP 22 CO 0.51 -0.45 1.92 -0.07 -0.17 0.00 0.00 175.17 176.91 2ror h LEU 23 N 2.66 0.00 -1.44 -1.34 3.38 -1.96 -0.69 115.31 115.91 2ror h LEU 23 Ca -0.37 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.78 2ror h LEU 23 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 2ror h LEU 23 CO 0.64 0.00 0.58 0.77 0.09 0.00 0.00 178.44 180.51 2ror h SER 24 N 0.00 0.48 -0.76 -0.43 4.64 -1.94 0.99 113.55 116.52 2ror h SER 24 Ca 0.03 0.04 0.22 0.00 -0.47 0.00 0.00 61.79 61.61 2ror h SER 24 Cb 0.72 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 2ror h SER 24 CO -0.00 0.21 0.67 -0.37 -0.87 0.00 0.00 176.83 176.47 2ror h VAL 25 N 0.49 0.38 -4.01 0.95 -1.51 -1.50 -3.41 116.25 107.65 2ror h VAL 25 Ca 0.45 0.00 -0.47 0.00 -1.23 0.00 0.00 66.70 65.45 2ror h VAL 25 Cb 0.99 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2ror h VAL 25 CO -0.18 0.00 0.28 -1.00 -1.23 0.00 0.00 177.57 175.44 2ror s HIS 26 N -4.75 3.42 -1.63 5.19 4.02 0.34 -4.93 115.29 116.95 2ror s HIS 26 Ca -0.04 1.38 0.11 0.00 1.02 0.00 0.00 55.06 57.52 2ror s HIS 26 Cb 0.18 -2.70 0.58 0.00 -1.02 0.00 0.00 32.58 29.62 2ror s HIS 26 CO 0.65 -0.21 1.18 1.28 1.02 0.00 0.00 174.74 178.66 2ror n LEU 27 N -1.20 0.00 -3.80 0.89 4.77 -1.26 -4.50 117.00 111.90 2ror n LEU 27 Ca 0.05 0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 56.04 2ror n LEU 27 Cb 0.54 -0.18 -0.17 0.00 -2.33 0.00 0.00 43.42 41.28 2ror n LEU 27 CO 0.44 -0.12 -0.37 -1.66 -1.33 0.00 0.00 177.39 174.35 2ror s TRP 28 N -2.37 0.37 -0.06 -1.77 1.48 -1.26 -1.59 118.94 113.73 2ror s TRP 28 Ca 0.12 -0.01 -0.14 0.00 -1.06 0.00 0.00 56.10 55.01 2ror s TRP 28 Cb 0.07 -0.49 0.03 0.00 -1.16 0.00 0.00 33.47 31.93 2ror s TRP 28 CO 0.15 -0.17 0.33 -0.47 -4.06 0.00 0.00 176.95 172.73 2ror s TYR 29 N 1.24 -0.27 -0.26 1.66 5.04 -1.26 -4.67 117.35 118.83 2ror s TYR 29 Ca -0.07 0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 55.09 2ror s TYR 29 Cb -0.13 0.11 0.15 0.00 0.35 0.00 0.00 41.96 42.44 2ror s TYR 29 CO -0.02 -0.30 0.45 0.00 -1.34 0.00 0.00 175.55 174.33 2ror s ALA 30 N -0.69 -1.45 1.00 3.97 0.00 -0.40 -4.67 121.76 119.52 2ror s ALA 30 Ca -0.08 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2ror s ALA 30 Cb -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2ror s ALA 30 CO 0.03 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2ror n GLY 31 N 5.39 -2.01 0.00 0.00 0.00 -1.26 -3.33 105.19 103.97 2ror n GLY 31 Ca -0.03 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 0.48 -0.93 1.61 -0.04 -1.26 -2.96 135.00 131.90 2ror n PRO 32 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2ror n PRO 32 Cb 0.00 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.78 0.00 -1.84 0.54 1.56 -1.26 -4.85 117.12 110.48 2ror n MET 33 Ca 0.07 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.16 2ror n MET 33 Cb 0.03 -0.85 0.04 0.00 2.15 0.00 0.00 33.22 34.59 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 -0.21 2.90 0.06 2.12 -1.05 -1.26 -4.81 118.70 116.45 2ror s GLU 34 Ca 0.52 1.42 -0.12 0.00 -0.15 0.00 0.00 54.97 56.65 2ror s GLU 34 Cb -0.74 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 30.97 2ror s GLU 34 CO 0.36 -1.18 0.96 -2.13 0.95 0.00 0.00 175.26 174.22 2ror n ARG 35 N -2.23 -0.17 -0.27 -4.83 0.00 -1.26 0.10 116.66 108.01 2ror n ARG 35 Ca 0.11 0.94 0.08 0.00 -0.00 0.00 0.00 57.85 58.98 2ror n ARG 35 Cb 0.52 -1.40 0.21 0.00 0.00 0.00 0.00 32.46 31.79 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 -0.17 1.02 -1.13 5.13 0.00 -2.00 0.22 119.26 122.32 2ror h ALA 36 Ca 0.06 0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.48 2ror h ALA 36 Cb 0.16 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 2ror h ALA 36 CO -0.36 -0.39 0.76 0.78 0.00 0.00 0.00 179.25 180.04 2ror h GLY 37 N 0.23 0.90 0.04 0.00 0.00 0.36 -1.28 103.07 103.31 2ror h GLY 37 Ca 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 2ror h GLY 37 CO -0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 176.54 175.82 2ror h ALA 38 N 1.55 -0.01 -0.92 3.60 0.00 -0.23 -3.32 119.26 119.93 2ror h ALA 38 Ca 0.63 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 55.25 2ror h ALA 38 Cb 1.90 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.54 2ror h ALA 38 CO -0.24 -0.02 -0.36 0.39 0.00 0.00 0.00 179.25 179.02 2ror n GLU 39 N -4.65 -0.22 -0.14 0.00 1.02 -0.51 0.41 120.64 116.55 2ror n GLU 39 Ca -0.09 1.42 -0.04 0.00 -0.02 0.00 0.00 57.16 58.43 2ror n GLU 39 Cb 0.41 -2.11 0.02 0.00 -0.02 0.00 0.00 31.44 29.74 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 -0.44 0.43 1.62 0.87 -1.62 1.84 113.55 116.25 2ror h SER 40 Ca 0.32 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 2ror h SER 40 Cb 0.55 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2ror h SER 40 CO -0.92 -0.16 -0.49 0.40 -0.53 0.00 0.00 176.83 175.13 2ror h ILE 41 N -0.01 0.04 0.00 2.23 2.04 -0.14 0.15 117.51 121.81 2ror h ILE 41 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2ror h ILE 41 Cb 0.34 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2ror h ILE 41 CO -0.46 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.87 2ror n LEU 42 N -5.55 0.67 0.03 1.44 4.77 -0.59 -2.32 117.00 115.46 2ror n LEU 42 Ca -0.11 0.66 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 2ror n LEU 42 Cb 0.45 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2ror n LEU 42 CO 0.25 -0.53 0.08 0.00 -1.33 0.00 0.00 177.39 175.87 2ror h ALA 43 N 2.29 -0.20 -0.80 -1.18 0.00 0.40 -3.36 119.26 116.41 2ror h ALA 43 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2ror h ALA 43 Cb 0.39 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2ror h ALA 43 CO 0.00 -0.19 0.51 -0.91 0.00 0.00 0.00 179.25 178.66 2ror h ASN 44 N -0.79 0.83 -1.80 0.00 2.35 -0.80 -3.43 115.58 111.94 2ror h ASN 44 Ca -0.02 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 2ror h ASN 44 Cb 0.12 -0.18 0.09 0.00 0.05 0.00 0.00 38.32 38.40 2ror h ASN 44 CO 0.03 0.56 -0.07 0.54 -1.65 0.00 0.00 177.43 176.84 2ror n ARG 45 N -4.61 -3.17 -2.70 0.81 3.00 -0.98 -4.96 116.66 104.05 2ror n ARG 45 Ca 0.10 -0.60 -0.35 0.00 -0.01 0.00 0.00 57.85 56.99 2ror n ARG 45 Cb 0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.74 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 -2.45 6.91 -0.39 0.55 0.01 -1.26 -4.93 113.70 112.14 2ror s SER 46 Ca 0.27 1.86 -0.27 0.00 1.31 0.00 0.00 55.95 59.12 2ror s SER 46 Cb -0.05 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2ror s SER 46 CO 0.23 -0.38 2.34 0.47 0.41 0.00 0.00 173.24 176.31 2ror n ASP 47 N -0.22 2.64 0.00 2.44 8.00 -1.26 -2.21 116.55 125.95 2ror n ASP 47 Ca 0.05 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2ror n ASP 47 Cb 0.52 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 5.95 -0.51 3.74 0.44 0.00 -0.07 -4.97 105.19 109.77 2ror n GLY 48 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.23 2.84 0.31 2.61 2.01 -0.94 -1.68 115.64 120.55 2ror s THR 49 Ca 0.00 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 2ror s THR 49 Cb 0.00 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.73 2ror s THR 49 CO 0.00 -0.29 0.48 0.72 -0.69 0.00 0.00 174.62 174.85 2ror s PHE 50 N -2.45 0.76 0.13 4.92 -0.71 0.25 -1.12 117.98 119.76 2ror s PHE 50 Ca 0.67 -1.07 -0.24 0.00 -1.04 0.00 0.00 56.93 55.25 2ror s PHE 50 Cb -0.22 0.06 0.08 0.00 -1.21 0.00 0.00 43.02 41.73 2ror s PHE 50 CO 0.49 -1.10 1.09 -0.48 -1.34 0.00 0.00 175.22 173.88 2ror s LEU 51 N -3.15 -0.02 -0.29 -1.99 0.05 -0.88 -1.68 118.68 110.73 2ror s LEU 51 Ca 0.27 -0.52 0.02 0.00 0.05 0.00 0.00 54.13 53.95 2ror s LEU 51 Cb -0.00 1.90 0.08 0.00 -2.05 0.00 0.00 46.19 46.12 2ror s LEU 51 CO 0.15 -0.81 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.45 2ror s VAL 52 N -2.27 1.86 0.47 1.48 1.01 -1.26 -2.49 120.40 119.20 2ror s VAL 52 Ca 0.22 -1.74 0.05 0.00 0.00 0.00 0.00 61.98 60.51 2ror s VAL 52 Cb -0.02 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2ror s VAL 52 CO 0.03 -0.33 0.65 -0.13 0.00 0.00 0.00 175.10 175.32 2ror s ARG 53 N 1.18 2.76 0.15 2.72 0.52 0.15 -1.28 118.95 125.15 2ror s ARG 53 Ca 0.01 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.31 2ror s ARG 53 Cb -0.19 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2ror s ARG 53 CO -0.09 -0.42 -0.16 -1.14 0.02 0.00 0.00 175.30 173.51 2ror s GLN 54 N -4.51 1.17 0.28 3.54 0.74 -1.16 0.20 119.66 119.93 2ror s GLN 54 Ca 0.55 -1.35 -0.03 0.00 0.05 0.00 0.00 55.36 54.59 2ror s GLN 54 Cb -0.10 -1.15 -0.04 0.00 1.10 0.00 0.00 33.01 32.82 2ror s GLN 54 CO 0.35 0.23 0.52 1.03 -0.55 0.00 0.00 175.29 176.86 2ror s ARG 55 N -2.78 3.57 -0.21 1.67 0.52 -1.23 -4.53 118.95 115.96 2ror s ARG 55 Ca 0.13 -0.16 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 2ror s ARG 55 Cb -0.05 -2.69 -0.18 0.00 0.52 0.00 0.00 34.95 32.54 2ror s ARG 55 CO 0.05 0.24 -0.09 0.28 0.02 0.00 0.00 175.30 175.80 2ror n VAL 56 N -1.10 1.30 -0.27 3.52 0.31 -1.26 -4.46 118.33 116.37 2ror n VAL 56 Ca -0.03 -0.63 0.07 0.00 -0.01 0.00 0.00 64.34 63.74 2ror n VAL 56 Cb 0.54 -0.97 0.19 0.00 -0.91 0.00 0.00 33.84 32.70 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ror h LYS 57 N 0.00 0.12 -2.43 5.55 1.57 -2.03 -3.39 116.57 115.96 2ror h LYS 57 Ca -0.51 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.18 2ror h LYS 57 Cb 1.95 -0.03 -0.27 0.00 0.08 0.00 0.00 32.23 33.96 2ror h LYS 57 CO -0.03 0.08 -0.36 -0.51 -0.57 0.00 0.00 179.45 178.06 2ror s ASP 58 N -5.16 -0.31 0.90 0.86 1.01 -1.26 -5.16 116.67 107.55 2ror s ASP 58 Ca -0.13 1.00 -0.08 0.00 0.71 0.00 0.00 52.55 54.05 2ror s ASP 58 Cb 0.24 1.42 0.12 0.00 1.01 0.00 0.00 42.92 45.71 2ror s ASP 58 CO 0.76 -0.23 0.28 0.00 0.21 0.00 0.00 175.17 176.19 2ror n ALA 59 N 5.39 -1.71 -3.47 5.23 0.00 -1.26 -4.27 120.51 120.42 2ror n ALA 59 Ca -0.08 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 2ror n ALA 59 Cb 0.49 -0.04 0.09 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.39 -1.82 -3.50 0.00 0.00 -1.26 -5.01 120.51 105.52 2ror n ALA 60 Ca -0.06 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2ror n ALA 60 Cb 0.19 -3.25 -0.08 0.00 0.00 0.00 0.00 19.45 16.31 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 -5.61 0.75 0.35 0.00 2.56 -1.26 -4.48 118.70 111.00 2ror s GLU 61 Ca 0.16 0.73 0.03 0.00 0.00 0.00 0.00 54.97 55.89 2ror s GLU 61 Cb -0.07 0.36 -0.05 0.00 2.00 0.00 0.00 34.13 36.38 2ror s GLU 61 CO 0.73 -0.12 0.09 -0.06 -0.56 0.00 0.00 175.26 175.34 2ror s PHE 62 N 0.06 1.83 -0.16 5.30 0.08 -1.22 -3.48 117.98 120.38 2ror s PHE 62 Ca -0.02 -1.12 -0.18 0.00 0.12 0.00 0.00 56.93 55.73 2ror s PHE 62 Cb -0.04 -1.18 0.05 0.00 -0.57 0.00 0.00 43.02 41.28 2ror s PHE 62 CO 0.02 -0.16 0.50 0.00 -0.10 0.00 0.00 175.22 175.48 2ror s ALA 63 N -3.33 -1.24 -0.37 5.36 0.00 0.13 0.07 121.76 122.38 2ror s ALA 63 Ca 0.32 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.51 2ror s ALA 63 Cb 0.06 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.54 2ror s ALA 63 CO 0.15 -0.25 0.18 0.42 0.00 0.00 0.00 175.76 176.26 2ror s ILE 64 N 0.02 4.14 -0.27 0.00 1.01 -0.69 0.33 121.20 125.75 2ror s ILE 64 Ca -0.02 -1.15 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 2ror s ILE 64 Cb -0.03 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2ror s ILE 64 CO 0.02 -0.30 0.09 -0.55 0.00 0.00 0.00 174.94 174.19 2ror s SER 65 N 1.67 5.25 0.01 3.58 0.15 -1.04 -2.05 113.70 121.27 2ror s SER 65 Ca 0.01 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.39 2ror s SER 65 Cb -0.20 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 2ror s SER 65 CO 0.04 -0.09 -0.18 -0.51 1.20 0.00 0.00 173.24 173.70 2ror s ILE 66 N 1.61 1.42 -0.19 6.45 -1.16 -0.77 -2.08 121.20 126.48 2ror s ILE 66 Ca 0.06 -0.91 -0.18 0.00 -0.51 0.00 0.00 60.65 59.10 2ror s ILE 66 Cb -0.16 -1.21 -0.03 0.00 0.61 0.00 0.00 42.46 41.67 2ror s ILE 66 CO 0.04 0.28 0.51 -0.75 -2.81 0.00 0.00 174.94 172.21 2ror s LYS 67 N -0.74 4.22 -0.28 3.50 2.47 -0.28 -1.30 119.74 127.33 2ror s LYS 67 Ca 0.06 0.42 -0.20 0.00 -1.56 0.00 0.00 55.97 54.68 2ror s LYS 67 Cb -0.07 -3.54 0.09 0.00 -1.46 0.00 0.00 37.83 32.85 2ror s LYS 67 CO 0.00 -0.09 0.80 -0.47 0.16 0.00 0.00 175.35 175.75 2ror s TYR 68 N 1.46 -0.80 -0.49 4.03 5.04 -0.58 -0.89 117.35 125.11 2ror s TYR 68 Ca 0.24 1.75 -0.01 0.00 -2.44 0.00 0.00 57.07 56.62 2ror s TYR 68 Cb -0.15 0.43 -0.01 0.00 0.35 0.00 0.00 41.96 42.58 2ror s TYR 68 CO 0.10 -0.39 0.41 -1.71 -1.34 0.00 0.00 175.55 172.62 2ror n ASN 69 N 3.34 -2.41 -1.81 4.32 4.05 -1.26 -3.07 115.26 118.41 2ror n ASN 69 Ca -0.17 -0.27 -0.05 0.00 0.45 0.00 0.00 54.58 54.55 2ror n ASN 69 Cb 0.57 -2.45 -0.01 0.00 1.23 0.00 0.00 39.78 39.12 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 -2.29 -0.11 -3.74 3.44 0.24 -1.26 -4.85 118.33 109.75 2ror n VAL 70 Ca -0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2ror n VAL 70 Cb 0.57 -0.56 -0.11 0.00 -1.47 0.00 0.00 33.84 32.27 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 -3.70 0.35 -0.18 7.34 2.02 -1.18 -5.14 118.70 118.22 2ror s GLU 71 Ca 0.00 0.53 -0.20 0.00 0.02 0.00 0.00 54.97 55.32 2ror s GLU 71 Cb 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 2ror s GLU 71 CO 0.00 -0.09 0.59 0.08 0.02 0.00 0.00 175.26 175.86 2ror s VAL 72 N 0.60 5.06 0.30 2.63 1.01 -1.26 -1.52 120.40 127.23 2ror s VAL 72 Ca -0.03 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.14 2ror s VAL 72 Cb -0.05 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2ror s VAL 72 CO -0.04 0.16 0.25 -0.54 0.00 0.00 0.00 175.10 174.94 2ror s LYS 73 N 1.60 2.80 -0.06 2.72 -0.14 -0.42 -4.98 119.74 121.26 2ror s LYS 73 Ca 0.28 -1.20 -0.11 0.00 -1.36 0.00 0.00 55.97 53.57 2ror s LYS 73 Cb -0.16 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 33.51 2ror s LYS 73 CO 0.11 0.22 0.27 -1.01 -0.76 0.00 0.00 175.35 174.18 2ror s HIS 74 N -2.24 -0.21 -0.04 3.18 3.76 -1.26 -1.85 115.29 116.63 2ror s HIS 74 Ca 0.38 0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.78 2ror s HIS 74 Cb -0.07 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.71 2ror s HIS 74 CO 0.26 -0.25 -0.12 0.42 -0.85 0.00 0.00 174.74 174.20 2ror s ILE 75 N -0.58 1.02 -0.08 0.60 1.01 -0.87 -4.97 121.20 117.33 2ror s ILE 75 Ca -0.07 -0.48 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 2ror s ILE 75 Cb -0.04 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2ror s ILE 75 CO 0.02 0.31 0.77 -0.75 0.00 0.00 0.00 174.94 175.28 2ror s LYS 76 N 0.20 4.42 -0.16 2.79 2.20 -1.26 -1.70 119.74 126.22 2ror s LYS 76 Ca -0.04 0.98 -0.06 0.00 -0.36 0.00 0.00 55.97 56.48 2ror s LYS 76 Cb -0.10 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2ror s LYS 76 CO 0.01 -0.04 0.05 0.42 -0.36 0.00 0.00 175.35 175.43 2ror s ILE 77 N 1.15 4.71 0.39 5.43 1.01 0.11 -4.58 121.20 129.41 2ror s ILE 77 Ca 0.39 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2ror s ILE 77 Cb -0.18 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2ror s ILE 77 CO 0.18 0.50 0.57 -0.04 0.00 0.00 0.00 174.94 176.15 2ror s MET 78 N 0.07 3.12 -0.01 2.79 -1.94 0.11 -3.41 119.30 120.03 2ror s MET 78 Ca 0.05 -0.70 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2ror s MET 78 Cb -0.12 -2.68 0.01 0.00 2.01 0.00 0.00 34.83 34.04 2ror s MET 78 CO 0.01 -0.09 -0.03 0.95 -0.01 0.00 0.00 175.02 175.85 2ror s THR 79 N -2.37 0.27 -0.18 2.05 -4.23 -1.26 -1.88 115.64 108.04 2ror s THR 79 Ca 0.46 -0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2ror s THR 79 Cb -0.10 -0.27 0.06 0.00 1.34 0.00 0.00 72.50 73.53 2ror s THR 79 CO 0.35 0.11 0.07 0.00 -0.54 0.00 0.00 174.62 174.60 2ror s ALA 80 N 0.29 0.67 -1.51 3.99 0.00 -1.22 -4.83 121.76 119.15 2ror s ALA 80 Ca -0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 2ror s ALA 80 Cb -0.06 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 22.02 2ror s ALA 80 CO -0.01 -1.18 0.62 0.39 0.00 0.00 0.00 175.76 175.58 2ror n GLU 81 N 5.18 -3.65 -1.28 0.00 1.02 -1.26 -0.73 120.64 119.92 2ror n GLU 81 Ca -0.08 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2ror n GLU 81 Cb 0.48 -4.87 0.00 0.00 -0.02 0.00 0.00 31.44 27.03 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 -1.75 0.51 3.83 0.62 0.00 -1.26 -5.06 105.19 102.09 2ror n GLY 82 Ca -0.15 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 2ror n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ror n LEU 83 N 0.00 0.00 -3.66 0.99 4.77 0.09 -4.68 117.00 114.50 2ror n LEU 83 Ca 0.00 -2.75 -0.08 0.00 -0.03 0.00 0.00 56.01 53.15 2ror n LEU 83 Cb 0.20 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2ror n LEU 83 CO 0.00 -0.63 0.05 -0.31 -1.33 0.00 0.00 177.39 175.17 2ror s TYR 84 N -2.69 -0.84 -0.25 -1.77 1.51 -1.23 -3.42 117.35 108.66 2ror s TYR 84 Ca 0.41 1.59 -0.20 0.00 -1.01 0.00 0.00 57.07 57.85 2ror s TYR 84 Cb -0.03 0.35 0.07 0.00 -0.11 0.00 0.00 41.96 42.24 2ror s TYR 84 CO 0.26 -0.49 0.65 -0.98 -1.11 0.00 0.00 175.55 173.88 2ror s ARG 85 N 2.57 0.73 -0.00 -0.62 1.70 -0.79 -1.69 118.95 120.85 2ror s ARG 85 Ca -0.03 1.00 0.21 0.00 -0.47 0.00 0.00 55.73 56.45 2ror s ARG 85 Cb -0.12 0.28 -0.20 0.00 -0.57 0.00 0.00 34.95 34.35 2ror s ARG 85 CO -0.13 -0.11 0.86 0.44 -1.08 0.00 0.00 175.30 175.27 2ror n ILE 86 N 3.29 0.01 -3.79 4.99 -6.64 -1.26 -0.72 119.36 115.24 2ror n ILE 86 Ca -0.16 -0.10 -0.13 0.00 -1.77 0.00 0.00 62.75 60.59 2ror n ILE 86 Cb 0.56 0.75 -0.13 0.00 -1.44 0.00 0.00 39.64 39.38 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 -3.10 -0.02 0.65 7.28 -4.23 -1.26 -4.89 115.64 110.07 2ror s THR 87 Ca 0.05 0.06 0.28 0.00 -1.18 0.00 0.00 61.69 60.90 2ror s THR 87 Cb 0.16 -0.24 0.31 0.00 1.34 0.00 0.00 72.50 74.06 2ror s THR 87 CO 0.86 0.02 1.87 1.05 -0.54 0.00 0.00 174.62 177.89 2ror h GLU 88 N 6.36 0.00 0.01 3.99 4.11 -2.03 -1.05 114.58 125.97 2ror h GLU 88 Ca -0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2ror h GLU 88 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2ror h GLU 88 CO 0.41 0.00 -0.01 0.87 0.07 0.00 0.00 179.01 180.36 2ror h LYS 89 N 0.00 -0.02 -6.56 1.06 6.56 -2.01 -3.46 116.57 112.15 2ror h LYS 89 Ca 0.05 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.13 2ror h LYS 89 Cb 0.86 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.50 2ror h LYS 89 CO -0.00 0.70 -0.05 0.21 -2.06 0.00 0.00 179.45 178.24 2ror s LYS 90 N -2.25 3.78 0.08 3.15 2.47 -0.40 -5.10 119.74 121.47 2ror s LYS 90 Ca -0.14 0.29 -0.20 0.00 -1.56 0.00 0.00 55.97 54.36 2ror s LYS 90 Cb -0.02 -2.57 0.05 0.00 -1.46 0.00 0.00 37.83 33.82 2ror s LYS 90 CO 0.52 0.21 0.47 0.00 0.16 0.00 0.00 175.35 176.71 2ror s ALA 91 N -2.00 -1.18 0.27 3.13 0.00 -1.26 -4.20 121.76 116.51 2ror s ALA 91 Ca 0.48 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 2ror s ALA 91 Cb -0.11 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 2ror s ALA 91 CO 0.25 -0.55 0.28 -0.06 0.00 0.00 0.00 175.76 175.68 2ror s PHE 92 N -2.92 1.18 -0.19 0.00 0.40 -0.68 -5.01 117.98 110.76 2ror s PHE 92 Ca -0.03 -1.34 0.00 0.00 -0.60 0.00 0.00 56.93 54.96 2ror s PHE 92 Cb -0.00 -0.40 -0.22 0.00 0.51 0.00 0.00 43.02 42.91 2ror s PHE 92 CO -0.06 -0.85 0.08 -2.13 0.70 0.00 0.00 175.22 172.97 2ror n ARG 93 N -0.43 0.70 -4.04 0.44 3.00 -1.26 -3.54 116.66 111.52 2ror n ARG 93 Ca 0.03 0.19 -0.09 0.00 -0.00 0.00 0.00 57.85 57.98 2ror n ARG 93 Cb 0.64 -1.61 -0.11 0.00 0.00 0.00 0.00 32.46 31.38 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 -6.00 0.40 0.19 5.14 0.00 -1.26 -4.44 107.32 101.35 2ror s GLY 94 Ca -0.27 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.45 2ror s GLY 94 CO 0.70 -0.95 1.68 -2.00 0.00 0.00 0.00 173.10 172.53 2ror h LEU 95 N 4.05 -0.22 -0.05 0.66 5.85 -1.91 -2.62 115.31 121.07 2ror h LEU 95 Ca -0.34 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2ror h LEU 95 Cb 1.19 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2ror h LEU 95 CO 0.50 -0.08 -0.08 0.74 -0.34 0.00 0.00 178.44 179.18 2ror h THR 96 N 0.11 0.00 -0.96 1.05 2.02 -1.99 -0.96 112.91 112.18 2ror h THR 96 Ca 0.26 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.72 2ror h THR 96 Cb 0.39 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.63 2ror h THR 96 CO -0.43 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.28 2ror h GLU 97 N -0.07 0.05 -0.81 6.66 3.07 -1.91 0.98 114.58 122.55 2ror h GLU 97 Ca 0.01 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 2ror h GLU 97 Cb 0.09 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.92 2ror h GLU 97 CO -0.08 0.03 0.47 1.25 -1.40 0.00 0.00 179.01 179.28 2ror h LEU 98 N 0.05 0.68 0.05 1.33 6.46 -0.85 0.33 115.31 123.37 2ror h LEU 98 Ca 0.62 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.42 2ror h LEU 98 Cb 1.35 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2ror h LEU 98 CO -0.84 0.40 -0.02 0.58 -0.62 0.00 0.00 178.44 177.94 2ror h VAL 99 N 0.80 1.07 0.00 1.05 2.07 0.18 -2.65 116.25 118.78 2ror h VAL 99 Ca 0.39 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2ror h VAL 99 Cb 0.33 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2ror h VAL 99 CO -0.23 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 2ror n GLU 100 N -4.75 0.04 -0.12 1.57 1.02 0.11 -2.30 120.64 116.20 2ror n GLU 100 Ca -0.07 0.30 -0.26 0.00 -0.02 0.00 0.00 57.16 57.11 2ror n GLU 100 Cb 0.29 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.34 0.54 -0.30 -0.32 7.35 0.12 -4.36 117.46 119.14 2ror n PHE 101 Ca 0.02 0.23 0.10 0.00 -0.76 0.00 0.00 57.45 57.04 2ror n PHE 101 Cb 0.04 -1.05 0.33 0.00 0.35 0.00 0.00 39.48 39.14 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 -0.99 0.93 0.00 -5.13 0.05 -1.08 0.15 116.97 110.90 2ror h TYR 102 Ca -0.52 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2ror h TYR 102 Cb 1.46 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.90 2ror h TYR 102 CO 0.01 0.36 0.28 1.96 -1.05 0.00 0.00 178.16 179.73 2ror h GLN 103 N 0.80 0.00 0.00 4.88 4.20 -1.71 0.20 115.11 123.49 2ror h GLN 103 Ca 0.46 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 59.00 2ror h GLN 103 Cb 0.61 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2ror h GLN 103 CO -0.22 0.00 -1.64 1.04 -0.67 0.00 0.00 178.83 177.34 2ror n GLN 104 N -2.18 2.21 -3.64 1.46 3.00 0.44 -4.65 117.38 114.02 2ror n GLN 104 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.59 2ror n GLN 104 Cb 0.31 -1.24 -0.11 0.00 0.00 0.00 0.00 30.24 29.20 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 -4.26 5.61 0.02 1.08 0.01 0.06 -5.05 114.94 112.41 2ror s ASN 105 Ca -0.06 -0.71 -0.33 0.00 -0.71 0.00 0.00 52.86 51.05 2ror s ASN 105 Cb 0.03 -2.01 -0.12 0.00 0.41 0.00 0.00 41.25 39.57 2ror s ASN 105 CO 0.36 -0.27 1.82 -0.24 -1.51 0.00 0.00 177.10 177.27 2ror n SER 106 N 4.98 3.58 0.25 -1.22 2.88 -1.26 -4.59 113.62 118.25 2ror n SER 106 Ca -0.13 0.99 0.13 0.00 -1.33 0.00 0.00 58.87 58.53 2ror n SER 106 Cb 0.48 -1.44 0.68 0.00 -0.75 0.00 0.00 64.21 63.19 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 8.59 0.00 -2.02 2.46 4.07 -1.72 -1.25 115.31 125.44 2ror h LEU 107 Ca -0.48 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.51 2ror h LEU 107 Cb 1.25 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.99 2ror h LEU 107 CO 0.93 0.00 0.35 0.07 -1.08 0.00 0.00 178.44 178.71 2ror h LYS 108 N 0.00 0.00 -0.12 1.13 2.10 -1.28 0.39 116.57 118.79 2ror h LYS 108 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 2ror h LYS 108 Cb 0.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2ror h LYS 108 CO 0.00 0.00 -0.56 0.22 -2.00 0.00 0.00 179.45 177.11 2ror h ASP 109 N 0.00 0.39 0.00 7.07 1.82 -1.52 -3.34 116.42 120.85 2ror h ASP 109 Ca 0.04 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2ror h ASP 109 Cb 0.73 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2ror h ASP 109 CO -0.00 0.88 -0.91 0.00 -1.61 0.00 0.00 179.24 177.60 2ror s PHE 111 N -2.80 3.62 0.63 0.00 0.08 0.88 -4.89 117.98 115.49 2ror s PHE 111 Ca -0.26 -1.80 0.22 0.00 0.12 0.00 0.00 56.93 55.20 2ror s PHE 111 Cb 0.04 -3.84 1.01 0.00 -0.57 0.00 0.00 43.02 39.66 2ror s PHE 111 CO 0.39 -1.02 1.53 1.57 -0.10 0.00 0.00 175.22 177.59 2ror h LYS 112 N 8.08 0.00 0.16 0.44 -0.00 -1.78 0.18 116.57 123.65 2ror h LYS 112 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.66 2ror h LYS 112 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 2ror h LYS 112 CO 0.83 0.00 -0.07 0.77 -0.00 0.00 0.00 179.45 180.98 2ror h SER 113 N 0.00 -0.18 -1.94 7.07 0.02 -1.90 -3.38 113.55 113.25 2ror h SER 113 Ca 0.19 -0.24 -0.64 0.00 -0.84 0.00 0.00 61.79 60.25 2ror h SER 113 Cb 1.73 0.05 -0.14 0.00 0.14 0.00 0.00 62.40 64.18 2ror h SER 113 CO -0.00 0.16 1.07 -0.76 -1.14 0.00 0.00 176.83 176.15 2ror s LEU 114 N -9.55 4.26 -0.20 5.07 1.43 0.62 -4.86 118.68 115.46 2ror s LEU 114 Ca -0.15 -1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 51.36 2ror s LEU 114 Cb 0.03 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.91 2ror s LEU 114 CO 0.61 -1.33 1.99 0.47 0.23 0.00 0.00 176.35 178.32 2ror n ASP 115 N 7.75 5.96 -3.57 2.29 8.00 -1.26 -1.12 116.55 134.60 2ror n ASP 115 Ca 0.23 -2.81 -0.11 0.00 0.71 0.00 0.00 54.79 52.81 2ror n ASP 115 Cb 0.49 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ror s THR 116 N -1.42 0.05 0.43 -3.53 -1.32 -1.26 -4.85 115.64 103.73 2ror s THR 116 Ca 0.19 -0.40 0.07 0.00 -1.21 0.00 0.00 61.69 60.34 2ror s THR 116 Cb 0.15 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 2ror s THR 116 CO -0.00 -0.22 0.24 0.28 -2.21 0.00 0.00 174.62 172.70 2ror s THR 117 N -3.70 2.30 -0.23 5.08 -1.32 -1.26 -3.28 115.64 113.24 2ror s THR 117 Ca 0.02 -1.61 -0.30 0.00 -1.21 0.00 0.00 61.69 58.59 2ror s THR 117 Cb 0.01 -2.91 -0.07 0.00 -1.51 0.00 0.00 72.50 68.02 2ror s THR 117 CO -0.12 0.00 2.19 0.18 -2.21 0.00 0.00 174.62 174.66 2ror n LEU 118 N -1.35 3.04 -0.07 9.08 4.32 -1.26 -4.84 117.00 125.92 2ror n LEU 118 Ca -0.01 0.32 -0.21 0.00 -0.02 0.00 0.00 56.01 56.09 2ror n LEU 118 Cb 0.64 -1.47 -0.12 0.00 -1.62 0.00 0.00 43.42 40.84 2ror n LEU 118 CO 0.44 -0.63 -0.51 1.56 -1.22 0.00 0.00 177.39 177.04 2ror h GLN 119 N 13.93 0.07 -3.20 3.23 1.08 -1.65 -3.42 115.11 125.15 2ror h GLN 119 Ca -0.38 -0.13 -0.18 0.00 -1.45 0.00 0.00 58.65 56.51 2ror h GLN 119 Cb 1.26 0.05 -0.27 0.00 -0.05 0.00 0.00 27.48 28.47 2ror h GLN 119 CO 0.97 1.06 -0.49 -0.06 -0.95 0.00 0.00 178.83 179.37 2ror s PHE 120 N -2.40 -0.24 0.00 2.96 0.08 -1.09 -4.84 117.98 112.44 2ror s PHE 120 Ca -0.26 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.37 2ror s PHE 120 Cb 0.05 0.06 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 2ror s PHE 120 CO 0.65 -0.13 0.00 -0.35 -0.10 0.00 0.00 175.22 175.29 2ror n PRO 121 N 3.24 -0.64 0.04 0.24 -0.04 -1.26 0.85 135.00 137.44 2ror n PRO 121 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 2ror n PRO 121 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.32 0.66 0.00 0.54 3.57 -1.41 -3.37 116.94 115.60 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 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2ror h PHE 122 CO 0.00 1.09 -0.26 1.63 -2.23 0.00 0.00 178.31 178.55 2ror n LYS 123 N -3.83 0.23 -3.62 1.11 5.02 -0.62 -5.01 118.16 111.44 2ror n LYS 123 Ca -0.05 0.39 -0.05 0.00 -2.02 0.00 0.00 58.31 56.57 2ror n LYS 123 Cb 0.75 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.63 0.28 0.49 1.97 -1.05 -1.25 -5.11 118.70 112.40 2ror s GLU 124 Ca -0.07 0.07 -0.08 0.00 -0.15 0.00 0.00 54.97 54.74 2ror s GLU 124 Cb 0.01 0.13 0.12 0.00 -0.44 0.00 0.00 34.13 33.95 2ror s GLU 124 CO 0.11 -0.09 0.44 -0.35 0.95 0.00 0.00 175.26 176.32 2ror n PRO 125 N 0.63 -1.87 -3.62 -4.83 -0.04 -1.26 -4.49 135.00 119.52 2ror n PRO 125 Ca -0.04 -0.70 -0.15 0.00 -0.04 0.00 0.00 63.50 62.57 2ror n PRO 125 Cb 0.58 -0.65 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.99 0.85 -0.18 0.54 2.12 -1.26 -5.01 118.70 111.77 2ror s GLU 126 Ca 0.28 0.61 -0.17 0.00 0.36 0.00 0.00 54.97 56.06 2ror s GLU 126 Cb -0.03 0.41 -0.06 0.00 0.26 0.00 0.00 34.13 34.71 2ror s GLU 126 CO 0.22 -0.18 -0.32 1.63 -0.54 0.00 0.00 175.26 176.07 2ror n LYS 127 N 2.02 0.52 -1.48 4.30 4.01 -1.26 -4.98 118.16 121.31 2ror n LYS 127 Ca -0.16 0.26 -0.50 0.00 -0.51 0.00 0.00 58.31 57.41 2ror n LYS 127 Cb 0.56 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.57 2ror n LYS 127 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2ror n ARG 128 N -4.47 0.40 -3.59 1.97 1.74 -1.26 -4.97 116.66 106.48 2ror n ARG 128 Ca -0.16 0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 56.90 2ror n ARG 128 Cb 0.51 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.51 2ror n ARG 128 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2ror s THR 129 N -0.70 0.00 -1.21 0.55 2.01 -1.26 -4.97 115.64 110.07 2ror s THR 129 Ca 0.69 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 2ror s THR 129 Cb -0.94 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 2ror s THR 129 CO 0.56 -0.02 0.91 -0.38 -0.69 0.00 0.00 174.62 175.00 2ror n ILE 130 N 1.71 -5.89 0.05 1.82 5.41 -1.26 -4.93 119.36 116.26 2ror n ILE 130 Ca -0.17 -0.58 -0.20 0.00 1.00 0.00 0.00 62.75 62.80 2ror n ILE 130 Cb 0.56 -4.81 -0.14 0.00 -0.71 0.00 0.00 39.64 34.54 2ror n ILE 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2ror h SER 131 N -1.82 0.50 -3.79 4.38 0.02 -2.01 -3.46 113.55 107.37 2ror h SER 131 Ca -0.60 -0.93 -0.27 0.00 -0.84 0.00 0.00 61.79 59.15 2ror h SER 131 Cb 1.34 -0.16 -0.28 0.00 0.14 0.00 0.00 62.40 63.44 2ror h SER 131 CO 0.51 1.39 -0.73 -0.13 -1.14 0.00 0.00 176.83 176.73 2ror s ARG 132 N -2.53 0.17 -0.08 3.45 0.52 -1.26 -5.15 118.95 114.08 2ror s ARG 132 Ca -0.13 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 2ror s ARG 132 Cb 0.01 -0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.28 2ror s ARG 132 CO 0.84 0.04 -0.14 -1.54 0.02 0.00 0.00 175.30 174.51 2ror s SER 133 N 0.00 4.00 0.00 0.23 1.04 -1.26 -5.01 113.70 112.70 2ror s SER 133 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2ror s SER 133 Cb -0.01 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2ror s SER 133 CO -0.00 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2ror n GLY 134 N 2.74 2.59 0.26 7.32 0.00 -1.26 -5.03 105.19 111.82 2ror n GLY 134 Ca -0.17 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2ror n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ror h PRO 135 N 0.00 0.92 -5.30 1.61 0.13 -2.09 -3.44 132.00 123.82 2ror h PRO 135 Ca 0.00 -0.48 -0.49 0.00 -0.87 0.00 0.00 66.00 64.16 2ror h PRO 135 Cb 0.00 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 30.85 2ror h PRO 135 CO 0.00 1.14 -0.81 -1.12 -0.23 0.00 0.00 178.00 176.97 2ror s SER 136 N -6.84 1.67 -0.31 1.44 0.01 -1.26 -5.12 113.70 103.28 2ror s SER 136 Ca -0.11 -0.26 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 2ror s SER 136 Cb 0.11 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.16 2ror s SER 136 CO 0.88 0.17 0.12 -0.55 0.41 0.00 0.00 173.24 174.28 2ror s SER 137 N -0.33 5.37 0.00 2.44 0.15 -1.26 -5.22 113.70 114.85 2ror s SER 137 Ca 0.05 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2ror s SER 137 Cb -0.06 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2ror s SER 137 CO -0.01 -0.22 0.18 0.61 1.20 0.00 0.00 173.24 175.01