#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puk n VAL 9 N 0.00 -9.33 -1.77 2.62 0.31 -1.26 -4.96 118.33 103.94 2puk n VAL 9 Ca 0.00 2.01 -0.33 0.00 -0.01 0.00 0.00 64.34 66.01 2puk n VAL 9 Cb 0.00 -5.03 0.05 0.00 -0.91 0.00 0.00 33.84 27.95 2puk n VAL 9 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2puk s GLN 10 N -1.10 2.79 0.21 5.55 0.74 -1.26 -4.66 119.66 121.93 2puk s GLN 10 Ca -0.02 1.43 -0.04 0.00 0.05 0.00 0.00 55.36 56.78 2puk s GLN 10 Cb 0.00 -1.95 -0.05 0.00 1.10 0.00 0.00 33.01 32.11 2puk s GLN 10 CO 0.04 -1.27 0.45 -0.51 -0.55 0.00 0.00 175.29 173.46 2puk s ASP 11 N -2.49 6.47 -0.02 6.67 1.01 -1.26 -1.55 116.67 125.49 2puk s ASP 11 Ca 0.68 0.61 0.02 0.00 0.71 0.00 0.00 52.55 54.57 2puk s ASP 11 Cb -0.21 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2puk s ASP 11 CO 0.41 -0.06 -0.08 0.54 0.21 0.00 0.00 175.17 176.19 2puk s VAL 12 N -1.85 0.66 0.00 -1.27 0.11 -0.40 -4.88 120.40 112.76 2puk s VAL 12 Ca 0.42 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2puk s VAL 12 Cb -0.11 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2puk s VAL 12 CO 0.27 0.21 0.00 -0.46 -3.33 0.00 0.00 175.10 171.79 2puk n ASN 13 N 3.21 1.38 -0.20 3.54 0.23 -1.26 -4.47 115.26 117.68 2puk n ASN 13 Ca -0.17 -0.69 -0.09 0.00 -0.53 0.00 0.00 54.58 53.10 2puk n ASN 13 Cb 0.55 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.29 2puk n ASN 13 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2puk h ASP 14 N 0.00 1.04 1.51 0.53 3.32 -1.92 -2.82 116.42 118.08 2puk h ASP 14 Ca 0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2puk h ASP 14 Cb 0.00 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2puk h ASP 14 CO 0.00 1.09 -0.50 0.28 -1.72 0.00 0.00 179.24 178.39 2puk h SER 15 N 0.97 0.00 -0.26 6.45 0.02 -2.02 -3.34 113.55 115.36 2puk h SER 15 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2puk h SER 15 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2puk h SER 15 CO 0.03 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.27 2puk n SER 16 N -2.95 3.12 0.39 3.07 3.41 -1.22 -4.63 113.62 114.82 2puk n SER 16 Ca 0.01 -1.92 -0.16 0.00 -0.26 0.00 0.00 58.87 56.55 2puk n SER 16 Cb 0.58 -0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 2puk n SER 16 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2puk h TRP 17 N 3.99 -0.94 -0.95 7.33 2.91 -1.62 -1.93 115.95 124.75 2puk h TRP 17 Ca 0.00 -0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.18 2puk h TRP 17 Cb 0.90 0.31 -0.18 0.00 -0.51 0.00 0.00 29.16 29.68 2puk h TRP 17 CO 0.16 -0.58 -0.27 0.87 -1.03 0.00 0.00 178.44 177.59 2puk h LYS 18 N -1.12 -0.01 0.30 2.65 1.57 -1.84 0.29 116.57 118.42 2puk h LYS 18 Ca -0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2puk h LYS 18 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2puk h LYS 18 CO 0.17 -0.00 -0.15 1.49 -0.57 0.00 0.00 179.45 180.39 2puk h GLU 19 N -0.01 -0.39 -0.68 3.15 4.81 -1.86 -1.78 114.58 117.82 2puk h GLU 19 Ca 0.43 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2puk h GLU 19 Cb 0.67 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2puk h GLU 19 CO -0.97 -0.26 0.36 0.74 -0.73 0.00 0.00 179.01 178.14 2puk h PHE 20 N -1.08 0.93 0.00 0.92 -1.00 -1.19 -3.30 116.94 112.22 2puk h PHE 20 Ca -0.04 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2puk h PHE 20 Cb 0.31 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.57 2puk h PHE 20 CO 0.00 0.66 -0.35 0.28 -1.61 0.00 0.00 178.31 177.29 2puk n VAL 21 N -4.36 0.82 0.29 -0.55 0.31 0.08 -4.45 118.33 110.48 2puk n VAL 21 Ca 0.07 0.27 0.17 0.00 -0.01 0.00 0.00 64.34 64.84 2puk n VAL 21 Cb 0.11 -1.74 0.85 0.00 -0.91 0.00 0.00 33.84 32.15 2puk n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2puk h LEU 22 N -0.35 0.00 -1.41 7.52 3.38 -1.29 -3.10 115.31 120.06 2puk h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2puk h LEU 22 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2puk h LEU 22 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 2puk n GLU 23 N -2.79 -0.14 -2.07 1.13 1.02 -0.72 -3.06 120.64 114.01 2puk n GLU 23 Ca -0.01 -0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 55.98 2puk n GLU 23 Cb 0.15 -1.01 -0.02 0.00 -0.02 0.00 0.00 31.44 30.53 2puk n GLU 23 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2puk s SER 24 N -0.24 6.72 0.00 1.62 0.15 -1.17 -4.91 113.70 115.87 2puk s SER 24 Ca 0.01 2.62 0.30 0.00 0.70 0.00 0.00 55.95 59.58 2puk s SER 24 Cb 0.01 -2.62 1.51 0.00 -1.71 0.00 0.00 66.02 63.20 2puk s SER 24 CO 0.01 -0.64 2.01 -1.84 1.20 0.00 0.00 173.24 173.98 2puk n GLU 25 N 2.14 1.03 -4.42 5.44 0.00 -1.26 -4.41 120.64 119.16 2puk n GLU 25 Ca 0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 57.16 56.64 2puk n GLU 25 Cb 0.41 -1.49 -0.13 0.00 0.00 0.00 0.00 31.44 30.23 2puk n GLU 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2puk s VAL 26 N -2.16 2.38 0.44 3.84 0.11 -1.26 -4.96 120.40 118.78 2puk s VAL 26 Ca 0.39 -1.67 -0.25 0.00 -2.93 0.00 0.00 61.98 57.53 2puk s VAL 26 Cb 0.21 -2.05 -0.08 0.00 -1.53 0.00 0.00 36.38 32.93 2puk s VAL 26 CO 0.40 0.12 1.32 -2.84 -3.33 0.00 0.00 175.10 170.76 2puk s PRO 27 N -2.00 3.78 -0.11 1.54 0.02 -1.26 -4.56 135.00 132.41 2puk s PRO 27 Ca 0.15 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2puk s PRO 27 Cb -0.10 -2.63 -0.02 0.00 0.02 0.00 0.00 34.50 31.78 2puk s PRO 27 CO 0.07 -0.66 -0.15 0.08 -0.33 0.00 0.00 177.00 176.01 2puk s VAL 28 N -1.29 2.92 -0.28 3.83 1.01 0.17 0.32 120.40 127.07 2puk s VAL 28 Ca 0.60 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2puk s VAL 28 Cb -0.38 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 33.86 2puk s VAL 28 CO 0.48 0.54 -0.05 -0.32 0.00 0.00 0.00 175.10 175.75 2puk s MET 29 N 0.09 2.40 -0.13 2.72 0.00 0.51 0.04 119.30 124.93 2puk s MET 29 Ca -0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 55.69 54.32 2puk s MET 29 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 34.83 31.61 2puk s MET 29 CO 0.05 -0.57 0.02 0.08 0.00 0.00 0.00 175.02 174.60 2puk s VAL 30 N 1.20 4.44 -0.46 10.11 1.01 0.22 -2.49 120.40 134.43 2puk s VAL 30 Ca -0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2puk s VAL 30 Cb -0.19 -2.93 0.10 0.00 0.00 0.00 0.00 36.38 33.36 2puk s VAL 30 CO -0.03 0.55 0.34 -0.62 0.00 0.00 0.00 175.10 175.33 2puk s ASP 31 N -0.30 5.81 -0.42 3.32 2.15 0.11 -1.11 116.67 126.22 2puk s ASP 31 Ca 0.07 -1.64 -0.28 0.00 0.43 0.00 0.00 52.55 51.13 2puk s ASP 31 Cb -0.12 -2.05 0.02 0.00 -0.30 0.00 0.00 42.92 40.47 2puk s ASP 31 CO 0.02 -0.65 1.06 -0.36 -0.17 0.00 0.00 175.17 175.07 2puk s PHE 32 N 1.46 2.95 0.35 -5.34 0.40 0.29 -0.79 117.98 117.30 2puk s PHE 32 Ca 0.04 0.80 0.04 0.00 -0.60 0.00 0.00 56.93 57.21 2puk s PHE 32 Cb -0.25 -4.06 -0.03 0.00 0.51 0.00 0.00 43.02 39.18 2puk s PHE 32 CO 0.02 -1.05 0.16 1.67 0.70 0.00 0.00 175.22 176.71 2puk s TRP 33 N 4.01 1.72 -0.16 0.36 1.48 -0.81 -2.17 118.94 123.36 2puk s TRP 33 Ca 0.44 -1.35 -0.11 0.00 -1.06 0.00 0.00 56.10 54.02 2puk s TRP 33 Cb -0.10 -0.99 0.05 0.00 -1.16 0.00 0.00 33.47 31.28 2puk s TRP 33 CO 0.25 -0.44 0.40 0.00 -4.06 0.00 0.00 176.95 173.10 2puk s ALA 34 N -3.41 -1.02 0.64 2.67 0.00 -1.26 -1.30 121.76 118.08 2puk s ALA 34 Ca 0.31 1.34 0.31 0.00 0.00 0.00 0.00 51.96 53.93 2puk s ALA 34 Cb 0.04 -0.80 1.69 0.00 0.00 0.00 0.00 23.12 24.05 2puk s ALA 34 CO 0.17 -0.23 1.95 -1.35 0.00 0.00 0.00 175.76 176.30 2puk h PRO 35 N 6.37 0.00 -0.06 0.00 0.11 -2.00 -1.71 132.00 134.72 2puk h PRO 35 Ca -0.32 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2puk h PRO 35 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 2puk h PRO 35 CO 0.28 0.00 -0.60 0.91 -0.21 0.00 0.00 178.00 178.37 2puk n TRP 36 N -2.87 0.20 -3.80 0.65 7.02 -1.26 -4.97 117.44 112.41 2puk n TRP 36 Ca -0.02 -1.42 -0.36 0.00 -1.02 0.00 0.00 57.50 54.68 2puk n TRP 36 Cb 0.34 -0.24 -0.13 0.00 -2.42 0.00 0.00 31.31 28.86 2puk n TRP 36 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2puk n GLY 38 N 4.87 -3.25 0.43 0.00 0.00 -1.26 -1.49 105.19 104.49 2puk n GLY 38 Ca -0.16 0.57 0.22 0.00 0.00 0.00 0.00 46.02 46.65 2puk n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2puk h PRO 39 N 0.00 0.00 -0.88 1.61 0.11 -1.96 0.18 132.00 131.05 2puk h PRO 39 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 2puk h PRO 39 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2puk h PRO 39 CO 0.00 0.00 0.54 0.77 -0.21 0.00 0.00 178.00 179.10 2puk h SER 40 N 0.00 0.81 0.15 -2.05 0.02 -1.59 0.77 113.55 111.67 2puk h SER 40 Ca 0.27 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2puk h SER 40 Cb 1.65 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 2puk h SER 40 CO -0.00 0.49 -0.10 0.11 -1.14 0.00 0.00 176.83 176.19 2puk h LYS 41 N 0.93 0.00 0.17 3.45 1.57 -0.66 -2.85 116.57 119.18 2puk h LYS 41 Ca 0.41 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.94 2puk h LYS 41 Cb 0.28 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.61 2puk h LYS 41 CO -0.21 0.10 -1.11 -0.07 -0.57 0.00 0.00 179.45 177.59 2puk h LEU 42 N 0.00 0.55 -0.43 2.94 4.07 -0.94 -3.36 115.31 118.13 2puk h LEU 42 Ca -0.00 -0.93 -0.14 0.00 0.08 0.00 0.00 57.88 56.89 2puk h LEU 42 Cb 0.20 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 2puk h LEU 42 CO 0.01 1.52 -0.66 0.16 -1.08 0.00 0.00 178.44 178.39 2puk h ILE 43 N -0.22 1.31 -0.65 1.22 -0.00 -1.40 -3.37 117.51 114.40 2puk h ILE 43 Ca -0.21 -2.41 0.14 0.00 -0.00 0.00 0.00 64.86 62.38 2puk h ILE 43 Cb 1.80 2.36 -0.12 0.00 -0.00 0.00 0.00 36.82 40.87 2puk h ILE 43 CO 0.16 0.65 -0.07 0.00 -0.00 0.00 0.00 178.15 178.89 2puk h ALA 44 N 1.34 0.55 -0.75 0.16 0.00 -1.64 0.24 119.26 119.15 2puk h ALA 44 Ca -0.01 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2puk h ALA 44 Cb 1.31 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2puk h ALA 44 CO 0.09 -0.42 0.47 -1.35 0.00 0.00 0.00 179.25 178.04 2puk h PRO 45 N 0.06 0.86 -0.48 0.00 0.11 -1.77 -0.82 132.00 129.95 2puk h PRO 45 Ca 0.33 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 2puk h PRO 45 Cb 0.53 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2puk h PRO 45 CO -0.61 0.57 0.11 0.28 -0.21 0.00 0.00 178.00 178.13 2puk h VAL 46 N 0.89 1.24 -0.22 3.15 2.07 -1.01 0.17 116.25 122.54 2puk h VAL 46 Ca 0.31 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2puk h VAL 46 Cb 0.08 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2puk h VAL 46 CO -0.14 0.31 -0.07 0.40 0.02 0.00 0.00 177.57 178.09 2puk h ILE 47 N 0.66 1.17 -0.22 4.57 1.08 -0.50 0.16 117.51 124.44 2puk h ILE 47 Ca 0.15 -0.73 -0.19 0.00 -0.39 0.00 0.00 64.86 63.70 2puk h ILE 47 Cb 0.35 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2puk h ILE 47 CO 0.00 0.24 -0.63 0.44 -0.69 0.00 0.00 178.15 177.51 2puk h ASP 48 N 0.32 0.88 0.11 1.72 5.19 -0.35 -2.75 116.42 121.54 2puk h ASP 48 Ca 0.07 -0.51 -0.17 0.00 -0.62 0.00 0.00 57.03 55.80 2puk h ASP 48 Cb 0.33 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2puk h ASP 48 CO 0.02 1.29 -0.61 -0.08 -3.12 0.00 0.00 179.24 176.74 2puk h GLU 49 N 0.57 0.50 0.00 3.56 4.57 -0.40 -3.08 114.58 120.30 2puk h GLU 49 Ca -0.01 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 2puk h GLU 49 Cb 1.23 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2puk h GLU 49 CO 0.13 0.95 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.79 2puk h LEU 50 N 0.37 0.00 0.12 1.64 3.38 -0.99 -2.81 115.31 117.03 2puk h LEU 50 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2puk h LEU 50 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2puk h LEU 50 CO 0.11 0.06 -0.06 0.00 0.09 0.00 0.00 178.44 178.64 2puk h ALA 51 N 1.94 -0.16 -0.37 1.53 0.00 -1.39 -3.01 119.26 117.80 2puk h ALA 51 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2puk h ALA 51 Cb 0.62 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2puk h ALA 51 CO 0.01 -0.37 0.17 0.87 0.00 0.00 0.00 179.25 179.92 2puk h LYS 52 N -0.60 0.34 -0.37 0.00 1.57 -1.59 -2.87 116.57 113.04 2puk h LYS 52 Ca -0.02 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2puk h LYS 52 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2puk h LYS 52 CO 0.03 0.22 0.26 1.49 -0.57 0.00 0.00 179.45 180.88 2puk h GLU 53 N 0.35 0.16 -0.78 3.15 4.81 -1.53 -3.09 114.58 117.64 2puk h GLU 53 Ca 0.16 -0.01 -0.50 0.00 -0.13 0.00 0.00 59.36 58.88 2puk h GLU 53 Cb 0.09 -0.04 -0.42 0.00 0.63 0.00 0.00 28.75 29.02 2puk h GLU 53 CO -0.13 0.10 -0.87 0.66 -0.73 0.00 0.00 179.01 178.05 2puk n TYR 54 N -4.46 2.55 -1.70 0.92 4.02 -1.10 -5.05 117.16 112.34 2puk n TYR 54 Ca 0.05 -2.30 -0.44 0.00 -0.01 0.00 0.00 57.90 55.20 2puk n TYR 54 Cb 0.33 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 2puk n TYR 54 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2puk n SER 55 N -0.66 3.29 0.00 7.72 7.64 -1.14 -1.76 113.62 128.71 2puk n SER 55 Ca 0.37 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.38 2puk n SER 55 Cb 0.91 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2puk n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2puk n GLY 56 N 2.44 0.00 0.09 0.23 0.00 -1.26 -4.69 105.19 102.00 2puk n GLY 56 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2puk n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2puk n LYS 57 N -0.21 0.87 -3.97 1.61 5.02 -0.72 -5.02 118.16 115.74 2puk n LYS 57 Ca 0.00 0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 2puk n LYS 57 Cb 0.29 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2puk n LYS 57 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2puk s ILE 58 N -2.37 0.15 -0.23 -0.18 -4.36 -0.82 -4.35 121.20 109.04 2puk s ILE 58 Ca -0.19 -1.21 -0.12 0.00 -0.26 0.00 0.00 60.65 58.87 2puk s ILE 58 Cb 0.06 -0.93 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 2puk s ILE 58 CO 0.49 -0.67 0.24 0.00 0.24 0.00 0.00 174.94 175.24 2puk s ALA 59 N -2.72 3.59 -0.16 2.27 0.00 0.15 -4.72 121.76 120.17 2puk s ALA 59 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2puk s ALA 59 Cb -0.01 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2puk s ALA 59 CO -0.05 -0.24 -0.12 0.08 0.00 0.00 0.00 175.76 175.43 2puk s VAL 60 N 1.16 2.99 0.04 0.00 1.01 -1.26 -0.37 120.40 123.97 2puk s VAL 60 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2puk s VAL 60 Cb -0.14 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2puk s VAL 60 CO 0.06 0.50 -0.07 -0.31 0.00 0.00 0.00 175.10 175.28 2puk s TYR 61 N 0.79 0.56 -0.15 5.22 1.51 -1.04 -4.15 117.35 120.09 2puk s TYR 61 Ca -0.04 -0.50 -0.06 0.00 -1.01 0.00 0.00 57.07 55.46 2puk s TYR 61 Cb -0.15 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 2puk s TYR 61 CO 0.01 -0.11 0.06 0.15 -1.11 0.00 0.00 175.55 174.55 2puk s LYS 62 N -1.51 3.71 -0.24 -0.62 1.02 -0.60 -0.72 119.74 120.79 2puk s LYS 62 Ca -0.11 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2puk s LYS 62 Cb -0.10 -3.13 0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2puk s LYS 62 CO 0.00 0.43 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.56 2puk s LEU 63 N -0.09 3.07 -0.32 3.17 0.20 0.03 -1.28 118.68 123.46 2puk s LEU 63 Ca 0.07 -1.15 -0.29 0.00 0.69 0.00 0.00 54.13 53.44 2puk s LEU 63 Cb -0.12 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.11 2puk s LEU 63 CO 0.01 -0.13 1.24 0.21 -0.29 0.00 0.00 176.35 177.39 2puk s ASN 64 N 1.17 6.72 0.38 3.68 3.84 -1.26 -1.93 114.94 127.54 2puk s ASN 64 Ca -0.04 1.12 0.10 0.00 0.21 0.00 0.00 52.86 54.25 2puk s ASN 64 Cb -0.18 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 38.75 2puk s ASN 64 CO -0.07 -1.05 1.89 0.71 -2.79 0.00 0.00 177.10 175.79 2puk h THR 65 N 5.93 1.20 0.38 -5.21 1.35 -1.48 0.29 112.91 115.37 2puk h THR 65 Ca -0.25 -0.92 -0.02 0.00 -0.55 0.00 0.00 66.41 64.68 2puk h THR 65 Cb 1.09 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2puk h THR 65 CO 1.04 0.28 -0.18 0.44 -0.25 0.00 0.00 175.52 176.85 2puk h ASP 66 N 0.16 -0.43 -0.88 5.36 3.32 -1.92 -3.16 116.42 118.87 2puk h ASP 66 Ca 0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2puk h ASP 66 Cb 0.46 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2puk h ASP 66 CO 0.03 -0.08 0.50 -0.33 -1.72 0.00 0.00 179.24 177.64 2puk h GLU 67 N -0.81 1.22 -2.28 3.56 4.39 -1.90 -3.34 114.58 115.41 2puk h GLU 67 Ca -0.05 -0.13 -0.59 0.00 0.34 0.00 0.00 59.36 58.92 2puk h GLU 67 Cb 0.53 -0.25 -0.41 0.00 -0.10 0.00 0.00 28.75 28.52 2puk h GLU 67 CO 0.08 0.88 -0.71 0.00 -1.16 0.00 0.00 179.01 178.10 2puk n ALA 68 N -2.41 3.59 0.45 3.43 0.00 0.07 -4.93 120.51 120.72 2puk n ALA 68 Ca 0.09 -4.38 0.13 0.00 0.00 0.00 0.00 53.44 49.28 2puk n ALA 68 Cb 0.09 -0.89 0.47 0.00 0.00 0.00 0.00 19.45 19.12 2puk n ALA 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2puk h PRO 69 N 4.37 0.00 -0.37 0.00 0.13 -1.68 -3.17 132.00 131.28 2puk h PRO 69 Ca 0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 2puk h PRO 69 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2puk h PRO 69 CO 0.72 0.00 -0.31 0.78 -0.23 0.00 0.00 178.00 178.97 2puk h GLY 70 N 2.97 0.94 0.61 1.56 0.00 -1.91 -2.32 103.07 104.92 2puk h GLY 70 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 47.33 46.33 2puk h GLY 70 CO 0.00 0.84 -0.24 -2.22 0.00 0.00 0.00 176.54 174.92 2puk h ILE 71 N 0.67 1.44 -0.91 2.60 1.08 -1.94 -1.66 117.51 118.78 2puk h ILE 71 Ca 0.07 -1.66 0.15 0.00 -0.39 0.00 0.00 64.86 63.03 2puk h ILE 71 Cb 0.89 2.36 -0.10 0.00 -3.07 0.00 0.00 36.82 36.90 2puk h ILE 71 CO 0.08 0.47 0.51 0.00 -0.69 0.00 0.00 178.15 178.52 2puk h ALA 72 N 0.42 1.42 -0.15 1.87 0.00 -1.61 0.13 119.26 121.34 2puk h ALA 72 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2puk h ALA 72 Cb 0.88 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2puk h ALA 72 CO 0.05 -0.04 0.02 1.15 0.00 0.00 0.00 179.25 180.44 2puk h THR 73 N 0.71 1.22 -0.89 0.00 2.02 -1.45 -0.85 112.91 113.68 2puk h THR 73 Ca 0.50 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 67.04 2puk h THR 73 Cb 0.70 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 2puk h THR 73 CO -0.36 0.21 0.57 -0.61 0.37 0.00 0.00 175.52 175.71 2puk h GLN 74 N 0.03 0.92 -0.56 6.66 4.15 0.19 -0.94 115.11 125.55 2puk h GLN 74 Ca 0.04 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2puk h GLN 74 Cb 0.30 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2puk h GLN 74 CO 0.00 0.61 0.00 0.66 -1.93 0.00 0.00 178.83 178.17 2puk n TYR 75 N -4.51 1.41 -3.09 3.99 4.01 -0.32 -4.95 117.16 113.70 2puk n TYR 75 Ca 0.14 -0.66 -0.22 0.00 -0.16 0.00 0.00 57.90 57.01 2puk n TYR 75 Cb 0.25 -0.27 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2puk n TYR 75 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2puk n ASN 76 N 0.78 -4.83 -4.65 7.72 5.15 -0.36 -4.88 115.26 114.18 2puk n ASN 76 Ca 0.24 -0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 53.52 2puk n ASN 76 Cb 0.90 -3.96 -0.03 0.00 -0.53 0.00 0.00 39.78 36.16 2puk n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2puk s ILE 77 N -3.01 3.38 0.03 -1.44 -1.09 -0.35 -4.87 121.20 113.85 2puk s ILE 77 Ca 0.31 0.45 -0.04 0.00 -2.23 0.00 0.00 60.65 59.14 2puk s ILE 77 Cb -0.15 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 2puk s ILE 77 CO 0.38 -0.06 -0.08 0.54 -1.23 0.00 0.00 174.94 174.49 2puk n ARG 78 N 7.42 0.11 -2.93 2.79 1.74 -1.26 -4.79 116.66 119.74 2puk n ARG 78 Ca 0.19 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.99 2puk n ARG 78 Cb 0.43 -0.67 -0.06 0.00 -1.02 0.00 0.00 32.46 31.14 2puk n ARG 78 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2puk s SER 79 N -5.87 6.85 0.01 0.55 0.15 -1.26 -5.09 113.70 109.05 2puk s SER 79 Ca -0.06 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.11 2puk s SER 79 Cb 0.01 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2puk s SER 79 CO 0.09 -0.31 -0.03 0.27 1.20 0.00 0.00 173.24 174.46 2puk s ILE 80 N -2.12 0.17 0.31 6.45 -4.36 -1.26 -3.85 121.20 116.53 2puk s ILE 80 Ca 0.59 -0.51 -0.27 0.00 -0.26 0.00 0.00 60.65 60.19 2puk s ILE 80 Cb -0.10 -0.23 -0.09 0.00 1.25 0.00 0.00 42.46 43.29 2puk s ILE 80 CO 0.16 -0.22 1.00 -2.84 0.24 0.00 0.00 174.94 173.28 2puk s PRO 81 N -0.77 4.56 0.09 0.37 0.02 -1.26 -4.82 135.00 133.18 2puk s PRO 81 Ca -0.07 1.52 0.05 0.00 0.02 0.00 0.00 61.00 62.51 2puk s PRO 81 Cb -0.05 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 2puk s PRO 81 CO -0.00 0.22 0.00 0.99 -0.33 0.00 0.00 177.00 177.88 2puk s THR 82 N -1.43 4.05 -0.19 0.99 2.01 -0.92 0.29 115.64 120.44 2puk s THR 82 Ca 0.49 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.53 2puk s THR 82 Cb -0.24 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.37 2puk s THR 82 CO 0.30 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.49 2puk s VAL 83 N -1.31 2.03 -0.05 3.82 1.01 0.14 -0.55 120.40 125.49 2puk s VAL 83 Ca 0.26 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2puk s VAL 83 Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2puk s VAL 83 CO 0.18 0.46 -0.00 -0.22 0.00 0.00 0.00 175.10 175.52 2puk s LEU 84 N 1.29 3.52 -0.12 3.92 2.96 -0.27 -1.64 118.68 128.34 2puk s LEU 84 Ca 0.03 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 2puk s LEU 84 Cb -0.14 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2puk s LEU 84 CO -0.12 0.34 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.77 2puk s PHE 85 N -0.95 2.82 -0.10 5.38 0.40 -0.87 -0.61 117.98 124.05 2puk s PHE 85 Ca 0.16 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2puk s PHE 85 Cb -0.11 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.62 2puk s PHE 85 CO 0.05 -0.09 -0.15 -0.06 0.70 0.00 0.00 175.22 175.67 2puk s PHE 86 N 0.10 1.89 -0.17 0.36 0.40 0.11 -0.13 117.98 120.54 2puk s PHE 86 Ca -0.05 -0.85 0.01 0.00 -0.60 0.00 0.00 56.93 55.44 2puk s PHE 86 Cb -0.15 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.05 2puk s PHE 86 CO 0.04 -0.43 -0.15 0.21 0.70 0.00 0.00 175.22 175.59 2puk s LYS 87 N 0.91 2.42 -1.33 0.44 2.20 -0.88 0.44 119.74 123.94 2puk s LYS 87 Ca -0.09 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 54.78 2puk s LYS 87 Cb -0.15 -2.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 2puk s LYS 87 CO -0.00 -0.27 0.95 0.09 -0.36 0.00 0.00 175.35 175.75 2puk n ASN 88 N 4.71 -3.23 -1.38 1.43 3.02 -1.26 -1.83 115.26 116.72 2puk n ASN 88 Ca -0.17 -0.69 -0.18 0.00 -0.03 0.00 0.00 54.58 53.50 2puk n ASN 88 Cb 0.49 -4.55 -0.08 0.00 -0.61 0.00 0.00 39.78 35.04 2puk n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2puk n GLY 89 N -1.56 1.76 3.49 7.41 0.00 -1.17 -4.99 105.19 110.13 2puk n GLY 89 Ca -0.17 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2puk n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2puk s GLU 90 N -3.52 3.66 -0.50 1.61 2.02 -0.76 -4.99 118.70 116.22 2puk s GLU 90 Ca 0.00 -0.52 -0.27 0.00 0.02 0.00 0.00 54.97 54.19 2puk s GLU 90 Cb 0.00 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 2puk s GLU 90 CO 0.00 0.23 1.75 0.50 0.02 0.00 0.00 175.26 177.75 2puk s ARG 91 N 0.40 3.02 -0.12 1.61 3.52 -1.26 -2.06 118.95 124.07 2puk s ARG 91 Ca -0.04 0.89 0.05 0.00 -0.13 0.00 0.00 55.73 56.50 2puk s ARG 91 Cb -0.14 -4.26 -0.24 0.00 -1.56 0.00 0.00 34.95 28.75 2puk s ARG 91 CO 0.03 -2.25 0.37 1.63 -0.81 0.00 0.00 175.30 174.28 2puk n LYS 92 N 8.78 0.69 -3.63 5.12 4.76 0.81 -5.02 118.16 129.67 2puk n LYS 92 Ca 0.20 0.23 -0.13 0.00 -2.87 0.00 0.00 58.31 55.73 2puk n LYS 92 Cb 0.50 -1.70 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 2puk n LYS 92 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2puk s GLU 93 N -2.56 0.95 -0.20 1.97 2.12 -1.19 -4.98 118.70 114.82 2puk s GLU 93 Ca -0.15 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 54.86 2puk s GLU 93 Cb 0.07 0.43 0.07 0.00 0.26 0.00 0.00 34.13 34.96 2puk s GLU 93 CO 0.78 -0.33 0.08 -1.12 -0.54 0.00 0.00 175.26 174.14 2puk s SER 94 N -1.90 2.68 -0.23 -1.70 0.01 -1.26 -2.06 113.70 109.24 2puk s SER 94 Ca -0.06 -0.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 2puk s SER 94 Cb -0.01 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 2puk s SER 94 CO -0.01 -0.36 -0.03 -0.63 0.41 0.00 0.00 173.24 172.62 2puk s ILE 95 N 2.06 3.43 0.03 1.44 1.01 -0.65 -4.99 121.20 123.52 2puk s ILE 95 Ca 0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 2puk s ILE 95 Cb -0.16 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 2puk s ILE 95 CO -0.13 0.39 0.41 -0.63 0.00 0.00 0.00 174.94 174.98 2puk s ILE 96 N 1.48 5.04 0.00 2.92 1.01 -1.26 -0.68 121.20 129.71 2puk s ILE 96 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2puk s ILE 96 Cb -0.15 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2puk s ILE 96 CO -0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2puk n GLY 97 N 1.46 -1.76 3.34 6.18 0.00 0.14 -4.65 105.19 109.91 2puk n GLY 97 Ca -0.12 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 2puk n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2puk n ALA 98 N 0.05 4.15 -1.92 4.61 0.00 -1.26 -4.47 120.51 121.67 2puk n ALA 98 Ca 0.00 -4.05 -0.41 0.00 0.00 0.00 0.00 53.44 48.98 2puk n ALA 98 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 19.45 16.09 2puk n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2puk s VAL 99 N 2.69 2.87 0.61 0.00 1.01 -1.26 -4.99 120.40 121.34 2puk s VAL 99 Ca 0.47 0.73 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 2puk s VAL 99 Cb 0.04 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2puk s VAL 99 CO 0.02 0.12 1.28 -2.84 0.00 0.00 0.00 175.10 173.68 2puk s PRO 100 N -0.31 2.78 0.26 2.72 0.02 -1.26 -4.91 135.00 134.30 2puk s PRO 100 Ca 0.58 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 2puk s PRO 100 Cb -0.40 -1.95 0.45 0.00 0.02 0.00 0.00 34.50 32.62 2puk s PRO 100 CO 0.41 -1.41 1.83 -0.22 -0.33 0.00 0.00 177.00 177.28 2puk h LYS 101 N 0.82 0.87 -0.51 5.54 3.64 -1.97 -2.43 116.57 122.53 2puk h LYS 101 Ca -0.51 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 2puk h LYS 101 Cb 1.32 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2puk h LYS 101 CO 0.54 0.58 0.25 0.66 -2.27 0.00 0.00 179.45 179.21 2puk h SER 102 N 0.90 0.67 -0.35 4.20 4.64 -1.98 0.58 113.55 122.22 2puk h SER 102 Ca 0.43 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2puk h SER 102 Cb 0.38 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2puk h SER 102 CO -0.24 0.61 0.22 0.74 -0.87 0.00 0.00 176.83 177.29 2puk h THR 103 N 0.68 1.11 -0.73 2.95 2.02 -1.87 0.40 112.91 117.47 2puk h THR 103 Ca 0.18 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2puk h THR 103 Cb 0.12 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2puk h THR 103 CO -0.02 0.10 0.37 -0.07 0.37 0.00 0.00 175.52 176.27 2puk h LEU 104 N 0.46 0.94 0.11 2.58 4.07 -1.19 -1.89 115.31 120.39 2puk h LEU 104 Ca 0.13 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.98 2puk h LEU 104 Cb -0.02 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 2puk h LEU 104 CO -0.03 0.79 -0.16 0.74 -1.08 0.00 0.00 178.44 178.71 2puk h THR 105 N 1.02 0.64 -0.46 0.22 2.02 0.65 -1.48 112.91 115.52 2puk h THR 105 Ca 0.25 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.53 2puk h THR 105 Cb 0.09 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2puk h THR 105 CO -0.04 0.00 0.32 0.44 0.37 0.00 0.00 175.52 176.61 2puk h ASP 106 N -0.32 0.19 0.60 4.18 5.19 -0.04 -0.81 116.42 125.40 2puk h ASP 106 Ca 0.02 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.22 2puk h ASP 106 Cb 0.33 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2puk h ASP 106 CO -0.07 0.11 -0.92 0.28 -3.12 0.00 0.00 179.24 175.52 2puk h SER 107 N 0.21 0.27 -0.06 6.45 0.02 -0.92 -3.28 113.55 116.24 2puk h SER 107 Ca 0.21 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2puk h SER 107 Cb 0.57 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2puk h SER 107 CO -0.04 1.05 0.03 0.40 -1.14 0.00 0.00 176.83 177.14 2puk h ILE 108 N 0.11 1.06 -1.00 3.27 2.04 -0.09 -3.03 117.51 119.87 2puk h ILE 108 Ca -0.05 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.76 2puk h ILE 108 Cb 1.56 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 38.63 2puk h ILE 108 CO 0.14 0.05 0.63 -0.33 0.00 0.00 0.00 178.15 178.64 2puk h GLU 109 N 0.03 1.00 0.00 2.37 3.07 -1.60 -2.41 114.58 117.05 2puk h GLU 109 Ca 0.02 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2puk h GLU 109 Cb 0.05 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 2puk h GLU 109 CO -0.00 0.66 0.02 1.17 -1.40 0.00 0.00 179.01 179.46 2puk n LYS 110 N -4.58 0.00 0.00 2.33 4.81 -1.14 -2.81 118.16 116.77 2puk n LYS 110 Ca 0.18 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2puk n LYS 110 Cb 0.31 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2puk n LYS 110 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2puk n TYR 111 N -1.18 0.00 0.00 5.64 4.01 -0.90 -5.08 117.16 119.64 2puk n TYR 111 Ca 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2puk n TYR 111 Cb 0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2puk n TYR 111 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2puk n LEU 112 N -0.02 0.00 0.00 7.72 4.77 -1.12 -4.81 117.00 123.54 2puk n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2puk n LEU 112 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2puk n LEU 112 CO 0.00 0.00 0.05 -1.54 -1.33 0.00 0.00 177.39 174.57