#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fls h PRO 16 N 0.00 0.83 -0.39 2.12 0.11 -1.97 -1.89 132.00 130.81 2fls h PRO 16 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2fls h PRO 16 Cb 0.00 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 2fls h PRO 16 CO 0.00 0.55 0.15 -0.24 -0.21 0.00 0.00 178.00 178.24 2fls h VAL 17 N 0.85 1.15 -0.13 3.15 3.04 -1.95 0.77 116.25 123.14 2fls h VAL 17 Ca 0.51 -0.49 -0.04 0.00 -1.01 0.00 0.00 66.70 65.67 2fls h VAL 17 Cb 0.67 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2fls h VAL 17 CO -0.28 0.19 -0.08 0.78 -1.01 0.00 0.00 177.57 177.17 2fls h ASN 18 N 0.55 0.29 -0.10 3.17 2.35 -1.79 -2.03 115.58 118.01 2fls h ASN 18 Ca 0.13 -0.43 -0.08 0.00 -0.55 0.00 0.00 56.30 55.37 2fls h ASN 18 Cb 0.13 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2fls h ASN 18 CO -0.01 0.66 -0.17 1.56 -1.65 0.00 0.00 177.43 177.82 2fls h GLN 19 N -0.08 0.48 -0.02 0.81 4.20 -1.12 0.73 115.11 120.11 2fls h GLN 19 Ca 0.03 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2fls h GLN 19 Cb 0.56 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2fls h GLN 19 CO 0.02 0.63 0.01 0.82 -0.67 0.00 0.00 178.83 179.64 2fls h ILE 20 N 0.44 1.14 -0.40 2.54 2.04 -0.87 -1.20 117.51 121.19 2fls h ILE 20 Ca 0.08 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2fls h ILE 20 Cb 0.54 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2fls h ILE 20 CO 0.04 0.11 0.21 -0.61 0.00 0.00 0.00 178.15 177.90 2fls h GLN 21 N -0.14 0.56 -0.40 2.37 5.75 -0.89 -1.48 115.11 120.88 2fls h GLN 21 Ca 0.01 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 2fls h GLN 21 Cb 0.18 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.54 2fls h GLN 21 CO -0.00 0.47 -0.07 0.93 -2.65 0.00 0.00 178.83 177.51 2fls h GLU 22 N 0.52 0.03 -0.50 1.69 3.07 -0.87 -1.50 114.58 117.02 2fls h GLU 22 Ca 0.14 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 2fls h GLU 22 Cb 0.07 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2fls h GLU 22 CO -0.02 0.02 0.04 1.15 -1.40 0.00 0.00 179.01 178.80 2fls h THR 23 N 0.03 1.26 0.00 1.13 2.02 -0.65 -2.02 112.91 114.68 2fls h THR 23 Ca 0.20 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 2fls h THR 23 Cb 0.29 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2fls h THR 23 CO -0.39 0.36 -0.49 0.16 0.37 0.00 0.00 175.52 175.53 2fls h ILE 24 N 0.73 1.07 0.00 3.11 3.07 -1.20 -2.13 117.51 122.16 2fls h ILE 24 Ca 0.15 -1.89 -0.10 0.00 1.55 0.00 0.00 64.86 64.56 2fls h ILE 24 Cb 0.46 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.11 2fls h ILE 24 CO 0.02 0.48 -0.47 0.28 -1.05 0.00 0.00 178.15 177.41 2fls h SER 25 N 0.00 0.00 -0.01 2.16 0.02 -1.11 -3.30 113.55 111.32 2fls h SER 25 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fls h SER 25 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2fls h SER 25 CO 0.06 0.47 -0.62 0.47 -1.14 0.00 0.00 176.83 176.08 2fls n ASP 26 N -3.41 1.72 -4.01 3.07 8.00 -0.77 -4.88 116.55 116.28 2fls n ASP 26 Ca 0.01 -1.36 -0.20 0.00 0.71 0.00 0.00 54.79 53.94 2fls n ASP 26 Cb 0.63 0.63 -0.15 0.00 -0.02 0.00 0.00 41.12 42.20 2fls n ASP 26 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2fls s ASN 27 N -2.61 1.20 0.07 -2.24 0.01 -0.83 -5.07 114.94 105.47 2fls s ASN 27 Ca 0.15 -0.18 -0.37 0.00 -0.71 0.00 0.00 52.86 51.75 2fls s ASN 27 Cb 0.17 -0.28 -0.20 0.00 0.41 0.00 0.00 41.25 41.36 2fls s ASN 27 CO 0.65 0.08 1.58 0.00 -1.51 0.00 0.00 177.10 177.90 2fls s VAL 29 N -5.98 3.67 -0.09 0.00 1.01 -1.26 -1.25 120.40 116.50 2fls s VAL 29 Ca -0.19 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2fls s VAL 29 Cb 0.03 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2fls s VAL 29 CO 0.60 0.46 -0.20 -0.69 0.00 0.00 0.00 175.10 175.28 2fls s VAL 30 N 0.81 1.72 -0.34 2.92 1.01 -0.36 -0.47 120.40 125.69 2fls s VAL 30 Ca -0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2fls s VAL 30 Cb -0.15 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.77 2fls s VAL 30 CO 0.02 0.49 0.10 -0.63 0.00 0.00 0.00 175.10 175.08 2fls s ILE 31 N 0.45 3.66 -0.21 2.22 1.01 0.77 -1.23 121.20 127.87 2fls s ILE 31 Ca -0.17 -1.24 -0.27 0.00 0.00 0.00 0.00 60.65 58.97 2fls s ILE 31 Cb -0.17 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 2fls s ILE 31 CO 0.07 -0.22 0.93 -0.36 0.00 0.00 0.00 174.94 175.37 2fls s PHE 32 N 1.37 3.36 0.24 3.97 0.08 -0.33 -1.51 117.98 125.15 2fls s PHE 32 Ca -0.01 1.33 0.01 0.00 0.12 0.00 0.00 56.93 58.37 2fls s PHE 32 Cb -0.20 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.06 2fls s PHE 32 CO 0.02 -0.39 0.10 0.45 -0.10 0.00 0.00 175.22 175.29 2fls s SER 33 N 1.23 0.94 0.06 1.36 0.15 0.45 -1.89 113.70 116.01 2fls s SER 33 Ca 0.40 -1.37 0.07 0.00 0.70 0.00 0.00 55.95 55.75 2fls s SER 33 Cb -0.16 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.34 2fls s SER 33 CO 0.08 -0.75 -0.19 -0.54 1.20 0.00 0.00 173.24 173.05 2fls s LYS 34 N -4.06 1.15 0.45 5.44 1.02 -1.26 0.21 119.74 122.68 2fls s LYS 34 Ca 0.37 -0.97 0.21 0.00 0.02 0.00 0.00 55.97 55.61 2fls s LYS 34 Cb 0.08 -1.27 1.05 0.00 -0.52 0.00 0.00 37.83 37.16 2fls s LYS 34 CO 0.12 0.31 1.92 1.79 -0.92 0.00 0.00 175.35 178.57 2fls h THR 35 N 4.30 0.81 -0.84 2.17 1.35 -1.97 -2.45 112.91 116.29 2fls h THR 35 Ca -0.42 -0.97 -0.59 0.00 -0.55 0.00 0.00 66.41 63.88 2fls h THR 35 Cb 1.17 1.59 -0.39 0.00 -1.73 0.00 0.00 68.15 68.79 2fls h THR 35 CO 0.42 0.24 -0.36 -1.54 -0.25 0.00 0.00 175.52 174.03 2fls n SER 36 N -3.73 5.68 -4.50 5.36 3.41 -1.26 -4.99 113.62 113.59 2fls n SER 36 Ca -0.01 -3.76 -0.37 0.00 -0.26 0.00 0.00 58.87 54.47 2fls n SER 36 Cb 0.35 -0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 63.67 2fls n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fls h SER 38 N 8.16 0.50 -0.62 0.00 4.64 -1.94 -2.00 113.55 122.29 2fls h SER 38 Ca -0.37 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2fls h SER 38 Cb 1.18 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2fls h SER 38 CO 0.58 0.69 0.37 1.88 -0.87 0.00 0.00 176.83 179.48 2fls h TYR 39 N 0.46 0.82 -0.15 4.77 0.05 -1.94 -1.62 116.97 119.36 2fls h TYR 39 Ca 0.08 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.72 2fls h TYR 39 Cb 0.56 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2fls h TYR 39 CO 0.02 0.55 -0.46 0.00 -1.05 0.00 0.00 178.16 177.22 2fls h THR 41 N 0.23 0.97 -0.77 0.00 2.02 -1.25 -0.79 112.91 113.32 2fls h THR 41 Ca -0.01 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2fls h THR 41 Cb 1.08 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2fls h THR 41 CO 0.10 0.11 0.39 0.00 0.37 0.00 0.00 175.52 176.48 2fls h MET 42 N 0.59 1.09 -0.34 6.66 3.00 -1.18 -0.70 114.93 124.04 2fls h MET 42 Ca 0.25 -0.14 -0.17 0.00 0.00 0.00 0.00 59.70 59.64 2fls h MET 42 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 31.60 31.53 2fls h MET 42 CO -0.16 0.82 -0.44 0.00 0.00 0.00 0.00 176.91 177.13 2fls h ALA 43 N 1.34 0.51 -0.40 -3.00 0.00 -0.76 -1.53 119.26 115.43 2fls h ALA 43 Ca 0.27 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2fls h ALA 43 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2fls h ALA 43 CO -0.04 0.66 0.21 0.87 0.00 0.00 0.00 179.25 180.95 2fls h LYS 44 N 0.70 0.42 -0.75 0.00 1.57 -1.01 -2.51 116.57 114.99 2fls h LYS 44 Ca 0.04 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2fls h LYS 44 Cb 1.04 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 2fls h LYS 44 CO 0.10 0.28 0.46 0.87 -0.57 0.00 0.00 179.45 180.60 2fls h LYS 45 N 0.43 0.86 0.08 3.15 1.57 -0.96 -0.24 116.57 121.47 2fls h LYS 45 Ca 0.17 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2fls h LYS 45 Cb 0.05 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2fls h LYS 45 CO -0.10 0.57 -0.04 1.25 -0.57 0.00 0.00 179.45 180.56 2fls h LEU 46 N 0.88 -0.09 -0.44 2.94 6.46 -1.04 0.14 115.31 124.16 2fls h LEU 46 Ca 0.31 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.97 2fls h LEU 46 Cb 0.08 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2fls h LEU 46 CO -0.14 -0.01 0.05 -0.26 -0.62 0.00 0.00 178.44 177.46 2fls h PHE 47 N -0.16 0.80 -0.60 1.25 0.04 -1.25 -1.91 116.94 115.11 2fls h PHE 47 Ca -0.01 -0.12 0.08 0.00 2.80 0.00 0.00 57.97 60.72 2fls h PHE 47 Cb 0.13 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.00 2fls h PHE 47 CO -0.06 0.77 0.25 1.25 -0.60 0.00 0.00 178.31 179.92 2fls h HIS 48 N 0.61 0.44 0.00 -0.55 2.76 -0.97 -1.94 115.15 115.49 2fls h HIS 48 Ca 0.13 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2fls h HIS 48 Cb 0.41 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2fls h HIS 48 CO 0.03 0.14 0.00 -0.44 -1.30 0.00 0.00 177.93 176.36 2fls h ASP 49 N 0.45 0.00 0.28 3.26 3.32 -0.44 -1.98 116.42 121.32 2fls h ASP 49 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2fls h ASP 49 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2fls h ASP 49 CO -0.27 0.00 -0.19 0.23 -1.72 0.00 0.00 179.24 177.29 2fls n MET 50 N -3.09 0.80 -2.67 3.56 2.81 -0.74 -4.96 117.12 112.82 2fls n MET 50 Ca 0.01 -0.40 -0.18 0.00 -1.81 0.00 0.00 57.70 55.32 2fls n MET 50 Cb 0.31 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.34 2fls n MET 50 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2fls n ASN 51 N -0.75 -5.19 -4.53 7.83 3.02 -0.74 -5.00 115.26 109.90 2fls n ASN 51 Ca 0.13 -0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.17 2fls n ASN 51 Cb 0.32 -4.12 -0.11 0.00 -0.61 0.00 0.00 39.78 35.25 2fls n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2fls s VAL 52 N -2.98 4.61 0.17 2.41 1.01 -0.79 -5.04 120.40 119.78 2fls s VAL 52 Ca 0.16 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2fls s VAL 52 Cb -0.07 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 2fls s VAL 52 CO 0.19 0.36 1.35 0.20 0.00 0.00 0.00 175.10 177.21 2fls s ASN 53 N 1.24 6.84 0.14 3.32 0.01 -1.26 -4.28 114.94 120.95 2fls s ASN 53 Ca 0.05 2.40 0.07 0.00 -0.71 0.00 0.00 52.86 54.67 2fls s ASN 53 Cb -0.14 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 2fls s ASN 53 CO 0.04 -0.59 -0.15 -0.72 -1.51 0.00 0.00 177.10 174.16 2fls s TYR 54 N 0.47 1.54 -0.19 2.20 1.13 -1.26 -4.25 117.35 116.99 2fls s TYR 54 Ca 0.60 -0.53 -0.12 0.00 -1.41 0.00 0.00 57.07 55.61 2fls s TYR 54 Cb -0.37 -0.79 -0.05 0.00 -1.10 0.00 0.00 41.96 39.65 2fls s TYR 54 CO 0.36 0.20 0.21 0.21 -2.51 0.00 0.00 175.55 174.02 2fls s LYS 55 N -2.74 4.20 -0.17 -3.49 2.47 0.38 -5.01 119.74 115.38 2fls s LYS 55 Ca 0.11 -0.09 -0.07 0.00 -1.56 0.00 0.00 55.97 54.37 2fls s LYS 55 Cb -0.05 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 2fls s LYS 55 CO 0.04 0.23 0.05 0.08 0.16 0.00 0.00 175.35 175.90 2fls s VAL 56 N 0.55 4.66 -0.28 4.02 1.01 -1.26 -0.16 120.40 128.93 2fls s VAL 56 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2fls s VAL 56 Cb -0.12 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.21 2fls s VAL 56 CO 0.01 0.48 -0.01 -0.69 0.00 0.00 0.00 175.10 174.89 2fls s VAL 57 N 0.24 3.10 -0.63 2.92 1.01 -0.57 -4.97 120.40 121.51 2fls s VAL 57 Ca 0.03 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 2fls s VAL 57 Cb -0.12 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.64 2fls s VAL 57 CO 0.01 0.04 0.96 -1.61 0.00 0.00 0.00 175.10 174.50 2fls s GLU 58 N 1.32 3.18 0.36 2.72 0.41 -1.26 -0.41 118.70 125.02 2fls s GLU 58 Ca -0.02 -0.64 0.06 0.00 -0.41 0.00 0.00 54.97 53.96 2fls s GLU 58 Cb -0.18 -4.17 0.70 0.00 -1.78 0.00 0.00 34.13 28.70 2fls s GLU 58 CO -0.02 -1.72 1.93 -0.07 -0.49 0.00 0.00 175.26 174.89 2fls h LEU 59 N 11.28 0.45 -1.12 1.80 3.38 -0.62 -1.93 115.31 128.54 2fls h LEU 59 Ca -0.28 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2fls h LEU 59 Cb 1.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2fls h LEU 59 CO 1.15 0.48 0.00 -2.24 0.09 0.00 0.00 178.44 177.92 2fls h ASP 60 N 0.48 0.00 0.00 -0.43 2.03 -1.92 -2.80 116.42 113.79 2fls h ASP 60 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 2fls h ASP 60 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2fls h ASP 60 CO 0.00 0.00 -1.49 0.18 -1.03 0.00 0.00 179.24 176.90 2fls n LEU 61 N -2.39 0.43 -4.76 0.15 4.77 -0.74 -4.94 117.00 109.53 2fls n LEU 61 Ca 0.01 -0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 55.37 2fls n LEU 61 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2fls n LEU 61 CO 0.18 0.11 0.68 -0.76 -1.33 0.00 0.00 177.39 176.26 2fls s LEU 62 N -3.75 4.54 0.26 2.23 1.43 -1.05 -4.97 118.68 117.36 2fls s LEU 62 Ca -0.01 1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 2fls s LEU 62 Cb 0.14 -3.73 0.36 0.00 0.03 0.00 0.00 46.19 42.99 2fls s LEU 62 CO 0.84 0.03 1.89 -0.08 0.23 0.00 0.00 176.35 179.25 2fls h GLU 63 N 3.79 1.15 -0.75 1.70 4.81 -1.92 -2.69 114.58 120.67 2fls h GLU 63 Ca -0.46 -0.07 -0.52 0.00 -0.13 0.00 0.00 59.36 58.19 2fls h GLU 63 Cb 1.20 -0.26 -0.32 0.00 0.63 0.00 0.00 28.75 30.00 2fls h GLU 63 CO 0.67 0.76 -0.12 0.66 -0.73 0.00 0.00 179.01 180.25 2fls n TYR 64 N -4.50 2.57 0.26 0.92 4.01 -1.26 -4.76 117.16 114.40 2fls n TYR 64 Ca 0.14 -2.35 0.09 0.00 -0.16 0.00 0.00 57.90 55.62 2fls n TYR 64 Cb 0.14 -0.73 0.66 0.00 -0.31 0.00 0.00 39.34 39.11 2fls n TYR 64 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2fls h GLY 65 N 1.86 0.00 0.91 2.72 0.00 -1.62 -1.74 103.07 105.21 2fls h GLY 65 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2fls h GLY 65 CO 0.95 0.00 0.10 3.45 0.00 0.00 0.00 176.54 181.04 2fls h ASN 66 N 0.00 0.27 -0.96 0.19 -1.07 -1.85 0.15 115.58 112.31 2fls h ASN 66 Ca -0.00 -0.13 0.07 0.00 0.07 0.00 0.00 56.30 56.31 2fls h ASN 66 Cb 0.05 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.17 2fls h ASN 66 CO 0.00 0.33 0.62 1.56 0.07 0.00 0.00 177.43 180.01 2fls h GLN 67 N 0.20 1.07 -0.52 4.14 4.20 -1.73 -0.04 115.11 122.43 2fls h GLN 67 Ca 0.07 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2fls h GLN 67 Cb 0.13 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2fls h GLN 67 CO -0.01 0.71 0.29 0.74 -0.67 0.00 0.00 178.83 179.89 2fls h PHE 68 N 1.10 0.71 -0.50 2.96 0.04 -1.10 -1.22 116.94 118.93 2fls h PHE 68 Ca 0.42 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 61.11 2fls h PHE 68 Cb 0.20 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 2fls h PHE 68 CO -0.00 0.52 0.06 0.37 -0.60 0.00 0.00 178.31 178.65 2fls h GLN 69 N 0.69 0.80 -0.35 1.51 4.15 -0.29 -0.41 115.11 121.20 2fls h GLN 69 Ca 0.18 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2fls h GLN 69 Cb 0.04 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2fls h GLN 69 CO -0.03 0.76 0.19 -0.44 -1.93 0.00 0.00 178.83 177.39 2fls h ASP 70 N 0.76 0.44 -0.28 -0.69 3.32 -0.73 -0.74 116.42 118.50 2fls h ASP 70 Ca 0.16 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 2fls h ASP 70 Cb 0.38 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2fls h ASP 70 CO 0.01 0.40 -0.22 0.00 -1.72 0.00 0.00 179.24 177.71 2fls h ALA 71 N 1.06 0.89 -0.49 3.45 0.00 -0.98 -2.01 119.26 121.18 2fls h ALA 71 Ca 0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2fls h ALA 71 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2fls h ALA 71 CO -0.02 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.84 2fls h LEU 72 N 0.66 0.73 -0.49 0.00 3.38 -0.88 -0.90 115.31 117.81 2fls h LEU 72 Ca 0.09 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2fls h LEU 72 Cb 0.72 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2fls h LEU 72 CO 0.06 0.76 0.27 0.22 0.09 0.00 0.00 178.44 179.84 2fls h TYR 73 N 0.73 0.50 -0.33 1.13 3.20 -0.70 -0.46 116.97 121.04 2fls h TYR 73 Ca 0.15 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 2fls h TYR 73 Cb 0.37 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2fls h TYR 73 CO 0.02 0.27 -0.26 0.87 -1.64 0.00 0.00 178.16 177.42 2fls h LYS 74 N 0.53 0.67 -0.12 1.82 1.79 -0.92 0.23 116.57 120.58 2fls h LYS 74 Ca 0.21 -0.28 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 2fls h LYS 74 Cb 0.08 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2fls h LYS 74 CO -0.12 0.86 -0.40 0.52 -1.08 0.00 0.00 179.45 179.23 2fls h MET 75 N 0.58 0.48 0.00 3.15 2.86 -1.07 -3.40 114.93 117.53 2fls h MET 75 Ca 0.08 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2fls h MET 75 Cb 0.74 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2fls h MET 75 CO 0.06 0.98 -1.19 0.25 1.06 0.00 0.00 176.91 178.07 2fls n THR 76 N -4.31 0.00 0.00 2.22 -2.24 -0.19 -5.02 114.28 104.74 2fls n THR 76 Ca -0.07 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2fls n THR 76 Cb 0.54 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2fls n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fls n GLY 77 N 1.75 0.05 3.21 3.38 0.00 0.79 -5.04 105.19 109.33 2fls n GLY 77 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2fls n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fls s GLU 78 N -0.98 0.72 0.00 1.61 0.41 -1.25 -5.01 118.70 114.21 2fls s GLU 78 Ca 0.00 -0.54 0.18 0.00 -0.41 0.00 0.00 54.97 54.20 2fls s GLU 78 Cb 0.00 0.31 0.10 0.00 -1.78 0.00 0.00 34.13 32.76 2fls s GLU 78 CO 0.00 -0.22 1.03 2.89 -0.49 0.00 0.00 175.26 178.47 2fls n ARG 79 N 0.73 1.57 -2.05 1.61 1.85 -1.26 -3.41 116.66 115.70 2fls n ARG 79 Ca -0.19 -1.38 -0.34 0.00 -1.00 0.00 0.00 57.85 54.94 2fls n ARG 79 Cb 0.59 -1.34 0.02 0.00 -1.05 0.00 0.00 32.46 30.67 2fls n ARG 79 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2fls s THR 80 N -1.68 3.29 0.05 8.89 -4.23 -1.26 -4.91 115.64 115.80 2fls s THR 80 Ca 0.19 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 2fls s THR 80 Cb 0.15 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2fls s THR 80 CO 0.29 -0.28 0.19 0.68 -0.54 0.00 0.00 174.62 174.97 2fls s VAL 81 N -2.08 5.29 0.48 2.29 -7.23 -1.26 -4.01 120.40 113.88 2fls s VAL 81 Ca 0.69 -0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 60.26 2fls s VAL 81 Cb -0.21 -3.56 -0.09 0.00 0.56 0.00 0.00 36.38 33.07 2fls s VAL 81 CO 0.33 0.16 1.01 -2.16 -0.31 0.00 0.00 175.10 174.13 2fls s PRO 82 N -2.42 3.92 -0.23 4.82 0.04 -1.26 -4.74 135.00 135.13 2fls s PRO 82 Ca 0.33 1.24 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2fls s PRO 82 Cb -0.13 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2fls s PRO 82 CO 0.26 -0.31 -0.01 1.03 0.04 0.00 0.00 177.00 178.00 2fls s ARG 83 N -3.33 3.42 -0.11 4.56 1.81 -0.79 -4.17 118.95 120.33 2fls s ARG 83 Ca 0.65 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 54.07 2fls s ARG 83 Cb -0.13 -3.10 -0.01 0.00 -0.45 0.00 0.00 34.95 31.26 2fls s ARG 83 CO 0.20 -0.21 -0.19 0.42 -0.68 0.00 0.00 175.30 174.83 2fls s ILE 84 N 1.51 2.51 -0.03 1.52 1.01 -0.68 -1.19 121.20 125.86 2fls s ILE 84 Ca 0.06 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.92 2fls s ILE 84 Cb -0.15 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2fls s ILE 84 CO -0.02 0.54 -0.24 -0.36 0.00 0.00 0.00 174.94 174.87 2fls s PHE 85 N 0.34 2.21 -0.05 3.97 0.08 -0.36 -0.26 117.98 123.91 2fls s PHE 85 Ca -0.15 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.42 2fls s PHE 85 Cb -0.17 -1.43 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2fls s PHE 85 CO 0.07 -0.08 -0.02 0.08 -0.10 0.00 0.00 175.22 175.18 2fls s VAL 86 N -0.47 0.39 -1.59 -0.44 1.01 0.11 -1.22 120.40 118.18 2fls s VAL 86 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2fls s VAL 86 Cb -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2fls s VAL 86 CO 0.00 0.22 0.28 -3.20 0.00 0.00 0.00 175.10 172.40 2fls n ASN 87 N 4.52 -5.68 0.00 3.32 5.15 -0.38 -1.51 115.26 120.67 2fls n ASN 87 Ca -0.18 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2fls n ASN 87 Cb 0.50 -4.68 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 2fls n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fls n GLY 88 N -1.22 0.65 3.47 8.20 0.00 -1.24 -5.02 105.19 110.03 2fls n GLY 88 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2fls n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fls s THR 89 N -2.66 3.78 0.01 2.61 2.01 -0.57 -4.98 115.64 115.85 2fls s THR 89 Ca 0.00 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2fls s THR 89 Cb 0.00 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.79 2fls s THR 89 CO 0.00 0.49 1.57 0.12 -0.69 0.00 0.00 174.62 176.11 2fls s PHE 90 N 0.42 2.44 -0.13 4.92 5.36 -1.26 -0.71 117.98 129.02 2fls s PHE 90 Ca -0.04 0.44 0.16 0.00 -0.96 0.00 0.00 56.93 56.53 2fls s PHE 90 Cb -0.14 -3.85 -0.24 0.00 -0.34 0.00 0.00 43.02 38.44 2fls s PHE 90 CO 0.03 -3.41 0.40 0.44 -1.46 0.00 0.00 175.22 171.23 2fls n ILE 91 N 4.92 0.00 0.00 3.12 -5.35 0.64 -4.96 119.36 117.73 2fls n ILE 91 Ca 0.15 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2fls n ILE 91 Cb 0.42 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 2fls n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fls n GLY 92 N 1.55 0.82 0.00 3.28 0.00 -1.24 -4.62 105.19 104.98 2fls n GLY 92 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2fls n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fls n GLY 93 N 0.00 0.87 0.15 -0.02 0.00 -1.26 -1.68 105.19 103.24 2fls n GLY 93 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2fls n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fls h ALA 94 N -1.40 0.33 -0.50 4.61 0.00 -1.85 -1.74 119.26 118.72 2fls h ALA 94 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2fls h ALA 94 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2fls h ALA 94 CO 0.00 0.00 0.32 1.15 0.00 0.00 0.00 179.25 180.72 2fls h THR 95 N 0.22 1.10 -0.21 0.00 2.02 -1.95 -1.54 112.91 112.54 2fls h THR 95 Ca 0.08 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2fls h THR 95 Cb 0.32 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2fls h THR 95 CO 0.00 0.12 0.11 0.44 0.37 0.00 0.00 175.52 176.56 2fls h ASP 96 N 0.64 0.27 -0.79 4.18 3.32 -1.90 -2.12 116.42 120.03 2fls h ASP 96 Ca 0.19 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.19 2fls h ASP 96 Cb -0.04 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 2fls h ASP 96 CO -0.06 0.30 0.47 0.74 -1.72 0.00 0.00 179.24 178.97 2fls h THR 97 N 0.22 1.02 -0.66 0.35 2.02 -1.10 0.60 112.91 115.36 2fls h THR 97 Ca 0.07 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2fls h THR 97 Cb 0.10 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2fls h THR 97 CO -0.01 0.16 0.20 -0.74 0.37 0.00 0.00 175.52 175.49 2fls h HIS 98 N 0.86 1.08 -0.11 3.16 -0.00 -1.14 -0.05 115.15 118.95 2fls h HIS 98 Ca 0.35 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 2fls h HIS 98 Cb 0.17 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2fls h HIS 98 CO -0.05 0.87 0.06 -0.09 -0.00 0.00 0.00 177.93 178.73 2fls h ARG 99 N 0.97 0.15 -0.65 5.26 2.43 -0.87 0.00 114.38 121.67 2fls h ARG 99 Ca 0.21 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2fls h ARG 99 Cb 0.31 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2fls h ARG 99 CO -0.00 0.16 0.30 -0.07 -1.51 0.00 0.00 179.97 178.84 2fls h LEU 100 N 0.10 0.85 -0.13 3.80 3.38 -0.70 -1.50 115.31 121.11 2fls h LEU 100 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2fls h LEU 100 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2fls h LEU 100 CO -0.01 0.74 0.01 -0.74 0.09 0.00 0.00 178.44 178.53 2fls h HIS 101 N 0.93 0.24 -0.61 1.13 2.76 -0.82 -1.02 115.15 117.76 2fls h HIS 101 Ca 0.23 -0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.49 2fls h HIS 101 Cb 0.13 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2fls h HIS 101 CO 0.01 0.45 0.42 -0.22 -1.30 0.00 0.00 177.93 177.28 2fls h LYS 102 N -0.03 0.24 0.00 5.26 3.11 -0.66 -1.64 116.57 122.86 2fls h LYS 102 Ca 0.04 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2fls h LYS 102 Cb 0.34 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2fls h LYS 102 CO 0.01 0.16 -0.38 0.39 -2.81 0.00 0.00 179.45 176.82 2fls n GLU 103 N -4.44 0.09 -1.00 1.90 1.02 -0.59 -4.96 120.64 112.66 2fls n GLU 103 Ca 0.11 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2fls n GLU 103 Cb 0.51 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2fls n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fls n GLY 104 N 1.44 0.39 0.11 0.62 0.00 -0.62 -4.95 105.19 102.19 2fls n GLY 104 Ca 0.05 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.10 2fls n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fls h LYS 105 N 0.00 0.00 0.09 1.61 1.57 -1.45 -3.42 116.57 114.97 2fls h LYS 105 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2fls h LYS 105 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2fls h LYS 105 CO 0.00 0.00 -1.11 1.25 -0.57 0.00 0.00 179.45 179.02 2fls h LEU 106 N 0.00 0.30 -0.90 2.94 5.85 -1.86 -3.32 115.31 118.33 2fls h LEU 106 Ca 0.00 -0.85 -0.08 0.00 0.84 0.00 0.00 57.88 57.79 2fls h LEU 106 Cb 0.96 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2fls h LEU 106 CO 0.00 1.49 -0.07 0.25 -0.34 0.00 0.00 178.44 179.77 2fls h LEU 107 N -0.49 0.72 -1.26 2.25 5.85 -1.90 -2.07 115.31 118.41 2fls h LEU 107 Ca -0.24 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.36 2fls h LEU 107 Cb 1.59 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 2fls h LEU 107 CO 0.04 0.83 0.54 -0.65 -0.34 0.00 0.00 178.44 178.86 2fls h PRO 108 N 0.69 0.85 -0.66 5.25 0.11 -1.81 -0.24 132.00 136.17 2fls h PRO 108 Ca 0.13 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 2fls h PRO 108 Cb 0.52 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 2fls h PRO 108 CO 0.03 0.56 0.19 -0.07 -0.21 0.00 0.00 178.00 178.50 2fls h LEU 109 N 0.87 0.98 -0.62 2.35 3.38 -1.51 -1.46 115.31 119.31 2fls h LEU 109 Ca 0.36 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2fls h LEU 109 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2fls h LEU 109 CO -0.13 0.94 0.25 0.58 0.09 0.00 0.00 178.44 180.17 2fls h VAL 110 N 0.97 1.23 -0.44 1.22 2.07 -0.86 -2.97 116.25 117.46 2fls h VAL 110 Ca 0.21 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 2fls h VAL 110 Cb 0.32 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2fls h VAL 110 CO -0.00 0.28 -0.12 0.45 0.02 0.00 0.00 177.57 178.20 2fls h HIS 111 N 0.86 0.89 -1.00 1.57 3.86 -0.94 -2.65 115.15 117.74 2fls h HIS 111 Ca 0.21 -0.17 0.22 0.00 -1.16 0.00 0.00 60.37 59.47 2fls h HIS 111 Cb 0.19 -0.23 -0.10 0.00 1.06 0.00 0.00 27.41 28.33 2fls h HIS 111 CO 0.01 0.88 0.62 1.96 0.86 0.00 0.00 177.93 182.26 2fls h GLN 112 N 0.73 0.57 -0.54 2.45 4.20 -1.11 -1.83 115.11 119.59 2fls h GLN 112 Ca 0.12 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.90 2fls h GLN 112 Cb 0.61 -0.13 -0.10 0.00 0.30 0.00 0.00 27.48 28.16 2fls h GLN 112 CO 0.04 0.38 -0.12 0.00 -0.67 0.00 0.00 178.83 178.46 2fls h TYR 114 N 0.01 0.25 0.00 0.00 0.05 -1.57 -3.50 116.97 112.21 2fls h TYR 114 Ca 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2fls h TYR 114 Cb 0.40 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2fls h TYR 114 CO -0.44 1.02 0.00 1.28 -1.05 0.00 0.00 178.16 178.97