#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l7h h LYS 10 N 0.00 0.16 0.05 1.96 6.56 -2.04 -2.61 116.57 120.65 3l7h h LYS 10 Ca 0.00 -0.10 -0.23 0.00 -1.06 0.00 0.00 60.65 59.26 3l7h h LYS 10 Cb 0.00 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3l7h h LYS 10 CO 0.00 0.67 -1.04 0.07 -2.06 0.00 0.00 179.45 177.10 3l7h h ARG 11 N 0.12 0.23 -0.62 3.15 0.11 -2.04 -2.59 114.38 112.74 3l7h h ARG 11 Ca -0.00 -0.32 0.07 0.00 0.10 0.00 0.00 59.98 59.83 3l7h h ARG 11 Cb 1.02 0.11 -0.06 0.00 1.11 0.00 0.00 29.97 32.15 3l7h h ARG 11 CO 0.08 1.08 0.31 0.82 0.10 0.00 0.00 179.97 182.36 3l7h h ILE 12 N 0.10 0.90 0.00 0.08 2.04 -1.97 -3.03 117.51 115.62 3l7h h ILE 12 Ca -0.08 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 3l7h h ILE 12 Cb 1.72 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3l7h h ILE 12 CO 0.16 0.10 -0.37 1.56 0.00 0.00 0.00 178.15 179.61 3l7h h GLN 13 N 0.56 0.00 -0.68 2.37 4.20 -1.21 -2.91 115.11 117.43 3l7h h GLN 13 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3l7h h GLN 13 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3l7h h GLN 13 CO -0.22 0.37 0.00 -1.13 -0.67 0.00 0.00 178.83 177.18 3l7h n SER 14 N -3.74 4.49 -4.73 1.46 3.41 -1.00 -4.80 113.62 108.72 3l7h n SER 14 Ca -0.01 -2.31 -0.41 0.00 -0.26 0.00 0.00 58.87 55.88 3l7h n SER 14 Cb 0.45 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3l7h n SER 14 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3l7h s HIS 15 N -1.60 3.76 0.26 7.33 5.04 -1.10 -5.03 115.29 123.95 3l7h s HIS 15 Ca 0.50 1.70 -0.28 0.00 -1.54 0.00 0.00 55.06 55.45 3l7h s HIS 15 Cb 0.31 -3.02 -0.15 0.00 0.04 0.00 0.00 32.58 29.76 3l7h s HIS 15 CO 0.27 0.17 0.81 1.63 -2.34 0.00 0.00 174.74 175.29 3l7h n LYS 16 N 3.05 0.83 0.00 2.88 5.02 -1.26 -2.21 118.16 126.46 3l7h n LYS 16 Ca 0.02 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3l7h n LYS 16 Cb 0.50 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3l7h n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3l7h n GLY 17 N 1.52 2.77 3.68 0.72 0.00 -1.26 -4.91 105.19 107.71 3l7h n GLY 17 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3l7h n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3l7h s VAL 18 N -2.11 4.48 -0.45 1.61 1.01 -0.94 -0.71 120.40 123.29 3l7h s VAL 18 Ca 0.00 1.78 0.13 0.00 0.00 0.00 0.00 61.98 63.90 3l7h s VAL 18 Cb 0.00 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.07 3l7h s VAL 18 CO 0.00 -0.06 0.49 0.52 0.00 0.00 0.00 175.10 176.05 3l7h n VAL 19 N 4.87 0.00 -3.61 2.92 0.31 0.11 -4.95 118.33 117.99 3l7h n VAL 19 Ca 0.11 -0.22 -0.06 0.00 -0.01 0.00 0.00 64.34 64.15 3l7h n VAL 19 Cb 0.47 0.76 -0.04 0.00 -0.91 0.00 0.00 33.84 34.11 3l7h n VAL 19 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3l7h s GLY 20 N -2.66 -0.12 -0.03 2.92 0.00 -1.08 -4.98 107.32 101.38 3l7h s GLY 20 Ca 0.02 2.33 -0.12 0.00 0.00 0.00 0.00 44.72 46.95 3l7h s GLY 20 CO 0.56 1.02 0.26 -0.51 0.00 0.00 0.00 173.10 174.43 3l7h s THR 21 N -1.19 0.05 -0.03 0.90 -4.23 -1.26 -0.93 115.64 108.96 3l7h s THR 21 Ca 0.04 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3l7h s THR 21 Cb -0.01 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.31 3l7h s THR 21 CO -0.03 -0.24 0.07 -0.63 -0.54 0.00 0.00 174.62 173.25 3l7h s ILE 22 N -1.03 -0.00 -0.16 2.99 1.01 0.11 -1.77 121.20 122.35 3l7h s ILE 22 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3l7h s ILE 22 Cb -0.05 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3l7h s ILE 22 CO 0.03 0.00 -0.16 -0.69 0.00 0.00 0.00 174.94 174.12 3l7h s VAL 23 N 0.04 2.60 -0.09 2.92 1.01 0.21 -1.16 120.40 125.94 3l7h s VAL 23 Ca -0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3l7h s VAL 23 Cb -0.01 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3l7h s VAL 23 CO 0.00 0.51 -0.24 -0.69 0.00 0.00 0.00 175.10 174.68 3l7h s VAL 24 N 0.90 2.05 1.12 2.92 1.01 -0.72 0.67 120.40 128.35 3l7h s VAL 24 Ca -0.04 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 3l7h s VAL 24 Cb -0.15 -1.76 0.25 0.00 0.00 0.00 0.00 36.38 34.72 3l7h s VAL 24 CO -0.02 0.56 1.10 0.54 0.00 0.00 0.00 175.10 177.29 3l7h s ASN 25 N 0.18 1.57 0.43 3.32 2.20 -0.30 -0.40 114.94 121.94 3l7h s ASN 25 Ca -0.14 0.85 0.30 0.00 -0.94 0.00 0.00 52.86 52.93 3l7h s ASN 25 Cb -0.17 -1.27 1.25 0.00 -2.00 0.00 0.00 41.25 39.06 3l7h s ASN 25 CO 0.07 -3.74 1.88 -0.55 -2.94 0.00 0.00 177.10 171.82 3l7h h ASN 26 N -2.32 0.00 0.01 3.54 7.08 -1.86 -0.61 115.58 121.42 3l7h h ASN 26 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 3l7h h ASN 26 Cb 1.31 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.55 3l7h h ASN 26 CO 0.44 0.00 -0.01 -0.62 -2.08 0.00 0.00 177.43 175.16 3l7h n GLU 27 N -2.71 1.50 -0.56 4.14 1.02 -1.26 -4.95 120.64 117.82 3l7h n GLU 27 Ca 0.01 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 3l7h n GLU 27 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3l7h n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3l7h n GLY 28 N 1.16 0.77 3.70 0.62 0.00 -0.24 -5.06 105.19 106.14 3l7h n GLY 28 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3l7h n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3l7h s ILE 29 N -2.96 5.11 0.07 -0.61 1.01 -1.26 -4.82 121.20 117.74 3l7h s ILE 29 Ca 0.00 1.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.45 3l7h s ILE 29 Cb 0.00 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 3l7h s ILE 29 CO 0.00 0.23 1.67 -2.84 0.00 0.00 0.00 174.94 174.00 3l7h s PRO 30 N 1.14 4.19 -0.16 2.79 0.02 -1.26 -1.14 135.00 140.58 3l7h s PRO 30 Ca 0.29 2.35 0.18 0.00 0.02 0.00 0.00 61.00 63.83 3l7h s PRO 30 Cb -0.16 -3.61 -0.25 0.00 0.02 0.00 0.00 34.50 30.50 3l7h s PRO 30 CO 0.12 -0.74 0.20 1.33 -0.33 0.00 0.00 177.00 177.58 3l7h n VAL 31 N 4.74 1.27 -3.81 3.83 0.24 0.21 -4.90 118.33 119.91 3l7h n VAL 31 Ca 0.16 -0.81 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 3l7h n VAL 31 Cb 0.40 -0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 32.18 3l7h n VAL 31 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3l7h s LYS 32 N -2.62 0.43 -0.12 7.34 1.02 -1.09 -4.98 119.74 119.72 3l7h s LYS 32 Ca -0.09 -0.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 3l7h s LYS 32 Cb 0.07 0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.60 3l7h s LYS 32 CO 0.84 -0.09 0.33 0.45 -0.92 0.00 0.00 175.35 175.96 3l7h s SER 33 N -0.70 -0.34 0.00 2.83 0.15 -1.26 0.65 113.70 115.02 3l7h s SER 33 Ca -0.08 0.63 0.27 0.00 0.70 0.00 0.00 55.95 57.48 3l7h s SER 33 Cb -0.04 0.66 1.15 0.00 -1.71 0.00 0.00 66.02 66.08 3l7h s SER 33 CO 0.02 -0.14 1.80 0.35 1.20 0.00 0.00 173.24 176.46 3l7h n THR 34 N 2.78 0.04 -3.68 6.45 -2.24 -0.73 -4.95 114.28 111.95 3l7h n THR 34 Ca -0.14 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.20 3l7h n THR 34 Cb 0.58 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 3l7h n THR 34 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3l7h s LEU 35 N -1.90 3.06 0.72 3.22 1.43 -1.26 -4.93 118.68 119.02 3l7h s LEU 35 Ca 0.38 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3l7h s LEU 35 Cb 0.20 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.84 3l7h s LEU 35 CO 0.32 -0.91 1.10 1.51 0.23 0.00 0.00 176.35 178.61 3l7h s ASP 36 N -4.23 5.26 0.13 2.29 3.84 -1.26 -4.74 116.67 117.95 3l7h s ASP 36 Ca 0.43 1.16 -0.17 0.00 -0.00 0.00 0.00 52.55 53.97 3l7h s ASP 36 Cb -0.03 -1.94 -0.03 0.00 -1.38 0.00 0.00 42.92 39.55 3l7h s ASP 36 CO 0.26 -1.46 1.71 -1.13 -0.00 0.00 0.00 175.17 174.55 3l7h h ASN 37 N -0.74 0.42 0.01 2.11 -1.24 -1.98 0.88 115.58 115.04 3l7h h ASN 37 Ca -0.45 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.45 3l7h h ASN 37 Cb 1.26 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 3l7h h ASN 37 CO 0.63 0.42 -0.03 0.74 -1.29 0.00 0.00 177.43 177.90 3l7h h THR 38 N 0.40 0.93 -0.57 -3.57 2.02 -2.00 0.30 112.91 110.42 3l7h h THR 38 Ca 0.11 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3l7h h THR 38 Cb 0.10 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3l7h h THR 38 CO -0.02 0.00 0.34 0.74 0.37 0.00 0.00 175.52 176.96 3l7h h THR 39 N -0.05 1.05 -0.21 3.16 2.02 -1.92 -2.34 112.91 114.61 3l7h h THR 39 Ca 0.01 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.98 3l7h h THR 39 Cb 0.06 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3l7h h THR 39 CO -0.02 0.12 0.07 0.74 0.37 0.00 0.00 175.52 176.80 3l7h h THR 40 N 0.67 0.94 -0.62 3.16 2.02 -0.48 -1.88 112.91 116.72 3l7h h THR 40 Ca 0.23 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.44 3l7h h THR 40 Cb 0.04 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 3l7h h THR 40 CO -0.11 0.03 0.29 0.58 0.37 0.00 0.00 175.52 176.68 3l7h h VAL 41 N 0.17 0.86 0.17 3.16 2.07 -0.66 -1.22 116.25 120.79 3l7h h VAL 41 Ca 0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3l7h h VAL 41 Cb 0.06 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3l7h h VAL 41 CO -0.10 0.09 -0.08 -0.61 0.02 0.00 0.00 177.57 176.89 3l7h h GLN 42 N 0.52 -0.22 -0.06 1.57 4.15 -1.19 -0.53 115.11 119.34 3l7h h GLN 42 Ca 0.30 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.74 3l7h h GLN 42 Cb 0.30 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 3l7h h GLN 42 CO -0.25 -0.06 0.04 1.88 -1.93 0.00 0.00 178.83 178.51 3l7h h TYR 43 N -0.34 0.08 -0.21 3.99 0.05 -1.30 0.01 116.97 119.24 3l7h h TYR 43 Ca -0.02 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.79 3l7h h TYR 43 Cb 0.27 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3l7h h TYR 43 CO -0.03 0.07 -0.01 0.00 -1.05 0.00 0.00 178.16 177.14 3l7h h ALA 44 N 1.00 0.18 -0.10 3.88 0.00 -1.25 0.37 119.26 123.34 3l7h h ALA 44 Ca 0.02 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 3l7h h ALA 44 Cb 0.01 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3l7h h ALA 44 CO -0.00 -0.43 -0.78 0.78 0.00 0.00 0.00 179.25 178.81 3l7h h GLY 45 N 0.06 0.78 0.71 0.00 0.00 -0.97 -1.23 103.07 102.42 3l7h h GLY 45 Ca 0.10 -1.17 -0.11 0.00 0.00 0.00 0.00 47.33 46.15 3l7h h GLY 45 CO -0.18 1.04 -0.41 1.41 0.00 0.00 0.00 176.54 178.40 3l7h h LEU 46 N 0.39 0.45 -1.62 3.11 3.38 -0.85 -2.42 115.31 117.74 3l7h h LEU 46 Ca -0.07 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.23 3l7h h LEU 46 Cb 1.42 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3l7h h LEU 46 CO 0.16 1.07 0.29 0.24 0.09 0.00 0.00 178.44 180.29 3l7h h MET 47 N -0.14 0.49 -0.28 1.13 2.86 -0.36 -1.90 114.93 116.73 3l7h h MET 47 Ca -0.04 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 3l7h h MET 47 Cb 1.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3l7h h MET 47 CO 0.08 0.32 -0.30 0.77 1.06 0.00 0.00 176.91 178.84 3l7h h SER 48 N 0.50 0.60 -0.48 1.22 0.02 -1.07 0.27 113.55 114.61 3l7h h SER 48 Ca 0.17 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3l7h h SER 48 Cb 0.08 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3l7h h SER 48 CO -0.04 0.87 0.13 1.56 -1.14 0.00 0.00 176.83 178.21 3l7h h GLN 49 N 0.50 0.76 -0.46 3.45 4.20 -0.94 -0.51 115.11 122.11 3l7h h GLN 49 Ca 0.06 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 3l7h h GLN 49 Cb 0.78 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3l7h h GLN 49 CO 0.06 0.73 0.09 1.25 -0.67 0.00 0.00 178.83 180.29 3l7h h LEU 50 N 0.65 0.72 -0.89 1.46 5.85 -1.10 -1.40 115.31 120.59 3l7h h LEU 50 Ca 0.15 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3l7h h LEU 50 Cb 0.30 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3l7h h LEU 50 CO -0.00 0.79 0.06 0.00 -0.34 0.00 0.00 178.44 178.94 3l7h h ALA 51 N 0.96 1.09 -0.58 1.25 0.00 -0.85 0.38 119.26 121.51 3l7h h ALA 51 Ca 0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3l7h h ALA 51 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3l7h h ALA 51 CO 0.01 0.59 -0.01 0.22 0.00 0.00 0.00 179.25 180.05 3l7h h ASP 52 N 0.82 1.01 -0.61 0.00 3.58 -0.88 -0.25 116.42 120.09 3l7h h ASP 52 Ca 0.17 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.26 3l7h h ASP 52 Cb 0.41 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 3l7h h ASP 52 CO 0.01 1.08 0.22 0.50 -2.88 0.00 0.00 179.24 178.17 3l7h h LYS 53 N 0.92 0.93 -0.45 0.28 1.63 -0.88 -2.22 116.57 116.77 3l7h h LYS 53 Ca 0.16 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 3l7h h LYS 53 Cb 0.57 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3l7h h LYS 53 CO 0.03 0.80 0.18 0.00 -3.45 0.00 0.00 179.45 177.01 3l7h h ALA 54 N 1.08 0.58 -0.17 5.00 0.00 -0.63 -0.33 119.26 124.80 3l7h h ALA 54 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3l7h h ALA 54 Cb 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3l7h h ALA 54 CO -0.01 0.19 -0.01 -0.09 0.00 0.00 0.00 179.25 179.32 3l7h h ARG 55 N 0.58 0.04 -0.10 0.00 2.43 -0.96 -0.79 114.38 115.58 3l7h h ARG 55 Ca 0.15 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 3l7h h ARG 55 Cb 0.19 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3l7h h ARG 55 CO -0.01 0.02 -0.61 0.66 -1.51 0.00 0.00 179.97 178.52 3l7h h SER 56 N 0.04 0.38 0.28 -3.80 4.64 -1.21 -2.31 113.55 111.57 3l7h h SER 56 Ca 0.08 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3l7h h SER 56 Cb 0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3l7h h SER 56 CO -0.15 0.90 -0.18 0.58 -0.87 0.00 0.00 176.83 177.11 3l7h h VAL 57 N 0.25 0.62 -0.74 0.95 2.07 -0.72 -0.22 116.25 118.47 3l7h h VAL 57 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3l7h h VAL 57 Cb 1.13 0.62 -0.14 0.00 -1.52 0.00 0.00 31.29 31.38 3l7h h VAL 57 CO 0.10 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 177.98 3l7h h VAL 58 N -0.45 0.16 -0.30 2.57 2.07 -1.07 -1.56 116.25 117.67 3l7h h VAL 58 Ca -0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3l7h h VAL 58 Cb 0.38 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3l7h h VAL 58 CO 0.02 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 177.56 3l7h h ARG 59 N -0.07 0.48 -0.44 1.57 2.47 -1.18 -2.14 114.38 115.08 3l7h h ARG 59 Ca 0.31 -0.12 -0.12 0.00 -1.26 0.00 0.00 59.98 58.78 3l7h h ARG 59 Cb 0.57 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 3l7h h ARG 59 CO -0.79 0.57 -0.21 -0.44 0.56 0.00 0.00 179.97 179.67 3l7h h ASP 60 N 0.45 0.95 -0.28 7.04 3.32 -0.14 -2.92 116.42 124.84 3l7h h ASP 60 Ca 0.09 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 3l7h h ASP 60 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3l7h h ASP 60 CO 0.02 1.14 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.52 3l7h h LEU 61 N 0.76 0.66 -6.50 1.55 3.38 -1.01 -3.43 115.31 110.72 3l7h h LEU 61 Ca 0.10 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3l7h h LEU 61 Cb 0.78 -0.18 -0.23 0.00 0.09 0.00 0.00 40.66 41.13 3l7h h LEU 61 CO 0.06 0.79 -0.27 -0.62 0.09 0.00 0.00 178.44 178.49 3l7h s ASP 62 N -6.71 -0.95 0.00 -0.43 -1.08 -0.83 -5.02 116.67 101.65 3l7h s ASP 62 Ca -0.09 1.01 0.19 0.00 -0.52 0.00 0.00 52.55 53.15 3l7h s ASP 62 Cb 0.14 1.97 0.89 0.00 -1.46 0.00 0.00 42.92 44.46 3l7h s ASP 62 CO 0.80 -0.25 1.60 -0.81 0.52 0.00 0.00 175.17 177.03 3l7h n PRO 63 N 5.42 0.14 0.00 4.34 -0.04 -1.12 -1.63 135.00 142.11 3l7h n PRO 63 Ca -0.06 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 3l7h n PRO 63 Cb 0.50 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 3l7h n PRO 63 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3l7h n SER 64 N -1.39 2.00 -4.95 3.54 3.41 -1.26 -4.95 113.62 110.02 3l7h n SER 64 Ca 0.07 -1.58 -0.23 0.00 -0.26 0.00 0.00 58.87 56.86 3l7h n SER 64 Cb 0.19 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3l7h n SER 64 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3l7h s ASN 65 N -2.13 6.33 -0.00 4.04 2.47 -0.65 -5.13 114.94 119.87 3l7h s ASN 65 Ca 0.30 0.19 -0.01 0.00 0.42 0.00 0.00 52.86 53.76 3l7h s ASN 65 Cb 0.20 -1.91 -0.00 0.00 -1.45 0.00 0.00 41.25 38.08 3l7h s ASN 65 CO 0.38 -0.07 0.01 -1.81 -3.72 0.00 0.00 177.10 171.89 3l7h s ASP 66 N -3.72 0.05 0.31 -4.21 1.01 -1.26 -4.48 116.67 104.37 3l7h s ASP 66 Ca 0.35 -0.11 -0.29 0.00 0.71 0.00 0.00 52.55 53.22 3l7h s ASP 66 Cb -0.10 0.07 -0.10 0.00 1.01 0.00 0.00 42.92 43.80 3l7h s ASP 66 CO 0.30 -0.10 1.17 -0.32 0.21 0.00 0.00 175.17 176.43 3l7h s MET 67 N -0.43 4.50 -0.01 8.23 -2.45 -1.26 -4.94 119.30 122.95 3l7h s MET 67 Ca -0.05 1.93 0.02 0.00 -1.25 0.00 0.00 55.69 56.34 3l7h s MET 67 Cb -0.03 -3.11 -0.02 0.00 1.25 0.00 0.00 34.83 32.92 3l7h s MET 67 CO -0.00 0.04 0.03 0.25 1.05 0.00 0.00 175.02 176.39 3l7h n THR 68 N 0.97 0.03 -3.66 10.11 -2.24 -1.26 -4.91 114.28 113.33 3l7h n THR 68 Ca -0.00 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 3l7h n THR 68 Cb 0.44 0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 3l7h n THR 68 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3l7h s PHE 69 N -2.09 -0.53 -0.04 4.78 0.08 -1.26 -3.99 117.98 114.92 3l7h s PHE 69 Ca -0.01 1.12 0.03 0.00 0.12 0.00 0.00 56.93 58.19 3l7h s PHE 69 Cb 0.01 0.24 0.01 0.00 -0.57 0.00 0.00 43.02 42.70 3l7h s PHE 69 CO 0.07 -0.40 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.51 3l7h s LEU 70 N -0.47 1.73 -0.09 -0.37 2.96 -0.28 -4.99 118.68 117.17 3l7h s LEU 70 Ca -0.06 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3l7h s LEU 70 Cb -0.03 -0.70 0.02 0.00 0.50 0.00 0.00 46.19 45.97 3l7h s LEU 70 CO 0.04 0.06 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.90 3l7h s ARG 71 N 0.36 1.73 -0.28 1.98 0.52 -1.26 -0.77 118.95 121.22 3l7h s ARG 71 Ca -0.07 -0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3l7h s ARG 71 Cb -0.12 -1.57 0.04 0.00 0.52 0.00 0.00 34.95 33.82 3l7h s ARG 71 CO 0.02 -0.11 -0.03 0.08 0.02 0.00 0.00 175.30 175.27 3l7h s VAL 72 N 1.15 2.89 0.13 3.52 1.01 0.48 -4.98 120.40 124.61 3l7h s VAL 72 Ca -0.05 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 3l7h s VAL 72 Cb -0.14 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 3l7h s VAL 72 CO -0.02 0.01 0.50 -0.60 0.00 0.00 0.00 175.10 174.99 3l7h s ARG 73 N 1.27 3.90 0.36 2.72 3.52 -1.26 -0.23 118.95 129.23 3l7h s ARG 73 Ca -0.04 0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.95 3l7h s ARG 73 Cb -0.19 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3l7h s ARG 73 CO -0.03 0.50 0.46 -1.54 -0.81 0.00 0.00 175.30 173.89 3l7h s SER 74 N -1.75 1.17 0.21 -2.12 1.04 -0.34 -5.00 113.70 106.90 3l7h s SER 74 Ca 0.36 -1.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.12 3l7h s SER 74 Cb -0.15 0.67 0.21 0.00 0.10 0.00 0.00 66.02 66.86 3l7h s SER 74 CO 0.19 -1.30 1.84 0.50 0.98 0.00 0.00 173.24 175.45 3l7h h LYS 75 N 2.07 0.83 0.00 4.02 1.63 -2.04 -3.27 116.57 119.81 3l7h h LYS 75 Ca -0.28 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3l7h h LYS 75 Cb 1.24 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 3l7h h LYS 75 CO 0.38 0.55 -1.83 1.63 -3.45 0.00 0.00 179.45 176.73 3l7h n LYS 76 N -4.67 0.62 -3.84 1.90 5.02 -1.26 -5.03 118.16 110.90 3l7h n LYS 76 Ca 0.08 -0.15 -0.05 0.00 -2.02 0.00 0.00 58.31 56.17 3l7h n LYS 76 Cb 0.11 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.58 3l7h n LYS 76 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3l7h s HIS 77 N -3.47 0.04 -0.00 2.13 -3.43 -1.23 -4.83 115.29 104.49 3l7h s HIS 77 Ca -0.06 -0.51 0.07 0.00 -0.80 0.00 0.00 55.06 53.75 3l7h s HIS 77 Cb 0.14 0.74 -0.02 0.00 -1.43 0.00 0.00 32.58 32.00 3l7h s HIS 77 CO 0.89 -1.14 -0.22 -2.00 -2.00 0.00 0.00 174.74 170.27 3l7h s GLU 78 N -2.52 2.14 -0.14 -0.38 2.12 0.13 -1.20 118.70 118.84 3l7h s GLU 78 Ca 0.17 -0.92 0.02 0.00 0.36 0.00 0.00 54.97 54.61 3l7h s GLU 78 Cb -0.03 -2.13 0.01 0.00 0.26 0.00 0.00 34.13 32.23 3l7h s GLU 78 CO 0.07 0.56 -0.21 0.42 -0.54 0.00 0.00 175.26 175.56 3l7h s ILE 79 N -0.73 2.12 -0.10 -3.70 1.01 0.68 -0.32 121.20 120.16 3l7h s ILE 79 Ca 0.11 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3l7h s ILE 79 Cb -0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3l7h s ILE 79 CO 0.01 0.55 -0.02 -0.32 0.00 0.00 0.00 174.94 175.15 3l7h s MET 80 N 0.85 3.12 -0.20 2.79 1.75 -0.17 -0.38 119.30 127.06 3l7h s MET 80 Ca -0.06 -0.46 0.01 0.00 -1.25 0.00 0.00 55.69 53.93 3l7h s MET 80 Cb -0.15 -2.79 0.03 0.00 2.84 0.00 0.00 34.83 34.76 3l7h s MET 80 CO -0.03 0.57 -0.17 0.08 -0.65 0.00 0.00 175.02 174.83 3l7h s VAL 81 N -0.54 2.13 -0.19 10.11 1.01 0.05 -0.83 120.40 132.14 3l7h s VAL 81 Ca 0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3l7h s VAL 81 Cb -0.12 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3l7h s VAL 81 CO 0.02 0.38 -0.14 0.00 0.00 0.00 0.00 175.10 175.36 3l7h s ALA 82 N 1.24 2.51 0.23 5.51 0.00 -0.10 -1.12 121.76 130.03 3l7h s ALA 82 Ca 0.01 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 3l7h s ALA 82 Cb -0.15 -1.36 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 3l7h s ALA 82 CO -0.10 -0.33 1.49 -2.14 0.00 0.00 0.00 175.76 174.67 3l7h s PRO 83 N 1.28 4.24 -0.38 0.00 0.02 -1.26 -0.95 135.00 137.96 3l7h s PRO 83 Ca 0.04 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.42 3l7h s PRO 83 Cb -0.14 -3.12 0.16 0.00 0.02 0.00 0.00 34.50 31.42 3l7h s PRO 83 CO -0.08 -0.49 0.38 0.34 -0.33 0.00 0.00 177.00 176.82 3l7h s ASP 84 N 0.61 1.18 1.95 2.53 -1.08 -0.12 -4.95 116.67 116.80 3l7h s ASP 84 Ca 0.63 -1.66 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 3l7h s ASP 84 Cb -0.43 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 3l7h s ASP 84 CO 0.40 -0.25 0.00 0.29 0.52 0.00 0.00 175.17 176.13 3l7h n LYS 85 N 4.16 0.00 -0.40 4.34 5.02 -1.26 -1.13 118.16 128.89 3l7h n LYS 85 Ca 0.12 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.45 3l7h n LYS 85 Cb 0.45 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.66 3l7h n LYS 85 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3l7h n ASP 86 N 10.25 3.12 -3.95 4.39 8.00 -1.26 -4.93 116.55 132.19 3l7h n ASP 86 Ca 0.00 -2.38 -0.08 0.00 0.71 0.00 0.00 54.79 53.04 3l7h n ASP 86 Cb 0.00 -0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.49 3l7h n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3l7h s PHE 87 N -1.81 0.30 0.04 1.24 0.08 -0.28 -2.80 117.98 114.74 3l7h s PHE 87 Ca 0.27 -0.77 0.09 0.00 0.12 0.00 0.00 56.93 56.64 3l7h s PHE 87 Cb 0.19 -0.18 -0.03 0.00 -0.57 0.00 0.00 43.02 42.44 3l7h s PHE 87 CO 0.10 -0.50 -0.25 0.96 -0.10 0.00 0.00 175.22 175.44 3l7h s ILE 88 N -3.89 2.27 -0.10 0.64 -4.36 0.46 -0.95 121.20 115.28 3l7h s ILE 88 Ca 0.07 -1.31 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 3l7h s ILE 88 Cb 0.06 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 3l7h s ILE 88 CO -0.10 0.39 -0.06 -0.22 0.24 0.00 0.00 174.94 175.18 3l7h s LEU 89 N -1.20 3.15 -0.15 0.37 2.96 -0.12 -1.76 118.68 121.93 3l7h s LEU 89 Ca 0.12 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 3l7h s LEU 89 Cb -0.10 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.90 3l7h s LEU 89 CO 0.02 0.28 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.58 3l7h s ILE 90 N -0.33 1.47 -0.11 6.68 1.01 -0.31 -0.92 121.20 128.69 3l7h s ILE 90 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3l7h s ILE 90 Cb -0.12 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.94 3l7h s ILE 90 CO 0.02 0.42 -0.20 -0.69 0.00 0.00 0.00 174.94 174.49 3l7h s VAL 91 N 1.52 1.84 -0.24 2.92 1.01 -0.01 -0.71 120.40 126.73 3l7h s VAL 91 Ca 0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 3l7h s VAL 91 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3l7h s VAL 91 CO -0.10 0.51 0.08 -0.63 0.00 0.00 0.00 175.10 174.96 3l7h s ILE 92 N 0.64 4.49 0.06 2.22 1.01 -0.10 -1.00 121.20 128.51 3l7h s ILE 92 Ca -0.13 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.46 3l7h s ILE 92 Cb -0.16 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3l7h s ILE 92 CO 0.03 0.34 -0.16 -1.58 0.00 0.00 0.00 174.94 173.58 3l7h s GLN 93 N 1.48 0.97 0.00 2.79 0.74 0.57 0.10 119.66 126.31 3l7h s GLN 93 Ca 0.06 -0.88 0.27 0.00 0.05 0.00 0.00 55.36 54.86 3l7h s GLN 93 Cb -0.15 -1.02 0.93 0.00 1.10 0.00 0.00 33.01 33.87 3l7h s GLN 93 CO 0.04 0.24 1.68 0.09 -0.55 0.00 0.00 175.29 176.80