#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qua n ALA 3 N 0.00 2.02 -2.10 0.55 0.00 -1.23 -4.51 120.51 115.24 1qua n ALA 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1qua n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1qua n ALA 3 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1qua s PRO 4 N -1.28 4.32 -0.25 0.00 0.02 -1.26 -4.88 135.00 131.66 1qua s PRO 4 Ca 0.00 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 62.84 1qua s PRO 4 Cb 0.00 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1qua s PRO 4 CO 0.00 -0.41 1.99 -1.14 -0.33 0.00 0.00 177.00 177.10 1qua s GLN 5 N 0.79 3.30 0.47 5.54 0.74 -1.26 -4.71 119.66 124.54 1qua s GLN 5 Ca 0.63 1.77 0.04 0.00 0.05 0.00 0.00 55.36 57.85 1qua s GLN 5 Cb -0.38 -4.27 -0.03 0.00 1.10 0.00 0.00 33.01 29.43 1qua s GLN 5 CO 0.33 -1.90 0.04 0.95 -0.55 0.00 0.00 175.29 174.15 1qua s THR 6 N 7.33 1.52 -0.21 -0.34 -4.23 -0.65 -4.77 115.64 114.28 1qua s THR 6 Ca 0.89 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 59.29 1qua s THR 6 Cb -0.28 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.14 1qua s THR 6 CO 0.34 0.00 0.55 -0.55 -0.54 0.00 0.00 174.62 174.42 1qua s SER 7 N -3.85 -0.65 -0.20 3.99 0.15 0.44 -1.24 113.70 112.33 1qua s SER 7 Ca 0.19 1.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 1qua s SER 7 Cb 0.04 1.09 0.01 0.00 -1.71 0.00 0.00 66.02 65.46 1qua s SER 7 CO 0.10 -0.20 -0.13 -0.63 1.20 0.00 0.00 173.24 173.57 1qua s ILE 8 N 0.94 2.59 -0.55 6.45 -1.09 0.38 -4.32 121.20 125.60 1qua s ILE 8 Ca -0.05 -0.81 -0.19 0.00 -2.23 0.00 0.00 60.65 57.37 1qua s ILE 8 Cb -0.05 -2.16 0.08 0.00 -1.58 0.00 0.00 42.46 38.75 1qua s ILE 8 CO -0.08 0.45 0.68 -1.61 -1.23 0.00 0.00 174.94 173.15 1qua s GLU 9 N 1.35 3.09 -0.08 2.79 2.02 -1.26 -0.90 118.70 125.72 1qua s GLU 9 Ca 0.04 -1.09 -0.19 0.00 0.02 0.00 0.00 54.97 53.76 1qua s GLU 9 Cb -0.14 -4.18 -0.05 0.00 0.10 0.00 0.00 34.13 29.86 1qua s GLU 9 CO -0.09 -1.40 0.51 -1.17 0.02 0.00 0.00 175.26 173.14 1qua s LEU 10 N 2.72 4.33 -0.12 1.80 2.96 0.12 -1.55 118.68 128.94 1qua s LEU 10 Ca 0.14 0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 1qua s LEU 10 Cb -0.21 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 1qua s LEU 10 CO 0.09 0.05 -0.09 0.12 -1.32 0.00 0.00 176.35 175.20 1qua s PHE 11 N 0.28 2.91 -0.09 5.38 5.36 -0.33 -0.71 117.98 130.78 1qua s PHE 11 Ca 0.28 -0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 55.86 1qua s PHE 11 Cb -0.16 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 1qua s PHE 11 CO 0.13 -0.03 -0.00 -0.51 -1.46 0.00 0.00 175.22 173.35 1qua s LEU 12 N 0.10 3.57 -0.12 6.12 1.43 -0.79 -1.27 118.68 127.71 1qua s LEU 12 Ca -0.03 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1qua s LEU 12 Cb -0.14 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1qua s LEU 12 CO 0.04 0.37 -0.16 -0.63 0.23 0.00 0.00 176.35 176.20 1qua s ILE 13 N -0.86 1.60 -0.21 -0.59 -1.09 -0.81 -0.75 121.20 118.50 1qua s ILE 13 Ca 0.13 -0.70 -0.08 0.00 -2.23 0.00 0.00 60.65 57.77 1qua s ILE 13 Cb -0.11 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.27 1qua s ILE 13 CO 0.02 0.46 0.08 -0.69 -1.23 0.00 0.00 174.94 173.59 1qua s VAL 14 N 1.02 4.74 0.85 2.92 1.01 0.10 -0.10 120.40 130.94 1qua s VAL 14 Ca -0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1qua s VAL 14 Cb -0.15 -3.17 0.15 0.00 0.00 0.00 0.00 36.38 33.21 1qua s VAL 14 CO -0.03 0.40 1.18 1.51 0.00 0.00 0.00 175.10 178.16 1qua s ASP 15 N 0.86 3.82 0.36 3.32 -4.77 -0.73 -0.70 116.67 118.83 1qua s ASP 15 Ca 0.04 0.19 0.07 0.00 -3.30 0.00 0.00 52.55 49.55 1qua s ASP 15 Cb -0.14 -0.46 0.68 0.00 -1.09 0.00 0.00 42.92 41.91 1qua s ASP 15 CO 0.03 -2.26 1.88 -0.74 0.70 0.00 0.00 175.17 174.78 1qua h HIS 16 N -1.15 0.40 -0.29 2.11 -0.00 -1.88 -1.50 115.15 112.85 1qua h HIS 16 Ca -0.43 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.37 59.73 1qua h HIS 16 Cb 1.26 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1qua h HIS 16 CO -0.54 0.47 -0.48 0.66 -0.00 0.00 0.00 177.93 178.03 1qua h SER 17 N 0.37 0.85 1.13 3.26 4.64 -1.93 -0.96 113.55 120.90 1qua h SER 17 Ca 0.08 -0.43 -0.07 0.00 -0.47 0.00 0.00 61.79 60.90 1qua h SER 17 Cb 0.37 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1qua h SER 17 CO 0.02 1.19 -0.34 -0.03 -0.87 0.00 0.00 176.83 176.80 1qua h MET 18 N 0.62 0.00 -0.01 4.77 -1.53 -1.81 -1.58 114.93 115.40 1qua h MET 18 Ca 0.03 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.29 1qua h MET 18 Cb 1.05 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.10 1qua h MET 18 CO 0.10 0.34 -0.00 -0.92 0.14 0.00 0.00 176.91 176.57 1qua h TYR 19 N 0.00 0.02 -0.06 1.39 3.20 -0.86 -3.08 116.97 117.58 1qua h TYR 19 Ca -0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1qua h TYR 19 Cb 0.99 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1qua h TYR 19 CO 0.00 0.40 -0.22 0.00 -1.64 0.00 0.00 178.16 176.70 1qua h ALA 20 N 0.62 1.52 -0.00 1.82 0.00 -1.08 -1.54 119.26 120.59 1qua h ALA 20 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1qua h ALA 20 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qua h ALA 20 CO 0.00 0.35 -0.28 -0.22 0.00 0.00 0.00 179.25 179.10 1qua h LYS 21 N 0.10 0.01 -0.90 0.00 3.64 -1.23 -2.11 116.57 116.08 1qua h LYS 21 Ca 0.02 -0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.04 1qua h LYS 21 Cb 0.45 -0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.06 1qua h LYS 21 CO 0.03 0.29 0.45 0.66 -2.27 0.00 0.00 179.45 178.61 1qua n TYR 22 N -4.20 2.61 -3.10 1.91 4.02 -1.09 -4.91 117.16 112.40 1qua n TYR 22 Ca -0.02 -1.46 -0.21 0.00 -0.01 0.00 0.00 57.90 56.19 1qua n TYR 22 Cb 0.33 -0.79 0.04 0.00 -0.02 0.00 0.00 39.34 38.91 1qua n TYR 22 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1qua n ASN 23 N -0.60 -5.86 -3.84 7.72 3.02 -0.79 -2.96 115.26 111.94 1qua n ASN 23 Ca 0.48 -0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 54.44 1qua n ASN 23 Cb 1.47 -4.63 0.03 0.00 -0.61 0.00 0.00 39.78 36.04 1qua n ASN 23 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qua n SER 24 N -2.30 -3.15 -4.02 6.41 7.64 -0.60 -4.97 113.62 112.63 1qua n SER 24 Ca -0.08 -0.81 -0.31 0.00 1.01 0.00 0.00 58.87 58.68 1qua n SER 24 Cb 0.60 -3.89 -0.15 0.00 -1.01 0.00 0.00 64.21 59.76 1qua n SER 24 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1qua s ASN 25 N -3.77 4.25 0.37 6.43 3.84 -1.16 -4.99 114.94 119.91 1qua s ASN 25 Ca 0.38 -1.37 0.05 0.00 0.21 0.00 0.00 52.86 52.13 1qua s ASN 25 Cb -0.19 -1.41 0.72 0.00 -0.55 0.00 0.00 41.25 39.82 1qua s ASN 25 CO 0.83 -0.22 1.97 0.28 -2.79 0.00 0.00 177.10 177.16 1qua h SER 26 N 7.83 0.49 -0.26 -4.21 0.02 -1.93 -2.80 113.55 112.69 1qua h SER 26 Ca -0.18 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 1qua h SER 26 Cb 1.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1qua h SER 26 CO 0.45 0.46 -0.27 0.28 -1.14 0.00 0.00 176.83 176.60 1qua h SER 27 N 0.54 0.70 -0.38 3.07 0.02 -1.98 0.99 113.55 116.51 1qua h SER 27 Ca 0.13 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1qua h SER 27 Cb 0.13 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1qua h SER 27 CO -0.01 1.03 0.25 0.11 -1.14 0.00 0.00 176.83 177.07 1qua h LYS 28 N 0.38 0.49 -0.50 3.45 1.57 -1.90 -1.02 116.57 119.04 1qua h LYS 28 Ca 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1qua h LYS 28 Cb 0.84 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1qua h LYS 28 CO 0.07 0.32 0.19 0.82 -0.57 0.00 0.00 179.45 180.28 1qua h ILE 29 N 0.50 1.22 0.04 1.86 2.04 -1.43 0.12 117.51 121.86 1qua h ILE 29 Ca 0.14 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1qua h ILE 29 Cb -0.05 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1qua h ILE 29 CO -0.03 0.26 -0.02 0.74 0.00 0.00 0.00 178.15 179.09 1qua h THR 30 N 0.67 1.07 -0.72 -0.27 2.02 -0.54 -0.48 112.91 114.66 1qua h THR 30 Ca 0.17 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1qua h THR 30 Cb 0.21 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1qua h THR 30 CO -0.01 0.09 0.22 0.00 0.37 0.00 0.00 175.52 176.19 1qua h THR 31 N -0.21 1.26 0.15 3.16 1.03 -1.08 0.16 112.91 117.37 1qua h THR 31 Ca -0.01 -0.90 0.01 0.00 -0.01 0.00 0.00 66.41 65.50 1qua h THR 31 Cb 0.19 0.46 -0.03 0.00 -1.07 0.00 0.00 68.15 67.71 1qua h THR 31 CO 0.01 0.35 -0.23 0.74 -0.01 0.00 0.00 175.52 176.39 1qua h THR 32 N 1.08 0.50 -0.41 0.00 2.02 -0.45 -2.22 112.91 113.43 1qua h THR 32 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1qua h THR 32 Cb 0.31 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1qua h THR 32 CO -0.01 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 176.02 1qua h LEU 33 N -0.44 0.50 -0.48 2.58 4.07 -0.86 -2.77 115.31 117.92 1qua h LEU 33 Ca 0.02 -0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.80 1qua h LEU 33 Cb 0.45 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1qua h LEU 33 CO -0.11 0.42 -0.31 0.11 -1.08 0.00 0.00 178.44 177.48 1qua h LYS 34 N 0.57 0.93 -0.15 1.13 1.57 -0.60 -1.80 116.57 118.22 1qua h LYS 34 Ca 0.15 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1qua h LYS 34 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1qua h LYS 34 CO -0.02 1.10 0.10 0.00 -0.57 0.00 0.00 179.45 180.05 1qua h ALA 35 N 0.86 0.19 -0.59 3.86 0.00 -1.13 0.80 119.26 123.26 1qua h ALA 35 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qua h ALA 35 Cb 0.88 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1qua h ALA 35 CO 0.08 -0.31 0.37 0.00 0.00 0.00 0.00 179.25 179.39 1qua h ARG 36 N 0.19 0.79 -0.49 0.00 3.08 -1.51 -1.88 114.38 114.56 1qua h ARG 36 Ca 0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1qua h ARG 36 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1qua h ARG 36 CO -0.01 0.55 0.03 0.28 -1.07 0.00 0.00 179.97 179.75 1qua h VAL 37 N 0.80 1.23 -0.52 2.04 2.07 -1.14 -1.47 116.25 119.26 1qua h VAL 37 Ca 0.21 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1qua h VAL 37 Cb -0.05 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1qua h VAL 37 CO -0.04 0.33 0.18 0.78 0.02 0.00 0.00 177.57 178.84 1qua h ASN 38 N 0.74 0.70 -0.13 0.57 2.35 -0.14 -1.70 115.58 117.97 1qua h ASN 38 Ca 0.15 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1qua h ASN 38 Cb 0.40 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1qua h ASN 38 CO 0.01 0.65 -0.35 0.40 -1.65 0.00 0.00 177.43 176.50 1qua h ILE 39 N 0.75 1.29 -0.65 2.81 2.04 -0.92 -3.05 117.51 119.77 1qua h ILE 39 Ca 0.18 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 64.58 1qua h ILE 39 Cb 0.20 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1qua h ILE 39 CO -0.01 0.48 0.39 0.24 0.00 0.00 0.00 178.15 179.25 1qua h MET 40 N 0.54 0.74 -0.64 2.37 2.86 -0.41 -2.45 114.93 117.94 1qua h MET 40 Ca 0.06 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1qua h MET 40 Cb 0.85 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1qua h MET 40 CO 0.07 0.49 0.30 -0.91 1.06 0.00 0.00 176.91 177.92 1qua h ASN 41 N 0.76 0.39 -0.79 1.22 4.21 -1.27 -1.63 115.58 118.47 1qua h ASN 41 Ca 0.27 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.80 1qua h ASN 41 Cb 0.06 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 1qua h ASN 41 CO -0.12 0.23 0.36 0.00 -1.29 0.00 0.00 177.43 176.61 1qua h ALA 42 N 1.39 1.02 -0.67 -0.83 0.00 -1.45 -1.96 119.26 116.77 1qua h ALA 42 Ca 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1qua h ALA 42 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1qua h ALA 42 CO -0.25 0.60 0.38 0.82 0.00 0.00 0.00 179.25 180.80 1qua h ILE 43 N 1.13 1.20 0.00 0.00 2.04 -0.93 -3.19 117.51 117.76 1qua h ILE 43 Ca 0.27 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1qua h ILE 43 Cb 0.15 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1qua h ILE 43 CO -0.03 0.22 -0.25 -1.22 0.00 0.00 0.00 178.15 176.87 1qua n TYR 44 N -4.54 0.38 0.30 1.37 4.01 -0.68 -4.19 117.16 113.81 1qua n TYR 44 Ca 0.05 0.11 0.17 0.00 -0.16 0.00 0.00 57.90 58.08 1qua n TYR 44 Cb 0.07 -0.60 0.81 0.00 -0.31 0.00 0.00 39.34 39.31 1qua n TYR 44 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qua h SER 45 N 0.00 0.00 0.69 7.72 4.64 -1.35 -1.99 113.55 123.26 1qua h SER 45 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1qua h SER 45 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1qua h SER 45 CO 0.00 0.00 -0.77 0.28 -0.87 0.00 0.00 176.83 175.47 1qua h SER 46 N 0.00 0.08 0.56 4.97 0.02 -1.79 -2.27 113.55 115.11 1qua h SER 46 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1qua h SER 46 Cb 0.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1qua h SER 46 CO 0.00 0.82 0.00 0.18 -1.14 0.00 0.00 176.83 176.69 1qua n LEU 47 N -3.66 0.00 -1.73 5.07 7.99 -0.77 -4.80 117.00 119.09 1qua n LEU 47 Ca -0.02 0.28 -0.13 0.00 -0.01 0.00 0.00 56.01 56.14 1qua n LEU 47 Cb 0.74 -0.28 0.01 0.00 -0.11 0.00 0.00 43.42 43.78 1qua n LEU 47 CO 0.45 -0.01 -0.07 -3.20 -1.51 0.00 0.00 177.39 173.05 1qua n ASN 48 N -1.28 -4.20 -4.29 -1.43 2.85 -0.85 -3.58 115.26 102.48 1qua n ASN 48 Ca 0.14 -0.11 -0.35 0.00 -0.11 0.00 0.00 54.58 54.16 1qua n ASN 48 Cb 0.24 -3.21 -0.14 0.00 1.24 0.00 0.00 39.78 37.91 1qua n ASN 48 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1qua s LEU 49 N -4.00 2.78 -0.09 1.20 0.20 -1.07 -1.64 118.68 116.05 1qua s LEU 49 Ca 0.11 -0.42 -0.18 0.00 0.69 0.00 0.00 54.13 54.33 1qua s LEU 49 Cb -0.05 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.97 1qua s LEU 49 CO 0.13 -0.01 0.48 -0.69 -0.29 0.00 0.00 176.35 175.98 1qua s VAL 50 N 1.39 5.13 -0.16 1.68 1.01 -0.38 -4.16 120.40 124.92 1qua s VAL 50 Ca 0.05 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 62.95 1qua s VAL 50 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1qua s VAL 50 CO -0.04 0.37 -0.01 -0.63 0.00 0.00 0.00 175.10 174.79 1qua s ILE 51 N 0.29 4.15 0.00 2.22 -1.09 -1.26 -0.47 121.20 125.04 1qua s ILE 51 Ca 0.26 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.47 1qua s ILE 51 Cb -0.16 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1qua s ILE 51 CO 0.11 0.49 -0.17 0.42 -1.23 0.00 0.00 174.94 174.57 1qua s THR 52 N 0.27 1.32 -0.31 2.92 -4.23 -0.08 -4.96 115.64 110.58 1qua s THR 52 Ca -0.01 -0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 59.48 1qua s THR 52 Cb -0.13 -1.12 -0.00 0.00 1.34 0.00 0.00 72.50 72.58 1qua s THR 52 CO 0.02 0.29 0.69 -0.22 -0.54 0.00 0.00 174.62 174.86 1qua s LEU 53 N -0.59 4.13 0.44 4.79 2.96 -1.26 0.16 118.68 129.31 1qua s LEU 53 Ca 0.06 0.49 0.26 0.00 -0.22 0.00 0.00 54.13 54.72 1qua s LEU 53 Cb -0.07 -2.90 0.67 0.00 0.50 0.00 0.00 46.19 44.39 1qua s LEU 53 CO -0.00 -0.54 1.72 0.77 -1.32 0.00 0.00 176.35 176.99 1qua h SER 54 N 8.18 0.00 -0.42 3.68 4.64 -1.21 -3.47 113.55 124.96 1qua h SER 54 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1qua h SER 54 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1qua h SER 54 CO 0.83 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1qua n GLY 55 N 0.81 -0.39 2.68 -0.77 0.00 -1.26 -5.02 105.19 101.25 1qua n GLY 55 Ca 0.03 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1qua n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qua s ILE 56 N -1.91 0.07 -0.05 -0.61 1.01 -1.26 -1.89 121.20 116.56 1qua s ILE 56 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1qua s ILE 56 Cb 0.00 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 1qua s ILE 56 CO 0.00 0.03 0.02 -0.70 0.00 0.00 0.00 174.94 174.29 1qua s GLU 57 N 2.08 2.96 -0.08 2.79 2.12 0.07 -4.99 118.70 123.66 1qua s GLU 57 Ca 0.04 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.95 1qua s GLU 57 Cb -0.14 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1qua s GLU 57 CO -0.06 0.68 -0.20 -1.64 -0.54 0.00 0.00 175.26 173.50 1qua s MET 58 N -1.18 2.52 -1.24 4.30 -1.94 -1.26 0.01 119.30 120.51 1qua s MET 58 Ca 0.16 -0.72 -0.13 0.00 -1.71 0.00 0.00 55.69 53.30 1qua s MET 58 Cb -0.11 -1.96 0.16 0.00 2.01 0.00 0.00 34.83 34.92 1qua s MET 58 CO 0.06 0.15 1.56 0.91 -0.01 0.00 0.00 175.02 177.68 1qua n TRP 59 N 3.56 4.51 -0.16 -0.03 8.01 0.12 -4.78 117.44 128.67 1qua n TRP 59 Ca -0.20 -3.21 -0.02 0.00 -1.31 0.00 0.00 57.50 52.77 1qua n TRP 59 Cb 0.53 -2.17 0.21 0.00 -2.01 0.00 0.00 31.31 27.87 1qua n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1qua h SER 60 N 6.84 0.81 0.02 -0.99 4.64 -1.90 -3.23 113.55 119.74 1qua h SER 60 Ca 0.35 -0.10 -0.37 0.00 -0.47 0.00 0.00 61.79 61.20 1qua h SER 60 Cb 0.82 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 1qua h SER 60 CO 1.35 0.71 -2.07 0.00 -0.87 0.00 0.00 176.83 175.95 1qua n ALA 61 N -2.45 1.07 -3.45 5.18 0.00 -1.26 -5.03 120.51 114.58 1qua n ALA 61 Ca 0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1qua n ALA 61 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 1qua n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qua s ALA 62 N -2.48 -1.66 0.23 0.00 0.00 -1.26 -5.10 121.76 111.49 1qua s ALA 62 Ca -0.32 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1qua s ALA 62 Cb 0.10 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.84 1qua s ALA 62 CO 0.59 -0.72 1.13 -0.51 0.00 0.00 0.00 175.76 176.24 1qua s ASP 63 N -2.58 7.22 0.00 0.00 1.01 -1.26 -4.77 116.67 116.29 1qua s ASP 63 Ca 0.01 2.22 0.28 0.00 0.71 0.00 0.00 52.55 55.78 1qua s ASP 63 Cb -0.01 -2.62 1.22 0.00 1.01 0.00 0.00 42.92 42.52 1qua s ASP 63 CO -0.11 -0.22 1.91 0.18 0.21 0.00 0.00 175.17 177.14 1qua n LEU 64 N 1.81 0.00 -4.01 1.23 4.77 -1.26 -4.80 117.00 114.74 1qua n LEU 64 Ca 0.01 0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 1qua n LEU 64 Cb 0.45 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1qua n LEU 64 CO 0.54 -0.01 -0.20 0.27 -1.33 0.00 0.00 177.39 176.66 1qua s ILE 65 N -3.00 0.14 -0.44 -0.08 -4.36 -1.26 -5.09 121.20 107.11 1qua s ILE 65 Ca 0.14 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.68 1qua s ILE 65 Cb 0.19 -1.65 0.03 0.00 1.25 0.00 0.00 42.46 42.28 1qua s ILE 65 CO 0.52 -0.64 1.13 0.42 0.24 0.00 0.00 174.94 176.61 1qua s THR 66 N -3.94 4.27 -0.54 8.37 -4.23 -1.26 -4.97 115.64 113.33 1qua s THR 66 Ca 0.12 1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 61.72 1qua s THR 66 Cb 0.06 -4.56 0.04 0.00 1.34 0.00 0.00 72.50 69.38 1qua s THR 66 CO -0.06 -0.89 1.01 -0.69 -0.54 0.00 0.00 174.62 173.45 1qua s VAL 67 N 4.28 4.30 0.06 2.29 1.01 -1.26 -4.83 120.40 126.26 1qua s VAL 67 Ca 0.48 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 1qua s VAL 67 Cb -0.08 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1qua s VAL 67 CO 0.28 -1.12 0.25 -1.10 0.00 0.00 0.00 175.10 173.41 1qua s GLN 68 N 4.18 3.50 0.48 2.72 -0.21 -1.26 -4.99 119.66 124.09 1qua s GLN 68 Ca 0.35 -0.30 0.33 0.00 0.02 0.00 0.00 55.36 55.76 1qua s GLN 68 Cb -0.11 -3.01 1.54 0.00 1.00 0.00 0.00 33.01 32.44 1qua s GLN 68 CO 0.22 0.59 1.98 0.66 -2.12 0.00 0.00 175.29 176.63 1qua h SER 69 N 3.25 0.00 -2.56 5.90 4.64 -1.96 -3.37 113.55 119.45 1qua h SER 69 Ca -0.46 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.29 1qua h SER 69 Cb 1.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 1qua h SER 69 CO 0.73 0.00 0.89 -0.94 -0.87 0.00 0.00 176.83 176.64 1qua s SER 70 N -4.96 6.20 0.28 4.97 1.04 -1.26 0.56 113.70 120.53 1qua s SER 70 Ca -0.00 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1qua s SER 70 Cb 0.10 -2.52 0.69 0.00 0.10 0.00 0.00 66.02 64.40 1qua s SER 70 CO 0.42 -1.67 1.66 0.28 0.98 0.00 0.00 173.24 174.90 1qua h SER 71 N 9.83 0.06 -0.49 7.02 0.02 -1.89 -2.46 113.55 125.63 1qua h SER 71 Ca -0.28 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1qua h SER 71 Cb 1.06 0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.76 1qua h SER 71 CO 1.24 -0.12 0.08 0.03 -1.14 0.00 0.00 176.83 176.91 1qua h ARG 72 N 0.24 0.20 -0.07 3.45 2.47 -1.92 -0.84 114.38 117.91 1qua h ARG 72 Ca 0.54 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.24 1qua h ARG 72 Cb 1.07 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1qua h ARG 72 CO -0.62 0.13 -0.00 -0.91 0.56 0.00 0.00 179.97 179.13 1qua h ASN 73 N 0.21 0.12 -0.73 7.04 -0.26 -1.82 -2.95 115.58 117.19 1qua h ASN 73 Ca 0.25 -0.33 0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1qua h ASN 73 Cb 0.34 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.53 1qua h ASN 73 CO -0.34 0.42 0.47 0.74 -1.06 0.00 0.00 177.43 177.65 1qua h THR 74 N -0.18 1.12 -0.90 2.81 2.02 -1.29 0.11 112.91 116.60 1qua h THR 74 Ca 0.02 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1qua h THR 74 Cb 0.36 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1qua h THR 74 CO 0.00 0.17 0.59 0.25 0.37 0.00 0.00 175.52 176.90 1qua h LEU 75 N 0.92 1.04 -0.37 2.58 5.85 -1.15 0.21 115.31 124.39 1qua h LEU 75 Ca 0.29 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.81 1qua h LEU 75 Cb -0.02 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 1qua h LEU 75 CO -0.10 0.76 -0.46 0.11 -0.34 0.00 0.00 178.44 178.41 1qua h LYS 76 N 1.22 0.89 -0.37 1.25 1.57 -1.22 -0.66 116.57 119.26 1qua h LYS 76 Ca 0.33 -0.51 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1qua h LYS 76 Cb -0.13 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1qua h LYS 76 CO -0.07 1.15 0.05 -0.07 -0.57 0.00 0.00 179.45 179.94 1qua h LEU 77 N 0.71 0.59 -0.04 2.94 3.38 -0.36 -2.93 115.31 119.60 1qua h LEU 77 Ca 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1qua h LEU 77 Cb 1.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1qua h LEU 77 CO 0.11 0.71 0.02 0.15 0.09 0.00 0.00 178.44 179.51 1qua h PHE 78 N 0.45 0.06 -0.75 1.13 3.57 -0.43 -1.91 116.94 119.06 1qua h PHE 78 Ca 0.11 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1qua h PHE 78 Cb 0.38 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1qua h PHE 78 CO 0.03 0.15 0.49 0.00 -2.23 0.00 0.00 178.31 176.75 1qua h ALA 79 N 0.90 1.61 -0.29 2.41 0.00 -1.17 -0.32 119.26 122.40 1qua h ALA 79 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1qua h ALA 79 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1qua h ALA 79 CO -0.00 0.29 -0.16 1.03 0.00 0.00 0.00 179.25 180.42 1qua h SER 80 N 0.86 0.64 -0.04 0.00 0.87 -1.39 -1.88 113.55 112.62 1qua h SER 80 Ca 0.31 -0.42 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1qua h SER 80 Cb 0.14 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1qua h SER 80 CO -0.10 0.92 -0.13 -0.25 -0.53 0.00 0.00 176.83 176.73 1qua h TRP 81 N 0.37 0.37 -0.48 2.24 7.01 -0.78 -1.77 115.95 122.91 1qua h TRP 81 Ca 0.06 -0.05 -0.13 0.00 2.11 0.00 0.00 58.89 60.88 1qua h TRP 81 Cb 0.68 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1qua h TRP 81 CO 0.06 0.48 -0.21 -0.09 -2.79 0.00 0.00 178.44 175.89 1qua h ARG 82 N 0.33 0.98 0.47 2.65 2.43 -0.86 -0.58 114.38 119.80 1qua h ARG 82 Ca 0.06 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1qua h ARG 82 Cb 0.44 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1qua h ARG 82 CO 0.03 1.09 -0.22 1.49 -1.51 0.00 0.00 179.97 180.84 1qua h GLU 83 N 0.85 -0.60 0.00 0.20 4.81 -0.83 -0.81 114.58 118.19 1qua h GLU 83 Ca 0.11 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1qua h GLU 83 Cb 0.79 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1qua h GLU 83 CO 0.07 -0.31 -0.03 1.79 -0.73 0.00 0.00 179.01 179.79 1qua h THR 84 N -0.85 0.00 0.00 0.32 1.35 -1.40 -3.39 112.91 108.93 1qua h THR 84 Ca -0.06 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1qua h THR 84 Cb 0.57 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1qua h THR 84 CO 0.11 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.71 1qua n ASP 85 N -2.51 0.00 -0.16 5.36 -0.08 -0.25 -4.84 116.55 114.08 1qua n ASP 85 Ca 0.05 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.29 1qua n ASP 85 Cb 0.46 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.95 1qua n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1qua h LEU 86 N 0.00 -0.66 -2.62 -2.67 5.85 -1.45 -2.06 115.31 111.71 1qua h LEU 86 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1qua h LEU 86 Cb 0.00 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1qua h LEU 86 CO 0.00 -0.22 0.00 -0.07 -0.34 0.00 0.00 178.44 177.81 1qua h LEU 87 N -0.07 0.00 -0.10 2.25 3.38 -1.28 0.16 115.31 119.65 1qua h LEU 87 Ca 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 1qua h LEU 87 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1qua h LEU 87 CO -0.55 0.00 -0.73 0.11 0.09 0.00 0.00 178.44 177.36 1qua h LYS 88 N 0.00 0.00 0.01 1.13 1.79 -1.62 -3.38 116.57 114.50 1qua h LYS 88 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 1qua h LYS 88 Cb 0.03 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.62 1qua h LYS 88 CO 0.00 0.73 -2.46 0.54 -1.08 0.00 0.00 179.45 177.18 1qua n ARG 89 N -3.33 0.65 -4.53 3.15 1.74 -0.10 -4.99 116.66 109.26 1qua n ARG 89 Ca 0.01 0.18 -0.22 0.00 -0.77 0.00 0.00 57.85 57.04 1qua n ARG 89 Cb 0.81 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 30.57 1qua n ARG 89 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1qua s THR 90 N -2.52 0.99 -0.04 0.55 2.01 0.36 -5.12 115.64 111.88 1qua s THR 90 Ca -0.35 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 60.95 1qua s THR 90 Cb 0.10 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1qua s THR 90 CO 0.59 0.30 0.71 -0.55 -0.69 0.00 0.00 174.62 174.99 1qua s SER 91 N 0.25 7.04 -0.07 3.53 0.15 -1.26 -4.04 113.70 119.30 1qua s SER 91 Ca -0.05 1.25 -0.30 0.00 0.70 0.00 0.00 55.95 57.55 1qua s SER 91 Cb -0.11 -2.42 0.07 0.00 -1.71 0.00 0.00 66.02 61.85 1qua s SER 91 CO 0.01 -0.07 0.68 0.54 1.20 0.00 0.00 173.24 175.60 1qua s ASN 92 N 0.54 -0.67 0.40 5.45 2.20 -1.26 -4.93 114.94 116.67 1qua s ASN 92 Ca 0.38 0.79 0.21 0.00 -0.94 0.00 0.00 52.86 53.30 1qua s ASN 92 Cb -0.18 0.63 0.28 0.00 -2.00 0.00 0.00 41.25 39.98 1qua s ASN 92 CO 0.19 -0.57 1.57 0.44 -2.94 0.00 0.00 177.10 175.79 1qua h ASP 93 N 3.20 0.00 -3.87 3.54 3.32 -1.67 -3.47 116.42 117.46 1qua h ASP 93 Ca -0.27 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1qua h ASP 93 Cb 1.14 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.46 1qua h ASP 93 CO 0.36 0.12 0.38 0.21 -1.72 0.00 0.00 179.24 178.58 1qua s ASN 94 N -6.27 -0.52 0.07 6.45 3.84 -1.23 -3.09 114.94 114.20 1qua s ASN 94 Ca 0.06 0.84 0.07 0.00 0.21 0.00 0.00 52.86 54.04 1qua s ASN 94 Cb 0.06 0.79 -0.03 0.00 -0.55 0.00 0.00 41.25 41.52 1qua s ASN 94 CO 0.69 -0.29 -0.19 0.00 -2.79 0.00 0.00 177.10 174.51 1qua s ALA 95 N -0.31 1.64 -0.12 1.71 0.00 -1.06 -1.19 121.76 122.43 1qua s ALA 95 Ca -0.01 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1qua s ALA 95 Cb -0.03 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1qua s ALA 95 CO -0.00 0.33 -0.01 -1.14 0.00 0.00 0.00 175.76 174.94 1qua s GLN 96 N -1.55 0.88 0.14 0.00 0.74 -0.40 -2.16 119.66 117.31 1qua s GLN 96 Ca 0.05 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 1qua s GLN 96 Cb -0.09 -1.49 -0.07 0.00 1.10 0.00 0.00 33.01 32.46 1qua s GLN 96 CO 0.03 -0.40 1.02 -1.17 -0.55 0.00 0.00 175.29 174.22 1qua s LEU 97 N 1.86 4.50 -0.22 3.68 0.20 -0.84 -1.93 118.68 125.93 1qua s LEU 97 Ca 0.03 1.92 0.02 0.00 0.69 0.00 0.00 54.13 56.79 1qua s LEU 97 Cb -0.14 -3.59 0.04 0.00 -0.43 0.00 0.00 46.19 42.07 1qua s LEU 97 CO -0.07 -0.13 -0.15 -0.76 -0.29 0.00 0.00 176.35 174.96 1qua s LEU 98 N -0.15 2.87 0.16 -0.68 2.01 0.85 -0.50 118.68 123.23 1qua s LEU 98 Ca 0.48 -1.05 0.07 0.00 0.01 0.00 0.00 54.13 53.64 1qua s LEU 98 Cb -0.26 -1.53 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 1qua s LEU 98 CO 0.32 -0.10 -0.14 0.28 1.01 0.00 0.00 176.35 177.71 1qua s THR 99 N 1.20 1.51 -1.49 5.49 -1.32 -0.42 -1.77 115.64 118.83 1qua s THR 99 Ca -0.02 -1.95 0.21 0.00 -1.21 0.00 0.00 61.69 58.72 1qua s THR 99 Cb -0.17 -1.79 -0.12 0.00 -1.51 0.00 0.00 72.50 68.92 1qua s THR 99 CO -0.08 -0.50 0.98 0.00 -2.21 0.00 0.00 174.62 172.80 1qua n ALA 100 N 0.11 4.14 -1.77 11.08 0.00 -1.26 0.04 120.51 132.85 1qua n ALA 100 Ca -0.12 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 1qua n ALA 100 Cb 0.59 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 19.27 1qua n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qua s THR 101 N -2.71 2.09 -0.43 0.00 2.01 -1.26 -4.84 115.64 110.49 1qua s THR 101 Ca 0.13 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 1qua s THR 101 Cb 0.17 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1qua s THR 101 CO 0.71 0.02 0.59 0.21 -0.69 0.00 0.00 174.62 175.46 1qua s ASN 102 N -0.34 6.29 0.53 3.53 2.47 -1.26 -4.78 114.94 121.39 1qua s ASN 102 Ca 0.57 -0.41 -0.20 0.00 0.42 0.00 0.00 52.86 53.23 1qua s ASN 102 Cb -0.45 -2.30 -0.06 0.00 -1.45 0.00 0.00 41.25 37.00 1qua s ASN 102 CO 0.59 -0.73 1.16 -0.36 -3.72 0.00 0.00 177.10 174.05 1qua s PHE 103 N 2.65 2.65 0.36 0.43 0.08 -1.26 -4.70 117.98 118.18 1qua s PHE 103 Ca 0.20 1.53 -0.28 0.00 0.12 0.00 0.00 56.93 58.49 1qua s PHE 103 Cb -0.15 -3.38 -0.11 0.00 -0.57 0.00 0.00 43.02 38.81 1qua s PHE 103 CO 0.18 -1.75 1.48 0.09 -0.10 0.00 0.00 175.22 175.12 1qua n ASN 104 N -1.14 3.66 0.00 1.36 3.02 0.19 -4.68 115.26 117.68 1qua n ASN 104 Ca 0.11 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.87 1qua n ASN 104 Cb 0.50 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1qua n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qua n GLY 105 N 0.75 -0.18 0.12 7.41 0.00 -1.26 -3.82 105.19 108.21 1qua n GLY 105 Ca 0.03 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1qua n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qua n ASN 106 N -0.22 0.79 -4.73 1.61 5.03 -1.26 -4.92 115.26 111.57 1qua n ASN 106 Ca 0.00 0.62 -0.42 0.00 0.87 0.00 0.00 54.58 55.65 1qua n ASN 106 Cb 0.00 -0.82 -0.03 0.00 -1.02 0.00 0.00 39.78 37.91 1qua n ASN 106 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1qua s THR 107 N -3.20 3.27 -0.21 3.41 -4.23 -1.25 -4.94 115.64 108.49 1qua s THR 107 Ca 0.08 0.97 0.02 0.00 -1.18 0.00 0.00 61.69 61.58 1qua s THR 107 Cb 0.11 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1qua s THR 107 CO 0.52 0.11 0.66 1.33 -0.54 0.00 0.00 174.62 176.69 1qua n VAL 108 N 3.37 0.20 -3.61 2.29 0.24 -1.26 -4.33 118.33 115.23 1qua n VAL 108 Ca 0.09 -0.60 -0.02 0.00 -2.04 0.00 0.00 64.34 61.77 1qua n VAL 108 Cb 0.43 0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 33.71 1qua n VAL 108 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1qua s GLY 109 N -0.33 -0.34 -0.17 7.63 0.00 -1.26 -0.69 107.32 112.15 1qua s GLY 109 Ca 0.02 1.17 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 1qua s GLY 109 CO 0.02 0.34 0.89 -2.27 0.00 0.00 0.00 173.10 172.09 1qua s LEU 110 N -2.54 -0.51 0.27 0.66 2.96 -0.31 -4.96 118.68 114.26 1qua s LEU 110 Ca 0.11 0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 1qua s LEU 110 Cb 0.01 2.11 -0.01 0.00 0.50 0.00 0.00 46.19 48.81 1qua s LEU 110 CO -0.04 -0.35 0.42 0.00 -1.32 0.00 0.00 176.35 175.06 1qua s ALA 111 N -0.63 0.31 -0.08 5.97 0.00 -1.26 0.19 121.76 126.26 1qua s ALA 111 Ca -0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.64 1qua s ALA 111 Cb -0.02 1.14 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1qua s ALA 111 CO 0.02 -0.79 0.20 0.71 0.00 0.00 0.00 175.76 175.89 1qua s TYR 112 N -3.70 3.61 0.08 0.00 2.02 -1.23 -4.96 117.35 113.17 1qua s TYR 112 Ca 0.28 0.59 -0.28 0.00 -0.37 0.00 0.00 57.07 57.28 1qua s TYR 112 Cb 0.01 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1qua s TYR 112 CO 0.13 0.71 0.89 -1.17 -1.57 0.00 0.00 175.55 174.54 1qua s LEU 113 N -1.19 4.47 -1.39 -1.29 2.96 -1.26 -3.06 118.68 117.92 1qua s LEU 113 Ca 0.19 1.66 -0.07 0.00 -0.22 0.00 0.00 54.13 55.69 1qua s LEU 113 Cb -0.13 -3.46 0.04 0.00 0.50 0.00 0.00 46.19 43.14 1qua s LEU 113 CO 0.08 -0.05 0.90 0.29 -1.32 0.00 0.00 176.35 176.25 1qua n LYS 114 N 2.86 -5.70 -0.04 1.98 5.02 0.02 -4.89 118.16 117.41 1qua n LYS 114 Ca 0.01 0.66 0.01 0.00 -2.02 0.00 0.00 58.31 56.97 1qua n LYS 114 Cb 0.50 -5.45 0.04 0.00 -0.02 0.00 0.00 35.03 30.09 1qua n LYS 114 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qua n THR 115 N -4.52 1.04 -1.61 -0.18 -2.24 -0.14 -4.85 114.28 101.78 1qua n THR 115 Ca -0.12 -1.05 -0.49 0.00 -2.27 0.00 0.00 64.05 60.11 1qua n THR 115 Cb 0.60 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 1qua n THR 115 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1qua n MET 116 N -0.34 1.43 0.00 -0.78 0.00 -0.51 -1.11 117.12 115.80 1qua n MET 116 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 57.70 58.24 1qua n MET 116 Cb 0.30 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.39 1qua n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qua s ASN 118 N -1.08 6.62 0.54 0.00 3.84 -0.27 -4.89 114.94 119.70 1qua s ASN 118 Ca 0.00 2.55 0.21 0.00 0.21 0.00 0.00 52.86 55.83 1qua s ASN 118 Cb 0.00 -2.59 1.45 0.00 -0.55 0.00 0.00 41.25 39.56 1qua s ASN 118 CO 0.00 -0.81 2.18 0.28 -2.79 0.00 0.00 177.10 175.96 1qua h SER 119 N 7.07 0.00 0.06 -4.21 0.02 -1.95 -1.08 113.55 113.46 1qua h SER 119 Ca -0.42 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.15 1qua h SER 119 Cb 1.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1qua h SER 119 CO 0.91 0.00 -2.32 0.29 -1.14 0.00 0.00 176.83 174.57 1qua n LYS 120 N -4.31 0.68 -0.07 3.45 5.02 -1.26 -4.25 118.16 117.42 1qua n LYS 120 Ca -0.03 0.13 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 1qua n LYS 120 Cb 0.10 -1.57 0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1qua n LYS 120 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qua n TYR 121 N -3.11 0.18 -2.22 2.13 4.01 -1.10 -4.50 117.16 112.55 1qua n TYR 121 Ca -0.37 -0.37 -0.43 0.00 -0.16 0.00 0.00 57.90 56.57 1qua n TYR 121 Cb 1.06 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 1qua n TYR 121 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qua n SER 122 N 0.11 4.57 -3.93 7.72 2.88 -0.43 -4.62 113.62 119.92 1qua n SER 122 Ca 0.05 -2.94 -0.09 0.00 -1.33 0.00 0.00 58.87 54.56 1qua n SER 122 Cb 0.29 -1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 62.05 1qua n SER 122 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1qua s VAL 123 N 2.61 0.10 0.16 2.46 -7.23 -1.26 -2.57 120.40 114.66 1qua s VAL 123 Ca 0.46 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.19 1qua s VAL 123 Cb 0.09 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 1qua s VAL 123 CO -0.02 -0.46 0.31 -0.83 -0.31 0.00 0.00 175.10 173.79 1qua s GLY 124 N -2.93 0.32 -0.04 2.32 0.00 -0.92 -3.50 107.32 102.57 1qua s GLY 124 Ca 0.13 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1qua s GLY 124 CO -0.04 -0.74 -0.13 -2.27 0.00 0.00 0.00 173.10 169.92 1qua s LEU 125 N -2.93 1.83 -0.04 0.66 2.96 0.13 -1.98 118.68 119.31 1qua s LEU 125 Ca 0.14 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1qua s LEU 125 Cb 0.03 -0.75 0.03 0.00 0.50 0.00 0.00 46.19 45.99 1qua s LEU 125 CO -0.02 0.10 0.02 -0.63 -1.32 0.00 0.00 176.35 174.50 1qua s ILE 126 N 0.15 0.11 -0.10 6.68 -1.09 0.34 -1.16 121.20 126.14 1qua s ILE 126 Ca -0.04 0.18 -0.21 0.00 -2.23 0.00 0.00 60.65 58.35 1qua s ILE 126 Cb -0.10 -0.25 -0.04 0.00 -1.58 0.00 0.00 42.46 40.49 1qua s ILE 126 CO 0.01 0.16 0.59 -1.58 -1.23 0.00 0.00 174.94 172.90 1qua s GLN 127 N 1.38 4.38 -1.08 2.79 0.74 0.13 -1.31 119.66 126.69 1qua s GLN 127 Ca -0.05 0.67 -0.19 0.00 0.05 0.00 0.00 55.36 55.83 1qua s GLN 127 Cb -0.13 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.46 1qua s GLN 127 CO -0.03 0.08 1.99 -3.47 -0.55 0.00 0.00 175.29 173.32 1qua n ASP 128 N 3.83 3.23 -0.15 6.67 2.03 0.11 -4.65 116.55 127.62 1qua n ASP 128 Ca -0.04 -2.75 0.13 0.00 0.52 0.00 0.00 54.79 52.64 1qua n ASP 128 Cb 0.51 -1.42 0.33 0.00 -0.72 0.00 0.00 41.12 39.82 1qua n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qua n HIS 129 N 8.17 0.00 -3.89 -0.67 1.44 -1.26 -4.92 115.22 114.09 1qua n HIS 129 Ca 0.50 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 56.09 1qua n HIS 129 Cb 0.41 -0.17 -0.12 0.00 0.12 0.00 0.00 29.99 30.23 1qua n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1qua s SER 130 N -2.69 0.03 0.21 4.39 0.15 -1.26 -5.02 113.70 109.50 1qua s SER 130 Ca 0.19 -0.11 0.24 0.00 0.70 0.00 0.00 55.95 56.97 1qua s SER 130 Cb 0.19 0.14 0.25 0.00 -1.71 0.00 0.00 66.02 64.89 1qua s SER 130 CO 0.59 -0.17 1.30 0.00 1.20 0.00 0.00 173.24 176.16 1qua h ALA 131 N 5.30 0.65 -1.74 5.45 0.00 -2.02 -3.45 119.26 123.45 1qua h ALA 131 Ca -0.28 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.07 1qua h ALA 131 Cb 1.20 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1qua h ALA 131 CO 0.44 0.00 0.91 0.42 0.00 0.00 0.00 179.25 181.02 1qua s ILE 132 N -3.24 4.23 0.46 0.00 1.01 -1.26 -4.92 121.20 117.48 1qua s ILE 132 Ca 0.04 1.22 0.21 0.00 0.00 0.00 0.00 60.65 62.13 1qua s ILE 132 Cb 0.11 -4.59 0.40 0.00 0.01 0.00 0.00 42.46 38.38 1qua s ILE 132 CO 0.73 -0.98 1.89 1.55 0.00 0.00 0.00 174.94 178.13 1qua h PRO 133 N 9.18 0.26 -0.43 2.79 0.13 -1.99 0.14 132.00 142.07 1qua h PRO 133 Ca -0.23 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1qua h PRO 133 Cb 1.06 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1qua h PRO 133 CO 1.12 0.17 -0.17 1.25 -0.23 0.00 0.00 178.00 180.14 1qua h LEU 134 N 0.27 0.84 -0.34 1.56 6.46 -1.96 0.87 115.31 123.01 1qua h LEU 134 Ca 0.41 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1qua h LEU 134 Cb 1.19 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1qua h LEU 134 CO -0.11 1.00 0.06 -0.07 -0.62 0.00 0.00 178.44 178.71 1qua h LEU 135 N 0.74 0.53 -0.45 2.25 3.38 -1.39 -1.51 115.31 118.86 1qua h LEU 135 Ca 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1qua h LEU 135 Cb 0.69 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1qua h LEU 135 CO 0.05 0.65 0.13 0.24 0.09 0.00 0.00 178.44 179.60 1qua h MET 136 N 0.39 0.71 -0.37 1.13 2.86 -1.22 -0.79 114.93 117.64 1qua h MET 136 Ca 0.10 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1qua h MET 136 Cb 0.34 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1qua h MET 136 CO 0.01 0.69 0.24 0.00 1.06 0.00 0.00 176.91 178.91 1qua h ALA 137 N 0.98 1.75 -0.00 6.32 0.00 -0.76 0.18 119.26 127.73 1qua h ALA 137 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1qua h ALA 137 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qua h ALA 137 CO -0.00 0.23 -0.91 0.28 0.00 0.00 0.00 179.25 178.85 1qua h VAL 138 N 0.49 1.42 -0.34 0.00 2.07 -0.93 -0.80 116.25 118.16 1qua h VAL 138 Ca 0.14 -2.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.14 1qua h VAL 138 Cb -0.04 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1qua h VAL 138 CO -0.03 0.73 0.03 0.74 0.02 0.00 0.00 177.57 179.06 1qua h THR 139 N 0.21 1.25 -0.46 2.57 2.02 0.57 0.34 112.91 119.40 1qua h THR 139 Ca -0.07 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1qua h THR 139 Cb 1.54 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1qua h THR 139 CO 0.15 0.30 0.17 0.24 0.37 0.00 0.00 175.52 176.75 1qua h MET 140 N 0.40 0.70 -0.21 6.66 2.86 -0.72 -2.56 114.93 122.05 1qua h MET 140 Ca 0.10 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1qua h MET 140 Cb 0.40 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1qua h MET 140 CO 0.01 0.65 -0.12 0.00 1.06 0.00 0.00 176.91 178.51 1qua h ALA 141 N 1.02 1.39 -0.29 6.32 0.00 -0.97 -2.32 119.26 124.41 1qua h ALA 141 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1qua h ALA 141 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qua h ALA 141 CO -0.01 0.42 0.08 1.25 0.00 0.00 0.00 179.25 180.99 1qua h HIS 142 N 0.33 0.49 -0.21 0.00 6.17 -0.53 0.27 115.15 121.66 1qua h HIS 142 Ca 0.06 -0.06 -0.20 0.00 0.71 0.00 0.00 60.37 60.89 1qua h HIS 142 Cb 0.43 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.22 1qua h HIS 142 CO 0.01 0.52 -0.65 0.93 0.71 0.00 0.00 177.93 179.45 1qua h GLU 143 N 0.31 0.77 -0.69 5.26 4.39 -1.41 -2.38 114.58 120.83 1qua h GLU 143 Ca 0.09 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 1qua h GLU 143 Cb 0.28 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1qua h GLU 143 CO 0.00 1.17 0.32 1.25 -1.16 0.00 0.00 179.01 180.59 1qua h LEU 144 N 0.56 0.89 -1.37 1.33 5.85 -1.40 -0.45 115.31 120.73 1qua h LEU 144 Ca -0.02 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1qua h LEU 144 Cb 1.26 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1qua h LEU 144 CO 0.13 0.76 0.44 1.23 -0.34 0.00 0.00 178.44 180.67 1qua h GLY 145 N 1.05 0.92 0.91 3.75 0.00 -0.72 -1.98 103.07 107.00 1qua h GLY 145 Ca 0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1qua h GLY 145 CO -0.03 0.29 0.06 0.45 0.00 0.00 0.00 176.54 177.32 1qua h HIS 146 N 0.83 0.60 -0.09 5.60 3.86 -0.58 -0.32 115.15 125.05 1qua h HIS 146 Ca 0.26 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1qua h HIS 146 Cb 0.03 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1qua h HIS 146 CO -0.00 0.62 0.02 -0.91 0.86 0.00 0.00 177.93 178.52 1qua h ASN 147 N 0.41 0.11 -0.19 2.45 -0.26 -0.99 0.59 115.58 117.70 1qua h ASN 147 Ca 0.11 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1qua h ASN 147 Cb 0.34 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1qua h ASN 147 CO 0.01 0.12 0.00 0.18 -1.06 0.00 0.00 177.43 176.68 1qua n LEU 148 N -4.47 2.13 0.00 1.61 4.77 -0.78 -0.97 117.00 119.29 1qua n LEU 148 Ca -0.02 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1qua n LEU 148 Cb 0.12 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1qua n LEU 148 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1qua n GLY 149 N 0.36 0.54 3.80 -0.72 0.00 -0.17 -4.54 105.19 104.47 1qua n GLY 149 Ca 0.08 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1qua n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qua s MET 150 N -0.78 4.06 0.60 1.61 -1.94 -0.15 -4.63 119.30 118.07 1qua s MET 150 Ca 0.00 0.45 0.03 0.00 -1.71 0.00 0.00 55.69 54.46 1qua s MET 150 Cb 0.00 -3.28 0.07 0.00 2.01 0.00 0.00 34.83 33.64 1qua s MET 150 CO 0.00 0.55 0.83 -0.80 -0.01 0.00 0.00 175.02 175.59 1qua s ASN 151 N -0.65 4.96 0.55 3.03 0.02 -1.26 -4.28 114.94 117.32 1qua s ASN 151 Ca 0.25 -0.38 -0.16 0.00 -1.02 0.00 0.00 52.86 51.55 1qua s ASN 151 Cb -0.17 -0.28 -0.06 0.00 0.02 0.00 0.00 41.25 40.76 1qua s ASN 151 CO 0.13 -1.39 1.02 -1.00 0.02 0.00 0.00 177.10 175.88 1qua s HIS 152 N -2.82 3.22 -0.19 2.20 3.76 -1.26 -4.87 115.29 115.33 1qua s HIS 152 Ca 0.61 1.49 -0.29 0.00 -0.15 0.00 0.00 55.06 56.72 1qua s HIS 152 Cb -0.07 -2.90 -0.01 0.00 1.11 0.00 0.00 32.58 30.70 1qua s HIS 152 CO 0.40 -0.74 1.33 -0.51 -0.85 0.00 0.00 174.74 174.36 1qua s ASP 153 N -2.92 6.82 0.39 1.40 1.01 -0.59 -5.00 116.67 117.78 1qua s ASP 153 Ca 0.61 1.62 -0.11 0.00 0.71 0.00 0.00 52.55 55.39 1qua s ASP 153 Cb -0.13 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 1qua s ASP 153 CO 0.34 -0.88 0.75 -0.83 0.21 0.00 0.00 175.17 174.76 1qua s GLY 154 N 2.43 1.98 0.43 0.21 0.00 -1.26 -4.56 107.32 106.56 1qua s GLY 154 Ca 0.58 -0.20 0.28 0.00 0.00 0.00 0.00 44.72 45.38 1qua s GLY 154 CO 0.19 -0.01 1.65 0.00 0.00 0.00 0.00 173.10 174.93 1qua h ALA 155 N 1.40 2.66 -0.09 3.20 0.00 -1.95 0.46 119.26 124.94 1qua h ALA 155 Ca -0.47 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1qua h ALA 155 Cb 1.19 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1qua h ALA 155 CO 0.64 -1.25 0.07 0.41 0.00 0.00 0.00 179.25 179.13 1qua n GLY 156 N -1.52 2.75 0.00 0.00 0.00 -1.26 -3.43 105.19 101.73 1qua n GLY 156 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qua n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qua n SER 158 N -0.42 -5.16 -3.64 0.00 7.64 -1.22 -4.51 113.62 106.31 1qua n SER 158 Ca 0.00 -0.15 -0.04 0.00 1.01 0.00 0.00 58.87 59.68 1qua n SER 158 Cb 0.01 -4.09 -0.07 0.00 -1.01 0.00 0.00 64.21 59.05 1qua n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qua n ALA 160 N 3.97 2.48 -0.33 0.00 0.00 -1.26 -4.62 120.51 120.75 1qua n ALA 160 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1qua n ALA 160 Cb 0.58 -0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.90 1qua n ALA 160 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qua n THR 161 N -0.41 0.76 -1.51 0.00 -2.24 -1.26 -4.85 114.28 104.77 1qua n THR 161 Ca 0.02 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 1qua n THR 161 Cb 0.08 0.60 0.11 0.00 -2.10 0.00 0.00 70.33 69.02 1qua n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qua h ILE 163 N -1.23 0.40 -0.22 0.00 1.08 -0.49 -1.87 117.51 115.18 1qua h ILE 163 Ca -0.48 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1qua h ILE 163 Cb 1.28 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1qua h ILE 163 CO 0.59 0.04 0.00 0.23 -0.69 0.00 0.00 178.15 178.33 1qua n MET 164 N -5.20 2.26 -1.78 2.37 2.81 -1.26 -4.75 117.12 111.57 1qua n MET 164 Ca 0.18 -1.10 -0.40 0.00 -1.81 0.00 0.00 57.70 54.57 1qua n MET 164 Cb 0.58 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 1qua n MET 164 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qua s ALA 165 N -1.63 3.33 0.42 3.04 0.00 -0.70 -1.54 121.76 124.66 1qua s ALA 165 Ca 0.19 1.51 0.10 0.00 0.00 0.00 0.00 51.96 53.77 1qua s ALA 165 Cb 0.14 -3.60 0.93 0.00 0.00 0.00 0.00 23.12 20.58 1qua s ALA 165 CO 0.07 -1.19 2.01 -1.00 0.00 0.00 0.00 175.76 175.65 1qua h PRO 166 N 2.47 0.49 -5.22 0.00 0.13 -1.90 -3.43 132.00 124.54 1qua h PRO 166 Ca -0.51 -0.03 -0.40 0.00 -0.87 0.00 0.00 66.00 64.19 1qua h PRO 166 Cb 1.26 -0.11 -0.23 0.00 0.13 0.00 0.00 31.00 32.05 1qua h PRO 166 CO 0.62 0.33 -0.78 0.14 -0.23 0.00 0.00 178.00 178.07 1qua s VAL 167 N -5.46 1.03 0.07 1.56 -7.23 -1.26 -5.12 120.40 103.99 1qua s VAL 167 Ca -0.08 -1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.63 1qua s VAL 167 Cb 0.19 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 1qua s VAL 167 CO 0.74 -0.16 1.53 -0.22 -0.31 0.00 0.00 175.10 176.69 1qua s LEU 168 N -1.48 4.35 -0.13 1.32 2.96 -1.26 -5.02 118.68 119.43 1qua s LEU 168 Ca -0.02 2.39 -0.15 0.00 -0.22 0.00 0.00 54.13 56.13 1qua s LEU 168 Cb -0.09 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1qua s LEU 168 CO 0.02 -0.80 0.36 -0.55 -1.32 0.00 0.00 176.35 174.06 1qua s SER 169 N 1.86 6.56 0.63 3.68 0.15 -1.26 -5.00 113.70 120.32 1qua s SER 169 Ca 0.69 0.66 0.41 0.00 0.70 0.00 0.00 55.95 58.41 1qua s SER 169 Cb -0.38 -2.22 2.14 0.00 -1.71 0.00 0.00 66.02 63.85 1qua s SER 169 CO 0.30 0.10 2.28 0.28 1.20 0.00 0.00 173.24 177.40 1qua h SER 170 N 6.41 0.00 -2.13 5.45 0.02 -2.01 -3.10 113.55 118.19 1qua h SER 170 Ca -0.43 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.95 1qua h SER 170 Cb 1.18 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.31 1qua h SER 170 CO 0.73 0.01 -0.82 0.61 -1.14 0.00 0.00 176.83 176.22 1qua n GLY 171 N -0.84 4.23 3.77 -3.77 0.00 -1.26 -5.02 105.19 102.30 1qua n GLY 171 Ca -0.02 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.38 1qua n GLY 171 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qua s PRO 172 N -2.24 2.52 0.49 1.61 0.02 -1.18 -5.03 135.00 131.19 1qua s PRO 172 Ca 0.40 1.24 -0.02 0.00 0.02 0.00 0.00 61.00 62.64 1qua s PRO 172 Cb 0.20 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.79 1qua s PRO 172 CO -0.07 -1.45 0.74 0.00 -0.33 0.00 0.00 177.00 175.89 1qua s ALA 173 N -2.70 3.60 -0.35 -1.55 0.00 -0.03 -4.97 121.76 115.77 1qua s ALA 173 Ca 0.63 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.76 1qua s ALA 173 Cb -0.18 -2.30 0.65 0.00 0.00 0.00 0.00 23.12 21.29 1qua s ALA 173 CO 0.50 -0.49 1.74 1.63 0.00 0.00 0.00 175.76 179.14 1qua n LYS 174 N -2.23 2.76 -4.22 0.00 5.02 -1.26 -4.45 118.16 113.78 1qua n LYS 174 Ca 0.02 -3.07 -0.28 0.00 -2.02 0.00 0.00 58.31 52.97 1qua n LYS 174 Cb 0.57 -2.09 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 1qua n LYS 174 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qua s SER 175 N -1.53 4.59 -0.23 4.39 0.01 -1.26 -4.69 113.70 114.97 1qua s SER 175 Ca 0.52 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 57.26 1qua s SER 175 Cb 0.44 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1qua s SER 175 CO 0.09 0.12 0.15 -0.36 0.41 0.00 0.00 173.24 173.66 1qua s PHE 176 N -1.57 3.34 1.27 2.43 0.08 -1.26 0.17 117.98 122.44 1qua s PHE 176 Ca 0.25 0.26 -0.17 0.00 0.12 0.00 0.00 56.93 57.39 1qua s PHE 176 Cb -0.10 -2.24 0.32 0.00 -0.57 0.00 0.00 43.02 40.43 1qua s PHE 176 CO 0.17 0.12 0.99 -1.54 -0.10 0.00 0.00 175.22 174.86 1qua s SER 177 N 0.87 0.16 0.37 1.36 1.04 -1.26 -4.75 113.70 111.49 1qua s SER 177 Ca 0.08 1.15 0.27 0.00 0.48 0.00 0.00 55.95 57.93 1qua s SER 177 Cb -0.13 -1.74 0.98 0.00 0.10 0.00 0.00 66.02 65.24 1qua s SER 177 CO 0.03 -4.66 1.80 0.44 0.98 0.00 0.00 173.24 171.83 1qua h ASP 178 N -2.94 0.00 0.11 7.02 3.32 -1.95 -2.05 116.42 119.92 1qua h ASP 178 Ca -0.54 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.25 1qua h ASP 178 Cb 1.34 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.91 1qua h ASP 178 CO 0.41 0.00 -1.09 0.00 -1.72 0.00 0.00 179.24 176.84 1qua h SER 180 N 0.13 0.98 -0.57 0.00 0.02 -1.76 -1.17 113.55 111.17 1qua h SER 180 Ca -0.17 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1qua h SER 180 Cb 1.79 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.05 1qua h SER 180 CO 0.21 0.99 0.32 0.11 -1.14 0.00 0.00 176.83 177.32 1qua h LYS 181 N 0.95 0.79 -0.55 3.45 1.79 -1.43 -1.86 116.57 119.70 1qua h LYS 181 Ca 0.18 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1qua h LYS 181 Cb 0.46 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1qua h LYS 181 CO 0.02 0.60 0.13 0.45 -1.08 0.00 0.00 179.45 179.57 1qua h HIS 182 N 0.77 0.92 -0.81 -1.35 3.86 -1.26 -0.03 115.15 117.26 1qua h HIS 182 Ca 0.20 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1qua h HIS 182 Cb 0.04 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1qua h HIS 182 CO -0.01 0.80 0.48 -0.44 0.86 0.00 0.00 177.93 179.62 1qua h ASP 183 N 0.78 0.98 -0.54 2.45 3.32 -1.06 -0.42 116.42 121.93 1qua h ASP 183 Ca 0.17 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1qua h ASP 183 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1qua h ASP 183 CO 0.00 0.76 -0.05 0.22 -1.72 0.00 0.00 179.24 178.45 1qua h TYR 184 N 1.11 1.11 -0.52 4.55 3.20 -1.00 0.90 116.97 126.32 1qua h TYR 184 Ca 0.29 -0.20 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 1qua h TYR 184 Cb -0.03 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1qua h TYR 184 CO -0.00 1.01 -0.16 0.37 -1.64 0.00 0.00 178.16 177.73 1qua h GLN 185 N 0.91 1.03 -0.69 1.82 4.15 -0.71 -1.77 115.11 119.85 1qua h GLN 185 Ca 0.15 -0.41 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1qua h GLN 185 Cb 0.60 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1qua h GLN 185 CO 0.04 1.10 0.34 1.03 -1.93 0.00 0.00 178.83 179.41 1qua h SER 186 N 0.90 0.88 -0.18 -0.69 0.87 -0.77 -1.32 113.55 113.25 1qua h SER 186 Ca 0.13 -0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1qua h SER 186 Cb 0.74 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1qua h SER 186 CO 0.06 0.74 -0.44 0.15 -0.53 0.00 0.00 176.83 176.81 1qua h PHE 187 N 0.98 0.88 -0.01 2.24 3.57 -0.51 0.18 116.94 124.28 1qua h PHE 187 Ca 0.24 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qua h PHE 187 Cb 0.09 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1qua h PHE 187 CO 0.01 1.04 0.00 -0.07 -2.23 0.00 0.00 178.31 177.06 1qua h LEU 188 N 0.59 0.02 -0.06 0.59 3.38 -0.97 0.17 115.31 119.02 1qua h LEU 188 Ca 0.04 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 1qua h LEU 188 Cb 0.99 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1qua h LEU 188 CO 0.09 0.32 -0.77 0.71 0.09 0.00 0.00 178.44 178.88 1qua h THR 189 N -0.28 1.33 0.17 0.22 1.35 -1.25 -1.93 112.91 112.53 1qua h THR 189 Ca 0.00 -2.06 -0.31 0.00 -0.55 0.00 0.00 66.41 63.50 1qua h THR 189 Cb 0.31 2.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1qua h THR 189 CO 0.00 0.63 -1.42 -0.29 -0.25 0.00 0.00 175.52 174.19 1qua h ILE 190 N 0.26 1.31 0.00 6.82 -0.00 -0.72 -3.37 117.51 121.81 1qua h ILE 190 Ca -0.08 -2.85 -0.23 0.00 -0.00 0.00 0.00 64.86 61.70 1qua h ILE 190 Cb 1.43 2.92 -0.04 0.00 -0.00 0.00 0.00 36.82 41.13 1qua h ILE 190 CO 0.15 0.85 -1.71 1.41 -0.00 0.00 0.00 178.15 178.85 1qua n HIS 191 N -3.58 0.75 -3.52 2.19 8.25 0.04 -5.03 115.22 114.33 1qua n HIS 191 Ca -0.14 0.26 -0.24 0.00 -0.26 0.00 0.00 57.72 57.33 1qua n HIS 191 Cb 1.06 -1.06 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1qua n HIS 191 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qua n LYS 192 N -2.87 -1.88 -1.99 -0.41 4.76 -0.72 -4.86 118.16 110.18 1qua n LYS 192 Ca -0.16 0.63 -0.43 0.00 -2.87 0.00 0.00 58.31 55.48 1qua n LYS 192 Cb 0.94 -4.86 -0.03 0.00 -1.84 0.00 0.00 35.03 29.25 1qua n LYS 192 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1qua s PRO 193 N -5.36 3.76 0.06 1.97 0.04 -1.26 -4.88 135.00 129.33 1qua s PRO 193 Ca 0.44 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1qua s PRO 193 Cb -0.12 -4.09 -0.27 0.00 0.04 0.00 0.00 34.50 30.06 1qua s PRO 193 CO 0.81 -1.34 1.13 0.37 0.04 0.00 0.00 177.00 178.00 1qua h GLN 194 N 11.23 0.59 -0.08 4.56 5.75 -1.92 -3.35 115.11 131.90 1qua h GLN 194 Ca -0.37 -0.78 0.02 0.00 -0.15 0.00 0.00 58.65 57.38 1qua h GLN 194 Cb 1.17 0.25 -0.00 0.00 1.07 0.00 0.00 27.48 29.98 1qua h GLN 194 CO 0.99 1.35 0.06 0.00 -2.65 0.00 0.00 178.83 178.57 1qua h LEU 196 N 0.00 0.00 -5.87 0.00 -0.00 -1.75 -3.31 115.31 104.38 1qua h LEU 196 Ca 0.04 0.00 -0.77 0.00 -0.00 0.00 0.00 57.88 57.15 1qua h LEU 196 Cb 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 40.60 1qua h LEU 196 CO -0.00 0.00 1.56 0.18 -0.00 0.00 0.00 178.44 180.18 1qua n LEU 197 N -2.52 7.61 0.00 0.17 7.99 -0.53 -0.42 117.00 129.30 1qua n LEU 197 Ca 0.04 -5.11 0.00 0.00 -0.01 0.00 0.00 56.01 50.93 1qua n LEU 197 Cb 0.40 -1.24 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 1qua n LEU 197 CO 0.29 2.03 0.00 -0.46 -1.51 0.00 0.00 177.39 177.73