#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qae s ASP 7 N 0.00 5.24 0.00 4.38 -1.08 -1.26 -4.93 116.67 119.02 1qae s ASP 7 Ca 0.00 -1.48 0.20 0.00 -0.52 0.00 0.00 52.55 50.75 1qae s ASP 7 Cb 0.00 -1.84 0.58 0.00 -1.46 0.00 0.00 42.92 40.20 1qae s ASP 7 CO 0.00 -0.40 1.48 0.59 0.52 0.00 0.00 175.17 177.36 1qae n ASN 8 N 4.72 3.76 -0.01 -0.34 3.02 -1.26 -4.45 115.26 120.70 1qae n ASN 8 Ca -0.09 -2.00 -0.00 0.00 -0.03 0.00 0.00 54.58 52.45 1qae n ASN 8 Cb 0.43 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1qae n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qae n ALA 10 N -1.95 0.00 -1.64 0.00 0.00 -1.26 -4.12 120.51 111.55 1qae n ALA 10 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1qae n ALA 10 Cb 0.44 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.07 1qae n ALA 10 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qae n VAL 11 N 0.00 2.32 -0.09 0.00 0.24 -1.26 -5.04 118.33 114.49 1qae n VAL 11 Ca 0.00 -3.31 0.00 0.00 -2.04 0.00 0.00 64.34 58.99 1qae n VAL 11 Cb 0.00 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 1qae n VAL 11 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qae n GLY 12 N -1.06 0.15 3.77 7.63 0.00 -1.26 -0.75 105.19 113.67 1qae n GLY 12 Ca 0.25 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1qae n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae s PRO 14 N -4.69 2.74 0.31 0.00 0.02 -1.26 -4.20 135.00 127.91 1qae s PRO 14 Ca 0.63 2.13 0.08 0.00 0.02 0.00 0.00 61.00 63.85 1qae s PRO 14 Cb -0.18 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1qae s PRO 14 CO 0.52 -1.47 0.16 0.95 -0.33 0.00 0.00 177.00 176.83 1qae s THR 15 N -1.36 3.52 0.00 0.99 -4.23 -0.84 -4.68 115.64 109.03 1qae s THR 15 Ca 0.79 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1qae s THR 15 Cb -0.39 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1qae s THR 15 CO 0.42 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1qae n GLY 16 N -1.16 0.44 3.78 3.99 0.00 -1.26 -1.55 105.19 109.43 1qae n GLY 16 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1qae n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qae s GLY 17 N -1.14 2.61 0.54 -0.02 0.00 -1.26 -4.73 107.32 103.31 1qae s GLY 17 Ca 0.00 0.76 0.23 0.00 0.00 0.00 0.00 44.72 45.70 1qae s GLY 17 CO 0.00 1.11 2.16 1.48 0.00 0.00 0.00 173.10 177.85 1qae h SER 18 N 1.40 0.00 -2.73 1.64 4.64 -1.93 -3.42 113.55 113.15 1qae h SER 18 Ca -0.50 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.16 1qae h SER 18 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 1qae h SER 18 CO 0.58 0.04 -0.47 -0.44 -0.87 0.00 0.00 176.83 175.67 1qae s SER 19 N -6.59 6.38 0.43 4.97 0.01 -1.25 -4.98 113.70 112.68 1qae s SER 19 Ca -0.05 0.45 0.26 0.00 1.31 0.00 0.00 55.95 57.93 1qae s SER 19 Cb 0.16 -2.08 0.65 0.00 0.21 0.00 0.00 66.02 64.96 1qae s SER 19 CO 0.61 0.38 1.72 0.78 0.41 0.00 0.00 173.24 177.14 1qae h ASN 20 N 5.19 0.00 -3.80 2.44 2.35 -1.94 -3.44 115.58 116.39 1qae h ASN 20 Ca -0.53 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.54 1qae h ASN 20 Cb 1.22 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.32 1qae h ASN 20 CO 0.60 0.00 -0.80 0.68 -1.65 0.00 0.00 177.43 176.27 1qae s VAL 21 N -3.31 2.81 0.19 2.81 -7.23 -1.26 -5.12 120.40 109.28 1qae s VAL 21 Ca 0.06 -0.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 1qae s VAL 21 Cb 0.07 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1qae s VAL 21 CO 0.62 0.56 0.03 -0.44 -0.31 0.00 0.00 175.10 175.56 1qae s SER 22 N -0.24 4.88 -0.22 4.85 0.01 -1.26 -4.64 113.70 117.08 1qae s SER 22 Ca 0.00 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 1qae s SER 22 Cb -0.13 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 1qae s SER 22 CO 0.03 0.07 0.37 -0.63 0.41 0.00 0.00 173.24 173.49 1qae s ILE 23 N -1.82 5.21 -0.20 1.44 1.01 0.10 -4.91 121.20 122.02 1qae s ILE 23 Ca 0.29 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.52 1qae s ILE 23 Cb -0.09 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1qae s ILE 23 CO 0.20 0.24 -0.00 -0.69 0.00 0.00 0.00 174.94 174.69 1qae s VAL 24 N 1.44 3.90 0.25 2.92 1.01 -1.26 -0.55 120.40 128.10 1qae s VAL 24 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1qae s VAL 24 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1qae s VAL 24 CO 0.08 0.42 0.12 -0.13 0.00 0.00 0.00 175.10 175.60 1qae s ARG 25 N 1.08 1.38 0.22 2.72 0.52 0.68 -5.01 118.95 120.55 1qae s ARG 25 Ca 0.02 -1.75 0.01 0.00 -0.52 0.00 0.00 55.73 53.48 1qae s ARG 25 Cb -0.14 -0.04 0.21 0.00 0.52 0.00 0.00 34.95 35.49 1qae s ARG 25 CO 0.01 -0.36 1.56 0.45 0.02 0.00 0.00 175.30 176.98 1qae h HIS 26 N 2.42 0.53 -0.37 -0.53 3.86 -1.98 -3.10 115.15 115.97 1qae h HIS 26 Ca -0.36 -0.18 -0.12 0.00 -1.16 0.00 0.00 60.37 58.54 1qae h HIS 26 Cb 1.25 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1qae h HIS 26 CO 0.56 0.86 -0.26 0.00 0.86 0.00 0.00 177.93 179.95 1qae h ALA 27 N 1.10 0.84 -1.92 2.45 0.00 -1.91 -3.46 119.26 116.36 1qae h ALA 27 Ca 0.01 -0.39 0.32 0.00 0.00 0.00 0.00 54.91 54.85 1qae h ALA 27 Cb 1.04 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1qae h ALA 27 CO 0.09 0.64 0.85 1.52 0.00 0.00 0.00 179.25 182.35 1qae s TYR 28 N -4.54 0.00 -0.08 0.00 -0.85 -1.17 -4.63 117.35 106.08 1qae s TYR 28 Ca -0.09 -0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.35 1qae s TYR 28 Cb 0.13 0.57 0.01 0.00 0.38 0.00 0.00 41.96 43.04 1qae s TYR 28 CO 0.84 -0.33 -0.19 0.99 -1.52 0.00 0.00 175.55 175.35 1qae s THR 29 N -2.18 1.63 0.02 -3.49 2.01 -0.10 -0.23 115.64 113.31 1qae s THR 29 Ca 0.23 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1qae s THR 29 Cb 0.01 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1qae s THR 29 CO -0.01 0.47 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.07 1qae s LEU 30 N 0.48 2.14 -0.25 4.42 0.20 0.29 -0.64 118.68 125.31 1qae s LEU 30 Ca -0.17 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.30 1qae s LEU 30 Cb -0.17 -0.36 0.04 0.00 -0.43 0.00 0.00 46.19 45.27 1qae s LEU 30 CO 0.07 -0.02 -0.09 0.21 -0.29 0.00 0.00 176.35 176.22 1qae s ASN 31 N -0.90 4.33 0.45 3.68 3.84 -0.96 0.03 114.94 125.42 1qae s ASN 31 Ca -0.02 -1.16 -0.11 0.00 0.21 0.00 0.00 52.86 51.79 1qae s ASN 31 Cb -0.06 -1.60 -0.06 0.00 -0.55 0.00 0.00 41.25 38.98 1qae s ASN 31 CO 0.00 -0.16 0.83 0.21 -2.79 0.00 0.00 177.10 175.19 1qae s ASN 32 N 1.21 6.48 -0.29 -4.21 2.47 -1.26 0.40 114.94 119.75 1qae s ASN 32 Ca -0.04 1.20 0.03 0.00 0.42 0.00 0.00 52.86 54.47 1qae s ASN 32 Cb -0.18 -2.36 0.08 0.00 -1.45 0.00 0.00 41.25 37.34 1qae s ASN 32 CO -0.05 -0.49 -0.04 0.21 -3.72 0.00 0.00 177.10 173.01 1qae s ASN 33 N -3.34 4.45 0.34 -4.21 3.84 -1.05 -3.77 114.94 111.21 1qae s ASN 33 Ca 0.52 -1.64 0.26 0.00 0.21 0.00 0.00 52.86 52.21 1qae s ASN 33 Cb -0.10 -1.49 1.18 0.00 -0.55 0.00 0.00 41.25 40.29 1qae s ASN 33 CO 0.35 -0.27 1.78 0.77 -2.79 0.00 0.00 177.10 176.93 1qae h SER 34 N 7.76 0.00 0.00 -4.21 4.64 -1.87 0.15 113.55 120.02 1qae h SER 34 Ca -0.13 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 1qae h SER 34 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1qae h SER 34 CO 0.47 0.00 -0.59 0.74 -0.87 0.00 0.00 176.83 176.59 1qae h THR 35 N 0.00 1.14 0.00 2.95 2.02 -1.93 -3.37 112.91 113.72 1qae h THR 35 Ca 0.00 -2.07 -0.09 0.00 0.77 0.00 0.00 66.41 65.02 1qae h THR 35 Cb 0.26 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1qae h THR 35 CO 0.00 0.39 -0.44 0.71 0.37 0.00 0.00 175.52 176.55 1qae h THR 36 N -1.00 0.80 0.00 3.16 1.35 -1.85 -3.39 112.91 111.98 1qae h THR 36 Ca -0.15 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1qae h THR 36 Cb 1.02 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1qae h THR 36 CO -0.09 0.43 0.00 0.29 -0.25 0.00 0.00 175.52 175.90 1qae n LYS 37 N -3.27 0.00 -4.31 4.72 4.76 0.04 -2.40 118.16 117.69 1qae n LYS 37 Ca 0.02 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.24 1qae n LYS 37 Cb 0.67 -2.40 -0.11 0.00 -1.84 0.00 0.00 35.03 31.34 1qae n LYS 37 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1qae s PHE 38 N -2.54 1.74 0.35 2.13 0.08 -1.22 -4.25 117.98 114.26 1qae s PHE 38 Ca 0.00 -0.48 -0.28 0.00 0.12 0.00 0.00 56.93 56.29 1qae s PHE 38 Cb 0.00 -0.88 -0.10 0.00 -0.57 0.00 0.00 43.02 41.46 1qae s PHE 38 CO 0.00 0.29 1.34 0.00 -0.10 0.00 0.00 175.22 176.75 1qae s ALA 39 N -2.00 3.50 0.12 5.36 0.00 -1.26 -2.53 121.76 124.95 1qae s ALA 39 Ca 0.14 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 1qae s ALA 39 Cb -0.06 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1qae s ALA 39 CO 0.06 -0.74 1.41 -0.91 0.00 0.00 0.00 175.76 175.58 1qae h ASN 40 N 3.25 0.97 -5.01 0.00 2.35 -0.33 -3.40 115.58 113.42 1qae h ASN 40 Ca -0.49 -0.52 -0.06 0.00 -0.55 0.00 0.00 56.30 54.68 1qae h ASN 40 Cb 1.23 -0.28 -0.17 0.00 0.05 0.00 0.00 38.32 39.15 1qae h ASN 40 CO 0.65 1.30 0.11 -1.66 -1.65 0.00 0.00 177.43 176.18 1qae s TRP 41 N -4.18 -0.53 -0.07 1.19 1.48 -1.23 -4.20 118.94 111.41 1qae s TRP 41 Ca -0.11 0.71 -0.00 0.00 -1.06 0.00 0.00 56.10 55.64 1qae s TRP 41 Cb 0.10 0.39 0.02 0.00 -1.16 0.00 0.00 33.47 32.83 1qae s TRP 41 CO 0.89 -0.65 -0.03 0.08 -4.06 0.00 0.00 176.95 173.17 1qae s VAL 42 N -2.06 0.58 -0.11 -0.66 1.01 0.77 -2.25 120.40 117.68 1qae s VAL 42 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1qae s VAL 42 Cb -0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1qae s VAL 42 CO 0.02 0.27 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 1qae s ALA 43 N 1.47 2.79 0.05 5.51 0.00 0.18 -0.83 121.76 130.94 1qae s ALA 43 Ca -0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1qae s ALA 43 Cb -0.13 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1qae s ALA 43 CO -0.03 0.37 0.00 1.52 0.00 0.00 0.00 175.76 177.62 1qae s TYR 44 N -0.11 0.43 -0.25 0.00 1.13 0.21 -0.92 117.35 117.85 1qae s TYR 44 Ca -0.00 -0.92 0.02 0.00 -1.41 0.00 0.00 57.07 54.75 1qae s TYR 44 Cb -0.13 -0.32 0.06 0.00 -1.10 0.00 0.00 41.96 40.47 1qae s TYR 44 CO 0.03 -0.38 -0.07 -1.58 -2.51 0.00 0.00 175.55 171.04 1qae s HIS 45 N -3.60 2.71 -0.08 -3.49 2.46 -1.26 -1.20 115.29 110.82 1qae s HIS 45 Ca 0.04 -1.98 -0.18 0.00 0.47 0.00 0.00 55.06 53.41 1qae s HIS 45 Cb 0.05 -1.73 -0.05 0.00 -0.13 0.00 0.00 32.58 30.73 1qae s HIS 45 CO -0.09 -0.82 0.49 0.42 -2.47 0.00 0.00 174.74 172.27 1qae s ILE 46 N 1.29 5.12 0.30 0.89 1.01 0.49 -4.94 121.20 125.36 1qae s ILE 46 Ca -0.06 0.98 0.02 0.00 0.00 0.00 0.00 60.65 61.60 1qae s ILE 46 Cb -0.19 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1qae s ILE 46 CO -0.06 0.38 0.11 0.42 0.00 0.00 0.00 174.94 175.78 1qae s THR 47 N 0.24 0.64 0.14 2.92 -4.23 -1.26 -1.38 115.64 112.70 1qae s THR 47 Ca 0.26 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.09 1qae s THR 47 Cb -0.16 -2.61 0.32 0.00 1.34 0.00 0.00 72.50 71.39 1qae s THR 47 CO 0.12 0.00 1.96 0.11 -0.54 0.00 0.00 174.62 176.27 1qae h LYS 48 N 2.23 0.00 0.00 3.99 1.57 -1.85 -2.16 116.57 120.35 1qae h LYS 48 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1qae h LYS 48 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1qae h LYS 48 CO 0.60 0.00 -0.77 -0.25 -0.57 0.00 0.00 179.45 178.46 1qae n ASP 49 N -2.62 0.74 0.02 0.86 8.00 -1.26 -4.52 116.55 117.78 1qae n ASP 49 Ca -0.02 -0.61 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 1qae n ASP 49 Cb 0.08 0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 41.68 1qae n ASP 49 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1qae h THR 50 N 0.00 1.03 -4.16 -3.53 1.35 -1.64 -3.43 112.91 102.53 1qae h THR 50 Ca 0.00 -2.78 -0.54 0.00 -0.55 0.00 0.00 66.41 62.54 1qae h THR 50 Cb 0.51 2.60 0.15 0.00 -1.73 0.00 0.00 68.15 69.69 1qae h THR 50 CO 0.00 0.72 0.42 -2.84 -0.25 0.00 0.00 175.52 173.57 1qae s PRO 51 N -2.61 2.26 -0.29 4.72 0.02 -0.97 0.91 135.00 139.03 1qae s PRO 51 Ca -0.08 1.82 -0.20 0.00 0.02 0.00 0.00 61.00 62.57 1qae s PRO 51 Cb 0.08 -1.84 0.15 0.00 0.02 0.00 0.00 34.50 32.90 1qae s PRO 51 CO 0.83 -1.76 1.06 0.00 -0.33 0.00 0.00 177.00 176.80 1qae s ALA 52 N -1.85 -2.20 0.35 -1.55 0.00 -0.30 -4.33 121.76 111.88 1qae s ALA 52 Ca 0.76 2.03 0.07 0.00 0.00 0.00 0.00 51.96 54.82 1qae s ALA 52 Cb -0.31 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1qae s ALA 52 CO 0.43 -0.28 0.37 -1.12 0.00 0.00 0.00 175.76 175.16 1qae s SER 53 N 0.82 5.49 -1.05 0.00 0.01 -1.26 -4.47 113.70 113.24 1qae s SER 53 Ca -0.03 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1qae s SER 53 Cb -0.04 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1qae s SER 53 CO -0.12 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1qae n GLY 54 N -1.50 0.86 3.82 3.44 0.00 -1.26 -5.02 105.19 105.53 1qae n GLY 54 Ca -0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1qae n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qae s LYS 55 N -3.30 4.19 0.62 1.61 -0.14 -1.26 -5.06 119.74 116.41 1qae s LYS 55 Ca 0.00 0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 55.28 1qae s LYS 55 Cb 0.00 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.21 1qae s LYS 55 CO 0.00 0.42 1.03 0.95 -0.76 0.00 0.00 175.35 176.99 1qae s THR 56 N -1.49 4.58 -0.62 2.17 -4.23 -1.26 -5.04 115.64 109.74 1qae s THR 56 Ca 0.41 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.72 1qae s THR 56 Cb -0.16 -3.82 0.16 0.00 1.34 0.00 0.00 72.50 70.01 1qae s THR 56 CO 0.21 -1.08 0.42 -0.13 -0.54 0.00 0.00 174.62 173.50 1qae s ARG 57 N -5.18 2.47 -0.81 3.99 0.52 -1.26 -5.01 118.95 113.66 1qae s ARG 57 Ca 0.55 -2.66 -0.15 0.00 -0.52 0.00 0.00 55.73 52.95 1qae s ARG 57 Cb -0.11 -3.63 0.20 0.00 0.52 0.00 0.00 34.95 31.93 1qae s ARG 57 CO 0.53 -1.17 0.79 -0.80 0.02 0.00 0.00 175.30 174.68 1qae s ASN 58 N 0.24 6.68 0.33 0.23 0.02 -1.26 -5.03 114.94 116.15 1qae s ASN 58 Ca 0.18 -2.49 -0.28 0.00 -1.02 0.00 0.00 52.86 49.25 1qae s ASN 58 Cb -0.20 -2.24 -0.13 0.00 0.02 0.00 0.00 41.25 38.70 1qae s ASN 58 CO -0.04 -0.68 1.19 0.79 0.02 0.00 0.00 177.10 178.38 1qae n TRP 59 N 4.50 1.91 -3.62 2.20 5.03 -1.26 -4.79 117.44 121.41 1qae n TRP 59 Ca 0.12 0.60 -0.16 0.00 3.03 0.00 0.00 57.50 61.09 1qae n TRP 59 Cb 0.47 -2.35 -0.07 0.00 -1.03 0.00 0.00 31.31 28.32 1qae n TRP 59 CO 0.00 0.00 0.00 0.21 -0.03 0.00 0.00 177.69 177.87 1qae s LYS 60 N -1.80 0.88 0.09 -0.99 2.20 -0.98 -4.88 119.74 114.25 1qae s LYS 60 Ca 0.57 0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.97 1qae s LYS 60 Cb -0.61 0.41 -0.06 0.00 -1.51 0.00 0.00 37.83 36.06 1qae s LYS 60 CO 0.61 -0.26 1.24 0.99 -0.36 0.00 0.00 175.35 177.57 1qae s THR 61 N -1.19 3.82 -0.04 3.43 2.01 -1.26 0.16 115.64 122.58 1qae s THR 61 Ca -0.12 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.92 1qae s THR 61 Cb -0.02 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1qae s THR 61 CO 0.07 0.11 2.04 -0.62 -0.69 0.00 0.00 174.62 175.54 1qae s ASP 62 N 0.98 6.15 0.15 3.53 -1.08 -1.26 -4.85 116.67 120.29 1qae s ASP 62 Ca 0.59 2.44 0.21 0.00 -0.52 0.00 0.00 52.55 55.27 1qae s ASP 62 Cb -0.31 -2.52 0.85 0.00 -1.46 0.00 0.00 42.92 39.47 1qae s ASP 62 CO 0.30 -1.33 1.63 -0.81 0.52 0.00 0.00 175.17 175.49 1qae n PRO 63 N 7.91 0.12 0.02 4.34 -0.04 -1.26 -2.71 135.00 143.37 1qae n PRO 63 Ca 0.23 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1qae n PRO 63 Cb 0.42 -1.72 0.42 0.00 -0.04 0.00 0.00 33.50 32.58 1qae n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qae n ALA 64 N -1.67 2.82 -2.59 0.55 0.00 -1.26 -4.89 120.51 113.48 1qae n ALA 64 Ca 0.03 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 1qae n ALA 64 Cb 0.22 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 1qae n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qae s LEU 65 N -3.26 3.19 0.07 0.00 1.43 -1.10 -5.09 118.68 113.91 1qae s LEU 65 Ca 0.12 -0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 52.17 1qae s LEU 65 Cb 0.17 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 1qae s LEU 65 CO 0.62 -0.14 1.22 0.21 0.23 0.00 0.00 176.35 178.49 1qae s ASN 66 N -3.74 7.05 0.60 2.29 3.84 -1.26 -4.89 114.94 118.82 1qae s ASN 66 Ca 0.34 2.05 0.28 0.00 0.21 0.00 0.00 52.86 55.74 1qae s ASN 66 Cb -0.04 -2.58 1.41 0.00 -0.55 0.00 0.00 41.25 39.49 1qae s ASN 66 CO 0.21 -0.49 1.82 -0.65 -2.79 0.00 0.00 177.10 175.19 1qae h PRO 67 N 6.81 0.00 0.00 0.43 0.11 -1.91 0.20 132.00 137.65 1qae h PRO 67 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1qae h PRO 67 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qae h PRO 67 CO 0.82 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.52 1qae h ALA 68 N 1.32 0.94 -0.44 -0.75 0.00 -2.00 -3.28 119.26 115.05 1qae h ALA 68 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qae h ALA 68 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1qae h ALA 68 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1qae n ASP 69 N -2.34 3.52 -3.57 0.00 8.00 0.06 -4.98 116.55 117.25 1qae n ASP 69 Ca 0.05 -1.98 -0.14 0.00 0.71 0.00 0.00 54.79 53.43 1qae n ASP 69 Cb 0.44 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1qae n ASP 69 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1qae s THR 70 N -1.37 0.00 0.25 -3.53 -1.32 -1.23 -4.37 115.64 104.07 1qae s THR 70 Ca 0.39 -1.68 0.04 0.00 -1.21 0.00 0.00 61.69 59.23 1qae s THR 70 Cb 0.23 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.67 1qae s THR 70 CO 0.31 0.00 0.38 -0.76 -2.21 0.00 0.00 174.62 172.34 1qae s LEU 71 N -3.20 4.28 0.23 9.08 1.43 -1.26 -4.92 118.68 124.32 1qae s LEU 71 Ca 0.32 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1qae s LEU 71 Cb 0.01 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1qae s LEU 71 CO 0.18 -0.09 -0.12 0.00 0.23 0.00 0.00 176.35 176.54 1qae s ALA 72 N -2.01 2.89 0.39 4.21 0.00 -1.26 -4.58 121.76 121.40 1qae s ALA 72 Ca 0.35 -1.65 0.17 0.00 0.00 0.00 0.00 51.96 50.84 1qae s ALA 72 Cb -0.09 -0.56 1.08 0.00 0.00 0.00 0.00 23.12 23.54 1qae s ALA 72 CO 0.30 0.36 1.78 -1.35 0.00 0.00 0.00 175.76 176.86 1qae h PRO 73 N 2.54 0.41 0.00 0.00 0.11 -1.90 0.16 132.00 133.33 1qae h PRO 73 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1qae h PRO 73 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qae h PRO 73 CO 0.56 0.27 -0.05 0.00 -0.21 0.00 0.00 178.00 178.57 1qae h ALA 74 N 1.62 1.73 0.00 -0.75 0.00 -1.96 -2.64 119.26 117.27 1qae h ALA 74 Ca 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1qae h ALA 74 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1qae h ALA 74 CO -0.28 0.07 0.00 -0.44 0.00 0.00 0.00 179.25 178.59 1qae h ASP 75 N 0.00 0.00 -0.06 0.00 3.32 -1.16 -2.62 116.42 115.91 1qae h ASP 75 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qae h ASP 75 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1qae h ASP 75 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1qae n TYR 76 N -2.58 0.05 -1.68 4.55 4.02 -0.99 -4.18 117.16 116.35 1qae n TYR 76 Ca -0.00 -0.03 -0.45 0.00 -0.01 0.00 0.00 57.90 57.41 1qae n TYR 76 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.44 1qae n TYR 76 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1qae n THR 77 N 0.53 0.35 -0.94 -0.72 -1.04 -0.99 -1.44 114.28 110.03 1qae n THR 77 Ca 0.17 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1qae n THR 77 Cb 0.42 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1qae n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qae n GLY 78 N 4.08 0.69 0.18 3.41 0.00 -1.26 -3.13 105.19 109.16 1qae n GLY 78 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1qae n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae h ALA 79 N 0.00 0.43 -0.72 4.61 0.00 -1.59 -2.54 119.26 119.45 1qae h ALA 79 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1qae h ALA 79 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1qae h ALA 79 CO 0.00 0.14 0.30 -0.97 0.00 0.00 0.00 179.25 178.73 1qae h ASN 80 N 0.37 0.98 -0.03 0.00 -0.73 -1.79 -0.09 115.58 114.30 1qae h ASN 80 Ca 0.10 -0.16 -0.13 0.00 1.87 0.00 0.00 56.30 57.98 1qae h ASN 80 Cb 0.37 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1qae h ASN 80 CO 0.01 0.87 -0.40 0.00 -0.37 0.00 0.00 177.43 177.54 1qae h ALA 81 N 1.15 0.88 0.08 1.57 0.00 -1.89 -0.38 119.26 120.66 1qae h ALA 81 Ca 0.24 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1qae h ALA 81 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qae h ALA 81 CO -0.02 0.64 -0.91 0.00 0.00 0.00 0.00 179.25 178.95 1qae h ALA 82 N 1.12 0.08 -0.01 0.00 0.00 -1.31 -3.41 119.26 115.74 1qae h ALA 82 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1qae h ALA 82 Cb 0.89 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1qae h ALA 82 CO 0.08 0.50 -0.09 1.28 0.00 0.00 0.00 179.25 181.02 1qae n LEU 83 N -4.21 1.48 -3.59 0.00 4.77 -0.06 -5.01 117.00 110.38 1qae n LEU 83 Ca -0.20 -0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 54.68 1qae n LEU 83 Cb 0.75 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.91 1qae n LEU 83 CO 0.38 0.29 0.13 1.17 -1.33 0.00 0.00 177.39 178.04 1qae n LYS 84 N 0.14 -6.74 -4.31 3.23 3.00 -0.15 -4.92 118.16 108.41 1qae n LYS 84 Ca 0.05 0.78 -0.25 0.00 -0.00 0.00 0.00 58.31 58.89 1qae n LYS 84 Cb 0.21 -5.73 -0.08 0.00 0.00 0.00 0.00 35.03 29.43 1qae n LYS 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1qae s VAL 85 N -3.38 3.24 0.41 3.15 -7.23 -1.26 -1.75 120.40 113.58 1qae s VAL 85 Ca 0.29 -1.84 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 1qae s VAL 85 Cb -0.13 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 1qae s VAL 85 CO 0.75 -0.25 0.13 -1.81 -0.31 0.00 0.00 175.10 173.61 1qae s ASP 86 N -3.26 4.28 -0.90 4.85 1.01 0.20 -3.91 116.67 118.94 1qae s ASP 86 Ca 0.28 -1.15 -0.22 0.00 0.71 0.00 0.00 52.55 52.17 1qae s ASP 86 Cb -0.07 -0.46 0.08 0.00 1.01 0.00 0.00 42.92 43.47 1qae s ASP 86 CO 0.17 -0.50 1.25 -0.13 0.21 0.00 0.00 175.17 176.17 1qae s ARG 87 N -3.85 3.47 -0.21 8.23 0.52 -1.26 -1.93 118.95 123.92 1qae s ARG 87 Ca 0.39 -1.16 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 1qae s ARG 87 Cb 0.05 -4.89 -0.02 0.00 0.52 0.00 0.00 34.95 30.61 1qae s ARG 87 CO 0.21 -2.01 0.70 0.20 0.02 0.00 0.00 175.30 174.42 1qae s GLY 88 N 4.19 1.98 0.44 -3.53 0.00 -0.46 -4.88 107.32 105.06 1qae s GLY 88 Ca 0.37 -0.22 -0.24 0.00 0.00 0.00 0.00 44.72 44.63 1qae s GLY 88 CO -0.03 1.48 1.21 0.30 0.00 0.00 0.00 173.10 176.06 1qae s HIS 89 N 2.19 2.87 -0.11 1.90 3.76 -1.26 -1.96 115.29 122.69 1qae s HIS 89 Ca 0.31 1.50 -0.08 0.00 -0.15 0.00 0.00 55.06 56.64 1qae s HIS 89 Cb -0.16 -3.49 -0.03 0.00 1.11 0.00 0.00 32.58 30.02 1qae s HIS 89 CO 0.10 -1.70 -0.15 1.04 -0.85 0.00 0.00 174.74 173.18 1qae n GLN 90 N -0.21 0.35 -2.82 1.40 6.02 0.19 -4.76 117.38 117.54 1qae n GLN 90 Ca 0.06 0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 57.04 1qae n GLN 90 Cb 0.46 -1.41 -0.04 0.00 1.02 0.00 0.00 30.24 30.27 1qae n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qae s ALA 91 N -2.82 3.48 0.18 -1.58 0.00 -1.26 -4.98 121.76 114.77 1qae s ALA 91 Ca -0.13 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.67 1qae s ALA 91 Cb 0.02 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1qae s ALA 91 CO 0.19 -0.63 1.51 -1.25 0.00 0.00 0.00 175.76 175.58 1qae s PRO 92 N 2.09 4.24 0.07 0.00 0.04 -1.26 -4.96 135.00 135.22 1qae s PRO 92 Ca 0.42 2.30 -0.33 0.00 0.04 0.00 0.00 61.00 63.43 1qae s PRO 92 Cb -0.17 -3.16 -0.19 0.00 0.04 0.00 0.00 34.50 31.02 1qae s PRO 92 CO 0.14 -0.54 1.62 1.25 0.04 0.00 0.00 177.00 179.51 1qae h LEU 93 N 6.40 -0.80 -1.66 -3.56 5.85 -1.94 -3.05 115.31 116.55 1qae h LEU 93 Ca -0.43 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1qae h LEU 93 Cb 1.21 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 1qae h LEU 93 CO 0.88 -0.57 0.37 0.00 -0.34 0.00 0.00 178.44 178.78 1qae h ALA 94 N -0.64 1.99 0.00 1.25 0.00 -1.93 0.25 119.26 120.18 1qae h ALA 94 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1qae h ALA 94 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qae h ALA 94 CO 0.16 -0.11 0.00 0.77 0.00 0.00 0.00 179.25 180.07 1qae h SER 95 N 0.40 0.00 0.00 0.00 0.02 -1.82 -0.79 113.55 111.35 1qae h SER 95 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1qae h SER 95 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1qae h SER 95 CO -0.07 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.80 1qae n LEU 96 N -3.08 0.66 0.00 5.07 4.77 -0.91 -2.29 117.00 121.21 1qae n LEU 96 Ca 0.04 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1qae n LEU 96 Cb 0.50 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1qae n LEU 96 CO 0.33 0.16 0.36 0.00 -1.33 0.00 0.00 177.39 176.91 1qae n ALA 97 N -0.06 1.31 0.60 -1.18 0.00 0.82 -1.97 120.51 120.04 1qae n ALA 97 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1qae n ALA 97 Cb 0.16 -1.00 0.27 0.00 0.00 0.00 0.00 19.45 18.88 1qae n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qae n GLY 98 N -1.18 -1.54 3.76 0.00 0.00 0.26 -4.74 105.19 101.74 1qae n GLY 98 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1qae n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qae s VAL 99 N -3.14 3.21 0.47 1.61 -7.23 -0.83 -4.90 120.40 109.59 1qae s VAL 99 Ca 0.08 0.39 0.18 0.00 -1.81 0.00 0.00 61.98 60.82 1qae s VAL 99 Cb 0.13 -2.88 0.23 0.00 0.56 0.00 0.00 36.38 34.41 1qae s VAL 99 CO 0.67 -0.51 2.05 0.77 -0.31 0.00 0.00 175.10 177.77 1qae h SER 100 N -1.21 0.00 -0.74 4.85 4.64 -1.91 -2.80 113.55 116.38 1qae h SER 100 Ca -0.45 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.37 1qae h SER 100 Cb 1.24 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.03 1qae h SER 100 CO 0.52 0.13 -0.06 -0.90 -0.87 0.00 0.00 176.83 175.65 1qae n ASP 101 N -4.21 5.18 -0.05 4.97 5.68 -1.26 -4.79 116.55 122.07 1qae n ASP 101 Ca -0.02 -3.77 0.24 0.00 -0.50 0.00 0.00 54.79 50.73 1qae n ASP 101 Cb 0.21 -0.63 0.72 0.00 -1.14 0.00 0.00 41.12 40.28 1qae n ASP 101 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1qae h TRP 102 N 1.80 0.00 -0.02 2.11 5.08 -1.79 -1.37 115.95 121.76 1qae h TRP 102 Ca 0.42 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.40 1qae h TRP 102 Cb 1.38 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.54 1qae h TRP 102 CO 1.11 0.00 0.03 0.93 -1.28 0.00 0.00 178.44 179.23 1qae h GLU 103 N 0.00 0.00 0.00 0.12 3.07 -1.89 -0.79 114.58 115.09 1qae h GLU 103 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1qae h GLU 103 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1qae h GLU 103 CO -0.00 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.48 1qae n SER 104 N -3.91 0.55 0.26 1.42 3.41 -0.52 -1.58 113.62 113.25 1qae n SER 104 Ca -0.02 0.67 0.17 0.00 -0.26 0.00 0.00 58.87 59.42 1qae n SER 104 Cb 0.11 -0.77 0.69 0.00 -0.26 0.00 0.00 64.21 63.98 1qae n SER 104 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qae h LEU 105 N 0.00 0.00 -2.86 1.04 3.38 -1.33 -2.36 115.31 113.17 1qae h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qae h LEU 105 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qae h LEU 105 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1qae n ASN 106 N -2.95 3.62 -4.77 -0.43 3.02 -0.61 -4.81 115.26 108.32 1qae n ASN 106 Ca 0.01 -2.08 -0.38 0.00 -0.03 0.00 0.00 54.58 52.10 1qae n ASN 106 Cb 0.28 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 1qae n ASN 106 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qae s TYR 107 N -1.15 3.37 -1.28 3.10 2.02 -0.89 -2.33 117.35 120.19 1qae s TYR 107 Ca 0.39 1.67 0.09 0.00 -0.37 0.00 0.00 57.07 58.84 1qae s TYR 107 Cb 0.21 -3.17 0.44 0.00 -0.40 0.00 0.00 41.96 39.05 1qae s TYR 107 CO 0.25 -0.58 1.21 1.28 -1.57 0.00 0.00 175.55 176.14 1qae n LEU 108 N 0.30 0.00 0.20 -1.29 4.77 0.12 -1.53 117.00 119.58 1qae n LEU 108 Ca 0.03 0.36 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1qae n LEU 108 Cb 0.48 -0.36 0.47 0.00 -2.33 0.00 0.00 43.42 41.68 1qae n LEU 108 CO 0.47 -0.25 0.90 0.77 -1.33 0.00 0.00 177.39 177.96 1qae h SER 109 N 0.00 0.00 -0.65 -1.43 4.64 -1.88 -2.60 113.55 111.64 1qae h SER 109 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qae h SER 109 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1qae h SER 109 CO 0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 1qae n ASN 110 N -2.78 3.93 -4.34 4.97 5.15 -0.58 -4.02 115.26 117.60 1qae n ASN 110 Ca 0.03 -2.10 -0.22 0.00 -0.60 0.00 0.00 54.58 51.69 1qae n ASN 110 Cb 0.37 -0.46 -0.11 0.00 -0.53 0.00 0.00 39.78 39.04 1qae n ASN 110 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qae s ILE 111 N -1.19 1.82 0.10 -1.44 -1.09 -0.98 -0.64 121.20 117.79 1qae s ILE 111 Ca 0.45 -1.94 -0.12 0.00 -2.23 0.00 0.00 60.65 56.81 1qae s ILE 111 Cb 0.25 -1.86 0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1qae s ILE 111 CO 0.28 -0.33 0.29 0.42 -1.23 0.00 0.00 174.94 174.37 1qae s THR 112 N -2.11 0.11 -0.86 2.92 -4.23 -0.83 -4.81 115.64 105.83 1qae s THR 112 Ca 0.16 -0.90 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1qae s THR 112 Cb -0.05 -1.25 0.01 0.00 1.34 0.00 0.00 72.50 72.55 1qae s THR 112 CO 0.07 -0.49 1.59 -2.84 -0.54 0.00 0.00 174.62 172.40 1qae s PRO 113 N -3.81 3.10 -0.19 3.99 0.02 -1.26 -1.36 135.00 135.50 1qae s PRO 113 Ca 0.04 -0.44 -0.09 0.00 0.02 0.00 0.00 61.00 60.53 1qae s PRO 113 Cb 0.03 -4.85 -0.04 0.00 0.02 0.00 0.00 34.50 29.66 1qae s PRO 113 CO -0.11 -2.55 0.09 -1.14 -0.33 0.00 0.00 177.00 172.96 1qae s GLN 114 N 5.96 4.04 0.16 5.54 0.74 -0.81 -4.73 119.66 130.55 1qae s GLN 114 Ca 0.52 -0.28 -0.34 0.00 0.05 0.00 0.00 55.36 55.31 1qae s GLN 114 Cb -0.05 -3.30 -0.15 0.00 1.10 0.00 0.00 33.01 30.60 1qae s GLN 114 CO 0.03 0.31 1.33 1.63 -0.55 0.00 0.00 175.29 178.04 1qae n LYS 115 N 3.45 1.50 -0.31 1.67 4.76 -1.26 0.63 118.16 128.59 1qae n LYS 115 Ca -0.16 0.54 0.09 0.00 -2.87 0.00 0.00 58.31 55.90 1qae n LYS 115 Cb 0.52 -2.15 0.30 0.00 -1.84 0.00 0.00 35.03 31.86 1qae n LYS 115 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1qae h SER 116 N 4.28 0.80 0.33 4.39 0.02 -1.63 0.54 113.55 122.27 1qae h SER 116 Ca -0.45 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 1qae h SER 116 Cb 1.31 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1qae h SER 116 CO 0.76 0.44 -0.32 0.44 -1.14 0.00 0.00 176.83 177.00 1qae h ASP 117 N 0.86 0.00 0.00 3.07 3.32 -1.88 0.36 116.42 122.15 1qae h ASP 117 Ca 0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1qae h ASP 117 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1qae h ASP 117 CO -0.22 0.32 -0.21 0.25 -1.72 0.00 0.00 179.24 177.67 1qae h LEU 118 N 0.00 0.00 -0.76 1.55 5.85 -1.42 -2.25 115.31 118.28 1qae h LEU 118 Ca -0.00 -0.57 0.15 0.00 0.84 0.00 0.00 57.88 58.29 1qae h LEU 118 Cb 0.58 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 1qae h LEU 118 CO 0.04 0.90 0.29 -1.13 -0.34 0.00 0.00 178.44 178.20 1qae h ASN 119 N -1.00 0.23 -0.22 1.25 -1.24 -0.88 -0.93 115.58 112.79 1qae h ASN 119 Ca -0.05 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1qae h ASN 119 Cb 0.72 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.88 1qae h ASN 119 CO -0.03 0.07 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 1qae n GLN 120 N -5.03 2.25 0.00 6.67 6.02 0.11 -3.40 117.38 124.00 1qae n GLN 120 Ca 0.15 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.27 1qae n GLN 120 Cb 0.44 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1qae n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qae n GLY 121 N 1.37 1.03 0.37 1.08 0.00 -0.39 -4.76 105.19 103.89 1qae n GLY 121 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1qae n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae h ALA 122 N -0.48 1.77 -0.57 4.61 0.00 -1.69 -1.64 119.26 121.26 1qae h ALA 122 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1qae h ALA 122 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1qae h ALA 122 CO 0.00 0.05 0.19 2.35 0.00 0.00 0.00 179.25 181.84 1qae h TRP 123 N 0.74 0.90 -0.20 0.00 2.91 -1.73 -1.05 115.95 117.51 1qae h TRP 123 Ca 0.40 -0.08 -0.12 0.00 1.13 0.00 0.00 58.89 60.21 1qae h TRP 123 Cb 0.52 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 1qae h TRP 123 CO -0.00 0.74 -0.39 0.00 -1.03 0.00 0.00 178.44 177.76 1qae h ALA 124 N 1.05 0.95 -0.40 2.65 0.00 -1.39 -1.71 119.26 120.41 1qae h ALA 124 Ca 0.18 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1qae h ALA 124 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qae h ALA 124 CO -0.01 0.62 -0.23 0.00 0.00 0.00 0.00 179.25 179.63 1qae h ARG 125 N 0.38 0.81 -0.40 0.00 -0.00 -1.03 -1.46 114.38 112.69 1qae h ARG 125 Ca 0.04 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.98 59.09 1qae h ARG 125 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.78 1qae h ARG 125 CO 0.07 0.96 -0.12 1.25 0.00 0.00 0.00 179.97 182.14 1qae h LEU 126 N 0.71 0.79 -1.12 3.04 5.85 -1.03 -2.33 115.31 121.22 1qae h LEU 126 Ca 0.10 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.50 1qae h LEU 126 Cb 0.75 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1qae h LEU 126 CO 0.06 0.98 0.60 -0.33 -0.34 0.00 0.00 178.44 179.42 1qae h GLU 127 N 0.60 1.06 0.15 1.25 5.08 -1.08 0.12 114.58 121.74 1qae h GLU 127 Ca 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1qae h GLU 127 Cb 0.65 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1qae h GLU 127 CO 0.04 0.70 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.24 1qae h ASP 128 N 1.09 -0.17 -0.55 1.42 3.32 -0.97 -1.07 116.42 119.49 1qae h ASP 128 Ca 0.39 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1qae h ASP 128 Cb 0.14 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1qae h ASP 128 CO -0.14 0.01 0.21 1.56 -1.72 0.00 0.00 179.24 179.17 1qae h GLN 129 N -0.35 0.87 -0.55 3.56 1.08 -1.00 0.45 115.11 119.18 1qae h GLN 129 Ca -0.02 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1qae h GLN 129 Cb 0.27 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1qae h GLN 129 CO 0.03 0.73 0.29 1.49 -0.95 0.00 0.00 178.83 180.43 1qae h GLU 130 N 0.85 0.78 -0.37 1.46 4.81 -0.65 -2.39 114.58 119.07 1qae h GLU 130 Ca 0.20 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1qae h GLU 130 Cb 0.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1qae h GLU 130 CO -0.01 0.61 -0.34 -0.09 -0.73 0.00 0.00 179.01 178.45 1qae h ARG 131 N 0.74 0.84 0.00 1.92 2.43 -0.63 -3.06 114.38 116.62 1qae h ARG 131 Ca 0.19 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1qae h ARG 131 Cb 0.07 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1qae h ARG 131 CO -0.03 1.05 -0.07 0.87 -1.51 0.00 0.00 179.97 180.28 1qae h LYS 132 N 0.70 0.00 -0.71 0.20 1.57 -0.64 -2.72 116.57 114.97 1qae h LYS 132 Ca 0.07 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1qae h LYS 132 Cb 0.90 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 1qae h LYS 132 CO 0.08 0.07 0.47 -0.07 -0.57 0.00 0.00 179.45 179.43 1qae h LEU 133 N 0.00 0.73 -0.39 2.94 3.38 -1.32 -0.92 115.31 119.73 1qae h LEU 133 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qae h LEU 133 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qae h LEU 133 CO 0.01 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1qae n ILE 134 N -4.46 1.10 0.97 1.22 0.13 -1.03 -1.89 119.36 115.41 1qae n ILE 134 Ca 0.09 0.34 0.13 0.00 -1.10 0.00 0.00 62.75 62.21 1qae n ILE 134 Cb 0.14 -1.21 0.50 0.00 -0.84 0.00 0.00 39.64 38.22 1qae n ILE 134 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1qae n ASP 135 N -1.83 0.20 -4.77 9.51 8.00 -0.35 -4.75 116.55 122.57 1qae n ASP 135 Ca 0.02 0.30 -0.39 0.00 0.71 0.00 0.00 54.79 55.43 1qae n ASP 135 Cb 0.15 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 1qae n ASP 135 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1qae s ARG 136 N -3.01 4.49 0.24 -1.24 0.52 -0.79 -4.95 118.95 114.21 1qae s ARG 136 Ca 0.13 1.69 -0.05 0.00 -0.52 0.00 0.00 55.73 56.98 1qae s ARG 136 Cb 0.18 -2.98 0.25 0.00 0.52 0.00 0.00 34.95 32.93 1qae s ARG 136 CO 0.58 0.11 1.81 0.00 0.02 0.00 0.00 175.30 177.82 1qae h ALA 137 N 3.39 1.12 -0.03 2.13 0.00 -1.89 -2.86 119.26 121.12 1qae h ALA 137 Ca -0.47 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1qae h ALA 137 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1qae h ALA 137 CO 0.65 0.62 0.00 -0.40 0.00 0.00 0.00 179.25 180.13 1qae n ASP 138 N -4.28 0.97 -4.29 0.00 5.68 -1.26 -4.73 116.55 108.63 1qae n ASP 138 Ca 0.06 -1.38 -0.36 0.00 -0.50 0.00 0.00 54.79 52.61 1qae n ASP 138 Cb 0.19 -0.02 -0.13 0.00 -1.14 0.00 0.00 41.12 40.02 1qae n ASP 138 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1qae s ILE 139 N -1.97 3.60 -0.24 2.12 1.01 -1.08 -4.94 121.20 119.70 1qae s ILE 139 Ca 0.39 -0.86 0.18 0.00 0.00 0.00 0.00 60.65 60.36 1qae s ILE 139 Cb 0.20 -2.88 -0.25 0.00 0.01 0.00 0.00 42.46 39.54 1qae s ILE 139 CO 0.32 0.08 0.48 -1.54 0.00 0.00 0.00 174.94 174.29 1qae n SER 140 N 4.80 0.90 -3.79 3.58 3.41 -1.26 -4.65 113.62 116.61 1qae n SER 140 Ca -0.15 -0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.09 1qae n SER 140 Cb 0.47 1.59 -0.09 0.00 -0.26 0.00 0.00 64.21 65.92 1qae n SER 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qae s SER 141 N -3.66 -0.15 -0.11 4.04 0.01 -1.26 -4.39 113.70 108.17 1qae s SER 141 Ca -0.03 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 1qae s SER 141 Cb 0.12 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.71 1qae s SER 141 CO 0.73 -0.38 -0.05 -0.69 0.41 0.00 0.00 173.24 173.26 1qae s VAL 142 N -1.12 0.86 -0.21 3.43 1.01 -0.48 -0.46 120.40 123.43 1qae s VAL 142 Ca -0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1qae s VAL 142 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1qae s VAL 142 CO 0.03 0.29 -0.02 -0.31 0.00 0.00 0.00 175.10 175.09 1qae s TYR 143 N 1.77 3.00 0.05 5.22 2.02 -0.34 -0.38 117.35 128.69 1qae s TYR 143 Ca 0.04 -0.63 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1qae s TYR 143 Cb -0.13 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1qae s TYR 143 CO -0.07 -0.36 -0.17 0.99 -1.57 0.00 0.00 175.55 174.37 1qae s THR 144 N 1.18 1.33 -0.06 -0.71 2.01 -0.34 -2.08 115.64 116.96 1qae s THR 144 Ca 0.03 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 60.88 1qae s THR 144 Cb -0.15 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.18 1qae s THR 144 CO 0.00 0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.15 1qae s VAL 145 N -0.94 1.03 0.06 3.82 1.01 -0.42 -0.62 120.40 124.34 1qae s VAL 145 Ca 0.03 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1qae s VAL 145 Cb -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1qae s VAL 145 CO 0.02 0.33 -0.05 0.28 0.00 0.00 0.00 175.10 175.68 1qae s THR 146 N 0.70 0.42 0.02 3.92 -1.32 -0.01 -0.48 115.64 118.89 1qae s THR 146 Ca -0.14 -1.64 -0.28 0.00 -1.21 0.00 0.00 61.69 58.42 1qae s THR 146 Cb -0.16 -1.29 0.10 0.00 -1.51 0.00 0.00 72.50 69.64 1qae s THR 146 CO 0.03 -0.81 1.23 -0.83 -2.21 0.00 0.00 174.62 172.04 1qae s GLY 147 N -2.60 -0.22 0.48 6.08 0.00 -0.93 -0.16 107.32 109.97 1qae s GLY 147 Ca 0.03 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.08 1qae s GLY 147 CO -0.06 2.52 0.66 2.56 0.00 0.00 0.00 173.10 178.79 1qae s PRO 148 N -2.28 2.69 0.08 2.90 0.04 -1.26 -1.30 135.00 135.86 1qae s PRO 148 Ca 0.21 -1.09 0.07 0.00 0.04 0.00 0.00 61.00 60.23 1qae s PRO 148 Cb 0.01 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1qae s PRO 148 CO -0.01 -0.47 -0.19 -0.51 0.04 0.00 0.00 177.00 175.86 1qae s LEU 149 N -4.52 2.25 -0.51 -3.56 1.43 0.20 -4.88 118.68 109.10 1qae s LEU 149 Ca 0.56 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1qae s LEU 149 Cb -0.10 -0.82 0.15 0.00 0.03 0.00 0.00 46.19 45.45 1qae s LEU 149 CO 0.35 0.06 0.33 -0.31 0.23 0.00 0.00 176.35 177.01 1qae s TYR 150 N -1.06 2.28 -0.23 0.29 2.02 -1.26 -0.70 117.35 118.68 1qae s TYR 150 Ca 0.05 -2.68 0.05 0.00 -0.37 0.00 0.00 57.07 54.11 1qae s TYR 150 Cb -0.09 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1qae s TYR 150 CO 0.03 -0.73 0.21 0.39 -1.57 0.00 0.00 175.55 173.89 1qae n GLU 151 N 2.96 5.26 -3.63 -0.62 1.02 -1.26 -4.99 120.64 119.39 1qae n GLU 151 Ca 0.16 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 1qae n GLU 151 Cb 0.37 -0.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.99 1qae n GLU 151 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1qae s ARG 152 N -1.39 0.84 0.12 3.49 1.70 -1.26 -5.11 118.95 117.34 1qae s ARG 152 Ca 0.02 0.33 -0.31 0.00 -0.47 0.00 0.00 55.73 55.30 1qae s ARG 152 Cb 0.03 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.70 1qae s ARG 152 CO 0.18 -0.21 1.84 -3.47 -1.08 0.00 0.00 175.30 172.55 1qae n ASP 153 N 1.61 4.00 -0.37 -2.89 2.03 -1.26 -4.67 116.55 115.00 1qae n ASP 153 Ca -0.18 0.99 0.03 0.00 0.52 0.00 0.00 54.79 56.15 1qae n ASP 153 Cb 0.56 -1.54 0.08 0.00 -0.72 0.00 0.00 41.12 39.51 1qae n ASP 153 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1qae n MET 154 N 5.62 2.45 0.00 -0.67 2.81 -1.26 -5.11 117.12 120.96 1qae n MET 154 Ca 0.18 -1.69 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 1qae n MET 154 Cb 0.37 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1qae n MET 154 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qae n GLY 155 N 0.16 -1.80 3.08 3.03 0.00 -1.26 -4.99 105.19 103.42 1qae n GLY 155 Ca 0.07 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1qae n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qae s LYS 156 N 0.00 0.58 0.16 1.61 -0.14 -1.26 -4.47 119.74 116.22 1qae s LYS 156 Ca 0.00 -0.93 -0.31 0.00 -1.36 0.00 0.00 55.97 53.36 1qae s LYS 156 Cb 0.00 -0.14 -0.10 0.00 -1.68 0.00 0.00 37.83 35.91 1qae s LYS 156 CO 0.00 -0.00 1.51 -0.51 -0.76 0.00 0.00 175.35 175.59 1qae s LEU 157 N -2.09 4.37 0.54 3.17 1.43 -1.26 -4.90 118.68 119.94 1qae s LEU 157 Ca -0.04 2.56 0.32 0.00 -1.03 0.00 0.00 54.13 55.94 1qae s LEU 157 Cb -0.04 -3.59 1.25 0.00 0.03 0.00 0.00 46.19 43.83 1qae s LEU 157 CO -0.02 -0.77 1.94 1.55 0.23 0.00 0.00 176.35 179.28 1qae h PRO 158 N 6.62 0.00 -0.64 1.29 0.13 -1.86 -3.29 132.00 134.24 1qae h PRO 158 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1qae h PRO 158 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1qae h PRO 158 CO 0.89 0.01 0.06 0.41 -0.23 0.00 0.00 178.00 179.13 1qae n GLY 159 N 0.15 3.03 3.09 1.56 0.00 -1.18 -4.96 105.19 106.87 1qae n GLY 159 Ca 0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1qae n GLY 159 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qae s THR 160 N -2.70 0.11 -2.01 2.61 -1.32 -1.24 -4.39 115.64 106.71 1qae s THR 160 Ca 0.51 -0.91 0.19 0.00 -1.21 0.00 0.00 61.69 60.28 1qae s THR 160 Cb 0.40 -0.59 0.05 0.00 -1.51 0.00 0.00 72.50 70.85 1qae s THR 160 CO 0.14 -0.50 1.02 0.00 -2.21 0.00 0.00 174.62 173.08 1qae n GLN 161 N 1.20 1.59 -2.31 7.08 3.00 -1.26 -4.92 117.38 121.76 1qae n GLN 161 Ca -0.21 -1.18 -0.41 0.00 -0.01 0.00 0.00 57.00 55.19 1qae n GLN 161 Cb 0.57 -1.37 -0.03 0.00 0.00 0.00 0.00 30.24 29.40 1qae n GLN 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1qae s LYS 162 N -1.98 4.50 0.02 -1.09 1.02 -1.26 -4.98 119.74 115.96 1qae s LYS 162 Ca 0.18 1.98 -0.30 0.00 0.02 0.00 0.00 55.97 57.85 1qae s LYS 162 Cb 0.16 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1qae s LYS 162 CO 0.40 -0.01 1.24 0.00 -0.92 0.00 0.00 175.35 176.06 1qae s ALA 163 N -0.89 3.47 0.19 5.17 0.00 -1.26 -4.99 121.76 123.45 1qae s ALA 163 Ca 0.48 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 1qae s ALA 163 Cb -0.35 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.28 1qae s ALA 163 CO 0.44 -0.63 0.45 -3.38 0.00 0.00 0.00 175.76 172.64 1qae s HIS 164 N 1.66 0.08 -0.16 0.00 -0.00 -1.26 -4.70 115.29 110.91 1qae s HIS 164 Ca 0.59 -0.43 -0.02 0.00 -0.00 0.00 0.00 55.06 55.20 1qae s HIS 164 Cb -0.29 0.24 0.05 0.00 -0.00 0.00 0.00 32.58 32.59 1qae s HIS 164 CO 0.26 -0.87 -0.00 0.99 -0.00 0.00 0.00 174.74 175.12 1qae s THR 165 N -3.92 0.72 0.10 -5.38 2.01 -1.01 -4.98 115.64 103.19 1qae s THR 165 Ca 0.13 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1qae s THR 165 Cb 0.00 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.41 1qae s THR 165 CO -0.01 0.00 1.21 -0.63 -0.69 0.00 0.00 174.62 174.50 1qae s ILE 166 N 1.79 3.85 0.71 1.82 1.01 -1.26 -4.88 121.20 124.24 1qae s ILE 166 Ca 0.01 1.39 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 1qae s ILE 166 Cb -0.16 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.45 1qae s ILE 166 CO -0.07 0.14 1.22 -2.65 0.00 0.00 0.00 174.94 173.58 1qae n PRO 167 N 3.51 0.71 -0.00 2.79 -0.02 -1.26 -4.56 135.00 136.16 1qae n PRO 167 Ca 0.08 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1qae n PRO 167 Cb 0.46 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.38 1qae n PRO 167 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qae n SER 168 N -2.37 1.25 -3.78 2.55 3.41 0.12 -4.90 113.62 109.90 1qae n SER 168 Ca 0.15 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.28 1qae n SER 168 Cb 0.49 1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 65.73 1qae n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qae s ALA 169 N -2.60 -1.30 0.01 7.33 0.00 -1.20 -0.90 121.76 123.10 1qae s ALA 169 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1qae s ALA 169 Cb 0.09 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1qae s ALA 169 CO 0.56 -0.99 -0.04 0.71 0.00 0.00 0.00 175.76 176.00 1qae s TYR 170 N -3.87 0.31 0.17 0.00 2.02 0.55 -0.62 117.35 115.90 1qae s TYR 170 Ca 0.09 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.58 1qae s TYR 170 Cb -0.05 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 1qae s TYR 170 CO 0.03 -0.07 -0.12 1.67 -1.57 0.00 0.00 175.55 175.49 1qae s TRP 171 N -0.72 1.46 -0.16 2.71 1.48 -0.42 0.07 118.94 123.36 1qae s TRP 171 Ca -0.06 -0.66 -0.07 0.00 -1.06 0.00 0.00 56.10 54.25 1qae s TRP 171 Cb -0.05 -0.71 0.07 0.00 -1.16 0.00 0.00 33.47 31.61 1qae s TRP 171 CO -0.00 0.20 0.36 0.21 -4.06 0.00 0.00 176.95 173.65 1qae s LYS 172 N -3.54 0.29 -0.14 3.25 2.20 -0.52 -2.18 119.74 119.09 1qae s LYS 172 Ca 0.18 0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 1qae s LYS 172 Cb 0.00 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.36 1qae s LYS 172 CO 0.03 -0.21 -0.11 0.08 -0.36 0.00 0.00 175.35 174.78 1qae s VAL 173 N 1.92 3.19 0.03 4.02 1.01 0.37 -0.80 120.40 130.15 1qae s VAL 173 Ca -0.05 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1qae s VAL 173 Cb -0.10 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1qae s VAL 173 CO -0.11 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.77 1qae s ILE 174 N 0.45 0.72 0.04 2.22 1.01 0.12 -1.31 121.20 124.45 1qae s ILE 174 Ca -0.08 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1qae s ILE 174 Cb -0.15 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1qae s ILE 174 CO 0.04 -0.15 0.32 0.72 0.00 0.00 0.00 174.94 175.87 1qae s PHE 175 N -0.95 -0.14 0.19 3.97 -0.12 -0.89 0.31 117.98 120.36 1qae s PHE 175 Ca -0.04 0.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.94 1qae s PHE 175 Cb -0.08 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1qae s PHE 175 CO 0.01 -0.51 0.07 0.96 -0.05 0.00 0.00 175.22 175.69 1qae s ILE 176 N -2.48 4.00 0.00 -4.49 -4.36 -1.03 -1.20 121.20 111.64 1qae s ILE 176 Ca -0.05 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1qae s ILE 176 Cb -0.01 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.64 1qae s ILE 176 CO -0.03 -0.18 0.00 0.59 0.24 0.00 0.00 174.94 175.56 1qae n ASN 177 N -0.44 0.00 -0.10 4.36 3.02 0.39 -4.11 115.26 118.39 1qae n ASN 177 Ca -0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.29 1qae n ASN 177 Cb 0.56 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 1qae n ASN 177 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1qae n ASN 178 N 6.00 1.76 -3.59 6.41 3.02 -1.26 -4.70 115.26 122.89 1qae n ASN 178 Ca 0.00 0.30 -0.12 0.00 -0.03 0.00 0.00 54.58 54.73 1qae n ASN 178 Cb 0.00 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.41 1qae n ASN 178 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qae s SER 179 N -6.56 -0.48 0.09 6.41 0.15 -1.26 -4.79 113.70 107.26 1qae s SER 179 Ca -0.29 0.71 0.10 0.00 0.70 0.00 0.00 55.95 57.16 1qae s SER 179 Cb 0.08 0.64 0.47 0.00 -1.71 0.00 0.00 66.02 65.50 1qae s SER 179 CO 0.40 -0.32 1.30 -0.81 1.20 0.00 0.00 173.24 175.01 1qae n PRO 180 N 1.42 0.05 0.21 5.44 -0.04 -1.26 -0.05 135.00 140.77 1qae n PRO 180 Ca -0.13 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 1qae n PRO 180 Cb 0.57 -1.63 0.47 0.00 -0.04 0.00 0.00 33.50 32.87 1qae n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qae h ALA 181 N 2.13 1.43 0.00 0.55 0.00 -1.96 -3.33 119.26 118.07 1qae h ALA 181 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1qae h ALA 181 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qae h ALA 181 CO 0.00 0.33 -0.09 1.33 0.00 0.00 0.00 179.25 180.82 1qae n VAL 182 N -4.03 0.00 -4.27 0.00 0.24 -0.49 -5.10 118.33 104.68 1qae n VAL 182 Ca -0.02 -0.17 -0.26 0.00 -2.04 0.00 0.00 64.34 61.84 1qae n VAL 182 Cb 0.33 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 1qae n VAL 182 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qae s ASN 183 N -0.53 4.40 0.47 -1.34 -0.87 0.93 -5.01 114.94 112.98 1qae s ASN 183 Ca 0.00 -0.55 -0.24 0.00 -1.57 0.00 0.00 52.86 50.50 1qae s ASN 183 Cb 0.00 -0.80 -0.08 0.00 -0.02 0.00 0.00 41.25 40.35 1qae s ASN 183 CO 0.00 0.09 1.29 1.41 -2.57 0.00 0.00 177.10 177.32 1qae n HIS 184 N -0.10 2.15 -4.19 2.20 8.25 -1.26 -4.36 115.22 117.90 1qae n HIS 184 Ca -0.10 0.47 -0.13 0.00 -0.26 0.00 0.00 57.72 57.70 1qae n HIS 184 Cb 0.56 -2.37 -0.09 0.00 1.12 0.00 0.00 29.99 29.21 1qae n HIS 184 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1qae s TYR 185 N -1.25 1.16 0.10 4.41 -0.85 -1.26 -2.46 117.35 117.21 1qae s TYR 185 Ca 0.65 -1.36 -0.23 0.00 -0.52 0.00 0.00 57.07 55.60 1qae s TYR 185 Cb -0.47 -0.51 0.06 0.00 0.38 0.00 0.00 41.96 41.42 1qae s TYR 185 CO 0.55 -0.70 0.57 0.00 -1.52 0.00 0.00 175.55 174.45 1qae s ALA 186 N -4.06 -1.50 -0.09 9.51 0.00 0.15 -2.32 121.76 123.46 1qae s ALA 186 Ca 0.38 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 1qae s ALA 186 Cb 0.06 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1qae s ALA 186 CO 0.14 -0.64 0.22 0.00 0.00 0.00 0.00 175.76 175.48 1qae s ALA 187 N -3.08 -0.52 0.12 0.00 0.00 -1.26 0.13 121.76 117.15 1qae s ALA 187 Ca -0.02 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1qae s ALA 187 Cb -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1qae s ALA 187 CO -0.07 -0.14 -0.11 -0.06 0.00 0.00 0.00 175.76 175.38 1qae s PHE 188 N 0.57 1.21 -0.13 0.00 0.40 0.02 -1.14 117.98 118.91 1qae s PHE 188 Ca -0.04 -0.67 -0.05 0.00 -0.60 0.00 0.00 56.93 55.58 1qae s PHE 188 Cb -0.05 -0.64 0.06 0.00 0.51 0.00 0.00 43.02 42.91 1qae s PHE 188 CO -0.03 0.06 0.25 -1.17 0.70 0.00 0.00 175.22 175.03 1qae s LEU 189 N -2.72 -0.27 -0.08 -0.37 0.20 -0.66 -1.44 118.68 113.34 1qae s LEU 189 Ca 0.10 0.52 0.04 0.00 0.69 0.00 0.00 54.13 55.49 1qae s LEU 189 Cb -0.01 0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 46.38 1qae s LEU 189 CO 0.01 -0.25 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.24 1qae s PHE 190 N 2.40 2.54 0.46 5.38 0.40 0.11 -4.83 117.98 124.44 1qae s PHE 190 Ca 0.02 -0.79 -0.20 0.00 -0.60 0.00 0.00 56.93 55.36 1qae s PHE 190 Cb -0.12 -1.67 -0.10 0.00 0.51 0.00 0.00 43.02 41.64 1qae s PHE 190 CO -0.08 -0.26 0.98 0.34 0.70 0.00 0.00 175.22 176.89 1qae s ASP 191 N 0.04 6.72 0.35 1.36 -1.08 -1.26 -0.33 116.67 122.46 1qae s ASP 191 Ca -0.09 1.73 0.09 0.00 -0.52 0.00 0.00 52.55 53.76 1qae s ASP 191 Cb -0.15 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.58 1qae s ASP 191 CO 0.06 -0.51 1.85 1.56 0.52 0.00 0.00 175.17 178.64 1qae h GLN 192 N 1.65 0.68 -0.97 4.34 1.08 -1.37 -2.10 115.11 118.43 1qae h GLN 192 Ca -0.49 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 56.59 1qae h GLN 192 Cb 1.19 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 1qae h GLN 192 CO 0.60 0.45 0.10 0.09 -0.95 0.00 0.00 178.83 179.13 1qae n ASN 193 N -4.59 2.81 -4.69 1.46 5.03 -1.26 -4.54 115.26 109.47 1qae n ASN 193 Ca 0.19 -2.32 -0.42 0.00 0.87 0.00 0.00 54.58 52.89 1qae n ASN 193 Cb 0.50 -0.57 -0.03 0.00 -1.02 0.00 0.00 39.78 38.67 1qae n ASN 193 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1qae s THR 194 N -0.99 3.60 0.48 3.41 2.01 -0.79 -4.95 115.64 118.40 1qae s THR 194 Ca 0.13 1.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 1qae s THR 194 Cb 0.11 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1qae s THR 194 CO 0.03 0.00 0.97 -2.65 -0.69 0.00 0.00 174.62 172.29 1qae n PRO 195 N 5.30 1.19 -0.33 4.92 -0.02 -1.26 -4.14 135.00 140.65 1qae n PRO 195 Ca 0.13 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1qae n PRO 195 Cb 0.43 -2.07 0.25 0.00 -0.02 0.00 0.00 33.50 32.09 1qae n PRO 195 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1qae h LYS 196 N 1.18 0.77 -0.76 -0.52 1.63 -1.93 -2.14 116.57 114.79 1qae h LYS 196 Ca -0.46 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1qae h LYS 196 Cb 1.35 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1qae h LYS 196 CO 0.55 0.51 0.00 0.41 -3.45 0.00 0.00 179.45 177.46 1qae n GLY 197 N -1.33 2.36 3.77 5.01 0.00 -1.26 -4.00 105.19 109.74 1qae n GLY 197 Ca 0.19 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1qae n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae s ALA 198 N -2.02 3.13 -0.43 4.61 0.00 -0.81 -4.98 121.76 121.26 1qae s ALA 198 Ca 0.32 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 1qae s ALA 198 Cb 0.24 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1qae s ALA 198 CO 0.09 -0.73 0.76 0.34 0.00 0.00 0.00 175.76 176.23 1qae s ASP 199 N -1.03 6.43 0.63 0.00 2.15 -1.26 -4.30 116.67 119.28 1qae s ASP 199 Ca 0.59 -0.04 0.29 0.00 0.43 0.00 0.00 52.55 53.82 1qae s ASP 199 Cb -0.34 -2.38 1.54 0.00 -0.30 0.00 0.00 42.92 41.45 1qae s ASP 199 CO 0.42 -0.85 1.91 2.19 -0.17 0.00 0.00 175.17 178.67 1qae h PHE 200 N 8.86 0.00 0.00 -5.34 -5.15 -1.94 -0.25 116.94 113.11 1qae h PHE 200 Ca -0.25 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.52 1qae h PHE 200 Cb 1.09 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.26 1qae h PHE 200 CO 0.79 0.00 -0.03 0.00 -2.00 0.00 0.00 178.31 177.07 1qae n GLN 202 N -3.32 1.26 -0.66 0.00 1.13 -0.11 -3.87 117.38 111.81 1qae n GLN 202 Ca -0.02 -0.38 0.02 0.00 -1.94 0.00 0.00 57.00 54.68 1qae n GLN 202 Cb 0.16 -1.36 0.20 0.00 0.11 0.00 0.00 30.24 29.35 1qae n GLN 202 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1qae n PHE 203 N -0.43 0.40 -2.56 1.08 3.01 -0.76 -5.02 117.46 113.18 1qae n PHE 203 Ca 0.16 -1.52 -0.41 0.00 1.01 0.00 0.00 57.45 56.69 1qae n PHE 203 Cb 0.17 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.26 1qae n PHE 203 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1qae s ARG 204 N -3.23 4.59 0.22 -1.08 0.52 -1.25 -1.65 118.95 117.06 1qae s ARG 204 Ca 0.40 1.64 0.04 0.00 -0.52 0.00 0.00 55.73 57.30 1qae s ARG 204 Cb 0.38 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 1qae s ARG 204 CO -0.04 0.04 0.14 1.33 0.02 0.00 0.00 175.30 176.79 1qae n VAL 205 N 2.86 0.00 -3.88 3.52 0.24 -0.29 -4.93 118.33 115.85 1qae n VAL 205 Ca 0.04 -1.50 -0.22 0.00 -2.04 0.00 0.00 64.34 60.63 1qae n VAL 205 Cb 0.47 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.50 1qae n VAL 205 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qae s THR 206 N -2.72 5.24 0.28 3.34 -4.23 -1.26 -4.23 115.64 112.05 1qae s THR 206 Ca 0.20 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 1qae s THR 206 Cb 0.01 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.05 1qae s THR 206 CO 0.14 -0.36 1.71 0.58 -0.54 0.00 0.00 174.62 176.16 1qae h VAL 207 N 1.12 1.27 -0.59 2.29 2.07 -1.78 -2.98 116.25 117.65 1qae h VAL 207 Ca -0.52 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 65.75 1qae h VAL 207 Cb 1.23 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1qae h VAL 207 CO 0.61 0.41 0.34 -0.78 0.02 0.00 0.00 177.57 178.17 1qae h ASP 208 N 0.43 0.52 -0.80 0.57 3.58 -1.15 -1.18 116.42 118.39 1qae h ASP 208 Ca 0.06 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.55 1qae h ASP 208 Cb 0.69 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1qae h ASP 208 CO 0.05 0.35 0.52 -0.08 -2.88 0.00 0.00 179.24 177.20 1qae h GLU 209 N 0.65 1.00 -0.51 0.28 4.81 -1.78 -0.44 114.58 118.59 1qae h GLU 209 Ca 0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1qae h GLU 209 Cb 0.10 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1qae h GLU 209 CO -0.14 0.66 0.22 0.82 -0.73 0.00 0.00 179.01 179.84 1qae h ILE 210 N 1.03 1.21 -0.75 2.32 2.04 -1.36 -2.05 117.51 119.94 1qae h ILE 210 Ca 0.31 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1qae h ILE 210 Cb -0.05 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1qae h ILE 210 CO -0.09 0.24 0.36 -0.33 0.00 0.00 0.00 178.15 178.33 1qae h GLU 211 N 0.68 1.08 -0.22 2.37 5.08 -0.70 -0.83 114.58 122.04 1qae h GLU 211 Ca 0.17 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1qae h GLU 211 Cb 0.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1qae h GLU 211 CO -0.02 0.85 -0.18 0.87 -1.00 0.00 0.00 179.01 179.53 1qae h LYS 212 N 1.06 0.37 0.00 2.33 1.79 -0.87 -0.06 116.57 121.20 1qae h LYS 212 Ca 0.26 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1qae h LYS 212 Cb 0.12 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1qae h LYS 212 CO -0.03 0.55 -0.65 0.54 -1.08 0.00 0.00 179.45 178.77 1qae n ARG 213 N -4.19 0.20 -0.02 3.15 1.74 -0.79 -4.33 116.66 112.42 1qae n ARG 213 Ca -0.00 0.04 0.01 0.00 -0.77 0.00 0.00 57.85 57.14 1qae n ARG 213 Cb 0.33 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1qae n ARG 213 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qae n THR 214 N -1.90 0.20 -0.71 0.55 -2.24 -0.35 -4.84 114.28 104.99 1qae n THR 214 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qae n THR 214 Cb 0.41 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1qae n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qae n GLY 215 N 2.18 0.76 3.98 3.38 0.00 -0.05 -5.04 105.19 110.40 1qae n GLY 215 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1qae n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qae s LEU 216 N 0.00 3.94 -0.25 0.99 1.43 -1.24 -4.66 118.68 118.90 1qae s LEU 216 Ca 0.00 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1qae s LEU 216 Cb 0.00 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.40 1qae s LEU 216 CO 0.00 -0.45 -0.08 -0.63 0.23 0.00 0.00 176.35 175.42 1qae s ILE 217 N -2.25 1.85 0.43 -0.59 1.01 -0.59 -4.54 121.20 116.52 1qae s ILE 217 Ca 0.44 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1qae s ILE 217 Cb -0.10 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 1qae s ILE 217 CO 0.33 -0.06 0.86 -0.63 0.00 0.00 0.00 174.94 175.44 1qae s ILE 218 N 1.25 4.62 -1.44 2.92 -1.09 -1.26 -1.99 121.20 124.21 1qae s ILE 218 Ca -0.07 1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 59.31 1qae s ILE 218 Cb -0.19 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1qae s ILE 218 CO -0.06 -0.48 0.61 0.79 -1.23 0.00 0.00 174.94 174.57 1qae n TRP 219 N -1.12 -1.82 0.24 3.97 8.01 -1.25 -4.82 117.44 120.66 1qae n TRP 219 Ca 0.05 0.80 0.02 0.00 -1.31 0.00 0.00 57.50 57.06 1qae n TRP 219 Cb 0.54 -3.85 0.13 0.00 -2.01 0.00 0.00 31.31 26.12 1qae n TRP 219 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qae n ALA 220 N -4.41 1.44 0.96 6.99 0.00 -1.20 -2.36 120.51 121.93 1qae n ALA 220 Ca -0.21 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1qae n ALA 220 Cb 0.64 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 19.07 1qae n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qae n GLY 221 N -0.85 0.66 3.79 0.00 0.00 0.07 -4.96 105.19 103.89 1qae n GLY 221 Ca 0.02 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1qae n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qae s LEU 222 N -2.05 3.96 0.63 0.99 1.43 -1.00 -4.91 118.68 117.74 1qae s LEU 222 Ca 0.24 2.06 -0.18 0.00 -1.03 0.00 0.00 54.13 55.22 1qae s LEU 222 Cb 0.19 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1qae s LEU 222 CO 0.36 -0.75 1.16 -2.65 0.23 0.00 0.00 176.35 174.69 1qae n PRO 223 N -0.62 1.02 -0.19 1.29 -0.02 -1.26 -4.77 135.00 130.46 1qae n PRO 223 Ca 0.08 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1qae n PRO 223 Cb 0.51 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.70 1qae n PRO 223 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1qae h ASP 224 N 0.51 0.02 -0.74 2.55 3.32 -1.99 -2.15 116.42 117.93 1qae h ASP 224 Ca -0.50 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1qae h ASP 224 Cb 1.35 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 41.00 1qae h ASP 224 CO 0.52 0.03 0.42 -2.24 -1.72 0.00 0.00 179.24 176.25 1qae h ASP 225 N 0.26 0.92 -0.52 6.45 2.03 -1.99 -1.10 116.42 122.47 1qae h ASP 225 Ca 0.29 -0.07 -0.08 0.00 -0.73 0.00 0.00 57.03 56.44 1qae h ASP 225 Cb 0.42 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 1qae h ASP 225 CO -0.37 0.73 0.01 0.58 -1.03 0.00 0.00 179.24 179.17 1qae h VAL 226 N 1.05 1.26 0.14 4.15 2.07 -1.77 -1.36 116.25 121.78 1qae h VAL 226 Ca 0.27 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1qae h VAL 226 Cb 0.01 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1qae h VAL 226 CO -0.05 0.38 -0.07 1.56 0.02 0.00 0.00 177.57 179.42 1qae h GLN 227 N 0.78 -0.18 -0.98 1.57 4.20 -0.96 -1.44 115.11 118.11 1qae h GLN 227 Ca 0.15 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.89 1qae h GLN 227 Cb 0.50 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1qae h GLN 227 CO 0.02 0.04 0.64 0.00 -0.67 0.00 0.00 178.83 178.86 1qae h ALA 228 N 0.47 1.33 -0.01 3.87 0.00 -1.18 -2.19 119.26 121.55 1qae h ALA 228 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qae h ALA 228 Cb 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qae h ALA 228 CO 0.03 0.60 -0.01 0.77 0.00 0.00 0.00 179.25 180.64 1qae h SER 229 N 1.28 0.02 0.69 0.00 0.02 -1.13 -3.39 113.55 111.04 1qae h SER 229 Ca 0.37 -0.53 -0.18 0.00 -0.84 0.00 0.00 61.79 60.61 1qae h SER 229 Cb -0.09 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1qae h SER 229 CO -0.10 0.55 -1.44 -0.07 -1.14 0.00 0.00 176.83 174.63 1qae h LEU 230 N -0.51 0.00 -1.83 5.07 3.38 -1.27 -3.38 115.31 116.78 1qae h LEU 230 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qae h LEU 230 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qae h LEU 230 CO 0.00 0.64 0.00 0.11 0.09 0.00 0.00 178.44 179.28 1qae h LYS 231 N 0.00 0.00 -0.41 1.13 1.57 -1.59 -1.61 116.57 115.66 1qae h LYS 231 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1qae h LYS 231 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.95 1qae h LYS 231 CO 0.05 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.36 1qae n SER 232 N -2.71 3.27 -4.17 0.86 7.64 -1.26 -0.48 113.62 116.77 1qae n SER 232 Ca -0.01 -1.93 -0.34 0.00 1.01 0.00 0.00 58.87 57.60 1qae n SER 232 Cb 0.14 -0.27 -0.15 0.00 -1.01 0.00 0.00 64.21 62.92 1qae n SER 232 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1qae s LYS 233 N -1.20 2.97 0.37 1.43 2.47 -0.61 -4.99 119.74 120.19 1qae s LYS 233 Ca 0.34 -0.87 -0.28 0.00 -1.56 0.00 0.00 55.97 53.60 1qae s LYS 233 Cb 0.19 -2.76 -0.11 0.00 -1.46 0.00 0.00 37.83 33.69 1qae s LYS 233 CO 0.26 -0.28 1.48 -2.14 0.16 0.00 0.00 175.35 174.83 1qae s PRO 234 N 1.32 4.12 0.87 4.03 0.02 -1.26 -4.84 135.00 139.26 1qae s PRO 234 Ca 0.03 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.47 1qae s PRO 234 Cb -0.15 -2.97 0.14 0.00 0.02 0.00 0.00 34.50 31.54 1qae s PRO 234 CO -0.09 -0.51 1.23 0.20 -0.33 0.00 0.00 177.00 177.49 1qae s GLY 235 N -0.16 1.70 0.00 0.52 0.00 -1.26 -5.01 107.32 103.10 1qae s GLY 235 Ca 0.53 -0.98 0.14 0.00 0.00 0.00 0.00 44.72 44.40 1qae s GLY 235 CO 0.63 -0.36 1.14 3.33 0.00 0.00 0.00 173.10 177.84 1qae n VAL 236 N -3.48 0.52 -0.24 1.40 0.24 -1.18 -4.58 118.33 111.01 1qae n VAL 236 Ca 0.12 -0.76 0.05 0.00 -2.04 0.00 0.00 64.34 61.71 1qae n VAL 236 Cb 0.60 0.88 0.30 0.00 -1.47 0.00 0.00 33.84 34.15 1qae n VAL 236 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1qae h LEU 237 N 2.67 0.78 -2.28 1.34 5.85 -1.79 -1.85 115.31 120.04 1qae h LEU 237 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1qae h LEU 237 Cb 0.70 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1qae h LEU 237 CO 0.00 0.50 0.19 -0.65 -0.34 0.00 0.00 178.44 178.15 1qae h PRO 238 N 0.89 0.00 0.00 5.25 0.11 -1.81 0.51 132.00 136.96 1qae h PRO 238 Ca 0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1qae h PRO 238 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1qae h PRO 238 CO -0.12 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 178.38 1qae h GLU 239 N 0.00 0.00 -0.00 1.05 3.07 -1.52 0.95 114.58 118.12 1qae h GLU 239 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1qae h GLU 239 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1qae h GLU 239 CO -0.00 0.22 -0.09 1.28 -1.40 0.00 0.00 179.01 179.01 1qae n LEU 240 N -4.17 0.31 -1.06 1.33 4.77 0.16 -3.20 117.00 115.14 1qae n LEU 240 Ca -0.02 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1qae n LEU 240 Cb 0.28 -0.24 0.25 0.00 -2.33 0.00 0.00 43.42 41.39 1qae n LEU 240 CO 0.36 0.06 0.72 0.23 -1.33 0.00 0.00 177.39 177.43 1qae n MET 241 N -1.11 3.08 -0.24 3.23 2.81 0.24 -4.95 117.12 120.17 1qae n MET 241 Ca 0.13 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.52 1qae n MET 241 Cb 0.27 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1qae n MET 241 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qae n GLY 242 N 0.75 0.79 3.87 3.03 0.00 -1.08 -4.97 105.19 107.58 1qae n GLY 242 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1qae n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qae s LYS 244 N -3.04 2.18 0.00 0.00 -0.14 -1.26 -4.32 119.74 113.15 1qae s LYS 244 Ca 0.50 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.19 1qae s LYS 244 Cb -0.11 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1qae s LYS 244 CO 0.22 0.56 0.00 0.09 -0.76 0.00 0.00 175.35 175.45