#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2psx s ILE 17 N 0.00 5.17 -1.42 1.39 1.01 0.12 -4.11 121.20 123.36 2psx s ILE 17 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 2psx s ILE 17 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2psx s ILE 17 CO 0.00 0.27 0.18 -3.20 0.00 0.00 0.00 174.94 172.19 2psx n ASN 18 N 4.12 -5.21 -3.13 3.58 4.05 -1.26 -3.14 115.26 114.28 2psx n ASN 18 Ca -0.07 -0.09 -0.08 0.00 0.45 0.00 0.00 54.58 54.79 2psx n ASN 18 Cb 0.51 -4.20 0.03 0.00 1.23 0.00 0.00 39.78 37.35 2psx n ASN 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2psx n GLY 19 N -1.15 1.70 3.34 8.20 0.00 -1.26 -4.89 105.19 111.14 2psx n GLY 19 Ca -0.17 -2.13 -0.18 0.00 0.00 0.00 0.00 46.02 43.54 2psx n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2psx s SER 20 N -2.46 2.50 0.25 1.61 1.04 0.11 -4.88 113.70 111.87 2psx s SER 20 Ca 0.25 -1.03 -0.31 0.00 0.48 0.00 0.00 55.95 55.33 2psx s SER 20 Cb -0.02 -0.12 -0.12 0.00 0.10 0.00 0.00 66.02 65.86 2psx s SER 20 CO 0.16 -0.20 1.66 0.47 0.98 0.00 0.00 173.24 176.30 2psx n ASP 21 N -0.38 3.89 -4.75 7.02 8.00 -1.26 0.28 116.55 129.35 2psx n ASP 21 Ca -0.08 1.10 -0.32 0.00 0.71 0.00 0.00 54.79 56.21 2psx n ASP 21 Cb 0.61 -1.58 0.10 0.00 -0.02 0.00 0.00 41.12 40.22 2psx n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2psx s ASP 23 N -3.06 7.14 0.48 0.00 1.01 -1.26 -4.99 116.67 115.99 2psx s ASP 23 Ca 0.64 1.38 -0.21 0.00 0.71 0.00 0.00 52.55 55.07 2psx s ASP 23 Cb -0.19 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.14 2psx s ASP 23 CO 0.53 -0.28 0.60 0.23 0.21 0.00 0.00 175.17 176.46 2psx n MET 24 N 4.35 0.65 -0.10 8.23 2.81 -1.26 -2.16 117.12 129.64 2psx n MET 24 Ca 0.04 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 2psx n MET 24 Cb 0.50 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 2psx n MET 24 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2psx n HIS 25 N -1.12 0.00 -3.32 2.03 8.25 -1.26 -4.98 115.22 114.82 2psx n HIS 25 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 2psx n HIS 25 Cb 0.42 -0.46 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 2psx n HIS 25 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2psx s THR 26 N -2.20 4.96 -0.80 1.59 -4.23 -0.92 -4.31 115.64 109.73 2psx s THR 26 Ca 0.00 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2psx s THR 26 Cb 0.00 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 2psx s THR 26 CO 0.00 -0.24 0.67 0.00 -0.54 0.00 0.00 174.62 174.51 2psx n GLN 27 N -0.64 -4.05 0.00 3.99 3.00 -1.26 -4.89 117.38 113.54 2psx n GLN 27 Ca -0.00 0.58 0.10 0.00 -0.01 0.00 0.00 57.00 57.66 2psx n GLN 27 Cb 0.53 -4.73 0.59 0.00 0.00 0.00 0.00 30.24 26.63 2psx n GLN 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2psx n PRO 28 N -3.05 0.73 0.00 -1.09 -0.04 -1.26 -2.06 135.00 128.23 2psx n PRO 28 Ca -0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2psx n PRO 28 Cb 0.61 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 2psx n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2psx n TRP 29 N -0.92 0.00 -2.24 0.54 2.14 -1.02 -1.06 117.44 114.88 2psx n TRP 29 Ca 0.15 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.30 2psx n TRP 29 Cb 0.07 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.51 2psx n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2psx s GLN 30 N -2.76 4.37 0.24 -2.67 2.00 -0.88 -0.92 119.66 119.05 2psx s GLN 30 Ca 0.13 2.00 0.08 0.00 -2.00 0.00 0.00 55.36 55.58 2psx s GLN 30 Cb 0.17 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 2psx s GLN 30 CO 0.72 -0.33 -0.13 0.00 -0.50 0.00 0.00 175.29 175.04 2psx s ALA 31 N 0.74 2.27 -0.02 1.58 0.00 -0.05 -4.32 121.76 121.96 2psx s ALA 31 Ca 0.61 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.83 2psx s ALA 31 Cb -0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2psx s ALA 31 CO 0.33 0.08 -0.14 0.00 0.00 0.00 0.00 175.76 176.03 2psx s ALA 32 N -2.88 1.18 -0.38 0.00 0.00 -0.45 -1.97 121.76 117.26 2psx s ALA 32 Ca 0.26 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 2psx s ALA 32 Cb -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2psx s ALA 32 CO 0.10 0.25 0.24 -0.51 0.00 0.00 0.00 175.76 175.84 2psx s LEU 33 N -0.14 4.78 0.12 0.00 1.02 -1.08 -1.44 118.68 121.94 2psx s LEU 33 Ca 0.02 -0.87 0.03 0.00 0.02 0.00 0.00 54.13 53.33 2psx s LEU 33 Cb -0.07 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2psx s LEU 33 CO 0.00 -0.38 0.13 -0.76 0.02 0.00 0.00 176.35 175.37 2psx s LEU 34 N 1.62 3.90 0.02 1.79 1.43 -0.41 -1.42 118.68 125.60 2psx s LEU 34 Ca 0.04 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 2psx s LEU 34 Cb -0.19 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 2psx s LEU 34 CO 0.08 0.12 -0.20 -0.22 0.23 0.00 0.00 176.35 176.36 2psx s LEU 35 N -2.75 2.11 0.22 1.79 2.96 -0.08 -0.97 118.68 121.95 2psx s LEU 35 Ca 0.31 -0.44 -0.32 0.00 -0.22 0.00 0.00 54.13 53.45 2psx s LEU 35 Cb -0.11 -0.99 -0.13 0.00 0.50 0.00 0.00 46.19 45.45 2psx s LEU 35 CO 0.24 0.20 1.57 0.54 -1.32 0.00 0.00 176.35 177.57 2psx n ARG 36 N 2.20 2.35 0.08 1.98 5.12 -1.26 0.87 116.66 128.01 2psx n ARG 36 Ca -0.16 0.84 -0.03 0.00 -1.93 0.00 0.00 57.85 56.57 2psx n ARG 36 Cb 0.53 -2.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.21 2psx n ARG 36 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2psx h PRO 37 N 5.44 -0.22 -1.63 5.56 0.11 -2.05 -3.42 132.00 135.79 2psx h PRO 37 Ca -0.45 0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.24 2psx h PRO 37 Cb 1.24 0.05 -0.38 0.00 0.11 0.00 0.00 31.00 32.02 2psx h PRO 37 CO 0.85 -0.14 -1.14 0.09 -0.21 0.00 0.00 178.00 177.45 2psx n ASN 38 N -2.99 0.72 -4.54 -2.05 3.02 -0.75 -5.07 115.26 103.59 2psx n ASN 38 Ca -0.03 -2.98 -0.43 0.00 -0.03 0.00 0.00 54.58 51.11 2psx n ASN 38 Cb 0.09 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 2psx n ASN 38 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2psx s GLN 39 N -2.37 3.42 -0.65 3.52 2.00 0.25 -4.82 119.66 121.02 2psx s GLN 39 Ca 0.36 -0.07 -0.27 0.00 -2.00 0.00 0.00 55.36 53.38 2psx s GLN 39 Cb 0.37 -3.97 0.01 0.00 0.80 0.00 0.00 33.01 30.22 2psx s GLN 39 CO -0.05 -1.26 1.48 -1.17 -0.50 0.00 0.00 175.29 173.79 2psx s LEU 40 N 3.63 3.27 -0.10 3.68 1.98 -1.26 -0.90 118.68 128.98 2psx s LEU 40 Ca 0.32 0.00 0.02 0.00 -2.89 0.00 0.00 54.13 51.59 2psx s LEU 40 Cb -0.12 -2.71 -0.01 0.00 0.66 0.00 0.00 46.19 44.01 2psx s LEU 40 CO 0.23 -1.95 -0.17 -0.72 -1.89 0.00 0.00 176.35 171.85 2psx s TYR 41 N 6.75 2.70 0.42 5.38 -0.85 -0.51 -5.01 117.35 126.24 2psx s TYR 41 Ca 0.49 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2psx s TYR 41 Cb -0.10 -1.75 0.00 0.00 0.38 0.00 0.00 41.96 40.48 2psx s TYR 41 CO 0.20 -0.19 0.00 0.00 -1.52 0.00 0.00 175.55 174.03 2psx s GLY 43 N -5.51 2.23 0.30 0.00 0.00 0.38 -2.62 107.32 102.11 2psx s GLY 43 Ca 0.00 -1.51 -0.18 0.00 0.00 0.00 0.00 44.72 43.04 2psx s GLY 43 CO 0.00 -1.87 0.68 0.00 0.00 0.00 0.00 173.10 171.91 2psx s ALA 44 N -2.71 -0.85 -0.03 3.20 0.00 -0.83 -3.74 121.76 116.79 2psx s ALA 44 Ca 0.41 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 2psx s ALA 44 Cb -0.03 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.99 2psx s ALA 44 CO 0.25 -0.98 0.01 0.08 0.00 0.00 0.00 175.76 175.11 2psx s VAL 45 N -3.55 0.16 -0.30 0.00 1.01 0.73 -0.87 120.40 117.58 2psx s VAL 45 Ca 0.15 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 2psx s VAL 45 Cb -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2psx s VAL 45 CO 0.09 0.16 1.28 -0.22 0.00 0.00 0.00 175.10 176.41 2psx s LEU 46 N 1.24 3.89 0.00 3.92 2.96 -0.09 0.30 118.68 130.90 2psx s LEU 46 Ca -0.07 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2psx s LEU 46 Cb -0.13 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.08 2psx s LEU 46 CO -0.02 -1.06 0.88 1.33 -1.32 0.00 0.00 176.35 176.15 2psx n VAL 47 N 6.17 0.58 -3.58 1.68 0.24 -0.60 -1.29 118.33 121.53 2psx n VAL 47 Ca 0.14 -0.79 -0.11 0.00 -2.04 0.00 0.00 64.34 61.54 2psx n VAL 47 Cb 0.47 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 2psx n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2psx s HIS 48 N -0.69 -0.43 0.56 6.34 5.65 -1.01 -4.65 115.29 121.06 2psx s HIS 48 Ca 0.05 0.80 0.45 0.00 0.25 0.00 0.00 55.06 56.62 2psx s HIS 48 Cb 0.03 0.43 1.62 0.00 -1.18 0.00 0.00 32.58 33.48 2psx s HIS 48 CO 0.04 -0.36 1.59 -1.35 -0.65 0.00 0.00 174.74 174.01 2psx h PRO 49 N 2.91 0.00 0.00 2.88 0.11 -1.96 -1.06 132.00 134.88 2psx h PRO 49 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2psx h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2psx h PRO 49 CO 0.28 0.00 -0.15 0.94 -0.21 0.00 0.00 178.00 178.86 2psx n GLN 50 N -3.89 0.82 -4.39 1.05 7.27 -1.26 -0.59 117.38 116.38 2psx n GLN 50 Ca 0.39 -1.22 -0.21 0.00 0.07 0.00 0.00 57.00 56.03 2psx n GLN 50 Cb 1.82 -0.78 -0.16 0.00 2.41 0.00 0.00 30.24 33.54 2psx n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2psx s TRP 51 N -0.71 0.97 0.31 3.69 0.52 -0.40 -1.51 118.94 121.80 2psx s TRP 51 Ca 0.06 -0.25 0.09 0.00 0.02 0.00 0.00 56.10 56.01 2psx s TRP 51 Cb 0.05 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.62 2psx s TRP 51 CO 0.01 -0.12 0.08 -0.51 0.02 0.00 0.00 176.95 176.43 2psx s LEU 52 N 0.28 3.25 -0.01 2.99 1.43 0.84 -1.56 118.68 125.91 2psx s LEU 52 Ca -0.05 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 2psx s LEU 52 Cb -0.10 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2psx s LEU 52 CO 0.01 -0.16 -0.17 -0.22 0.23 0.00 0.00 176.35 176.04 2psx s LEU 53 N -3.77 2.05 0.34 1.79 2.96 0.15 -1.21 118.68 120.99 2psx s LEU 53 Ca 0.35 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 2psx s LEU 53 Cb -0.04 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.81 2psx s LEU 53 CO 0.21 0.19 0.64 0.28 -1.32 0.00 0.00 176.35 176.36 2psx s THR 54 N -0.46 0.00 0.43 3.68 -1.32 -0.67 -0.19 115.64 117.11 2psx s THR 54 Ca 0.06 -1.25 -0.24 0.00 -1.21 0.00 0.00 61.69 59.06 2psx s THR 54 Cb -0.07 -2.63 -0.08 0.00 -1.51 0.00 0.00 72.50 68.22 2psx s THR 54 CO -0.00 0.00 1.13 0.00 -2.21 0.00 0.00 174.62 173.54 2psx s ALA 55 N -2.93 3.03 0.38 11.08 0.00 -1.26 0.51 121.76 132.58 2psx s ALA 55 Ca 0.21 0.86 0.18 0.00 0.00 0.00 0.00 51.96 53.22 2psx s ALA 55 Cb -0.03 -3.35 1.02 0.00 0.00 0.00 0.00 23.12 20.76 2psx s ALA 55 CO 0.14 -0.50 1.94 0.00 0.00 0.00 0.00 175.76 177.33 2psx h ALA 56 N 2.26 1.40 0.00 0.00 0.00 -1.73 -2.06 119.26 119.13 2psx h ALA 56 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2psx h ALA 56 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2psx h ALA 56 CO 0.61 0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.77 2psx n HIS 57 N -3.95 0.00 -0.03 0.00 1.44 -1.26 -2.62 115.22 108.80 2psx n HIS 57 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 2psx n HIS 57 Cb 0.32 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.69 2psx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2psx n ARG 59 N 1.55 2.46 -3.94 0.00 0.63 -1.08 -5.00 116.66 111.28 2psx n ARG 59 Ca 0.22 0.88 -0.10 0.00 -0.92 0.00 0.00 57.85 57.93 2psx n ARG 59 Cb 0.61 -2.66 -0.12 0.00 0.45 0.00 0.00 32.46 30.75 2psx n ARG 59 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2psx s LYS 60 N 0.40 0.26 -0.11 -0.14 2.47 -1.26 -5.08 119.74 116.27 2psx s LYS 60 Ca 0.72 -0.44 -0.27 0.00 -1.56 0.00 0.00 55.97 54.42 2psx s LYS 60 Cb -0.58 0.09 -0.26 0.00 -1.46 0.00 0.00 37.83 35.63 2psx s LYS 60 CO 0.41 -0.04 0.84 -0.22 0.16 0.00 0.00 175.35 176.50 2psx h LYS 61 N 4.98 0.06 -5.22 4.03 1.63 -2.02 -3.45 116.57 116.58 2psx h LYS 61 Ca -0.30 -0.10 -0.66 0.00 -0.85 0.00 0.00 60.65 58.74 2psx h LYS 61 Cb 1.21 0.03 -0.28 0.00 -0.60 0.00 0.00 32.23 32.59 2psx h LYS 61 CO 0.43 1.00 -0.78 0.08 -3.45 0.00 0.00 179.45 176.74 2psx s VAL 62 N -2.46 2.93 0.02 2.00 1.01 -1.26 -5.04 120.40 117.60 2psx s VAL 62 Ca -0.18 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2psx s VAL 62 Cb -0.02 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.21 2psx s VAL 62 CO 0.72 0.51 1.05 0.72 0.00 0.00 0.00 175.10 178.10 2psx s PHE 63 N 0.69 -0.17 0.29 5.22 -0.12 -1.26 -4.86 117.98 117.78 2psx s PHE 63 Ca -0.06 -0.01 0.11 0.00 -0.05 0.00 0.00 56.93 56.91 2psx s PHE 63 Cb -0.15 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2psx s PHE 63 CO 0.02 -0.54 -0.13 1.03 -0.05 0.00 0.00 175.22 175.55 2psx s ARG 64 N -2.92 1.85 -0.15 1.99 1.81 -0.14 -3.97 118.95 117.41 2psx s ARG 64 Ca 0.10 -1.72 0.01 0.00 -1.72 0.00 0.00 55.73 52.40 2psx s ARG 64 Cb 0.00 -1.85 0.02 0.00 -0.45 0.00 0.00 34.95 32.67 2psx s ARG 64 CO -0.03 0.30 -0.17 0.08 -0.68 0.00 0.00 175.30 174.80 2psx s VAL 65 N -2.49 1.76 -0.16 3.52 1.01 -0.07 -1.29 120.40 122.68 2psx s VAL 65 Ca 0.31 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2psx s VAL 65 Cb -0.04 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2psx s VAL 65 CO 0.16 0.49 -0.12 -0.60 0.00 0.00 0.00 175.10 175.04 2psx s ARG 66 N 1.26 3.33 0.22 2.72 3.52 -0.52 -0.32 118.95 129.16 2psx s ARG 66 Ca 0.02 -0.69 0.08 0.00 -0.13 0.00 0.00 55.73 55.01 2psx s ARG 66 Cb -0.14 -2.72 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 2psx s ARG 66 CO -0.09 0.05 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.80 2psx s LEU 67 N 0.78 2.55 -1.39 -0.88 1.43 0.42 -1.34 118.68 120.25 2psx s LEU 67 Ca -0.05 -1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 51.92 2psx s LEU 67 Cb -0.15 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.36 2psx s LEU 67 CO 0.01 -0.16 1.16 0.61 0.23 0.00 0.00 176.35 178.20 2psx n GLY 69 N -0.44 -0.54 2.90 -3.19 0.00 -1.25 -0.55 105.19 102.12 2psx n GLY 69 Ca -0.07 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2psx n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2psx s HIS 70 N -3.32 1.13 -0.14 1.61 5.04 -1.26 -2.60 115.29 115.75 2psx s HIS 70 Ca 0.60 -0.44 -0.19 0.00 -1.54 0.00 0.00 55.06 53.48 2psx s HIS 70 Cb -0.27 -0.96 -0.17 0.00 0.04 0.00 0.00 32.58 31.22 2psx s HIS 70 CO 0.74 -0.34 0.43 -0.92 -2.34 0.00 0.00 174.74 172.31 2psx h TYR 71 N 7.67 0.00 -4.45 3.88 3.20 -1.95 -3.48 116.97 121.85 2psx h TYR 71 Ca -0.30 0.00 -0.48 0.00 3.14 0.00 0.00 58.73 61.09 2psx h TYR 71 Cb 1.15 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.52 2psx h TYR 71 CO 0.48 0.75 0.38 -1.54 -1.64 0.00 0.00 178.16 176.59 2psx s SER 72 N -6.11 4.71 -0.10 -2.11 1.04 -1.26 -1.50 113.70 108.37 2psx s SER 72 Ca -0.15 1.05 -0.27 0.00 0.48 0.00 0.00 55.95 57.06 2psx s SER 72 Cb -0.01 -1.71 -0.26 0.00 0.10 0.00 0.00 66.02 64.14 2psx s SER 72 CO 0.47 -1.80 0.86 0.25 0.98 0.00 0.00 173.24 174.00 2psx h LEU 73 N -0.98 0.12-10.18 2.42 6.46 -1.26 -3.46 115.31 108.44 2psx h LEU 73 Ca -0.46 -0.93 -0.54 0.00 -0.12 0.00 0.00 57.88 55.83 2psx h LEU 73 Cb 1.29 -0.04 0.17 0.00 -0.73 0.00 0.00 40.66 41.35 2psx h LEU 73 CO 0.63 1.04 0.39 -0.44 -0.62 0.00 0.00 178.44 179.44 2psx s SER 74 N -6.35 3.99 0.00 1.25 0.01 -1.26 -4.83 113.70 106.51 2psx s SER 74 Ca -0.17 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.49 2psx s SER 74 Cb -0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2psx s SER 74 CO 0.72 -2.40 0.21 -0.81 0.41 0.00 0.00 173.24 171.37 2psx n PRO 74 N -2.84 0.41 -1.66 12.44 -0.04 -1.26 -4.84 135.00 137.21 2psx n PRO 74 Ca 0.14 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.13 2psx n PRO 74 Cb 0.50 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 2psx n PRO 74 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2psx n VAL 75 N 0.27 0.59 -1.63 0.52 0.31 -1.26 -4.87 118.33 112.27 2psx n VAL 75 Ca 0.00 -0.14 -0.43 0.00 -0.01 0.00 0.00 64.34 63.76 2psx n VAL 75 Cb 0.10 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 2psx n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2psx n TYR 76 N 7.30 1.52 -3.87 3.52 4.19 -1.26 -4.95 117.16 123.61 2psx n TYR 76 Ca 0.23 0.62 -0.11 0.00 3.31 0.00 0.00 57.90 61.95 2psx n TYR 76 Cb 0.32 -2.29 -0.11 0.00 0.49 0.00 0.00 39.34 37.75 2psx n TYR 76 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 2psx s GLU 77 N -1.77 0.36 0.23 2.98 2.02 -1.26 -5.13 118.70 116.13 2psx s GLU 77 Ca 0.59 -0.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.06 2psx s GLU 77 Cb -0.62 0.15 -0.09 0.00 0.10 0.00 0.00 34.13 33.67 2psx s GLU 77 CO 0.60 -0.08 0.91 -1.54 0.02 0.00 0.00 175.26 175.17 2psx s SER 78 N -0.92 7.58 0.00 -0.19 1.04 -1.26 -3.04 113.70 116.92 2psx s SER 78 Ca -0.10 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2psx s SER 78 Cb -0.06 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2psx s SER 78 CO 0.01 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2psx n GLY 79 N 1.46 1.97 3.77 7.32 0.00 -1.26 -4.99 105.19 113.46 2psx n GLY 79 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2psx n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2psx s GLN 80 N -0.95 3.82 -0.06 1.61 0.74 -1.07 -4.48 119.66 119.27 2psx s GLN 80 Ca 0.00 1.80 -0.04 0.00 0.05 0.00 0.00 55.36 57.17 2psx s GLN 80 Cb 0.00 -2.47 0.03 0.00 1.10 0.00 0.00 33.01 31.66 2psx s GLN 80 CO 0.00 -0.50 0.15 -0.65 -0.55 0.00 0.00 175.29 173.74 2psx s GLN 81 N -2.60 0.14 -0.03 1.67 -0.21 0.28 -4.97 119.66 113.94 2psx s GLN 81 Ca 0.62 0.30 0.04 0.00 0.02 0.00 0.00 55.36 56.34 2psx s GLN 81 Cb -0.29 -0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.64 2psx s GLN 81 CO 0.36 -0.10 -0.14 -1.64 -2.12 0.00 0.00 175.29 171.66 2psx s MET 82 N 0.66 2.45 0.34 2.91 -1.94 -1.26 -0.44 119.30 122.01 2psx s MET 82 Ca -0.05 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.25 2psx s MET 82 Cb -0.06 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 2psx s MET 82 CO -0.03 0.61 0.32 1.19 -0.01 0.00 0.00 175.02 177.10 2psx n PHE 83 N 2.08 -0.92 -4.16 -0.03 3.01 0.56 -4.98 117.46 113.01 2psx n PHE 83 Ca -0.17 -2.72 -0.17 0.00 1.01 0.00 0.00 57.45 55.40 2psx n PHE 83 Cb 0.52 0.34 -0.12 0.00 -0.01 0.00 0.00 39.48 40.22 2psx n PHE 83 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2psx s GLN 84 N -3.25 0.79 -0.31 -1.08 -0.21 -1.26 -0.89 119.66 113.44 2psx s GLN 84 Ca 0.38 -0.95 -0.26 0.00 0.02 0.00 0.00 55.36 54.55 2psx s GLN 84 Cb 0.01 -0.75 0.01 0.00 1.00 0.00 0.00 33.01 33.28 2psx s GLN 84 CO 0.27 0.16 0.91 0.20 -2.12 0.00 0.00 175.29 174.71 2psx s GLY 85 N -1.79 1.64 0.04 3.09 0.00 -1.25 -1.63 107.32 107.43 2psx s GLY 85 Ca -0.02 -0.27 0.22 0.00 0.00 0.00 0.00 44.72 44.66 2psx s GLY 85 CO 0.02 1.97 0.83 1.55 0.00 0.00 0.00 173.10 177.47 2psx n VAL 86 N 5.67 0.17 -3.64 1.40 3.14 0.15 -4.94 118.33 120.28 2psx n VAL 86 Ca 0.07 -0.36 -0.05 0.00 -2.96 0.00 0.00 64.34 61.04 2psx n VAL 86 Cb 0.48 0.12 -0.07 0.00 -1.06 0.00 0.00 33.84 33.31 2psx n VAL 86 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2psx s LYS 87 N -3.32 0.56 -0.17 1.45 2.20 -1.22 -4.98 119.74 114.26 2psx s LYS 87 Ca -0.01 0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 56.57 2psx s LYS 87 Cb 0.14 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2psx s LYS 87 CO 0.84 -0.12 -0.12 -1.12 -0.36 0.00 0.00 175.35 174.48 2psx s SER 88 N 1.53 3.93 -0.37 1.43 0.01 -1.26 -1.12 113.70 117.86 2psx s SER 88 Ca -0.09 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.77 2psx s SER 88 Cb -0.04 -1.63 0.11 0.00 0.21 0.00 0.00 66.02 64.67 2psx s SER 88 CO -0.18 0.07 0.13 -0.63 0.41 0.00 0.00 173.24 173.05 2psx s ILE 89 N 0.89 1.56 0.43 1.44 1.01 0.70 -4.97 121.20 122.25 2psx s ILE 89 Ca -0.03 -2.13 -0.21 0.00 0.00 0.00 0.00 60.65 58.28 2psx s ILE 89 Cb -0.15 -2.14 -0.11 0.00 0.01 0.00 0.00 42.46 40.08 2psx s ILE 89 CO -0.00 -0.72 0.96 -2.16 0.00 0.00 0.00 174.94 173.02 2psx s PRO 90 N 0.93 4.20 0.32 2.79 0.04 -1.26 -0.53 135.00 141.49 2psx s PRO 90 Ca 0.13 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 2psx s PRO 90 Cb -0.20 -2.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.98 2psx s PRO 90 CO -0.12 -0.06 1.42 1.58 0.04 0.00 0.00 177.00 179.86 2psx n HIS 91 N -0.56 2.52 0.03 0.56 -0.00 -0.58 -4.86 115.22 112.34 2psx n HIS 91 Ca 0.07 0.44 0.16 0.00 0.46 0.00 0.00 57.72 58.85 2psx n HIS 91 Cb 0.53 -2.49 0.63 0.00 -0.12 0.00 0.00 29.99 28.55 2psx n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2psx h PRO 92 N 3.44 0.10 0.00 1.57 0.11 -1.92 -2.13 132.00 133.17 2psx h PRO 92 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2psx h PRO 92 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2psx h PRO 92 CO 0.69 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 2psx n GLY 93 N -1.59 -1.40 3.67 -0.55 0.00 -1.26 -4.84 105.19 99.21 2psx n GLY 93 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2psx n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2psx s TYR 94 N -2.91 1.89 -0.18 1.61 5.04 -0.80 -4.72 117.35 117.28 2psx s TYR 94 Ca 0.16 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.79 2psx s TYR 94 Cb 0.18 -4.02 -0.03 0.00 0.35 0.00 0.00 41.96 38.45 2psx s TYR 94 CO 0.49 -4.34 -0.02 -1.54 -1.34 0.00 0.00 175.55 168.80 2psx s SER 95 N 3.41 4.85 0.36 4.32 1.04 -1.26 -5.00 113.70 121.43 2psx s SER 95 Ca 0.78 -0.15 0.24 0.00 0.48 0.00 0.00 55.95 57.29 2psx s SER 95 Cb -0.37 -1.81 1.28 0.00 0.10 0.00 0.00 66.02 65.21 2psx s SER 95 CO 0.33 0.12 1.42 0.00 0.98 0.00 0.00 173.24 176.10 2psx n HIS 96 N 3.85 0.88 -0.09 5.02 1.44 -1.26 -2.01 115.22 123.04 2psx n HIS 96 Ca -0.17 0.88 -0.21 0.00 -2.01 0.00 0.00 57.72 56.21 2psx n HIS 96 Cb 0.52 -1.30 -0.12 0.00 0.12 0.00 0.00 29.99 29.21 2psx n HIS 96 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2psx h PRO 97 N 0.00 0.02 -7.29 -1.40 0.13 -2.01 -3.48 132.00 117.98 2psx h PRO 97 Ca 0.78 -0.04 -0.50 0.00 -0.87 0.00 0.00 66.00 65.37 2psx h PRO 97 Cb 2.27 0.01 0.07 0.00 0.13 0.00 0.00 31.00 33.49 2psx h PRO 97 CO -0.58 1.02 0.38 0.20 -0.23 0.00 0.00 178.00 178.79 2psx s GLY 98 N -4.88 1.83 0.00 1.56 0.00 -0.85 -4.97 107.32 100.01 2psx s GLY 98 Ca -0.28 0.14 0.20 0.00 0.00 0.00 0.00 44.72 44.78 2psx s GLY 98 CO 0.61 0.44 1.45 1.42 0.00 0.00 0.00 173.10 177.02 2psx n HIS 99 N -2.60 0.43 -2.32 1.90 8.25 -1.26 -4.24 115.22 115.38 2psx n HIS 99 Ca 0.07 -0.21 -0.35 0.00 -0.26 0.00 0.00 57.72 56.97 2psx n HIS 99 Cb 0.53 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 2psx n HIS 99 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2psx s SER 100 N -1.36 5.87 -1.34 0.41 0.01 -1.26 -3.65 113.70 112.37 2psx s SER 100 Ca 0.34 2.13 -0.04 0.00 1.31 0.00 0.00 55.95 59.69 2psx s SER 100 Cb 0.19 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2psx s SER 100 CO 0.26 -1.12 0.90 0.59 0.41 0.00 0.00 173.24 174.29 2psx n ASN 101 N -1.20 -2.94 -3.73 2.44 4.13 -1.26 -4.11 115.26 108.60 2psx n ASN 101 Ca 0.11 -0.72 -0.42 0.00 1.68 0.00 0.00 54.58 55.23 2psx n ASN 101 Cb 0.51 -4.41 -0.00 0.00 -1.54 0.00 0.00 39.78 34.34 2psx n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2psx n ASP 102 N -3.02 5.43 -3.79 6.41 2.03 -1.24 -4.07 116.55 118.29 2psx n ASP 102 Ca -0.18 -2.99 -0.13 0.00 0.52 0.00 0.00 54.79 52.01 2psx n ASP 102 Cb 0.63 -1.52 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 2psx n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2psx s LEU 103 N 0.29 1.07 -0.03 -2.67 2.34 -1.26 -3.85 118.68 114.57 2psx s LEU 103 Ca 0.46 0.00 -0.09 0.00 0.06 0.00 0.00 54.13 54.57 2psx s LEU 103 Cb 0.13 1.08 0.01 0.00 -0.56 0.00 0.00 46.19 46.85 2psx s LEU 103 CO -0.04 -0.42 0.20 -0.32 -1.06 0.00 0.00 176.35 174.71 2psx s MET 104 N -1.31 0.43 -0.15 1.48 1.75 0.18 -1.52 119.30 120.16 2psx s MET 104 Ca -0.14 -0.11 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 2psx s MET 104 Cb -0.06 0.19 -0.05 0.00 2.84 0.00 0.00 34.83 37.76 2psx s MET 104 CO 0.03 -0.10 0.15 -0.51 -0.65 0.00 0.00 175.02 173.95 2psx s LEU 105 N -0.84 4.31 -0.12 4.11 1.43 0.31 -1.67 118.68 126.20 2psx s LEU 105 Ca -0.09 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2psx s LEU 105 Cb -0.05 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2psx s LEU 105 CO 0.02 0.29 -0.17 -0.63 0.23 0.00 0.00 176.35 176.08 2psx s ILE 106 N -0.34 1.67 -0.10 -0.59 1.01 -0.35 -0.22 121.20 122.28 2psx s ILE 106 Ca 0.12 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 2psx s ILE 106 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2psx s ILE 106 CO 0.02 0.48 0.33 -0.75 0.00 0.00 0.00 174.94 175.01 2psx s LYS 107 N 1.00 4.06 0.42 2.79 2.20 -0.27 -0.11 119.74 129.82 2psx s LYS 107 Ca -0.05 0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.65 2psx s LYS 107 Cb -0.15 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.77 2psx s LYS 107 CO -0.03 0.43 0.80 -0.51 -0.36 0.00 0.00 175.35 175.68 2psx s LEU 108 N -0.15 3.81 0.52 5.43 1.43 -0.57 -0.67 118.68 128.48 2psx s LEU 108 Ca 0.20 1.19 0.22 0.00 -1.03 0.00 0.00 54.13 54.71 2psx s LEU 108 Cb -0.14 -4.08 1.41 0.00 0.03 0.00 0.00 46.19 43.41 2psx s LEU 108 CO 0.07 -0.42 2.12 -0.55 0.23 0.00 0.00 176.35 177.81 2psx h ASN 109 N 1.23 0.00 -5.27 2.29 7.08 -1.65 -3.44 115.58 115.82 2psx h ASN 109 Ca -0.47 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 52.65 2psx h ASN 109 Cb 1.19 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 37.31 2psx h ASN 109 CO 0.64 0.07 -0.27 0.00 -2.08 0.00 0.00 177.43 175.79 2psx s ARG 110 N -4.63 1.26 0.45 4.14 1.70 -1.26 -5.07 118.95 115.54 2psx s ARG 110 Ca -0.04 -1.20 -0.23 0.00 -0.47 0.00 0.00 55.73 53.79 2psx s ARG 110 Cb 0.15 0.40 -0.08 0.00 -0.57 0.00 0.00 34.95 34.85 2psx s ARG 110 CO 0.62 -0.48 1.11 1.03 -1.08 0.00 0.00 175.30 176.50 2psx s ARG 111 N -3.99 3.85 0.71 3.89 0.52 -1.26 -4.77 118.95 117.90 2psx s ARG 111 Ca 0.19 1.62 -0.11 0.00 -0.52 0.00 0.00 55.73 56.91 2psx s ARG 111 Cb 0.02 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 33.15 2psx s ARG 111 CO 0.03 -0.44 1.07 0.96 0.02 0.00 0.00 175.30 176.94 2psx s ILE 112 N -1.66 3.82 -0.48 1.52 -5.25 0.24 -5.00 121.20 114.39 2psx s ILE 112 Ca 0.63 0.61 -0.17 0.00 -0.99 0.00 0.00 60.65 60.73 2psx s ILE 112 Cb -0.24 -3.27 0.06 0.00 2.95 0.00 0.00 42.46 41.95 2psx s ILE 112 CO 0.30 -0.75 0.50 -0.60 -1.79 0.00 0.00 174.94 172.59 2psx s ARG 113 N -4.93 3.06 -0.19 0.37 3.52 -1.26 -5.02 118.95 114.50 2psx s ARG 113 Ca 0.59 -1.06 -0.33 0.00 -0.13 0.00 0.00 55.73 54.80 2psx s ARG 113 Cb -0.15 -4.09 -0.10 0.00 -1.56 0.00 0.00 34.95 29.05 2psx s ARG 113 CO 0.54 -1.08 2.05 -0.35 -0.81 0.00 0.00 175.30 175.65 2psx n PRO 114 N 5.68 1.84 -3.77 5.12 -0.04 -1.26 -4.77 135.00 137.80 2psx n PRO 114 Ca -0.09 0.60 -0.15 0.00 -0.04 0.00 0.00 63.50 63.82 2psx n PRO 114 Cb 0.45 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 2psx n PRO 114 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2psx n THR 115 N 6.35 0.00 0.41 0.52 -2.24 -1.01 -5.00 114.28 113.31 2psx n THR 115 Ca 0.29 -1.89 0.13 0.00 -2.27 0.00 0.00 64.05 60.31 2psx n THR 115 Cb 0.32 0.97 0.49 0.00 -2.10 0.00 0.00 70.33 70.00 2psx n THR 115 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2psx h LYS 116 N 0.00 0.00 0.00 -0.78 2.10 -1.96 -3.06 116.57 112.87 2psx h LYS 116 Ca -0.19 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.36 2psx h LYS 116 Cb 0.97 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.28 2psx h LYS 116 CO 0.28 0.00 -1.97 -0.25 -2.00 0.00 0.00 179.45 175.51 2psx n ASP 117 N -2.50 0.13 -3.87 7.07 8.00 -1.26 -4.71 116.55 119.41 2psx n ASP 117 Ca 0.03 0.05 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 2psx n ASP 117 Cb 0.32 1.51 -0.15 0.00 -0.02 0.00 0.00 41.12 42.78 2psx n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2psx s VAL 118 N -3.23 1.47 -0.10 2.53 1.01 -1.16 -3.88 120.40 117.04 2psx s VAL 118 Ca -0.08 -1.68 -0.06 0.00 0.00 0.00 0.00 61.98 60.16 2psx s VAL 118 Cb 0.11 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2psx s VAL 118 CO 0.87 -0.54 0.25 -0.60 0.00 0.00 0.00 175.10 175.09 2psx s ARG 119 N 1.34 0.24 0.83 2.72 3.52 -0.22 -2.40 118.95 124.97 2psx s ARG 119 Ca 0.07 0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 56.05 2psx s ARG 119 Cb -0.18 -0.04 0.09 0.00 -1.56 0.00 0.00 34.95 33.26 2psx s ARG 119 CO -0.16 -0.13 1.09 -1.25 -0.81 0.00 0.00 175.30 174.05 2psx s PRO 120 N 0.94 1.77 0.12 5.12 0.04 -1.26 -2.43 135.00 139.30 2psx s PRO 120 Ca -0.07 0.84 0.07 0.00 0.04 0.00 0.00 61.00 61.88 2psx s PRO 120 Cb -0.08 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2psx s PRO 120 CO -0.06 -1.89 -0.16 -1.50 0.04 0.00 0.00 177.00 173.43 2psx s ILE 121 N -3.00 1.44 0.37 0.56 2.07 -0.41 -4.90 121.20 117.34 2psx s ILE 121 Ca 0.62 -1.65 -0.12 0.00 -1.41 0.00 0.00 60.65 58.09 2psx s ILE 121 Cb -0.17 -1.51 -0.07 0.00 0.13 0.00 0.00 42.46 40.85 2psx s ILE 121 CO 0.56 -0.30 0.75 0.20 -1.91 0.00 0.00 174.94 174.24 2psx s ASN 122 N -2.26 6.60 -0.25 4.50 0.02 -1.26 -4.36 114.94 117.92 2psx s ASN 122 Ca 0.08 1.17 -0.13 0.00 -1.02 0.00 0.00 52.86 52.95 2psx s ASN 122 Cb -0.07 -2.33 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 2psx s ASN 122 CO 0.04 -0.33 0.28 -0.69 0.02 0.00 0.00 177.10 176.42 2psx s VAL 123 N -2.24 5.26 0.27 1.60 1.01 -1.26 -0.45 120.40 124.59 2psx s VAL 123 Ca 0.52 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 2psx s VAL 123 Cb -0.10 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 2psx s VAL 123 CO 0.27 0.25 1.45 -0.94 0.00 0.00 0.00 175.10 176.12 2psx s SER 124 N 1.36 6.61 0.24 3.32 1.04 -0.85 -4.90 113.70 120.52 2psx s SER 124 Ca 0.12 2.72 0.21 0.00 0.48 0.00 0.00 55.95 59.49 2psx s SER 124 Cb -0.15 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.40 2psx s SER 124 CO 0.08 -0.72 1.17 -1.28 0.98 0.00 0.00 173.24 173.47 2psx h SER 125 N 4.73 0.00 -3.34 7.02 0.87 -1.92 -3.35 113.55 117.56 2psx h SER 125 Ca -0.47 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.52 2psx h SER 125 Cb 1.22 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.10 2psx h SER 125 CO 0.76 0.14 -0.10 -1.00 -0.53 0.00 0.00 176.83 176.10 2psx s HIS 128 N -3.22 3.51 0.61 2.24 3.76 -1.26 -4.82 115.29 116.11 2psx s HIS 128 Ca 0.01 0.93 -0.16 0.00 -0.15 0.00 0.00 55.06 55.69 2psx s HIS 128 Cb 0.08 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 2psx s HIS 128 CO 0.76 0.13 1.08 0.00 -0.85 0.00 0.00 174.74 175.87 2psx s PRO 130 N -3.98 4.38 0.03 0.00 0.04 -1.26 -5.04 135.00 129.18 2psx s PRO 130 Ca 0.66 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.53 2psx s PRO 130 Cb -0.18 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 2psx s PRO 130 CO 0.37 -0.35 0.25 -1.54 0.04 0.00 0.00 177.00 175.76 2psx s SER 131 N 1.18 6.43 0.39 6.66 1.04 -1.26 -5.03 113.70 123.11 2psx s SER 131 Ca 0.61 0.45 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 2psx s SER 131 Cb -0.32 -2.04 -0.14 0.00 0.10 0.00 0.00 66.02 63.62 2psx s SER 131 CO 0.29 0.21 0.45 0.00 0.98 0.00 0.00 173.24 175.17 2psx n ALA 132 N 0.77 -1.95 0.00 5.32 0.00 -1.26 -1.85 120.51 121.54 2psx n ALA 132 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2psx n ALA 132 Cb 0.52 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2psx n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2psx n GLY 133 N 1.92 3.23 3.70 0.00 0.00 0.28 -4.96 105.19 109.36 2psx n GLY 133 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2psx n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2psx s THR 134 N -1.96 2.36 -0.14 2.61 2.01 -0.77 -4.68 115.64 115.08 2psx s THR 134 Ca 0.00 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 2psx s THR 134 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2psx s THR 134 CO 0.00 0.00 0.65 -0.75 -0.69 0.00 0.00 174.62 173.83 2psx s LYS 135 N 1.98 4.31 0.29 4.92 2.20 -1.26 -0.65 119.74 131.53 2psx s LYS 135 Ca 0.77 0.71 0.07 0.00 -0.36 0.00 0.00 55.97 57.16 2psx s LYS 135 Cb -0.47 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.28 2psx s LYS 135 CO 0.34 -0.09 -0.07 0.00 -0.36 0.00 0.00 175.35 175.18 2psx s LEU 137 N -3.46 2.39 0.02 0.00 1.98 0.22 -0.44 118.68 119.39 2psx s LEU 137 Ca 0.30 -0.55 0.04 0.00 -2.89 0.00 0.00 54.13 51.03 2psx s LEU 137 Cb 0.03 -1.56 -0.03 0.00 0.66 0.00 0.00 46.19 45.29 2psx s LEU 137 CO 0.12 0.00 -0.10 0.54 -1.89 0.00 0.00 176.35 175.03 2psx s VAL 138 N 1.29 3.43 0.05 1.68 0.11 0.23 -0.60 120.40 126.59 2psx s VAL 138 Ca 0.04 -0.90 -0.07 0.00 -2.93 0.00 0.00 61.98 58.12 2psx s VAL 138 Cb -0.14 -2.49 -0.01 0.00 -1.53 0.00 0.00 36.38 32.22 2psx s VAL 138 CO -0.09 0.37 0.14 -0.94 -3.33 0.00 0.00 175.10 171.25 2psx s SER 139 N -1.46 0.13 0.00 3.54 1.04 -1.20 -0.98 113.70 114.77 2psx s SER 139 Ca 0.17 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2psx s SER 139 Cb -0.11 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2psx s SER 139 CO 0.07 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2psx n GLY 140 N 0.56 1.16 1.60 7.32 0.00 -0.77 -4.33 105.19 110.73 2psx n GLY 140 Ca -0.18 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.04 2psx n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2psx n TRP 141 N -0.40 1.56 -0.66 1.61 8.01 -1.26 -1.96 117.44 124.35 2psx n TRP 141 Ca 0.00 -0.59 -0.28 0.00 -1.31 0.00 0.00 57.50 55.31 2psx n TRP 141 Cb 0.00 -0.30 0.24 0.00 -2.01 0.00 0.00 31.31 29.24 2psx n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2psx s GLY 142 N -0.83 1.55 0.43 6.99 0.00 -1.25 -4.43 107.32 109.78 2psx s GLY 142 Ca 0.49 -0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 2psx s GLY 142 CO 0.21 0.52 1.32 -0.37 0.00 0.00 0.00 173.10 174.78 2psx n THR 143 N -4.81 2.63 0.98 0.90 5.66 -0.58 -2.85 114.28 116.22 2psx n THR 143 Ca 0.03 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.65 2psx n THR 143 Cb 0.55 -1.65 0.26 0.00 -1.55 0.00 0.00 70.33 67.94 2psx n THR 143 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2psx n THR 144 N -0.22 0.14 -4.05 1.09 -2.24 0.36 -1.58 114.28 107.79 2psx n THR 144 Ca 0.06 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2psx n THR 144 Cb 0.40 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 2psx n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2psx s LYS 145 N -1.86 0.50 -0.23 -0.78 -0.14 -1.26 -4.23 119.74 111.74 2psx s LYS 145 Ca 0.33 -0.90 -0.19 0.00 -1.36 0.00 0.00 55.97 53.85 2psx s LYS 145 Cb 0.21 0.03 0.06 0.00 -1.68 0.00 0.00 37.83 36.45 2psx s LYS 145 CO 0.31 -0.05 0.61 0.45 -0.76 0.00 0.00 175.35 175.91 2psx s SER 146 N -2.09 -0.67 0.00 2.83 0.15 -1.26 -4.32 113.70 108.34 2psx s SER 146 Ca -0.05 1.25 0.22 0.00 0.70 0.00 0.00 55.95 58.07 2psx s SER 146 Cb -0.03 1.23 0.94 0.00 -1.71 0.00 0.00 66.02 66.45 2psx s SER 146 CO -0.04 -0.21 1.71 -0.81 1.20 0.00 0.00 173.24 175.08 2psx n PRO 147 N 3.11 0.00 -2.22 5.44 -0.04 -1.26 -4.74 135.00 135.28 2psx n PRO 147 Ca -0.15 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 2psx n PRO 147 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2psx n PRO 147 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2psx s GLN 148 N -3.00 4.33 0.16 0.54 0.00 -1.26 -4.98 119.66 115.45 2psx s GLN 148 Ca 0.11 2.00 -0.30 0.00 -0.00 0.00 0.00 55.36 57.17 2psx s GLN 148 Cb 0.14 -3.34 -0.07 0.00 0.00 0.00 0.00 33.01 29.74 2psx s GLN 148 CO 0.40 -0.44 1.08 0.08 0.00 0.00 0.00 175.29 176.42 2psx s VAL 149 N 1.39 3.97 -0.31 3.63 1.01 -1.26 -4.16 120.40 124.68 2psx s VAL 149 Ca 0.63 1.68 0.06 0.00 0.00 0.00 0.00 61.98 64.35 2psx s VAL 149 Cb -0.34 -4.07 0.20 0.00 0.00 0.00 0.00 36.38 32.16 2psx s VAL 149 CO 0.29 0.28 0.62 -2.28 0.00 0.00 0.00 175.10 174.00 2psx s HIS 150 N -0.13 -1.79 0.36 5.22 5.04 -1.26 -4.96 115.29 117.77 2psx s HIS 150 Ca 0.49 0.93 -0.24 0.00 -1.54 0.00 0.00 55.06 54.71 2psx s HIS 150 Cb -0.28 0.31 -0.10 0.00 0.04 0.00 0.00 32.58 32.54 2psx s HIS 150 CO 0.34 -1.06 0.95 -0.06 -2.34 0.00 0.00 174.74 172.56 2psx s PHE 151 N 2.69 3.56 0.98 3.88 0.40 -1.26 -0.49 117.98 127.74 2psx s PHE 151 Ca 0.12 1.72 -0.16 0.00 -0.60 0.00 0.00 56.93 58.01 2psx s PHE 151 Cb -0.09 -2.90 0.22 0.00 0.51 0.00 0.00 43.02 40.76 2psx s PHE 151 CO -0.23 0.09 1.34 -1.25 0.70 0.00 0.00 175.22 175.86 2psx s PRO 152 N -2.43 0.45 -0.13 0.24 0.04 -1.26 -4.91 135.00 127.00 2psx s PRO 152 Ca 0.54 -0.54 0.07 0.00 0.04 0.00 0.00 61.00 61.12 2psx s PRO 152 Cb -0.15 -1.85 -0.23 0.00 0.04 0.00 0.00 34.50 32.30 2psx s PRO 152 CO 0.20 -2.52 0.31 1.17 0.04 0.00 0.00 177.00 176.21 2psx n LYS 153 N -3.81 0.68 -4.25 4.56 3.00 -1.26 -4.72 118.16 112.36 2psx n LYS 153 Ca 0.16 0.20 -0.14 0.00 -0.00 0.00 0.00 58.31 58.53 2psx n LYS 153 Cb 0.59 -1.67 -0.10 0.00 0.00 0.00 0.00 35.03 33.85 2psx n LYS 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2psx s VAL 154 N -2.55 0.34 0.07 3.15 -7.23 -1.26 -0.81 120.40 112.11 2psx s VAL 154 Ca -0.15 -1.99 -0.37 0.00 -1.81 0.00 0.00 61.98 57.66 2psx s VAL 154 Cb 0.07 -2.46 -0.17 0.00 0.56 0.00 0.00 36.38 34.39 2psx s VAL 154 CO 0.78 -0.12 1.37 -0.11 -0.31 0.00 0.00 175.10 176.71 2psx n LEU 155 N -0.33 1.73 -4.86 1.32 7.94 -0.56 -4.86 117.00 117.37 2psx n LEU 155 Ca -0.01 1.12 -0.35 0.00 -1.11 0.00 0.00 56.01 55.66 2psx n LEU 155 Cb 0.65 -1.20 -0.06 0.00 0.53 0.00 0.00 43.42 43.35 2psx n LEU 155 CO 0.35 -0.99 -0.19 -1.10 -1.11 0.00 0.00 177.39 174.35 2psx s GLN 156 N 0.62 3.36 0.03 1.96 -1.52 -0.83 -1.48 119.66 121.80 2psx s GLN 156 Ca 0.85 -0.26 0.07 0.00 -1.95 0.00 0.00 55.36 54.07 2psx s GLN 156 Cb -0.95 -3.09 -0.02 0.00 -0.22 0.00 0.00 33.01 28.73 2psx s GLN 156 CO 0.47 0.72 -0.21 0.00 -0.25 0.00 0.00 175.29 176.02 2psx s LEU 158 N -1.04 -0.01 0.09 0.00 2.96 -0.16 -0.71 118.68 119.81 2psx s LEU 158 Ca 0.08 0.92 -0.22 0.00 -0.22 0.00 0.00 54.13 54.69 2psx s LEU 158 Cb -0.09 1.45 -0.07 0.00 0.50 0.00 0.00 46.19 47.99 2psx s LEU 158 CO 0.01 -0.18 0.66 0.20 -1.32 0.00 0.00 176.35 175.72 2psx s ASN 159 N 1.06 7.17 -0.06 3.68 0.01 -1.26 -0.60 114.94 124.95 2psx s ASN 159 Ca -0.07 1.39 -0.07 0.00 -0.71 0.00 0.00 52.86 53.40 2psx s ASN 159 Cb -0.07 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.19 2psx s ASN 159 CO -0.09 0.20 0.19 0.27 -1.51 0.00 0.00 177.10 176.15 2psx s ILE 160 N -0.85 0.02 -0.11 0.60 -4.36 0.42 -4.95 121.20 111.97 2psx s ILE 160 Ca 0.33 -0.13 -0.05 0.00 -0.26 0.00 0.00 60.65 60.54 2psx s ILE 160 Cb -0.21 -0.31 -0.04 0.00 1.25 0.00 0.00 42.46 43.16 2psx s ILE 160 CO 0.21 -0.07 0.08 -0.44 0.24 0.00 0.00 174.94 174.97 2psx s SER 161 N -0.18 5.93 0.16 4.36 0.01 -1.26 0.73 113.70 123.44 2psx s SER 161 Ca -0.03 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.27 2psx s SER 161 Cb -0.02 -1.84 -0.07 0.00 0.21 0.00 0.00 66.02 64.30 2psx s SER 161 CO 0.01 0.39 1.16 -0.69 0.41 0.00 0.00 173.24 174.52 2psx s VAL 162 N -0.95 3.78 0.41 3.43 1.01 0.18 -0.47 120.40 127.78 2psx s VAL 162 Ca 0.14 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2psx s VAL 162 Cb -0.12 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2psx s VAL 162 CO 0.03 0.22 0.61 -0.76 0.00 0.00 0.00 175.10 175.21 2psx s LEU 163 N -0.06 3.80 0.46 3.92 1.02 -0.55 -0.56 118.68 126.71 2psx s LEU 163 Ca 0.52 0.33 -0.23 0.00 0.02 0.00 0.00 54.13 54.77 2psx s LEU 163 Cb -0.31 -3.20 -0.07 0.00 0.02 0.00 0.00 46.19 42.62 2psx s LEU 163 CO 0.35 -0.53 1.18 -0.94 0.02 0.00 0.00 176.35 176.43 2psx s SER 164 N -4.15 6.17 0.48 2.29 1.04 -1.26 -4.53 113.70 113.74 2psx s SER 164 Ca 0.45 2.35 0.18 0.00 0.48 0.00 0.00 55.95 59.41 2psx s SER 164 Cb -0.10 -2.61 1.20 0.00 0.10 0.00 0.00 66.02 64.61 2psx s SER 164 CO 0.37 -0.92 2.01 -0.61 0.98 0.00 0.00 173.24 175.07 2psx h GLN 165 N 2.10 0.19 0.23 4.02 5.75 -1.96 -0.52 115.11 124.93 2psx h GLN 165 Ca -0.49 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2psx h GLN 165 Cb 1.25 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2psx h GLN 165 CO 0.60 0.13 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.58 2psx h LYS 166 N 0.20 -0.30 -0.60 1.69 1.63 -1.99 -0.02 116.57 117.18 2psx h LYS 166 Ca 0.22 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 2psx h LYS 166 Cb 0.61 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2psx h LYS 166 CO -0.04 -0.14 0.21 0.00 -3.45 0.00 0.00 179.45 176.03 2psx h ARG 167 N -0.39 0.88 -1.00 1.90 3.08 -1.73 -1.93 114.38 115.20 2psx h ARG 167 Ca -0.03 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.89 2psx h ARG 167 Cb 0.30 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 2psx h ARG 167 CO 0.05 0.75 0.66 0.00 -1.07 0.00 0.00 179.97 180.36 2psx h GLU 169 N 1.32 0.26 -0.08 0.00 5.08 -0.24 -2.81 114.58 118.11 2psx h GLU 169 Ca 0.38 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2psx h GLU 169 Cb -0.10 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2psx h GLU 169 CO -0.10 0.64 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.03 2psx h ASP 170 N 0.21 0.21 -0.56 1.42 3.32 -0.91 -1.74 116.42 118.38 2psx h ASP 170 Ca 0.02 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.61 2psx h ASP 170 Cb 0.84 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2psx h ASP 170 CO 0.07 0.66 0.37 0.00 -1.72 0.00 0.00 179.24 178.62 2psx h ALA 171 N 0.56 1.72 -2.47 3.45 0.00 -1.44 -3.26 119.26 117.82 2psx h ALA 171 Ca 0.01 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 2psx h ALA 171 Cb 0.60 -0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.81 2psx h ALA 171 CO 0.02 0.22 -0.85 0.66 0.00 0.00 0.00 179.25 179.30 2psx n TYR 172 N -4.47 0.78 -1.97 0.00 4.01 -1.06 -5.07 117.16 109.39 2psx n TYR 172 Ca 0.07 -3.71 -0.41 0.00 -0.16 0.00 0.00 57.90 53.68 2psx n TYR 172 Cb 0.14 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 2psx n TYR 172 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2psx s PRO 173 N -0.85 4.24 0.00 -0.72 0.04 -0.66 -2.29 135.00 134.76 2psx s PRO 173 Ca 0.32 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2psx s PRO 173 Cb 0.05 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2psx s PRO 173 CO -0.15 -0.39 0.00 0.54 0.04 0.00 0.00 177.00 177.03 2psx n ARG 174 N 1.24 -0.95 0.00 4.56 5.12 -1.26 -4.63 116.66 120.74 2psx n ARG 174 Ca 0.03 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 2psx n ARG 174 Cb 0.40 -4.71 0.00 0.00 -1.16 0.00 0.00 32.46 27.00 2psx n ARG 174 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2psx n GLN 174 N -0.58 0.96 -2.72 5.56 10.64 -1.17 -5.02 117.38 125.05 2psx n GLN 174 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 2psx n GLN 174 Cb 0.24 -0.92 -0.06 0.00 -0.86 0.00 0.00 30.24 28.64 2psx n GLN 174 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 2psx s ILE 176 N -1.76 4.07 0.31 -0.39 -1.16 -0.97 -4.87 121.20 116.43 2psx s ILE 176 Ca 0.00 1.80 0.03 0.00 -0.51 0.00 0.00 60.65 61.96 2psx s ILE 176 Cb 0.00 -4.03 -0.04 0.00 0.61 0.00 0.00 42.46 39.00 2psx s ILE 176 CO 0.00 0.21 0.13 -0.62 -2.81 0.00 0.00 174.94 171.85 2psx s ASP 177 N -1.47 1.72 0.50 4.50 2.15 -1.26 -5.02 116.67 117.78 2psx s ASP 177 Ca 0.49 -1.52 0.29 0.00 0.43 0.00 0.00 52.55 52.24 2psx s ASP 177 Cb -0.21 0.30 0.93 0.00 -0.30 0.00 0.00 42.92 43.64 2psx s ASP 177 CO 0.27 -0.83 1.82 -0.78 -0.17 0.00 0.00 175.17 175.49 2psx h ASP 178 N 2.18 0.00 -0.28 -0.34 3.58 -2.02 -2.94 116.42 116.60 2psx h ASP 178 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2psx h ASP 178 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2psx h ASP 178 CO 0.56 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 177.27 2psx n THR 179 N -3.07 0.82 -3.98 2.25 -2.24 -1.26 -4.84 114.28 101.96 2psx n THR 179 Ca 0.02 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.19 2psx n THR 179 Cb 0.40 -0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 2psx n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2psx s MET 180 N -1.67 1.05 0.02 -0.78 0.23 -1.11 -0.85 119.30 116.19 2psx s MET 180 Ca 0.22 -1.19 -0.13 0.00 -1.03 0.00 0.00 55.69 53.57 2psx s MET 180 Cb 0.15 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.80 2psx s MET 180 CO 0.10 -0.36 0.27 -0.59 -2.03 0.00 0.00 175.02 172.41 2psx s PHE 181 N -3.96 -0.08 0.01 3.16 -0.12 0.11 -4.70 117.98 112.39 2psx s PHE 181 Ca 0.16 -0.00 -0.06 0.00 -0.05 0.00 0.00 56.93 56.98 2psx s PHE 181 Cb 0.04 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 2psx s PHE 181 CO -0.02 -0.44 0.26 0.00 -0.05 0.00 0.00 175.22 174.98 2psx s ALA 183 N -1.31 -0.85 0.00 0.00 0.00 -0.77 -1.48 121.76 117.35 2psx s ALA 183 Ca 0.28 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2psx s ALA 183 Cb -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2psx s ALA 183 CO 0.17 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2psx n GLY 184 N 2.92 1.28 0.13 0.00 0.00 0.38 -2.75 105.19 107.15 2psx n GLY 184 Ca -0.13 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 2psx n GLY 184 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2psx n ASP 185 N 0.00 2.00 -4.54 1.61 8.00 -1.26 -4.40 116.55 117.96 2psx n ASP 185 Ca 0.00 -0.14 -0.39 0.00 0.71 0.00 0.00 54.79 54.97 2psx n ASP 185 Cb 0.00 -0.39 0.03 0.00 -0.02 0.00 0.00 41.12 40.74 2psx n ASP 185 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2psx n LYS 186 N -3.24 0.85 -2.58 -1.24 4.81 -1.26 -4.81 118.16 110.70 2psx n LYS 186 Ca -0.45 0.32 -0.41 0.00 -0.87 0.00 0.00 58.31 56.90 2psx n LYS 186 Cb 0.98 -1.89 -0.04 0.00 0.02 0.00 0.00 35.03 34.10 2psx n LYS 186 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2psx s ALA 186 N -1.51 3.34 0.00 3.14 0.00 -1.26 -3.58 121.76 121.89 2psx s ALA 186 Ca 0.68 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2psx s ALA 186 Cb -0.49 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2psx s ALA 186 CO 0.54 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2psx n GLY 187 N 2.14 1.58 3.47 0.00 0.00 -1.26 -5.00 105.19 106.12 2psx n GLY 187 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2psx n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2psx s ARG 188 N -0.06 3.67 -0.09 1.61 0.52 -1.23 -4.08 118.95 119.29 2psx s ARG 188 Ca 0.00 -0.49 -0.33 0.00 -0.52 0.00 0.00 55.73 54.39 2psx s ARG 188 Cb 0.00 -3.12 0.13 0.00 0.52 0.00 0.00 34.95 32.48 2psx s ARG 188 CO 0.00 0.02 1.31 0.34 0.02 0.00 0.00 175.30 176.99 2psx s ASP 189 N 0.99 -0.06 0.64 0.23 2.15 -1.19 -4.80 116.67 114.64 2psx s ASP 189 Ca 0.02 -0.07 -0.06 0.00 0.43 0.00 0.00 52.55 52.87 2psx s ASP 189 Cb -0.14 0.11 0.03 0.00 -0.30 0.00 0.00 42.92 42.63 2psx s ASP 189 CO 0.02 -0.20 0.95 -0.94 -0.17 0.00 0.00 175.17 174.82 2psx s SER 190 N -2.74 5.22 0.15 -0.34 1.04 -1.26 -0.70 113.70 115.07 2psx s SER 190 Ca 0.13 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 2psx s SER 190 Cb 0.04 -1.39 0.01 0.00 0.10 0.00 0.00 66.02 64.78 2psx s SER 190 CO -0.04 -1.31 0.25 0.00 0.98 0.00 0.00 173.24 173.11 2psx n GLN 192 N -0.24 1.97 0.00 0.00 3.00 -1.26 -1.72 117.38 119.12 2psx n GLN 192 Ca -0.01 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2psx n GLN 192 Cb 0.25 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 28.16 2psx n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2psx n GLY 193 N 1.96 1.88 0.00 1.08 0.00 -1.26 -1.52 105.19 107.34 2psx n GLY 193 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 2psx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2psx n ASP 194 N 0.00 0.78 -4.53 1.61 8.00 -0.70 -3.80 116.55 117.91 2psx n ASP 194 Ca 0.00 -0.68 -0.46 0.00 0.71 0.00 0.00 54.79 54.36 2psx n ASP 194 Cb 0.00 0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 2psx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2psx n SER 195 N -1.60 0.50 0.00 -2.24 7.64 -1.26 -0.56 113.62 116.10 2psx n SER 195 Ca 0.04 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2psx n SER 195 Cb 0.36 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2psx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2psx n GLY 196 N 1.51 2.52 3.75 0.23 0.00 -0.40 0.14 105.19 112.95 2psx n GLY 196 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2psx n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2psx s GLY 197 N -1.99 1.66 0.30 -0.02 0.00 0.28 -2.90 107.32 104.65 2psx s GLY 197 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.67 2psx s GLY 197 CO 0.00 0.56 0.87 2.56 0.00 0.00 0.00 173.10 177.09 2psx s PRO 198 N -4.91 4.41 -0.27 2.90 0.04 -1.26 -1.48 135.00 134.43 2psx s PRO 198 Ca 0.62 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2psx s PRO 198 Cb -0.17 -2.73 0.07 0.00 0.04 0.00 0.00 34.50 31.71 2psx s PRO 198 CO 0.56 0.27 -0.03 0.08 0.04 0.00 0.00 177.00 177.92 2psx s VAL 199 N -1.67 1.73 -0.17 -0.36 1.01 -0.82 -3.20 120.40 116.92 2psx s VAL 199 Ca 0.50 -1.52 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 2psx s VAL 199 Cb -0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2psx s VAL 199 CO 0.21 -0.23 0.04 -0.69 0.00 0.00 0.00 175.10 174.43 2psx s VAL 200 N 1.27 4.56 -0.01 2.92 1.01 0.24 -0.71 120.40 129.67 2psx s VAL 200 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2psx s VAL 200 Cb -0.19 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2psx s VAL 200 CO -0.08 0.47 -0.03 0.00 0.00 0.00 0.00 175.10 175.46 2psx n ASN 202 N 3.10 -4.96 0.00 0.00 5.03 -1.26 -1.54 115.26 115.64 2psx n ASN 202 Ca -0.14 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.17 2psx n ASN 202 Cb 0.58 -4.09 0.00 0.00 -1.02 0.00 0.00 39.78 35.25 2psx n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2psx n GLY 203 N -1.17 0.53 3.33 7.41 0.00 -1.26 -5.01 105.19 109.03 2psx n GLY 203 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2psx n GLY 203 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2psx s SER 204 N -2.32 2.19 -0.32 1.61 1.04 -0.59 -4.79 113.70 110.53 2psx s SER 204 Ca 0.00 -1.11 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 2psx s SER 204 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2psx s SER 204 CO 0.00 -0.35 1.31 -0.22 0.98 0.00 0.00 173.24 174.95 2psx s LEU 209 N -3.30 3.84 -0.15 2.42 2.96 0.40 -1.56 118.68 123.29 2psx s LEU 209 Ca 0.24 1.14 0.16 0.00 -0.22 0.00 0.00 54.13 55.45 2psx s LEU 209 Cb 0.03 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.95 2psx s LEU 209 CO 0.07 -1.12 0.11 1.67 -1.32 0.00 0.00 176.35 175.76 2psx n GLN 210 N 7.41 1.09 -2.12 1.98 -0.06 0.11 -2.02 117.38 123.76 2psx n GLN 210 Ca 0.15 -0.03 -0.04 0.00 -2.00 0.00 0.00 57.00 55.08 2psx n GLN 210 Cb 0.47 -1.44 0.01 0.00 -4.06 0.00 0.00 30.24 25.21 2psx n GLN 210 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2psx n GLY 211 N 1.86 1.73 2.99 1.69 0.00 -0.95 -2.36 105.19 110.15 2psx n GLY 211 Ca -0.24 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2psx n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2psx s LEU 212 N 0.00 2.16 0.05 0.99 1.43 -1.17 -1.94 118.68 120.20 2psx s LEU 212 Ca 0.07 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2psx s LEU 212 Cb -0.02 -0.11 -0.09 0.00 0.03 0.00 0.00 46.19 46.01 2psx s LEU 212 CO 0.05 -0.13 1.84 -0.69 0.23 0.00 0.00 176.35 177.65 2psx s VAL 213 N -0.90 3.00 0.01 -1.59 1.01 -0.55 -1.60 120.40 119.78 2psx s VAL 213 Ca -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2psx s VAL 213 Cb -0.07 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2psx s VAL 213 CO -0.00 -0.01 -0.03 -0.24 0.00 0.00 0.00 175.10 174.82 2psx n SER 214 N 6.77 0.47 -2.96 3.32 2.88 -1.04 -1.27 113.62 121.80 2psx n SER 214 Ca 0.18 0.07 -0.09 0.00 -1.33 0.00 0.00 58.87 57.70 2psx n SER 214 Cb 0.41 -0.22 0.02 0.00 -0.75 0.00 0.00 64.21 63.66 2psx n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2psx s TRP 215 N -1.44 0.11 -0.01 0.66 1.48 -0.75 -4.91 118.94 114.08 2psx s TRP 215 Ca -0.02 -0.78 -0.14 0.00 -1.06 0.00 0.00 56.10 54.10 2psx s TRP 215 Cb 0.00 0.84 0.05 0.00 -1.16 0.00 0.00 33.47 33.20 2psx s TRP 215 CO 0.03 -1.56 0.63 0.41 -4.06 0.00 0.00 176.95 172.40 2psx n GLY 216 N -0.53 0.46 3.83 3.67 0.00 -1.26 0.54 105.19 111.90 2psx n GLY 216 Ca -0.08 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2psx n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2psx s ASP 217 N -2.41 4.52 -0.02 1.61 3.68 -1.26 -5.00 116.67 117.78 2psx s ASP 217 Ca 0.15 1.11 0.01 0.00 2.13 0.00 0.00 52.55 55.94 2psx s ASP 217 Cb -0.00 -1.79 0.02 0.00 -1.45 0.00 0.00 42.92 39.70 2psx s ASP 217 CO -0.00 -1.93 -0.01 -0.47 0.13 0.00 0.00 175.17 172.89 2psx s TYR 218 N -3.30 0.25 0.70 -5.34 5.04 -1.26 -3.65 117.35 109.80 2psx s TYR 218 Ca 0.61 -0.00 -0.14 0.00 -2.44 0.00 0.00 57.07 55.09 2psx s TYR 218 Cb -0.13 -0.30 0.02 0.00 0.35 0.00 0.00 41.96 41.90 2psx s TYR 218 CO 0.53 -0.08 1.13 -1.25 -1.34 0.00 0.00 175.55 174.54 2psx s PRO 219 N 0.64 2.52 0.92 4.97 0.04 -1.26 -5.10 135.00 137.74 2psx s PRO 219 Ca -0.06 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 2psx s PRO 219 Cb -0.09 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2psx s PRO 219 CO -0.01 -1.48 1.15 0.00 0.04 0.00 0.00 177.00 176.69 2psx n ALA 221 N -4.26 -0.12 -1.95 0.00 0.00 -1.26 -4.83 120.51 108.08 2psx n ALA 221 Ca 0.12 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 2psx n ALA 221 Cb 0.52 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2psx n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2psx s ARG 221 N -2.47 4.43 0.42 0.00 0.52 -1.25 -4.02 118.95 116.59 2psx s ARG 221 Ca 0.00 2.01 -0.26 0.00 -0.52 0.00 0.00 55.73 56.97 2psx s ARG 221 Cb 0.00 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.19 2psx s ARG 221 CO 0.00 -0.16 1.29 -0.35 0.02 0.00 0.00 175.30 176.10 2psx n PRO 222 N 2.17 1.97 -1.56 3.54 -0.04 -1.26 -1.88 135.00 137.94 2psx n PRO 222 Ca 0.04 0.70 -0.19 0.00 -0.04 0.00 0.00 63.50 64.01 2psx n PRO 222 Cb 0.43 -2.40 -0.08 0.00 -0.04 0.00 0.00 33.50 31.41 2psx n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2psx n ASN 223 N 0.21 -5.43 -3.66 3.54 5.03 -1.26 -4.92 115.26 108.77 2psx n ASN 223 Ca 0.06 0.48 -0.28 0.00 0.87 0.00 0.00 54.58 55.71 2psx n ASN 223 Cb 0.40 -4.64 -0.11 0.00 -1.02 0.00 0.00 39.78 34.40 2psx n ASN 223 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2psx s ARG 224 N -3.64 1.66 0.68 3.52 1.81 -0.79 -4.88 118.95 117.31 2psx s ARG 224 Ca 0.00 -2.66 -0.14 0.00 -1.72 0.00 0.00 55.73 51.21 2psx s ARG 224 Cb 0.00 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 2psx s ARG 224 CO 0.00 -1.32 1.10 -1.25 -0.68 0.00 0.00 175.30 173.15 2psx s PRO 225 N -0.59 2.72 0.56 3.54 0.04 -1.26 -4.49 135.00 135.52 2psx s PRO 225 Ca 0.27 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2psx s PRO 225 Cb -0.03 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2psx s PRO 225 CO -0.16 -1.30 1.06 0.20 0.04 0.00 0.00 177.00 176.84 2psx s GLY 226 N -2.85 2.26 -0.14 0.56 0.00 -1.11 -4.59 107.32 101.45 2psx s GLY 226 Ca 0.65 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.82 2psx s GLY 226 CO 0.45 0.80 -0.06 0.14 0.00 0.00 0.00 173.10 174.43 2psx s VAL 227 N -2.28 3.71 0.08 1.40 1.01 0.19 -1.85 120.40 122.65 2psx s VAL 227 Ca 0.65 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.28 2psx s VAL 227 Cb -0.17 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2psx s VAL 227 CO 0.32 0.51 -0.20 -0.31 0.00 0.00 0.00 175.10 175.41 2psx s TYR 228 N 0.28 1.74 0.15 5.22 1.51 0.77 -1.81 117.35 125.20 2psx s TYR 228 Ca -0.05 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 2psx s TYR 228 Cb -0.14 -0.99 -0.10 0.00 -0.11 0.00 0.00 41.96 40.62 2psx s TYR 228 CO 0.03 0.15 1.63 0.99 -1.11 0.00 0.00 175.55 177.25 2psx s THR 229 N -1.02 2.61 -1.11 -0.71 2.01 -0.63 0.05 115.64 116.84 2psx s THR 229 Ca 0.06 0.35 -0.18 0.00 0.31 0.00 0.00 61.69 62.23 2psx s THR 229 Cb -0.09 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.30 2psx s THR 229 CO 0.03 0.02 1.43 0.21 -0.69 0.00 0.00 174.62 175.62 2psx s ASN 230 N 1.55 6.75 0.61 3.53 2.47 -0.03 -3.04 114.94 126.78 2psx s ASN 230 Ca 0.73 -2.21 0.32 0.00 0.42 0.00 0.00 52.86 52.11 2psx s ASN 230 Cb -0.44 -2.49 1.82 0.00 -1.45 0.00 0.00 41.25 38.70 2psx s ASN 230 CO 0.32 -1.13 2.17 -0.07 -3.72 0.00 0.00 177.10 174.67 2psx h LEU 231 N 11.38 0.00 -2.68 3.21 3.38 -1.77 -2.33 115.31 126.50 2psx h LEU 231 Ca 0.28 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.25 2psx h LEU 231 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2psx h LEU 231 CO 1.31 0.00 0.07 0.00 0.09 0.00 0.00 178.44 179.91 2psx n LYS 233 N -3.25 1.12 -0.11 0.00 4.76 -0.87 -4.17 118.16 115.64 2psx n LYS 233 Ca -0.02 -0.45 0.03 0.00 -2.87 0.00 0.00 58.31 55.00 2psx n LYS 233 Cb 0.14 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.88 2psx n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2psx n PHE 234 N -0.55 0.00 -0.18 2.13 3.72 -0.22 -4.81 117.46 117.55 2psx n PHE 234 Ca 0.18 -0.42 -0.02 0.00 -0.05 0.00 0.00 57.45 57.15 2psx n PHE 234 Cb 0.27 -0.06 0.08 0.00 -0.94 0.00 0.00 39.48 38.82 2psx n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2psx h THR 235 N 1.97 0.79 -0.18 4.37 1.35 -1.72 0.43 112.91 119.92 2psx h THR 235 Ca 0.00 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2psx h THR 235 Cb 0.91 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 2psx h THR 235 CO 0.00 0.07 0.09 0.11 -0.25 0.00 0.00 175.52 175.53 2psx h LYS 236 N 0.37 0.26 -0.55 4.72 1.57 -1.91 -1.48 116.57 119.54 2psx h LYS 236 Ca 0.27 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2psx h LYS 236 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2psx h LYS 236 CO -0.28 0.29 0.36 2.35 -0.57 0.00 0.00 179.45 181.60 2psx h TRP 237 N 0.16 0.69 -0.37 -1.35 7.01 -1.78 0.54 115.95 120.85 2psx h TRP 237 Ca 0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 2psx h TRP 237 Cb 0.12 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 2psx h TRP 237 CO -0.03 0.43 0.16 0.82 -2.79 0.00 0.00 178.44 177.03 2psx h ILE 238 N 0.74 0.94 -0.25 2.65 2.04 -0.73 0.89 117.51 123.79 2psx h ILE 238 Ca 0.21 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 2psx h ILE 238 Cb -0.07 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2psx h ILE 238 CO -0.05 0.06 -0.04 1.56 0.00 0.00 0.00 178.15 179.68 2psx h GLN 239 N 0.34 0.47 -0.38 2.37 4.20 -0.94 -1.82 115.11 119.35 2psx h GLN 239 Ca 0.16 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2psx h GLN 239 Cb 0.10 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2psx h GLN 239 CO -0.14 0.68 0.16 0.93 -0.67 0.00 0.00 178.83 179.79 2psx h GLU 240 N 0.22 0.56 -0.73 1.46 5.08 -0.71 -0.91 114.58 119.55 2psx h GLU 240 Ca 0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2psx h GLU 240 Cb 0.49 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2psx h GLU 240 CO 0.02 0.53 0.43 1.15 -1.00 0.00 0.00 179.01 180.14 2psx h THR 241 N 0.47 1.21 -0.53 1.13 2.02 -0.81 0.15 112.91 116.54 2psx h THR 241 Ca 0.13 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 2psx h THR 241 Cb 0.17 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2psx h THR 241 CO -0.01 0.23 0.12 0.40 0.37 0.00 0.00 175.52 176.63 2psx h ILE 242 N 1.00 1.25 -0.26 3.11 2.04 -1.09 -2.41 117.51 121.16 2psx h ILE 242 Ca 0.26 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 2psx h ILE 242 Cb -0.01 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2psx h ILE 242 CO -0.05 0.32 -0.28 1.56 0.00 0.00 0.00 178.15 179.70 2psx h GLN 243 N 0.75 0.52 0.00 2.37 1.08 -0.83 -2.73 115.11 116.27 2psx h GLN 243 Ca 0.17 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2psx h GLN 243 Cb 0.35 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2psx h GLN 243 CO 0.00 0.76 -0.30 0.00 -0.95 0.00 0.00 178.83 178.34 2psx h ALA 244 N 1.24 1.12 -0.49 3.87 0.00 -0.71 -3.03 119.26 121.26 2psx h ALA 244 Ca 0.06 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2psx h ALA 244 Cb 0.73 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2psx h ALA 244 CO 0.06 0.37 0.11 0.09 0.00 0.00 0.00 179.25 179.87 2psx n ASN 245 N -3.63 3.38 -0.94 0.00 3.02 -0.93 -5.10 115.26 111.07 2psx n ASN 245 Ca -0.01 -3.48 0.12 0.00 -0.03 0.00 0.00 54.58 51.18 2psx n ASN 245 Cb 0.42 -0.66 0.10 0.00 -0.61 0.00 0.00 39.78 39.03 2psx n ASN 245 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44