#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hei s ASP 19 N 0.00 6.60 0.07 0.00 -0.00 -1.26 -4.89 116.67 117.19 3hei s ASP 19 Ca 0.00 1.03 0.06 0.00 -0.00 0.00 0.00 52.55 53.64 3hei s ASP 19 Cb 0.00 -2.27 -0.04 0.00 -0.00 0.00 0.00 42.92 40.61 3hei s ASP 19 CO 0.00 -0.22 -0.07 -0.13 -0.00 0.00 0.00 175.17 174.75 3hei s ARG 20 N -3.28 2.32 -0.13 8.23 0.52 -1.26 -1.54 118.95 123.81 3hei s ARG 20 Ca 0.49 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3hei s ARG 20 Cb -0.11 -2.40 0.01 0.00 0.52 0.00 0.00 34.95 32.97 3hei s ARG 20 CO 0.25 0.54 -0.22 -1.01 0.02 0.00 0.00 175.30 174.88 3hei s HIS 21 N -1.16 2.66 -0.22 -0.53 3.76 0.21 -4.97 115.29 115.04 3hei s HIS 21 Ca 0.21 -1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 53.77 3hei s HIS 21 Cb -0.11 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.73 3hei s HIS 21 CO 0.13 -0.54 0.21 0.99 -0.85 0.00 0.00 174.74 174.67 3hei s THR 22 N 0.69 5.33 -0.18 1.30 2.01 -1.26 -0.42 115.64 123.11 3hei s THR 22 Ca -0.10 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.23 3hei s THR 22 Cb -0.16 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.83 3hei s THR 22 CO 0.01 0.35 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.46 3hei s VAL 23 N 0.90 1.76 -0.52 3.82 1.01 0.40 -4.97 120.40 122.80 3hei s VAL 23 Ca 0.11 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3hei s VAL 23 Cb -0.13 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.60 3hei s VAL 23 CO 0.04 0.38 0.83 -0.36 0.00 0.00 0.00 175.10 175.99 3hei s PHE 24 N 1.39 2.89 -0.97 5.22 0.40 -1.26 0.11 117.98 125.75 3hei s PHE 24 Ca 0.03 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.06 3hei s PHE 24 Cb -0.14 -3.86 0.16 0.00 0.51 0.00 0.00 43.02 39.68 3hei s PHE 24 CO -0.10 -1.21 1.13 -0.46 0.70 0.00 0.00 175.22 175.28 3hei s TRP 25 N 3.49 3.32 -0.04 0.36 -0.11 0.42 -4.81 118.94 121.57 3hei s TRP 25 Ca 0.26 -1.66 -0.30 0.00 1.22 0.00 0.00 56.10 55.62 3hei s TRP 25 Cb -0.14 -4.21 0.07 0.00 -1.50 0.00 0.00 33.47 27.70 3hei s TRP 25 CO 0.18 -1.38 0.70 0.54 -4.62 0.00 0.00 176.95 172.36 3hei s ASN 26 N 3.20 -0.63 0.54 5.86 2.20 -1.26 -3.63 114.94 121.21 3hei s ASN 26 Ca 0.32 0.63 0.36 0.00 -0.94 0.00 0.00 52.86 53.23 3hei s ASN 26 Cb -0.05 0.53 1.72 0.00 -2.00 0.00 0.00 41.25 41.45 3hei s ASN 26 CO -0.08 -0.62 2.07 0.77 -2.94 0.00 0.00 177.10 176.30 3hei h SER 27 N 2.88 0.00 -0.25 3.54 4.64 -2.01 -1.43 113.55 120.92 3hei h SER 27 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hei h SER 27 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3hei h SER 27 CO 0.38 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.80 3hei n SER 28 N -2.90 2.05 -4.61 4.97 3.41 -1.26 -4.80 113.62 110.48 3hei n SER 28 Ca -0.01 -1.81 -0.43 0.00 -0.26 0.00 0.00 58.87 56.36 3hei n SER 28 Cb 0.18 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3hei n SER 28 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hei s ASN 29 N -1.45 6.51 0.39 4.04 3.84 -0.54 -4.90 114.94 122.84 3hei s ASN 29 Ca 0.32 0.87 0.27 0.00 0.21 0.00 0.00 52.86 54.53 3hei s ASN 29 Cb 0.18 -2.54 1.41 0.00 -0.55 0.00 0.00 41.25 39.75 3hei s ASN 29 CO 0.26 -1.28 1.82 1.55 -2.79 0.00 0.00 177.10 176.65 3hei h PRO 30 N 9.91 0.00 0.00 0.43 0.13 -1.89 -2.05 132.00 138.53 3hei h PRO 30 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3hei h PRO 30 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hei h PRO 30 CO 1.08 0.00 -0.06 0.87 -0.23 0.00 0.00 178.00 179.66 3hei h LYS 31 N 0.00 0.00 -0.00 0.86 1.57 -1.95 0.87 116.57 117.91 3hei h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hei h LYS 31 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hei h LYS 31 CO 0.00 0.06 -0.18 1.19 -0.57 0.00 0.00 179.45 179.95 3hei n PHE 32 N -3.40 0.00 0.22 -1.35 3.01 -0.77 -3.85 117.46 111.32 3hei n PHE 32 Ca -0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.58 3hei n PHE 32 Cb 0.20 -0.26 0.77 0.00 -0.01 0.00 0.00 39.48 40.17 3hei n PHE 32 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 3hei h ARG 33 N 0.35 0.00 -0.36 -1.08 0.11 -0.97 -2.11 114.38 110.32 3hei h ARG 33 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hei h ARG 33 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3hei h ARG 33 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3hei n ASN 34 N -4.14 3.83 -2.18 0.08 3.02 -1.26 -4.96 115.26 109.65 3hei n ASN 34 Ca -0.00 -2.61 -0.17 0.00 -0.03 0.00 0.00 54.58 51.77 3hei n ASN 34 Cb 0.21 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3hei n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hei n GLU 35 N 0.12 -1.78 -0.21 3.52 1.02 -0.79 -4.84 120.64 117.69 3hei n GLU 35 Ca 0.19 0.88 0.01 0.00 -0.02 0.00 0.00 57.16 58.23 3hei n GLU 35 Cb 0.77 -5.44 0.02 0.00 -0.02 0.00 0.00 31.44 26.76 3hei n GLU 35 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hei n ASP 36 N -1.68 0.58 -4.68 1.62 5.68 -1.26 -4.93 116.55 111.88 3hei n ASP 36 Ca -0.20 -1.82 -0.60 0.00 -0.50 0.00 0.00 54.79 51.68 3hei n ASP 36 Cb 0.63 -0.14 -0.08 0.00 -1.14 0.00 0.00 41.12 40.39 3hei n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hei n TYR 37 N -0.27 1.92 -4.38 2.11 -0.00 -1.25 -4.90 117.16 110.39 3hei n TYR 37 Ca 0.02 0.67 -0.19 0.00 -0.00 0.00 0.00 57.90 58.40 3hei n TYR 37 Cb 0.57 -2.41 -0.14 0.00 -0.00 0.00 0.00 39.34 37.36 3hei n TYR 37 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 3hei s THR 38 N 3.80 0.80 0.21 2.97 2.01 -1.26 -1.99 115.64 122.17 3hei s THR 38 Ca 1.02 -0.53 0.10 0.00 0.31 0.00 0.00 61.69 62.59 3hei s THR 38 Cb -1.18 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3hei s THR 38 CO 0.69 0.15 -0.19 0.27 -0.69 0.00 0.00 174.62 174.85 3hei s ILE 39 N -0.37 2.08 -0.13 1.82 -4.36 -0.49 -4.98 121.20 114.78 3hei s ILE 39 Ca 0.03 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.34 3hei s ILE 39 Cb -0.05 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.62 3hei s ILE 39 CO -0.00 -0.34 -0.22 -2.28 0.24 0.00 0.00 174.94 172.35 3hei s HIS 40 N -2.22 2.56 0.26 1.37 5.65 -1.26 -1.48 115.29 120.17 3hei s HIS 40 Ca 0.21 -1.22 0.04 0.00 0.25 0.00 0.00 55.06 54.34 3hei s HIS 40 Cb -0.05 -1.74 -0.06 0.00 -1.18 0.00 0.00 32.58 29.55 3hei s HIS 40 CO 0.09 -0.55 0.00 0.14 -0.65 0.00 0.00 174.74 173.78 3hei s VAL 41 N 0.71 1.18 0.15 0.89 -7.23 -0.30 -4.98 120.40 110.82 3hei s VAL 41 Ca -0.10 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 3hei s VAL 41 Cb -0.16 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3hei s VAL 41 CO 0.01 -0.24 0.31 -1.58 -0.31 0.00 0.00 175.10 173.29 3hei s GLN 42 N -3.84 3.48 0.25 4.82 0.74 -1.26 -1.70 119.66 122.14 3hei s GLN 42 Ca 0.31 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 3hei s GLN 42 Cb 0.06 -2.93 -0.15 0.00 1.10 0.00 0.00 33.01 31.10 3hei s GLN 42 CO 0.11 0.49 1.07 -0.11 -0.55 0.00 0.00 175.29 176.31 3hei n LEU 43 N -0.39 1.76 0.00 3.68 7.94 -1.26 -1.38 117.00 127.34 3hei n LEU 43 Ca -0.06 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 3hei n LEU 43 Cb 0.53 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.21 3hei n LEU 43 CO 0.49 -1.33 0.00 0.59 -1.11 0.00 0.00 177.39 176.03 3hei n ASN 44 N 1.54 -1.60 -4.75 1.96 3.02 0.20 -4.70 115.26 110.93 3hei n ASN 44 Ca 0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 3hei n ASN 44 Cb 0.30 -1.14 0.13 0.00 -0.61 0.00 0.00 39.78 38.46 3hei n ASN 44 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hei s ASP 45 N -2.39 3.59 0.10 6.41 1.01 -0.48 0.11 116.67 125.01 3hei s ASP 45 Ca 0.00 1.24 0.07 0.00 0.71 0.00 0.00 52.55 54.57 3hei s ASP 45 Cb 0.00 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 3hei s ASP 45 CO 0.00 -2.53 -0.10 -0.31 0.21 0.00 0.00 175.17 172.44 3hei s TYR 46 N -3.09 2.74 -0.16 4.23 1.51 -0.59 -0.44 117.35 121.55 3hei s TYR 46 Ca 0.63 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.54 3hei s TYR 46 Cb -0.16 -1.44 -0.00 0.00 -0.11 0.00 0.00 41.96 40.25 3hei s TYR 46 CO 0.55 0.42 -0.14 0.54 -1.11 0.00 0.00 175.55 175.81 3hei s VAL 47 N -1.20 2.73 -0.34 0.71 0.11 -0.10 -0.62 120.40 121.70 3hei s VAL 47 Ca 0.21 -0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 58.42 3hei s VAL 47 Cb -0.11 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.59 3hei s VAL 47 CO 0.13 0.51 0.17 -1.81 -3.33 0.00 0.00 175.10 170.77 3hei s ASP 48 N 0.82 5.59 -0.32 3.54 1.01 0.43 -0.69 116.67 127.06 3hei s ASP 48 Ca -0.05 -0.75 -0.16 0.00 0.71 0.00 0.00 52.55 52.30 3hei s ASP 48 Cb -0.15 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 3hei s ASP 48 CO -0.00 -0.28 0.41 -0.63 0.21 0.00 0.00 175.17 174.88 3hei s ILE 49 N 1.57 5.13 -0.27 0.77 1.01 0.13 -0.45 121.20 129.10 3hei s ILE 49 Ca 0.03 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 3hei s ILE 49 Cb -0.18 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3hei s ILE 49 CO 0.06 -0.04 0.16 -0.63 0.00 0.00 0.00 174.94 174.49 3hei s ILE 50 N 2.13 5.10 0.67 2.92 -1.09 0.29 -0.92 121.20 130.31 3hei s ILE 50 Ca 0.15 0.10 -0.13 0.00 -2.23 0.00 0.00 60.65 58.54 3hei s ILE 50 Cb -0.16 -3.41 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3hei s ILE 50 CO 0.11 0.29 1.06 0.00 -1.23 0.00 0.00 174.94 175.18 3hei n PRO 52 N -2.77 1.95 -3.74 0.00 -0.02 -1.24 -4.66 135.00 124.52 3hei n PRO 52 Ca 0.08 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3hei n PRO 52 Cb 0.53 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 3hei n PRO 52 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hei s HIS 53 N -1.08 -0.44 -0.06 6.00 2.46 -1.26 -4.40 115.29 116.51 3hei s HIS 53 Ca 0.56 1.02 0.03 0.00 0.47 0.00 0.00 55.06 57.14 3hei s HIS 53 Cb -0.60 0.16 0.01 0.00 -0.13 0.00 0.00 32.58 32.01 3hei s HIS 53 CO 0.62 -0.23 -0.14 0.71 -2.47 0.00 0.00 174.74 173.23 3hei s TYR 54 N 0.57 1.55 0.30 3.88 1.51 0.33 -5.03 117.35 120.45 3hei s TYR 54 Ca -0.03 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.22 3hei s TYR 54 Cb -0.05 -1.09 -0.12 0.00 -0.11 0.00 0.00 41.96 40.59 3hei s TYR 54 CO -0.03 -0.23 1.48 -1.91 -1.11 0.00 0.00 175.55 173.75 3hei n GLU 55 N 3.51 2.42 0.00 -0.62 2.13 -1.26 -4.55 120.64 122.27 3hei n GLU 55 Ca -0.21 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.47 3hei n GLU 55 Cb 0.52 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.67 3hei n GLU 55 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3hei n ASP 56 N 1.70 0.00 -3.69 4.31 5.75 -1.26 -4.51 116.55 118.85 3hei n ASP 56 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.72 3hei n ASP 56 Cb 0.35 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.37 3hei n ASP 56 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3hei s HIS 57 N -1.50 -0.29 0.00 2.11 3.76 -1.26 -5.03 115.29 113.08 3hei s HIS 57 Ca 0.00 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 3hei s HIS 57 Cb 0.00 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.87 3hei s HIS 57 CO 0.00 -0.47 0.00 -1.13 -0.85 0.00 0.00 174.74 172.29 3hei n SER 58 N 1.05 0.00 -4.34 1.40 3.41 -1.26 -5.05 113.62 108.83 3hei n SER 58 Ca -0.20 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.08 3hei n SER 58 Cb 0.57 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 3hei n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hei s VAL 59 N -2.35 2.58 0.62 -3.33 1.01 -1.26 -5.12 120.40 112.55 3hei s VAL 59 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 3hei s VAL 59 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3hei s VAL 59 CO 0.00 0.56 1.22 0.00 0.00 0.00 0.00 175.10 176.88 3hei n ALA 60 N 3.02 0.97 -0.28 5.51 0.00 -1.26 -4.89 120.51 123.58 3hei n ALA 60 Ca -0.18 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3hei n ALA 60 Cb 0.52 -2.27 0.21 0.00 0.00 0.00 0.00 19.45 17.91 3hei n ALA 60 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hei h ASP 61 N 0.69 0.47 0.71 0.00 5.19 -1.99 -1.43 116.42 120.04 3hei h ASP 61 Ca -0.50 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3hei h ASP 61 Cb 1.34 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3hei h ASP 61 CO 0.53 0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.84 3hei h ALA 62 N 1.55 1.00 0.00 3.45 0.00 -2.02 -2.76 119.26 120.49 3hei h ALA 62 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3hei h ALA 62 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hei h ALA 62 CO -0.37 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.23 3hei h ALA 63 N 2.07 0.66 -2.49 0.00 0.00 -1.61 -3.46 119.26 114.43 3hei h ALA 63 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3hei h ALA 63 Cb 0.35 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hei h ALA 63 CO 0.00 0.00 1.04 -1.64 0.00 0.00 0.00 179.25 178.65 3hei s MET 64 N -3.29 4.17 0.22 0.00 1.00 -1.04 -4.96 119.30 115.39 3hei s MET 64 Ca 0.03 2.46 -0.30 0.00 0.00 0.00 0.00 55.69 57.88 3hei s MET 64 Cb 0.09 -3.56 -0.08 0.00 0.00 0.00 0.00 34.83 31.27 3hei s MET 64 CO 0.74 -0.78 1.12 -1.21 0.00 0.00 0.00 175.02 174.89 3hei s GLU 65 N 2.57 4.59 -0.03 2.03 2.02 -1.26 -4.74 118.70 123.88 3hei s GLU 65 Ca 0.77 1.78 -0.02 0.00 0.02 0.00 0.00 54.97 57.51 3hei s GLU 65 Cb -0.43 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.57 3hei s GLU 65 CO 0.34 0.10 0.07 -0.65 0.02 0.00 0.00 175.26 175.14 3hei s GLN 66 N -0.75 0.07 0.05 1.61 -0.21 -1.26 -4.63 119.66 114.54 3hei s GLN 66 Ca 0.48 0.11 0.04 0.00 0.02 0.00 0.00 55.36 56.01 3hei s GLN 66 Cb -0.31 0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.69 3hei s GLN 66 CO 0.37 -0.03 -0.11 0.71 -2.12 0.00 0.00 175.29 174.12 3hei s TYR 67 N 0.15 0.93 -0.19 0.91 2.02 -1.00 0.25 117.35 120.41 3hei s TYR 67 Ca -0.01 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.11 3hei s TYR 67 Cb -0.02 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 3hei s TYR 67 CO -0.00 -0.01 0.36 0.42 -1.57 0.00 0.00 175.55 174.75 3hei s ILE 68 N -1.17 5.23 -0.16 2.71 1.01 0.66 0.58 121.20 130.07 3hei s ILE 68 Ca -0.05 0.64 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 3hei s ILE 68 Cb -0.09 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3hei s ILE 68 CO 0.01 0.29 0.11 -0.76 0.00 0.00 0.00 174.94 174.59 3hei s LEU 69 N 1.09 4.13 0.08 2.97 1.43 -0.25 -0.96 118.68 127.18 3hei s LEU 69 Ca 0.18 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3hei s LEU 69 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3hei s LEU 69 CO 0.07 0.28 -0.22 -0.31 0.23 0.00 0.00 176.35 176.40 3hei s TYR 70 N -0.24 1.91 -0.32 0.29 1.51 0.78 0.14 117.35 121.41 3hei s TYR 70 Ca 0.10 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 3hei s TYR 70 Cb -0.12 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 3hei s TYR 70 CO 0.01 0.19 0.11 -1.17 -1.11 0.00 0.00 175.55 173.57 3hei s LEU 71 N -1.66 4.10 0.30 -1.29 2.96 -0.86 -1.31 118.68 120.91 3hei s LEU 71 Ca 0.08 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.16 3hei s LEU 71 Cb -0.10 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 3hei s LEU 71 CO 0.04 -0.25 0.06 0.68 -1.32 0.00 0.00 176.35 175.56 3hei s VAL 72 N 1.48 0.98 0.79 1.68 -7.23 -0.27 -4.80 120.40 113.03 3hei s VAL 72 Ca 0.01 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 3hei s VAL 72 Cb -0.18 -2.71 0.09 0.00 0.56 0.00 0.00 36.38 34.15 3hei s VAL 72 CO 0.03 -0.03 1.14 -1.61 -0.31 0.00 0.00 175.10 174.32 3hei s GLU 73 N -3.93 1.83 0.27 4.82 0.41 -1.26 -3.76 118.70 117.08 3hei s GLU 73 Ca 0.36 -0.15 -0.02 0.00 -0.41 0.00 0.00 54.97 54.75 3hei s GLU 73 Cb 0.08 -2.03 0.41 0.00 -1.78 0.00 0.00 34.13 30.81 3hei s GLU 73 CO 0.14 -1.59 1.89 1.25 -0.49 0.00 0.00 175.26 176.46 3hei h HIS 74 N -0.96 1.20 -0.69 1.61 2.76 -1.96 -0.74 115.15 116.36 3hei h HIS 74 Ca -0.45 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.71 3hei h HIS 74 Cb 1.31 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.84 3hei h HIS 74 CO 0.08 0.63 0.26 0.93 -1.30 0.00 0.00 177.93 178.53 3hei h GLU 75 N 1.18 1.04 -0.55 5.26 3.07 -1.99 0.16 114.58 122.75 3hei h GLU 75 Ca 0.43 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 3hei h GLU 75 Cb 0.15 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3hei h GLU 75 CO -0.16 0.87 0.11 0.93 -1.40 0.00 0.00 179.01 179.36 3hei h GLU 76 N 0.99 0.90 -0.13 2.33 3.07 -1.55 -1.63 114.58 118.55 3hei h GLU 76 Ca 0.23 -0.23 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3hei h GLU 76 Cb 0.23 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 3hei h GLU 76 CO -0.02 0.86 -0.12 -0.92 -1.40 0.00 0.00 179.01 177.41 3hei h TYR 77 N 0.79 -0.30 -0.68 4.33 3.20 -0.73 0.33 116.97 123.91 3hei h TYR 77 Ca 0.17 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3hei h TYR 77 Cb 0.38 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 3hei h TYR 77 CO 0.03 -0.18 0.40 1.96 -1.64 0.00 0.00 178.16 178.73 3hei h GLN 78 N -0.14 0.75 0.00 1.82 1.08 -0.35 -1.49 115.11 116.77 3hei h GLN 78 Ca 0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3hei h GLN 78 Cb 0.27 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3hei h GLN 78 CO -0.22 0.49 0.00 1.28 -0.95 0.00 0.00 178.83 179.44 3hei n LEU 79 N -4.72 0.60 -4.03 1.46 4.77 -0.65 -4.94 117.00 109.49 3hei n LEU 79 Ca 0.08 0.60 -0.30 0.00 -0.03 0.00 0.00 56.01 56.35 3hei n LEU 79 Cb 0.13 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 3hei n LEU 79 CO 0.31 -0.32 -0.08 0.00 -1.33 0.00 0.00 177.39 175.98 3hei s GLN 81 N -6.68 0.14 0.66 0.00 2.00 -0.81 -4.99 119.66 109.97 3hei s GLN 81 Ca 0.42 0.42 -0.15 0.00 -2.00 0.00 0.00 55.36 54.05 3hei s GLN 81 Cb -0.22 -0.15 -0.00 0.00 0.80 0.00 0.00 33.01 33.44 3hei s GLN 81 CO 0.89 -0.16 1.11 -1.25 -0.50 0.00 0.00 175.29 175.38 3hei s PRO 82 N 1.17 2.81 0.37 1.67 0.04 -1.26 -4.59 135.00 135.21 3hei s PRO 82 Ca -0.09 1.39 0.23 0.00 0.04 0.00 0.00 61.00 62.57 3hei s PRO 82 Cb -0.11 -1.95 0.25 0.00 0.04 0.00 0.00 34.50 32.73 3hei s PRO 82 CO -0.07 -1.24 1.45 0.37 0.04 0.00 0.00 177.00 177.55 3hei h GLN 83 N 0.04 0.00 -1.30 4.56 4.15 -1.98 -3.48 115.11 117.09 3hei h GLN 83 Ca -0.47 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.15 3hei h GLN 83 Cb 1.25 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.69 3hei h GLN 83 CO 0.54 0.00 0.80 0.45 -1.93 0.00 0.00 178.83 178.69 3hei s SER 84 N -5.93 -0.16 0.62 -0.69 0.15 -1.26 -4.99 113.70 101.43 3hei s SER 84 Ca 0.05 0.14 0.28 0.00 0.70 0.00 0.00 55.95 57.13 3hei s SER 84 Cb 0.06 0.14 1.48 0.00 -1.71 0.00 0.00 66.02 66.00 3hei s SER 84 CO 0.70 -0.17 1.88 0.50 1.20 0.00 0.00 173.24 177.35 3hei h LYS 85 N 2.20 0.00 0.00 5.44 3.64 -2.01 -0.50 116.57 125.34 3hei h LYS 85 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3hei h LYS 85 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hei h LYS 85 CO 0.25 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.18 3hei n ASP 86 N -3.40 0.31 -0.02 4.20 10.43 -1.26 -1.92 116.55 124.89 3hei n ASP 86 Ca 0.05 0.62 0.11 0.00 2.57 0.00 0.00 54.79 58.14 3hei n ASP 86 Cb 0.59 -0.67 0.10 0.00 1.84 0.00 0.00 41.12 42.98 3hei n ASP 86 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hei n GLN 87 N -1.89 0.06 -1.60 -1.24 6.02 -0.20 -4.90 117.38 113.64 3hei n GLN 87 Ca 0.01 -0.04 -0.51 0.00 -0.01 0.00 0.00 57.00 56.44 3hei n GLN 87 Cb 0.09 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 3hei n GLN 87 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3hei n VAL 88 N -1.43 0.13 -0.08 5.09 0.31 -0.81 -2.03 118.33 119.52 3hei n VAL 88 Ca 0.05 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 3hei n VAL 88 Cb 0.34 -0.89 -0.09 0.00 -0.91 0.00 0.00 33.84 32.29 3hei n VAL 88 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hei n ARG 89 N 2.49 0.86 -3.62 5.55 3.00 0.12 -4.83 116.66 120.22 3hei n ARG 89 Ca 0.18 0.07 -0.00 0.00 -0.00 0.00 0.00 57.85 58.09 3hei n ARG 89 Cb 0.21 -1.35 -0.01 0.00 0.00 0.00 0.00 32.46 31.31 3hei n ARG 89 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3hei s TRP 90 N -2.34 -0.01 -0.10 -0.14 -0.11 -1.15 -5.04 118.94 110.05 3hei s TRP 90 Ca -0.18 0.00 0.02 0.00 1.22 0.00 0.00 56.10 57.17 3hei s TRP 90 Cb 0.05 0.50 0.01 0.00 -1.50 0.00 0.00 33.47 32.54 3hei s TRP 90 CO 0.45 -0.03 -0.16 -0.65 -4.62 0.00 0.00 176.95 171.94 3hei s GLN 91 N -2.06 2.24 -1.31 5.86 -0.21 -1.26 -1.09 119.66 121.83 3hei s GLN 91 Ca 0.13 -0.58 -0.15 0.00 0.02 0.00 0.00 55.36 54.77 3hei s GLN 91 Cb 0.02 -1.86 0.10 0.00 1.00 0.00 0.00 33.01 32.26 3hei s GLN 91 CO -0.04 -0.02 1.80 0.00 -2.12 0.00 0.00 175.29 174.91 3hei n ASN 93 N 6.83 1.78 -3.19 0.00 0.23 -1.26 -2.37 115.26 117.27 3hei n ASN 93 Ca 0.46 -3.83 -0.21 0.00 -0.53 0.00 0.00 54.58 50.47 3hei n ASN 93 Cb 0.43 -0.52 -0.05 0.00 -2.08 0.00 0.00 39.78 37.56 3hei n ASN 93 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hei n ARG 94 N -1.15 0.88 0.28 -3.83 1.74 -1.26 -4.95 116.66 108.37 3hei n ARG 94 Ca 0.19 -3.33 0.17 0.00 -0.77 0.00 0.00 57.85 54.10 3hei n ARG 94 Cb 0.69 -1.48 0.72 0.00 -1.02 0.00 0.00 32.46 31.36 3hei n ARG 94 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hei h PRO 95 N 3.48 0.00 -0.57 5.56 0.13 -1.86 -2.79 132.00 135.95 3hei h PRO 95 Ca 0.09 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.80 3hei h PRO 95 Cb 0.92 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.70 3hei h PRO 95 CO 0.49 0.04 -0.79 -1.13 -0.23 0.00 0.00 178.00 176.38 3hei n SER 96 N -3.16 3.99 -4.74 1.44 3.41 -1.26 -0.51 113.62 112.78 3hei n SER 96 Ca -0.00 -3.61 -0.41 0.00 -0.26 0.00 0.00 58.87 54.59 3hei n SER 96 Cb 0.29 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3hei n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hei n ALA 97 N -0.75 1.85 0.01 7.33 0.00 -1.05 -4.86 120.51 123.03 3hei n ALA 97 Ca 0.36 0.32 -0.07 0.00 0.00 0.00 0.00 53.44 54.04 3hei n ALA 97 Cb 0.91 -2.35 0.10 0.00 0.00 0.00 0.00 19.45 18.11 3hei n ALA 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hei h LYS 98 N 2.57 0.51 0.00 0.00 1.57 -1.96 -3.24 116.57 116.02 3hei h LYS 98 Ca -0.49 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 57.98 3hei h LYS 98 Cb 1.27 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 3hei h LYS 98 CO 0.62 0.87 -0.14 1.12 -0.57 0.00 0.00 179.45 181.36 3hei h HIS 99 N 0.41 0.00 0.00 -1.35 2.07 -2.00 -3.49 115.15 110.79 3hei h HIS 99 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3hei h HIS 99 Cb 0.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.95 3hei h HIS 99 CO 0.04 0.14 0.00 0.41 -3.07 0.00 0.00 177.93 175.44 3hei n GLY 100 N -0.41 1.00 3.76 6.13 0.00 -1.22 -5.10 105.19 109.35 3hei n GLY 100 Ca -0.01 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 3hei n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hei s PRO 101 N -1.23 3.57 0.52 1.61 0.02 -1.26 -4.58 135.00 133.66 3hei s PRO 101 Ca 0.00 2.19 -0.23 0.00 0.02 0.00 0.00 61.00 62.98 3hei s PRO 101 Cb 0.00 -2.50 -0.06 0.00 0.02 0.00 0.00 34.50 31.96 3hei s PRO 101 CO 0.00 -0.83 1.39 -2.00 -0.33 0.00 0.00 177.00 175.23 3hei s GLU 102 N -2.60 3.26 -0.08 5.54 2.56 -1.26 -4.88 118.70 121.24 3hei s GLU 102 Ca 0.64 2.31 -0.05 0.00 0.00 0.00 0.00 54.97 57.86 3hei s GLU 102 Cb -0.39 -2.36 0.03 0.00 2.00 0.00 0.00 34.13 33.42 3hei s GLU 102 CO 0.48 -1.12 0.21 0.21 -0.56 0.00 0.00 175.26 174.48 3hei s LYS 103 N -2.80 0.19 -0.31 4.30 2.20 -1.26 -0.83 119.74 121.23 3hei s LYS 103 Ca 0.69 0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 56.60 3hei s LYS 103 Cb -0.42 -0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 35.86 3hei s LYS 103 CO 0.51 -0.11 0.15 -1.17 -0.36 0.00 0.00 175.35 174.37 3hei s LEU 104 N 0.75 4.13 -0.41 5.43 2.96 -0.10 -4.95 118.68 126.50 3hei s LEU 104 Ca -0.05 -0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 53.20 3hei s LEU 104 Cb -0.07 -1.99 0.08 0.00 0.50 0.00 0.00 46.19 44.71 3hei s LEU 104 CO -0.04 -0.21 0.24 -0.44 -1.32 0.00 0.00 176.35 174.58 3hei s SER 105 N 1.60 5.57 -0.23 3.68 0.01 -1.26 0.22 113.70 123.29 3hei s SER 105 Ca 0.04 -1.54 -0.12 0.00 1.31 0.00 0.00 55.95 55.64 3hei s SER 105 Cb -0.17 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 3hei s SER 105 CO 0.06 -0.52 0.24 -0.70 0.41 0.00 0.00 173.24 172.73 3hei s GLU 106 N 1.39 4.11 -0.15 12.44 2.56 0.14 -4.94 118.70 134.24 3hei s GLU 106 Ca 0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 54.97 54.71 3hei s GLU 106 Cb -0.23 -3.54 -0.04 0.00 2.00 0.00 0.00 34.13 32.33 3hei s GLU 106 CO 0.01 0.03 0.49 0.21 -0.56 0.00 0.00 175.26 175.44 3hei s LYS 107 N 1.14 4.28 -1.33 4.30 2.20 -1.26 -0.93 119.74 128.14 3hei s LYS 107 Ca 0.11 0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 56.05 3hei s LYS 107 Cb -0.14 -3.49 0.13 0.00 -1.51 0.00 0.00 37.83 32.82 3hei s LYS 107 CO 0.06 0.04 2.00 1.19 -0.36 0.00 0.00 175.35 178.28 3hei n PHE 108 N 4.12 3.06 -3.73 4.03 3.01 0.42 -4.94 117.46 123.42 3hei n PHE 108 Ca -0.06 -2.84 -0.32 0.00 1.01 0.00 0.00 57.45 55.24 3hei n PHE 108 Cb 0.51 -2.11 -0.05 0.00 -0.01 0.00 0.00 39.48 37.83 3hei n PHE 108 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3hei s GLN 109 N 1.08 3.58 0.17 -1.08 -2.07 -1.26 0.63 119.66 120.72 3hei s GLN 109 Ca 0.42 -0.15 -0.08 0.00 -1.82 0.00 0.00 55.36 53.73 3hei s GLN 109 Cb 0.11 -2.92 0.05 0.00 -1.09 0.00 0.00 33.01 29.17 3hei s GLN 109 CO -0.02 0.52 1.54 -0.09 -1.32 0.00 0.00 175.29 175.91 3hei h ARG 110 N 3.02 0.86 -5.35 9.60 9.65 -1.92 -0.78 114.38 129.46 3hei h ARG 110 Ca -0.46 -0.41 -0.49 0.00 -1.10 0.00 0.00 59.98 57.52 3hei h ARG 110 Cb 1.17 -0.01 -0.29 0.00 -1.39 0.00 0.00 29.97 29.46 3hei h ARG 110 CO 0.72 1.06 -0.81 -0.06 2.80 0.00 0.00 179.97 183.68 3hei s PHE 111 N -4.47 1.30 0.05 2.20 0.08 -1.26 -4.01 117.98 111.87 3hei s PHE 111 Ca -0.10 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.75 3hei s PHE 111 Cb 0.12 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.72 3hei s PHE 111 CO 0.86 -0.01 -0.18 -0.08 -0.10 0.00 0.00 175.22 175.71 3hei s THR 112 N -0.41 1.47 -2.08 0.64 -1.32 -1.26 -5.03 115.64 107.66 3hei s THR 112 Ca 0.05 -1.18 0.31 0.00 -1.21 0.00 0.00 61.69 59.66 3hei s THR 112 Cb -0.06 -1.30 0.83 0.00 -1.51 0.00 0.00 72.50 70.46 3hei s THR 112 CO -0.00 0.09 2.13 -0.81 -2.21 0.00 0.00 174.62 173.82 3hei n PRO 113 N 1.74 1.11 -4.03 7.08 -0.04 -1.26 -4.77 135.00 134.82 3hei n PRO 113 Ca -0.18 -0.18 -0.32 0.00 -0.04 0.00 0.00 63.50 62.78 3hei n PRO 113 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 3hei n PRO 113 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3hei s PHE 114 N -2.02 3.43 0.35 0.54 5.36 -1.26 -5.06 117.98 119.32 3hei s PHE 114 Ca 0.46 -2.50 -0.28 0.00 -0.96 0.00 0.00 56.93 53.65 3hei s PHE 114 Cb 0.22 -2.29 -0.09 0.00 -0.34 0.00 0.00 43.02 40.52 3hei s PHE 114 CO 0.37 -0.90 1.23 0.95 -1.46 0.00 0.00 175.22 175.41 3hei s THR 115 N 1.05 2.96 0.00 0.12 -4.23 -1.26 -0.75 115.64 113.53 3hei s THR 115 Ca -0.02 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 3hei s THR 115 Cb -0.20 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.09 3hei s THR 115 CO -0.06 0.17 0.00 0.18 -0.54 0.00 0.00 174.62 174.38 3hei n LEU 116 N 0.59 0.00 -4.93 4.79 4.77 -1.26 -5.08 117.00 115.88 3hei n LEU 116 Ca 0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 3hei n LEU 116 Cb 0.44 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3hei n LEU 116 CO 0.55 0.00 0.55 -0.83 -1.33 0.00 0.00 177.39 176.33 3hei s GLY 117 N -2.75 1.66 -0.08 -0.72 0.00 0.07 -5.12 107.32 100.40 3hei s GLY 117 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3hei s GLY 117 CO 0.00 -0.54 0.08 1.25 0.00 0.00 0.00 173.10 173.89 3hei s LYS 118 N -5.07 3.19 -0.08 2.90 2.47 -1.26 -5.00 119.74 116.89 3hei s LYS 118 Ca 0.57 -0.32 -0.06 0.00 -1.56 0.00 0.00 55.97 54.60 3hei s LYS 118 Cb -0.11 -2.97 -0.04 0.00 -1.46 0.00 0.00 37.83 33.26 3hei s LYS 118 CO 0.44 0.72 0.17 -1.21 0.16 0.00 0.00 175.35 175.62 3hei s GLU 119 N -1.19 3.46 0.03 4.03 2.02 -1.26 -4.76 118.70 121.04 3hei s GLU 119 Ca 0.17 -0.17 0.05 0.00 0.02 0.00 0.00 54.97 55.03 3hei s GLU 119 Cb -0.12 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 3hei s GLU 119 CO 0.06 0.74 -0.15 -0.06 0.02 0.00 0.00 175.26 175.88 3hei s PHE 120 N -1.14 1.28 -0.01 1.61 0.40 -0.30 -5.01 117.98 114.81 3hei s PHE 120 Ca 0.20 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 3hei s PHE 120 Cb -0.12 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 3hei s PHE 120 CO 0.10 0.03 -0.12 0.15 0.70 0.00 0.00 175.22 176.08 3hei s LYS 121 N -1.04 0.98 0.26 0.44 1.02 -1.26 -3.74 119.74 116.40 3hei s LYS 121 Ca 0.03 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.25 3hei s LYS 121 Cb -0.08 -0.95 -0.13 0.00 -0.52 0.00 0.00 37.83 36.16 3hei s LYS 121 CO 0.01 0.26 1.50 0.39 -0.92 0.00 0.00 175.35 176.59 3hei n GLU 122 N 2.71 2.35 -1.00 1.68 1.02 -1.26 -2.42 120.64 123.72 3hei n GLU 122 Ca -0.14 0.84 -0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3hei n GLU 122 Cb 0.56 -2.56 -0.00 0.00 -0.02 0.00 0.00 31.44 29.42 3hei n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hei n GLY 123 N 2.24 0.47 3.59 0.62 0.00 0.18 -4.71 105.19 107.57 3hei n GLY 123 Ca 0.10 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3hei n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hei s HIS 124 N -2.00 2.48 0.15 1.61 3.76 -1.02 -4.94 115.29 115.34 3hei s HIS 124 Ca 0.00 -0.43 0.10 0.00 -0.15 0.00 0.00 55.06 54.59 3hei s HIS 124 Cb 0.00 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 3hei s HIS 124 CO 0.00 0.55 -0.24 -1.12 -0.85 0.00 0.00 174.74 173.08 3hei s SER 125 N -3.65 3.13 0.14 1.40 0.01 -1.26 -0.87 113.70 112.60 3hei s SER 125 Ca 0.33 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3hei s SER 125 Cb -0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 3hei s SER 125 CO 0.18 0.11 0.02 -0.31 0.41 0.00 0.00 173.24 173.65 3hei s TYR 126 N -1.38 0.99 -0.03 2.43 2.02 0.10 -4.97 117.35 116.51 3hei s TYR 126 Ca 0.15 -1.11 -0.03 0.00 -0.37 0.00 0.00 57.07 55.71 3hei s TYR 126 Cb -0.09 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3hei s TYR 126 CO 0.07 -0.35 0.09 0.71 -1.57 0.00 0.00 175.55 174.49 3hei s TYR 127 N -3.84 -0.09 0.01 2.71 1.51 -1.25 -0.20 117.35 116.20 3hei s TYR 127 Ca 0.22 0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.61 3hei s TYR 127 Cb 0.07 -0.01 -0.02 0.00 -0.11 0.00 0.00 41.96 41.89 3hei s TYR 127 CO 0.01 -0.06 -0.25 0.71 -1.11 0.00 0.00 175.55 174.85 3hei s TYR 128 N 0.29 2.24 0.20 2.71 2.02 0.24 -1.12 117.35 123.93 3hei s TYR 128 Ca -0.02 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 3hei s TYR 128 Cb -0.03 -1.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 3hei s TYR 128 CO -0.01 0.02 -0.00 0.96 -1.57 0.00 0.00 175.55 174.95 3hei s ILE 129 N -0.67 0.86 0.26 2.71 -4.36 -0.43 -0.51 121.20 119.07 3hei s ILE 129 Ca 0.10 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 3hei s ILE 129 Cb -0.10 -2.22 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 3hei s ILE 129 CO 0.00 -0.41 -0.03 -0.94 0.24 0.00 0.00 174.94 173.81 3hei s SER 130 N -3.24 2.31 -0.04 4.36 1.04 -0.89 -0.16 113.70 117.08 3hei s SER 130 Ca 0.26 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.52 3hei s SER 130 Cb 0.06 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 3hei s SER 130 CO 0.06 -0.44 -0.18 -0.54 0.98 0.00 0.00 173.24 173.12 3hei s LYS 131 N -3.80 1.85 0.20 4.02 -0.14 -0.13 -4.63 119.74 117.11 3hei s LYS 131 Ca 0.29 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 53.96 3hei s LYS 131 Cb 0.05 -1.62 -0.08 0.00 -1.68 0.00 0.00 37.83 34.50 3hei s LYS 131 CO 0.11 0.27 1.15 -1.25 -0.76 0.00 0.00 175.35 174.87 3hei s PRO 132 N -0.02 4.55 -0.04 -1.68 0.04 -1.26 -0.24 135.00 136.34 3hei s PRO 132 Ca -0.03 1.81 0.07 0.00 0.04 0.00 0.00 61.00 62.89 3hei s PRO 132 Cb -0.11 -3.24 -0.24 0.00 0.04 0.00 0.00 34.50 30.94 3hei s PRO 132 CO 0.02 0.02 0.68 0.82 0.04 0.00 0.00 177.00 178.58 3hei h ILE 133 N 3.62 0.90 0.00 0.56 2.04 -0.55 -3.34 117.51 120.75 3hei h ILE 133 Ca -0.45 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 62.71 3hei h ILE 133 Cb 1.21 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 3hei h ILE 133 CO 0.72 0.64 0.00 0.00 0.00 0.00 0.00 178.15 179.51 3hei n HIS 134 N -3.20 0.00 -1.03 1.37 1.44 -1.24 -4.86 115.22 107.70 3hei n HIS 134 Ca -0.18 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.52 3hei n HIS 134 Cb 1.04 -0.13 -0.00 0.00 0.12 0.00 0.00 29.99 31.02 3hei n HIS 134 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 3hei n GLN 135 N -1.13 -0.64 -0.60 -1.40 7.27 -1.25 -4.84 117.38 114.79 3hei n GLN 135 Ca 0.12 0.24 -0.15 0.00 0.07 0.00 0.00 57.00 57.28 3hei n GLN 135 Cb 0.11 -3.78 -0.03 0.00 2.41 0.00 0.00 30.24 28.94 3hei n GLN 135 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3hei n HIS 136 N -2.69 0.86 -0.91 3.69 8.25 -1.26 -4.82 115.22 118.35 3hei n HIS 136 Ca -0.01 -1.49 -0.10 0.00 -0.26 0.00 0.00 57.72 55.86 3hei n HIS 136 Cb 0.17 -1.38 -0.15 0.00 1.12 0.00 0.00 29.99 29.76 3hei n HIS 136 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3hei n GLU 137 N 3.89 1.82 -3.74 -0.41 4.07 -1.26 -4.68 120.64 120.34 3hei n GLU 137 Ca 0.34 -0.85 -0.21 0.00 -0.06 0.00 0.00 57.16 56.37 3hei n GLU 137 Cb 0.20 -1.87 -0.04 0.00 -0.06 0.00 0.00 31.44 29.68 3hei n GLU 137 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3hei s ASP 138 N 2.03 5.16 0.09 4.31 -1.08 -1.26 -5.06 116.67 120.86 3hei s ASP 138 Ca 0.57 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 3hei s ASP 138 Cb 0.27 -0.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.92 3hei s ASP 138 CO 0.00 -0.46 0.00 0.54 0.52 0.00 0.00 175.17 175.77 3hei n ARG 139 N -1.42 -1.84 -3.09 4.34 1.74 -1.26 -4.97 116.66 110.15 3hei n ARG 139 Ca 0.00 1.56 -0.40 0.00 -0.77 0.00 0.00 57.85 58.24 3hei n ARG 139 Cb 0.61 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 3hei n ARG 139 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hei s LEU 141 N 2.31 3.95 0.16 0.00 1.43 -1.26 -4.83 118.68 120.43 3hei s LEU 141 Ca 0.28 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 3hei s LEU 141 Cb -0.16 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3hei s LEU 141 CO 0.09 0.05 0.32 0.00 0.23 0.00 0.00 176.35 177.04 3hei s ARG 142 N 1.15 1.16 -0.09 1.70 1.70 -1.26 -2.10 118.95 121.22 3hei s ARG 142 Ca 0.06 -1.08 -0.07 0.00 -0.47 0.00 0.00 55.73 54.17 3hei s ARG 142 Cb -0.14 0.40 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 3hei s ARG 142 CO 0.05 -0.44 0.22 -1.17 -1.08 0.00 0.00 175.30 172.88 3hei s LEU 143 N -2.93 1.07 -0.13 -1.89 2.96 0.34 -4.52 118.68 113.57 3hei s LEU 143 Ca 0.14 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.48 3hei s LEU 143 Cb 0.03 0.75 -0.03 0.00 0.50 0.00 0.00 46.19 47.44 3hei s LEU 143 CO -0.02 -0.09 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.12 3hei s LYS 144 N 0.26 3.42 -0.14 1.98 2.20 -0.84 -0.59 119.74 126.01 3hei s LYS 144 Ca -0.01 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 3hei s LYS 144 Cb -0.03 -2.81 0.01 0.00 -1.51 0.00 0.00 37.83 33.49 3hei s LYS 144 CO -0.01 0.35 -0.20 0.08 -0.36 0.00 0.00 175.35 175.22 3hei s VAL 145 N 0.04 1.94 -0.17 4.02 1.01 0.72 -1.39 120.40 126.57 3hei s VAL 145 Ca -0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 3hei s VAL 145 Cb -0.14 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3hei s VAL 145 CO 0.03 0.52 0.01 -0.89 0.00 0.00 0.00 175.10 174.77 3hei s THR 146 N 0.99 4.32 -0.25 3.92 2.01 -0.55 0.03 115.64 126.12 3hei s THR 146 Ca -0.04 -0.20 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 3hei s THR 146 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3hei s THR 146 CO -0.05 0.48 0.28 -0.69 -0.69 0.00 0.00 174.62 173.95 3hei s VAL 147 N 0.33 5.26 0.74 3.82 1.01 -0.04 -1.15 120.40 130.36 3hei s VAL 147 Ca -0.01 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 3hei s VAL 147 Cb -0.13 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.67 3hei s VAL 147 CO 0.02 0.25 1.08 -1.59 0.00 0.00 0.00 175.10 174.86 3hei s LYS 148 N 1.55 2.50 0.00 2.72 0.00 -0.69 0.49 119.74 126.31 3hei s LYS 148 Ca 0.12 1.12 0.25 0.00 0.00 0.00 0.00 55.97 57.46 3hei s LYS 148 Cb -0.15 -1.93 0.41 0.00 0.00 0.00 0.00 37.83 36.16 3hei s LYS 148 CO 0.08 -1.45 1.39 1.51 0.00 0.00 0.00 175.35 176.88