#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 6.73 -0.03 0.00 -0.00 -1.26 -5.01 116.67 117.10 3hei s ASP 19 Ca 0.00 0.92 0.03 0.00 -0.00 0.00 0.00 52.55 53.50 3hei s ASP 19 Cb 0.00 -2.23 -0.03 0.00 -0.00 0.00 0.00 42.92 40.66 3hei s ASP 19 CO 0.00 0.18 -0.12 -0.13 -0.00 0.00 0.00 175.17 175.10 3hei s ARG 20 N -1.78 2.52 -0.19 8.23 0.52 -1.26 -1.51 118.95 125.47 3hei s ARG 20 Ca 0.33 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3hei s ARG 20 Cb -0.15 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3hei s ARG 20 CO 0.18 0.62 -0.12 -1.01 0.02 0.00 0.00 175.30 174.99 3hei s HIS 21 N -0.83 2.87 -0.21 -0.53 3.76 0.38 -4.96 115.29 115.77 3hei s HIS 21 Ca 0.13 -1.19 -0.16 0.00 -0.15 0.00 0.00 55.06 53.69 3hei s HIS 21 Cb -0.11 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 3hei s HIS 21 CO 0.03 -0.62 0.42 0.99 -0.85 0.00 0.00 174.74 174.71 3hei s THR 22 N 1.28 5.18 -0.22 1.30 2.01 -1.26 0.14 115.64 124.06 3hei s THR 22 Ca 0.03 0.74 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 3hei s THR 22 Cb -0.14 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.64 3hei s THR 22 CO -0.06 0.23 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.32 3hei s VAL 23 N 1.45 2.82 -0.53 3.82 1.01 0.53 -4.94 120.40 124.56 3hei s VAL 23 Ca 0.20 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3hei s VAL 23 Cb -0.15 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3hei s VAL 23 CO 0.08 0.36 0.86 -0.36 0.00 0.00 0.00 175.10 176.04 3hei s PHE 24 N 1.36 2.87 -1.08 5.22 0.40 -1.26 -0.76 117.98 124.74 3hei s PHE 24 Ca 0.03 -0.10 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 3hei s PHE 24 Cb -0.15 -3.91 0.15 0.00 0.51 0.00 0.00 43.02 39.62 3hei s PHE 24 CO -0.06 -1.24 1.30 -0.46 0.70 0.00 0.00 175.22 175.46 3hei s TRP 25 N 3.59 3.28 0.11 0.36 -0.11 0.37 -4.80 118.94 121.74 3hei s TRP 25 Ca 0.27 -1.74 -0.18 0.00 1.22 0.00 0.00 56.10 55.67 3hei s TRP 25 Cb -0.14 -4.32 0.04 0.00 -1.50 0.00 0.00 33.47 27.55 3hei s TRP 25 CO 0.18 -1.47 0.44 0.54 -4.62 0.00 0.00 176.95 172.02 3hei s ASN 26 N 3.31 -0.30 0.31 5.86 2.20 -1.26 -3.70 114.94 121.36 3hei s ASN 26 Ca 0.39 -0.19 0.26 0.00 -0.94 0.00 0.00 52.86 52.38 3hei s ASN 26 Cb -0.03 0.48 0.98 0.00 -2.00 0.00 0.00 41.25 40.67 3hei s ASN 26 CO -0.04 -0.82 1.77 0.77 -2.94 0.00 0.00 177.10 175.83 3hei h SER 27 N 2.46 0.00 -0.33 3.54 4.64 -2.01 -2.84 113.55 119.01 3hei h SER 27 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3hei h SER 27 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hei h SER 27 CO 0.45 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.87 3hei n SER 28 N -2.44 2.22 -4.58 4.97 3.41 -1.26 -4.79 113.62 111.14 3hei n SER 28 Ca 0.03 -1.89 -0.43 0.00 -0.26 0.00 0.00 58.87 56.32 3hei n SER 28 Cb 0.30 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.28 6.56 0.58 4.04 3.84 -1.07 -4.93 114.94 122.68 3hei s ASN 29 Ca 0.32 0.28 0.28 0.00 0.21 0.00 0.00 52.86 53.95 3hei s ASN 29 Cb 0.17 -2.50 1.54 0.00 -0.55 0.00 0.00 41.25 39.91 3hei s ASN 29 CO 0.24 -1.15 1.99 -0.65 -2.79 0.00 0.00 177.10 174.74 3hei h PRO 30 N 9.16 0.00 -0.08 0.43 0.11 -1.90 -1.67 132.00 138.05 3hei h PRO 30 Ca -0.24 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.90 3hei h PRO 30 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hei h PRO 30 CO 1.08 0.00 0.09 0.87 -0.21 0.00 0.00 178.00 179.83 3hei h LYS 31 N 0.00 0.00 -0.01 1.05 1.57 -1.97 -1.01 116.57 116.21 3hei h LYS 31 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3hei h LYS 31 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3hei h LYS 31 CO -0.00 0.00 -0.20 1.19 -0.57 0.00 0.00 179.45 179.87 3hei n PHE 32 N -3.80 0.00 0.18 -1.35 3.01 -0.63 -4.07 117.46 110.80 3hei n PHE 32 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.54 3hei n PHE 32 Cb 0.19 -0.16 0.60 0.00 -0.01 0.00 0.00 39.48 40.11 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 0.89 0.11 -0.33 -1.08 0.11 -1.35 -2.09 114.38 110.64 3hei h ARG 33 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3hei h ARG 33 Cb 0.44 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3hei h ARG 33 CO 0.00 0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.23 3hei n ASN 34 N -4.51 3.55 -1.73 0.08 3.02 -1.26 -4.95 115.26 109.46 3hei n ASN 34 Ca -0.00 -2.53 -0.18 0.00 -0.03 0.00 0.00 54.58 51.84 3hei n ASN 34 Cb 0.15 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.07 -1.34 -0.23 3.52 1.02 -0.78 -4.86 120.64 118.05 3hei n GLU 35 Ca 0.17 0.98 0.02 0.00 -0.02 0.00 0.00 57.16 58.31 3hei n GLU 35 Cb 0.69 -5.36 0.02 0.00 -0.02 0.00 0.00 31.44 26.77 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 -1.16 0.64 -4.62 1.62 5.68 -1.26 -4.96 116.55 112.50 3hei n ASP 36 Ca -0.20 -1.91 -0.51 0.00 -0.50 0.00 0.00 54.79 51.68 3hei n ASP 36 Cb 0.63 -0.16 -0.06 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 -0.31 2.04 -4.79 2.11 -0.00 -1.26 -4.89 117.16 110.07 3hei n TYR 37 Ca 0.03 0.19 -0.24 0.00 -0.00 0.00 0.00 57.90 57.87 3hei n TYR 37 Cb 0.58 -2.59 -0.15 0.00 -0.00 0.00 0.00 39.34 37.18 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 5.16 1.31 0.22 2.97 2.01 -1.26 -1.34 115.64 124.71 3hei s THR 38 Ca 0.99 -0.71 0.10 0.00 0.31 0.00 0.00 61.69 62.39 3hei s THR 38 Cb -0.80 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3hei s THR 38 CO 0.53 0.37 -0.15 0.27 -0.69 0.00 0.00 174.62 174.95 3hei s ILE 39 N -0.37 2.79 -0.14 1.82 -4.36 0.22 -4.97 121.20 116.19 3hei s ILE 39 Ca 0.06 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 3hei s ILE 39 Cb -0.07 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.26 3hei s ILE 39 CO -0.01 -0.21 -0.18 -2.28 0.24 0.00 0.00 174.94 172.51 3hei s HIS 40 N -1.94 2.39 0.23 1.37 5.65 -1.26 -1.36 115.29 120.36 3hei s HIS 40 Ca 0.25 -1.25 0.07 0.00 0.25 0.00 0.00 55.06 54.38 3hei s HIS 40 Cb -0.07 -1.68 -0.05 0.00 -1.18 0.00 0.00 32.58 29.60 3hei s HIS 40 CO 0.14 -0.62 -0.10 0.14 -0.65 0.00 0.00 174.74 173.65 3hei s VAL 41 N 1.07 1.57 0.26 0.89 -7.23 0.21 -4.98 120.40 112.19 3hei s VAL 41 Ca -0.03 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.01 3hei s VAL 41 Cb -0.14 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3hei s VAL 41 CO -0.05 -0.49 0.42 -1.10 -0.31 0.00 0.00 175.10 173.57 3hei s GLN 42 N -3.71 3.47 0.28 4.82 -0.21 -1.26 -0.71 119.66 122.35 3hei s GLN 42 Ca 0.25 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 3hei s GLN 42 Cb 0.02 -2.81 -0.13 0.00 1.00 0.00 0.00 33.01 31.09 3hei s GLN 42 CO 0.08 0.34 1.42 -0.11 -2.12 0.00 0.00 175.29 174.90 3hei n LEU 43 N -1.27 3.52 0.00 2.90 7.94 -1.26 -1.32 117.00 127.51 3hei n LEU 43 Ca -0.06 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 3hei n LEU 43 Cb 0.56 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.03 3hei n LEU 43 CO 0.47 -0.34 0.00 0.59 -1.11 0.00 0.00 177.39 177.00 3hei n ASN 44 N 1.77 0.00 -4.69 1.96 3.02 0.46 -5.02 115.26 112.76 3hei n ASN 44 Ca 0.09 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.35 3hei n ASN 44 Cb 0.34 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.67 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 -3.02 2.95 0.07 6.41 1.01 -0.43 -4.29 116.67 119.37 3hei s ASP 45 Ca 0.00 1.33 0.08 0.00 0.71 0.00 0.00 52.55 54.67 3hei s ASP 45 Cb 0.00 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3hei s ASP 45 CO 0.00 -2.94 -0.19 -0.31 0.21 0.00 0.00 175.17 171.94 3hei s TYR 46 N -2.94 2.52 -0.14 4.23 1.51 -0.57 -0.87 117.35 121.09 3hei s TYR 46 Ca 0.65 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.41 3hei s TYR 46 Cb -0.18 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 3hei s TYR 46 CO 0.57 0.28 -0.09 0.54 -1.11 0.00 0.00 175.55 175.75 3hei s VAL 47 N -0.98 3.41 -0.43 0.71 0.11 0.84 -0.47 120.40 123.59 3hei s VAL 47 Ca 0.15 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 3hei s VAL 47 Cb -0.10 -2.46 0.09 0.00 -1.53 0.00 0.00 36.38 32.37 3hei s VAL 47 CO 0.06 0.51 0.28 -1.81 -3.33 0.00 0.00 175.10 170.82 3hei s ASP 48 N 0.34 5.68 -0.36 3.54 1.01 0.12 -0.77 116.67 126.23 3hei s ASP 48 Ca -0.08 -1.56 -0.25 0.00 0.71 0.00 0.00 52.55 51.37 3hei s ASP 48 Cb -0.15 -2.00 0.01 0.00 1.01 0.00 0.00 42.92 41.79 3hei s ASP 48 CO 0.05 -0.57 0.88 -0.63 0.21 0.00 0.00 175.17 175.10 3hei s ILE 49 N 1.43 4.64 -0.25 0.77 1.01 0.19 -0.35 121.20 128.64 3hei s ILE 49 Ca 0.04 1.12 -0.12 0.00 0.00 0.00 0.00 60.65 61.68 3hei s ILE 49 Cb -0.24 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3hei s ILE 49 CO 0.02 -0.48 0.25 -0.63 0.00 0.00 0.00 174.94 174.10 3hei s ILE 50 N 3.33 5.28 0.51 2.92 -1.09 0.06 -0.91 121.20 131.30 3hei s ILE 50 Ca 0.36 0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 58.95 3hei s ILE 50 Cb -0.12 -3.58 -0.08 0.00 -1.58 0.00 0.00 42.46 37.09 3hei s ILE 50 CO 0.17 0.27 0.98 0.00 -1.23 0.00 0.00 174.94 175.14 3hei n PRO 52 N -1.51 1.26 -3.79 0.00 -0.02 -1.24 -4.64 135.00 125.06 3hei n PRO 52 Ca 0.07 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3hei n PRO 52 Cb 0.54 -1.88 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.19 -0.24 -0.07 6.00 2.46 -1.26 -4.49 115.29 116.50 3hei s HIS 53 Ca 0.61 0.59 0.01 0.00 0.47 0.00 0.00 55.06 56.73 3hei s HIS 53 Cb -0.64 0.08 0.02 0.00 -0.13 0.00 0.00 32.58 31.92 3hei s HIS 53 CO 0.59 -0.16 -0.08 0.71 -2.47 0.00 0.00 174.74 173.33 3hei s TYR 54 N -0.07 1.13 0.23 3.88 1.51 -0.24 -5.04 117.35 118.75 3hei s TYR 54 Ca -0.02 -0.42 -0.32 0.00 -1.01 0.00 0.00 57.07 55.31 3hei s TYR 54 Cb -0.02 -0.92 -0.13 0.00 -0.11 0.00 0.00 41.96 40.77 3hei s TYR 54 CO 0.01 -0.29 1.46 -1.91 -1.11 0.00 0.00 175.55 173.71 3hei n GLU 55 N 4.19 2.11 -0.29 -0.62 2.13 -1.26 -4.55 120.64 122.36 3hei n GLU 55 Ca -0.21 0.75 0.20 0.00 0.66 0.00 0.00 57.16 58.57 3hei n GLU 55 Cb 0.51 -2.45 0.38 0.00 0.27 0.00 0.00 31.44 30.15 3hei n GLU 55 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hei n ASP 56 N 2.44 0.09 -4.09 4.31 8.00 -1.26 -3.79 116.55 122.25 3hei n ASP 56 Ca 0.13 1.47 -0.28 0.00 0.71 0.00 0.00 54.79 56.82 3hei n ASP 56 Cb 0.31 -0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 40.62 3hei n ASP 56 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hei s HIS 57 N -5.59 1.89 0.00 1.24 3.76 -1.26 -4.94 115.29 110.39 3hei s HIS 57 Ca -0.10 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 3hei s HIS 57 Cb 0.28 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.64 3hei s HIS 57 CO 0.68 -0.35 0.00 -1.13 -0.85 0.00 0.00 174.74 173.09 3hei n SER 58 N 3.77 0.00 -4.07 1.40 3.41 -1.25 -5.13 113.62 111.75 3hei n SER 58 Ca -0.21 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.19 3hei n SER 58 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.00 0.93 0.66 -3.33 1.01 -1.26 -5.14 120.40 113.27 3hei s VAL 59 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3hei s VAL 59 Cb 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 3hei s VAL 59 CO 0.00 0.27 1.23 0.00 0.00 0.00 0.00 175.10 176.60 3hei s ALA 60 N -0.26 2.34 0.24 5.51 0.00 -1.26 -4.89 121.76 123.44 3hei s ALA 60 Ca 0.04 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 3hei s ALA 60 Cb -0.05 -3.49 0.43 0.00 0.00 0.00 0.00 23.12 20.02 3hei s ALA 60 CO -0.00 -1.55 1.64 -0.44 0.00 0.00 0.00 175.76 175.40 3hei h ASP 61 N 0.34 -0.32 0.28 0.00 3.32 -1.98 -1.70 116.42 116.37 3hei h ASP 61 Ca -0.49 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 3hei h ASP 61 Cb 1.31 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 41.19 3hei h ASP 61 CO 0.53 -0.17 -0.04 0.00 -1.72 0.00 0.00 179.24 177.83 3hei h ALA 62 N 1.69 1.20 -0.01 3.45 0.00 -2.03 -1.85 119.26 121.71 3hei h ALA 62 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hei h ALA 62 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hei h ALA 62 CO -0.65 0.06 -0.21 0.00 0.00 0.00 0.00 179.25 178.45 3hei n ALA 63 N -2.20 2.98 -2.55 0.00 0.00 -0.64 -4.91 120.51 113.18 3hei n ALA 63 Ca -0.02 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3hei n ALA 63 Cb 0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3hei n ALA 63 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hei s MET 64 N -2.30 4.45 0.18 0.00 1.00 -0.70 -4.98 119.30 116.96 3hei s MET 64 Ca 0.27 1.59 -0.30 0.00 0.00 0.00 0.00 55.69 57.25 3hei s MET 64 Cb 0.19 -3.45 -0.08 0.00 0.00 0.00 0.00 34.83 31.50 3hei s MET 64 CO 0.45 -0.24 1.12 -1.21 0.00 0.00 0.00 175.02 175.15 3hei s GLU 65 N 1.40 4.57 0.03 2.03 2.02 -1.26 -4.70 118.70 122.79 3hei s GLU 65 Ca 0.55 1.76 0.01 0.00 0.02 0.00 0.00 54.97 57.31 3hei s GLU 65 Cb -0.24 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3hei s GLU 65 CO 0.26 0.04 -0.06 -0.65 0.02 0.00 0.00 175.26 174.87 3hei s GLN 66 N -0.38 0.43 0.03 1.61 -0.21 -1.26 -4.63 119.66 115.25 3hei s GLN 66 Ca 0.50 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.31 3hei s GLN 66 Cb -0.30 -0.20 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 3hei s GLN 66 CO 0.36 0.03 -0.07 0.71 -2.12 0.00 0.00 175.29 174.20 3hei s TYR 67 N -1.12 0.59 -0.14 0.91 2.02 -0.91 -0.57 117.35 118.12 3hei s TYR 67 Ca -0.09 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 3hei s TYR 67 Cb -0.08 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 3hei s TYR 67 CO -0.00 -0.07 0.48 0.42 -1.57 0.00 0.00 175.55 174.80 3hei s ILE 68 N -1.10 5.18 -0.07 2.71 1.01 0.73 0.69 121.20 130.35 3hei s ILE 68 Ca -0.08 0.92 -0.08 0.00 0.00 0.00 0.00 60.65 61.42 3hei s ILE 68 Cb -0.08 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3hei s ILE 68 CO 0.00 0.29 0.22 -0.76 0.00 0.00 0.00 174.94 174.69 3hei s LEU 69 N 0.89 4.40 0.00 2.97 1.43 0.24 -1.35 118.68 127.26 3hei s LEU 69 Ca 0.25 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 3hei s LEU 69 Cb -0.15 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 3hei s LEU 69 CO 0.10 0.35 -0.14 -0.31 0.23 0.00 0.00 176.35 176.58 3hei s TYR 70 N -1.11 1.24 -0.27 0.29 1.51 0.55 0.62 117.35 120.18 3hei s TYR 70 Ca 0.20 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 55.92 3hei s TYR 70 Cb -0.13 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 3hei s TYR 70 CO 0.09 -0.00 0.07 -1.17 -1.11 0.00 0.00 175.55 173.43 3hei s LEU 71 N -0.55 3.63 0.20 -1.29 2.96 -0.69 -1.52 118.68 121.42 3hei s LEU 71 Ca 0.04 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3hei s LEU 71 Cb -0.06 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3hei s LEU 71 CO -0.00 -0.12 0.05 0.68 -1.32 0.00 0.00 176.35 175.64 3hei s VAL 72 N 1.55 0.50 0.81 1.68 -7.23 -0.59 -4.79 120.40 112.34 3hei s VAL 72 Ca 0.05 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 3hei s VAL 72 Cb -0.16 -2.31 0.09 0.00 0.56 0.00 0.00 36.38 34.56 3hei s VAL 72 CO 0.03 -0.28 1.17 -1.61 -0.31 0.00 0.00 175.10 174.09 3hei s GLU 73 N -3.99 1.83 0.17 4.82 0.41 -1.26 -3.86 118.70 116.81 3hei s GLU 73 Ca 0.30 -0.04 -0.15 0.00 -0.41 0.00 0.00 54.97 54.67 3hei s GLU 73 Cb 0.07 -1.98 0.11 0.00 -1.78 0.00 0.00 34.13 30.54 3hei s GLU 73 CO 0.07 -1.64 1.75 1.25 -0.49 0.00 0.00 175.26 176.20 3hei h HIS 74 N -1.05 0.24 -0.81 1.61 -0.00 -1.96 -1.97 115.15 111.20 3hei h HIS 74 Ca -0.45 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.08 3hei h HIS 74 Cb 1.31 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 28.59 3hei h HIS 74 CO 0.12 0.08 0.40 0.93 -0.00 0.00 0.00 177.93 179.46 3hei h GLU 75 N 0.29 0.56 -0.59 5.26 3.07 -1.99 0.18 114.58 121.36 3hei h GLU 75 Ca 0.19 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 3hei h GLU 75 Cb 0.19 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3hei h GLU 75 CO -0.21 0.37 0.00 0.93 -1.40 0.00 0.00 179.01 178.71 3hei h GLU 76 N 0.58 1.03 -0.20 2.33 3.07 -1.67 -1.81 114.58 117.91 3hei h GLU 76 Ca 0.44 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3hei h GLU 76 Cb 0.62 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3hei h GLU 76 CO -0.36 1.00 0.10 -0.92 -1.40 0.00 0.00 179.01 177.43 3hei h TYR 77 N 0.94 0.28 -0.91 4.33 3.20 -0.48 0.40 116.97 124.74 3hei h TYR 77 Ca 0.17 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3hei h TYR 77 Cb 0.54 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3hei h TYR 77 CO 0.04 0.28 0.59 1.96 -1.64 0.00 0.00 178.16 179.39 3hei h GLN 78 N 0.20 1.20 0.00 1.82 1.08 -0.52 -1.44 115.11 117.46 3hei h GLN 78 Ca 0.07 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hei h GLN 78 Cb 0.10 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 3hei h GLN 78 CO -0.01 0.80 0.00 1.28 -0.95 0.00 0.00 178.83 179.95 3hei n LEU 79 N -4.44 0.28 -3.88 1.46 4.77 -0.69 -4.94 117.00 109.55 3hei n LEU 79 Ca 0.10 0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 56.35 3hei n LEU 79 Cb 0.02 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 3hei n LEU 79 CO 0.37 -0.14 -0.04 0.00 -1.33 0.00 0.00 177.39 176.25 3hei s GLN 81 N -6.42 0.27 0.53 0.00 2.00 -0.65 -5.00 119.66 110.40 3hei s GLN 81 Ca 0.31 0.67 -0.19 0.00 -2.00 0.00 0.00 55.36 54.15 3hei s GLN 81 Cb -0.16 -0.05 -0.06 0.00 0.80 0.00 0.00 33.01 33.54 3hei s GLN 81 CO 0.85 -0.18 1.08 -1.25 -0.50 0.00 0.00 175.29 175.29 3hei s PRO 82 N 1.51 3.50 0.09 1.67 0.04 -1.26 -4.55 135.00 136.00 3hei s PRO 82 Ca -0.08 1.43 0.15 0.00 0.04 0.00 0.00 61.00 62.54 3hei s PRO 82 Cb -0.10 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 3hei s PRO 82 CO -0.10 -0.69 0.95 0.37 0.04 0.00 0.00 177.00 177.57 3hei h GLN 83 N 1.17 0.00 -2.47 4.56 4.15 -1.99 -3.49 115.11 117.05 3hei h GLN 83 Ca -0.49 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.05 3hei h GLN 83 Cb 1.24 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.82 3hei h GLN 83 CO 0.58 0.44 0.43 -1.54 -1.93 0.00 0.00 178.83 176.80 3hei s SER 84 N -6.05 -0.30 0.63 -0.69 1.04 -1.26 -5.00 113.70 102.07 3hei s SER 84 Ca -0.02 -0.24 0.38 0.00 0.48 0.00 0.00 55.95 56.56 3hei s SER 84 Cb 0.08 0.49 2.15 0.00 0.10 0.00 0.00 66.02 68.85 3hei s SER 84 CO 0.80 -0.86 2.31 0.50 0.98 0.00 0.00 173.24 176.98 3hei h LYS 85 N 2.00 0.00 0.00 4.02 3.64 -2.01 -0.70 116.57 123.52 3hei h LYS 85 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3hei h LYS 85 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3hei h LYS 85 CO 0.29 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 177.03 3hei h ASP 86 N 0.00 0.00 -0.01 4.20 3.45 -2.01 -1.75 116.42 120.31 3hei h ASP 86 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hei h ASP 86 Cb 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3hei h ASP 86 CO 0.00 0.00 -0.02 0.00 -1.57 0.00 0.00 179.24 177.65 3hei n GLN 87 N -2.88 1.76 -1.68 3.56 6.02 -0.27 -4.90 117.38 118.98 3hei n GLN 87 Ca -0.02 -1.14 -0.45 0.00 -0.01 0.00 0.00 57.00 55.38 3hei n GLN 87 Cb 0.09 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 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 0.37 0.06 -0.10 5.09 0.31 -0.66 -1.70 118.33 121.71 3hei n VAL 88 Ca 0.18 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.36 3hei n VAL 88 Cb 0.41 -1.69 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 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 3.86 0.53 -3.59 5.55 3.00 0.20 -4.83 116.66 121.38 3hei n ARG 89 Ca 0.17 0.11 -0.07 0.00 -0.00 0.00 0.00 57.85 58.06 3hei n ARG 89 Cb 0.31 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 31.36 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 -2.38 -0.28 -0.08 -0.14 -0.11 -1.15 -5.02 118.94 109.78 3hei s TRP 90 Ca -0.25 0.07 0.04 0.00 1.22 0.00 0.00 56.10 57.19 3hei s TRP 90 Cb 0.07 0.58 -0.01 0.00 -1.50 0.00 0.00 33.47 32.60 3hei s TRP 90 CO 0.45 -0.66 -0.22 -0.65 -4.62 0.00 0.00 176.95 171.25 3hei s GLN 91 N -3.21 2.87 -1.19 5.86 -0.21 -1.26 -0.59 119.66 121.93 3hei s GLN 91 Ca 0.07 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.45 3hei s GLN 91 Cb -0.01 -2.30 0.14 0.00 1.00 0.00 0.00 33.01 31.84 3hei s GLN 91 CO -0.05 0.29 1.47 0.00 -2.12 0.00 0.00 175.29 174.88 3hei n ASN 93 N 6.51 2.46 -3.12 0.00 6.94 -1.26 -2.15 115.26 124.64 3hei n ASN 93 Ca 0.38 -3.19 -0.24 0.00 -0.02 0.00 0.00 54.58 51.51 3hei n ASN 93 Cb 0.44 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 3hei n ASN 93 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hei n ARG 94 N -1.29 2.23 0.27 -3.83 1.74 -1.26 -4.93 116.66 109.59 3hei n ARG 94 Ca 0.17 -4.25 0.14 0.00 -0.77 0.00 0.00 57.85 53.15 3hei n ARG 94 Cb 0.68 -1.99 0.76 0.00 -1.02 0.00 0.00 32.46 30.90 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 3.29 0.00 -0.45 5.56 0.13 -1.85 -2.81 132.00 135.87 3hei h PRO 95 Ca 0.13 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.93 3hei h PRO 95 Cb 0.70 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.57 3hei h PRO 95 CO 0.70 0.10 -0.66 -1.13 -0.23 0.00 0.00 178.00 176.77 3hei n SER 96 N -3.49 3.66 -4.65 1.44 3.41 -1.26 -1.08 113.62 111.65 3hei n SER 96 Ca -0.01 -3.81 -0.45 0.00 -0.26 0.00 0.00 58.87 54.33 3hei n SER 96 Cb 0.24 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.88 0.70 -0.24 7.33 0.00 -1.06 -4.85 120.51 121.51 3hei n ALA 97 Ca 0.34 0.42 0.01 0.00 0.00 0.00 0.00 53.44 54.21 3hei n ALA 97 Cb 0.86 -2.21 0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 3.79 0.59 0.00 0.00 1.57 -1.97 -3.09 116.57 117.47 3hei h LYS 98 Ca -0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hei h LYS 98 Cb 1.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3hei h LYS 98 CO 0.73 0.39 0.00 -2.39 -0.57 0.00 0.00 179.45 177.61 3hei n HIS 99 N -4.86 0.77 0.00 -1.35 1.44 -1.26 -5.00 115.22 104.96 3hei n HIS 99 Ca 0.10 0.30 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 3hei n HIS 99 Cb 0.25 -0.99 0.00 0.00 0.12 0.00 0.00 29.99 29.37 3hei n HIS 99 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hei n GLY 100 N -0.01 0.71 3.78 -1.39 0.00 -1.17 -5.08 105.19 102.03 3hei n GLY 100 Ca 0.02 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.86 4.13 0.48 1.61 0.02 -1.26 -4.44 135.00 134.67 3hei s PRO 101 Ca 0.00 2.52 -0.24 0.00 0.02 0.00 0.00 61.00 63.30 3hei s PRO 101 Cb 0.00 -2.97 -0.07 0.00 0.02 0.00 0.00 34.50 31.48 3hei s PRO 101 CO 0.00 -0.49 1.30 -2.00 -0.33 0.00 0.00 177.00 175.48 3hei s GLU 102 N -2.07 3.58 -0.04 5.54 2.56 -1.26 -4.87 118.70 122.15 3hei s GLU 102 Ca 0.52 2.12 -0.01 0.00 0.00 0.00 0.00 54.97 57.60 3hei s GLU 102 Cb -0.45 -2.48 0.03 0.00 2.00 0.00 0.00 34.13 33.23 3hei s GLU 102 CO 0.62 -0.80 0.07 0.21 -0.56 0.00 0.00 175.26 174.80 3hei s LYS 103 N -2.62 0.01 -0.33 4.30 2.20 -1.26 -0.76 119.74 121.27 3hei s LYS 103 Ca 0.64 0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 56.39 3hei s LYS 103 Cb -0.37 -0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 35.73 3hei s LYS 103 CO 0.46 -0.16 0.19 -1.17 -0.36 0.00 0.00 175.35 174.31 3hei s LEU 104 N 1.08 4.34 -0.51 5.43 2.96 -0.09 -4.97 118.68 126.92 3hei s LEU 104 Ca -0.09 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 3hei s LEU 104 Cb -0.12 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.62 3hei s LEU 104 CO -0.04 -0.24 0.46 -0.44 -1.32 0.00 0.00 176.35 174.77 3hei s SER 105 N 1.64 6.17 -0.12 3.68 0.01 -1.26 -0.63 113.70 123.19 3hei s SER 105 Ca 0.05 -1.54 -0.14 0.00 1.31 0.00 0.00 55.95 55.63 3hei s SER 105 Cb -0.17 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 3hei s SER 105 CO 0.08 -0.77 0.32 -0.70 0.41 0.00 0.00 173.24 172.59 3hei s GLU 106 N 1.67 4.12 -0.23 12.44 2.56 0.05 -4.92 118.70 134.38 3hei s GLU 106 Ca 0.04 0.18 -0.09 0.00 0.00 0.00 0.00 54.97 55.10 3hei s GLU 106 Cb -0.27 -3.36 -0.04 0.00 2.00 0.00 0.00 34.13 32.46 3hei s GLU 106 CO 0.05 0.38 0.11 0.21 -0.56 0.00 0.00 175.26 175.45 3hei s LYS 107 N 0.02 3.90 -1.42 4.30 2.20 -1.26 -0.11 119.74 127.36 3hei s LYS 107 Ca 0.19 -0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 3hei s LYS 107 Cb -0.14 -3.41 0.07 0.00 -1.51 0.00 0.00 37.83 32.84 3hei s LYS 107 CO 0.07 -0.00 2.20 1.19 -0.36 0.00 0.00 175.35 178.44 3hei n PHE 108 N 4.43 3.21 -3.73 4.03 3.01 -0.05 -4.93 117.46 123.43 3hei n PHE 108 Ca -0.16 -2.93 -0.30 0.00 1.01 0.00 0.00 57.45 55.08 3hei n PHE 108 Cb 0.52 -2.34 -0.04 0.00 -0.01 0.00 0.00 39.48 37.61 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 2.08 3.55 0.05 -1.08 -2.07 -1.26 -0.40 119.66 120.53 3hei s GLN 109 Ca 0.47 -0.24 -0.19 0.00 -1.82 0.00 0.00 55.36 53.58 3hei s GLN 109 Cb 0.13 -2.88 -0.13 0.00 -1.09 0.00 0.00 33.01 29.04 3hei s GLN 109 CO -0.06 0.47 1.35 -0.09 -1.32 0.00 0.00 175.29 175.64 3hei h ARG 110 N 2.59 0.43 -6.47 9.60 9.65 -1.92 -0.92 114.38 127.33 3hei h ARG 110 Ca -0.46 -0.24 -0.62 0.00 -1.10 0.00 0.00 59.98 57.56 3hei h ARG 110 Cb 1.17 0.01 -0.19 0.00 -1.39 0.00 0.00 29.97 29.57 3hei h ARG 110 CO 0.72 0.81 -0.82 -0.06 2.80 0.00 0.00 179.97 183.41 3hei s PHE 111 N -4.27 2.16 0.01 2.20 0.08 -1.26 -3.86 117.98 113.04 3hei s PHE 111 Ca -0.14 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.54 3hei s PHE 111 Cb 0.06 -1.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.40 3hei s PHE 111 CO 0.77 0.42 -0.06 -0.08 -0.10 0.00 0.00 175.22 176.17 3hei s THR 112 N -1.61 0.46 -2.05 0.64 -1.32 -1.26 -5.00 115.64 105.50 3hei s THR 112 Ca 0.17 -0.56 0.20 0.00 -1.21 0.00 0.00 61.69 60.29 3hei s THR 112 Cb -0.08 -0.45 0.54 0.00 -1.51 0.00 0.00 72.50 71.00 3hei s THR 112 CO 0.08 -0.08 1.72 -0.81 -2.21 0.00 0.00 174.62 173.32 3hei n PRO 113 N 2.37 1.12 -3.97 7.08 -0.04 -1.26 -4.80 135.00 135.50 3hei n PRO 113 Ca -0.17 -0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 62.81 3hei n PRO 113 Cb 0.57 -1.32 -0.16 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.97 2.30 -0.37 0.54 5.36 -1.26 -5.05 117.98 117.53 3hei s PHE 114 Ca 0.30 -1.53 -0.24 0.00 -0.96 0.00 0.00 56.93 54.50 3hei s PHE 114 Cb 0.14 -1.58 0.01 0.00 -0.34 0.00 0.00 43.02 41.25 3hei s PHE 114 CO 0.23 -0.73 0.85 0.95 -1.46 0.00 0.00 175.22 175.06 3hei s THR 115 N 1.43 4.67 0.00 0.12 -4.23 -1.26 -1.07 115.64 115.30 3hei s THR 115 Ca -0.01 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 3hei s THR 115 Cb -0.16 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.41 3hei s THR 115 CO -0.08 -0.48 0.00 0.18 -0.54 0.00 0.00 174.62 173.70 3hei n LEU 116 N 6.58 0.00 -4.99 4.79 4.77 -1.26 -5.13 117.00 121.75 3hei n LEU 116 Ca 0.05 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 3hei n LEU 116 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3hei n LEU 116 CO 0.56 0.00 0.37 -0.83 -1.33 0.00 0.00 177.39 176.16 3hei s GLY 117 N -0.61 1.82 -0.04 -0.72 0.00 -0.23 -5.11 107.32 102.42 3hei s GLY 117 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.15 3hei s GLY 117 CO 0.00 -1.24 -0.09 1.25 0.00 0.00 0.00 173.10 173.02 3hei s LYS 118 N -4.77 2.60 -0.04 2.90 2.47 -1.26 -4.97 119.74 116.66 3hei s LYS 118 Ca 0.60 -0.65 -0.01 0.00 -1.56 0.00 0.00 55.97 54.35 3hei s LYS 118 Cb -0.08 -2.49 -0.04 0.00 -1.46 0.00 0.00 37.83 33.76 3hei s LYS 118 CO 0.39 0.63 0.02 -1.21 0.16 0.00 0.00 175.35 175.34 3hei s GLU 119 N -0.99 2.94 0.06 4.03 2.02 -1.26 -4.76 118.70 120.74 3hei s GLU 119 Ca 0.14 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.71 3hei s GLU 119 Cb -0.11 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 3hei s GLU 119 CO 0.03 0.67 -0.19 -0.06 0.02 0.00 0.00 175.26 175.73 3hei s PHE 120 N -1.01 1.63 0.07 1.61 0.40 -0.35 -5.01 117.98 115.32 3hei s PHE 120 Ca 0.17 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.19 3hei s PHE 120 Cb -0.12 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 3hei s PHE 120 CO 0.07 0.11 -0.21 0.15 0.70 0.00 0.00 175.22 176.05 3hei s LYS 121 N -1.44 1.23 0.23 0.44 1.02 -1.26 -3.61 119.74 116.34 3hei s LYS 121 Ca 0.05 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 3hei s LYS 121 Cb -0.09 -1.42 -0.10 0.00 -0.52 0.00 0.00 37.83 35.70 3hei s LYS 121 CO 0.02 0.34 1.46 -1.21 -0.92 0.00 0.00 175.35 175.05 3hei s GLU 122 N -1.57 4.26 0.00 1.68 2.02 -1.26 -2.84 118.70 120.99 3hei s GLU 122 Ca 0.07 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.35 3hei s GLU 122 Cb -0.09 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.01 3hei s GLU 122 CO 0.03 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3hei n GLY 123 N 2.54 0.76 3.45 -1.39 0.00 0.12 -4.72 105.19 105.95 3hei n GLY 123 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.03 2.31 0.16 1.61 3.76 -1.13 -4.94 115.29 115.03 3hei s HIS 124 Ca 0.00 -0.34 0.09 0.00 -0.15 0.00 0.00 55.06 54.66 3hei s HIS 124 Cb 0.00 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 3hei s HIS 124 CO 0.00 0.59 -0.15 -1.12 -0.85 0.00 0.00 174.74 173.21 3hei s SER 125 N -3.02 3.96 0.06 1.40 0.01 -1.26 -0.69 113.70 114.16 3hei s SER 125 Ca 0.25 -0.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 3hei s SER 125 Cb -0.07 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 3hei s SER 125 CO 0.12 0.13 0.01 -0.31 0.41 0.00 0.00 173.24 173.60 3hei s TYR 126 N -1.54 0.45 -0.02 2.43 2.02 0.11 -4.98 117.35 115.82 3hei s TYR 126 Ca 0.22 -0.97 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 3hei s TYR 126 Cb -0.09 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 3hei s TYR 126 CO 0.12 -0.40 -0.02 0.71 -1.57 0.00 0.00 175.55 174.40 3hei s TYR 127 N -3.83 0.33 0.09 2.71 1.51 -1.25 -0.16 117.35 116.75 3hei s TYR 127 Ca 0.06 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 3hei s TYR 127 Cb 0.07 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 3hei s TYR 127 CO -0.10 -0.08 -0.11 0.71 -1.11 0.00 0.00 175.55 174.86 3hei s TYR 128 N 0.52 2.72 0.15 2.71 2.02 0.49 -1.54 117.35 124.41 3hei s TYR 128 Ca -0.05 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3hei s TYR 128 Cb -0.08 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3hei s TYR 128 CO -0.01 0.40 0.04 0.96 -1.57 0.00 0.00 175.55 175.37 3hei s ILE 129 N -1.15 0.32 0.14 2.71 -4.36 -0.57 -0.70 121.20 117.58 3hei s ILE 129 Ca 0.20 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.71 3hei s ILE 129 Cb -0.11 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 3hei s ILE 129 CO 0.12 -0.47 -0.13 -0.94 0.24 0.00 0.00 174.94 173.76 3hei s SER 130 N -3.09 1.98 -0.00 4.36 1.04 -0.90 -0.33 113.70 116.75 3hei s SER 130 Ca 0.24 -0.90 0.08 0.00 0.48 0.00 0.00 55.95 55.85 3hei s SER 130 Cb 0.07 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3hei s SER 130 CO 0.02 -0.21 -0.24 -0.54 0.98 0.00 0.00 173.24 173.26 3hei s LYS 131 N -3.11 1.87 0.43 4.02 -0.14 -0.46 -4.63 119.74 117.73 3hei s LYS 131 Ca 0.13 -0.90 -0.21 0.00 -1.36 0.00 0.00 55.97 53.62 3hei s LYS 131 Cb -0.02 -1.86 -0.10 0.00 -1.68 0.00 0.00 37.83 34.16 3hei s LYS 131 CO 0.03 0.50 0.98 -1.25 -0.76 0.00 0.00 175.35 174.85 3hei s PRO 132 N -0.72 4.14 -0.19 -1.68 0.04 -1.26 -0.19 135.00 135.14 3hei s PRO 132 Ca 0.09 1.22 0.14 0.00 0.04 0.00 0.00 61.00 62.50 3hei s PRO 132 Cb -0.09 -2.23 -0.21 0.00 0.04 0.00 0.00 34.50 32.01 3hei s PRO 132 CO -0.00 -0.11 0.03 -0.89 0.04 0.00 0.00 177.00 176.06 3hei n ILE 133 N -0.60 1.26 0.82 0.56 5.41 0.27 -4.01 119.36 123.06 3hei n ILE 133 Ca 0.07 -0.73 0.07 0.00 1.00 0.00 0.00 62.75 63.16 3hei n ILE 133 Cb 0.53 -0.63 0.40 0.00 -0.71 0.00 0.00 39.64 39.23 3hei n ILE 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hei n HIS 134 N -2.74 0.00 -0.98 1.39 1.44 -1.23 -4.87 115.22 108.23 3hei n HIS 134 Ca -0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.40 3hei n HIS 134 Cb 1.07 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 31.10 3hei n HIS 134 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3hei n GLN 135 N -1.08 -1.01 -1.42 -1.40 6.02 -1.26 -4.87 117.38 112.37 3hei n GLN 135 Ca 0.09 0.25 -0.39 0.00 -0.01 0.00 0.00 57.00 56.94 3hei n GLN 135 Cb 0.07 -4.06 -0.02 0.00 1.02 0.00 0.00 30.24 27.25 3hei n GLN 135 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hei n HIS 136 N -2.42 2.74 -0.48 1.08 8.25 -1.26 -4.78 115.22 118.35 3hei n HIS 136 Ca 0.00 -2.72 -0.03 0.00 -0.26 0.00 0.00 57.72 54.70 3hei n HIS 136 Cb 0.25 -2.32 -0.05 0.00 1.12 0.00 0.00 29.99 29.00 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 5.34 0.97 -3.99 -0.41 2.13 -1.26 -4.67 120.64 118.75 3hei n GLU 137 Ca 0.58 -0.28 -0.32 0.00 0.66 0.00 0.00 57.16 57.80 3hei n GLU 137 Cb 0.32 -1.44 -0.06 0.00 0.27 0.00 0.00 31.44 30.54 3hei n GLU 137 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3hei s ASP 138 N 2.13 5.99 0.00 4.31 -1.08 -1.26 -4.98 116.67 121.78 3hei s ASP 138 Ca 0.19 0.19 0.00 0.00 -0.52 0.00 0.00 52.55 52.41 3hei s ASP 138 Cb 0.09 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.78 3hei s ASP 138 CO 0.00 0.22 0.00 0.54 0.52 0.00 0.00 175.17 176.45 3hei n ARG 139 N 0.72 0.00 -2.99 4.34 1.74 -1.26 -4.92 116.66 114.28 3hei n ARG 139 Ca -0.09 0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 3hei n ARG 139 Cb 0.52 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 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 1.86 3.91 0.09 0.00 1.43 -1.26 -4.84 118.68 119.88 3hei s LEU 141 Ca 0.35 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 3hei s LEU 141 Cb -0.16 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3hei s LEU 141 CO 0.13 0.04 0.25 0.00 0.23 0.00 0.00 176.35 177.00 3hei s ARG 142 N 1.22 0.90 0.01 1.70 1.70 -1.26 -2.13 118.95 121.08 3hei s ARG 142 Ca 0.06 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 3hei s ARG 142 Cb -0.14 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3hei s ARG 142 CO 0.05 -0.30 -0.01 -1.17 -1.08 0.00 0.00 175.30 172.79 3hei s LEU 143 N -2.77 2.06 -0.10 -1.89 2.96 0.12 -4.59 118.68 114.48 3hei s LEU 143 Ca 0.03 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3hei s LEU 143 Cb 0.04 0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.70 3hei s LEU 143 CO -0.11 -0.07 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.06 3hei s LYS 144 N -0.38 3.05 -0.16 1.98 2.20 -0.45 -0.38 119.74 125.60 3hei s LYS 144 Ca -0.04 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3hei s LYS 144 Cb -0.03 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 3hei s LYS 144 CO -0.00 0.56 -0.19 0.08 -0.36 0.00 0.00 175.35 175.44 3hei s VAL 145 N -0.52 1.91 -0.20 4.02 1.01 0.78 -0.61 120.40 126.79 3hei s VAL 145 Ca 0.08 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3hei s VAL 145 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3hei s VAL 145 CO 0.02 0.52 0.09 -0.89 0.00 0.00 0.00 175.10 174.83 3hei s THR 146 N 1.20 4.94 -0.22 3.92 2.01 -0.47 0.04 115.64 127.06 3hei s THR 146 Ca 0.01 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 3hei s THR 146 Cb -0.14 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3hei s THR 146 CO -0.09 0.44 0.34 -0.69 -0.69 0.00 0.00 174.62 173.93 3hei s VAL 147 N 0.51 5.23 0.72 3.82 1.01 0.14 -0.62 120.40 131.21 3hei s VAL 147 Ca 0.05 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 3hei s VAL 147 Cb -0.12 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3hei s VAL 147 CO 0.00 0.26 1.07 -1.59 0.00 0.00 0.00 175.10 174.85 3hei s LYS 148 N 1.35 2.69 0.00 2.72 0.00 0.11 0.14 119.74 126.75 3hei s LYS 148 Ca 0.16 1.08 0.28 0.00 0.00 0.00 0.00 55.97 57.48 3hei s LYS 148 Cb -0.15 -1.95 1.01 0.00 0.00 0.00 0.00 37.83 36.74 3hei s LYS 148 CO 0.07 -1.30 1.72 -0.89 0.00 0.00 0.00 175.35 174.96