#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y13 n SER 12 N 0.00 1.24 -4.74 1.20 3.41 -1.26 -4.96 113.62 108.51 1y13 n SER 12 Ca 0.00 -0.32 -0.37 0.00 -0.26 0.00 0.00 58.87 57.92 1y13 n SER 12 Cb 0.00 1.42 0.05 0.00 -0.26 0.00 0.00 64.21 65.42 1y13 n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y13 s SER 13 N -3.20 4.99 0.04 4.04 1.04 -1.26 -4.57 113.70 114.77 1y13 s SER 13 Ca -0.01 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.05 1y13 s SER 13 Cb 0.10 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1y13 s SER 13 CO 0.61 -1.75 -0.04 0.00 0.98 0.00 0.00 173.24 173.04 1y13 s ALA 14 N -1.40 0.38 0.10 5.32 0.00 -0.57 -4.99 121.76 120.62 1y13 s ALA 14 Ca 0.77 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.99 1y13 s ALA 14 Cb -0.37 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1y13 s ALA 14 CO 0.41 -0.18 -0.20 -1.21 0.00 0.00 0.00 175.76 174.59 1y13 s GLU 15 N -2.21 1.77 0.05 0.00 2.02 -1.26 -1.02 118.70 118.04 1y13 s GLU 15 Ca -0.07 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 53.82 1y13 s GLU 15 Cb -0.05 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1y13 s GLU 15 CO -0.03 0.49 -0.21 0.14 0.02 0.00 0.00 175.26 175.67 1y13 s VAL 16 N -1.09 1.66 0.02 2.63 -7.23 -0.78 -5.00 120.40 110.61 1y13 s VAL 16 Ca 0.17 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1y13 s VAL 16 Cb -0.10 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1y13 s VAL 16 CO 0.08 0.19 -0.01 -0.94 -0.31 0.00 0.00 175.10 174.11 1y13 s SER 17 N -1.22 0.23 0.00 4.85 1.04 -1.26 -1.31 113.70 116.03 1y13 s SER 17 Ca 0.07 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1y13 s SER 17 Cb -0.09 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1y13 s SER 17 CO 0.02 -0.33 -0.16 0.68 0.98 0.00 0.00 173.24 174.43 1y13 s VAL 18 N -1.61 1.28 -0.14 5.02 -7.23 -0.43 -5.01 120.40 112.29 1y13 s VAL 18 Ca -0.14 -0.78 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 1y13 s VAL 18 Cb -0.09 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.81 1y13 s VAL 18 CO -0.01 0.30 0.39 -1.83 -0.31 0.00 0.00 175.10 173.64 1y13 s GLU 19 N -0.56 0.48 -0.17 4.82 -1.05 -1.26 -1.99 118.70 118.97 1y13 s GLU 19 Ca 0.06 0.50 -0.28 0.00 -0.15 0.00 0.00 54.97 55.09 1y13 s GLU 19 Cb -0.07 0.23 0.09 0.00 -0.44 0.00 0.00 34.13 33.95 1y13 s GLU 19 CO -0.00 -0.07 0.82 0.45 0.95 0.00 0.00 175.26 177.41 1y13 s SER 20 N 0.10 -0.58 0.61 0.83 0.15 -1.26 -4.98 113.70 108.55 1y13 s SER 20 Ca -0.01 0.86 0.27 0.00 0.70 0.00 0.00 55.95 57.76 1y13 s SER 20 Cb -0.03 0.78 1.13 0.00 -1.71 0.00 0.00 66.02 66.19 1y13 s SER 20 CO 0.01 -0.39 1.54 -0.65 1.20 0.00 0.00 173.24 174.95 1y13 h PRO 21 N 3.60 0.00 0.00 5.44 0.11 -2.01 0.12 132.00 139.26 1y13 h PRO 21 Ca -0.26 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 1y13 h PRO 21 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1y13 h PRO 21 CO 0.24 0.00 -0.39 1.03 -0.21 0.00 0.00 178.00 178.67 1y13 h SER 22 N 0.00 0.00 0.00 -2.05 0.87 -1.97 -3.35 113.55 107.05 1y13 h SER 22 Ca 0.35 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 60.22 1y13 h SER 22 Cb 2.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.10 1y13 h SER 22 CO -0.00 0.39 3.36 0.49 -0.53 0.00 0.00 176.83 180.54 1y13 n PHE 23 N -3.22 3.10 -4.20 2.24 3.72 0.03 -4.89 117.46 114.24 1y13 n PHE 23 Ca 0.02 -2.99 -0.17 0.00 -0.05 0.00 0.00 57.45 54.27 1y13 n PHE 23 Cb 0.67 -2.51 -0.11 0.00 -0.94 0.00 0.00 39.48 36.59 1y13 n PHE 23 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1y13 s SER 24 N 2.89 1.75 -0.04 4.37 0.01 -1.26 -0.66 113.70 120.76 1y13 s SER 24 Ca 0.55 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1y13 s SER 24 Cb 0.15 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1y13 s SER 24 CO -0.08 -0.16 -0.05 0.72 0.41 0.00 0.00 173.24 174.09 1y13 s PHE 25 N -1.98 0.77 -0.42 2.43 -0.71 -0.38 -4.65 117.98 113.05 1y13 s PHE 25 Ca 0.05 -0.22 -0.13 0.00 -1.04 0.00 0.00 56.93 55.59 1y13 s PHE 25 Cb -0.06 -0.67 0.05 0.00 -1.21 0.00 0.00 43.02 41.13 1y13 s PHE 25 CO 0.02 -0.19 0.29 -0.80 -1.34 0.00 0.00 175.22 173.21 1y13 s ASN 26 N 0.86 5.93 0.11 1.98 0.01 -1.26 -0.75 114.94 121.83 1y13 s ASN 26 Ca -0.12 -1.16 0.05 0.00 -0.71 0.00 0.00 52.86 50.93 1y13 s ASN 26 Cb -0.14 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1y13 s ASN 26 CO 0.01 -0.50 -0.13 0.00 -1.51 0.00 0.00 177.10 174.96 1y13 s ALA 28 N -2.14 3.72 0.09 0.00 0.00 -0.38 -1.29 121.76 121.76 1y13 s ALA 28 Ca 0.07 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 1y13 s ALA 28 Cb -0.05 -2.16 0.09 0.00 0.00 0.00 0.00 23.12 21.00 1y13 s ALA 28 CO 0.02 0.34 1.09 -3.38 0.00 0.00 0.00 175.76 173.84 1y13 s HIS 29 N -1.97 -0.08 -0.07 0.00 -3.43 -0.44 -1.01 115.29 108.29 1y13 s HIS 29 Ca 0.41 -0.15 -0.10 0.00 -0.80 0.00 0.00 55.06 54.42 1y13 s HIS 29 Cb -0.11 0.61 0.02 0.00 -1.43 0.00 0.00 32.58 31.67 1y13 s HIS 29 CO 0.29 -0.62 0.26 -0.59 -2.00 0.00 0.00 174.74 172.09 1y13 s PHE 30 N -2.88 -0.22 0.14 0.38 -0.12 -1.26 -2.11 117.98 111.90 1y13 s PHE 30 Ca 0.14 0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 57.23 1y13 s PHE 30 Cb 0.01 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.41 1y13 s PHE 30 CO 0.00 -0.22 0.93 0.42 -0.05 0.00 0.00 175.22 176.30 1y13 s ILE 31 N -0.41 4.42 -0.04 -4.49 1.01 -1.26 -4.68 121.20 115.75 1y13 s ILE 31 Ca -0.05 2.03 -0.02 0.00 0.00 0.00 0.00 60.65 62.61 1y13 s ILE 31 Cb -0.03 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.17 1y13 s ILE 31 CO 0.01 0.37 0.08 0.00 0.00 0.00 0.00 174.94 175.41 1y13 s ALA 32 N -0.31 0.01 0.21 9.38 0.00 -1.26 -2.21 121.76 127.58 1y13 s ALA 32 Ca 0.45 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1y13 s ALA 32 Cb -0.24 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1y13 s ALA 32 CO 0.30 -0.29 0.19 2.48 0.00 0.00 0.00 175.76 178.44 1y13 n TYR 33 N 4.66 -0.55 -1.67 0.00 0.18 -0.46 -4.87 117.16 114.45 1y13 n TYR 33 Ca -0.18 -1.79 -0.46 0.00 1.88 0.00 0.00 57.90 57.36 1y13 n TYR 33 Cb 0.50 0.20 -0.04 0.00 -0.38 0.00 0.00 39.34 39.62 1y13 n TYR 33 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1y13 n ASN 34 N -2.13 3.76 -0.01 9.48 3.02 -1.26 -1.44 115.26 126.67 1y13 n ASN 34 Ca 0.05 0.92 -0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1y13 n ASN 34 Cb 0.39 -1.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1y13 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y13 n GLY 35 N 4.52 0.37 3.01 7.41 0.00 -1.26 -5.01 105.19 114.23 1y13 n GLY 35 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1y13 n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y13 s PHE 36 N -1.74 -0.22 -0.07 1.61 2.19 -0.52 -5.14 117.98 114.09 1y13 s PHE 36 Ca 0.00 0.56 -0.03 0.00 0.33 0.00 0.00 56.93 57.79 1y13 s PHE 36 Cb 0.00 0.01 0.04 0.00 -1.31 0.00 0.00 43.02 41.76 1y13 s PHE 36 CO 0.00 -0.16 0.16 0.50 1.83 0.00 0.00 175.22 177.55 1y13 s ARG 37 N 0.80 0.11 0.35 10.12 3.00 -1.26 -1.36 118.95 130.72 1y13 s ARG 37 Ca -0.06 0.39 0.08 0.00 -1.00 0.00 0.00 55.73 55.14 1y13 s ARG 37 Cb -0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 34.95 34.68 1y13 s ARG 37 CO -0.04 -0.16 0.26 -1.83 0.00 0.00 0.00 175.30 173.52 1y13 s GLU 38 N 1.17 2.58 0.53 5.12 -1.05 -0.94 -5.03 118.70 121.07 1y13 s GLU 38 Ca -0.09 -1.42 -0.19 0.00 -0.15 0.00 0.00 54.97 53.12 1y13 s GLU 38 Cb -0.11 -2.36 -0.06 0.00 -0.44 0.00 0.00 34.13 31.16 1y13 s GLU 38 CO -0.06 0.05 1.10 0.95 0.95 0.00 0.00 175.26 178.25 1y13 s THR 39 N -2.37 3.36 0.14 1.83 -4.23 -1.26 -4.68 115.64 108.43 1y13 s THR 39 Ca 0.41 0.83 -0.34 0.00 -1.18 0.00 0.00 61.69 61.41 1y13 s THR 39 Cb -0.04 -3.33 -0.16 0.00 1.34 0.00 0.00 72.50 70.31 1y13 s THR 39 CO 0.25 -0.20 1.28 -0.11 -0.54 0.00 0.00 174.62 175.31 1y13 n LEU 40 N -1.26 1.75 0.00 4.79 7.94 -1.26 -4.74 117.00 124.21 1y13 n LEU 40 Ca 0.11 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1y13 n LEU 40 Cb 0.51 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.24 1y13 n LEU 40 CO 0.42 -1.09 0.00 0.00 -1.11 0.00 0.00 177.39 175.61 1y13 n HIS 41 N 2.08 -0.05 -3.87 1.96 1.44 -0.90 -5.01 115.22 110.87 1y13 n HIS 41 Ca 0.16 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.79 1y13 n HIS 41 Cb 0.23 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.33 1y13 n HIS 41 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1y13 s GLY 42 N -0.06 0.20 0.00 -1.39 0.00 -1.26 -1.32 107.32 103.49 1y13 s GLY 42 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 44.72 44.00 1y13 s GLY 42 CO 0.00 -0.26 0.31 0.30 0.00 0.00 0.00 173.10 173.45 1y13 s HIS 43 N -3.36 -0.16 -0.61 1.90 3.76 -0.41 -4.99 115.29 111.42 1y13 s HIS 43 Ca 0.15 0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 54.98 1y13 s HIS 43 Cb -0.05 0.10 0.05 0.00 1.11 0.00 0.00 32.58 33.79 1y13 s HIS 43 CO 0.09 -0.43 1.01 -0.80 -0.85 0.00 0.00 174.74 173.76 1y13 s ASN 44 N -1.57 6.28 0.13 1.40 0.02 -1.26 -1.64 114.94 118.30 1y13 s ASN 44 Ca -0.11 -0.51 -0.18 0.00 -1.02 0.00 0.00 52.86 51.04 1y13 s ASN 44 Cb -0.04 -2.46 -0.07 0.00 0.02 0.00 0.00 41.25 38.71 1y13 s ASN 44 CO 0.02 -1.38 0.61 -0.31 0.02 0.00 0.00 177.10 176.05 1y13 s TYR 45 N 4.27 3.73 -0.03 2.20 1.51 0.07 -4.33 117.35 124.77 1y13 s TYR 45 Ca 0.30 1.26 0.04 0.00 -1.01 0.00 0.00 57.07 57.65 1y13 s TYR 45 Cb -0.13 -2.50 -0.00 0.00 -0.11 0.00 0.00 41.96 39.22 1y13 s TYR 45 CO 0.17 0.49 -0.14 1.21 -1.11 0.00 0.00 175.55 176.17 1y13 s ASN 46 N -1.39 1.72 -0.12 2.29 3.84 -0.57 -1.25 114.94 119.47 1y13 s ASN 46 Ca 0.34 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 53.15 1y13 s ASN 46 Cb -0.18 -0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 40.07 1y13 s ASN 46 CO 0.20 0.12 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.77 1y13 s VAL 47 N 0.06 2.70 0.01 -5.21 1.01 0.16 -0.86 120.40 118.26 1y13 s VAL 47 Ca -0.02 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1y13 s VAL 47 Cb -0.10 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1y13 s VAL 47 CO 0.01 0.54 -0.25 -0.94 0.00 0.00 0.00 175.10 174.46 1y13 s SER 48 N 0.34 2.97 -0.07 3.32 1.04 -0.53 -4.46 113.70 116.31 1y13 s SER 48 Ca -0.14 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1y13 s SER 48 Cb -0.17 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.65 1y13 s SER 48 CO 0.07 0.28 -0.22 -0.22 0.98 0.00 0.00 173.24 174.13 1y13 s LEU 49 N -0.85 2.01 -0.02 2.42 2.96 -0.84 -1.08 118.68 123.28 1y13 s LEU 49 Ca 0.10 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1y13 s LEU 49 Cb -0.10 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 1y13 s LEU 49 CO 0.00 0.18 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.36 1y13 s LYS 50 N 0.14 1.02 0.01 1.98 2.20 0.00 -1.32 119.74 123.78 1y13 s LYS 50 Ca -0.11 -0.35 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1y13 s LYS 50 Cb -0.15 -0.95 -0.02 0.00 -1.51 0.00 0.00 37.83 35.20 1y13 s LYS 50 CO 0.06 0.16 -0.17 0.14 -0.36 0.00 0.00 175.35 175.17 1y13 s VAL 51 N 0.07 1.35 -0.16 4.02 -7.23 -0.43 -0.92 120.40 117.10 1y13 s VAL 51 Ca -0.01 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1y13 s VAL 51 Cb -0.08 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 1y13 s VAL 51 CO 0.00 0.26 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.39 1y13 s ARG 52 N -0.71 3.53 0.00 4.82 3.52 -0.38 -1.87 118.95 127.86 1y13 s ARG 52 Ca 0.06 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1y13 s ARG 52 Cb -0.07 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1y13 s ARG 52 CO 0.00 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 1y13 n GLY 53 N 3.83 4.38 3.01 8.12 0.00 -0.19 -1.72 105.19 122.62 1y13 n GLY 53 Ca -0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1y13 n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y13 s TYR 54 N 1.09 0.26 -0.10 1.61 2.02 -1.26 -1.50 117.35 119.46 1y13 s TYR 54 Ca 0.00 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 55.87 1y13 s TYR 54 Cb 0.00 -0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1y13 s TYR 54 CO 0.00 -0.23 1.72 0.08 -1.57 0.00 0.00 175.55 175.56 1y13 s VAL 55 N -1.74 3.50 0.69 0.71 1.01 -1.26 -3.93 120.40 119.38 1y13 s VAL 55 Ca -0.13 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 1y13 s VAL 55 Cb -0.08 -3.43 0.14 0.00 0.00 0.00 0.00 36.38 33.01 1y13 s VAL 55 CO -0.02 -0.11 0.95 0.54 0.00 0.00 0.00 175.10 176.46 1y13 n ARG 56 N 7.44 -0.24 0.04 2.72 5.12 0.08 -4.90 116.66 126.93 1y13 n ARG 56 Ca 0.19 -2.34 0.07 0.00 -1.93 0.00 0.00 57.85 53.84 1y13 n ARG 56 Cb 0.43 -0.71 0.30 0.00 -1.16 0.00 0.00 32.46 31.32 1y13 n ARG 56 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1y13 n ASP 57 N -3.07 0.19 -0.25 0.55 5.68 -1.26 -1.06 116.55 117.34 1y13 n ASP 57 Ca 0.15 0.56 0.13 0.00 -0.50 0.00 0.00 54.79 55.13 1y13 n ASP 57 Cb 0.53 -0.60 0.39 0.00 -1.14 0.00 0.00 41.12 40.30 1y13 n ASP 57 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1y13 n ASP 58 N -1.73 1.02 0.00 -1.12 5.75 -1.26 -4.95 116.55 114.26 1y13 n ASP 58 Ca 0.02 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 1y13 n ASP 58 Cb 0.12 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1y13 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y13 n GLY 59 N 1.34 0.64 3.54 6.12 0.00 -0.22 -5.08 105.19 111.53 1y13 n GLY 59 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1y13 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y13 s TYR 60 N -2.42 2.61 0.01 1.61 2.02 -1.26 -4.75 117.35 115.18 1y13 s TYR 60 Ca 0.00 -0.23 -0.25 0.00 -0.37 0.00 0.00 57.07 56.22 1y13 s TYR 60 Cb 0.00 -1.32 -0.17 0.00 -0.40 0.00 0.00 41.96 40.08 1y13 s TYR 60 CO 0.00 0.47 1.28 0.28 -1.57 0.00 0.00 175.55 176.01 1y13 h VAL 61 N 3.04 0.74 -2.06 0.71 2.07 -1.93 0.27 116.25 119.08 1y13 h VAL 61 Ca -0.48 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 1y13 h VAL 61 Cb 1.19 1.05 -0.19 0.00 -1.52 0.00 0.00 31.29 31.82 1y13 h VAL 61 CO 0.52 0.12 0.16 -0.51 0.02 0.00 0.00 177.57 177.87 1y13 s ILE 62 N -4.77 0.00 0.13 4.57 2.07 -1.26 -4.72 121.20 117.22 1y13 s ILE 62 Ca -0.14 -0.03 -0.33 0.00 -1.41 0.00 0.00 60.65 58.73 1y13 s ILE 62 Cb 0.02 -0.98 -0.13 0.00 0.13 0.00 0.00 42.46 41.51 1y13 s ILE 62 CO 0.56 -0.02 1.67 -0.67 -1.91 0.00 0.00 174.94 174.57 1y13 n ASP 63 N 0.93 3.37 -0.35 4.50 -0.08 -1.26 -4.89 116.55 118.78 1y13 n ASP 63 Ca -0.19 1.05 0.08 0.00 -1.51 0.00 0.00 54.79 54.22 1y13 n ASP 63 Cb 0.57 -1.45 0.26 0.00 2.34 0.00 0.00 41.12 42.84 1y13 n ASP 63 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1y13 h PHE 64 N 6.77 1.09 -0.31 -0.67 0.04 -2.01 -2.44 116.94 119.42 1y13 h PHE 64 Ca -0.45 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.35 1y13 h PHE 64 Cb 1.25 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 1y13 h PHE 64 CO 0.68 0.43 0.19 0.66 -0.60 0.00 0.00 178.31 179.66 1y13 h SER 65 N 0.94 0.36 -0.28 2.17 4.64 -1.99 -1.18 113.55 118.21 1y13 h SER 65 Ca 0.49 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.77 1y13 h SER 65 Cb 0.53 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1y13 h SER 65 CO -0.26 0.28 0.08 0.40 -0.87 0.00 0.00 176.83 176.46 1y13 h ILE 66 N 0.42 1.21 -0.62 0.95 2.04 -1.82 -1.88 117.51 117.81 1y13 h ILE 66 Ca 0.11 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1y13 h ILE 66 Cb -0.02 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1y13 h ILE 66 CO -0.02 0.22 0.19 -0.07 0.00 0.00 0.00 178.15 178.47 1y13 h LEU 67 N 0.30 0.91 -0.40 1.44 3.38 -1.32 -1.97 115.31 117.65 1y13 h LEU 67 Ca 0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1y13 h LEU 67 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1y13 h LEU 67 CO -0.00 0.88 0.09 0.11 0.09 0.00 0.00 178.44 179.61 1y13 h LYS 68 N 0.89 0.64 -0.81 1.13 1.57 -1.23 -1.55 116.57 117.22 1y13 h LYS 68 Ca 0.20 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1y13 h LYS 68 Cb 0.30 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1y13 h LYS 68 CO -0.01 0.67 0.37 1.49 -0.57 0.00 0.00 179.45 181.40 1y13 h GLU 69 N 0.50 1.18 -0.15 3.15 4.81 -1.22 -1.01 114.58 121.83 1y13 h GLU 69 Ca 0.12 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.95 1y13 h GLU 69 Cb 0.32 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1y13 h GLU 69 CO 0.00 0.92 -0.77 0.87 -0.73 0.00 0.00 179.01 179.30 1y13 h LYS 70 N 1.15 0.77 -0.56 1.92 1.79 -1.20 -2.47 116.57 117.97 1y13 h LYS 70 Ca 0.27 -0.63 -0.04 0.00 -2.18 0.00 0.00 60.65 58.08 1y13 h LYS 70 Cb 0.15 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1y13 h LYS 70 CO -0.03 1.23 0.20 0.28 -1.08 0.00 0.00 179.45 180.05 1y13 h VAL 71 N 0.53 1.23 -0.85 0.50 2.07 -1.16 -2.68 116.25 115.89 1y13 h VAL 71 Ca -0.05 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1y13 h VAL 71 Cb 1.39 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1y13 h VAL 71 CO 0.16 0.29 0.42 0.11 0.02 0.00 0.00 177.57 178.56 1y13 h LYS 72 N 0.78 1.21 -0.26 1.57 6.56 -1.14 -1.81 116.57 123.48 1y13 h LYS 72 Ca 0.18 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1y13 h LYS 72 Cb 0.24 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1y13 h LYS 72 CO -0.01 0.92 0.11 -0.22 -2.06 0.00 0.00 179.45 178.19 1y13 h LYS 73 N 1.20 0.38 -0.49 3.15 3.64 -1.33 -0.03 116.57 123.10 1y13 h LYS 73 Ca 0.29 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1y13 h LYS 73 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1y13 h LYS 73 CO -0.04 0.40 -0.20 0.28 -2.27 0.00 0.00 179.45 177.62 1y13 h VAL 74 N 0.28 1.27 -0.45 2.00 2.07 -1.28 -2.93 116.25 117.21 1y13 h VAL 74 Ca 0.09 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1y13 h VAL 74 Cb 0.15 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1y13 h VAL 74 CO -0.01 0.47 0.23 0.00 0.02 0.00 0.00 177.57 178.28 1y13 h ASN 76 N 0.59 0.54 0.03 0.00 2.35 -0.88 -1.33 115.58 116.88 1y13 h ASN 76 Ca 0.16 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1y13 h ASN 76 Cb 0.10 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1y13 h ASN 76 CO -0.02 0.31 -0.39 0.11 -1.65 0.00 0.00 177.43 175.78 1y13 h LYS 77 N 0.59 0.48 0.11 0.81 6.56 -1.32 -3.20 116.57 120.60 1y13 h LYS 77 Ca 0.36 -0.23 -0.28 0.00 -1.06 0.00 0.00 60.65 59.44 1y13 h LYS 77 Cb 0.59 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1y13 h LYS 77 CO -0.13 0.79 -1.32 -0.07 -2.06 0.00 0.00 179.45 176.66 1y13 h LEU 78 N 0.40 0.37 -9.54 2.94 4.07 -1.40 -3.48 115.31 108.67 1y13 h LEU 78 Ca 0.04 -0.43 -0.60 0.00 0.08 0.00 0.00 57.88 56.97 1y13 h LEU 78 Cb 0.86 -0.12 0.09 0.00 1.08 0.00 0.00 40.66 42.58 1y13 h LEU 78 CO 0.07 1.35 0.40 -0.67 -1.08 0.00 0.00 178.44 178.51 1y13 n ASP 79 N -3.48 2.10 -2.31 -0.43 2.03 -0.55 -3.53 116.55 110.39 1y13 n ASP 79 Ca -0.10 1.16 -0.11 0.00 0.52 0.00 0.00 54.79 56.26 1y13 n ASP 79 Cb 1.02 -1.36 0.05 0.00 -0.72 0.00 0.00 41.12 40.11 1y13 n ASP 79 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1y13 n HIS 80 N 1.10 -1.34 -4.14 -0.67 8.25 -0.48 -4.90 115.22 113.04 1y13 n HIS 80 Ca 0.10 0.54 -0.10 0.00 -0.26 0.00 0.00 57.72 58.00 1y13 n HIS 80 Cb 0.31 -3.56 -0.10 0.00 1.12 0.00 0.00 29.99 27.76 1y13 n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1y13 s HIS 81 N -3.19 0.86 -0.14 4.41 3.76 -1.23 -4.99 115.29 114.77 1y13 s HIS 81 Ca 0.11 -1.22 -0.24 0.00 -0.15 0.00 0.00 55.06 53.56 1y13 s HIS 81 Cb -0.05 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1y13 s HIS 81 CO 0.40 -0.53 0.73 0.12 -0.85 0.00 0.00 174.74 174.62 1y13 s PHE 82 N -4.05 3.47 -0.35 1.40 5.36 0.09 -1.25 117.98 122.66 1y13 s PHE 82 Ca 0.24 1.18 -0.28 0.00 -0.96 0.00 0.00 56.93 57.11 1y13 s PHE 82 Cb 0.07 -2.88 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 1y13 s PHE 82 CO 0.02 -0.10 1.06 0.42 -1.46 0.00 0.00 175.22 175.16 1y13 s ILE 83 N 1.57 4.49 -0.33 3.12 1.01 -0.18 -1.00 121.20 129.86 1y13 s ILE 83 Ca 0.36 1.59 -0.10 0.00 0.00 0.00 0.00 60.65 62.49 1y13 s ILE 83 Cb -0.17 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.88 1y13 s ILE 83 CO 0.14 -0.55 0.18 -0.22 0.00 0.00 0.00 174.94 174.49 1y13 s LEU 84 N 3.72 4.33 -0.88 2.97 1.98 -0.60 -4.74 118.68 125.46 1y13 s LEU 84 Ca 0.44 -0.65 -0.21 0.00 -2.89 0.00 0.00 54.13 50.83 1y13 s LEU 84 Cb -0.11 -2.02 0.09 0.00 0.66 0.00 0.00 46.19 44.80 1y13 s LEU 84 CO 0.18 -0.25 1.18 -2.16 -1.89 0.00 0.00 176.35 173.41 1y13 s PRO 85 N 1.61 3.46 0.37 0.98 0.04 -1.26 -1.02 135.00 139.18 1y13 s PRO 85 Ca 0.04 -1.30 0.27 0.00 0.04 0.00 0.00 61.00 60.05 1y13 s PRO 85 Cb -0.18 -4.83 1.30 0.00 0.04 0.00 0.00 34.50 30.83 1y13 s PRO 85 CO 0.07 -1.92 1.81 -0.84 0.04 0.00 0.00 177.00 176.16 1y13 h ILE 86 N 6.12 0.00 -0.48 0.56 3.07 -1.33 -0.93 117.51 124.52 1y13 h ILE 86 Ca 0.04 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1y13 h ILE 86 Cb 1.03 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1y13 h ILE 86 CO 1.21 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 177.09 1y13 n TYR 87 N -2.45 0.64 -1.63 0.16 4.02 -0.85 -4.98 117.16 112.06 1y13 n TYR 87 Ca -0.00 -0.32 -0.48 0.00 -0.01 0.00 0.00 57.90 57.09 1y13 n TYR 87 Cb 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 1y13 n TYR 87 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y13 n SER 88 N 1.17 2.27 -0.18 7.72 2.88 -0.35 -4.57 113.62 122.56 1y13 n SER 88 Ca 0.19 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.99 1y13 n SER 88 Cb 0.50 -1.32 0.51 0.00 -0.75 0.00 0.00 64.21 63.16 1y13 n SER 88 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y13 n ASP 89 N 2.61 0.73 0.00 -3.46 5.75 -1.26 -4.18 116.55 116.73 1y13 n ASP 89 Ca 0.16 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 1y13 n ASP 89 Cb 0.26 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1y13 n ASP 89 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1y13 n VAL 90 N -0.79 0.49 -5.14 2.12 0.24 -1.26 -5.03 118.33 108.96 1y13 n VAL 90 Ca 0.14 -0.60 -0.29 0.00 -2.04 0.00 0.00 64.34 61.55 1y13 n VAL 90 Cb 0.31 0.85 -0.16 0.00 -1.47 0.00 0.00 33.84 33.37 1y13 n VAL 90 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y13 s LEU 91 N -0.49 2.05 -0.11 1.34 1.43 -1.26 -3.53 118.68 118.12 1y13 s LEU 91 Ca 0.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1y13 s LEU 91 Cb 0.00 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1y13 s LEU 91 CO 0.00 0.28 0.00 -0.75 0.23 0.00 0.00 176.35 176.11 1y13 s LYS 92 N -0.58 3.23 -0.06 1.70 2.36 -0.21 -4.88 119.74 121.30 1y13 s LYS 92 Ca 0.09 -0.42 0.04 0.00 -2.55 0.00 0.00 55.97 53.13 1y13 s LYS 92 Cb -0.09 -2.87 -0.02 0.00 -1.05 0.00 0.00 37.83 33.80 1y13 s LYS 92 CO -0.01 0.56 -0.17 -0.06 1.55 0.00 0.00 175.35 177.23 1y13 s PHE 93 N -0.50 2.65 0.07 4.03 0.08 -1.26 -0.93 117.98 122.12 1y13 s PHE 93 Ca 0.09 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.83 1y13 s PHE 93 Cb -0.12 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1y13 s PHE 93 CO 0.02 0.03 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.82 1y13 s GLU 94 N -0.43 0.86 -0.28 0.44 2.02 -0.29 -4.98 118.70 116.03 1y13 s GLU 94 Ca 0.05 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.13 1y13 s GLU 94 Cb -0.12 -0.89 0.08 0.00 0.10 0.00 0.00 34.13 33.31 1y13 s GLU 94 CO 0.02 0.20 0.02 1.21 0.02 0.00 0.00 175.26 176.73 1y13 s ASN 95 N -1.61 4.12 -0.07 -0.19 2.47 -1.26 -0.60 114.94 117.80 1y13 s ASN 95 Ca -0.01 -1.57 0.03 0.00 0.42 0.00 0.00 52.86 51.73 1y13 s ASN 95 Cb -0.10 -1.18 0.01 0.00 -1.45 0.00 0.00 41.25 38.53 1y13 s ASN 95 CO 0.02 -0.33 -0.14 0.54 -3.72 0.00 0.00 177.10 173.47 1y13 s VAL 96 N 1.35 1.27 0.00 -5.21 0.11 -0.56 -4.97 120.40 112.39 1y13 s VAL 96 Ca 0.04 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1y13 s VAL 96 Cb -0.18 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 1y13 s VAL 96 CO -0.13 0.38 0.00 0.29 -3.33 0.00 0.00 175.10 172.32 1y13 n LYS 97 N 3.77 0.00 -0.38 1.54 5.02 -1.26 -1.87 118.16 124.99 1y13 n LYS 97 Ca -0.22 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.12 1y13 n LYS 97 Cb 0.52 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.74 1y13 n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y13 n ASN 98 N 3.10 3.03 -4.42 4.39 4.13 -1.26 -4.94 115.26 119.29 1y13 n ASN 98 Ca 0.00 -2.29 -0.28 0.00 1.68 0.00 0.00 54.58 53.68 1y13 n ASN 98 Cb 0.00 -0.46 -0.12 0.00 -1.54 0.00 0.00 39.78 37.65 1y13 n ASN 98 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1y13 s ASN 99 N -0.68 3.44 -0.22 6.41 -0.87 -0.78 -0.22 114.94 122.02 1y13 s ASN 99 Ca 0.29 -0.77 -0.08 0.00 -1.57 0.00 0.00 52.86 50.73 1y13 s ASN 99 Cb 0.19 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.25 41.11 1y13 s ASN 99 CO 0.13 0.16 0.09 -0.63 -2.57 0.00 0.00 177.10 174.29 1y13 s ILE 100 N -1.29 4.81 -0.15 0.60 1.01 0.04 -1.50 121.20 124.73 1y13 s ILE 100 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 1y13 s ILE 100 Cb -0.09 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1y13 s ILE 100 CO 0.08 0.38 0.12 -0.75 0.00 0.00 0.00 174.94 174.78 1y13 s LYS 101 N 0.98 3.67 -0.14 2.79 2.20 0.23 -1.44 119.74 128.02 1y13 s LYS 101 Ca 0.05 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1y13 s LYS 101 Cb -0.14 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1y13 s LYS 101 CO 0.03 0.60 -0.18 0.42 -0.36 0.00 0.00 175.35 175.86 1y13 s ILE 102 N -0.52 2.42 -0.18 5.43 1.01 0.45 -1.14 121.20 128.66 1y13 s ILE 102 Ca 0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1y13 s ILE 102 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1y13 s ILE 102 CO 0.02 0.53 -0.09 -0.63 0.00 0.00 0.00 174.94 174.77 1y13 s ILE 103 N 0.73 3.12 0.63 2.92 1.01 -0.11 -1.41 121.20 128.10 1y13 s ILE 103 Ca -0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1y13 s ILE 103 Cb -0.16 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 39.99 1y13 s ILE 103 CO 0.01 0.48 0.91 0.00 0.00 0.00 0.00 174.94 176.34 1y13 h GLU 105 N -0.31 1.04 -0.43 0.00 5.08 -1.88 -0.41 114.58 117.67 1y13 h GLU 105 Ca -0.44 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1y13 h GLU 105 Cb 1.30 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1y13 h GLU 105 CO 0.58 0.69 0.00 -0.40 -1.00 0.00 0.00 179.01 178.87 1y13 n ASP 106 N -4.54 0.82 0.00 1.42 5.68 -1.26 -4.88 116.55 113.79 1y13 n ASP 106 Ca 0.16 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1y13 n ASP 106 Cb 0.26 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1y13 n ASP 106 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1y13 n ASN 107 N -0.15 -3.24 -4.78 -1.12 3.02 -0.16 -5.02 115.26 103.81 1y13 n ASN 107 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 1y13 n ASN 107 Cb 0.17 -1.99 0.01 0.00 -0.61 0.00 0.00 39.78 37.36 1y13 n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1y13 s SER 108 N -2.13 5.63 0.07 6.41 1.04 -1.26 -4.75 113.70 118.71 1y13 s SER 108 Ca 0.00 2.05 0.05 0.00 0.48 0.00 0.00 55.95 58.53 1y13 s SER 108 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1y13 s SER 108 CO 0.00 -1.27 -0.13 -1.61 0.98 0.00 0.00 173.24 171.20 1y13 s GLU 109 N -3.60 0.79 0.06 4.02 2.02 -1.26 -0.88 118.70 119.85 1y13 s GLU 109 Ca 0.69 -0.94 0.05 0.00 0.02 0.00 0.00 54.97 54.79 1y13 s GLU 109 Cb -0.21 -0.76 -0.03 0.00 0.10 0.00 0.00 34.13 33.23 1y13 s GLU 109 CO 0.31 0.17 -0.14 0.71 0.02 0.00 0.00 175.26 176.33 1y13 s TYR 110 N -1.34 1.21 -0.04 1.61 1.51 -0.50 -4.98 117.35 114.82 1y13 s TYR 110 Ca -0.02 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1y13 s TYR 110 Cb -0.10 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1y13 s TYR 110 CO 0.02 0.05 0.08 0.45 -1.11 0.00 0.00 175.55 175.03 1y13 s SER 111 N -1.50 0.08 0.09 2.29 0.15 -1.26 -0.42 113.70 113.13 1y13 s SER 111 Ca -0.01 0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.84 1y13 s SER 111 Cb -0.09 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1y13 s SER 111 CO 0.02 -0.15 -0.15 -0.36 1.20 0.00 0.00 173.24 173.80 1y13 s PHE 112 N 1.20 1.36 0.37 3.44 0.40 -0.52 -4.99 117.98 119.24 1y13 s PHE 112 Ca -0.08 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.49 1y13 s PHE 112 Cb -0.12 -0.75 -0.11 0.00 0.51 0.00 0.00 43.02 42.55 1y13 s PHE 112 CO -0.04 0.10 1.49 -2.30 0.70 0.00 0.00 175.22 175.17 1y13 n PRO 113 N 1.08 2.66 -0.28 0.24 -0.02 -1.26 -0.78 135.00 136.64 1y13 n PRO 113 Ca -0.20 0.93 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 1y13 n PRO 113 Cb 0.55 -2.66 0.28 0.00 -0.02 0.00 0.00 33.50 31.64 1y13 n PRO 113 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1y13 h GLU 114 N 3.00 0.91 0.00 -0.52 4.11 -0.90 0.61 114.58 121.78 1y13 h GLU 114 Ca -0.50 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1y13 h GLU 114 Cb 1.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1y13 h GLU 114 CO 0.64 0.60 0.00 -0.09 0.07 0.00 0.00 179.01 180.23 1y13 h ARG 115 N 0.93 0.00 0.00 1.06 9.65 -1.90 -1.95 114.38 122.18 1y13 h ARG 115 Ca 0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 1y13 h ARG 115 Cb 0.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1y13 h ARG 115 CO -0.15 0.00 -0.06 -0.44 2.80 0.00 0.00 179.97 182.12 1y13 h ASP 116 N 0.00 0.00 -2.76 -3.80 5.19 -1.23 -3.46 116.42 110.37 1y13 h ASP 116 Ca 0.00 -0.02 -0.65 0.00 -0.62 0.00 0.00 57.03 55.74 1y13 h ASP 116 Cb 0.21 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 1y13 h ASP 116 CO 0.00 0.01 -0.45 0.00 -3.12 0.00 0.00 179.24 175.67 1y13 s ILE 118 N -1.17 3.16 -0.59 0.00 1.10 -0.17 -4.90 121.20 118.62 1y13 s ILE 118 Ca 0.21 -0.91 -0.22 0.00 -0.51 0.00 0.00 60.65 59.22 1y13 s ILE 118 Cb -0.13 -2.60 0.06 0.00 0.15 0.00 0.00 42.46 39.94 1y13 s ILE 118 CO 0.11 0.19 0.90 -0.54 -2.11 0.00 0.00 174.94 173.49 1y13 s LYS 119 N 1.38 3.19 -0.07 3.50 1.02 -1.26 -1.55 119.74 125.95 1y13 s LYS 119 Ca 0.01 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.29 1y13 s LYS 119 Cb -0.17 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 1y13 s LYS 119 CO -0.03 -1.60 0.18 -0.51 -0.92 0.00 0.00 175.35 172.48 1y13 s LEU 120 N 3.76 4.39 -1.47 3.17 1.43 -0.19 -4.93 118.68 124.84 1y13 s LEU 120 Ca 0.24 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 1y13 s LEU 120 Cb -0.16 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1y13 s LEU 120 CO 0.14 0.35 2.53 -0.81 0.23 0.00 0.00 176.35 178.79 1y13 n PRO 121 N 1.61 3.12 -4.12 1.29 -0.04 -1.26 -1.77 135.00 133.82 1y13 n PRO 121 Ca -0.16 -2.32 -0.12 0.00 -0.04 0.00 0.00 63.50 60.86 1y13 n PRO 121 Cb 0.54 -3.01 -0.11 0.00 -0.04 0.00 0.00 33.50 30.88 1y13 n PRO 121 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1y13 s ILE 122 N 2.85 0.64 0.03 0.52 -4.36 -1.26 -4.90 121.20 114.71 1y13 s ILE 122 Ca 0.57 -1.56 0.07 0.00 -0.26 0.00 0.00 60.65 59.47 1y13 s ILE 122 Cb 0.16 -1.21 -0.23 0.00 1.25 0.00 0.00 42.46 42.42 1y13 s ILE 122 CO -0.06 -0.65 0.94 0.11 0.24 0.00 0.00 174.94 175.51 1y13 h LYS 123 N 3.64 0.05 -4.41 0.37 1.57 -1.86 -2.26 116.57 113.68 1y13 h LYS 123 Ca -0.36 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 58.04 1y13 h LYS 123 Cb 1.18 0.03 -0.24 0.00 0.08 0.00 0.00 32.23 33.28 1y13 h LYS 123 CO 0.54 0.83 -0.74 -1.01 -0.57 0.00 0.00 179.45 178.50 1y13 s HIS 124 N -2.64 0.55 -0.10 -1.35 3.76 -1.26 -3.63 115.29 110.62 1y13 s HIS 124 Ca -0.04 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1y13 s HIS 124 Cb 0.09 -0.34 -0.08 0.00 1.11 0.00 0.00 32.58 33.36 1y13 s HIS 124 CO 0.83 -0.06 2.78 -1.13 -0.85 0.00 0.00 174.74 176.31 1y13 n SER 125 N 2.10 5.58 -4.87 1.40 3.41 -1.26 -4.57 113.62 115.41 1y13 n SER 125 Ca -0.19 -2.62 -0.30 0.00 -0.26 0.00 0.00 58.87 55.50 1y13 n SER 125 Cb 0.56 -1.26 -0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1y13 n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y13 s SER 126 N 1.57 6.34 0.20 4.04 1.04 -1.26 -4.84 113.70 120.79 1y13 s SER 126 Ca 0.39 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 58.03 1y13 s SER 126 Cb 0.21 -2.42 0.13 0.00 0.10 0.00 0.00 66.02 64.04 1y13 s SER 126 CO -0.03 -0.72 1.87 0.74 0.98 0.00 0.00 173.24 176.08 1y13 h THR 127 N 0.15 1.17 -0.14 2.02 2.02 -1.95 0.45 112.91 116.64 1y13 h THR 127 Ca -0.45 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.46 1y13 h THR 127 Cb 1.19 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1y13 h THR 127 CO 0.62 0.17 -0.24 -0.33 0.37 0.00 0.00 175.52 176.11 1y13 h GLU 128 N 0.92 -0.29 -0.26 6.66 3.07 -1.93 0.92 114.58 123.67 1y13 h GLU 128 Ca 0.25 0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.97 1y13 h GLU 128 Cb -0.10 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1y13 h GLU 128 CO -0.06 -0.19 -0.51 0.93 -1.40 0.00 0.00 179.01 177.78 1y13 h GLU 129 N -0.30 0.72 -0.42 2.33 5.08 -1.74 -1.85 114.58 118.40 1y13 h GLU 129 Ca 0.10 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1y13 h GLU 129 Cb 0.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1y13 h GLU 129 CO -0.31 1.06 0.27 0.82 -1.00 0.00 0.00 179.01 179.84 1y13 h ILE 130 N 0.57 1.08 -0.41 3.13 2.04 -0.88 -2.25 117.51 120.79 1y13 h ILE 130 Ca 0.02 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1y13 h ILE 130 Cb 1.07 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1y13 h ILE 130 CO 0.11 0.10 -0.04 1.23 0.00 0.00 0.00 178.15 179.55 1y13 h GLY 131 N 0.54 0.37 0.58 5.37 0.00 -0.58 -0.10 103.07 109.24 1y13 h GLY 131 Ca 0.16 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.64 1y13 h GLY 131 CO -0.05 -0.12 0.24 1.46 0.00 0.00 0.00 176.54 178.06 1y13 h GLN 132 N 0.06 0.44 -0.31 4.80 4.20 -1.21 0.10 115.11 123.20 1y13 h GLN 132 Ca 0.20 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1y13 h GLN 132 Cb 0.29 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1y13 h GLN 132 CO -0.37 0.29 0.18 -0.92 -0.67 0.00 0.00 178.83 177.34 1y13 h TYR 133 N 0.45 0.41 -0.83 2.96 3.20 -0.97 -2.02 116.97 120.18 1y13 h TYR 133 Ca 0.26 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.15 1y13 h TYR 133 Cb 0.24 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1y13 h TYR 133 CO -0.13 0.32 0.54 0.82 -1.64 0.00 0.00 178.16 178.07 1y13 h ILE 134 N 0.39 1.16 -0.14 1.81 2.04 -0.50 -1.51 117.51 120.75 1y13 h ILE 134 Ca 0.11 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1y13 h ILE 134 Cb 0.04 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1y13 h ILE 134 CO -0.02 0.20 0.09 0.25 0.00 0.00 0.00 178.15 178.66 1y13 h LEU 135 N 1.07 0.17 -0.16 1.44 5.85 -0.62 0.53 115.31 123.59 1y13 h LEU 135 Ca 0.32 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1y13 h LEU 135 Cb -0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1y13 h LEU 135 CO -0.10 0.15 0.08 0.78 -0.34 0.00 0.00 178.44 179.02 1y13 h ASN 136 N 0.17 0.12 -0.60 1.25 2.35 -1.17 -0.93 115.58 116.77 1y13 h ASN 136 Ca 0.05 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1y13 h ASN 136 Cb 0.01 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 1y13 h ASN 136 CO -0.01 0.10 0.22 1.56 -1.65 0.00 0.00 177.43 177.64 1y13 h GLN 137 N 0.17 0.38 -0.34 0.81 1.08 -0.97 -1.71 115.11 114.53 1y13 h GLN 137 Ca 0.06 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.11 1y13 h GLN 137 Cb 0.01 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1y13 h GLN 137 CO -0.04 0.25 -0.30 -0.07 -0.95 0.00 0.00 178.83 177.72 1y13 h LEU 138 N 0.40 0.76 -0.84 1.46 3.38 -0.60 0.90 115.31 120.76 1y13 h LEU 138 Ca 0.31 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1y13 h LEU 138 Cb 0.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1y13 h LEU 138 CO -0.31 1.01 0.46 0.40 0.09 0.00 0.00 178.44 180.09 1y13 h ILE 139 N 0.62 1.25 -0.25 1.22 2.04 -0.81 -2.71 117.51 118.87 1y13 h ILE 139 Ca 0.07 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1y13 h ILE 139 Cb 0.82 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1y13 h ILE 139 CO 0.07 0.28 -0.02 -0.33 0.00 0.00 0.00 178.15 178.15 1y13 h GLU 140 N 1.18 0.46 -0.04 2.37 5.08 -0.80 -2.47 114.58 120.35 1y13 h GLU 140 Ca 0.30 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1y13 h GLU 140 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1y13 h GLU 140 CO -0.05 0.65 0.00 0.39 -1.00 0.00 0.00 179.01 179.00 1y13 n GLU 141 N -4.60 0.00 -3.17 2.33 -0.58 0.26 -4.65 120.64 110.23 1y13 n GLU 141 Ca -0.04 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.75 1y13 n GLU 141 Cb 0.26 -0.92 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1y13 n GLU 141 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1y13 s ASP 143 N -0.79 -0.56 0.53 1.62 2.15 -0.93 -5.09 116.67 113.61 1y13 s ASP 143 Ca 0.00 0.39 0.22 0.00 0.43 0.00 0.00 52.55 53.59 1y13 s ASP 143 Cb 0.00 1.48 1.38 0.00 -0.30 0.00 0.00 42.92 45.48 1y13 s ASP 143 CO 0.00 -0.10 2.07 1.62 -0.17 0.00 0.00 175.17 178.58 1y13 h VAL 144 N 5.41 0.81 0.03 1.11 3.04 -1.82 -2.29 116.25 122.52 1y13 h VAL 144 Ca -0.15 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.33 1y13 h VAL 144 Cb 1.17 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.27 1y13 h VAL 144 CO -0.04 0.00 -1.01 0.77 -1.01 0.00 0.00 177.57 176.28 1y13 h SER 145 N 0.00 0.12 0.18 3.17 4.64 -1.99 -1.94 113.55 117.73 1y13 h SER 145 Ca 0.14 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1y13 h SER 145 Cb 0.58 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1y13 h SER 145 CO -0.00 1.05 -0.16 0.25 -0.87 0.00 0.00 176.83 177.11 1y13 h LEU 146 N 0.03 -0.41 -0.70 5.97 5.85 -1.86 -1.22 115.31 122.96 1y13 h LEU 146 Ca -0.04 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1y13 h LEU 146 Cb 1.74 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.85 1y13 h LEU 146 CO 0.14 -0.24 0.37 -0.07 -0.34 0.00 0.00 178.44 178.31 1y13 h LEU 147 N -0.35 0.52 -0.77 2.25 3.38 -1.43 -2.25 115.31 116.65 1y13 h LEU 147 Ca -0.00 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1y13 h LEU 147 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1y13 h LEU 147 CO -0.03 0.31 -0.10 0.11 0.09 0.00 0.00 178.44 178.82 1y13 h LYS 148 N 0.65 0.82 0.00 1.13 1.79 -1.28 -0.30 116.57 119.39 1y13 h LYS 148 Ca 0.33 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1y13 h LYS 148 Cb 0.29 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1y13 h LYS 148 CO -0.23 0.89 -0.22 0.66 -1.08 0.00 0.00 179.45 179.46 1y13 h SER 149 N 0.74 0.00 0.03 0.86 4.64 -0.66 -2.00 113.55 117.16 1y13 h SER 149 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1y13 h SER 149 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1y13 h SER 149 CO 0.04 0.22 -0.06 0.54 -0.87 0.00 0.00 176.83 176.70 1y13 n ARG 150 N -4.04 1.58 -2.45 4.77 1.74 -0.93 -4.95 116.66 112.38 1y13 n ARG 150 Ca -0.02 -0.99 -0.15 0.00 -0.77 0.00 0.00 57.85 55.92 1y13 n ARG 150 Cb 0.30 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1y13 n ARG 150 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1y13 n HIS 151 N 0.16 -0.93 -2.49 -1.55 8.25 -0.75 -4.46 115.22 113.44 1y13 n HIS 151 Ca 0.17 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 1y13 n HIS 151 Cb 0.38 -3.24 -0.03 0.00 1.12 0.00 0.00 29.99 28.23 1y13 n HIS 151 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1y13 s ILE 152 N -2.82 4.29 0.00 1.59 1.01 -0.19 -4.48 121.20 120.60 1y13 s ILE 152 Ca 0.07 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1y13 s ILE 152 Cb -0.03 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1y13 s ILE 152 CO 0.09 0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.44 1y13 n HIS 153 N 4.77 0.00 -3.68 3.97 1.44 -0.70 -4.49 115.22 116.53 1y13 n HIS 153 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.69 1y13 n HIS 153 Cb 0.47 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.49 1y13 n HIS 153 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1y13 s TYR 154 N -0.17 -0.68 -0.01 -1.40 5.04 -1.23 -0.30 117.35 118.61 1y13 s TYR 154 Ca 0.00 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.19 1y13 s TYR 154 Cb 0.00 0.30 -0.00 0.00 0.35 0.00 0.00 41.96 42.61 1y13 s TYR 154 CO 0.00 -0.34 -0.06 0.42 -1.34 0.00 0.00 175.55 174.23 1y13 s ILE 155 N 0.79 0.50 -0.02 3.14 1.01 -0.37 -1.25 121.20 125.00 1y13 s ILE 155 Ca -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 1y13 s ILE 155 Cb -0.05 -0.44 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1y13 s ILE 155 CO -0.06 0.15 0.04 -0.70 0.00 0.00 0.00 174.94 174.37 1y13 s GLU 156 N 0.02 -0.01 0.05 2.79 2.12 -0.10 -0.84 118.70 122.73 1y13 s GLU 156 Ca 0.00 0.16 0.09 0.00 0.36 0.00 0.00 54.97 55.58 1y13 s GLU 156 Cb -0.04 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 1y13 s GLU 156 CO -0.00 -0.12 -0.25 0.96 -0.54 0.00 0.00 175.26 175.31 1y13 s ILE 157 N 0.78 2.02 -0.12 -3.70 -4.36 -0.58 -0.82 121.20 114.43 1y13 s ILE 157 Ca -0.06 -1.36 -0.02 0.00 -0.26 0.00 0.00 60.65 58.94 1y13 s ILE 157 Cb -0.09 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 1y13 s ILE 157 CO -0.02 0.31 -0.04 -0.44 0.24 0.00 0.00 174.94 174.99 1y13 s SER 158 N -1.27 4.82 -0.19 4.36 0.01 -0.24 -1.60 113.70 119.59 1y13 s SER 158 Ca 0.11 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1y13 s SER 158 Cb -0.10 -1.59 0.03 0.00 0.21 0.00 0.00 66.02 64.58 1y13 s SER 158 CO 0.02 0.25 -0.15 -0.69 0.41 0.00 0.00 173.24 173.08 1y13 s VAL 159 N -0.11 1.90 -0.11 3.43 1.01 0.60 -1.45 120.40 125.66 1y13 s VAL 159 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1y13 s VAL 159 Cb -0.13 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1y13 s VAL 159 CO 0.03 0.35 0.24 -0.94 0.00 0.00 0.00 175.10 174.77 1y13 s SER 160 N 1.32 6.48 0.28 3.32 1.04 -0.04 -1.03 113.70 125.06 1y13 s SER 160 Ca 0.01 0.57 0.23 0.00 0.48 0.00 0.00 55.95 57.23 1y13 s SER 160 Cb -0.15 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 63.95 1y13 s SER 160 CO -0.10 0.29 1.23 1.05 0.98 0.00 0.00 173.24 176.68 1y13 h GLU 161 N 5.53 0.00 -3.25 4.02 4.11 -1.63 -1.51 114.58 121.86 1y13 h GLU 161 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1y13 h GLU 161 Cb 1.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1y13 h GLU 161 CO 0.65 0.00 0.13 -1.54 0.07 0.00 0.00 179.01 178.32 1y13 s SER 162 N -5.60 -0.04 0.25 3.06 1.04 -1.23 -4.23 113.70 106.94 1y13 s SER 162 Ca 0.02 -0.91 0.18 0.00 0.48 0.00 0.00 55.95 55.72 1y13 s SER 162 Cb 0.08 0.73 0.92 0.00 0.10 0.00 0.00 66.02 67.85 1y13 s SER 162 CO 0.75 -1.39 1.54 -2.65 0.98 0.00 0.00 173.24 172.46 1y13 n PRO 163 N -0.47 0.12 -0.00 4.02 -0.02 -1.26 -3.00 135.00 134.38 1y13 n PRO 163 Ca -0.04 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1y13 n PRO 163 Cb 0.60 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1y13 n PRO 163 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1y13 n THR 164 N -2.09 0.00 -3.75 3.45 -2.24 -1.26 -4.98 114.28 103.41 1y13 n THR 164 Ca -0.01 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1y13 n THR 164 Cb 0.05 0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 1y13 n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y13 s GLN 165 N -2.72 -0.03 0.08 -0.78 -2.07 -1.16 -5.11 119.66 107.86 1y13 s GLN 165 Ca 0.03 0.26 -0.03 0.00 -1.82 0.00 0.00 55.36 53.80 1y13 s GLN 165 Cb 0.12 -0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 1y13 s GLN 165 CO 0.68 -0.20 0.04 -1.59 -1.32 0.00 0.00 175.29 172.90 1y13 s LYS 166 N 1.32 0.75 0.06 9.60 -2.85 -1.26 -1.85 119.74 125.50 1y13 s LYS 166 Ca -0.06 -1.22 0.09 0.00 -1.00 0.00 0.00 55.97 53.77 1y13 s LYS 166 Cb -0.13 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1y13 s LYS 166 CO -0.03 -0.18 -0.24 0.00 0.10 0.00 0.00 175.35 174.99 1y13 s ALA 167 N -3.94 2.35 -0.13 0.59 0.00 -0.20 -4.97 121.76 115.46 1y13 s ALA 167 Ca 0.11 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1y13 s ALA 167 Cb 0.07 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1y13 s ALA 167 CO -0.07 0.54 -0.10 0.42 0.00 0.00 0.00 175.76 176.55 1y13 s ILE 168 N -0.87 1.29 0.19 0.00 1.09 -1.26 -0.29 121.20 121.35 1y13 s ILE 168 Ca 0.13 -0.48 0.10 0.00 -1.10 0.00 0.00 60.65 59.30 1y13 s ILE 168 Cb -0.10 -1.27 -0.04 0.00 -1.06 0.00 0.00 42.46 39.99 1y13 s ILE 168 CO 0.03 0.39 -0.20 0.68 -0.10 0.00 0.00 174.94 175.74 1y13 s VAL 169 N 1.60 2.11 0.22 2.92 -7.23 -0.63 -5.01 120.40 114.39 1y13 s VAL 169 Ca 0.05 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1y13 s VAL 169 Cb -0.13 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1y13 s VAL 169 CO -0.09 -0.27 0.30 -1.38 -0.31 0.00 0.00 175.10 173.35 1y13 s HIS 170 N -2.02 0.72 -0.14 2.82 -3.43 -1.26 -1.52 115.29 110.45 1y13 s HIS 170 Ca 0.20 -1.02 -0.09 0.00 -0.80 0.00 0.00 55.06 53.35 1y13 s HIS 170 Cb -0.06 -0.17 0.05 0.00 -1.43 0.00 0.00 32.58 30.97 1y13 s HIS 170 CO 0.09 -0.81 0.36 0.21 -2.00 0.00 0.00 174.74 172.59 1y13 s LYS 171 N -4.07 0.36 -0.11 -0.38 2.20 -0.02 -5.00 119.74 112.72 1y13 s LYS 171 Ca 0.29 0.64 -0.23 0.00 -0.36 0.00 0.00 55.97 56.31 1y13 s LYS 171 Cb 0.03 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1y13 s LYS 171 CO 0.09 -0.13 0.71 0.71 -0.36 0.00 0.00 175.35 176.38 1y13 s TYR 172 N 0.99 3.51 0.00 4.03 2.02 -1.26 -1.23 117.35 125.40 1y13 s TYR 172 Ca -0.06 1.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 1y13 s TYR 172 Cb -0.07 -2.84 0.00 0.00 -0.40 0.00 0.00 41.96 38.65 1y13 s TYR 172 CO -0.08 -0.02 0.16 0.44 -1.57 0.00 0.00 175.55 174.48