#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xat h TYR 4 N 0.00 0.00 -3.64 1.20 3.20 -1.74 -3.41 116.97 112.58 2xat h TYR 4 Ca 0.00 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 61.20 2xat h TYR 4 Cb 0.00 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.09 2xat h TYR 4 CO 0.00 0.00 -0.72 -0.06 -1.64 0.00 0.00 178.16 175.74 2xat s PHE 5 N -4.43 2.84 -0.23 -3.82 0.08 -1.26 -5.03 117.98 106.13 2xat s PHE 5 Ca -0.05 -0.07 0.21 0.00 0.12 0.00 0.00 56.93 57.14 2xat s PHE 5 Cb 0.14 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 2xat s PHE 5 CO 0.47 0.36 1.09 1.05 -0.10 0.00 0.00 175.22 178.10 2xat h GLU 6 N 4.45 0.00 -2.48 0.44 9.09 -1.84 -3.48 114.58 120.75 2xat h GLU 6 Ca -0.48 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.85 2xat h GLU 6 Cb 1.17 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 28.08 2xat h GLU 6 CO 0.53 0.09 0.04 0.45 0.05 0.00 0.00 179.01 180.17 2xat s SER 7 N -5.62 -0.49 0.47 3.06 0.15 -1.26 -5.02 113.70 104.99 2xat s SER 7 Ca 0.00 0.40 0.31 0.00 0.70 0.00 0.00 55.95 57.37 2xat s SER 7 Cb 0.09 0.47 1.32 0.00 -1.71 0.00 0.00 66.02 66.19 2xat s SER 7 CO 0.78 -0.61 1.92 1.55 1.20 0.00 0.00 173.24 178.08 2xat h PRO 8 N 3.12 0.00 -0.65 5.44 0.13 -1.95 -3.03 132.00 135.06 2xat h PRO 8 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2xat h PRO 8 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2xat h PRO 8 CO 0.40 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.36 2xat n PHE 9 N -2.81 1.47 -3.20 1.56 3.72 -1.26 -4.80 117.46 112.13 2xat n PHE 9 Ca 0.01 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 2xat n PHE 9 Cb 0.26 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 2xat n PHE 9 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2xat s ARG 10 N -2.11 0.51 0.72 -1.08 1.81 -1.15 -5.16 118.95 112.49 2xat s ARG 10 Ca 0.43 0.66 -0.00 0.00 -1.72 0.00 0.00 55.73 55.11 2xat s ARG 10 Cb 0.30 0.17 0.13 0.00 -0.45 0.00 0.00 34.95 35.11 2xat s ARG 10 CO 0.17 -0.82 0.99 0.20 -0.68 0.00 0.00 175.30 175.16 2xat s GLY 11 N 2.75 1.76 0.06 -3.53 0.00 -1.26 -4.55 107.32 102.54 2xat s GLY 11 Ca 0.15 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.18 2xat s GLY 11 CO -0.23 -1.20 -0.23 0.54 0.00 0.00 0.00 173.10 171.98 2xat s LYS 12 N -5.12 1.49 0.62 2.90 1.02 -1.02 -4.93 119.74 114.70 2xat s LYS 12 Ca 0.66 -1.05 -0.17 0.00 0.02 0.00 0.00 55.97 55.42 2xat s LYS 12 Cb -0.05 -1.68 -0.09 0.00 -0.52 0.00 0.00 37.83 35.50 2xat s LYS 12 CO 0.44 0.42 0.33 1.28 -0.92 0.00 0.00 175.35 176.90 2xat n LEU 13 N 1.66 -0.42 -0.03 3.17 4.77 -1.26 -2.73 117.00 122.15 2xat n LEU 13 Ca -0.17 0.65 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 2xat n LEU 13 Cb 0.53 -1.10 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 2xat n LEU 13 CO 0.23 -3.56 0.40 -0.07 -1.33 0.00 0.00 177.39 173.06 2xat h LEU 14 N -0.05 0.58 -2.19 2.23 3.38 -1.69 -3.05 115.31 114.51 2xat h LEU 14 Ca -0.45 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 56.90 2xat h LEU 14 Cb 1.39 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2xat h LEU 14 CO 0.43 1.11 0.27 0.28 0.09 0.00 0.00 178.44 180.62 2xat h SER 15 N 0.09 0.00 -0.27 -0.43 0.02 -1.84 -0.72 113.55 110.40 2xat h SER 15 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2xat h SER 15 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2xat h SER 15 CO 0.09 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 173.94 2xat n GLU 16 N -2.96 2.16 0.00 3.45 -0.00 -1.15 -4.61 120.64 117.53 2xat n GLU 16 Ca -0.02 -2.00 0.00 0.00 -0.00 0.00 0.00 57.16 55.14 2xat n GLU 16 Cb 0.33 -1.42 0.00 0.00 -0.00 0.00 0.00 31.44 30.35 2xat n GLU 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2xat n GLN 17 N 1.18 4.48 -1.76 3.44 10.64 -0.44 -5.01 117.38 129.91 2xat n GLN 17 Ca 0.15 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.97 2xat n GLN 17 Cb 0.52 -0.61 0.06 0.00 -0.86 0.00 0.00 30.24 29.35 2xat n GLN 17 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2xat s VAL 18 N -0.48 2.50 0.00 -0.39 1.01 -0.41 -4.51 120.40 118.13 2xat s VAL 18 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2xat s VAL 18 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2xat s VAL 18 CO 0.00 -0.10 0.00 -0.24 0.00 0.00 0.00 175.10 174.76 2xat n SER 19 N -2.10 0.00 -4.72 3.32 2.88 -1.26 -5.00 113.62 106.74 2xat n SER 19 Ca 0.14 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.26 2xat n SER 19 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2xat n SER 19 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2xat s ASN 20 N -0.65 6.79 0.39 -3.46 3.84 -1.26 -4.87 114.94 115.72 2xat s ASN 20 Ca 0.00 2.39 0.27 0.00 0.21 0.00 0.00 52.86 55.74 2xat s ASN 20 Cb 0.00 -2.59 1.38 0.00 -0.55 0.00 0.00 41.25 39.49 2xat s ASN 20 CO 0.00 -0.67 1.83 -0.65 -2.79 0.00 0.00 177.10 174.82 2xat h PRO 21 N 6.57 0.00 -0.55 0.43 0.11 -1.92 -2.39 132.00 134.26 2xat h PRO 21 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2xat h PRO 21 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2xat h PRO 21 CO 0.86 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.74 2xat n ASN 22 N -2.47 3.00 -4.16 -2.05 3.02 -1.26 -4.72 115.26 106.62 2xat n ASN 22 Ca -0.01 -2.15 -0.35 0.00 -0.03 0.00 0.00 54.58 52.05 2xat n ASN 22 Cb 0.10 -0.40 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 2xat n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2xat s ILE 23 N -1.54 2.93 -0.43 2.41 1.01 -0.90 -1.71 121.20 122.97 2xat s ILE 23 Ca 0.34 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 2xat s ILE 23 Cb 0.20 -2.71 0.06 0.00 0.01 0.00 0.00 42.46 40.02 2xat s ILE 23 CO 0.20 -0.14 0.29 -0.13 0.00 0.00 0.00 174.94 175.16 2xat s ARG 24 N 1.23 2.79 0.11 2.79 1.81 -0.77 -4.89 118.95 122.01 2xat s ARG 24 Ca -0.05 -1.32 0.02 0.00 -1.72 0.00 0.00 55.73 52.67 2xat s ARG 24 Cb -0.20 -3.89 -0.04 0.00 -0.45 0.00 0.00 34.95 30.37 2xat s ARG 24 CO -0.02 -0.91 0.20 0.14 -0.68 0.00 0.00 175.30 174.03 2xat s VAL 25 N 1.53 5.07 0.64 3.52 -7.23 -1.26 -1.62 120.40 121.05 2xat s VAL 25 Ca 0.03 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 2xat s VAL 25 Cb -0.22 -3.53 0.10 0.00 0.56 0.00 0.00 36.38 33.28 2xat s VAL 25 CO 0.05 0.03 0.88 -0.83 -0.31 0.00 0.00 175.10 174.91 2xat s GLY 26 N -2.80 1.76 0.53 2.32 0.00 -0.66 -4.93 107.32 103.55 2xat s GLY 26 Ca 0.33 -1.86 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 2xat s GLY 26 CO 0.26 -1.38 1.16 1.09 0.00 0.00 0.00 173.10 174.23 2xat s ARG 27 N -4.89 3.38 0.00 2.90 1.70 -1.26 -3.47 118.95 117.31 2xat s ARG 27 Ca 0.63 1.70 0.00 0.00 -0.47 0.00 0.00 55.73 57.60 2xat s ARG 27 Cb -0.06 -2.09 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 2xat s ARG 27 CO 0.41 -0.85 0.00 0.66 -1.08 0.00 0.00 175.30 174.45 2xat n TYR 28 N -1.15 0.00 -1.70 5.89 4.01 -1.26 -1.31 117.16 121.64 2xat n TYR 28 Ca 0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 2xat n TYR 28 Cb 0.50 -0.46 0.01 0.00 -0.31 0.00 0.00 39.34 39.09 2xat n TYR 28 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2xat n SER 29 N 0.00 2.55 -3.96 7.72 7.64 -1.23 -4.63 113.62 121.72 2xat n SER 29 Ca 0.00 1.11 -0.10 0.00 1.01 0.00 0.00 58.87 60.88 2xat n SER 29 Cb 0.00 -1.50 -0.06 0.00 -1.01 0.00 0.00 64.21 61.64 2xat n SER 29 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2xat s TYR 30 N -1.20 0.62 -0.04 1.43 1.13 -0.58 -1.83 117.35 116.88 2xat s TYR 30 Ca 0.61 -0.94 -0.01 0.00 -1.41 0.00 0.00 57.07 55.32 2xat s TYR 30 Cb -0.51 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.38 2xat s TYR 30 CO 0.58 -0.93 0.08 -0.47 -2.51 0.00 0.00 175.55 172.30 2xat s TYR 31 N -3.93 -0.04 -0.53 -3.49 5.04 -1.11 -1.17 117.35 112.12 2xat s TYR 31 Ca 0.27 0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 55.19 2xat s TYR 31 Cb 0.01 -0.25 0.14 0.00 0.35 0.00 0.00 41.96 42.21 2xat s TYR 31 CO 0.11 -0.15 0.31 0.45 -1.34 0.00 0.00 175.55 174.93 2xat s SER 32 N 1.46 5.04 -0.49 4.32 0.15 -0.93 -2.43 113.70 120.82 2xat s SER 32 Ca -0.05 -2.61 0.05 0.00 0.70 0.00 0.00 55.95 54.04 2xat s SER 32 Cb -0.12 -1.79 0.39 0.00 -1.71 0.00 0.00 66.02 62.79 2xat s SER 32 CO -0.04 -0.39 1.06 0.61 1.20 0.00 0.00 173.24 175.67 2xat n GLY 33 N 3.77 5.86 0.27 9.45 0.00 -1.26 -2.04 105.19 121.23 2xat n GLY 33 Ca 0.04 -2.77 -0.01 0.00 0.00 0.00 0.00 46.02 43.28 2xat n GLY 33 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2xat h TYR 34 N 2.71 0.58 0.00 1.61 5.03 -1.91 -1.18 116.97 123.82 2xat h TYR 34 Ca 0.24 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2xat h TYR 34 Cb 0.78 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.90 2xat h TYR 34 CO 0.82 0.60 0.00 0.66 -1.32 0.00 0.00 178.16 178.93 2xat n TYR 35 N -4.24 0.00 -1.07 -3.82 4.01 -1.26 -2.63 117.16 108.16 2xat n TYR 35 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2xat n TYR 35 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2xat n TYR 35 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2xat n HIS 36 N -0.61 0.00 0.00 -0.72 8.25 -0.85 -4.94 115.22 116.35 2xat n HIS 36 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2xat n HIS 36 Cb 0.02 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2xat n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xat n GLY 37 N 0.00 0.00 3.89 -1.41 0.00 -0.50 -4.89 105.19 102.27 2xat n GLY 37 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2xat n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2xat s HIS 38 N 0.00 3.45 0.84 1.61 -3.43 -1.26 -1.87 115.29 114.64 2xat s HIS 38 Ca 0.00 0.78 -0.11 0.00 -0.80 0.00 0.00 55.06 54.93 2xat s HIS 38 Cb 0.00 -2.20 0.10 0.00 -1.43 0.00 0.00 32.58 29.05 2xat s HIS 38 CO 0.00 0.20 1.11 -1.54 -2.00 0.00 0.00 174.74 172.51 2xat s SER 39 N -2.79 3.75 0.47 7.38 1.04 -1.26 -4.84 113.70 117.46 2xat s SER 39 Ca 0.46 1.90 0.25 0.00 0.48 0.00 0.00 55.95 59.04 2xat s SER 39 Cb -0.11 -2.49 1.28 0.00 0.10 0.00 0.00 66.02 64.79 2xat s SER 39 CO 0.26 -2.53 1.85 0.15 0.98 0.00 0.00 173.24 173.95 2xat h PHE 40 N -1.47 0.32 -0.73 5.02 3.57 -1.95 -2.52 116.94 119.18 2xat h PHE 40 Ca -0.45 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.22 2xat h PHE 40 Cb 1.25 -0.09 -0.13 0.00 2.79 0.00 0.00 35.95 39.77 2xat h PHE 40 CO 0.53 0.06 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.15 2xat h ASP 41 N 0.22 -0.48 0.00 0.41 3.32 -1.91 0.30 116.42 118.28 2xat h ASP 41 Ca 0.49 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.74 2xat h ASP 41 Cb 1.53 0.38 0.00 0.00 0.22 0.00 0.00 39.33 41.47 2xat h ASP 41 CO -0.12 -0.20 0.00 0.47 -1.72 0.00 0.00 179.24 177.67 2xat n ASP 42 N -5.40 0.00 0.09 6.45 8.00 -0.95 -2.30 116.55 122.44 2xat n ASP 42 Ca 0.11 -0.59 -0.03 0.00 0.71 0.00 0.00 54.79 55.00 2xat n ASP 42 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 2xat n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2xat s ALA 44 N -2.83 3.09 0.19 0.00 0.00 -0.97 -1.11 121.76 120.13 2xat s ALA 44 Ca 0.02 -2.20 -0.30 0.00 0.00 0.00 0.00 51.96 49.48 2xat s ALA 44 Cb 0.09 -4.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.04 2xat s ALA 44 CO 0.79 -3.06 1.08 1.03 0.00 0.00 0.00 175.76 175.59 2xat s ARG 45 N 3.92 4.63 -1.64 0.00 0.52 -0.60 -3.63 118.95 122.16 2xat s ARG 45 Ca 0.32 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 57.22 2xat s ARG 45 Cb -0.09 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.11 2xat s ARG 45 CO 0.00 0.14 0.00 0.66 0.02 0.00 0.00 175.30 176.12 2xat n TYR 46 N 2.15 -0.27 -3.22 -0.53 4.01 -1.26 -1.51 117.16 116.53 2xat n TYR 46 Ca 0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 2xat n TYR 46 Cb 0.46 -3.03 -0.07 0.00 -0.31 0.00 0.00 39.34 36.39 2xat n TYR 46 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2xat s LEU 47 N -4.11 4.10 -0.25 7.72 2.96 -1.24 -4.00 118.68 123.87 2xat s LEU 47 Ca 0.00 0.62 -0.22 0.00 -0.22 0.00 0.00 54.13 54.31 2xat s LEU 47 Cb 0.00 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 2xat s LEU 47 CO 0.00 -0.24 0.73 -0.04 -1.32 0.00 0.00 176.35 175.48 2xat s MET 48 N 2.00 4.15 0.00 1.98 -1.94 -1.26 -4.91 119.30 119.32 2xat s MET 48 Ca 0.23 0.75 0.28 0.00 -1.71 0.00 0.00 55.69 55.25 2xat s MET 48 Cb -0.15 -3.64 1.14 0.00 2.01 0.00 0.00 34.83 34.18 2xat s MET 48 CO 0.09 -0.46 1.87 -0.35 -0.01 0.00 0.00 175.02 176.16 2xat n PRO 49 N 5.83 0.01 0.10 2.03 -0.04 -1.26 -3.70 135.00 137.98 2xat n PRO 49 Ca 0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2xat n PRO 49 Cb 0.48 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2xat n PRO 49 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2xat h ASP 50 N 0.00 0.00 -1.67 3.54 5.19 -2.03 -3.43 116.42 118.02 2xat h ASP 50 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 2xat h ASP 50 Cb 0.51 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.97 2xat h ASP 50 CO 0.00 0.25 -0.43 0.00 -3.12 0.00 0.00 179.24 175.94 2xat s ARG 51 N -3.15 2.53 0.00 3.56 1.70 -1.24 -5.01 118.95 117.34 2xat s ARG 51 Ca 0.00 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.76 2xat s ARG 51 Cb 0.08 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.13 2xat s ARG 51 CO 0.77 -0.06 0.43 -0.25 -1.08 0.00 0.00 175.30 175.12 2xat n ASP 52 N -1.41 0.81 -2.01 -2.89 8.00 -1.26 -4.66 116.55 113.13 2xat n ASP 52 Ca 0.01 -1.12 -0.13 0.00 0.71 0.00 0.00 54.79 54.26 2xat n ASP 52 Cb 0.61 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.94 2xat n ASP 52 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2xat n ASP 53 N -0.06 4.22 -4.39 -2.24 5.68 -1.26 -4.95 116.55 113.55 2xat n ASP 53 Ca 0.00 -3.27 -0.20 0.00 -0.50 0.00 0.00 54.79 50.82 2xat n ASP 53 Cb 0.12 -0.77 -0.10 0.00 -1.14 0.00 0.00 41.12 39.23 2xat n ASP 53 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2xat s VAL 54 N -2.89 1.89 0.37 2.12 -7.23 -1.26 -5.05 120.40 108.36 2xat s VAL 54 Ca 0.51 -2.24 -0.28 0.00 -1.81 0.00 0.00 61.98 58.16 2xat s VAL 54 Cb 0.42 -2.18 -0.11 0.00 0.56 0.00 0.00 36.38 35.07 2xat s VAL 54 CO 0.11 -0.49 1.43 -1.81 -0.31 0.00 0.00 175.10 174.03 2xat s ASP 55 N -3.39 6.42 0.18 4.85 1.01 -1.26 -4.96 116.67 119.52 2xat s ASP 55 Ca 0.26 2.93 0.08 0.00 0.71 0.00 0.00 52.55 56.53 2xat s ASP 55 Cb -0.01 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2xat s ASP 55 CO 0.10 -0.81 -0.05 -0.54 0.21 0.00 0.00 175.17 174.08 2xat s LYS 56 N -2.05 2.23 -0.37 8.23 3.01 -1.26 -4.89 119.74 124.64 2xat s LYS 56 Ca 0.52 -1.20 -0.17 0.00 -1.01 0.00 0.00 55.97 54.11 2xat s LYS 56 Cb -0.44 -2.25 0.00 0.00 -1.01 0.00 0.00 37.83 34.13 2xat s LYS 56 CO 0.60 0.44 0.44 -1.17 0.51 0.00 0.00 175.35 176.16 2xat s LEU 57 N -2.94 4.56 -0.19 3.17 2.96 -0.69 -1.64 118.68 123.90 2xat s LEU 57 Ca 0.26 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2xat s LEU 57 Cb -0.09 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 2xat s LEU 57 CO 0.17 -0.47 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.03 2xat s VAL 58 N 2.19 3.94 -0.13 1.68 1.01 0.03 -1.85 120.40 127.27 2xat s VAL 58 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2xat s VAL 58 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2xat s VAL 58 CO 0.13 0.44 -0.20 -0.63 0.00 0.00 0.00 175.10 174.83 2xat s ILE 59 N 0.93 1.91 0.00 2.22 1.01 -0.64 -0.02 121.20 126.60 2xat s ILE 59 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2xat s ILE 59 Cb -0.14 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.63 2xat s ILE 59 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2xat n GLY 60 N 4.05 -3.15 3.95 6.18 0.00 0.20 -1.65 105.19 114.76 2xat n GLY 60 Ca -0.20 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 2xat n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xat s SER 61 N -1.83 6.34 -1.67 1.61 1.04 -1.26 -2.98 113.70 114.95 2xat s SER 61 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2xat s SER 61 Cb 0.00 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.16 2xat s SER 61 CO 0.00 -0.11 0.00 0.49 0.98 0.00 0.00 173.24 174.60 2xat n PHE 62 N -1.18 -0.97 -3.13 5.02 3.72 -0.43 -0.02 117.46 120.48 2xat n PHE 62 Ca -0.06 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.99 2xat n PHE 62 Cb 0.55 -3.65 -0.06 0.00 -0.94 0.00 0.00 39.48 35.39 2xat n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2xat s SER 64 N -1.85 4.67 -0.30 0.00 0.01 -0.59 -1.53 113.70 114.11 2xat s SER 64 Ca 0.46 -2.19 -0.19 0.00 1.31 0.00 0.00 55.95 55.34 2xat s SER 64 Cb -0.15 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 2xat s SER 64 CO 0.20 -0.37 0.57 -0.63 0.41 0.00 0.00 173.24 173.42 2xat s ILE 65 N 0.86 4.99 0.57 1.44 1.01 -0.32 -1.81 121.20 127.93 2xat s ILE 65 Ca 0.11 0.74 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 2xat s ILE 65 Cb -0.19 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2xat s ILE 65 CO -0.09 -0.10 1.06 -0.83 0.00 0.00 0.00 174.94 174.98 2xat s GLY 66 N 1.65 2.23 0.30 6.18 0.00 0.07 -2.19 107.32 115.56 2xat s GLY 66 Ca 0.23 0.46 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 2xat s GLY 66 CO 0.11 0.78 0.82 -1.26 0.00 0.00 0.00 173.10 173.55 2xat n SER 67 N -1.76 0.35 0.00 1.64 2.88 -0.87 -2.25 113.62 113.61 2xat n SER 67 Ca 0.09 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2xat n SER 67 Cb 0.53 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2xat n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2xat n GLY 68 N 1.49 0.59 3.49 0.46 0.00 -1.26 0.52 105.19 110.47 2xat n GLY 68 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2xat n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xat n ALA 69 N 1.00 -1.52 -3.67 4.61 0.00 -0.95 -4.14 120.51 115.84 2xat n ALA 69 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2xat n ALA 69 Cb 0.01 -1.90 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 2xat n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xat s ALA 70 N -2.02 -0.99 -0.39 0.00 0.00 -0.16 -4.78 121.76 113.42 2xat s ALA 70 Ca 0.65 1.44 -0.05 0.00 0.00 0.00 0.00 51.96 54.00 2xat s ALA 70 Cb -0.31 -0.88 0.08 0.00 0.00 0.00 0.00 23.12 22.01 2xat s ALA 70 CO 0.59 -0.25 0.18 -0.06 0.00 0.00 0.00 175.76 176.21 2xat s PHE 71 N 1.30 3.41 -0.17 0.00 0.08 -0.27 -0.73 117.98 121.60 2xat s PHE 71 Ca -0.09 -1.93 -0.29 0.00 0.12 0.00 0.00 56.93 54.74 2xat s PHE 71 Cb -0.08 -2.84 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 2xat s PHE 71 CO -0.11 -0.88 1.52 0.42 -0.10 0.00 0.00 175.22 176.07 2xat s ILE 72 N 1.28 3.83 0.00 0.64 -1.09 -0.47 -1.55 121.20 123.84 2xat s ILE 72 Ca 0.03 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2xat s ILE 72 Cb -0.22 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 2xat s ILE 72 CO -0.01 -0.22 0.00 0.23 -1.23 0.00 0.00 174.94 173.71 2xat n MET 73 N 7.27 3.22 -2.77 2.79 2.81 -0.57 -2.86 117.12 127.01 2xat n MET 73 Ca 0.17 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.86 2xat n MET 73 Cb 0.45 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.98 2xat n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xat n ALA 74 N -3.00 -0.79 -0.15 3.04 0.00 -1.26 -4.77 120.51 113.58 2xat n ALA 74 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2xat n ALA 74 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.30 2xat n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xat n GLY 75 N -1.33 2.59 0.10 0.00 0.00 -1.26 -0.20 105.19 105.08 2xat n GLY 75 Ca -0.14 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2xat n GLY 75 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2xat n ASN 76 N 2.28 0.34 -1.95 1.61 6.94 -1.19 -4.88 115.26 118.42 2xat n ASN 76 Ca 0.00 -0.73 -0.20 0.00 -0.02 0.00 0.00 54.58 53.63 2xat n ASN 76 Cb 0.00 -0.08 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 2xat n ASN 76 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2xat n GLN 77 N -0.91 -1.57 -0.34 -3.83 6.02 0.72 -1.80 117.38 115.68 2xat n GLN 77 Ca 0.18 1.11 0.00 0.00 -0.01 0.00 0.00 57.00 58.28 2xat n GLN 77 Cb 0.22 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 25.87 2xat n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xat n GLY 78 N -0.65 1.33 3.79 1.08 0.00 -1.26 -4.92 105.19 104.56 2xat n GLY 78 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2xat n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xat s HIS 79 N -2.98 3.68 -0.30 1.61 3.76 -0.74 -4.24 115.29 116.08 2xat s HIS 79 Ca 0.00 1.04 0.01 0.00 -0.15 0.00 0.00 55.06 55.97 2xat s HIS 79 Cb 0.00 -2.44 0.09 0.00 1.11 0.00 0.00 32.58 31.34 2xat s HIS 79 CO 0.00 0.47 0.04 1.03 -0.85 0.00 0.00 174.74 175.42 2xat s ARG 80 N -0.50 1.24 0.58 1.40 1.81 -1.26 -4.85 118.95 117.36 2xat s ARG 80 Ca 0.26 -1.31 0.28 0.00 -1.72 0.00 0.00 55.73 53.24 2xat s ARG 80 Cb -0.17 -2.58 1.63 0.00 -0.45 0.00 0.00 34.95 33.39 2xat s ARG 80 CO 0.14 -0.85 2.12 0.00 -0.68 0.00 0.00 175.30 176.03 2xat h ALA 81 N 7.89 1.82 -0.10 2.13 0.00 -1.94 -2.28 119.26 126.78 2xat h ALA 81 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2xat h ALA 81 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2xat h ALA 81 CO 0.47 -0.25 0.00 -0.85 0.00 0.00 0.00 179.25 178.62 2xat n GLU 82 N -3.91 1.50 -3.22 0.00 0.00 -1.26 -4.85 120.64 108.90 2xat n GLU 82 Ca 0.01 -0.74 -0.18 0.00 0.00 0.00 0.00 57.16 56.25 2xat n GLU 82 Cb 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.35 2xat n GLU 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2xat s TRP 83 N -1.87 2.95 0.47 -1.84 0.52 -0.86 -4.98 118.94 113.33 2xat s TRP 83 Ca 0.32 -0.32 0.41 0.00 0.02 0.00 0.00 56.10 56.53 2xat s TRP 83 Cb 0.16 -2.20 2.11 0.00 -1.15 0.00 0.00 33.47 32.39 2xat s TRP 83 CO 0.26 -0.23 2.24 0.00 0.02 0.00 0.00 176.95 179.23 2xat h ALA 84 N 0.75 1.00 -2.95 0.98 0.00 -1.88 -3.41 119.26 113.75 2xat h ALA 84 Ca -0.43 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 2xat h ALA 84 Cb 1.27 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.75 2xat h ALA 84 CO 0.49 0.00 -0.51 0.45 0.00 0.00 0.00 179.25 179.67 2xat s SER 85 N -5.19 0.09 0.00 0.00 0.15 -1.26 -5.02 113.70 102.47 2xat s SER 85 Ca -0.03 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2xat s SER 85 Cb 0.12 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2xat s SER 85 CO 0.43 -0.21 0.96 0.35 1.20 0.00 0.00 173.24 175.97 2xat n THR 86 N 4.83 0.00 -2.79 6.45 -2.24 -1.26 -4.70 114.28 114.56 2xat n THR 86 Ca -0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 2xat n THR 86 Cb 0.51 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2xat n THR 86 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2xat s PHE 87 N -1.94 3.64 -0.97 4.78 5.36 -1.26 -4.53 117.98 123.06 2xat s PHE 87 Ca 0.00 1.59 -0.07 0.00 -0.96 0.00 0.00 56.93 57.49 2xat s PHE 87 Cb 0.00 -3.04 -0.10 0.00 -0.34 0.00 0.00 43.02 39.54 2xat s PHE 87 CO 0.00 0.02 2.57 -0.35 -1.46 0.00 0.00 175.22 176.00 2xat n PRO 88 N 3.85 2.53 -0.31 10.12 -0.04 -1.26 -4.72 135.00 145.17 2xat n PRO 88 Ca 0.04 -1.57 0.01 0.00 -0.04 0.00 0.00 63.50 61.94 2xat n PRO 88 Cb 0.51 -2.45 0.08 0.00 -0.04 0.00 0.00 33.50 31.60 2xat n PRO 88 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2xat h PHE 89 N 5.30 -0.69 -0.36 0.54 0.04 -1.92 0.51 116.94 120.36 2xat h PHE 89 Ca 0.55 0.08 0.10 0.00 2.80 0.00 0.00 57.97 61.51 2xat h PHE 89 Cb 0.41 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 2xat h PHE 89 CO 1.86 -0.38 0.36 1.25 -0.60 0.00 0.00 178.31 180.79 2xat h HIS 90 N -0.03 0.00 0.00 -0.55 2.76 -1.79 -1.10 115.15 114.44 2xat h HIS 90 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2xat h HIS 90 Cb 0.61 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2xat h HIS 90 CO -0.72 0.00 -0.76 0.74 -1.30 0.00 0.00 177.93 175.89 2xat h PHE 91 N 0.00 0.00 -0.65 5.26 -1.00 -0.33 -3.38 116.94 116.85 2xat h PHE 91 Ca 0.17 0.00 -0.73 0.00 2.81 0.00 0.00 57.97 60.22 2xat h PHE 91 Cb 0.88 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.36 2xat h PHE 91 CO 0.00 0.00 2.71 -1.33 -1.61 0.00 0.00 178.31 178.08 2xat n MET 92 N -2.51 3.41 0.04 1.51 2.81 -0.42 -4.72 117.12 117.25 2xat n MET 92 Ca 0.02 -3.00 0.03 0.00 -1.81 0.00 0.00 57.70 52.93 2xat n MET 92 Cb 0.51 -3.03 0.16 0.00 -0.71 0.00 0.00 33.22 30.15 2xat n MET 92 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2xat n HIS 93 N 4.53 0.19 0.72 2.03 -0.00 -1.26 -2.31 115.22 119.12 2xat n HIS 93 Ca 0.51 0.10 0.13 0.00 -0.00 0.00 0.00 57.72 58.45 2xat n HIS 93 Cb 0.35 -0.65 0.36 0.00 -0.00 0.00 0.00 29.99 30.04 2xat n HIS 93 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2xat n GLU 94 N -1.69 0.20 -3.74 -1.40 0.00 -1.26 -4.71 120.64 108.03 2xat n GLU 94 Ca -0.00 0.11 -0.37 0.00 0.00 0.00 0.00 57.16 56.90 2xat n GLU 94 Cb 0.02 -1.68 -0.12 0.00 0.00 0.00 0.00 31.44 29.65 2xat n GLU 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2xat s GLU 95 N -3.09 3.34 0.19 3.44 4.04 -0.98 -5.01 118.70 120.63 2xat s GLU 95 Ca 0.10 -0.70 -0.11 0.00 0.04 0.00 0.00 54.97 54.30 2xat s GLU 95 Cb 0.14 -3.38 0.18 0.00 0.02 0.00 0.00 34.13 31.10 2xat s GLU 95 CO 0.63 -0.35 1.79 -1.35 -1.84 0.00 0.00 175.26 174.15 2xat h PRO 96 N 8.26 0.54 -1.11 -4.83 0.10 -1.87 -2.62 132.00 130.48 2xat h PRO 96 Ca -0.34 -0.03 0.38 0.00 0.10 0.00 0.00 66.00 66.11 2xat h PRO 96 Cb 1.15 -0.12 -0.15 0.00 0.10 0.00 0.00 31.00 31.98 2xat h PRO 96 CO 0.60 0.36 0.66 0.00 0.10 0.00 0.00 178.00 179.72 2xat h ALA 97 N 1.31 2.28 -0.38 -0.75 0.00 -1.96 0.29 119.26 120.05 2xat h ALA 97 Ca 0.26 0.18 -0.25 0.00 0.00 0.00 0.00 54.91 55.10 2xat h ALA 97 Cb 0.17 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 2xat h ALA 97 CO -0.18 -0.94 0.32 1.19 0.00 0.00 0.00 179.25 179.64 2xat n PHE 98 N -4.98 1.23 -0.03 0.00 3.72 -0.99 -4.56 117.46 111.85 2xat n PHE 98 Ca 0.35 -1.62 -0.00 0.00 -0.05 0.00 0.00 57.45 56.13 2xat n PHE 98 Cb 1.21 -0.79 -0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2xat n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2xat h ALA 99 N 1.43 -0.03 0.00 4.37 0.00 -0.58 -3.32 119.26 121.13 2xat h ALA 99 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2xat h ALA 99 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2xat h ALA 99 CO 0.57 -0.03 0.01 0.41 0.00 0.00 0.00 179.25 180.21 2xat n GLY 100 N 1.71 -0.24 3.60 0.00 0.00 -1.26 -4.76 105.19 104.24 2xat n GLY 100 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2xat n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xat n ALA 101 N -1.23 -1.24 -2.24 4.61 0.00 -1.25 -4.94 120.51 114.22 2xat n ALA 101 Ca 0.00 0.51 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 2xat n ALA 101 Cb 0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 2xat n ALA 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xat s VAL 102 N 0.89 4.80 -0.49 0.00 1.01 -1.26 -4.60 120.40 120.75 2xat s VAL 102 Ca 0.88 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 2xat s VAL 102 Cb -1.02 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 31.70 2xat s VAL 102 CO 0.51 -0.33 1.20 0.21 0.00 0.00 0.00 175.10 176.69 2xat s ASN 103 N -2.78 6.54 0.00 3.32 3.84 -1.26 -4.43 114.94 120.17 2xat s ASN 103 Ca 0.51 0.44 0.09 0.00 0.21 0.00 0.00 52.86 54.11 2xat s ASN 103 Cb -0.10 -2.55 0.32 0.00 -0.55 0.00 0.00 41.25 38.37 2xat s ASN 103 CO 0.26 -1.34 1.24 0.61 -2.79 0.00 0.00 177.10 175.08 2xat n GLY 104 N 4.94 0.01 3.77 1.21 0.00 -1.26 -4.91 105.19 108.95 2xat n GLY 104 Ca 0.12 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2xat n GLY 104 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2xat s TYR 105 N -1.73 2.99 -0.26 1.61 5.04 -1.26 -4.47 117.35 119.27 2xat s TYR 105 Ca 0.18 1.44 -0.12 0.00 -2.44 0.00 0.00 57.07 56.13 2xat s TYR 105 Cb 0.09 -3.62 0.09 0.00 0.35 0.00 0.00 41.96 38.87 2xat s TYR 105 CO 0.13 -1.81 0.61 1.14 -1.34 0.00 0.00 175.55 174.27 2xat s GLN 106 N -2.00 0.58 0.82 4.97 -2.07 -1.26 -4.90 119.66 115.80 2xat s GLN 106 Ca 0.52 1.21 -0.14 0.00 -1.82 0.00 0.00 55.36 55.14 2xat s GLN 106 Cb -0.38 0.36 0.04 0.00 -1.09 0.00 0.00 33.01 31.94 2xat s GLN 106 CO 0.49 -0.18 0.86 -0.35 -1.32 0.00 0.00 175.29 174.79 2xat n PRO 107 N 4.77 0.10 0.00 9.60 -0.04 -1.26 -3.15 135.00 145.02 2xat n PRO 107 Ca -0.17 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2xat n PRO 107 Cb 0.54 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2xat n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2xat n ALA 108 N -3.14 1.99 0.00 0.55 0.00 -1.26 -4.89 120.51 113.77 2xat n ALA 108 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2xat n ALA 108 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2xat n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xat n GLY 109 N 0.44 2.05 3.56 0.00 0.00 -1.26 -4.47 105.19 105.52 2xat n GLY 109 Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2xat n GLY 109 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xat n ASP 110 N -0.05 0.67 -4.68 1.61 8.00 -1.26 -3.76 116.55 117.09 2xat n ASP 110 Ca 0.00 1.02 -0.38 0.00 0.71 0.00 0.00 54.79 56.14 2xat n ASP 110 Cb 0.00 -1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 39.75 2xat n ASP 110 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2xat s THR 111 N -1.29 5.20 -0.14 -3.53 2.01 -0.65 -4.60 115.64 112.64 2xat s THR 111 Ca 0.63 0.71 0.02 0.00 0.31 0.00 0.00 61.69 63.36 2xat s THR 111 Cb -0.59 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2xat s THR 111 CO 0.57 0.26 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.81 2xat s LEU 112 N 1.22 2.28 -0.29 4.42 1.43 -1.03 -0.79 118.68 125.92 2xat s LEU 112 Ca 0.19 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2xat s LEU 112 Cb -0.15 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2xat s LEU 112 CO 0.08 0.10 0.01 -0.63 0.23 0.00 0.00 176.35 176.14 2xat s ILE 113 N 0.72 3.23 0.16 -0.59 -1.09 0.97 0.08 121.20 124.68 2xat s ILE 113 Ca -0.08 -1.13 -0.03 0.00 -2.23 0.00 0.00 60.65 57.19 2xat s ILE 113 Cb -0.16 -2.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.01 2xat s ILE 113 CO 0.01 0.01 0.09 0.61 -1.23 0.00 0.00 174.94 174.42 2xat n GLY 114 N 4.70 -3.52 3.85 6.18 0.00 0.10 0.59 105.19 117.08 2xat n GLY 114 Ca -0.14 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2xat n GLY 114 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xat s HIS 115 N -1.07 3.47 -1.41 1.61 3.76 -1.26 -3.15 115.29 117.24 2xat s HIS 115 Ca 0.07 1.45 -0.00 0.00 -0.15 0.00 0.00 55.06 56.43 2xat s HIS 115 Cb -0.01 -2.79 0.00 0.00 1.11 0.00 0.00 32.58 30.89 2xat s HIS 115 CO 0.06 -0.41 0.38 -1.91 -0.85 0.00 0.00 174.74 172.01 2xat n GLU 116 N -1.71 -3.05 -3.87 1.40 2.13 0.97 -0.52 120.64 115.98 2xat n GLU 116 Ca 0.07 0.38 -0.35 0.00 0.66 0.00 0.00 57.16 57.91 2xat n GLU 116 Cb 0.54 -4.43 -0.09 0.00 0.27 0.00 0.00 31.44 27.73 2xat n GLU 116 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2xat s VAL 117 N -3.99 5.05 -0.42 6.31 1.01 -1.26 -2.58 120.40 124.52 2xat s VAL 117 Ca 0.01 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2xat s VAL 117 Cb -0.00 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.15 2xat s VAL 117 CO 0.90 0.44 0.27 0.86 0.00 0.00 0.00 175.10 177.57 2xat s TRP 118 N 0.44 3.31 -0.21 5.22 -0.00 -1.07 -1.54 118.94 125.09 2xat s TRP 118 Ca 0.05 -1.33 -0.11 0.00 -0.00 0.00 0.00 56.10 54.71 2xat s TRP 118 Cb -0.12 -2.89 -0.05 0.00 -0.00 0.00 0.00 33.47 30.41 2xat s TRP 118 CO -0.00 -0.80 0.19 0.42 -0.00 0.00 0.00 176.95 176.75 2xat s ILE 119 N 1.48 5.36 0.50 5.86 1.01 -0.75 -0.47 121.20 134.19 2xat s ILE 119 Ca 0.03 0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.77 2xat s ILE 119 Cb -0.22 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 2xat s ILE 119 CO 0.04 0.39 1.04 -0.83 0.00 0.00 0.00 174.94 175.57 2xat s GLY 120 N 0.66 2.46 0.26 6.18 0.00 0.48 -0.75 107.32 116.61 2xat s GLY 120 Ca 0.10 0.58 -0.28 0.00 0.00 0.00 0.00 44.72 45.12 2xat s GLY 120 CO 0.02 0.89 0.78 -0.37 0.00 0.00 0.00 173.10 174.42 2xat n THR 121 N -1.07 1.99 -1.82 0.90 5.66 -1.26 -1.89 114.28 116.79 2xat n THR 121 Ca 0.09 -0.50 -0.19 0.00 -3.05 0.00 0.00 64.05 60.40 2xat n THR 121 Cb 0.53 -0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 68.70 2xat n THR 121 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2xat n GLU 122 N 0.84 -1.53 -2.43 1.09 1.02 0.18 -2.26 120.64 117.56 2xat n GLU 122 Ca 0.13 1.08 -0.33 0.00 -0.02 0.00 0.00 57.16 58.02 2xat n GLU 122 Cb 0.29 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 26.16 2xat n GLU 122 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xat s ALA 123 N -2.73 2.90 -0.08 0.62 0.00 -0.79 -3.70 121.76 117.99 2xat s ALA 123 Ca 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 2xat s ALA 123 Cb 0.00 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.94 2xat s ALA 123 CO 0.00 -0.36 -0.04 1.41 0.00 0.00 0.00 175.76 176.77 2xat s MET 124 N -3.62 1.04 -0.18 0.00 0.00 -0.64 -0.99 119.30 114.90 2xat s MET 124 Ca 0.64 -0.10 -0.09 0.00 0.00 0.00 0.00 55.69 56.14 2xat s MET 124 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 34.83 33.49 2xat s MET 124 CO 0.26 -0.21 0.11 -0.06 0.00 0.00 0.00 175.02 175.12 2xat s PHE 125 N 1.51 3.41 0.93 4.11 0.40 0.09 -1.51 117.98 126.92 2xat s PHE 125 Ca -0.01 0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.51 2xat s PHE 125 Cb -0.13 -2.09 0.15 0.00 0.51 0.00 0.00 43.02 41.46 2xat s PHE 125 CO -0.04 0.36 1.13 -1.64 0.70 0.00 0.00 175.22 175.73 2xat s MET 126 N 0.03 1.02 0.51 0.44 -1.94 -0.57 -1.37 119.30 117.41 2xat s MET 126 Ca 0.09 0.31 -0.22 0.00 -1.71 0.00 0.00 55.69 54.16 2xat s MET 126 Cb -0.11 -1.82 -0.06 0.00 2.01 0.00 0.00 34.83 34.84 2xat s MET 126 CO -0.00 -2.29 1.20 -2.14 -0.01 0.00 0.00 175.02 171.78 2xat s PRO 127 N -5.24 3.48 0.00 2.03 0.02 -1.13 -3.56 135.00 130.59 2xat s PRO 127 Ca 0.64 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2xat s PRO 127 Cb -0.15 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.12 2xat s PRO 127 CO 0.54 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 2xat n GLY 128 N 0.45 1.11 3.79 0.52 0.00 -1.25 -5.01 105.19 104.81 2xat n GLY 128 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2xat n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2xat s VAL 129 N -2.77 3.63 -0.17 1.61 -7.23 -1.23 -4.80 120.40 109.43 2xat s VAL 129 Ca 0.00 0.71 -0.00 0.00 -1.81 0.00 0.00 61.98 60.88 2xat s VAL 129 Cb 0.00 -3.26 0.04 0.00 0.56 0.00 0.00 36.38 33.72 2xat s VAL 129 CO 0.00 -0.52 -0.06 0.00 -0.31 0.00 0.00 175.10 174.21 2xat s ARG 130 N -4.29 1.54 -0.22 4.82 3.03 -1.26 -2.46 118.95 120.10 2xat s ARG 130 Ca 0.64 -0.56 -0.15 0.00 2.03 0.00 0.00 55.73 57.68 2xat s ARG 130 Cb -0.17 -2.06 -0.04 0.00 -1.03 0.00 0.00 34.95 31.65 2xat s ARG 130 CO 0.43 -0.43 0.37 0.08 -1.13 0.00 0.00 175.30 174.62 2xat s VAL 131 N 1.60 5.20 0.83 4.99 1.01 0.11 -1.72 120.40 132.43 2xat s VAL 131 Ca 0.01 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 2xat s VAL 131 Cb -0.15 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.61 2xat s VAL 131 CO -0.08 0.23 1.09 -0.83 0.00 0.00 0.00 175.10 175.51 2xat s GLY 132 N 1.21 1.63 0.53 4.51 0.00 -0.91 0.00 107.32 114.30 2xat s GLY 132 Ca 0.17 -0.05 -0.21 0.00 0.00 0.00 0.00 44.72 44.63 2xat s GLY 132 CO 0.08 0.38 1.08 1.42 0.00 0.00 0.00 173.10 176.06 2xat n HIS 133 N -3.62 1.31 0.00 1.90 8.25 -1.26 -2.54 115.22 119.26 2xat n HIS 133 Ca 0.07 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 2xat n HIS 133 Cb 0.55 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.44 2xat n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xat n GLY 134 N 1.12 0.89 3.34 -1.41 0.00 0.32 -0.05 105.19 109.39 2xat n GLY 134 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2xat n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xat n ALA 135 N 0.70 -2.89 -3.53 4.61 0.00 -1.05 -4.34 120.51 114.01 2xat n ALA 135 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 2xat n ALA 135 Cb 0.00 -1.66 -0.17 0.00 0.00 0.00 0.00 19.45 17.63 2xat n ALA 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2xat s ILE 136 N -2.14 1.50 -0.32 0.00 1.01 0.19 -2.60 121.20 118.84 2xat s ILE 136 Ca 0.56 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2xat s ILE 136 Cb -0.26 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 40.86 2xat s ILE 136 CO 0.68 0.44 0.15 -0.63 0.00 0.00 0.00 174.94 175.57 2xat s ILE 137 N 0.80 4.42 0.79 2.92 -1.09 0.38 -1.43 121.20 127.99 2xat s ILE 137 Ca -0.11 -0.61 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 2xat s ILE 137 Cb -0.16 -3.31 0.05 0.00 -1.58 0.00 0.00 42.46 37.46 2xat s ILE 137 CO 0.02 -0.00 1.00 0.61 -1.23 0.00 0.00 174.94 175.33 2xat n GLY 138 N 4.95 -0.46 3.77 6.18 0.00 0.12 -0.38 105.19 119.37 2xat n GLY 138 Ca -0.13 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2xat n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xat s SER 139 N -1.93 6.32 0.00 1.61 0.01 -1.26 -1.94 113.70 116.50 2xat s SER 139 Ca 0.71 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.82 2xat s SER 139 Cb -0.30 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.27 2xat s SER 139 CO 0.53 -0.87 0.00 0.54 0.41 0.00 0.00 173.24 173.85 2xat n ARG 140 N 0.30 -0.20 -1.86 12.44 5.12 -0.96 -4.75 116.66 126.75 2xat n ARG 140 Ca 0.02 0.05 -0.41 0.00 -1.93 0.00 0.00 57.85 55.58 2xat n ARG 140 Cb 0.41 -3.97 -0.02 0.00 -1.16 0.00 0.00 32.46 27.72 2xat n ARG 140 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2xat s ALA 141 N -1.81 3.72 -0.46 7.54 0.00 -0.82 -4.72 121.76 125.21 2xat s ALA 141 Ca 0.00 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 2xat s ALA 141 Cb 0.00 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.60 2xat s ALA 141 CO 0.00 -0.89 0.33 -1.17 0.00 0.00 0.00 175.76 174.04 2xat s LEU 142 N -0.25 5.50 -0.51 0.00 2.96 -0.55 -1.63 118.68 124.20 2xat s LEU 142 Ca 0.63 -1.64 -0.29 0.00 -0.22 0.00 0.00 54.13 52.62 2xat s LEU 142 Cb -0.46 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.22 2xat s LEU 142 CO 0.44 -0.64 1.17 -0.69 -1.32 0.00 0.00 176.35 175.32 2xat s VAL 143 N 1.45 4.12 -2.77 1.68 1.01 -0.57 -0.51 120.40 124.81 2xat s VAL 143 Ca 0.04 1.10 0.25 0.00 0.00 0.00 0.00 61.98 63.36 2xat s VAL 143 Cb -0.25 -4.63 0.32 0.00 0.00 0.00 0.00 36.38 31.82 2xat s VAL 143 CO 0.02 -1.12 1.40 0.35 0.00 0.00 0.00 175.10 175.76 2xat n THR 144 N 6.81 0.09 -3.22 3.92 -2.24 -1.26 -1.52 114.28 116.86 2xat n THR 144 Ca 0.11 -0.48 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2xat n THR 144 Cb 0.49 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2xat n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xat n GLY 145 N 1.33 1.64 3.76 3.38 0.00 -1.26 -4.95 105.19 109.08 2xat n GLY 145 Ca 0.16 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2xat n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2xat s ASP 146 N -1.01 5.39 0.06 1.61 1.01 -1.26 -4.42 116.67 118.04 2xat s ASP 146 Ca 0.00 2.29 0.09 0.00 0.71 0.00 0.00 52.55 55.65 2xat s ASP 146 Cb -0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2xat s ASP 146 CO 0.00 -1.45 -0.26 -0.69 0.21 0.00 0.00 175.17 172.98 2xat s VAL 147 N -1.69 2.08 0.34 -1.27 1.01 -0.70 -4.95 120.40 115.22 2xat s VAL 147 Ca 0.75 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2xat s VAL 147 Cb -0.27 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 2xat s VAL 147 CO 0.31 0.30 0.79 -1.61 0.00 0.00 0.00 175.10 174.89 2xat s GLU 148 N -1.35 4.09 0.24 2.72 2.02 -1.26 -2.15 118.70 123.01 2xat s GLU 148 Ca 0.11 0.81 -0.31 0.00 0.02 0.00 0.00 54.97 55.60 2xat s GLU 148 Cb -0.10 -2.40 -0.13 0.00 0.10 0.00 0.00 34.13 31.60 2xat s GLU 148 CO 0.03 0.12 1.41 -2.30 0.02 0.00 0.00 175.26 174.54 2xat n PRO 149 N -0.36 2.05 -1.04 0.39 -0.02 -1.26 -0.73 135.00 134.02 2xat n PRO 149 Ca 0.04 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.23 2xat n PRO 149 Cb 0.53 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2xat n PRO 149 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2xat n TYR 150 N 1.90 0.00 -2.96 6.00 4.01 0.93 -4.83 117.16 122.21 2xat n TYR 150 Ca 0.11 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.53 2xat n TYR 150 Cb 0.32 -1.30 -0.06 0.00 -0.31 0.00 0.00 39.34 37.98 2xat n TYR 150 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2xat s ALA 151 N -1.55 3.23 -0.28 -0.72 0.00 0.09 0.77 121.76 123.31 2xat s ALA 151 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 2xat s ALA 151 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.27 2xat s ALA 151 CO 0.00 0.19 -0.01 0.42 0.00 0.00 0.00 175.76 176.36 2xat s ILE 152 N -2.14 3.09 0.25 0.00 1.01 0.13 -0.64 121.20 122.90 2xat s ILE 152 Ca 0.56 -1.12 0.10 0.00 0.00 0.00 0.00 60.65 60.19 2xat s ILE 152 Cb -0.10 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2xat s ILE 152 CO 0.19 0.06 -0.07 0.68 0.00 0.00 0.00 174.94 175.80 2xat s VAL 153 N 1.32 3.16 -0.22 2.92 -7.23 -0.51 0.22 120.40 120.07 2xat s VAL 153 Ca -0.02 -1.96 -0.32 0.00 -1.81 0.00 0.00 61.98 57.88 2xat s VAL 153 Cb -0.18 -2.65 0.16 0.00 0.56 0.00 0.00 36.38 34.26 2xat s VAL 153 CO -0.02 -0.31 1.21 -0.83 -0.31 0.00 0.00 175.10 174.84 2xat s GLY 154 N -3.42 -0.14 0.00 2.32 0.00 0.07 0.11 107.32 106.25 2xat s GLY 154 Ca 0.29 2.18 0.00 0.00 0.00 0.00 0.00 44.72 47.19 2xat s GLY 154 CO 0.18 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.76 2xat n GLY 155 N 0.34 2.45 2.99 0.20 0.00 -1.26 -1.42 105.19 108.49 2xat n GLY 155 Ca -0.02 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 2xat n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xat s ASN 156 N 0.00 4.63 0.53 1.61 3.84 -1.26 0.69 114.94 124.98 2xat s ASN 156 Ca 0.00 -2.36 -0.18 0.00 0.21 0.00 0.00 52.86 50.54 2xat s ASN 156 Cb 0.00 -1.61 -0.07 0.00 -0.55 0.00 0.00 41.25 39.03 2xat s ASN 156 CO 0.00 -0.34 1.02 -2.84 -2.79 0.00 0.00 177.10 172.15 2xat s PRO 157 N 0.63 3.69 0.27 0.43 0.02 -1.26 -5.02 135.00 133.76 2xat s PRO 157 Ca 0.12 1.18 -0.30 0.00 0.02 0.00 0.00 61.00 62.03 2xat s PRO 157 Cb -0.21 -2.09 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 2xat s PRO 157 CO -0.06 -0.50 1.47 0.00 -0.33 0.00 0.00 177.00 177.58 2xat s ALA 158 N -2.34 3.64 0.20 -1.55 0.00 0.22 -4.87 121.76 117.07 2xat s ALA 158 Ca 0.63 1.40 0.10 0.00 0.00 0.00 0.00 51.96 54.09 2xat s ALA 158 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2xat s ALA 158 CO 0.29 -0.81 -0.20 1.03 0.00 0.00 0.00 175.76 176.06 2xat s ARG 159 N -0.60 1.43 -0.12 0.00 1.81 -0.51 -4.80 118.95 116.17 2xat s ARG 159 Ca 0.59 -1.53 -0.26 0.00 -1.72 0.00 0.00 55.73 52.81 2xat s ARG 159 Cb -0.43 -1.55 -0.02 0.00 -0.45 0.00 0.00 34.95 32.49 2xat s ARG 159 CO 0.46 0.31 0.84 0.99 -0.68 0.00 0.00 175.30 177.22 2xat s THR 160 N -2.12 4.91 -0.06 0.02 2.01 -1.26 -0.75 115.64 118.38 2xat s THR 160 Ca 0.21 1.69 0.10 0.00 0.31 0.00 0.00 61.69 64.00 2xat s THR 160 Cb -0.06 -4.16 -0.23 0.00 0.01 0.00 0.00 72.50 68.06 2xat s THR 160 CO 0.09 0.09 0.60 -0.38 -0.69 0.00 0.00 174.62 174.33 2xat n ILE 161 N 4.39 1.62 0.00 1.82 5.41 0.60 -4.95 119.36 128.25 2xat n ILE 161 Ca 0.04 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 63.01 2xat n ILE 161 Cb 0.50 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 2xat n ILE 161 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2xat n ARG 162 N -3.09 -1.01 -4.04 0.38 1.85 -1.22 -5.01 116.66 104.53 2xat n ARG 162 Ca -0.20 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.35 2xat n ARG 162 Cb 1.06 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.40 2xat n ARG 162 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2xat s LYS 163 N -2.00 2.94 0.18 2.89 1.02 -1.26 0.19 119.74 123.70 2xat s LYS 163 Ca 0.00 -0.66 -0.12 0.00 0.02 0.00 0.00 55.97 55.21 2xat s LYS 163 Cb 0.00 -2.76 0.09 0.00 -0.52 0.00 0.00 37.83 34.64 2xat s LYS 163 CO 0.00 0.57 1.80 0.00 -0.92 0.00 0.00 175.35 176.80 2xat h ARG 164 N 3.28 0.86 0.00 1.68 3.08 0.02 -3.47 114.38 119.83 2xat h ARG 164 Ca -0.46 -0.10 -0.44 0.00 0.07 0.00 0.00 59.98 59.05 2xat h ARG 164 Cb 1.16 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.95 2xat h ARG 164 CO 0.67 0.65 -0.36 1.19 -1.07 0.00 0.00 179.97 181.04 2xat n PHE 165 N -4.56 0.17 -2.18 3.04 3.72 -1.26 -5.14 117.46 111.25 2xat n PHE 165 Ca 0.04 -2.04 -0.34 0.00 -0.05 0.00 0.00 57.45 55.06 2xat n PHE 165 Cb 0.09 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2xat n PHE 165 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2xat s SER 166 N -2.98 5.75 0.25 4.37 1.04 -1.26 -4.76 113.70 116.11 2xat s SER 166 Ca 0.15 2.01 -0.04 0.00 0.48 0.00 0.00 55.95 58.55 2xat s SER 166 Cb 0.01 -2.56 0.47 0.00 0.10 0.00 0.00 66.02 64.04 2xat s SER 166 CO 0.11 -1.19 1.71 0.44 0.98 0.00 0.00 173.24 175.29 2xat h ASP 167 N 0.89 0.17 -0.22 7.02 3.32 -1.99 0.46 116.42 126.06 2xat h ASP 167 Ca -0.49 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 2xat h ASP 167 Cb 1.24 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 2xat h ASP 167 CO 0.57 0.04 0.08 1.23 -1.72 0.00 0.00 179.24 179.43 2xat h GLY 168 N 0.36 0.36 0.62 2.75 0.00 -1.99 -0.62 103.07 104.55 2xat h GLY 168 Ca 0.42 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.59 2xat h GLY 168 CO -0.45 0.19 0.13 -0.55 0.00 0.00 0.00 176.54 175.86 2xat h ASP 169 N 0.19 0.12 0.13 0.19 3.32 -1.39 -1.31 116.42 117.67 2xat h ASP 169 Ca 0.07 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.19 2xat h ASP 169 Cb 0.21 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2xat h ASP 169 CO -0.00 0.10 -0.37 0.40 -1.72 0.00 0.00 179.24 177.65 2xat h ILE 170 N 0.28 0.23 -1.01 0.35 2.04 0.06 0.62 117.51 120.08 2xat h ILE 170 Ca 0.19 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.29 2xat h ILE 170 Cb 0.18 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 36.38 2xat h ILE 170 CO -0.20 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.12 2xat h GLN 171 N -0.61 0.53 -0.26 2.37 4.20 -0.44 0.18 115.11 121.09 2xat h GLN 171 Ca 0.02 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2xat h GLN 171 Cb 0.63 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2xat h GLN 171 CO -0.21 0.35 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.23 2xat h ASN 172 N 0.55 0.60 -0.92 1.46 2.35 -0.08 -2.20 115.58 117.34 2xat h ASN 172 Ca 0.63 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2xat h ASN 172 Cb 1.27 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 2xat h ASN 172 CO -0.42 0.90 0.61 -0.07 -1.65 0.00 0.00 177.43 176.80 2xat h LEU 173 N 0.30 1.02 -0.84 1.61 3.38 0.14 -1.48 115.31 119.44 2xat h LEU 173 Ca 0.05 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2xat h LEU 173 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2xat h LEU 173 CO 0.05 0.72 -0.54 -0.07 0.09 0.00 0.00 178.44 178.69 2xat h LEU 174 N 1.20 0.11 -0.41 1.67 3.38 -0.70 -2.75 115.31 117.81 2xat h LEU 174 Ca 0.35 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2xat h LEU 174 Cb -0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2xat h LEU 174 CO -0.09 0.63 -0.23 -0.33 0.09 0.00 0.00 178.44 178.51 2xat h GLU 175 N 0.08 0.88 -0.01 1.13 5.08 -0.64 -3.20 114.58 117.90 2xat h GLU 175 Ca -0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2xat h GLU 175 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2xat h GLU 175 CO 0.08 1.05 -0.16 0.00 -1.00 0.00 0.00 179.01 178.97 2xat n MET 176 N -4.19 1.26 -2.72 2.33 0.00 -0.89 -4.97 117.12 107.94 2xat n MET 176 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 57.70 56.89 2xat n MET 176 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.19 2xat n MET 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2xat n ALA 177 N -0.18 -1.01 0.06 3.17 0.00 -1.04 -4.68 120.51 116.84 2xat n ALA 177 Ca 0.15 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.62 2xat n ALA 177 Cb 0.37 -0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.02 2xat n ALA 177 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2xat n TRP 178 N -0.59 0.25 1.47 0.00 4.27 -1.26 -1.01 117.44 120.57 2xat n TRP 178 Ca -0.00 0.13 0.15 0.00 -3.89 0.00 0.00 57.50 53.89 2xat n TRP 178 Cb 0.00 -0.66 0.77 0.00 -1.36 0.00 0.00 31.31 30.06 2xat n TRP 178 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 2xat n TRP 179 N -1.74 0.00 0.46 -2.67 2.14 -1.26 -2.33 117.44 112.04 2xat n TRP 179 Ca -0.00 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.62 2xat n TRP 179 Cb 0.07 -0.25 0.05 0.00 -0.81 0.00 0.00 31.31 30.37 2xat n TRP 179 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 2xat n ASP 180 N -1.25 1.92 -4.77 -0.67 8.00 -0.18 -4.97 116.55 114.63 2xat n ASP 180 Ca 0.15 -1.46 -0.37 0.00 0.71 0.00 0.00 54.79 53.83 2xat n ASP 180 Cb 0.22 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.33 2xat n ASP 180 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2xat s TRP 181 N -0.93 2.69 0.34 1.24 0.51 -0.98 -4.95 118.94 116.84 2xat s TRP 181 Ca 0.13 1.51 -0.29 0.00 -2.12 0.00 0.00 56.10 55.33 2xat s TRP 181 Cb 0.09 -3.44 -0.11 0.00 -0.81 0.00 0.00 33.47 29.21 2xat s TRP 181 CO 0.14 -1.81 1.43 -2.14 -0.51 0.00 0.00 176.95 174.06 2xat s PRO 182 N -2.93 4.21 0.37 4.98 0.02 -1.26 -4.78 135.00 135.61 2xat s PRO 182 Ca 0.68 2.42 0.18 0.00 0.02 0.00 0.00 61.00 64.31 2xat s PRO 182 Cb -0.30 -3.02 1.16 0.00 0.02 0.00 0.00 34.50 32.36 2xat s PRO 182 CO 0.35 -0.42 1.67 1.25 -0.33 0.00 0.00 177.00 179.52 2xat h LEU 183 N 3.56 0.46 -0.73 -5.54 5.85 -1.97 0.11 115.31 117.05 2xat h LEU 183 Ca -0.49 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2xat h LEU 183 Cb 1.23 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 2xat h LEU 183 CO 0.68 -0.13 0.43 0.00 -0.34 0.00 0.00 178.44 179.07 2xat h ALA 184 N 1.79 1.00 -0.06 1.25 0.00 -2.00 -0.42 119.26 120.82 2xat h ALA 184 Ca 0.74 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.53 2xat h ALA 184 Cb 1.83 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2xat h ALA 184 CO -0.55 0.12 -0.55 -0.44 0.00 0.00 0.00 179.25 177.84 2xat h ASP 185 N 0.78 0.20 -0.17 0.00 5.19 -1.14 -2.08 116.42 119.19 2xat h ASP 185 Ca 0.33 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 2xat h ASP 185 Cb 0.19 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2xat h ASP 185 CO -0.18 0.71 0.07 0.40 -3.12 0.00 0.00 179.24 177.12 2xat h ILE 186 N 0.14 1.16 -0.16 0.35 2.04 -0.65 -0.67 117.51 119.72 2xat h ILE 186 Ca 0.00 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2xat h ILE 186 Cb 1.01 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2xat h ILE 186 CO 0.08 0.15 -0.07 -0.08 0.00 0.00 0.00 178.15 178.24 2xat h GLU 187 N 0.12 0.24 0.13 2.37 4.81 -1.01 -0.97 114.58 120.28 2xat h GLU 187 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2xat h GLU 187 Cb 0.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2xat h GLU 187 CO -0.00 0.33 -0.06 0.00 -0.73 0.00 0.00 179.01 178.54 2xat h ALA 188 N 1.70 -0.18 -0.00 2.92 0.00 -0.74 -3.04 119.26 119.93 2xat h ALA 188 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2xat h ALA 188 Cb 0.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2xat h ALA 188 CO 0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 179.25 178.79 2xat n ALA 189 N -2.32 2.62 -0.35 0.00 0.00 -0.32 -4.36 120.51 115.78 2xat n ALA 189 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.18 2xat n ALA 189 Cb 0.20 -1.49 0.08 0.00 0.00 0.00 0.00 19.45 18.23 2xat n ALA 189 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2xat h MET 190 N 0.08 -0.01 -0.70 0.00 -1.53 -1.05 0.27 114.93 112.00 2xat h MET 190 Ca 0.00 0.00 0.16 0.00 -3.44 0.00 0.00 59.70 56.42 2xat h MET 190 Cb 0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 2xat h MET 190 CO 0.00 -0.01 0.48 -1.35 0.14 0.00 0.00 176.91 176.17 2xat h PRO 191 N -0.01 0.28 0.00 0.39 0.11 -1.82 0.46 132.00 131.41 2xat h PRO 191 Ca 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2xat h PRO 191 Cb 0.64 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2xat h PRO 191 CO -0.97 0.18 -0.52 -0.07 -0.21 0.00 0.00 178.00 176.41 2xat h LEU 192 N 0.29 0.00 -0.20 2.35 3.38 -0.82 -3.20 115.31 117.10 2xat h LEU 192 Ca 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2xat h LEU 192 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2xat h LEU 192 CO -0.08 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.45 2xat h LEU 193 N 0.00 0.00 -4.00 1.67 3.38 0.01 -3.14 115.31 113.23 2xat h LEU 193 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2xat h LEU 193 Cb 0.79 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.24 2xat h LEU 193 CO 0.00 0.00 0.79 0.00 0.09 0.00 0.00 178.44 179.32 2xat s THR 195 N -4.24 0.00 -0.26 0.00 -4.23 -1.19 -5.05 115.64 100.67 2xat s THR 195 Ca 0.62 -1.70 0.11 0.00 -1.18 0.00 0.00 61.69 59.55 2xat s THR 195 Cb 0.50 -2.59 0.53 0.00 1.34 0.00 0.00 72.50 72.28 2xat s THR 195 CO 0.04 0.00 1.48 0.61 -0.54 0.00 0.00 174.62 176.21 2xat n GLY 196 N -0.56 4.56 2.62 3.99 0.00 -1.26 -4.82 105.19 109.72 2xat n GLY 196 Ca 0.02 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2xat n GLY 196 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2xat n ASP 197 N -0.90 7.24 -0.27 1.61 -0.08 -1.26 -4.81 116.55 118.07 2xat n ASP 197 Ca 0.31 -3.25 0.06 0.00 -1.51 0.00 0.00 54.79 50.39 2xat n ASP 197 Cb 1.03 -1.34 0.16 0.00 2.34 0.00 0.00 41.12 43.31 2xat n ASP 197 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2xat h ILE 198 N 2.82 0.29 -0.58 5.18 1.08 -1.91 0.32 117.51 124.70 2xat h ILE 198 Ca 0.58 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 65.06 2xat h ILE 198 Cb 0.39 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2xat h ILE 198 CO 1.45 0.01 0.38 -0.65 -0.69 0.00 0.00 178.15 178.66 2xat h PRO 199 N 0.08 0.62 0.33 2.37 0.11 -1.95 0.49 132.00 134.05 2xat h PRO 199 Ca 0.43 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 2xat h PRO 199 Cb 0.76 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2xat h PRO 199 CO -0.71 0.41 -0.16 0.00 -0.21 0.00 0.00 178.00 177.33 2xat h ALA 200 N 1.67 -0.44 -0.97 -0.75 0.00 -0.87 -2.60 119.26 115.30 2xat h ALA 200 Ca 0.24 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2xat h ALA 200 Cb 0.14 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2xat h ALA 200 CO -0.07 -0.57 0.58 1.25 0.00 0.00 0.00 179.25 180.44 2xat h LEU 201 N -0.80 0.75 -0.53 0.00 5.85 -0.05 -0.95 115.31 119.58 2xat h LEU 201 Ca -0.04 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2xat h LEU 201 Cb 0.52 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2xat h LEU 201 CO 0.07 0.29 0.35 0.22 -0.34 0.00 0.00 178.44 179.03 2xat h TYR 202 N 0.76 0.66 0.46 1.25 3.20 0.02 -0.87 116.97 122.45 2xat h TYR 202 Ca 0.55 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.41 2xat h TYR 202 Cb 0.80 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2xat h TYR 202 CO -0.02 0.42 -0.22 1.96 -1.64 0.00 0.00 178.16 178.65 2xat h GLN 203 N 0.71 -0.60 -1.01 1.82 1.08 -0.81 -0.03 115.11 116.27 2xat h GLN 203 Ca 0.19 0.04 0.27 0.00 -1.45 0.00 0.00 58.65 57.71 2xat h GLN 203 Cb -0.08 0.14 -0.13 0.00 -0.05 0.00 0.00 27.48 27.36 2xat h GLN 203 CO -0.04 -0.33 0.60 1.25 -0.95 0.00 0.00 178.83 179.36 2xat h HIS 204 N -0.79 0.97 0.00 2.96 -0.00 -1.16 0.27 115.15 117.40 2xat h HIS 204 Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2xat h HIS 204 Cb 0.55 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2xat h HIS 204 CO -0.01 -0.01 0.00 1.87 -0.00 0.00 0.00 177.93 179.78 2xat n TRP 205 N -4.91 0.00 -0.32 5.26 -0.00 -0.35 -2.24 117.44 114.89 2xat n TRP 205 Ca 0.28 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.98 2xat n TRP 205 Cb 0.83 -0.44 0.37 0.00 -0.00 0.00 0.00 31.31 32.07 2xat n TRP 205 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2xat n LYS 206 N -1.83 -0.07 0.12 5.87 4.76 -0.06 -0.89 118.16 126.05 2xat n LYS 206 Ca 0.00 1.37 -0.07 0.00 -2.87 0.00 0.00 58.31 56.74 2xat n LYS 206 Cb 0.00 -2.27 -0.04 0.00 -1.84 0.00 0.00 35.03 30.89 2xat n LYS 206 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2xat h GLN 207 N 0.00 -0.38 -0.93 1.97 5.75 -0.50 -2.84 115.11 118.18 2xat h GLN 207 Ca 0.65 0.03 0.20 0.00 -0.15 0.00 0.00 58.65 59.37 2xat h GLN 207 Cb 1.50 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 30.06 2xat h GLN 207 CO -0.83 -0.25 0.61 -0.09 -2.65 0.00 0.00 178.83 175.61 2xat h ARG 208 N -0.39 0.50 0.00 1.69 2.43 -0.55 0.23 114.38 118.29 2xat h ARG 208 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2xat h ARG 208 Cb 0.34 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2xat h ARG 208 CO -0.02 0.33 0.12 1.04 -1.51 0.00 0.00 179.97 179.93 2xat n GLN 209 N -4.57 0.06 0.00 0.20 6.02 -0.35 -5.12 117.38 113.62 2xat n GLN 209 Ca 0.20 0.51 0.10 0.00 -0.01 0.00 0.00 57.00 57.80 2xat n GLN 209 Cb 0.66 -1.82 0.08 0.00 1.02 0.00 0.00 30.24 30.18 2xat n GLN 209 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05