#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oio s VAL 2 N 0.00 0.03 -0.04 0.00 0.11 -1.26 -1.41 120.40 117.83 1oio s VAL 2 Ca 0.00 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 1oio s VAL 2 Cb 0.00 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1oio s VAL 2 CO 0.00 -0.13 0.25 -0.94 -3.33 0.00 0.00 175.10 170.95 1oio s SER 3 N -0.42 -0.17 -0.08 3.54 1.04 -0.38 -4.91 113.70 112.32 1oio s SER 3 Ca -0.05 0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.32 1oio s SER 3 Cb -0.03 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1oio s SER 3 CO 0.01 -0.30 0.76 0.12 0.98 0.00 0.00 173.24 174.81 1oio s PHE 4 N -0.79 3.56 0.00 5.02 5.36 -1.26 -0.09 117.98 129.77 1oio s PHE 4 Ca -0.09 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1oio s PHE 4 Cb -0.05 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1oio s PHE 4 CO 0.02 0.01 0.63 0.44 -1.46 0.00 0.00 175.22 174.87 1oio n ILE 5 N 3.98 0.36 -1.55 3.12 -5.35 0.11 -4.92 119.36 115.11 1oio n ILE 5 Ca 0.01 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1oio n ILE 5 Cb 0.51 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1oio n ILE 5 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oio n GLY 6 N -0.18 2.20 3.48 3.28 0.00 -0.69 -4.80 105.19 108.47 1oio n GLY 6 Ca 0.00 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1oio n GLY 6 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oio s SER 7 N -0.87 4.01 0.06 1.61 0.01 -1.26 -5.04 113.70 112.22 1oio s SER 7 Ca 0.00 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 1oio s SER 7 Cb 0.00 -0.82 -0.19 0.00 0.21 0.00 0.00 66.02 65.22 1oio s SER 7 CO 0.00 0.33 1.22 0.74 0.41 0.00 0.00 173.24 175.95 1oio h THR 8 N 4.28 1.33 -3.43 1.44 2.02 -1.92 -3.44 112.91 113.20 1oio h THR 8 Ca -0.47 -1.99 -0.64 0.00 0.77 0.00 0.00 66.41 64.08 1oio h THR 8 Cb 1.15 2.23 -0.22 0.00 -1.74 0.00 0.00 68.15 69.57 1oio h THR 8 CO 0.50 0.61 -0.64 -1.61 0.37 0.00 0.00 175.52 174.75 1oio s GLU 9 N -3.56 3.68 -0.03 6.66 0.41 -1.26 0.88 118.70 125.48 1oio s GLU 9 Ca -0.11 -0.49 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 1oio s GLU 9 Cb 0.06 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1oio s GLU 9 CO 0.87 0.05 -0.10 -0.80 -0.49 0.00 0.00 175.26 174.79 1oio s ASN 10 N 0.91 1.35 -0.04 -0.19 -0.87 -0.55 -4.98 114.94 110.57 1oio s ASN 10 Ca 0.02 -0.21 -0.12 0.00 -1.57 0.00 0.00 52.86 50.97 1oio s ASN 10 Cb -0.14 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.25 40.67 1oio s ASN 10 CO 0.02 0.08 0.31 -1.81 -2.57 0.00 0.00 177.10 173.13 1oio s ASP 11 N 0.18 6.66 -0.25 -1.22 1.01 -1.26 -0.93 116.67 120.86 1oio s ASP 11 Ca -0.03 0.79 -0.08 0.00 0.71 0.00 0.00 52.55 53.94 1oio s ASP 11 Cb -0.09 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 1oio s ASP 11 CO 0.01 0.35 0.08 -0.69 0.21 0.00 0.00 175.17 175.13 1oio s VAL 12 N -1.04 4.44 0.00 -1.27 1.01 0.47 -4.53 120.40 119.47 1oio s VAL 12 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1oio s VAL 12 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1oio s VAL 12 CO 0.10 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1oio n GLY 13 N 4.83 -1.55 3.76 4.51 0.00 -0.85 -1.86 105.19 114.03 1oio n GLY 13 Ca -0.16 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 1oio n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oio s PRO 14 N -2.57 4.62 0.19 1.61 0.04 -1.26 -4.64 135.00 132.99 1oio s PRO 14 Ca 0.00 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 62.51 1oio s PRO 14 Cb 0.00 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 1oio s PRO 14 CO 0.00 0.20 1.63 0.45 0.04 0.00 0.00 177.00 179.32 1oio s SER 15 N -0.92 6.49 -1.45 6.66 0.15 -1.26 -2.48 113.70 120.89 1oio s SER 15 Ca 0.45 2.74 -0.07 0.00 0.70 0.00 0.00 55.95 59.77 1oio s SER 15 Cb -0.31 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.43 1oio s SER 15 CO 0.40 -0.89 0.61 0.00 1.20 0.00 0.00 173.24 174.56 1oio n GLN 16 N 3.84 -4.53 -1.57 5.44 6.02 0.19 -4.95 117.38 121.82 1oio n GLN 16 Ca 0.14 0.74 -0.32 0.00 -0.01 0.00 0.00 57.00 57.55 1oio n GLN 16 Cb 0.37 -5.56 0.06 0.00 1.02 0.00 0.00 30.24 26.14 1oio n GLN 16 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1oio s GLY 17 N -2.76 1.89 -0.09 1.08 0.00 -1.03 -4.76 107.32 101.65 1oio s GLY 17 Ca 0.37 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.48 1oio s GLY 17 CO 0.45 0.69 -0.22 -0.56 0.00 0.00 0.00 173.10 173.46 1oio s SER 18 N -3.10 3.25 -0.03 1.64 0.01 -1.26 -0.93 113.70 113.29 1oio s SER 18 Ca 0.63 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1oio s SER 18 Cb -0.18 -1.22 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 1oio s SER 18 CO 0.49 0.20 -0.16 -0.31 0.41 0.00 0.00 173.24 173.86 1oio s TYR 19 N 0.13 1.59 0.18 2.43 1.51 0.15 -4.96 117.35 118.38 1oio s TYR 19 Ca -0.11 -0.41 0.10 0.00 -1.01 0.00 0.00 57.07 55.64 1oio s TYR 19 Cb -0.16 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1oio s TYR 19 CO 0.06 -0.12 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.10 1oio s SER 20 N -0.09 3.84 0.06 2.29 0.01 -1.26 -0.44 113.70 118.10 1oio s SER 20 Ca -0.00 -0.72 -0.28 0.00 1.31 0.00 0.00 55.95 56.26 1oio s SER 20 Cb -0.10 -0.49 0.09 0.00 0.21 0.00 0.00 66.02 65.74 1oio s SER 20 CO 0.01 0.12 1.07 -0.55 0.41 0.00 0.00 173.24 174.30 1oio s SER 21 N -2.72 -0.16 0.03 2.44 0.15 -1.11 -4.95 113.70 107.37 1oio s SER 21 Ca 0.23 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1oio s SER 21 Cb -0.08 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1oio s SER 21 CO 0.12 -0.63 -0.05 0.28 1.20 0.00 0.00 173.24 174.16 1oio s THR 22 N -2.94 0.34 0.02 6.45 -1.32 -1.26 -1.20 115.64 115.74 1oio s THR 22 Ca 0.12 -0.82 -0.27 0.00 -1.21 0.00 0.00 61.69 59.51 1oio s THR 22 Cb 0.01 -0.41 0.06 0.00 -1.51 0.00 0.00 72.50 70.65 1oio s THR 22 CO -0.02 -0.32 0.62 -1.38 -2.21 0.00 0.00 174.62 171.31 1oio s HIS 23 N -1.11 -0.57 0.59 9.09 -3.43 -0.70 -4.97 115.29 114.18 1oio s HIS 23 Ca -0.09 0.79 -0.20 0.00 -0.80 0.00 0.00 55.06 54.76 1oio s HIS 23 Cb -0.08 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 1oio s HIS 23 CO -0.00 -0.67 1.26 0.00 -2.00 0.00 0.00 174.74 173.33 1oio s ALA 24 N -2.04 2.59 0.01 -1.38 0.00 -1.26 -1.56 121.76 118.12 1oio s ALA 24 Ca -0.07 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1oio s ALA 24 Cb -0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1oio s ALA 24 CO 0.02 -1.28 0.64 -0.12 0.00 0.00 0.00 175.76 175.02 1oio n MET 25 N -1.47 -0.04 -0.38 0.00 1.56 0.11 -1.52 117.12 115.38 1oio n MET 25 Ca 0.13 0.63 0.07 0.00 -0.27 0.00 0.00 57.70 58.26 1oio n MET 25 Cb 0.48 -0.95 0.24 0.00 2.15 0.00 0.00 33.22 35.14 1oio n MET 25 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1oio n ASP 26 N -2.90 3.21 -4.58 6.12 8.00 -1.26 -4.64 116.55 120.51 1oio n ASP 26 Ca 0.00 -2.24 -0.38 0.00 0.71 0.00 0.00 54.79 52.89 1oio n ASP 26 Cb 0.02 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 1oio n ASP 26 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1oio s ASN 27 N -0.81 6.19 0.03 -2.24 3.04 -0.58 -4.87 114.94 115.70 1oio s ASN 27 Ca 0.34 -2.11 0.02 0.00 0.04 0.00 0.00 52.86 51.15 1oio s ASN 27 Cb 0.21 -2.58 -0.02 0.00 -1.54 0.00 0.00 41.25 37.32 1oio s ASN 27 CO 0.18 -1.85 -0.07 -0.76 -3.04 0.00 0.00 177.10 171.56 1oio s LEU 28 N 6.63 2.19 0.42 3.21 1.43 -1.26 -3.84 118.68 127.46 1oio s LEU 28 Ca 0.59 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.01 1oio s LEU 28 Cb 0.02 -0.17 -0.08 0.00 0.03 0.00 0.00 46.19 45.98 1oio s LEU 28 CO 0.09 -0.14 1.16 -2.84 0.23 0.00 0.00 176.35 174.84 1oio s PRO 29 N -1.21 3.97 -0.16 1.29 0.02 -1.26 -5.12 135.00 132.52 1oio s PRO 29 Ca -0.07 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.72 1oio s PRO 29 Cb -0.08 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.86 1oio s PRO 29 CO 0.00 -0.38 -0.10 0.12 -0.33 0.00 0.00 177.00 176.31 1oio s PHE 30 N -1.48 2.87 -0.22 6.54 5.36 -0.67 -4.92 117.98 125.45 1oio s PHE 30 Ca 0.59 -0.80 -0.12 0.00 -0.96 0.00 0.00 56.93 55.63 1oio s PHE 30 Cb -0.29 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.40 1oio s PHE 30 CO 0.36 -0.36 0.25 0.08 -1.46 0.00 0.00 175.22 174.09 1oio s VAL 31 N 0.79 5.30 0.11 3.12 1.01 -1.26 -0.07 120.40 129.40 1oio s VAL 31 Ca -0.04 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1oio s VAL 31 Cb -0.15 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1oio s VAL 31 CO 0.01 0.32 1.23 -0.31 0.00 0.00 0.00 175.10 176.35 1oio s TYR 32 N 1.08 3.40 -1.35 5.22 1.51 0.10 -4.92 117.35 122.40 1oio s TYR 32 Ca 0.12 1.28 -0.15 0.00 -1.01 0.00 0.00 57.07 57.32 1oio s TYR 32 Cb -0.14 -3.47 0.09 0.00 -0.11 0.00 0.00 41.96 38.33 1oio s TYR 32 CO 0.05 -1.44 1.91 -1.71 -1.11 0.00 0.00 175.55 173.25 1oio n ASN 33 N 3.46 4.60 -0.79 2.29 5.15 -1.26 -4.39 115.26 124.31 1oio n ASN 33 Ca 0.08 -2.93 0.12 0.00 -0.60 0.00 0.00 54.58 51.25 1oio n ASN 33 Cb 0.45 -1.65 0.30 0.00 -0.53 0.00 0.00 39.78 38.35 1oio n ASN 33 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1oio n THR 34 N 5.19 0.18 0.00 -0.44 -2.24 -1.26 -5.03 114.28 110.68 1oio n THR 34 Ca 0.47 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1oio n THR 34 Cb 0.41 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1oio n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oio n GLY 35 N 1.29 3.45 1.24 3.38 0.00 -1.26 -1.09 105.19 112.19 1oio n GLY 35 Ca 0.17 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1oio n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oio n TYR 36 N 14.00 0.97 0.59 1.61 0.53 -1.26 -4.57 117.16 129.02 1oio n TYR 36 Ca 0.00 -0.53 0.09 0.00 -1.02 0.00 0.00 57.90 56.44 1oio n TYR 36 Cb 0.00 -0.06 0.39 0.00 -1.03 0.00 0.00 39.34 38.64 1oio n TYR 36 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1oio n ASN 37 N 1.26 0.10 -3.96 7.72 3.02 -0.25 -4.02 115.26 119.12 1oio n ASN 37 Ca 0.22 0.52 -0.30 0.00 -0.03 0.00 0.00 54.58 54.99 1oio n ASN 37 Cb 0.64 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1oio n ASN 37 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1oio s ILE 38 N -3.04 2.86 0.13 2.41 1.01 -1.26 -4.70 121.20 118.61 1oio s ILE 38 Ca 0.08 -3.60 -0.06 0.00 0.00 0.00 0.00 60.65 57.07 1oio s ILE 38 Cb 0.11 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1oio s ILE 38 CO 0.34 -0.88 0.32 0.61 0.00 0.00 0.00 174.94 175.33 1oio n GLY 39 N 2.77 1.48 2.98 6.18 0.00 -1.26 -0.83 105.19 116.52 1oio n GLY 39 Ca 0.10 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1oio n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oio s TYR 40 N -5.98 0.53 -0.09 1.61 5.04 0.11 -2.00 117.35 116.57 1oio s TYR 40 Ca 0.07 -0.16 -0.10 0.00 -2.44 0.00 0.00 57.07 54.43 1oio s TYR 40 Cb -0.02 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 41.98 1oio s TYR 40 CO 0.04 -0.02 0.27 -1.14 -1.34 0.00 0.00 175.55 173.36 1oio s GLN 41 N -0.39 0.38 -0.27 4.97 0.74 -1.26 -0.80 119.66 123.04 1oio s GLN 41 Ca 0.00 0.26 -0.06 0.00 0.05 0.00 0.00 55.36 55.61 1oio s GLN 41 Cb -0.04 0.18 0.13 0.00 1.10 0.00 0.00 33.01 34.39 1oio s GLN 41 CO -0.00 -0.06 0.55 1.21 -0.55 0.00 0.00 175.29 176.43 1oio s ASN 42 N -0.14 -0.81 0.16 6.67 3.84 -0.76 -5.02 114.94 118.88 1oio s ASN 42 Ca -0.03 1.10 0.25 0.00 0.21 0.00 0.00 52.86 54.39 1oio s ASN 42 Cb -0.03 1.89 0.92 0.00 -0.55 0.00 0.00 41.25 43.48 1oio s ASN 42 CO 0.01 -0.24 1.76 0.00 -2.79 0.00 0.00 177.10 175.84 1oio n ALA 43 N 5.42 2.08 -3.73 1.71 0.00 -1.26 -1.20 120.51 123.53 1oio n ALA 43 Ca -0.07 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 1oio n ALA 43 Cb 0.50 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 1oio n ALA 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oio s ASN 44 N -4.04 3.65 -0.17 0.00 0.01 -1.26 -3.01 114.94 110.11 1oio s ASN 44 Ca 0.09 -3.32 0.07 0.00 -0.71 0.00 0.00 52.86 48.99 1oio s ASN 44 Cb 0.13 -1.19 -0.15 0.00 0.41 0.00 0.00 41.25 40.44 1oio s ASN 44 CO 0.50 -0.16 -0.07 0.52 -1.51 0.00 0.00 177.10 176.39 1oio n VAL 45 N 2.62 1.05 -4.15 1.60 0.31 -0.14 -3.94 118.33 115.69 1oio n VAL 45 Ca 0.19 -0.51 -0.15 0.00 -0.01 0.00 0.00 64.34 63.85 1oio n VAL 45 Cb 0.38 -0.91 -0.13 0.00 -0.91 0.00 0.00 33.84 32.28 1oio n VAL 45 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1oio s TRP 46 N -2.37 0.75 -0.15 3.52 0.51 -0.66 0.09 118.94 120.63 1oio s TRP 46 Ca -0.17 -0.36 -0.05 0.00 -2.12 0.00 0.00 56.10 53.40 1oio s TRP 46 Cb 0.06 -0.45 -0.04 0.00 -0.81 0.00 0.00 33.47 32.23 1oio s TRP 46 CO 0.52 -0.03 0.03 0.50 -0.51 0.00 0.00 176.95 177.45 1oio s ARG 47 N -1.11 3.65 0.12 4.98 3.52 0.87 -0.36 118.95 130.63 1oio s ARG 47 Ca -0.04 -0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1oio s ARG 47 Cb -0.07 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1oio s ARG 47 CO 0.00 0.39 -0.14 0.96 -0.81 0.00 0.00 175.30 175.71 1oio s ILE 48 N -0.00 1.32 0.15 4.11 -4.36 0.29 -1.24 121.20 121.47 1oio s ILE 48 Ca 0.04 -1.72 -0.11 0.00 -0.26 0.00 0.00 60.65 58.61 1oio s ILE 48 Cb -0.13 -1.53 0.04 0.00 1.25 0.00 0.00 42.46 42.10 1oio s ILE 48 CO 0.01 -0.42 0.54 -1.54 0.24 0.00 0.00 174.94 173.77 1oio n SER 49 N 0.53 -1.13 -4.03 4.36 3.41 -0.50 -1.05 113.62 115.21 1oio n SER 49 Ca -0.15 -1.68 -0.31 0.00 -0.26 0.00 0.00 58.87 56.46 1oio n SER 49 Cb 0.57 1.86 -0.03 0.00 -0.26 0.00 0.00 64.21 66.35 1oio n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oio n GLY 50 N -0.37 -0.40 2.29 5.00 0.00 -1.22 -0.70 105.19 109.78 1oio n GLY 50 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1oio n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oio n GLY 51 N -2.12 0.53 3.77 -0.02 0.00 0.82 -4.44 105.19 103.73 1oio n GLY 51 Ca -0.25 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1oio n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oio s PHE 52 N -1.87 2.86 -0.11 1.61 5.36 -0.84 -4.63 117.98 120.37 1oio s PHE 52 Ca 0.00 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 57.27 1oio s PHE 52 Cb 0.00 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1oio s PHE 52 CO 0.00 -2.41 -0.23 0.00 -1.46 0.00 0.00 175.22 171.12 1oio s VAL 54 N 0.48 0.04 0.00 0.00 0.11 0.30 -1.84 120.40 119.49 1oio s VAL 54 Ca -0.16 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1oio s VAL 54 Cb -0.17 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1oio s VAL 54 CO 0.06 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1oio n GLY 55 N 2.05 4.97 2.99 6.54 0.00 -0.23 -1.34 105.19 120.17 1oio n GLY 55 Ca -0.18 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 1oio n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oio s LEU 56 N 0.00 2.11 0.10 0.99 1.43 -0.53 -1.00 118.68 121.78 1oio s LEU 56 Ca 0.00 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1oio s LEU 56 Cb 0.00 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 1oio s LEU 56 CO 0.00 -0.05 -0.21 -1.81 0.23 0.00 0.00 176.35 174.51 1oio s ASP 57 N -0.70 3.69 0.10 2.29 1.01 0.27 -0.29 116.67 123.05 1oio s ASP 57 Ca -0.03 -0.58 0.05 0.00 0.71 0.00 0.00 52.55 52.70 1oio s ASP 57 Cb -0.05 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.37 1oio s ASP 57 CO 0.00 0.20 -0.12 -0.83 0.21 0.00 0.00 175.17 174.63 1oio s GLY 58 N -1.91 0.92 -0.15 0.21 0.00 0.14 -0.74 107.32 105.79 1oio s GLY 58 Ca 0.16 -1.20 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 1oio s GLY 58 CO 0.08 -1.26 0.35 1.25 0.00 0.00 0.00 173.10 173.52 1oio s LYS 59 N -2.60 0.32 -0.14 2.90 2.20 0.36 -0.60 119.74 122.19 1oio s LYS 59 Ca 0.05 0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 56.35 1oio s LYS 59 Cb -0.05 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.21 1oio s LYS 59 CO 0.01 -0.17 -0.00 0.08 -0.36 0.00 0.00 175.35 174.91 1oio s VAL 60 N 1.49 4.25 -1.29 4.02 1.01 -1.26 -0.35 120.40 128.26 1oio s VAL 60 Ca -0.08 -0.24 0.20 0.00 0.00 0.00 0.00 61.98 61.85 1oio s VAL 60 Cb -0.09 -2.85 -0.14 0.00 0.00 0.00 0.00 36.38 33.30 1oio s VAL 60 CO -0.11 0.52 0.91 0.47 0.00 0.00 0.00 175.10 176.89 1oio n ASP 61 N 3.05 1.30 -4.76 3.32 8.00 -0.09 -4.25 116.55 123.13 1oio n ASP 61 Ca -0.18 -1.15 -0.39 0.00 0.71 0.00 0.00 54.79 53.78 1oio n ASP 61 Cb 0.53 0.81 0.01 0.00 -0.02 0.00 0.00 41.12 42.45 1oio n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oio s LEU 62 N -2.74 4.04 0.27 0.64 1.43 -1.24 -4.94 118.68 116.15 1oio s LEU 62 Ca 0.11 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.60 1oio s LEU 62 Cb 0.16 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.19 1oio s LEU 62 CO 0.71 -1.16 1.45 -2.84 0.23 0.00 0.00 176.35 174.74 1oio s PRO 63 N -2.57 4.25 -0.15 1.29 0.02 -1.26 -4.79 135.00 131.78 1oio s PRO 63 Ca 0.63 2.34 -0.29 0.00 0.02 0.00 0.00 61.00 63.71 1oio s PRO 63 Cb -0.38 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1oio s PRO 63 CO 0.48 -0.43 1.08 0.08 -0.33 0.00 0.00 177.00 177.88 1oio s VAL 64 N -0.18 4.60 -0.99 3.83 1.01 -1.26 -0.70 120.40 126.71 1oio s VAL 64 Ca 0.58 1.91 0.08 0.00 0.00 0.00 0.00 61.98 64.55 1oio s VAL 64 Cb -0.43 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 31.81 1oio s VAL 64 CO 0.46 -0.09 0.81 1.33 0.00 0.00 0.00 175.10 177.61 1oio n VAL 65 N 4.96 0.11 -1.96 2.92 0.24 0.17 -4.88 118.33 119.89 1oio n VAL 65 Ca 0.11 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1oio n VAL 65 Cb 0.47 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1oio n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oio n GLY 66 N 0.44 -1.49 3.08 7.63 0.00 -1.11 -4.98 105.19 108.75 1oio n GLY 66 Ca 0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1oio n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oio s SER 67 N -2.32 0.27 -0.27 1.61 1.04 -1.26 -0.50 113.70 112.26 1oio s SER 67 Ca 0.00 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 1oio s SER 67 Cb 0.00 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.41 1oio s SER 67 CO 0.00 -0.48 0.62 -0.22 0.98 0.00 0.00 173.24 174.14 1oio s LEU 68 N -2.17 -0.96 -1.55 2.42 2.96 0.21 -4.84 118.68 114.75 1oio s LEU 68 Ca -0.04 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 1oio s LEU 68 Cb -0.01 2.18 0.00 0.00 0.50 0.00 0.00 46.19 48.86 1oio s LEU 68 CO -0.05 -0.23 0.00 0.47 -1.32 0.00 0.00 176.35 175.22 1oio n ASP 69 N 4.96 -4.88 -0.75 3.68 8.00 -1.26 -1.21 116.55 125.08 1oio n ASP 69 Ca -0.15 0.19 -0.07 0.00 0.71 0.00 0.00 54.79 55.47 1oio n ASP 69 Cb 0.53 -3.91 -0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1oio n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oio n GLY 70 N -1.00 0.12 3.02 0.44 0.00 -1.26 -5.02 105.19 101.48 1oio n GLY 70 Ca -0.18 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1oio n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oio s GLN 71 N -4.29 0.56 0.37 1.61 0.74 -0.35 -4.92 119.66 113.39 1oio s GLN 71 Ca 0.00 -0.45 -0.25 0.00 0.05 0.00 0.00 55.36 54.71 1oio s GLN 71 Cb 0.00 -0.48 -0.09 0.00 1.10 0.00 0.00 33.01 33.54 1oio s GLN 71 CO 0.00 0.12 1.06 -1.12 -0.55 0.00 0.00 175.29 174.80 1oio s SER 72 N -0.69 6.86 -0.33 6.67 0.01 -0.93 0.67 113.70 125.95 1oio s SER 72 Ca -0.01 2.08 -0.11 0.00 1.31 0.00 0.00 55.95 59.22 1oio s SER 72 Cb -0.05 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.58 1oio s SER 72 CO 0.00 -0.42 0.19 -0.63 0.41 0.00 0.00 173.24 172.79 1oio s ILE 73 N -1.55 4.78 -0.06 1.44 1.01 0.34 -4.48 121.20 122.67 1oio s ILE 73 Ca 0.55 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 1oio s ILE 73 Cb -0.24 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1oio s ILE 73 CO 0.30 -0.01 0.34 -0.31 0.00 0.00 0.00 174.94 175.26 1oio s TYR 74 N 1.63 3.64 0.10 3.97 1.51 -0.05 -0.66 117.35 127.50 1oio s TYR 74 Ca 0.05 0.83 -0.28 0.00 -1.01 0.00 0.00 57.07 56.66 1oio s TYR 74 Cb -0.18 -2.25 -0.06 0.00 -0.11 0.00 0.00 41.96 39.36 1oio s TYR 74 CO 0.07 0.56 0.87 0.20 -1.11 0.00 0.00 175.55 176.14 1oio s GLY 75 N -0.67 2.93 -0.15 0.71 0.00 0.12 0.60 107.32 110.86 1oio s GLY 75 Ca 0.21 0.45 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 1oio s GLY 75 CO 0.10 1.26 -0.19 1.04 0.00 0.00 0.00 173.10 175.30 1oio n LEU 76 N 2.61 1.15 0.00 0.66 4.77 -0.33 -4.49 117.00 121.36 1oio n LEU 76 Ca -0.00 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 1oio n LEU 76 Cb 0.49 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1oio n LEU 76 CO 0.49 0.33 -0.08 0.35 -1.33 0.00 0.00 177.39 177.15 1oio n THR 77 N -3.64 0.00 0.22 -5.08 -2.24 -0.49 -4.98 114.28 98.07 1oio n THR 77 Ca -0.29 -1.94 0.05 0.00 -2.27 0.00 0.00 64.05 59.60 1oio n THR 77 Cb 0.71 0.94 0.49 0.00 -2.10 0.00 0.00 70.33 70.38 1oio n THR 77 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1oio h GLU 78 N 0.00 0.00 -0.01 -0.78 4.81 -1.98 -3.18 114.58 113.44 1oio h GLU 78 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1oio h GLU 78 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1oio h GLU 78 CO 0.29 0.20 -0.18 -0.85 -0.73 0.00 0.00 179.01 177.74 1oio n GLU 79 N -4.28 1.95 -4.52 1.92 0.00 -1.26 -4.49 120.64 109.96 1oio n GLU 79 Ca -0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 57.16 56.27 1oio n GLU 79 Cb 0.26 -1.08 -0.16 0.00 0.00 0.00 0.00 31.44 30.46 1oio n GLU 79 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1oio s VAL 80 N -1.26 1.00 0.11 3.84 1.01 -1.20 -0.68 120.40 123.21 1oio s VAL 80 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1oio s VAL 80 Cb 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1oio s VAL 80 CO 0.23 0.31 0.01 0.61 0.00 0.00 0.00 175.10 176.26 1oio n GLY 81 N 3.53 3.97 3.23 4.51 0.00 0.19 -1.19 105.19 119.43 1oio n GLY 81 Ca -0.21 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.44 1oio n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oio s LEU 82 N 0.00 0.71 -0.17 0.99 2.96 0.20 -1.10 118.68 122.27 1oio s LEU 82 Ca 0.01 0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1oio s LEU 82 Cb -0.00 1.16 -0.04 0.00 0.50 0.00 0.00 46.19 47.80 1oio s LEU 82 CO 0.00 -0.12 0.11 -0.76 -1.32 0.00 0.00 176.35 174.26 1oio s LEU 83 N 0.16 4.12 0.02 -0.68 1.43 -0.17 -0.87 118.68 122.69 1oio s LEU 83 Ca -0.00 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1oio s LEU 83 Cb -0.02 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1oio s LEU 83 CO 0.01 0.25 -0.21 -0.63 0.23 0.00 0.00 176.35 175.99 1oio s ILE 84 N -0.07 1.69 -0.05 -0.59 1.01 -1.26 -1.15 121.20 120.79 1oio s ILE 84 Ca 0.09 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1oio s ILE 84 Cb -0.12 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.92 1oio s ILE 84 CO 0.00 0.31 -0.10 0.26 0.00 0.00 0.00 174.94 175.41 1oio s TRP 85 N -0.69 1.19 0.02 3.97 0.51 -0.43 -0.74 118.94 122.76 1oio s TRP 85 Ca 0.08 -0.39 0.04 0.00 -2.12 0.00 0.00 56.10 53.71 1oio s TRP 85 Cb -0.09 -0.89 -0.02 0.00 -0.81 0.00 0.00 33.47 31.67 1oio s TRP 85 CO 0.01 -0.21 -0.11 -1.64 -0.51 0.00 0.00 176.95 174.48 1oio s MET 86 N 0.60 0.82 0.00 4.98 -1.94 -0.25 -1.87 119.30 121.64 1oio s MET 86 Ca -0.11 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 1oio s MET 86 Cb -0.14 -0.79 0.00 0.00 2.01 0.00 0.00 34.83 35.92 1oio s MET 86 CO 0.02 0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.64 1oio n GLY 87 N 2.23 -0.63 3.54 -0.03 0.00 -0.69 0.46 105.19 110.07 1oio n GLY 87 Ca -0.17 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 1oio n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oio s ASP 88 N -4.00 1.36 0.16 1.61 2.15 -1.26 -1.11 116.67 115.58 1oio s ASP 88 Ca 0.00 1.33 -0.26 0.00 0.43 0.00 0.00 52.55 54.05 1oio s ASP 88 Cb 0.00 -2.07 -0.02 0.00 -0.30 0.00 0.00 42.92 40.53 1oio s ASP 88 CO 0.00 -3.94 1.41 0.41 -0.17 0.00 0.00 175.17 172.88 1oio n THR 89 N -4.72 -0.60 -2.24 1.71 -1.04 -1.26 -3.00 114.28 103.13 1oio n THR 89 Ca 0.04 2.20 -0.42 0.00 -2.04 0.00 0.00 64.05 63.82 1oio n THR 89 Cb 0.56 -2.75 -0.03 0.00 -1.82 0.00 0.00 70.33 66.29 1oio n THR 89 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1oio s ASN 90 N -5.44 6.88 0.37 8.00 0.01 -1.26 -4.25 114.94 119.25 1oio s ASN 90 Ca -0.11 2.15 0.16 0.00 -0.71 0.00 0.00 52.86 54.35 1oio s ASN 90 Cb 0.11 -2.57 1.04 0.00 0.41 0.00 0.00 41.25 40.25 1oio s ASN 90 CO 0.58 -0.66 1.75 1.88 -1.51 0.00 0.00 177.10 179.14 1oio h TYR 91 N 7.37 0.78 0.00 2.20 -1.99 -1.96 0.33 116.97 123.70 1oio h TYR 91 Ca -0.40 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.36 1oio h TYR 91 Cb 1.19 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1oio h TYR 91 CO 0.71 0.05 0.00 0.66 -0.00 0.00 0.00 178.16 179.58 1oio h SER 92 N 0.44 0.00 -0.07 3.88 4.64 -1.91 -0.09 113.55 120.44 1oio h SER 92 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1oio h SER 92 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1oio h SER 92 CO -0.37 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.13 1oio n ARG 93 N -2.90 1.70 -1.79 4.77 5.12 0.12 -4.96 116.66 118.72 1oio n ARG 93 Ca -0.02 -1.03 -0.41 0.00 -1.93 0.00 0.00 57.85 54.45 1oio n ARG 93 Cb 0.08 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 29.92 1oio n ARG 93 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1oio s GLY 94 N -1.84 2.71 -0.21 -0.13 0.00 -0.05 -4.27 107.32 103.53 1oio s GLY 94 Ca 0.36 1.58 -0.10 0.00 0.00 0.00 0.00 44.72 46.55 1oio s GLY 94 CO 0.31 2.35 0.15 -1.59 0.00 0.00 0.00 173.10 174.31 1oio s THR 95 N -0.81 5.39 0.22 0.90 2.01 0.17 -4.78 115.64 118.74 1oio s THR 95 Ca 0.56 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.46 1oio s THR 95 Cb -0.47 -3.49 -0.11 0.00 0.01 0.00 0.00 72.50 68.44 1oio s THR 95 CO 0.59 0.41 1.63 0.00 -0.69 0.00 0.00 174.62 176.56 1oio s ALA 96 N 0.54 3.83 -0.00 7.40 0.00 -1.26 -1.09 121.76 131.18 1oio s ALA 96 Ca 0.08 1.51 -0.15 0.00 0.00 0.00 0.00 51.96 53.41 1oio s ALA 96 Cb -0.12 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 1oio s ALA 96 CO -0.00 -0.89 0.40 -1.64 0.00 0.00 0.00 175.76 173.64 1oio s MET 97 N 0.63 3.91 -0.01 0.00 -1.94 0.09 -4.92 119.30 117.05 1oio s MET 97 Ca 0.70 0.40 -0.02 0.00 -1.71 0.00 0.00 55.69 55.06 1oio s MET 97 Cb -0.47 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.15 1oio s MET 97 CO 0.37 0.69 0.04 -1.12 -0.01 0.00 0.00 175.02 174.99 1oio s SER 98 N -1.08 -0.00 0.30 3.03 0.01 -1.26 -2.20 113.70 112.49 1oio s SER 98 Ca 0.24 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1oio s SER 98 Cb -0.17 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1oio s SER 98 CO 0.13 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1oio n GLY 99 N 2.71 -1.79 0.13 3.44 0.00 -1.26 -4.58 105.19 103.84 1oio n GLY 99 Ca -0.15 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.61 1oio n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oio n ASN 100 N -0.72 2.30 -4.99 1.61 5.03 -1.26 -4.45 115.26 112.78 1oio n ASN 100 Ca 0.00 -2.45 -0.19 0.00 0.87 0.00 0.00 54.58 52.82 1oio n ASN 100 Cb 0.05 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 1oio n ASN 100 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1oio s SER 101 N -1.72 5.82 0.04 6.41 0.01 -1.26 -4.64 113.70 118.36 1oio s SER 101 Ca 0.16 -0.23 -0.31 0.00 1.31 0.00 0.00 55.95 56.88 1oio s SER 101 Cb 0.13 -1.03 -0.06 0.00 0.21 0.00 0.00 66.02 65.27 1oio s SER 101 CO 0.03 -0.60 1.39 0.26 0.41 0.00 0.00 173.24 174.73 1oio s TRP 102 N -2.29 2.99 0.05 2.43 0.52 -1.26 -4.51 118.94 116.87 1oio s TRP 102 Ca 0.49 0.87 0.07 0.00 0.02 0.00 0.00 56.10 57.55 1oio s TRP 102 Cb -0.10 -3.66 -0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1oio s TRP 102 CO 0.33 -2.41 -0.20 -1.21 0.02 0.00 0.00 176.95 173.48 1oio s GLU 103 N 1.92 1.30 -0.21 4.98 0.41 0.24 -4.91 118.70 122.43 1oio s GLU 103 Ca 0.64 -0.94 -0.29 0.00 -0.41 0.00 0.00 54.97 53.97 1oio s GLU 103 Cb -0.33 -1.42 -0.03 0.00 -1.78 0.00 0.00 34.13 30.57 1oio s GLU 103 CO 0.28 0.36 1.61 1.21 -0.49 0.00 0.00 175.26 178.22 1oio s ASN 104 N -1.26 6.41 0.00 -0.19 3.84 -1.26 0.25 114.94 122.73 1oio s ASN 104 Ca 0.07 1.65 0.10 0.00 0.21 0.00 0.00 52.86 54.88 1oio s ASN 104 Cb -0.09 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.12 1oio s ASN 104 CO 0.02 -1.23 0.72 1.33 -2.79 0.00 0.00 177.10 175.15 1oio n VAL 105 N 6.33 0.00 -3.19 -5.21 0.24 0.61 -4.90 118.33 112.21 1oio n VAL 105 Ca 0.19 -0.46 0.01 0.00 -2.04 0.00 0.00 64.34 62.04 1oio n VAL 105 Cb 0.45 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 1oio n VAL 105 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1oio s PHE 106 N -1.02 -1.44 0.40 6.34 5.36 -0.99 -4.27 117.98 122.37 1oio s PHE 106 Ca 0.10 1.51 0.19 0.00 -0.96 0.00 0.00 56.93 57.76 1oio s PHE 106 Cb 0.08 0.44 1.11 0.00 -0.34 0.00 0.00 43.02 44.31 1oio s PHE 106 CO 0.17 -0.85 1.78 0.66 -1.46 0.00 0.00 175.22 175.51 1oio h SER 107 N 8.04 0.44 -5.00 6.13 4.64 -1.90 -1.41 113.55 124.48 1oio h SER 107 Ca -0.22 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1oio h SER 107 Cb 1.16 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1oio h SER 107 CO 0.26 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 1oio n GLY 108 N -1.48 2.15 3.24 -0.77 0.00 -1.26 -4.57 105.19 102.51 1oio n GLY 108 Ca 0.25 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1oio n GLY 108 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1oio s TRP 109 N -2.31 0.32 -0.13 1.61 1.48 -0.45 -4.93 118.94 114.53 1oio s TRP 109 Ca 0.00 -0.73 0.00 0.00 -1.06 0.00 0.00 56.10 54.32 1oio s TRP 109 Cb 0.00 -0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.19 1oio s TRP 109 CO 0.00 -0.60 -0.14 0.00 -4.06 0.00 0.00 176.95 172.15 1oio h VAL 111 N 5.50 0.01 -0.29 0.00 3.04 -1.30 -3.49 116.25 119.73 1oio h VAL 111 Ca -0.27 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1oio h VAL 111 Cb 1.21 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 1oio h VAL 111 CO 0.55 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.73 1oio n GLY 112 N 0.73 -0.16 3.32 3.17 0.00 -1.26 -4.33 105.19 106.66 1oio n GLY 112 Ca 0.03 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1oio n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1oio n ASN 113 N -1.16 5.10 0.00 1.61 5.15 -1.26 -0.13 115.26 124.57 1oio n ASN 113 Ca 0.00 -2.99 0.00 0.00 -0.60 0.00 0.00 54.58 50.99 1oio n ASN 113 Cb 0.00 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 37.67 1oio n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oio n TYR 114 N 5.62 0.00 -4.30 1.20 0.18 -1.26 -4.98 117.16 113.62 1oio n TYR 114 Ca 0.40 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.83 1oio n TYR 114 Cb 0.42 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.28 1oio n TYR 114 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1oio s VAL 115 N -2.00 4.41 0.00 -3.48 1.01 -1.26 -3.65 120.40 115.44 1oio s VAL 115 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1oio s VAL 115 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1oio s VAL 115 CO 0.00 0.58 0.00 -0.24 0.00 0.00 0.00 175.10 175.44 1oio n SER 116 N 2.46 0.00 -4.27 3.32 2.88 -0.22 -5.02 113.62 112.77 1oio n SER 116 Ca -0.18 -0.66 -0.15 0.00 -1.33 0.00 0.00 58.87 56.55 1oio n SER 116 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1oio n SER 116 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1oio s THR 117 N -2.86 0.99 -0.11 2.46 -4.23 -1.26 -0.55 115.64 110.08 1oio s THR 117 Ca 0.00 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1oio s THR 117 Cb 0.00 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1oio s THR 117 CO 0.00 -0.55 -0.23 -1.58 -0.54 0.00 0.00 174.62 171.71 1oio s GLN 118 N -3.83 3.05 0.00 3.99 2.00 0.52 -4.89 119.66 120.50 1oio s GLN 118 Ca 0.22 -0.87 0.00 0.00 -2.00 0.00 0.00 55.36 52.71 1oio s GLN 118 Cb 0.05 -2.33 0.00 0.00 0.80 0.00 0.00 33.01 31.53 1oio s GLN 118 CO 0.04 0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.38 1oio n GLY 119 N 3.62 5.46 3.82 2.59 0.00 -1.16 -0.97 105.19 118.54 1oio n GLY 119 Ca -0.19 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 43.64 1oio n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1oio s LEU 120 N 0.00 -0.21 0.01 0.99 2.34 -0.34 -4.00 118.68 117.47 1oio s LEU 120 Ca 0.00 -0.57 -0.19 0.00 0.06 0.00 0.00 54.13 53.43 1oio s LEU 120 Cb 0.00 2.51 0.04 0.00 -0.56 0.00 0.00 46.19 48.18 1oio s LEU 120 CO 0.00 -1.19 0.43 -0.94 -1.06 0.00 0.00 176.35 173.59 1oio s SER 121 N -2.95 -0.32 -0.09 1.48 1.04 -0.27 -1.83 113.70 110.76 1oio s SER 121 Ca 0.12 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.65 1oio s SER 121 Cb -0.04 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1oio s SER 121 CO 0.05 -0.60 0.20 -0.69 0.98 0.00 0.00 173.24 173.19 1oio s VAL 122 N -1.94 -0.08 0.03 5.02 1.01 0.02 -1.71 120.40 122.75 1oio s VAL 122 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1oio s VAL 122 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1oio s VAL 122 CO 0.02 0.08 -0.04 -1.38 0.00 0.00 0.00 175.10 173.77 1oio s HIS 123 N 1.35 0.33 0.09 5.22 -3.43 -0.78 0.05 115.29 118.12 1oio s HIS 123 Ca -0.08 -0.56 0.02 0.00 -0.80 0.00 0.00 55.06 53.64 1oio s HIS 123 Cb -0.11 -0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 1oio s HIS 123 CO -0.07 -0.19 -0.07 0.14 -2.00 0.00 0.00 174.74 172.55 1oio s VAL 124 N -1.61 0.70 -0.07 -5.38 -7.23 -0.01 -1.32 120.40 105.48 1oio s VAL 124 Ca -0.14 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1oio s VAL 124 Cb -0.09 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1oio s VAL 124 CO -0.01 -0.75 -0.15 -0.13 -0.31 0.00 0.00 175.10 173.74 1oio s ARG 125 N -3.32 2.01 0.56 4.82 0.52 -0.30 -4.42 118.95 118.82 1oio s ARG 125 Ca 0.07 -0.53 -0.20 0.00 -0.52 0.00 0.00 55.73 54.56 1oio s ARG 125 Cb 0.02 -1.62 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 1oio s ARG 125 CO -0.03 0.07 1.17 -2.14 0.02 0.00 0.00 175.30 174.39 1oio s PRO 126 N 0.56 3.22 -0.05 3.54 0.02 -1.26 -1.00 135.00 140.03 1oio s PRO 126 Ca -0.15 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.62 1oio s PRO 126 Cb -0.16 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.37 1oio s PRO 126 CO 0.05 -0.98 -0.04 0.08 -0.33 0.00 0.00 177.00 175.78 1oio s VAL 127 N -1.66 0.49 -0.09 3.83 1.01 -0.26 -0.72 120.40 123.00 1oio s VAL 127 Ca 0.74 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 1oio s VAL 127 Cb -0.28 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1oio s VAL 127 CO 0.31 0.22 0.76 -0.63 0.00 0.00 0.00 175.10 175.76 1oio s ILE 128 N 1.03 4.98 -0.11 2.22 -1.09 0.89 0.57 121.20 129.70 1oio s ILE 128 Ca -0.09 1.55 0.08 0.00 -2.23 0.00 0.00 60.65 59.95 1oio s ILE 128 Cb -0.14 -4.09 -0.12 0.00 -1.58 0.00 0.00 42.46 36.53 1oio s ILE 128 CO -0.01 0.18 0.00 0.18 -1.23 0.00 0.00 174.94 174.06 1oio n LEU 129 N 4.24 0.62 -4.88 2.97 4.77 0.14 -1.67 117.00 123.19 1oio n LEU 129 Ca 0.01 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1oio n LEU 129 Cb 0.51 0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1oio n LEU 129 CO 0.48 0.36 -0.17 -0.75 -1.33 0.00 0.00 177.39 175.97 1oio s LYS 130 N -2.26 3.38 -0.05 3.23 2.20 -1.24 -4.85 119.74 120.15 1oio s LYS 130 Ca -0.08 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1oio s LYS 130 Cb 0.03 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1oio s LYS 130 CO 0.41 0.68 1.37 0.50 -0.36 0.00 0.00 175.35 177.95 1oio s ARG 131 N -1.82 4.27 -0.03 4.03 3.52 -1.26 -4.97 118.95 122.69 1oio s ARG 131 Ca 0.25 1.88 -0.30 0.00 -0.13 0.00 0.00 55.73 57.43 1oio s ARG 131 Cb -0.12 -3.67 0.12 0.00 -1.56 0.00 0.00 34.95 29.72 1oio s ARG 131 CO 0.17 -0.62 1.21 1.21 -0.81 0.00 0.00 175.30 176.46 1oio s ASN 132 N 2.02 -0.10 0.85 -2.12 2.47 -1.26 -5.17 114.94 111.64 1oio s ASN 132 Ca 0.62 -0.14 -0.04 0.00 0.42 0.00 0.00 52.86 53.72 1oio s ASN 132 Cb -0.28 0.21 0.06 0.00 -1.45 0.00 0.00 41.25 39.79 1oio s ASN 132 CO 0.24 -0.38 0.39 -1.54 -3.72 0.00 0.00 177.10 172.09 1oio n SER 133 N -0.40 0.15 -4.60 -4.21 3.41 -1.26 -4.88 113.62 101.82 1oio n SER 133 Ca -0.07 -1.22 -0.45 0.00 -0.26 0.00 0.00 58.87 56.88 1oio n SER 133 Cb 0.62 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1oio n SER 133 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1oio n SER 134 N -3.18 1.55 -3.69 4.04 7.64 -1.26 -4.72 113.62 114.00 1oio n SER 134 Ca 0.05 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 61.07 1oio n SER 134 Cb 0.19 -1.31 -0.01 0.00 -1.01 0.00 0.00 64.21 62.07 1oio n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oio s ALA 135 N -0.83 -1.78 -0.14 -0.43 0.00 -0.17 -4.93 121.76 113.47 1oio s ALA 135 Ca 0.61 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 1oio s ALA 135 Cb -0.71 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1oio s ALA 135 CO 0.58 -0.97 -0.04 -1.14 0.00 0.00 0.00 175.76 174.20 1oio s GLN 136 N -3.11 3.57 -0.07 0.00 0.74 -1.26 -0.90 119.66 118.63 1oio s GLN 136 Ca 0.11 -0.51 0.05 0.00 0.05 0.00 0.00 55.36 55.06 1oio s GLN 136 Cb -0.00 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 1oio s GLN 136 CO -0.01 0.30 -0.25 0.71 -0.55 0.00 0.00 175.29 175.50 1oio s TYR 137 N 0.20 2.47 -0.09 1.67 1.51 0.67 -4.96 117.35 118.82 1oio s TYR 137 Ca -0.02 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1oio s TYR 137 Cb -0.14 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1oio s TYR 137 CO 0.03 -0.28 -0.15 0.45 -1.11 0.00 0.00 175.55 174.49 1oio s SER 138 N 0.00 3.91 -0.07 2.29 0.15 -1.26 0.97 113.70 119.69 1oio s SER 138 Ca -0.09 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.32 1oio s SER 138 Cb -0.15 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1oio s SER 138 CO 0.05 0.25 -0.23 -0.69 1.20 0.00 0.00 173.24 173.82 1oio s VAL 139 N -0.15 2.23 0.54 4.45 1.01 -0.26 -5.01 120.40 123.21 1oio s VAL 139 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1oio s VAL 139 Cb -0.14 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1oio s VAL 139 CO 0.03 0.57 0.78 -1.10 0.00 0.00 0.00 175.10 175.38 1oio s GLN 140 N -0.13 2.68 0.12 2.72 -0.21 -1.26 -2.07 119.66 121.51 1oio s GLN 140 Ca -0.04 -0.59 -0.33 0.00 0.02 0.00 0.00 55.36 54.42 1oio s GLN 140 Cb -0.14 -2.46 -0.13 0.00 1.00 0.00 0.00 33.01 31.28 1oio s GLN 140 CO 0.04 -0.64 1.70 1.17 -2.12 0.00 0.00 175.29 175.44 1oio n LYS 141 N -2.34 2.35 -3.94 2.91 4.81 -1.26 -4.54 118.16 116.16 1oio n LYS 141 Ca 0.06 0.85 -0.14 0.00 -0.87 0.00 0.00 58.31 58.21 1oio n LYS 141 Cb 0.59 -2.67 -0.15 0.00 0.02 0.00 0.00 35.03 32.82 1oio n LYS 141 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1oio s THR 142 N 1.82 0.12 0.20 3.15 2.01 -0.83 -4.96 115.64 117.15 1oio s THR 142 Ca 0.81 -0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 1oio s THR 142 Cb -0.62 -0.14 -0.11 0.00 0.01 0.00 0.00 72.50 71.63 1oio s THR 142 CO 0.39 0.06 1.61 -0.44 -0.69 0.00 0.00 174.62 175.56 1oio s SER 143 N 0.28 6.50 -0.18 3.53 0.01 -1.26 0.13 113.70 122.71 1oio s SER 143 Ca -0.02 2.75 -0.16 0.00 1.31 0.00 0.00 55.95 59.82 1oio s SER 143 Cb -0.04 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 1oio s SER 143 CO -0.01 -0.87 -0.31 -0.38 0.41 0.00 0.00 173.24 172.08 1oio n ILE 144 N 3.61 1.48 0.00 1.44 5.41 0.25 -4.63 119.36 126.92 1oio n ILE 144 Ca 0.13 0.14 0.00 0.00 1.00 0.00 0.00 62.75 64.02 1oio n ILE 144 Cb 0.37 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1oio n ILE 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oio n GLY 145 N 1.49 -0.64 3.34 7.39 0.00 -1.10 -0.91 105.19 114.75 1oio n GLY 145 Ca -0.14 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1oio n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oio s SER 146 N -4.00 0.07 -0.01 1.61 0.01 0.53 -0.64 113.70 111.26 1oio s SER 146 Ca 0.00 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.16 1oio s SER 146 Cb 0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1oio s SER 146 CO 0.00 -0.93 -0.06 -0.63 0.41 0.00 0.00 173.24 172.03 1oio s ILE 147 N -4.06 0.49 0.03 1.44 1.01 -0.59 -0.48 121.20 119.03 1oio s ILE 147 Ca 0.28 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1oio s ILE 147 Cb 0.04 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1oio s ILE 147 CO 0.07 0.16 -0.13 -0.60 0.00 0.00 0.00 174.94 174.44 1oio s ARG 148 N 0.14 0.90 0.45 2.79 3.00 0.08 -1.09 118.95 125.22 1oio s ARG 148 Ca -0.01 -0.68 -0.21 0.00 -1.00 0.00 0.00 55.73 53.82 1oio s ARG 148 Cb -0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 34.95 33.91 1oio s ARG 148 CO -0.00 0.22 1.00 0.00 0.00 0.00 0.00 175.30 176.52 1oio s MET 149 N -0.98 4.05 -0.19 5.12 0.23 -0.06 -0.56 119.30 126.90 1oio s MET 149 Ca 0.01 1.27 -0.04 0.00 -1.03 0.00 0.00 55.69 55.91 1oio s MET 149 Cb -0.07 -2.20 0.06 0.00 -1.53 0.00 0.00 34.83 31.09 1oio s MET 149 CO 0.01 -0.21 0.07 -0.98 -2.03 0.00 0.00 175.02 171.88 1oio s ARG 150 N -3.09 0.36 0.89 3.16 1.70 -0.17 -4.82 118.95 116.99 1oio s ARG 150 Ca 0.63 -0.31 -0.11 0.00 -0.47 0.00 0.00 55.73 55.48 1oio s ARG 150 Cb -0.14 -1.92 0.13 0.00 -0.57 0.00 0.00 34.95 32.45 1oio s ARG 150 CO 0.18 -0.69 1.10 -2.14 -1.08 0.00 0.00 175.30 172.66 1oio s PRO 151 N 1.99 1.28 0.36 3.89 0.02 -1.26 -1.07 135.00 140.21 1oio s PRO 151 Ca 0.01 1.07 -0.13 0.00 0.02 0.00 0.00 61.00 61.97 1oio s PRO 151 Cb -0.17 -1.79 0.04 0.00 0.02 0.00 0.00 34.50 32.60 1oio s PRO 151 CO -0.11 -2.29 0.70 1.52 -0.33 0.00 0.00 177.00 176.49 1oio s TYR 152 N -2.82 0.30 -1.64 6.54 -0.85 -0.77 -4.85 117.35 113.26 1oio s TYR 152 Ca 0.64 -0.85 -0.03 0.00 -0.52 0.00 0.00 57.07 56.30 1oio s TYR 152 Cb -0.19 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1oio s TYR 152 CO 0.58 -1.43 0.42 0.09 -1.52 0.00 0.00 175.55 173.69 1oio n ASN 153 N -1.29 -6.12 0.00 -0.18 4.13 -1.26 -1.33 115.26 109.22 1oio n ASN 153 Ca -0.06 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1oio n ASN 153 Cb 0.60 -4.99 0.00 0.00 -1.54 0.00 0.00 39.78 33.86 1oio n ASN 153 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oio n GLY 154 N -1.38 1.53 3.73 7.41 0.00 -1.26 -4.98 105.19 110.24 1oio n GLY 154 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1oio n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oio s SER 155 N -3.24 3.93 -0.01 1.61 0.01 -0.44 -5.03 113.70 110.53 1oio s SER 155 Ca 0.00 2.05 0.02 0.00 1.31 0.00 0.00 55.95 59.34 1oio s SER 155 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1oio s SER 155 CO 0.00 -2.42 -0.08 -0.55 0.41 0.00 0.00 173.24 170.60 1oio s SER 156 N -2.85 0.99 0.47 2.44 0.15 -1.26 -4.39 113.70 109.25 1oio s SER 156 Ca 0.66 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 57.43 1oio s SER 156 Cb -0.21 -0.19 0.73 0.00 -1.71 0.00 0.00 66.02 64.64 1oio s SER 156 CO 0.54 0.07 1.75 0.00 1.20 0.00 0.00 173.24 176.80 1oio h ALA 157 N 6.19 1.00 -0.87 5.45 0.00 -1.96 -3.46 119.26 125.62 1oio h ALA 157 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1oio h ALA 157 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1oio h ALA 157 CO 0.49 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1oio n GLY 158 N 0.71 3.71 1.04 0.00 0.00 -1.26 -0.90 105.19 108.48 1oio n GLY 158 Ca 0.03 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1oio n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oio n SER 159 N 5.78 3.45 -4.77 1.61 3.41 -1.26 -5.01 113.62 116.83 1oio n SER 159 Ca 0.00 -1.98 -0.37 0.00 -0.26 0.00 0.00 58.87 56.26 1oio n SER 159 Cb 0.00 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1oio n SER 159 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1oio s VAL 160 N -1.06 2.99 -0.00 -3.33 1.01 -0.08 -4.94 120.40 114.99 1oio s VAL 160 Ca 0.37 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1oio s VAL 160 Cb 0.20 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 1oio s VAL 160 CO 0.26 -0.03 1.68 -1.58 0.00 0.00 0.00 175.10 175.43 1oio s GLN 161 N -2.80 4.19 -0.06 2.72 0.74 -1.26 -4.88 119.66 118.30 1oio s GLN 161 Ca 0.66 2.27 0.18 0.00 0.05 0.00 0.00 55.36 58.53 1oio s GLN 161 Cb -0.29 -3.86 -0.23 0.00 1.10 0.00 0.00 33.01 29.73 1oio s GLN 161 CO 0.35 -0.81 0.45 0.25 -0.55 0.00 0.00 175.29 174.99 1oio n THR 162 N 5.20 0.99 -4.78 -0.34 -2.24 -1.26 -4.74 114.28 107.12 1oio n THR 162 Ca 0.17 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 1oio n THR 162 Cb 0.42 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.04 1oio n THR 162 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1oio s THR 163 N -2.89 2.48 0.16 4.28 2.01 -1.26 -0.89 115.64 119.53 1oio s THR 163 Ca -0.07 -1.28 0.07 0.00 0.31 0.00 0.00 61.69 60.72 1oio s THR 163 Cb 0.09 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1oio s THR 163 CO 0.84 0.35 -0.14 0.68 -0.69 0.00 0.00 174.62 175.66 1oio s VAL 164 N -0.86 1.53 0.30 3.82 -7.23 -0.25 -4.92 120.40 112.78 1oio s VAL 164 Ca 0.13 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.44 1oio s VAL 164 Cb -0.10 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1oio s VAL 164 CO 0.04 -0.50 -0.05 0.20 -0.31 0.00 0.00 175.10 174.47 1oio s ASN 165 N -2.88 4.14 -0.01 4.85 0.01 0.25 -1.54 114.94 119.76 1oio s ASN 165 Ca 0.16 -0.89 0.02 0.00 -0.71 0.00 0.00 52.86 51.43 1oio s ASN 165 Cb -0.03 -0.57 -0.00 0.00 0.41 0.00 0.00 41.25 41.06 1oio s ASN 165 CO 0.05 -0.09 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.12 1oio s PHE 166 N -2.46 0.67 -0.03 2.20 0.40 0.18 -1.48 117.98 117.47 1oio s PHE 166 Ca 0.32 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.56 1oio s PHE 166 Cb -0.03 -0.47 -0.01 0.00 0.51 0.00 0.00 43.02 43.03 1oio s PHE 166 CO 0.18 -0.04 -0.15 0.45 0.70 0.00 0.00 175.22 176.36 1oio s SER 167 N 0.03 1.88 -0.10 1.36 0.15 -0.10 -0.58 113.70 116.34 1oio s SER 167 Ca -0.00 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.07 1oio s SER 167 Cb -0.05 -0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1oio s SER 167 CO -0.00 0.15 0.95 -0.22 1.20 0.00 0.00 173.24 175.32 1oio s LEU 168 N -0.08 4.26 0.55 3.45 2.96 0.12 -0.39 118.68 129.54 1oio s LEU 168 Ca -0.00 1.46 -0.18 0.00 -0.22 0.00 0.00 54.13 55.19 1oio s LEU 168 Cb -0.09 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1oio s LEU 168 CO 0.01 -0.39 1.07 0.20 -1.32 0.00 0.00 176.35 175.92 1oio s ASN 169 N 1.07 5.92 0.51 3.68 0.01 -0.78 -1.97 114.94 123.39 1oio s ASN 169 Ca 0.46 1.94 -0.23 0.00 -0.71 0.00 0.00 52.86 54.32 1oio s ASN 169 Cb -0.18 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 1oio s ASN 169 CO 0.18 -1.08 1.32 -2.84 -1.51 0.00 0.00 177.10 173.18 1oio s PRO 170 N -3.63 3.37 0.20 -0.60 0.02 -1.26 -4.77 135.00 128.32 1oio s PRO 170 Ca 0.67 2.14 -0.10 0.00 0.02 0.00 0.00 61.00 63.73 1oio s PRO 170 Cb -0.18 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.98 1oio s PRO 170 CO 0.29 -0.98 0.36 -0.59 -0.33 0.00 0.00 177.00 175.75 1oio s PHE 171 N -1.35 0.42 0.00 6.54 -0.12 -0.88 0.55 117.98 123.14 1oio s PHE 171 Ca 0.68 -0.76 0.06 0.00 -0.05 0.00 0.00 56.93 56.86 1oio s PHE 171 Cb -0.38 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.01 1oio s PHE 171 CO 0.46 -0.83 -0.19 0.99 -0.05 0.00 0.00 175.22 175.60 1oio s THR 172 N -4.00 1.50 -0.15 -4.49 2.01 -0.10 -1.11 115.64 109.30 1oio s THR 172 Ca 0.21 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1oio s THR 172 Cb 0.02 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1oio s THR 172 CO 0.04 0.35 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.45 1oio s LEU 173 N -0.63 2.72 -0.66 4.42 1.02 0.27 -0.68 118.68 125.14 1oio s LEU 173 Ca 0.07 -0.36 -0.09 0.00 0.02 0.00 0.00 54.13 53.76 1oio s LEU 173 Cb -0.08 -1.63 0.17 0.00 0.02 0.00 0.00 46.19 44.67 1oio s LEU 173 CO -0.00 0.11 0.54 0.20 0.02 0.00 0.00 176.35 177.22 1oio s ASN 174 N 0.68 5.97 -0.24 2.29 0.01 0.41 -0.24 114.94 123.82 1oio s ASN 174 Ca -0.06 -2.52 -0.20 0.00 -0.71 0.00 0.00 52.86 49.37 1oio s ASN 174 Cb -0.15 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 1oio s ASN 174 CO 0.02 -0.55 0.61 -0.62 -1.51 0.00 0.00 177.10 175.06 1oio s ASP 175 N 1.85 6.57 -0.22 -1.22 2.15 -0.08 -2.76 116.67 122.98 1oio s ASP 175 Ca 0.14 0.70 -0.09 0.00 0.43 0.00 0.00 52.55 53.73 1oio s ASP 175 Cb -0.18 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1oio s ASP 175 CO -0.04 -0.34 0.11 -0.89 -0.17 0.00 0.00 175.17 173.84 1oio s THR 176 N 2.36 5.04 -0.16 1.71 2.01 -0.34 -1.00 115.64 125.26 1oio s THR 176 Ca 0.26 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 1oio s THR 176 Cb -0.16 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1oio s THR 176 CO 0.09 0.39 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1oio s VAL 177 N 0.82 3.81 -0.31 3.82 1.01 -1.26 -1.72 120.40 126.57 1oio s VAL 177 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1oio s VAL 177 Cb -0.13 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1oio s VAL 177 CO 0.02 0.49 0.58 0.35 0.00 0.00 0.00 175.10 176.54