#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1red s ILE 3 N 0.00 0.83 0.50 12.58 -4.36 -0.88 -5.01 121.20 124.86 1red s ILE 3 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1red s ILE 3 Cb 0.00 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1red s ILE 3 CO 0.00 0.00 0.72 -1.10 0.24 0.00 0.00 174.94 174.80 1red s GLN 4 N -3.96 2.79 0.40 0.37 -1.52 -1.26 -4.50 119.66 111.98 1red s GLN 4 Ca 0.37 -0.68 -0.25 0.00 -1.95 0.00 0.00 55.36 52.86 1red s GLN 4 Cb 0.08 -2.54 -0.12 0.00 -0.22 0.00 0.00 33.01 30.22 1red s GLN 4 CO 0.15 -0.49 0.92 -0.35 -0.25 0.00 0.00 175.29 175.27 1red n PRO 5 N -2.19 1.18 0.00 2.91 -0.04 -1.26 -4.93 135.00 130.67 1red n PRO 5 Ca 0.05 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1red n PRO 5 Cb 0.59 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1red n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1red n GLY 6 N 1.31 -0.47 3.39 0.55 0.00 -0.23 -4.98 105.19 104.76 1red n GLY 6 Ca 0.10 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 1red n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1red s THR 7 N -2.00 1.10 -5.00 2.61 -4.23 -1.26 -1.39 115.64 105.47 1red s THR 7 Ca 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1red s THR 7 Cb 0.00 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1red s THR 7 CO 0.00 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1red n GLY 8 N -0.56 -0.44 3.26 3.99 0.00 -0.98 -4.99 105.19 105.47 1red n GLY 8 Ca -0.03 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1red n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1red s TYR 9 N -2.98 2.08 -0.09 1.61 2.02 -1.26 -0.75 117.35 117.97 1red s TYR 9 Ca 0.00 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1red s TYR 9 Cb 0.00 -1.34 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 1red s TYR 9 CO 0.00 -0.05 0.16 1.21 -1.57 0.00 0.00 175.55 175.30 1red s ASN 10 N -0.50 0.82 -1.48 2.29 3.84 0.63 -4.89 114.94 115.65 1red s ASN 10 Ca 0.08 0.28 -0.04 0.00 0.21 0.00 0.00 52.86 53.39 1red s ASN 10 Cb -0.09 0.27 0.02 0.00 -0.55 0.00 0.00 41.25 40.89 1red s ASN 10 CO -0.01 -0.25 0.38 0.59 -2.79 0.00 0.00 177.10 175.03 1red n ASN 11 N 5.32 -5.31 0.00 -4.21 3.02 -1.26 -2.06 115.26 110.76 1red n ASN 11 Ca -0.05 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1red n ASN 11 Cb 0.50 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 1red n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1red n GLY 12 N -1.26 2.46 3.64 7.41 0.00 -1.26 -4.61 105.19 111.57 1red n GLY 12 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1red n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1red s TYR 13 N -2.69 2.81 0.33 1.61 1.51 -0.88 -5.10 117.35 114.95 1red s TYR 13 Ca 0.00 -0.14 -0.22 0.00 -1.01 0.00 0.00 57.07 55.70 1red s TYR 13 Cb 0.00 -1.39 -0.10 0.00 -0.11 0.00 0.00 41.96 40.36 1red s TYR 13 CO 0.00 0.50 0.88 0.12 -1.11 0.00 0.00 175.55 175.93 1red s PHE 14 N -1.59 3.55 0.05 2.71 5.36 -0.71 -0.27 117.98 127.08 1red s PHE 14 Ca 0.26 1.60 0.01 0.00 -0.96 0.00 0.00 56.93 57.84 1red s PHE 14 Cb -0.10 -2.80 -0.03 0.00 -0.34 0.00 0.00 43.02 39.75 1red s PHE 14 CO 0.17 0.14 -0.06 1.52 -1.46 0.00 0.00 175.22 175.54 1red s TYR 15 N -1.78 0.60 -0.08 10.12 -0.85 0.07 -0.37 117.35 125.05 1red s TYR 15 Ca 0.52 -0.68 -0.03 0.00 -0.52 0.00 0.00 57.07 56.36 1red s TYR 15 Cb -0.15 -0.37 0.04 0.00 0.38 0.00 0.00 41.96 41.86 1red s TYR 15 CO 0.20 -0.17 0.17 0.45 -1.52 0.00 0.00 175.55 174.68 1red s SER 16 N -2.06 0.17 -0.07 -0.18 0.15 -0.86 -2.31 113.70 108.55 1red s SER 16 Ca -0.04 0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.99 1red s SER 16 Cb -0.04 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1red s SER 16 CO -0.03 -0.19 -0.10 -0.47 1.20 0.00 0.00 173.24 173.65 1red s TYR 17 N 1.63 1.34 -0.01 3.44 5.04 -0.49 -1.76 117.35 126.54 1red s TYR 17 Ca -0.05 -0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 54.05 1red s TYR 17 Cb -0.12 -1.02 0.00 0.00 0.35 0.00 0.00 41.96 41.18 1red s TYR 17 CO -0.06 -0.28 0.07 -0.46 -1.34 0.00 0.00 175.55 173.47 1red s TRP 18 N 0.81 0.00 0.07 4.97 -0.00 -0.05 -1.07 118.94 123.67 1red s TRP 18 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 56.10 55.90 1red s TRP 18 Cb -0.15 -0.03 -0.01 0.00 -0.00 0.00 0.00 33.47 33.28 1red s TRP 18 CO 0.02 -0.12 0.16 0.54 -0.00 0.00 0.00 176.95 177.55 1red s ASN 19 N -0.54 0.14 0.07 5.86 2.20 -1.26 -0.60 114.94 120.82 1red s ASN 19 Ca -0.06 -0.61 0.23 0.00 -0.94 0.00 0.00 52.86 51.48 1red s ASN 19 Cb -0.04 0.30 0.92 0.00 -2.00 0.00 0.00 41.25 40.43 1red s ASN 19 CO 0.00 -0.66 1.71 -0.90 -2.94 0.00 0.00 177.10 174.32 1red n ASP 20 N 0.20 0.23 0.00 3.54 5.75 0.09 -4.88 116.55 121.48 1red n ASP 20 Ca -0.16 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1red n ASP 20 Cb 0.61 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1red n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1red n GLY 21 N 0.71 1.96 3.77 6.12 0.00 -1.26 -5.04 105.19 111.45 1red n GLY 21 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1red n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1red s HIS 22 N -1.91 2.76 0.00 1.61 5.04 -1.26 -5.04 115.29 116.49 1red s HIS 22 Ca 0.00 1.53 0.00 0.00 -1.54 0.00 0.00 55.06 55.05 1red s HIS 22 Cb 0.00 -3.39 0.00 0.00 0.04 0.00 0.00 32.58 29.23 1red s HIS 22 CO 0.00 -1.66 0.00 0.41 -2.34 0.00 0.00 174.74 171.15 1red n GLY 23 N 0.40 -0.40 1.17 1.59 0.00 -1.26 -4.58 105.19 102.12 1red n GLY 23 Ca 0.09 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1red n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1red n GLY 24 N 5.00 0.74 3.21 -0.02 0.00 -1.26 -3.69 105.19 109.17 1red n GLY 24 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1red n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1red s VAL 25 N -2.21 1.76 -0.22 1.61 1.01 -1.26 -0.36 120.40 120.73 1red s VAL 25 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1red s VAL 25 Cb 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.95 1red s VAL 25 CO 0.00 0.50 -0.03 -0.89 0.00 0.00 0.00 175.10 174.68 1red s THR 26 N -0.09 1.20 -0.18 3.92 2.01 0.55 -5.00 115.64 118.05 1red s THR 26 Ca -0.03 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.92 1red s THR 26 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1red s THR 26 CO 0.03 -0.12 0.05 -0.47 -0.69 0.00 0.00 174.62 173.42 1red s TYR 27 N 1.55 3.22 -0.08 4.92 6.14 -1.26 -1.27 117.35 130.58 1red s TYR 27 Ca -0.04 0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.70 1red s TYR 27 Cb -0.18 -2.06 0.02 0.00 0.42 0.00 0.00 41.96 40.16 1red s TYR 27 CO -0.07 0.13 -0.07 0.99 0.64 0.00 0.00 175.55 177.18 1red s THR 28 N 0.36 0.82 -0.07 4.34 2.01 0.31 -2.07 115.64 121.34 1red s THR 28 Ca 0.02 -0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.52 1red s THR 28 Cb -0.13 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1red s THR 28 CO 0.00 0.31 0.91 0.20 -0.69 0.00 0.00 174.62 175.36 1red s ASN 29 N 1.29 7.19 0.00 3.53 0.01 -1.26 -0.72 114.94 124.98 1red s ASN 29 Ca -0.04 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 53.56 1red s ASN 29 Cb -0.14 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.01 1red s ASN 29 CO -0.03 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1red n GLY 30 N 3.09 2.94 3.76 0.66 0.00 0.01 -4.76 105.19 110.88 1red n GLY 30 Ca 0.05 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 1red n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1red s PRO 31 N -1.97 3.47 6.90 1.61 0.04 -1.26 -4.43 135.00 139.36 1red s PRO 31 Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1red s PRO 31 Cb 0.00 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1red s PRO 31 CO 0.00 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1red n GLY 32 N 0.61 3.46 1.73 0.56 0.00 -1.26 -1.71 105.19 108.58 1red n GLY 32 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1red n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1red n GLY 33 N 0.00 3.16 3.89 -0.02 0.00 -1.26 -4.64 105.19 106.31 1red n GLY 33 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1red n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1red s GLN 34 N -2.43 3.65 -0.01 1.61 0.74 -0.70 -0.64 119.66 121.89 1red s GLN 34 Ca 0.43 -0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.70 1red s GLN 34 Cb 0.34 -2.91 0.02 0.00 1.10 0.00 0.00 33.01 31.55 1red s GLN 34 CO 0.11 0.51 0.25 -0.59 -0.55 0.00 0.00 175.29 175.02 1red s PHE 35 N -1.55 -0.10 0.02 1.67 -0.71 0.10 -0.81 117.98 116.59 1red s PHE 35 Ca 0.37 0.12 0.05 0.00 -1.04 0.00 0.00 56.93 56.44 1red s PHE 35 Cb -0.13 0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.71 1red s PHE 35 CO 0.22 -0.35 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.48 1red s SER 36 N -1.34 1.77 -0.05 1.98 0.01 0.10 -1.09 113.70 115.08 1red s SER 36 Ca -0.14 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.76 1red s SER 36 Cb -0.06 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1red s SER 36 CO 0.03 0.12 -0.04 -0.69 0.41 0.00 0.00 173.24 173.07 1red s VAL 37 N -0.60 0.53 -0.11 3.43 1.01 -0.38 -0.53 120.40 123.76 1red s VAL 37 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1red s VAL 37 Cb -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1red s VAL 37 CO 0.00 0.23 -0.13 0.20 0.00 0.00 0.00 175.10 175.41 1red s ASN 38 N 1.00 2.28 0.03 3.32 0.01 -0.39 -0.89 114.94 120.30 1red s ASN 38 Ca -0.10 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 51.65 1red s ASN 38 Cb -0.14 -1.00 -0.02 0.00 0.41 0.00 0.00 41.25 40.50 1red s ASN 38 CO -0.00 -0.02 0.01 -1.66 -1.51 0.00 0.00 177.10 173.92 1red s TRP 39 N 1.13 0.29 -0.24 2.20 -2.14 -0.54 -0.33 118.94 119.31 1red s TRP 39 Ca -0.04 -0.63 -0.10 0.00 2.66 0.00 0.00 56.10 57.99 1red s TRP 39 Cb -0.14 -0.22 0.10 0.00 -3.10 0.00 0.00 33.47 30.11 1red s TRP 39 CO -0.03 -0.28 0.54 -1.54 -2.66 0.00 0.00 176.95 172.99 1red s SER 40 N -1.95 -0.72 -1.38 -2.66 1.04 0.52 -0.90 113.70 107.65 1red s SER 40 Ca -0.08 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 1red s SER 40 Cb -0.04 1.61 0.02 0.00 0.10 0.00 0.00 66.02 67.71 1red s SER 40 CO -0.04 -0.22 0.76 0.59 0.98 0.00 0.00 173.24 175.31 1red n ASN 41 N 5.07 -2.12 -2.85 7.02 3.02 -0.33 -4.46 115.26 120.60 1red n ASN 41 Ca -0.14 -0.82 -0.12 0.00 -0.03 0.00 0.00 54.58 53.46 1red n ASN 41 Cb 0.52 -3.92 0.08 0.00 -0.61 0.00 0.00 39.78 35.85 1red n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1red n SER 42 N -2.99 0.11 0.00 6.41 3.41 -0.66 -4.58 113.62 115.32 1red n SER 42 Ca -0.20 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1red n SER 42 Cb 0.64 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1red n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1red n GLY 43 N 1.31 3.54 3.70 5.00 0.00 -1.24 -3.71 105.19 113.79 1red n GLY 43 Ca 0.07 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1red n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1red s ASN 44 N 0.28 6.16 0.10 1.61 3.04 -1.26 -0.82 114.94 124.05 1red s ASN 44 Ca 0.00 0.17 -0.09 0.00 0.04 0.00 0.00 52.86 52.98 1red s ASN 44 Cb 0.00 -2.10 0.00 0.00 -1.54 0.00 0.00 41.25 37.61 1red s ASN 44 CO 0.00 0.13 0.22 0.72 -3.04 0.00 0.00 177.10 175.12 1red s PHE 45 N 0.69 0.14 -0.18 0.43 -0.12 -0.73 -0.73 117.98 117.47 1red s PHE 45 Ca 0.08 -0.56 -0.08 0.00 -0.05 0.00 0.00 56.93 56.32 1red s PHE 45 Cb -0.12 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.31 1red s PHE 45 CO 0.01 -0.57 0.42 0.54 -0.05 0.00 0.00 175.22 175.57 1red s VAL 46 N -3.86 -0.28 -0.01 -2.49 0.11 0.23 -1.45 120.40 112.64 1red s VAL 46 Ca 0.06 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.08 1red s VAL 46 Cb 0.04 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1red s VAL 46 CO -0.10 0.05 0.33 -0.83 -3.33 0.00 0.00 175.10 171.22 1red s GLY 47 N 1.91 -0.17 0.00 6.54 0.00 -0.77 -0.87 107.32 113.96 1red s GLY 47 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1red s GLY 47 CO -0.13 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1red n GLY 48 N 1.20 -0.47 3.52 0.20 0.00 -0.72 -1.11 105.19 107.81 1red n GLY 48 Ca -0.21 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1red n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1red s LYS 49 N -2.00 1.88 0.00 1.61 1.02 -1.15 -2.03 119.74 119.07 1red s LYS 49 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1red s LYS 49 Cb 0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1red s LYS 49 CO 0.00 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 1red n GLY 50 N 0.08 -0.60 3.21 -3.33 0.00 0.50 -1.32 105.19 103.72 1red n GLY 50 Ca -0.11 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1red n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1red s TRP 51 N -0.42 1.26 -0.26 1.61 0.51 0.37 -1.73 118.94 120.28 1red s TRP 51 Ca 0.00 -0.58 -0.01 0.00 -2.12 0.00 0.00 56.10 53.38 1red s TRP 51 Cb 0.00 -0.67 0.13 0.00 -0.81 0.00 0.00 33.47 32.12 1red s TRP 51 CO 0.00 0.08 0.32 -1.14 -0.51 0.00 0.00 176.95 175.71 1red s GLN 52 N -2.63 0.32 0.59 4.98 2.00 -1.26 -0.85 119.66 122.81 1red s GLN 52 Ca 0.07 0.17 -0.05 0.00 -2.00 0.00 0.00 55.36 53.55 1red s GLN 52 Cb -0.05 -0.67 0.02 0.00 0.80 0.00 0.00 33.01 33.11 1red s GLN 52 CO 0.02 -0.84 0.88 -1.25 -0.50 0.00 0.00 175.29 173.61 1red s PRO 53 N 2.44 2.82 0.81 1.67 0.04 -1.26 -5.04 135.00 136.48 1red s PRO 53 Ca 0.10 -0.13 -0.07 0.00 0.04 0.00 0.00 61.00 60.94 1red s PRO 53 Cb -0.14 -2.30 0.15 0.00 0.04 0.00 0.00 34.50 32.24 1red s PRO 53 CO -0.23 -0.72 1.11 0.20 0.04 0.00 0.00 177.00 177.40 1red s GLY 54 N -4.33 1.76 0.19 0.56 0.00 -0.19 -4.88 107.32 100.44 1red s GLY 54 Ca 0.54 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.82 1red s GLY 54 CO 0.44 -0.86 -0.09 -0.51 0.00 0.00 0.00 173.10 172.08 1red s THR 55 N -3.42 1.35 -2.05 0.90 -4.23 -1.26 -4.79 115.64 102.15 1red s THR 55 Ca 0.69 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1red s THR 55 Cb -0.05 -2.06 0.30 0.00 1.34 0.00 0.00 72.50 72.03 1red s THR 55 CO 0.47 -0.58 1.36 0.29 -0.54 0.00 0.00 174.62 175.62 1red n LYS 56 N -0.33 1.30 -0.48 3.99 5.02 -1.26 -3.80 118.16 122.60 1red n LYS 56 Ca -0.08 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1red n LYS 56 Cb 0.61 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1red n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1red n ASN 57 N -0.23 0.00 -4.76 4.39 6.94 -1.26 -3.74 115.26 116.61 1red n ASN 57 Ca 0.09 -1.80 -0.40 0.00 -0.02 0.00 0.00 54.58 52.45 1red n ASN 57 Cb 0.14 -0.16 -0.04 0.00 -2.36 0.00 0.00 39.78 37.36 1red n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1red s LYS 58 N 0.00 4.61 -0.37 -3.83 2.20 -1.25 -4.68 119.74 116.42 1red s LYS 58 Ca 0.00 1.83 -0.12 0.00 -0.36 0.00 0.00 55.97 57.32 1red s LYS 58 Cb 0.00 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1red s LYS 58 CO 0.00 0.16 0.23 0.08 -0.36 0.00 0.00 175.35 175.46 1red s VAL 59 N -1.04 4.86 -0.22 4.02 1.01 -1.26 -2.10 120.40 125.67 1red s VAL 59 Ca 0.45 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1red s VAL 59 Cb -0.32 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1red s VAL 59 CO 0.41 -0.17 0.19 -0.63 0.00 0.00 0.00 175.10 174.90 1red s ILE 60 N 1.62 5.34 -0.08 2.22 1.01 -0.23 -4.90 121.20 126.18 1red s ILE 60 Ca 0.04 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 1red s ILE 60 Cb -0.18 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1red s ILE 60 CO 0.08 0.35 0.04 0.20 0.00 0.00 0.00 174.94 175.61 1red s ASN 61 N 0.92 5.54 -0.01 3.58 0.01 -0.25 -0.26 114.94 124.47 1red s ASN 61 Ca 0.09 0.22 -0.14 0.00 -0.71 0.00 0.00 52.86 52.32 1red s ASN 61 Cb -0.13 -1.62 0.02 0.00 0.41 0.00 0.00 41.25 39.93 1red s ASN 61 CO 0.04 0.37 0.30 0.72 -1.51 0.00 0.00 177.10 177.03 1red s PHE 62 N -0.95 -0.17 0.07 2.20 -0.71 -0.45 -1.62 117.98 116.35 1red s PHE 62 Ca 0.15 0.22 -0.26 0.00 -1.04 0.00 0.00 56.93 56.00 1red s PHE 62 Cb -0.12 0.09 0.07 0.00 -1.21 0.00 0.00 43.02 41.85 1red s PHE 62 CO 0.04 -0.40 0.61 -1.54 -1.34 0.00 0.00 175.22 172.59 1red s SER 63 N -1.40 -0.57 0.00 1.98 1.04 -0.80 -0.86 113.70 113.09 1red s SER 63 Ca -0.13 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1red s SER 63 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1red s SER 63 CO 0.04 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1red n GLY 64 N 0.21 0.25 3.34 7.32 0.00 -1.22 -0.61 105.19 114.50 1red n GLY 64 Ca -0.18 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1red n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1red s SER 65 N -4.00 3.48 -0.25 1.61 1.04 -0.46 -4.77 113.70 110.35 1red s SER 65 Ca 0.00 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1red s SER 65 Cb 0.00 -0.94 0.07 0.00 0.10 0.00 0.00 66.02 65.26 1red s SER 65 CO 0.00 0.26 0.03 -0.47 0.98 0.00 0.00 173.24 174.05 1red s TYR 66 N -0.26 1.75 -0.66 5.02 5.04 -1.26 -1.39 117.35 125.59 1red s TYR 66 Ca 0.00 -1.49 0.05 0.00 -2.44 0.00 0.00 57.07 53.20 1red s TYR 66 Cb -0.13 -1.49 0.19 0.00 0.35 0.00 0.00 41.96 40.88 1red s TYR 66 CO 0.03 -0.76 0.52 0.09 -1.34 0.00 0.00 175.55 174.09 1red n ASN 67 N 4.84 2.69 -4.81 4.32 5.03 -0.09 -5.03 115.26 122.21 1red n ASN 67 Ca -0.07 -3.15 -0.34 0.00 0.87 0.00 0.00 54.58 51.90 1red n ASN 67 Cb 0.44 -0.72 -0.05 0.00 -1.02 0.00 0.00 39.78 38.43 1red n ASN 67 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1red s PRO 68 N -1.47 4.01 -0.51 3.52 0.04 -1.26 -1.73 135.00 137.61 1red s PRO 68 Ca 0.29 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.63 1red s PRO 68 Cb 0.01 -2.14 0.22 0.00 0.04 0.00 0.00 34.50 32.63 1red s PRO 68 CO -0.15 -0.23 0.54 -1.71 0.04 0.00 0.00 177.00 175.49 1red n ASN 69 N -0.81 1.38 0.00 6.66 5.15 0.41 -4.92 115.26 123.13 1red n ASN 69 Ca 0.08 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 1red n ASN 69 Cb 0.53 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1red n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1red n GLY 70 N 1.64 0.41 3.63 8.20 0.00 -1.26 -2.47 105.19 115.34 1red n GLY 70 Ca 0.25 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1red n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1red s ASN 71 N -4.00 6.67 -0.11 1.61 3.04 -1.26 -1.67 114.94 119.22 1red s ASN 71 Ca 0.00 1.31 -0.30 0.00 0.04 0.00 0.00 52.86 53.91 1red s ASN 71 Cb 0.00 -2.54 0.11 0.00 -1.54 0.00 0.00 41.25 37.28 1red s ASN 71 CO 0.00 -1.07 0.90 -0.55 -3.04 0.00 0.00 177.10 173.35 1red s SER 72 N 2.88 -0.43 0.11 -4.21 0.15 -1.26 -1.71 113.70 109.22 1red s SER 72 Ca 0.58 0.40 0.06 0.00 0.70 0.00 0.00 55.95 57.68 1red s SER 72 Cb -0.18 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1red s SER 72 CO 0.23 -0.46 -0.15 -0.31 1.20 0.00 0.00 173.24 173.76 1red s TYR 73 N -1.50 1.38 -0.16 3.44 2.02 -0.10 -0.30 117.35 122.13 1red s TYR 73 Ca -0.03 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1red s TYR 73 Cb -0.00 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 1red s TYR 73 CO 0.01 0.12 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.85 1red s LEU 74 N -2.22 1.69 0.22 -1.29 2.96 0.29 -1.09 118.68 119.25 1red s LEU 74 Ca 0.06 -0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 53.16 1red s LEU 74 Cb -0.07 -1.05 0.04 0.00 0.50 0.00 0.00 46.19 45.62 1red s LEU 74 CO 0.03 -0.12 0.81 -0.94 -1.32 0.00 0.00 176.35 174.81 1red s SER 75 N 1.55 -0.24 -0.32 3.68 1.04 -0.59 -1.07 113.70 117.75 1red s SER 75 Ca 0.02 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.72 1red s SER 75 Cb -0.14 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1red s SER 75 CO -0.09 -1.15 0.83 -0.69 0.98 0.00 0.00 173.24 173.12 1red s VAL 76 N -3.66 4.74 0.06 5.02 1.01 -0.44 -0.24 120.40 126.89 1red s VAL 76 Ca 0.11 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.40 1red s VAL 76 Cb -0.04 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1red s VAL 76 CO 0.04 -0.32 -0.26 -0.47 0.00 0.00 0.00 175.10 174.09 1red s TYR 77 N 3.09 2.28 0.01 5.22 5.04 0.77 -1.07 117.35 132.68 1red s TYR 77 Ca 0.34 -0.41 -0.27 0.00 -2.44 0.00 0.00 57.07 54.30 1red s TYR 77 Cb -0.14 -1.34 0.09 0.00 0.35 0.00 0.00 41.96 40.92 1red s TYR 77 CO 0.14 0.16 1.21 0.41 -1.34 0.00 0.00 175.55 176.13 1red n GLY 78 N 1.64 0.29 3.19 8.97 0.00 -1.07 -0.63 105.19 117.57 1red n GLY 78 Ca -0.17 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1red n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1red s TRP 79 N -2.07 1.00 0.10 1.61 0.52 -1.06 -1.71 118.94 117.33 1red s TRP 79 Ca 0.28 -0.89 0.04 0.00 0.02 0.00 0.00 56.10 55.55 1red s TRP 79 Cb -0.01 -0.56 -0.04 0.00 -1.15 0.00 0.00 33.47 31.71 1red s TRP 79 CO 0.00 -0.11 -0.10 0.45 0.02 0.00 0.00 176.95 177.22 1red s SER 80 N -3.08 1.44 0.04 2.95 0.15 -0.15 -1.09 113.70 113.95 1red s SER 80 Ca 0.14 -0.81 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1red s SER 80 Cb 0.05 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1red s SER 80 CO -0.03 -0.27 -0.19 -0.13 1.20 0.00 0.00 173.24 173.82 1red s ARG 81 N -2.79 1.33 -0.78 5.44 0.52 0.46 -1.86 118.95 121.26 1red s ARG 81 Ca 0.05 -0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1red s ARG 81 Cb -0.03 -1.41 0.00 0.00 0.52 0.00 0.00 34.95 34.04 1red s ARG 81 CO -0.00 0.36 0.65 0.09 0.02 0.00 0.00 175.30 176.42 1red n ASN 82 N 1.95 -6.26 -4.87 0.23 3.02 -1.26 -0.74 115.26 107.32 1red n ASN 82 Ca -0.17 -0.52 -0.31 0.00 -0.03 0.00 0.00 54.58 53.55 1red n ASN 82 Cb 0.54 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1red n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1red s PRO 83 N -3.99 3.65 -0.33 3.52 0.04 -1.26 -3.68 135.00 132.95 1red s PRO 83 Ca 0.01 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1red s PRO 83 Cb -0.00 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1red s PRO 83 CO 0.83 -0.45 1.21 -1.17 0.04 0.00 0.00 177.00 177.47 1red s LEU 84 N -4.90 3.86 -0.01 -3.56 2.96 -1.26 -4.52 118.68 111.26 1red s LEU 84 Ca 0.54 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1red s LEU 84 Cb -0.11 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1red s LEU 84 CO 0.48 -1.05 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.80 1red s ILE 85 N 4.19 0.33 -0.15 6.68 -1.09 -0.78 -3.77 121.20 126.61 1red s ILE 85 Ca 0.52 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1red s ILE 85 Cb -0.14 -0.30 -0.01 0.00 -1.58 0.00 0.00 42.46 40.43 1red s ILE 85 CO 0.22 0.11 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.22 1red s GLU 86 N 0.08 3.37 0.12 2.79 2.12 -0.79 -0.98 118.70 125.42 1red s GLU 86 Ca -0.00 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.72 1red s GLU 86 Cb -0.04 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1red s GLU 86 CO -0.00 0.12 -0.16 1.52 -0.54 0.00 0.00 175.26 176.19 1red s TYR 87 N 0.59 1.56 -0.02 5.30 -0.85 -0.69 -0.83 117.35 122.41 1red s TYR 87 Ca -0.07 -0.49 0.01 0.00 -0.52 0.00 0.00 57.07 55.99 1red s TYR 87 Cb -0.15 -0.82 0.02 0.00 0.38 0.00 0.00 41.96 41.38 1red s TYR 87 CO 0.03 0.19 -0.01 0.71 -1.52 0.00 0.00 175.55 174.96 1red s TYR 88 N -1.82 0.27 -0.53 -3.49 1.51 -0.08 -2.61 117.35 110.60 1red s TYR 88 Ca 0.09 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1red s TYR 88 Cb -0.07 -0.32 0.14 0.00 -0.11 0.00 0.00 41.96 41.60 1red s TYR 88 CO 0.04 -0.09 0.29 0.42 -1.11 0.00 0.00 175.55 175.10 1red s ILE 89 N 0.66 2.45 -0.18 2.71 1.01 -0.24 -1.03 121.20 126.59 1red s ILE 89 Ca -0.07 -3.34 -0.29 0.00 0.00 0.00 0.00 60.65 56.95 1red s ILE 89 Cb -0.10 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 1red s ILE 89 CO -0.01 -0.84 1.23 -0.69 0.00 0.00 0.00 174.94 174.62 1red s VAL 90 N -0.35 4.35 -0.12 2.92 1.01 0.61 -1.33 120.40 127.48 1red s VAL 90 Ca 0.18 1.63 0.19 0.00 0.00 0.00 0.00 61.98 63.98 1red s VAL 90 Cb -0.23 -4.05 -0.27 0.00 0.00 0.00 0.00 36.38 31.83 1red s VAL 90 CO -0.02 -0.14 0.34 -0.62 0.00 0.00 0.00 175.10 174.65 1red n GLU 91 N 6.56 0.67 -3.56 2.72 -0.58 -0.24 -1.12 120.64 125.09 1red n GLU 91 Ca 0.14 -0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.67 1red n GLU 91 Cb 0.45 -1.56 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 1red n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1red s ASN 92 N -5.15 -0.65 0.12 1.62 3.84 -1.07 -1.82 114.94 111.83 1red s ASN 92 Ca -0.08 0.90 -0.13 0.00 0.21 0.00 0.00 52.86 53.76 1red s ASN 92 Cb 0.10 0.79 0.02 0.00 -0.55 0.00 0.00 41.25 41.60 1red s ASN 92 CO 0.86 -0.47 0.33 0.72 -2.79 0.00 0.00 177.10 175.75 1red s PHE 93 N -0.69 -0.03 0.00 0.43 -0.12 -1.26 -0.54 117.98 115.76 1red s PHE 93 Ca -0.07 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1red s PHE 93 Cb -0.02 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.51 1red s PHE 93 CO 0.06 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 174.98 1red n GLY 94 N -0.18 0.61 0.01 1.99 0.00 0.59 -4.89 105.19 103.33 1red n GLY 94 Ca -0.15 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1red n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1red n THR 95 N 0.00 0.10 -5.11 2.61 -2.24 -0.67 -4.80 114.28 104.17 1red n THR 95 Ca 0.00 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 1red n THR 95 Cb 0.00 -0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 67.54 1red n THR 95 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1red s TYR 96 N -3.01 2.35 -0.33 4.78 5.04 -1.26 -4.97 117.35 119.94 1red s TYR 96 Ca 0.13 -0.93 -0.28 0.00 -2.44 0.00 0.00 57.07 53.56 1red s TYR 96 Cb 0.18 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.92 1red s TYR 96 CO 0.53 -0.38 1.02 1.21 -1.34 0.00 0.00 175.55 176.60 1red s ASN 97 N 0.35 6.85 0.51 4.32 3.84 -1.26 -4.81 114.94 124.75 1red s ASN 97 Ca -0.17 0.92 0.34 0.00 0.21 0.00 0.00 52.86 54.16 1red s ASN 97 Cb -0.17 -2.52 1.87 0.00 -0.55 0.00 0.00 41.25 39.88 1red s ASN 97 CO 0.08 -0.86 2.05 1.55 -2.79 0.00 0.00 177.10 177.13 1red h PRO 98 N 8.19 0.00 -0.02 0.43 0.13 -1.98 -2.11 132.00 136.65 1red h PRO 98 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1red h PRO 98 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1red h PRO 98 CO 1.01 0.00 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.63 1red n SER 99 N -2.70 1.63 -4.67 1.44 3.41 -1.26 -4.85 113.62 106.61 1red n SER 99 Ca -0.02 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 1red n SER 99 Cb 0.05 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1red n SER 99 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1red s THR 100 N -2.05 3.18 0.00 6.66 2.01 -0.79 -1.83 115.64 122.82 1red s THR 100 Ca 0.36 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1red s THR 100 Cb 0.21 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1red s THR 100 CO 0.35 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1red n GLY 101 N 4.16 1.25 3.93 4.40 0.00 -1.26 -5.05 105.19 112.62 1red n GLY 101 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1red n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1red s ALA 102 N -2.29 3.60 -0.19 4.61 0.00 -0.76 -5.03 121.76 121.70 1red s ALA 102 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 1red s ALA 102 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1red s ALA 102 CO 0.00 -0.16 0.59 0.95 0.00 0.00 0.00 175.76 177.14 1red s THR 103 N -2.48 5.05 0.08 0.00 -4.23 -0.60 -4.87 115.64 108.59 1red s THR 103 Ca 0.43 1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 61.76 1red s THR 103 Cb -0.10 -3.91 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 1red s THR 103 CO 0.39 0.15 1.11 -0.75 -0.54 0.00 0.00 174.62 174.98 1red s LYS 104 N 1.71 4.52 -0.09 3.99 2.20 -1.26 -1.34 119.74 129.47 1red s LYS 104 Ca 0.28 1.66 0.13 0.00 -0.36 0.00 0.00 55.97 57.67 1red s LYS 104 Cb -0.16 -3.36 -0.18 0.00 -1.51 0.00 0.00 37.83 32.62 1red s LYS 104 CO 0.11 -0.10 0.15 1.28 -0.36 0.00 0.00 175.35 176.42 1red n LEU 105 N 3.47 0.00 0.00 5.43 4.77 0.56 -4.97 117.00 126.26 1red n LEU 105 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1red n LEU 105 Cb 0.48 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1red n LEU 105 CO 0.54 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1red n GLY 106 N 2.01 -0.52 3.00 -0.72 0.00 -1.21 -5.01 105.19 102.73 1red n GLY 106 Ca -0.14 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1red n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1red s GLU 107 N -1.26 0.31 -0.01 1.61 2.02 -1.26 -0.65 118.70 119.46 1red s GLU 107 Ca 0.00 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.47 1red s GLU 107 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1red s GLU 107 CO 0.00 -0.06 0.04 0.54 0.02 0.00 0.00 175.26 175.81 1red s VAL 108 N -1.29 0.02 -0.18 2.63 0.11 -0.36 -4.97 120.40 116.36 1red s VAL 108 Ca -0.14 -0.15 -0.09 0.00 -2.93 0.00 0.00 61.98 58.66 1red s VAL 108 Cb -0.09 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1red s VAL 108 CO -0.00 -0.09 0.12 -0.89 -3.33 0.00 0.00 175.10 170.92 1red s THR 109 N -0.24 5.36 -0.25 5.04 2.01 -1.26 -0.01 115.64 126.29 1red s THR 109 Ca -0.03 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 1red s THR 109 Cb -0.02 -3.43 0.08 0.00 0.01 0.00 0.00 72.50 69.15 1red s THR 109 CO 0.00 0.47 0.78 -0.55 -0.69 0.00 0.00 174.62 174.64 1red s SER 110 N 0.13 -0.68 -1.48 3.53 0.15 -0.06 -4.98 113.70 110.32 1red s SER 110 Ca 0.09 1.26 -0.03 0.00 0.70 0.00 0.00 55.95 57.96 1red s SER 110 Cb -0.11 1.26 0.03 0.00 -1.71 0.00 0.00 66.02 65.49 1red s SER 110 CO -0.01 -0.26 0.44 0.47 1.20 0.00 0.00 173.24 175.08 1red n ASP 111 N 2.42 -0.72 0.00 5.45 8.00 -1.26 -2.17 116.55 128.28 1red n ASP 111 Ca -0.14 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1red n ASP 111 Cb 0.55 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 1red n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1red n GLY 112 N -1.95 0.46 3.41 0.44 0.00 -1.26 -4.99 105.19 101.29 1red n GLY 112 Ca -0.24 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1red n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1red s SER 113 N -2.37 -0.49 0.22 1.61 0.15 -0.92 -4.97 113.70 106.92 1red s SER 113 Ca 0.00 0.10 -0.18 0.00 0.70 0.00 0.00 55.95 56.57 1red s SER 113 Cb 0.00 0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 64.77 1red s SER 113 CO 0.00 -0.83 0.69 -0.69 1.20 0.00 0.00 173.24 173.61 1red s VAL 114 N -3.02 4.65 -0.04 4.45 1.01 -1.26 -0.88 120.40 125.31 1red s VAL 114 Ca -0.02 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1red s VAL 114 Cb -0.00 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1red s VAL 114 CO -0.06 0.17 -0.17 -0.31 0.00 0.00 0.00 175.10 174.73 1red s TYR 115 N -1.56 1.67 -0.07 5.22 1.51 0.99 -1.56 117.35 123.55 1red s TYR 115 Ca 0.43 -0.45 -0.16 0.00 -1.01 0.00 0.00 57.07 55.88 1red s TYR 115 Cb -0.16 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 1red s TYR 115 CO 0.20 -0.14 0.41 -0.51 -1.11 0.00 0.00 175.55 174.40 1red s ASP 116 N -0.04 6.70 -0.16 2.29 1.01 -0.62 -1.22 116.67 124.63 1red s ASP 116 Ca -0.02 0.83 -0.07 0.00 0.71 0.00 0.00 52.55 54.01 1red s ASP 116 Cb -0.11 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1red s ASP 116 CO 0.02 0.18 0.07 -0.63 0.21 0.00 0.00 175.17 175.01 1red s ILE 117 N -0.25 4.86 0.15 0.77 1.01 0.17 -0.85 121.20 127.06 1red s ILE 117 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.88 1red s ILE 117 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1red s ILE 117 CO 0.11 0.51 -0.03 -0.31 0.00 0.00 0.00 174.94 175.22 1red s TYR 118 N -0.09 1.13 -0.06 3.97 1.51 -0.20 -0.32 117.35 123.29 1red s TYR 118 Ca 0.07 -0.96 -0.10 0.00 -1.01 0.00 0.00 57.07 55.07 1red s TYR 118 Cb -0.12 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1red s TYR 118 CO 0.01 -0.16 0.25 0.50 -1.11 0.00 0.00 175.55 175.04 1red s ARG 119 N -3.87 0.43 -0.01 -0.62 3.52 -0.45 -0.76 118.95 117.17 1red s ARG 119 Ca 0.20 0.10 -0.24 0.00 -0.13 0.00 0.00 55.73 55.65 1red s ARG 119 Cb 0.05 0.19 0.05 0.00 -1.56 0.00 0.00 34.95 33.69 1red s ARG 119 CO 0.01 -0.09 0.54 -0.08 -0.81 0.00 0.00 175.30 174.87 1red s THR 120 N -0.48 0.02 -0.07 4.11 -1.32 -0.74 -1.56 115.64 115.61 1red s THR 120 Ca -0.06 -0.20 -0.05 0.00 -1.21 0.00 0.00 61.69 60.18 1red s THR 120 Cb -0.04 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1red s THR 120 CO 0.01 -0.11 0.14 -1.58 -2.21 0.00 0.00 174.62 170.88 1red s GLN 121 N -1.58 3.39 -0.25 7.08 0.74 -1.26 -0.13 119.66 127.65 1red s GLN 121 Ca -0.10 -0.24 -0.03 0.00 0.05 0.00 0.00 55.36 55.04 1red s GLN 121 Cb -0.02 -3.11 0.01 0.00 1.10 0.00 0.00 33.01 31.00 1red s GLN 121 CO 0.05 0.73 -0.03 1.03 -0.55 0.00 0.00 175.29 176.52 1red s ARG 122 N -1.42 3.01 -0.25 1.67 1.81 0.45 -4.95 118.95 119.28 1red s ARG 122 Ca 0.20 -0.87 -0.12 0.00 -1.72 0.00 0.00 55.73 53.22 1red s ARG 122 Cb -0.12 -3.06 -0.05 0.00 -0.45 0.00 0.00 34.95 31.27 1red s ARG 122 CO 0.10 -0.36 0.25 0.08 -0.68 0.00 0.00 175.30 174.69 1red s VAL 123 N 1.39 5.29 -1.26 3.52 1.01 -1.26 -1.65 120.40 127.44 1red s VAL 123 Ca 0.02 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1red s VAL 123 Cb -0.16 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1red s VAL 123 CO -0.03 0.28 0.64 0.59 0.00 0.00 0.00 175.10 176.57 1red n ASN 124 N 4.65 -2.97 -4.64 3.32 3.02 -0.96 -4.95 115.26 112.72 1red n ASN 124 Ca -0.12 -1.01 -0.23 0.00 -0.03 0.00 0.00 54.58 53.18 1red n ASN 124 Cb 0.52 -3.25 -0.08 0.00 -0.61 0.00 0.00 39.78 36.36 1red n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1red s GLN 125 N -6.25 2.21 0.50 3.52 -1.52 0.10 -4.71 119.66 113.50 1red s GLN 125 Ca 0.25 -1.53 -0.23 0.00 -1.95 0.00 0.00 55.36 51.90 1red s GLN 125 Cb -0.09 -2.08 -0.06 0.00 -0.22 0.00 0.00 33.01 30.55 1red s GLN 125 CO 0.87 0.28 1.35 -2.14 -0.25 0.00 0.00 175.29 175.40 1red s PRO 126 N -3.69 3.43 0.26 2.91 0.02 -1.26 -1.02 135.00 135.64 1red s PRO 126 Ca 0.33 2.23 -0.05 0.00 0.02 0.00 0.00 61.00 63.53 1red s PRO 126 Cb -0.04 -2.43 0.02 0.00 0.02 0.00 0.00 34.50 32.07 1red s PRO 126 CO 0.20 -0.96 0.43 -1.13 -0.33 0.00 0.00 177.00 175.21 1red n SER 127 N -0.64 -1.22 0.00 2.53 3.41 -0.47 -4.84 113.62 112.38 1red n SER 127 Ca 0.08 -2.24 0.08 0.00 -0.26 0.00 0.00 58.87 56.54 1red n SER 127 Cb 0.44 2.15 0.41 0.00 -0.26 0.00 0.00 64.21 66.94 1red n SER 127 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1red n ILE 128 N -0.39 0.63 -0.22 -1.33 -5.35 -1.26 -2.21 119.36 109.23 1red n ILE 128 Ca -0.02 0.16 0.03 0.00 -0.27 0.00 0.00 62.75 62.64 1red n ILE 128 Cb 0.41 -0.87 0.05 0.00 -1.74 0.00 0.00 39.64 37.49 1red n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1red n ILE 129 N -1.37 1.18 0.00 7.28 -5.35 -1.26 -5.11 119.36 114.73 1red n ILE 129 Ca 0.07 -1.22 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 1red n ILE 129 Cb 0.16 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1red n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1red n GLY 130 N -0.50 -1.67 3.66 3.28 0.00 -0.94 -4.90 105.19 104.12 1red n GLY 130 Ca 0.05 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1red n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1red s THR 131 N 0.00 3.59 0.34 2.61 2.01 -1.26 -1.37 115.64 121.55 1red s THR 131 Ca 0.00 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.65 1red s THR 131 Cb 0.00 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1red s THR 131 CO 0.00 -0.06 0.61 0.00 -0.69 0.00 0.00 174.62 174.48 1red s ALA 132 N 3.80 -0.07 -0.12 7.40 0.00 -0.19 -4.87 121.76 127.71 1red s ALA 132 Ca 0.72 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1red s ALA 132 Cb -0.33 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1red s ALA 132 CO 0.29 -0.89 -0.13 0.99 0.00 0.00 0.00 175.76 176.02 1red s THR 133 N -3.00 3.09 0.23 0.00 2.01 -1.26 -0.72 115.64 115.99 1red s THR 133 Ca 0.22 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 1red s THR 133 Cb -0.03 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1red s THR 133 CO 0.14 0.54 0.61 0.72 -0.69 0.00 0.00 174.62 175.94 1red s PHE 134 N 0.15 -0.15 0.16 4.92 -0.71 -0.66 -4.94 117.98 116.75 1red s PHE 134 Ca -0.07 -0.22 -0.08 0.00 -1.04 0.00 0.00 56.93 55.52 1red s PHE 134 Cb -0.15 0.53 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 1red s PHE 134 CO 0.05 -1.05 0.44 0.71 -1.34 0.00 0.00 175.22 174.03 1red s TYR 135 N -3.89 3.48 -0.20 3.49 2.02 -1.25 -0.41 117.35 120.60 1red s TYR 135 Ca 0.10 0.72 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 1red s TYR 135 Cb -0.03 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1red s TYR 135 CO 0.01 0.40 -0.16 -1.14 -1.57 0.00 0.00 175.55 173.09 1red s GLN 136 N -2.53 2.64 -0.12 -0.62 0.74 0.82 -1.88 119.66 118.70 1red s GLN 136 Ca 0.41 -0.91 -0.06 0.00 0.05 0.00 0.00 55.36 54.85 1red s GLN 136 Cb -0.12 -2.57 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 1red s GLN 136 CO 0.22 -0.31 0.11 0.71 -0.55 0.00 0.00 175.29 175.46 1red s TYR 137 N 1.29 3.48 0.02 1.67 1.51 -0.01 -1.79 117.35 123.51 1red s TYR 137 Ca 0.01 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.54 1red s TYR 137 Cb -0.15 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1red s TYR 137 CO -0.10 0.62 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.24 1red s TRP 138 N -0.81 1.15 -0.22 2.71 0.52 0.06 -0.90 118.94 121.44 1red s TRP 138 Ca 0.13 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 1red s TRP 138 Cb -0.12 -0.70 0.07 0.00 -1.15 0.00 0.00 33.47 31.57 1red s TRP 138 CO 0.03 0.01 0.04 -1.12 0.02 0.00 0.00 176.95 175.93 1red s SER 139 N -0.84 3.25 -0.31 2.95 0.01 -0.20 -1.04 113.70 117.52 1red s SER 139 Ca 0.02 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.16 1red s SER 139 Cb -0.07 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1red s SER 139 CO 0.01 -0.33 0.12 -0.69 0.41 0.00 0.00 173.24 172.76 1red s VAL 140 N 1.78 4.29 0.23 3.43 1.01 -0.03 -0.28 120.40 130.82 1red s VAL 140 Ca 0.01 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1red s VAL 140 Cb -0.17 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1red s VAL 140 CO -0.12 0.05 1.41 -0.60 0.00 0.00 0.00 175.10 175.84 1red s ARG 141 N 1.55 4.30 0.02 2.72 3.52 -0.28 -1.60 118.95 129.18 1red s ARG 141 Ca 0.03 2.24 -0.18 0.00 -0.13 0.00 0.00 55.73 57.69 1red s ARG 141 Cb -0.17 -3.14 -0.27 0.00 -1.56 0.00 0.00 34.95 29.81 1red s ARG 141 CO 0.04 -0.39 1.07 0.00 -0.81 0.00 0.00 175.30 175.21 1red h ARG 142 N 5.29 0.50 -4.48 5.12 3.08 -1.63 -3.40 114.38 118.87 1red h ARG 142 Ca -0.45 -0.64 -0.73 0.00 0.07 0.00 0.00 59.98 58.22 1red h ARG 142 Cb 1.22 0.21 -0.21 0.00 0.08 0.00 0.00 29.97 31.26 1red h ARG 142 CO 0.79 1.26 0.41 -0.80 -1.07 0.00 0.00 179.97 180.56 1red s ASN 143 N -7.11 6.61 0.46 7.04 0.01 -1.26 -5.03 114.94 115.65 1red s ASN 143 Ca -0.12 -2.21 -0.24 0.00 -0.71 0.00 0.00 52.86 49.59 1red s ASN 143 Cb 0.04 -2.30 -0.09 0.00 0.41 0.00 0.00 41.25 39.31 1red s ASN 143 CO 0.88 -0.87 1.14 1.41 -1.51 0.00 0.00 177.10 178.14 1red n HIS 144 N 5.45 1.61 -3.61 2.20 8.25 -1.26 -5.00 115.22 122.85 1red n HIS 144 Ca 0.14 0.50 -0.11 0.00 -0.26 0.00 0.00 57.72 57.99 1red n HIS 144 Cb 0.47 -2.29 -0.05 0.00 1.12 0.00 0.00 29.99 29.25 1red n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1red s ARG 145 N -2.28 1.05 0.00 -0.41 1.70 -0.76 -5.02 118.95 113.24 1red s ARG 145 Ca 0.65 -0.55 0.05 0.00 -0.47 0.00 0.00 55.73 55.41 1red s ARG 145 Cb -0.50 0.47 0.12 0.00 -0.57 0.00 0.00 34.95 34.46 1red s ARG 145 CO 0.55 -0.40 1.00 0.43 -1.08 0.00 0.00 175.30 175.80 1red n SER 146 N -0.01 2.18 -3.66 -2.89 7.64 -1.26 -4.20 113.62 111.41 1red n SER 146 Ca -0.17 -1.80 -0.15 0.00 1.01 0.00 0.00 58.87 57.77 1red n SER 146 Cb 0.63 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 1red n SER 146 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1red s SER 147 N -0.85 -0.49 0.00 6.43 0.01 -1.26 -3.39 113.70 114.14 1red s SER 147 Ca 0.10 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1red s SER 147 Cb 0.05 0.72 0.00 0.00 0.21 0.00 0.00 66.02 67.01 1red s SER 147 CO 0.07 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1red n GLY 148 N 1.82 -0.59 3.13 3.44 0.00 -0.04 -4.98 105.19 107.98 1red n GLY 148 Ca -0.17 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 1red n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1red s SER 149 N -4.00 1.81 -0.18 1.61 0.01 -1.26 -1.34 113.70 110.35 1red s SER 149 Ca 0.00 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1red s SER 149 Cb 0.00 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1red s SER 149 CO 0.00 0.19 -0.18 -0.69 0.41 0.00 0.00 173.24 172.97 1red s VAL 150 N -0.36 1.97 -0.67 3.43 1.01 0.64 -4.85 120.40 121.57 1red s VAL 150 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1red s VAL 150 Cb -0.06 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.58 1red s VAL 150 CO -0.01 0.48 0.94 0.21 0.00 0.00 0.00 175.10 176.73 1red s ASN 151 N 1.31 6.21 0.46 3.32 3.84 -1.26 -1.06 114.94 127.76 1red s ASN 151 Ca 0.04 -1.14 0.11 0.00 0.21 0.00 0.00 52.86 52.08 1red s ASN 151 Cb -0.13 -2.40 1.04 0.00 -0.55 0.00 0.00 41.25 39.20 1red s ASN 151 CO -0.12 -1.36 2.09 0.71 -2.79 0.00 0.00 177.10 175.63 1red h THR 152 N 5.96 1.05 -0.76 -5.21 1.35 -1.73 -2.69 112.91 110.88 1red h THR 152 Ca -0.25 -0.11 0.07 0.00 -0.55 0.00 0.00 66.41 65.57 1red h THR 152 Cb 1.07 0.70 -0.05 0.00 -1.73 0.00 0.00 68.15 68.14 1red h THR 152 CO 1.17 0.06 0.50 0.00 -0.25 0.00 0.00 175.52 176.99 1red h ALA 153 N 1.85 1.70 -0.52 6.62 0.00 -1.78 -1.01 119.26 126.11 1red h ALA 153 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1red h ALA 153 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1red h ALA 153 CO -0.02 0.18 0.26 -0.91 0.00 0.00 0.00 179.25 178.75 1red h ASN 154 N 0.78 0.65 0.15 0.00 2.35 -1.81 -0.87 115.58 116.83 1red h ASN 154 Ca 0.33 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.81 1red h ASN 154 Cb 0.30 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.53 1red h ASN 154 CO -0.12 0.55 -0.95 0.45 -1.65 0.00 0.00 177.43 175.71 1red h HIS 155 N 0.73 0.67 -0.32 1.19 3.86 -1.40 -2.77 115.15 117.12 1red h HIS 155 Ca 0.18 -0.47 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1red h HIS 155 Cb 0.07 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1red h HIS 155 CO 0.01 1.35 0.14 0.74 0.86 0.00 0.00 177.93 181.03 1red h PHE 156 N -0.20 0.43 -0.06 2.45 0.04 -1.04 0.45 116.94 119.02 1red h PHE 156 Ca -0.16 -0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.37 1red h PHE 156 Cb 1.73 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 39.75 1red h PHE 156 CO 0.17 0.34 -0.90 -0.91 -0.60 0.00 0.00 178.31 176.42 1red h ASN 157 N 0.45 0.80 -0.44 2.17 2.35 -1.24 -1.46 115.58 118.20 1red h ASN 157 Ca 0.11 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1red h ASN 157 Cb 0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1red h ASN 157 CO -0.01 1.38 0.16 0.00 -1.65 0.00 0.00 177.43 177.31 1red h ALA 158 N 0.59 0.58 -0.23 -0.83 0.00 -1.08 -1.82 119.26 116.47 1red h ALA 158 Ca -0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1red h ALA 158 Cb 1.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1red h ALA 158 CO 0.17 0.20 -0.24 -1.49 0.00 0.00 0.00 179.25 177.90 1red h TRP 159 N 0.58 0.49 -0.40 0.00 6.55 -0.93 -2.50 115.95 119.74 1red h TRP 159 Ca 0.15 -0.10 -0.05 0.00 0.95 0.00 0.00 58.89 59.84 1red h TRP 159 Cb 0.22 -0.12 -0.02 0.00 -0.86 0.00 0.00 29.16 28.38 1red h TRP 159 CO 0.01 0.65 0.02 0.00 -1.05 0.00 0.00 178.44 178.06 1red h ALA 160 N 1.36 1.29 0.00 1.49 0.00 -0.83 -1.21 119.26 121.36 1red h ALA 160 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1red h ALA 160 Cb 0.63 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1red h ALA 160 CO 0.05 0.48 -0.07 1.96 0.00 0.00 0.00 179.25 181.67 1red h GLN 161 N 0.59 0.00 -0.02 0.00 7.50 -0.88 -2.54 115.11 119.76 1red h GLN 161 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1red h GLN 161 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1red h GLN 161 CO 0.01 0.07 -0.16 1.04 -1.50 0.00 0.00 178.83 178.29 1red n GLN 162 N -3.28 1.67 0.00 1.46 1.13 -0.57 -4.95 117.38 112.84 1red n GLN 162 Ca -0.01 -1.25 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 1red n GLN 162 Cb 0.27 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1red n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1red n GLY 163 N 1.32 1.22 3.73 1.08 0.00 -0.96 -5.10 105.19 106.49 1red n GLY 163 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1red n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1red s LEU 164 N 0.00 4.36 -0.53 0.99 2.96 -0.57 -4.99 118.68 120.90 1red s LEU 164 Ca 0.00 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1red s LEU 164 Cb 0.00 -3.10 0.17 0.00 0.50 0.00 0.00 46.19 43.76 1red s LEU 164 CO 0.00 -0.05 0.39 0.28 -1.32 0.00 0.00 176.35 175.65 1red s THR 165 N 0.45 1.48 0.36 3.68 -1.32 -1.26 -4.06 115.64 114.96 1red s THR 165 Ca 0.37 -3.31 -0.27 0.00 -1.21 0.00 0.00 61.69 57.28 1red s THR 165 Cb -0.18 -1.99 -0.12 0.00 -1.51 0.00 0.00 72.50 68.69 1red s THR 165 CO 0.19 -1.11 1.13 0.18 -2.21 0.00 0.00 174.62 172.81 1red n LEU 166 N 2.56 2.85 0.00 9.08 4.77 -1.26 -4.33 117.00 130.66 1red n LEU 166 Ca 0.24 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.36 1red n LEU 166 Cb 0.41 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1red n LEU 166 CO 0.17 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 175.82 1red n GLY 167 N 1.01 0.54 3.61 -0.72 0.00 -1.24 -4.87 105.19 103.52 1red n GLY 167 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1red n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1red s THR 168 N 2.32 4.82 0.13 2.61 2.01 0.08 -4.86 115.64 122.76 1red s THR 168 Ca 0.00 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 1red s THR 168 Cb 0.00 -4.12 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1red s THR 168 CO 0.00 -0.24 1.27 -0.04 -0.69 0.00 0.00 174.62 174.93 1red s MET 169 N 2.90 4.41 0.00 4.92 1.00 -1.26 -0.41 119.30 130.86 1red s MET 169 Ca 0.31 1.94 0.00 0.00 0.00 0.00 0.00 55.69 57.94 1red s MET 169 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 34.83 31.43 1red s MET 169 CO 0.12 -0.27 0.00 -3.47 0.00 0.00 0.00 175.02 171.41 1red n ASP 170 N 3.33 0.00 -4.76 3.03 -0.08 -0.25 -4.49 116.55 113.33 1red n ASP 170 Ca 0.08 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.05 1red n ASP 170 Cb 0.44 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.00 1red n ASP 170 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1red s TYR 171 N 4.86 2.56 -0.24 -0.67 -0.85 -1.26 -1.02 117.35 120.73 1red s TYR 171 Ca 0.00 1.48 -0.02 0.00 -0.52 0.00 0.00 57.07 58.00 1red s TYR 171 Cb 0.00 -3.06 0.13 0.00 0.38 0.00 0.00 41.96 39.40 1red s TYR 171 CO 0.00 -1.88 0.33 -1.14 -1.52 0.00 0.00 175.55 171.34 1red s GLN 172 N -4.92 0.31 0.26 -3.49 0.74 -0.03 -2.56 119.66 109.96 1red s GLN 172 Ca 0.61 0.33 0.03 0.00 0.05 0.00 0.00 55.36 56.39 1red s GLN 172 Cb -0.17 -0.69 -0.05 0.00 1.10 0.00 0.00 33.01 33.20 1red s GLN 172 CO 0.56 -0.72 0.03 0.96 -0.55 0.00 0.00 175.29 175.57 1red s ILE 173 N 2.46 1.00 -0.36 -2.34 -4.36 0.20 -0.48 121.20 117.32 1red s ILE 173 Ca 0.10 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.34 1red s ILE 173 Cb -0.15 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.05 1red s ILE 173 CO -0.18 -0.19 0.25 -0.69 0.24 0.00 0.00 174.94 174.37 1red s VAL 174 N -3.44 5.23 0.15 8.37 1.01 -0.43 -0.17 120.40 131.12 1red s VAL 174 Ca 0.32 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1red s VAL 174 Cb 0.07 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1red s VAL 174 CO 0.11 -0.10 -0.20 0.00 0.00 0.00 0.00 175.10 174.91 1red s ALA 175 N 1.70 1.99 -0.20 5.51 0.00 0.66 -2.94 121.76 128.48 1red s ALA 175 Ca 0.06 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 1red s ALA 175 Cb -0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1red s ALA 175 CO 0.10 0.30 0.00 0.08 0.00 0.00 0.00 175.76 176.24 1red s VAL 176 N -1.71 3.95 0.04 0.00 1.01 -0.27 -1.55 120.40 121.88 1red s VAL 176 Ca 0.13 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1red s VAL 176 Cb -0.07 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1red s VAL 176 CO 0.06 0.42 -0.21 -0.70 0.00 0.00 0.00 175.10 174.68 1red s GLU 177 N 1.03 2.00 0.04 2.72 2.12 -0.25 -1.85 118.70 124.50 1red s GLU 177 Ca 0.02 -1.02 0.02 0.00 0.36 0.00 0.00 54.97 54.36 1red s GLU 177 Cb -0.14 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 1red s GLU 177 CO 0.02 0.53 -0.08 0.20 -0.54 0.00 0.00 175.26 175.39 1red s GLY 178 N -1.35 0.50 -0.33 -1.50 0.00 -0.53 -0.92 107.32 103.20 1red s GLY 178 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 1red s GLY 178 CO 0.04 -0.73 0.14 -0.47 0.00 0.00 0.00 173.10 172.08 1red s TYR 179 N -1.15 1.26 -1.25 1.90 5.04 -0.69 -1.77 117.35 120.69 1red s TYR 179 Ca -0.07 -1.60 -0.14 0.00 -2.44 0.00 0.00 57.07 52.82 1red s TYR 179 Cb -0.09 -1.43 -0.00 0.00 0.35 0.00 0.00 41.96 40.79 1red s TYR 179 CO 0.00 -0.85 0.64 1.19 -1.34 0.00 0.00 175.55 175.20 1red n PHE 180 N 4.66 -1.77 -2.88 4.97 3.01 -0.00 -4.46 117.46 120.99 1red n PHE 180 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 57.45 59.01 1red n PHE 180 Cb 0.40 -3.53 0.00 0.00 -0.01 0.00 0.00 39.48 36.34 1red n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1red n SER 181 N -2.76 0.00 -4.18 4.37 3.41 -1.26 -4.79 113.62 108.41 1red n SER 181 Ca -0.18 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.30 1red n SER 181 Cb 0.63 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1red n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1red s SER 182 N 1.11 0.26 0.00 4.04 0.01 -1.03 -1.18 113.70 116.90 1red s SER 182 Ca 0.00 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1red s SER 182 Cb 0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1red s SER 182 CO 0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1red n GLY 183 N -0.19 -1.36 3.30 3.44 0.00 -0.08 -0.44 105.19 109.86 1red n GLY 183 Ca -0.02 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1red n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1red s SER 184 N -1.87 -0.29 -0.07 1.61 1.04 -0.70 -1.47 113.70 111.94 1red s SER 184 Ca 0.00 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.35 1red s SER 184 Cb 0.00 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1red s SER 184 CO 0.00 -0.51 0.61 0.00 0.98 0.00 0.00 173.24 174.33 1red s ALA 185 N -1.46 -1.58 -0.23 5.32 0.00 -0.07 -0.91 121.76 122.83 1red s ALA 185 Ca -0.12 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 1red s ALA 185 Cb -0.04 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.04 1red s ALA 185 CO 0.04 -0.34 0.19 0.45 0.00 0.00 0.00 175.76 176.10 1red s SER 186 N -1.00 2.07 0.01 0.00 0.15 -0.48 -1.25 113.70 113.20 1red s SER 186 Ca -0.10 -0.62 0.08 0.00 0.70 0.00 0.00 55.95 56.02 1red s SER 186 Cb -0.02 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1red s SER 186 CO 0.08 -0.37 -0.25 -0.63 1.20 0.00 0.00 173.24 173.27 1red s ILE 187 N 2.25 2.00 -0.13 6.45 -1.09 -0.25 -1.35 121.20 129.07 1red s ILE 187 Ca 0.07 -1.18 0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1red s ILE 187 Cb -0.16 -1.68 0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1red s ILE 187 CO -0.20 0.47 -0.22 -0.89 -1.23 0.00 0.00 174.94 172.86 1red s THR 188 N -0.67 2.10 0.14 2.92 2.01 0.22 -0.72 115.64 121.64 1red s THR 188 Ca 0.10 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1red s THR 188 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1red s THR 188 CO 0.00 0.55 0.11 0.68 -0.69 0.00 0.00 174.62 175.27 1red s VAL 189 N 0.70 4.45 0.00 3.82 -7.23 0.19 -1.91 120.40 120.42 1red s VAL 189 Ca -0.10 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1red s VAL 189 Cb -0.16 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1red s VAL 189 CO 0.01 -0.03 0.00 -1.54 -0.31 0.00 0.00 175.10 173.23