#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b45 s SER 2 N 0.00 2.77 0.46 0.00 1.04 -1.26 -4.95 113.70 111.77 2b45 s SER 2 Ca 0.00 1.33 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 2b45 s SER 2 Cb 0.00 -2.01 -0.07 0.00 0.10 0.00 0.00 66.02 64.04 2b45 s SER 2 CO 0.00 -3.06 1.21 0.42 0.98 0.00 0.00 173.24 172.79 2b45 s THR 3 N -2.91 2.91 0.00 2.02 -4.23 -1.26 -4.95 115.64 107.21 2b45 s THR 3 Ca 0.65 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 2b45 s THR 3 Cb -0.19 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2b45 s THR 3 CO 0.58 0.01 0.74 -0.90 -0.54 0.00 0.00 174.62 174.51 2b45 n ASP 4 N -0.44 1.11 -3.88 3.99 5.68 -0.11 -4.96 116.55 117.94 2b45 n ASP 4 Ca 0.07 -1.53 -0.14 0.00 -0.50 0.00 0.00 54.79 52.70 2b45 n ASP 4 Cb 0.47 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.30 2b45 n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2b45 s TYR 5 N -0.53 0.15 -0.12 2.11 5.04 -0.55 -4.72 117.35 118.74 2b45 s TYR 5 Ca 0.00 -0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.64 2b45 s TYR 5 Cb 0.00 -0.14 0.01 0.00 0.35 0.00 0.00 41.96 42.18 2b45 s TYR 5 CO 0.00 -0.02 -0.20 -0.46 -1.34 0.00 0.00 175.55 173.53 2b45 s TRP 6 N 0.18 2.37 -0.14 4.97 -0.00 -1.26 -1.60 118.94 123.45 2b45 s TRP 6 Ca -0.01 -1.13 -0.01 0.00 -0.00 0.00 0.00 56.10 54.95 2b45 s TRP 6 Cb -0.03 -1.63 -0.01 0.00 -0.00 0.00 0.00 33.47 31.79 2b45 s TRP 6 CO -0.01 -0.52 -0.12 -1.14 -0.00 0.00 0.00 176.95 175.16 2b45 s GLN 7 N 0.79 3.37 -0.44 5.86 2.00 -0.24 -5.00 119.66 126.00 2b45 s GLN 7 Ca -0.09 -0.68 0.06 0.00 -2.00 0.00 0.00 55.36 52.65 2b45 s GLN 7 Cb -0.16 -2.67 0.18 0.00 0.80 0.00 0.00 33.01 31.16 2b45 s GLN 7 CO 0.00 0.15 0.59 1.21 -0.50 0.00 0.00 175.29 176.74 2b45 s ASN 8 N 0.51 -0.74 -0.10 6.67 3.04 -1.25 -1.66 114.94 121.40 2b45 s ASN 8 Ca -0.09 -1.44 0.04 0.00 0.04 0.00 0.00 52.86 51.41 2b45 s ASN 8 Cb -0.16 1.47 -0.00 0.00 -1.54 0.00 0.00 41.25 41.02 2b45 s ASN 8 CO 0.04 -0.15 -0.23 0.86 -3.04 0.00 0.00 177.10 174.58 2b45 s TRP 9 N 1.30 2.58 0.12 0.43 -0.00 -0.43 -5.02 118.94 117.91 2b45 s TRP 9 Ca 0.22 -1.03 0.03 0.00 -0.00 0.00 0.00 56.10 55.32 2b45 s TRP 9 Cb -0.04 -1.72 -0.04 0.00 -0.00 0.00 0.00 33.47 31.66 2b45 s TRP 9 CO -0.06 -0.41 -0.08 0.95 -0.00 0.00 0.00 176.95 177.34 2b45 s THR 10 N 0.36 0.91 -0.27 5.86 -4.23 -1.26 -1.33 115.64 115.68 2b45 s THR 10 Ca -0.18 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.10 2b45 s THR 10 Cb -0.18 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.00 2b45 s THR 10 CO 0.08 -0.81 0.80 0.12 -0.54 0.00 0.00 174.62 174.27 2b45 s PHE 11 N -3.45 -0.71 0.00 3.99 5.36 -0.13 -4.98 117.98 118.06 2b45 s PHE 11 Ca 0.14 1.72 0.00 0.00 -0.96 0.00 0.00 56.93 57.83 2b45 s PHE 11 Cb 0.04 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 2b45 s PHE 11 CO -0.02 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 2b45 n GLY 12 N 2.54 0.60 0.00 13.12 0.00 -1.26 -0.55 105.19 119.64 2b45 n GLY 12 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2b45 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b45 n GLY 13 N -2.00 0.87 7.00 -0.02 0.00 -1.26 -4.25 105.19 105.53 2b45 n GLY 13 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2b45 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b45 n GLY 14 N -1.16 -0.32 3.23 -0.02 0.00 -1.19 -1.97 105.19 103.75 2b45 n GLY 14 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 2b45 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b45 s ILE 15 N 0.00 1.95 -0.27 -0.61 1.01 -0.54 -4.93 121.20 117.80 2b45 s ILE 15 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 2b45 s ILE 15 Cb 0.00 -1.66 0.08 0.00 0.01 0.00 0.00 42.46 40.89 2b45 s ILE 15 CO 0.00 0.54 0.04 -0.69 0.00 0.00 0.00 174.94 174.83 2b45 s VAL 16 N 0.04 1.14 -0.61 2.92 1.01 -1.26 -1.19 120.40 122.45 2b45 s VAL 16 Ca -0.09 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.44 2b45 s VAL 16 Cb -0.15 -1.68 0.12 0.00 0.00 0.00 0.00 36.38 34.67 2b45 s VAL 16 CO 0.05 -0.41 0.68 0.20 0.00 0.00 0.00 175.10 175.63 2b45 s ASN 17 N 1.53 6.23 -0.13 3.32 0.01 0.44 -4.99 114.94 121.36 2b45 s ASN 17 Ca 0.03 -1.60 -0.02 0.00 -0.71 0.00 0.00 52.86 50.55 2b45 s ASN 17 Cb -0.18 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2b45 s ASN 17 CO -0.14 -1.03 -0.04 0.00 -1.51 0.00 0.00 177.10 174.37 2b45 s ALA 18 N 2.33 3.03 -0.16 0.60 0.00 -1.26 -1.21 121.76 125.08 2b45 s ALA 18 Ca 0.11 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2b45 s ALA 18 Cb -0.24 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2b45 s ALA 18 CO 0.04 0.34 -0.17 0.08 0.00 0.00 0.00 175.76 176.05 2b45 s VAL 19 N -0.04 2.46 -0.66 0.00 1.01 -0.02 -4.99 120.40 118.16 2b45 s VAL 19 Ca 0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2b45 s VAL 19 Cb -0.13 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2b45 s VAL 19 CO 0.03 0.52 1.05 0.21 0.00 0.00 0.00 175.10 176.91 2b45 s ASN 20 N 0.89 6.20 0.57 3.32 3.84 -1.26 -1.96 114.94 126.53 2b45 s ASN 20 Ca -0.04 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.31 2b45 s ASN 20 Cb -0.15 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 2b45 s ASN 20 CO -0.02 -1.52 0.00 0.61 -2.79 0.00 0.00 177.10 173.38 2b45 n GLY 21 N 5.30 -0.01 3.76 1.21 0.00 0.72 -4.99 105.19 111.18 2b45 n GLY 21 Ca -0.01 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 2b45 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b45 s SER 22 N -1.00 7.27 1.05 1.61 0.01 -1.26 -4.55 113.70 116.83 2b45 s SER 22 Ca 0.00 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.35 2b45 s SER 22 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2b45 s SER 22 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2b45 n GLY 23 N 1.01 2.51 0.32 3.44 0.00 -1.26 -1.72 105.19 109.49 2b45 n GLY 23 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.62 2b45 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b45 n GLY 24 N 0.00 -0.08 3.80 -0.02 0.00 -1.26 -4.93 105.19 102.71 2b45 n GLY 24 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2b45 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b45 s ASN 25 N -0.89 7.14 0.12 1.61 3.84 -0.70 -1.01 114.94 125.05 2b45 s ASN 25 Ca 0.09 1.38 -0.11 0.00 0.21 0.00 0.00 52.86 54.44 2b45 s ASN 25 Cb 0.05 -2.40 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 2b45 s ASN 25 CO 0.06 0.21 0.27 -0.72 -2.79 0.00 0.00 177.10 174.14 2b45 s TYR 26 N -1.20 0.10 0.07 0.43 -0.85 0.04 -0.20 117.35 115.74 2b45 s TYR 26 Ca 0.33 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 56.44 2b45 s TYR 26 Cb -0.20 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 2b45 s TYR 26 CO 0.21 -0.63 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.95 2b45 s SER 27 N -2.87 1.50 -0.03 -0.18 1.04 -0.83 -1.51 113.70 110.83 2b45 s SER 27 Ca 0.07 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.90 2b45 s SER 27 Cb 0.04 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2b45 s SER 27 CO -0.09 -0.12 -0.10 -0.69 0.98 0.00 0.00 173.24 173.23 2b45 s VAL 28 N -1.42 0.83 -0.07 5.02 1.01 -0.34 -0.84 120.40 124.59 2b45 s VAL 28 Ca -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2b45 s VAL 28 Cb -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2b45 s VAL 28 CO 0.02 0.26 -0.09 0.20 0.00 0.00 0.00 175.10 175.49 2b45 s ASN 29 N 0.18 1.61 0.02 3.32 -0.87 -0.35 -0.72 114.94 118.13 2b45 s ASN 29 Ca -0.03 -0.24 -0.01 0.00 -1.57 0.00 0.00 52.86 51.01 2b45 s ASN 29 Cb -0.09 -0.70 -0.02 0.00 -0.02 0.00 0.00 41.25 40.42 2b45 s ASN 29 CO 0.01 -0.03 -0.02 -1.66 -2.57 0.00 0.00 177.10 172.83 2b45 s TRP 30 N 0.99 0.29 -0.09 2.20 -2.14 -0.18 -0.42 118.94 119.59 2b45 s TRP 30 Ca -0.09 -0.59 -0.06 0.00 2.66 0.00 0.00 56.10 58.02 2b45 s TRP 30 Cb -0.15 -0.21 0.03 0.00 -3.10 0.00 0.00 33.47 30.04 2b45 s TRP 30 CO 0.00 -0.23 0.21 -1.54 -2.66 0.00 0.00 176.95 172.74 2b45 s SER 31 N -1.70 -0.22 -1.52 -2.66 1.04 -0.33 -0.64 113.70 107.66 2b45 s SER 31 Ca -0.12 0.44 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 2b45 s SER 31 Cb -0.07 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.53 2b45 s SER 31 CO -0.02 -0.11 0.82 0.59 0.98 0.00 0.00 173.24 175.50 2b45 n ASN 32 N 3.47 -3.29 -4.84 7.02 5.03 -0.85 -1.47 115.26 120.33 2b45 n ASN 32 Ca -0.18 -0.87 -0.29 0.00 0.87 0.00 0.00 54.58 54.11 2b45 n ASN 32 Cb 0.56 -3.53 0.10 0.00 -1.02 0.00 0.00 39.78 35.89 2b45 n ASN 32 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2b45 s THR 33 N -3.45 2.41 0.00 3.41 -4.23 -0.72 -3.19 115.64 109.88 2b45 s THR 33 Ca 0.49 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2b45 s THR 33 Cb -0.25 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2b45 s THR 33 CO 0.86 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 2b45 n GLY 34 N -2.62 0.80 3.65 3.99 0.00 -0.83 -3.15 105.19 107.03 2b45 n GLY 34 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2b45 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b45 s ASN 35 N -1.00 4.94 0.02 1.61 0.01 0.29 -0.95 114.94 119.87 2b45 s ASN 35 Ca 0.00 -0.03 -0.19 0.00 -0.71 0.00 0.00 52.86 51.93 2b45 s ASN 35 Cb 0.00 -1.26 0.04 0.00 0.41 0.00 0.00 41.25 40.44 2b45 s ASN 35 CO 0.00 0.31 0.44 0.72 -1.51 0.00 0.00 177.10 177.05 2b45 s PHE 36 N -1.00 -0.31 -0.05 2.20 -0.12 -0.92 -0.95 117.98 116.82 2b45 s PHE 36 Ca 0.17 0.37 -0.00 0.00 -0.05 0.00 0.00 56.93 57.42 2b45 s PHE 36 Cb -0.11 0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2b45 s PHE 36 CO 0.07 -0.55 -0.02 0.08 -0.05 0.00 0.00 175.22 174.75 2b45 s VAL 37 N -2.09 0.43 -0.04 -2.49 1.01 -0.44 -1.76 120.40 115.02 2b45 s VAL 37 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2b45 s VAL 37 Cb -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2b45 s VAL 37 CO 0.01 0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.51 2b45 s VAL 38 N 1.37 1.15 -0.05 2.92 1.01 -0.58 -1.32 120.40 124.90 2b45 s VAL 38 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2b45 s VAL 38 Cb -0.13 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.35 2b45 s VAL 38 CO -0.02 0.34 1.33 -0.83 0.00 0.00 0.00 175.10 175.92 2b45 s GLY 39 N 0.15 -0.22 0.10 4.51 0.00 -0.67 -0.35 107.32 110.84 2b45 s GLY 39 Ca -0.04 0.23 0.09 0.00 0.00 0.00 0.00 44.72 45.00 2b45 s GLY 39 CO 0.02 5.00 -0.24 0.54 0.00 0.00 0.00 173.10 178.41 2b45 s LYS 40 N -2.05 1.36 0.00 2.90 1.02 -1.22 -1.08 119.74 120.66 2b45 s LYS 40 Ca 0.28 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 55.07 2b45 s LYS 40 Cb 0.01 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 2b45 s LYS 40 CO -0.02 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 2b45 n GLY 41 N 1.22 -0.78 3.10 -3.33 0.00 -0.63 -1.40 105.19 103.36 2b45 n GLY 41 Ca -0.18 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2b45 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b45 s TRP 42 N -1.73 1.35 0.24 1.61 0.51 -0.08 -0.93 118.94 119.90 2b45 s TRP 42 Ca 0.00 -0.31 -0.06 0.00 -2.12 0.00 0.00 56.10 53.61 2b45 s TRP 42 Cb 0.00 -0.90 0.33 0.00 -0.81 0.00 0.00 33.47 32.09 2b45 s TRP 42 CO 0.00 -0.08 1.84 1.15 -0.51 0.00 0.00 176.95 179.35 2b45 h THR 43 N 5.05 1.01 -3.63 2.01 2.02 -1.87 -1.17 112.91 116.33 2b45 h THR 43 Ca -0.34 -0.31 -0.68 0.00 0.77 0.00 0.00 66.41 65.86 2b45 h THR 43 Cb 1.17 0.03 -0.31 0.00 -1.74 0.00 0.00 68.15 67.30 2b45 h THR 43 CO 0.48 0.16 -0.69 -0.89 0.37 0.00 0.00 175.52 174.96 2b45 s THR 44 N -6.06 3.22 0.73 3.16 2.01 -1.26 -2.66 115.64 114.78 2b45 s THR 44 Ca -0.13 -1.09 -0.13 0.00 0.31 0.00 0.00 61.69 60.66 2b45 s THR 44 Cb 0.18 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 70.00 2b45 s THR 44 CO 0.78 0.04 1.12 -0.83 -0.69 0.00 0.00 174.62 175.04 2b45 s GLY 45 N 1.34 1.96 0.00 4.40 0.00 0.10 -4.86 107.32 110.27 2b45 s GLY 45 Ca -0.01 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.21 2b45 s GLY 45 CO -0.01 0.86 -0.04 -0.45 0.00 0.00 0.00 173.10 173.46 2b45 s SER 46 N -2.81 0.43 0.00 1.64 0.15 -1.26 -4.82 113.70 107.03 2b45 s SER 46 Ca 0.66 -0.16 0.22 0.00 0.70 0.00 0.00 55.95 57.37 2b45 s SER 46 Cb -0.21 -0.02 1.15 0.00 -1.71 0.00 0.00 66.02 65.23 2b45 s SER 46 CO 0.49 -0.02 1.72 -0.81 1.20 0.00 0.00 173.24 175.82 2b45 n PRO 47 N 2.70 0.36 0.00 5.44 -0.04 -1.26 -3.04 135.00 139.16 2b45 n PRO 47 Ca -0.15 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 2b45 n PRO 47 Cb 0.58 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 2b45 n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2b45 n PHE 48 N -1.25 0.00 -2.57 0.54 3.72 -1.26 -3.09 117.46 113.55 2b45 n PHE 48 Ca 0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 2b45 n PHE 48 Cb 0.16 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 2b45 n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2b45 s ARG 49 N -1.50 4.64 -0.37 -1.08 3.52 -1.17 -4.83 118.95 118.16 2b45 s ARG 49 Ca 0.16 1.66 -0.14 0.00 -0.13 0.00 0.00 55.73 57.29 2b45 s ARG 49 Cb 0.13 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2b45 s ARG 49 CO 0.26 0.15 0.27 0.99 -0.81 0.00 0.00 175.30 176.17 2b45 s THR 50 N -0.39 5.27 -0.14 4.11 2.01 -1.26 -2.82 115.64 122.41 2b45 s THR 50 Ca 0.48 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 2b45 s THR 50 Cb -0.28 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2b45 s THR 50 CO 0.34 -0.13 0.77 -0.63 -0.69 0.00 0.00 174.62 174.28 2b45 s ILE 51 N 1.73 4.95 -0.11 1.82 1.09 -0.61 -4.93 121.20 125.13 2b45 s ILE 51 Ca 0.06 1.52 -0.04 0.00 -1.10 0.00 0.00 60.65 61.09 2b45 s ILE 51 Cb -0.18 -4.08 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 2b45 s ILE 51 CO 0.10 0.10 0.05 0.20 -0.10 0.00 0.00 174.94 175.30 2b45 s ASN 52 N 1.07 5.65 0.18 3.58 0.01 0.21 -0.43 114.94 125.20 2b45 s ASN 52 Ca 0.37 0.23 -0.15 0.00 -0.71 0.00 0.00 52.86 52.60 2b45 s ASN 52 Cb -0.17 -1.74 0.02 0.00 0.41 0.00 0.00 41.25 39.77 2b45 s ASN 52 CO 0.14 0.35 0.44 -0.72 -1.51 0.00 0.00 177.10 175.81 2b45 s TYR 53 N -0.71 0.00 -0.15 2.20 1.13 -0.44 -0.83 117.35 118.56 2b45 s TYR 53 Ca 0.12 -0.35 -0.04 0.00 -1.41 0.00 0.00 57.07 55.39 2b45 s TYR 53 Cb -0.12 0.26 0.06 0.00 -1.10 0.00 0.00 41.96 41.06 2b45 s TYR 53 CO 0.02 -0.83 0.12 1.21 -2.51 0.00 0.00 175.55 173.56 2b45 s ASN 54 N -2.89 1.74 -0.77 -0.18 3.04 -0.25 -0.43 114.94 115.20 2b45 s ASN 54 Ca 0.10 -0.30 -0.21 0.00 0.04 0.00 0.00 52.86 52.49 2b45 s ASN 54 Cb 0.01 -0.02 0.09 0.00 -1.54 0.00 0.00 41.25 39.78 2b45 s ASN 54 CO -0.03 -0.32 1.04 0.00 -3.04 0.00 0.00 177.10 174.75 2b45 s ALA 55 N 2.21 3.18 0.36 1.71 0.00 -1.26 -1.53 121.76 126.42 2b45 s ALA 55 Ca 0.04 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 49.89 2b45 s ALA 55 Cb -0.15 -3.96 0.68 0.00 0.00 0.00 0.00 23.12 19.69 2b45 s ALA 55 CO -0.08 -2.89 1.86 0.78 0.00 0.00 0.00 175.76 175.43 2b45 h GLY 56 N 11.10 0.31 -6.55 0.00 0.00 -1.37 -1.08 103.07 105.47 2b45 h GLY 56 Ca -0.11 -0.21 -0.53 0.00 0.00 0.00 0.00 47.33 46.49 2b45 h GLY 56 CO 1.17 0.19 -0.80 0.14 0.00 0.00 0.00 176.54 177.24 2b45 s VAL 57 N -4.62 1.05 -0.34 4.60 1.01 -0.92 -4.77 120.40 116.39 2b45 s VAL 57 Ca -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2b45 s VAL 57 Cb 0.15 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.59 2b45 s VAL 57 CO 0.75 0.37 0.11 0.86 0.00 0.00 0.00 175.10 177.18 2b45 s TRP 58 N 1.57 2.44 -0.40 5.22 -0.11 -1.26 -1.20 118.94 125.20 2b45 s TRP 58 Ca 0.02 -2.28 0.11 0.00 1.22 0.00 0.00 56.10 55.18 2b45 s TRP 58 Cb -0.13 -2.16 0.35 0.00 -1.50 0.00 0.00 33.47 30.04 2b45 s TRP 58 CO -0.07 -0.88 0.77 0.00 -4.62 0.00 0.00 176.95 172.15 2b45 n ALA 59 N 4.43 2.42 -1.77 5.86 0.00 -0.08 -5.04 120.51 126.33 2b45 n ALA 59 Ca 0.01 -3.57 -0.38 0.00 0.00 0.00 0.00 53.44 49.51 2b45 n ALA 59 Cb 0.41 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 2b45 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2b45 s PRO 60 N -2.60 4.05 -0.60 0.00 0.04 -1.26 -1.76 135.00 132.88 2b45 s PRO 60 Ca 0.41 1.77 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2b45 s PRO 60 Cb 0.35 -2.62 0.15 0.00 0.04 0.00 0.00 34.50 32.41 2b45 s PRO 60 CO -0.08 -0.31 0.36 1.21 0.04 0.00 0.00 177.00 178.22 2b45 s ASN 61 N -1.24 4.48 0.00 6.66 2.47 0.92 -4.93 114.94 123.30 2b45 s ASN 61 Ca 0.58 -3.38 0.00 0.00 0.42 0.00 0.00 52.86 50.48 2b45 s ASN 61 Cb -0.29 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 2b45 s ASN 61 CO 0.36 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.18 2b45 n GLY 62 N 2.61 0.25 3.48 1.21 0.00 -1.26 -2.62 105.19 108.85 2b45 n GLY 62 Ca 0.12 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2b45 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b45 s ASN 63 N -4.00 6.27 0.04 1.61 2.47 -1.26 -2.23 114.94 117.83 2b45 s ASN 63 Ca 0.00 -0.69 -0.03 0.00 0.42 0.00 0.00 52.86 52.56 2b45 s ASN 63 Cb 0.00 -2.34 -0.02 0.00 -1.45 0.00 0.00 41.25 37.44 2b45 s ASN 63 CO 0.00 -0.98 0.03 -0.83 -3.72 0.00 0.00 177.10 171.60 2b45 s GLY 64 N 2.67 0.26 -0.01 1.21 0.00 -1.26 -1.73 107.32 108.46 2b45 s GLY 64 Ca 0.20 -0.71 0.08 0.00 0.00 0.00 0.00 44.72 44.29 2b45 s GLY 64 CO 0.15 -0.83 -0.25 -0.19 0.00 0.00 0.00 173.10 171.98 2b45 s TYR 65 N -2.59 2.35 -0.36 1.90 2.02 0.86 -2.07 117.35 119.45 2b45 s TYR 65 Ca -0.05 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.15 2b45 s TYR 65 Cb -0.01 -1.48 0.05 0.00 -0.40 0.00 0.00 41.96 40.11 2b45 s TYR 65 CO -0.05 0.01 0.16 -1.17 -1.57 0.00 0.00 175.55 172.94 2b45 s LEU 66 N -0.78 4.60 -0.19 -1.29 2.96 -0.20 -1.47 118.68 122.33 2b45 s LEU 66 Ca 0.11 -1.20 -0.20 0.00 -0.22 0.00 0.00 54.13 52.62 2b45 s LEU 66 Cb -0.10 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.71 2b45 s LEU 66 CO -0.00 -0.39 0.55 0.28 -1.32 0.00 0.00 176.35 175.47 2b45 s THR 67 N 1.44 0.00 0.35 3.68 -1.32 -0.63 -1.10 115.64 118.05 2b45 s THR 67 Ca 0.00 -0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 2b45 s THR 67 Cb -0.20 -0.78 -0.11 0.00 -1.51 0.00 0.00 72.50 69.90 2b45 s THR 67 CO 0.03 -0.02 1.45 -0.22 -2.21 0.00 0.00 174.62 173.66 2b45 s LEU 68 N 0.09 4.35 -0.06 9.08 2.96 -0.38 0.21 118.68 134.94 2b45 s LEU 68 Ca -0.02 2.93 -0.03 0.00 -0.22 0.00 0.00 54.13 56.79 2b45 s LEU 68 Cb -0.04 -3.66 0.03 0.00 0.50 0.00 0.00 46.19 43.03 2b45 s LEU 68 CO 0.02 -0.78 0.13 -0.47 -1.32 0.00 0.00 176.35 173.93 2b45 s TYR 69 N -0.93 -0.15 0.11 5.38 5.04 0.21 -2.02 117.35 125.00 2b45 s TYR 69 Ca 0.53 0.42 -0.25 0.00 -2.44 0.00 0.00 57.07 55.33 2b45 s TYR 69 Cb -0.45 -0.05 0.08 0.00 0.35 0.00 0.00 41.96 41.90 2b45 s TYR 69 CO 0.58 -0.13 1.10 0.20 -1.34 0.00 0.00 175.55 175.95 2b45 s GLY 70 N 0.81 -0.13 0.05 8.97 0.00 -0.84 -0.70 107.32 115.49 2b45 s GLY 70 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.75 2b45 s GLY 70 CO -0.04 1.59 -0.10 -0.98 0.00 0.00 0.00 173.10 173.57 2b45 s TRP 71 N -2.54 0.83 0.25 1.90 0.52 -0.99 -1.08 118.94 117.83 2b45 s TRP 71 Ca 0.18 -0.48 0.11 0.00 0.02 0.00 0.00 56.10 55.93 2b45 s TRP 71 Cb -0.00 -0.48 -0.05 0.00 -1.15 0.00 0.00 33.47 31.79 2b45 s TRP 71 CO 0.02 -0.04 -0.14 0.95 0.02 0.00 0.00 176.95 177.76 2b45 s THR 72 N -1.32 2.83 0.40 2.01 -4.23 -0.61 -1.99 115.64 112.74 2b45 s THR 72 Ca -0.07 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.38 2b45 s THR 72 Cb -0.10 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 2b45 s THR 72 CO 0.01 -0.33 0.30 -0.13 -0.54 0.00 0.00 174.62 173.93 2b45 s ARG 73 N -3.38 2.44 -0.70 3.99 0.52 0.44 -1.40 118.95 120.86 2b45 s ARG 73 Ca 0.29 -1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 53.87 2b45 s ARG 73 Cb -0.06 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 2b45 s ARG 73 CO 0.16 -0.13 0.60 0.43 0.02 0.00 0.00 175.30 176.38 2b45 n SER 74 N -1.41 -3.31 -4.79 0.23 7.64 -1.26 -1.67 113.62 109.05 2b45 n SER 74 Ca 0.01 -0.41 -0.22 0.00 1.01 0.00 0.00 58.87 59.26 2b45 n SER 74 Cb 0.62 -3.40 0.09 0.00 -1.01 0.00 0.00 64.21 60.51 2b45 n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2b45 s PRO 75 N -4.41 1.86 -0.26 1.43 0.04 -1.26 -2.45 135.00 129.95 2b45 s PRO 75 Ca 0.13 -1.34 -0.29 0.00 0.04 0.00 0.00 61.00 59.54 2b45 s PRO 75 Cb -0.02 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 2b45 s PRO 75 CO 0.46 -1.27 1.57 -1.17 0.04 0.00 0.00 177.00 176.63 2b45 s LEU 76 N -4.98 3.81 -0.05 -3.56 2.96 -1.26 -4.00 118.68 111.60 2b45 s LEU 76 Ca 0.65 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 56.02 2b45 s LEU 76 Cb -0.05 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.12 2b45 s LEU 76 CO 0.43 -1.30 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.43 2b45 s ILE 77 N 5.30 0.89 -0.20 6.68 -1.09 -0.49 -3.20 121.20 129.10 2b45 s ILE 77 Ca 0.69 -0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.64 2b45 s ILE 77 Cb -0.22 -0.83 -0.05 0.00 -1.58 0.00 0.00 42.46 39.78 2b45 s ILE 77 CO 0.29 0.30 0.21 -0.70 -1.23 0.00 0.00 174.94 173.81 2b45 s GLU 78 N 0.64 4.18 0.14 2.79 2.12 -0.42 -1.57 118.70 126.58 2b45 s GLU 78 Ca -0.12 -0.09 0.08 0.00 0.36 0.00 0.00 54.97 55.20 2b45 s GLU 78 Cb -0.14 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 2b45 s GLU 78 CO 0.02 0.19 -0.17 1.52 -0.54 0.00 0.00 175.26 176.27 2b45 s TYR 79 N 0.66 1.67 0.00 5.30 -0.85 -0.24 -0.75 117.35 123.15 2b45 s TYR 79 Ca 0.12 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 2b45 s TYR 79 Cb -0.13 -0.86 -0.00 0.00 0.38 0.00 0.00 41.96 41.35 2b45 s TYR 79 CO 0.02 0.24 -0.04 0.71 -1.52 0.00 0.00 175.55 174.97 2b45 s TYR 80 N -1.86 0.35 -0.34 -3.49 1.51 -0.15 -1.99 117.35 111.38 2b45 s TYR 80 Ca 0.11 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 2b45 s TYR 80 Cb -0.07 -0.22 0.10 0.00 -0.11 0.00 0.00 41.96 41.67 2b45 s TYR 80 CO 0.05 -0.02 0.10 0.08 -1.11 0.00 0.00 175.55 174.65 2b45 s VAL 81 N -0.22 1.61 -0.27 0.71 1.01 -0.86 -1.19 120.40 121.20 2b45 s VAL 81 Ca 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 61.98 59.78 2b45 s VAL 81 Cb -0.02 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2b45 s VAL 81 CO -0.00 -0.67 0.62 -0.69 0.00 0.00 0.00 175.10 174.36 2b45 s VAL 82 N 1.11 4.98 -0.20 2.92 1.01 0.61 -1.25 120.40 129.58 2b45 s VAL 82 Ca 0.11 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.25 2b45 s VAL 82 Cb -0.19 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 2b45 s VAL 82 CO -0.14 -0.01 0.04 0.47 0.00 0.00 0.00 175.10 175.45 2b45 n ASP 83 N 5.74 0.90 -4.00 3.32 8.00 -0.26 -1.43 116.55 128.83 2b45 n ASP 83 Ca -0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2b45 n ASP 83 Cb 0.49 0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.81 2b45 n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2b45 s SER 84 N -6.00 0.04 0.16 -2.24 0.15 -1.00 -0.50 113.70 104.30 2b45 s SER 84 Ca -0.19 -0.95 -0.03 0.00 0.70 0.00 0.00 55.95 55.49 2b45 s SER 84 Cb 0.07 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2b45 s SER 84 CO 0.75 -0.92 0.25 -2.67 1.20 0.00 0.00 173.24 171.85 2b45 n TRP 85 N -0.24 -1.10 0.00 3.44 2.14 -1.26 -1.03 117.44 119.39 2b45 n TRP 85 Ca -0.05 -0.95 0.00 0.00 2.07 0.00 0.00 57.50 58.57 2b45 n TRP 85 Cb 0.63 0.29 0.00 0.00 -0.81 0.00 0.00 31.31 31.42 2b45 n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2b45 n GLY 86 N -0.24 0.39 0.00 -1.67 0.00 -0.88 -4.92 105.19 97.87 2b45 n GLY 86 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2b45 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b45 n THR 87 N 0.00 0.02 -3.89 2.61 -2.24 -0.95 -4.83 114.28 105.01 2b45 n THR 87 Ca 0.00 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.48 2b45 n THR 87 Cb 0.00 0.40 -0.17 0.00 -2.10 0.00 0.00 70.33 68.47 2b45 n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2b45 s TYR 88 N -3.02 1.60 -0.33 4.78 5.04 -1.26 -5.00 117.35 119.16 2b45 s TYR 88 Ca 0.10 -0.95 -0.19 0.00 -2.44 0.00 0.00 57.07 53.58 2b45 s TYR 88 Cb 0.17 -1.27 -0.01 0.00 0.35 0.00 0.00 41.96 41.20 2b45 s TYR 88 CO 0.74 -0.58 0.57 0.50 -1.34 0.00 0.00 175.55 175.44 2b45 s ARG 89 N 1.67 3.75 0.39 4.97 3.52 -1.26 -4.85 118.95 127.14 2b45 s ARG 89 Ca 0.02 0.05 -0.25 0.00 -0.13 0.00 0.00 55.73 55.42 2b45 s ARG 89 Cb -0.14 -3.77 -0.09 0.00 -1.56 0.00 0.00 34.95 29.39 2b45 s ARG 89 CO -0.08 -0.61 1.08 -1.25 -0.81 0.00 0.00 175.30 173.63 2b45 s PRO 90 N 2.51 4.17 0.18 5.12 0.04 -1.26 -5.04 135.00 140.72 2b45 s PRO 90 Ca 0.22 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2b45 s PRO 90 Cb -0.15 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2b45 s PRO 90 CO 0.13 -0.16 0.20 0.25 0.04 0.00 0.00 177.00 177.46 2b45 n THR 91 N 0.08 0.00 0.00 1.26 -2.24 -1.26 -4.91 114.28 107.21 2b45 n THR 91 Ca 0.04 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2b45 n THR 91 Cb 0.48 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2b45 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b45 n GLY 92 N -0.33 3.17 3.62 3.38 0.00 -1.26 -5.03 105.19 108.74 2b45 n GLY 92 Ca 0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2b45 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b45 s THR 93 N 0.28 4.64 0.18 2.61 2.01 -0.19 -4.84 115.64 120.33 2b45 s THR 93 Ca 0.00 1.38 -0.31 0.00 0.31 0.00 0.00 61.69 63.07 2b45 s THR 93 Cb 0.00 -4.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 2b45 s THR 93 CO 0.00 -0.40 1.57 -0.47 -0.69 0.00 0.00 174.62 174.63 2b45 s TYR 94 N 3.33 3.04 -0.06 4.92 5.04 -1.26 -1.31 117.35 131.04 2b45 s TYR 94 Ca 0.38 0.65 0.01 0.00 -2.44 0.00 0.00 57.07 55.67 2b45 s TYR 94 Cb -0.13 -3.94 -0.05 0.00 0.35 0.00 0.00 41.96 38.20 2b45 s TYR 94 CO 0.15 -3.42 -0.04 1.63 -1.34 0.00 0.00 175.55 172.53 2b45 n LYS 95 N 3.79 0.85 -3.52 4.97 4.76 -0.15 -4.95 118.16 123.91 2b45 n LYS 95 Ca 0.13 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2b45 n LYS 95 Cb 0.38 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2b45 n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b45 n GLY 96 N 3.06 -1.00 3.26 0.72 0.00 -1.23 -5.01 105.19 105.00 2b45 n GLY 96 Ca -0.11 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 2b45 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b45 s THR 97 N -3.00 1.22 -0.05 2.61 -4.23 -1.26 -0.16 115.64 110.77 2b45 s THR 97 Ca 0.00 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 2b45 s THR 97 Cb 0.00 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.96 2b45 s THR 97 CO 0.00 -0.71 0.12 0.54 -0.54 0.00 0.00 174.62 174.03 2b45 s VAL 98 N -3.30 -0.01 -0.18 2.29 0.11 0.16 -4.93 120.40 114.55 2b45 s VAL 98 Ca 0.18 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.17 2b45 s VAL 98 Cb 0.02 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2b45 s VAL 98 CO 0.02 0.01 0.07 -0.54 -3.33 0.00 0.00 175.10 171.33 2b45 s LYS 99 N 0.20 4.00 -0.25 1.54 1.02 -1.26 -0.04 119.74 124.95 2b45 s LYS 99 Ca -0.01 -0.32 -0.23 0.00 0.02 0.00 0.00 55.97 55.43 2b45 s LYS 99 Cb -0.02 -3.24 0.07 0.00 -0.52 0.00 0.00 37.83 34.11 2b45 s LYS 99 CO -0.01 0.29 0.67 0.45 -0.92 0.00 0.00 175.35 175.83 2b45 s SER 100 N 0.33 -0.71 -1.44 2.83 0.15 -0.43 -4.98 113.70 109.45 2b45 s SER 100 Ca 0.04 1.35 -0.05 0.00 0.70 0.00 0.00 55.95 57.99 2b45 s SER 100 Cb -0.12 1.36 0.04 0.00 -1.71 0.00 0.00 66.02 65.59 2b45 s SER 100 CO -0.00 -0.23 0.65 0.47 1.20 0.00 0.00 173.24 175.32 2b45 n ASP 101 N 2.85 -1.77 0.00 5.45 8.00 -1.26 -1.56 116.55 128.26 2b45 n ASP 101 Ca -0.14 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2b45 n ASP 101 Cb 0.56 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 2b45 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b45 n GLY 102 N -1.74 0.44 3.21 0.44 0.00 -1.26 -4.95 105.19 101.33 2b45 n GLY 102 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2b45 n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b45 s GLY 103 N -2.00 1.00 -0.18 -0.02 0.00 -0.60 -5.13 107.32 100.39 2b45 s GLY 103 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 2b45 s GLY 103 CO 0.00 -0.94 0.31 -1.59 0.00 0.00 0.00 173.10 170.88 2b45 s THR 104 N -0.86 5.28 -0.04 0.90 2.01 -1.26 -1.31 115.64 120.36 2b45 s THR 104 Ca 0.05 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.66 2b45 s THR 104 Cb -0.09 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2b45 s THR 104 CO 0.02 0.35 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.77 2b45 s TYR 105 N 0.76 2.48 0.27 4.92 1.51 0.95 -0.79 117.35 127.44 2b45 s TYR 105 Ca 0.16 -0.41 -0.22 0.00 -1.01 0.00 0.00 57.07 55.60 2b45 s TYR 105 Cb -0.13 -1.57 -0.09 0.00 -0.11 0.00 0.00 41.96 40.06 2b45 s TYR 105 CO 0.05 -0.00 0.81 -0.51 -1.11 0.00 0.00 175.55 174.78 2b45 s ASP 106 N -0.54 7.15 -0.14 2.29 1.01 -0.14 -0.67 116.67 125.62 2b45 s ASP 106 Ca 0.08 1.57 -0.03 0.00 0.71 0.00 0.00 52.55 54.88 2b45 s ASP 106 Cb -0.11 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2b45 s ASP 106 CO 0.00 -0.02 -0.04 -0.63 0.21 0.00 0.00 175.17 174.69 2b45 s ILE 107 N -1.59 3.87 0.08 0.77 1.01 0.77 -0.81 121.20 125.31 2b45 s ILE 107 Ca 0.46 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.78 2b45 s ILE 107 Cb -0.17 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2b45 s ILE 107 CO 0.22 0.51 -0.10 -0.31 0.00 0.00 0.00 174.94 175.25 2b45 s TYR 108 N 0.21 1.02 0.06 3.97 2.02 -0.29 -0.98 117.35 123.36 2b45 s TYR 108 Ca -0.02 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.14 2b45 s TYR 108 Cb -0.14 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 2b45 s TYR 108 CO 0.03 -0.01 -0.18 0.95 -1.57 0.00 0.00 175.55 174.77 2b45 s THR 109 N -2.11 1.42 -0.08 -0.71 -4.23 -0.43 -1.54 115.64 107.96 2b45 s THR 109 Ca 0.02 -1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 2b45 s THR 109 Cb -0.05 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.54 2b45 s THR 109 CO 0.00 -0.00 0.20 -0.89 -0.54 0.00 0.00 174.62 173.39 2b45 s THR 110 N -1.00 -0.02 -0.20 3.99 2.01 -0.81 -1.02 115.64 118.59 2b45 s THR 110 Ca 0.04 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2b45 s THR 110 Cb -0.09 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 2b45 s THR 110 CO 0.02 0.04 0.18 -0.89 -0.69 0.00 0.00 174.62 173.28 2b45 s THR 111 N 0.72 5.37 -0.18 -0.82 2.01 -1.26 -0.01 115.64 121.47 2b45 s THR 111 Ca -0.05 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 2b45 s THR 111 Cb -0.07 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2b45 s THR 111 CO -0.04 0.40 0.02 -0.13 -0.69 0.00 0.00 174.62 174.18 2b45 s ARG 112 N 0.61 3.80 0.08 4.92 1.81 0.04 -5.00 118.95 125.22 2b45 s ARG 112 Ca 0.10 -0.44 0.07 0.00 -1.72 0.00 0.00 55.73 53.74 2b45 s ARG 112 Cb -0.12 -3.10 -0.04 0.00 -0.45 0.00 0.00 34.95 31.24 2b45 s ARG 112 CO 0.01 0.19 -0.14 0.71 -0.68 0.00 0.00 175.30 175.39 2b45 s TYR 113 N 0.55 2.64 -1.47 -0.53 2.02 -1.26 -1.92 117.35 117.38 2b45 s TYR 113 Ca 0.01 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.39 2b45 s TYR 113 Cb -0.14 -1.43 0.06 0.00 -0.40 0.00 0.00 41.96 40.05 2b45 s TYR 113 CO 0.02 0.36 0.88 0.09 -1.57 0.00 0.00 175.55 175.33 2b45 n ASN 114 N 1.04 -5.18 -4.41 2.29 5.03 -0.93 -4.90 115.26 108.19 2b45 n ASN 114 Ca -0.15 -0.58 -0.28 0.00 0.87 0.00 0.00 54.58 54.44 2b45 n ASN 114 Cb 0.52 -4.15 -0.12 0.00 -1.02 0.00 0.00 39.78 35.01 2b45 n ASN 114 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2b45 s ALA 115 N -3.22 2.46 0.30 5.41 0.00 0.04 -4.55 121.76 122.20 2b45 s ALA 115 Ca 0.55 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 2b45 s ALA 115 Cb -0.27 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.41 2b45 s ALA 115 CO 0.68 0.47 1.22 -2.14 0.00 0.00 0.00 175.76 175.99 2b45 s PRO 116 N -2.41 4.47 0.29 0.00 0.02 -1.03 -0.72 135.00 135.63 2b45 s PRO 116 Ca 0.18 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.25 2b45 s PRO 116 Cb -0.09 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 2b45 s PRO 116 CO 0.08 -0.03 0.37 -1.13 -0.33 0.00 0.00 177.00 175.96 2b45 n SER 117 N 1.05 -1.00 0.19 2.53 3.41 -0.48 -4.96 113.62 114.35 2b45 n SER 117 Ca -0.00 -2.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.07 2b45 n SER 117 Cb 0.43 1.95 0.66 0.00 -0.26 0.00 0.00 64.21 66.99 2b45 n SER 117 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2b45 h ILE 118 N 1.87 0.00 0.00 -1.33 3.07 -2.00 -2.79 117.51 116.32 2b45 h ILE 118 Ca -0.22 -0.11 -0.10 0.00 1.55 0.00 0.00 64.86 65.98 2b45 h ILE 118 Cb 1.01 0.77 -0.02 0.00 -0.27 0.00 0.00 36.82 38.31 2b45 h ILE 118 CO 0.31 0.00 -1.04 0.44 -1.05 0.00 0.00 178.15 176.81 2b45 h ASP 119 N 0.00 0.00 -0.58 2.16 5.19 -1.97 -3.51 116.42 117.71 2b45 h ASP 119 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2b45 h ASP 119 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2b45 h ASP 119 CO 0.00 0.37 0.00 0.61 -3.12 0.00 0.00 179.24 177.10 2b45 n GLY 120 N 1.29 -2.25 0.19 2.75 0.00 -1.06 -5.01 105.19 101.10 2b45 n GLY 120 Ca -0.04 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.63 2b45 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b45 h ASP 121 N 0.00 0.00 -2.75 1.61 3.32 -1.83 -1.29 116.42 115.48 2b45 h ASP 121 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2b45 h ASP 121 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 2b45 h ASP 121 CO 0.00 0.34 -0.77 -0.62 -1.72 0.00 0.00 179.24 176.47 2b45 s ASP 122 N -6.34 3.18 0.17 6.45 2.15 -1.25 -2.47 116.67 118.57 2b45 s ASP 122 Ca 0.01 -3.46 0.02 0.00 0.43 0.00 0.00 52.55 49.56 2b45 s ASP 122 Cb 0.10 -1.05 -0.05 0.00 -0.30 0.00 0.00 42.92 41.62 2b45 s ASP 122 CO 0.68 -0.13 -0.01 0.42 -0.17 0.00 0.00 175.17 175.97 2b45 s THR 123 N -0.70 0.74 -0.07 1.71 -4.23 0.10 -4.72 115.64 108.47 2b45 s THR 123 Ca 0.29 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2b45 s THR 123 Cb -0.01 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 2b45 s THR 123 CO -0.18 -0.50 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.36 2b45 s THR 124 N -3.62 2.95 0.20 3.99 2.01 -1.26 -0.78 115.64 119.14 2b45 s THR 124 Ca 0.23 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 2b45 s THR 124 Cb 0.06 -2.17 0.05 0.00 0.01 0.00 0.00 72.50 70.45 2b45 s THR 124 CO 0.04 0.57 0.90 0.72 -0.69 0.00 0.00 174.62 176.16 2b45 s PHE 125 N -0.43 -0.11 0.04 4.92 -0.12 -0.81 -4.92 117.98 116.54 2b45 s PHE 125 Ca 0.05 -0.26 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 2b45 s PHE 125 Cb -0.12 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2b45 s PHE 125 CO 0.02 -0.99 0.02 0.99 -0.05 0.00 0.00 175.22 175.21 2b45 s THR 126 N -3.30 4.19 -0.15 -4.49 2.01 -1.20 -0.78 115.64 111.93 2b45 s THR 126 Ca 0.13 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 2b45 s THR 126 Cb -0.03 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 2b45 s THR 126 CO 0.04 0.26 0.00 -1.10 -0.69 0.00 0.00 174.62 173.14 2b45 s GLN 127 N -1.90 3.63 -0.11 4.92 -0.21 0.99 -1.30 119.66 125.67 2b45 s GLN 127 Ca 0.23 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 2b45 s GLN 127 Cb -0.12 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.88 2b45 s GLN 127 CO 0.14 0.35 -0.04 0.71 -2.12 0.00 0.00 175.29 174.34 2b45 s TYR 128 N 0.09 3.03 -0.05 0.91 2.02 0.07 -1.92 117.35 121.50 2b45 s TYR 128 Ca 0.02 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 2b45 s TYR 128 Cb -0.13 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2b45 s TYR 128 CO 0.02 0.22 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.51 2b45 s TRP 129 N -0.36 1.40 -0.20 2.71 0.52 -0.59 -0.97 118.94 121.45 2b45 s TRP 129 Ca 0.06 -0.47 -0.06 0.00 0.02 0.00 0.00 56.10 55.65 2b45 s TRP 129 Cb -0.12 -1.01 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 2b45 s TRP 129 CO 0.02 -0.22 0.03 -1.12 0.02 0.00 0.00 176.95 175.68 2b45 s SER 130 N 0.47 5.08 -0.15 2.95 0.01 -0.33 -1.14 113.70 120.59 2b45 s SER 130 Ca -0.10 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.03 2b45 s SER 130 Cb -0.14 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.24 2b45 s SER 130 CO 0.03 0.08 -0.16 -0.69 0.41 0.00 0.00 173.24 172.91 2b45 s VAL 131 N 0.92 1.71 0.40 3.43 1.01 0.01 -0.28 120.40 127.60 2b45 s VAL 131 Ca 0.02 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 2b45 s VAL 131 Cb -0.14 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 2b45 s VAL 131 CO 0.02 0.48 1.43 -1.14 0.00 0.00 0.00 175.10 175.90 2b45 n ARG 132 N 4.62 2.43 0.12 2.72 0.63 -0.51 -0.97 116.66 125.70 2b45 n ARG 132 Ca -0.18 0.86 -0.01 0.00 -0.92 0.00 0.00 57.85 57.60 2b45 n ARG 132 Cb 0.50 -2.60 0.25 0.00 0.45 0.00 0.00 32.46 31.07 2b45 n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2b45 h GLN 133 N 2.64 0.17 -4.89 -0.14 4.20 -1.32 -3.44 115.11 112.34 2b45 h GLN 133 Ca -0.50 -0.08 -0.30 0.00 0.06 0.00 0.00 58.65 57.84 2b45 h GLN 133 Cb 1.26 -0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.87 2b45 h GLN 133 CO 0.63 0.55 -0.72 -1.54 -0.67 0.00 0.00 178.83 177.08 2b45 s SER 134 N -6.89 1.42 0.23 1.46 1.04 -1.26 -5.09 113.70 104.60 2b45 s SER 134 Ca -0.04 -0.89 -0.31 0.00 0.48 0.00 0.00 55.95 55.19 2b45 s SER 134 Cb 0.14 0.03 -0.11 0.00 0.10 0.00 0.00 66.02 66.17 2b45 s SER 134 CO 0.76 -0.32 1.66 -0.54 0.98 0.00 0.00 173.24 175.78 2b45 s LYS 135 N -3.17 4.14 0.22 4.02 1.02 -1.26 -4.93 119.74 119.78 2b45 s LYS 135 Ca 0.08 2.56 -0.30 0.00 0.02 0.00 0.00 55.97 58.34 2b45 s LYS 135 Cb -0.00 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 2b45 s LYS 135 CO -0.01 -0.70 1.36 0.50 -0.92 0.00 0.00 175.35 175.58 2b45 s ARG 136 N 0.70 4.34 0.61 1.68 3.52 0.34 -4.99 118.95 125.15 2b45 s ARG 136 Ca 0.71 2.15 -0.19 0.00 -0.13 0.00 0.00 55.73 58.26 2b45 s ARG 136 Cb -0.48 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2b45 s ARG 136 CO 0.36 -0.31 1.32 -2.14 -0.81 0.00 0.00 175.30 173.71 2b45 s PRO 137 N -0.22 2.79 0.35 5.12 0.02 -1.26 -4.81 135.00 136.99 2b45 s PRO 137 Ca 0.58 2.12 0.09 0.00 0.02 0.00 0.00 61.00 63.81 2b45 s PRO 137 Cb -0.38 -2.01 -0.07 0.00 0.02 0.00 0.00 34.50 32.06 2b45 s PRO 137 CO 0.40 -1.43 -0.07 0.95 -0.33 0.00 0.00 177.00 176.53 2b45 s THR 138 N -1.36 2.13 0.00 0.99 -4.23 -1.26 -4.78 115.64 107.13 2b45 s THR 138 Ca 0.78 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2b45 s THR 138 Cb -0.38 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2b45 s THR 138 CO 0.42 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2b45 n GLY 139 N -0.82 0.52 3.63 3.99 0.00 -0.41 -5.00 105.19 107.11 2b45 n GLY 139 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2b45 n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b45 s SER 140 N -1.88 4.53 0.26 1.61 1.04 -1.26 -4.87 113.70 113.13 2b45 s SER 140 Ca 0.00 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 2b45 s SER 140 Cb 0.00 -0.86 -0.10 0.00 0.10 0.00 0.00 66.02 65.16 2b45 s SER 140 CO 0.00 0.04 1.50 0.20 0.98 0.00 0.00 173.24 175.96 2b45 s ASN 141 N -3.34 6.56 0.07 7.02 0.01 -1.26 -4.58 114.94 119.41 2b45 s ASN 141 Ca 0.29 2.76 0.07 0.00 -0.71 0.00 0.00 52.86 55.27 2b45 s ASN 141 Cb -0.08 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 2b45 s ASN 141 CO 0.19 -0.78 -0.18 0.00 -1.51 0.00 0.00 177.10 174.82 2b45 s ALA 142 N 0.05 1.56 0.10 0.60 0.00 0.42 -5.00 121.76 119.49 2b45 s ALA 142 Ca 0.61 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2b45 s ALA 142 Cb -0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2b45 s ALA 142 CO 0.44 0.31 -0.21 0.95 0.00 0.00 0.00 175.76 177.26 2b45 s THR 143 N -1.02 2.65 -0.31 0.00 -4.23 -1.26 -1.32 115.64 110.14 2b45 s THR 143 Ca 0.04 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2b45 s THR 143 Cb -0.09 -2.17 0.08 0.00 1.34 0.00 0.00 72.50 71.66 2b45 s THR 143 CO 0.03 0.17 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.65 2b45 s ILE 144 N -1.05 2.42 -1.11 2.99 1.01 0.43 -4.79 121.20 121.09 2b45 s ILE 144 Ca 0.16 -1.93 -0.21 0.00 0.00 0.00 0.00 60.65 58.66 2b45 s ILE 144 Cb -0.10 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.83 2b45 s ILE 144 CO 0.07 -0.33 1.56 -0.89 0.00 0.00 0.00 174.94 175.35 2b45 s THR 145 N 1.04 3.98 0.46 2.92 2.01 -1.26 -1.58 115.64 123.21 2b45 s THR 145 Ca 0.01 -1.14 0.14 0.00 0.31 0.00 0.00 61.69 61.01 2b45 s THR 145 Cb -0.20 -5.09 0.21 0.00 0.01 0.00 0.00 72.50 67.44 2b45 s THR 145 CO -0.06 -1.95 2.04 0.15 -0.69 0.00 0.00 174.62 174.11 2b45 h PHE 146 N 9.08 0.08 -0.84 4.92 3.57 -1.83 -1.39 116.94 130.53 2b45 h PHE 146 Ca 0.28 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.92 2b45 h PHE 146 Cb 0.96 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 2b45 h PHE 146 CO 1.33 0.16 0.55 1.79 -2.23 0.00 0.00 178.31 179.91 2b45 h THR 147 N 0.08 0.83 -0.63 4.41 1.35 -1.73 -0.44 112.91 116.78 2b45 h THR 147 Ca 0.02 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.64 2b45 h THR 147 Cb 0.19 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 2b45 h THR 147 CO 0.01 0.11 0.24 0.78 -0.25 0.00 0.00 175.52 176.41 2b45 h ASN 148 N 0.60 0.85 -0.13 5.36 -0.26 -1.57 0.17 115.58 120.60 2b45 h ASN 148 Ca 0.42 -0.12 -0.15 0.00 -0.56 0.00 0.00 56.30 55.89 2b45 h ASN 148 Cb 0.75 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2b45 h ASN 148 CO -0.17 0.77 -0.50 0.45 -1.06 0.00 0.00 177.43 176.91 2b45 h HIS 149 N 0.91 0.75 -0.54 1.19 3.86 -1.25 -2.47 115.15 117.60 2b45 h HIS 149 Ca 0.21 -0.32 0.04 0.00 -1.16 0.00 0.00 60.37 59.15 2b45 h HIS 149 Cb 0.19 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.50 2b45 h HIS 149 CO 0.01 1.10 0.29 0.28 0.86 0.00 0.00 177.93 180.47 2b45 h VAL 150 N 0.20 0.97 -0.45 2.45 2.07 -1.00 0.36 116.25 120.85 2b45 h VAL 150 Ca -0.03 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 2b45 h VAL 150 Cb 1.14 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2b45 h VAL 150 CO 0.11 0.10 -0.19 0.78 0.02 0.00 0.00 177.57 178.39 2b45 h ASN 151 N 0.56 0.90 -0.14 0.57 2.35 -0.99 -0.66 115.58 118.16 2b45 h ASN 151 Ca 0.24 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 2b45 h ASN 151 Cb 0.13 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2b45 h ASN 151 CO -0.15 1.06 -0.26 0.00 -1.65 0.00 0.00 177.43 176.43 2b45 h ALA 152 N 1.01 0.22 -0.30 -0.83 0.00 -1.12 -2.37 119.26 115.87 2b45 h ALA 152 Ca 0.11 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2b45 h ALA 152 Cb 0.73 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2b45 h ALA 152 CO 0.06 0.21 -0.10 -1.49 0.00 0.00 0.00 179.25 177.92 2b45 h TRP 153 N 0.03 -0.22 -0.77 0.00 6.55 -0.84 -1.98 115.95 118.72 2b45 h TRP 153 Ca 0.01 0.03 0.14 0.00 0.95 0.00 0.00 58.89 60.01 2b45 h TRP 153 Cb 0.84 0.14 -0.09 0.00 -0.86 0.00 0.00 29.16 29.19 2b45 h TRP 153 CO 0.10 -0.16 0.34 -0.22 -1.05 0.00 0.00 178.44 177.45 2b45 h LYS 154 N -0.04 0.50 0.00 0.49 3.64 -0.81 0.56 116.57 120.90 2b45 h LYS 154 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2b45 h LYS 154 Cb 0.26 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2b45 h LYS 154 CO -0.32 0.33 -0.05 0.66 -2.27 0.00 0.00 179.45 177.79 2b45 h SER 155 N 0.51 0.00 -0.60 4.20 4.64 -0.82 -1.19 113.55 120.29 2b45 h SER 155 Ca 0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.66 2b45 h SER 155 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.64 2b45 h SER 155 CO -0.37 0.05 0.10 1.41 -0.87 0.00 0.00 176.83 177.14 2b45 n HIS 156 N -3.34 2.09 -1.29 4.77 8.25 -0.58 -4.94 115.22 120.19 2b45 n HIS 156 Ca -0.02 -0.93 -0.07 0.00 -0.26 0.00 0.00 57.72 56.44 2b45 n HIS 156 Cb 0.20 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.72 2b45 n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2b45 n GLY 157 N 0.20 0.84 3.21 -1.41 0.00 -0.45 -4.98 105.19 102.60 2b45 n GLY 157 Ca 0.32 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2b45 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b45 s MET 158 N -2.77 3.19 -0.06 1.61 -1.94 0.08 -4.98 119.30 114.45 2b45 s MET 158 Ca 0.00 -2.63 -0.13 0.00 -1.71 0.00 0.00 55.69 51.22 2b45 s MET 158 Cb 0.00 -4.11 -0.05 0.00 2.01 0.00 0.00 34.83 32.68 2b45 s MET 158 CO 0.00 -1.24 0.33 -0.80 -0.01 0.00 0.00 175.02 173.30 2b45 s ASN 159 N 1.25 6.65 0.60 3.03 0.02 -1.26 -2.51 114.94 122.72 2b45 s ASN 159 Ca 0.19 0.77 -0.08 0.00 -1.02 0.00 0.00 52.86 52.73 2b45 s ASN 159 Cb -0.14 -2.20 -0.00 0.00 0.02 0.00 0.00 41.25 38.93 2b45 s ASN 159 CO -0.07 0.30 0.94 -0.76 0.02 0.00 0.00 177.10 177.53 2b45 s LEU 160 N -0.78 3.21 0.85 0.60 1.43 -1.26 -4.98 118.68 117.76 2b45 s LEU 160 Ca 0.21 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 2b45 s LEU 160 Cb -0.15 -3.77 0.10 0.00 0.03 0.00 0.00 46.19 42.41 2b45 s LEU 160 CO 0.10 -1.04 1.09 -0.83 0.23 0.00 0.00 176.35 175.90 2b45 s GLY 161 N -4.28 1.62 0.00 -3.19 0.00 -1.26 -4.78 107.32 95.44 2b45 s GLY 161 Ca 0.54 -0.09 0.24 0.00 0.00 0.00 0.00 44.72 45.41 2b45 s GLY 161 CO 0.47 0.37 1.28 -1.14 0.00 0.00 0.00 173.10 174.08 2b45 n SER 162 N -3.71 0.90 -4.25 1.64 3.41 -0.97 -4.77 113.62 105.87 2b45 n SER 162 Ca 0.07 -0.71 -0.38 0.00 -0.26 0.00 0.00 58.87 57.59 2b45 n SER 162 Cb 0.55 0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 64.82 2b45 n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b45 s ASN 163 N -2.84 5.30 -0.18 4.04 3.84 -0.67 -5.01 114.94 119.43 2b45 s ASN 163 Ca 0.14 -1.25 -0.22 0.00 0.21 0.00 0.00 52.86 51.73 2b45 s ASN 163 Cb 0.18 -1.86 -0.02 0.00 -0.55 0.00 0.00 41.25 38.99 2b45 s ASN 163 CO 0.69 -0.36 0.70 0.26 -2.79 0.00 0.00 177.10 175.60 2b45 s TRP 164 N 1.37 3.41 0.00 0.43 0.52 -1.26 -0.42 118.94 122.99 2b45 s TRP 164 Ca -0.01 1.06 0.00 0.00 0.02 0.00 0.00 56.10 57.17 2b45 s TRP 164 Cb -0.20 -2.87 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 2b45 s TRP 164 CO 0.02 -0.17 0.00 0.00 0.02 0.00 0.00 176.95 176.82 2b45 n ALA 165 N 5.00 0.00 -1.07 0.98 0.00 -0.84 -4.45 120.51 120.14 2b45 n ALA 165 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2b45 n ALA 165 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 2b45 n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2b45 s TYR 166 N 1.79 2.19 -0.22 0.00 -0.85 -1.09 -0.73 117.35 118.45 2b45 s TYR 166 Ca 0.00 1.48 -0.03 0.00 -0.52 0.00 0.00 57.07 58.00 2b45 s TYR 166 Cb 0.00 -3.15 0.11 0.00 0.38 0.00 0.00 41.96 39.30 2b45 s TYR 166 CO 0.00 -2.37 0.26 -1.14 -1.52 0.00 0.00 175.55 170.79 2b45 s GLN 167 N -4.83 0.24 0.10 -3.49 0.74 -0.44 -2.35 119.66 109.63 2b45 s GLN 167 Ca 0.64 0.23 0.05 0.00 0.05 0.00 0.00 55.36 56.33 2b45 s GLN 167 Cb -0.19 -0.99 -0.03 0.00 1.10 0.00 0.00 33.01 32.90 2b45 s GLN 167 CO 0.57 -0.70 -0.14 0.14 -0.55 0.00 0.00 175.29 174.62 2b45 s VAL 168 N 2.38 1.18 -0.46 1.34 -7.23 0.13 -0.91 120.40 116.82 2b45 s VAL 168 Ca 0.08 -1.53 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 2b45 s VAL 168 Cb -0.15 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.52 2b45 s VAL 168 CO -0.16 -0.35 0.59 -0.32 -0.31 0.00 0.00 175.10 174.55 2b45 s MET 169 N -2.28 3.17 0.17 4.82 1.75 -0.49 -0.62 119.30 125.82 2b45 s MET 169 Ca 0.04 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 53.88 2b45 s MET 169 Cb -0.07 -4.02 -0.04 0.00 2.84 0.00 0.00 34.83 33.54 2b45 s MET 169 CO 0.02 -1.06 -0.06 0.00 -0.65 0.00 0.00 175.02 173.27 2b45 s ALA 170 N 2.59 3.05 -0.33 4.11 0.00 0.13 -3.46 121.76 127.85 2b45 s ALA 170 Ca 0.17 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 2b45 s ALA 170 Cb -0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 2b45 s ALA 170 CO 0.15 0.48 0.21 0.99 0.00 0.00 0.00 175.76 177.59 2b45 s THR 171 N -1.69 5.08 -0.09 0.00 2.01 0.52 -1.61 115.64 119.86 2b45 s THR 171 Ca 0.26 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2b45 s THR 171 Cb -0.09 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2b45 s THR 171 CO 0.16 0.04 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.42 2b45 s GLU 172 N 1.69 3.02 0.07 4.92 2.12 -0.54 -1.52 118.70 128.46 2b45 s GLU 172 Ca 0.06 -0.44 0.06 0.00 0.36 0.00 0.00 54.97 55.01 2b45 s GLU 172 Cb -0.17 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 2b45 s GLU 172 CO 0.09 0.65 -0.17 0.20 -0.54 0.00 0.00 175.26 175.49 2b45 s GLY 173 N -0.74 1.00 -0.14 -1.50 0.00 -0.72 -0.10 107.32 105.12 2b45 s GLY 173 Ca 0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 2b45 s GLY 173 CO 0.02 -1.04 -0.01 -0.47 0.00 0.00 0.00 173.10 171.60 2b45 s TYR 174 N -1.08 1.12 -1.17 1.90 6.04 -0.71 -2.16 117.35 121.29 2b45 s TYR 174 Ca 0.03 -0.68 -0.23 0.00 0.04 0.00 0.00 57.07 56.23 2b45 s TYR 174 Cb -0.09 -1.04 0.00 0.00 -1.04 0.00 0.00 41.96 39.79 2b45 s TYR 174 CO 0.03 -0.51 0.75 1.04 -1.54 0.00 0.00 175.55 175.32 2b45 n GLN 175 N 5.03 -1.13 -4.01 4.97 6.02 -0.12 -4.39 117.38 123.75 2b45 n GLN 175 Ca -0.09 0.37 -0.13 0.00 -0.01 0.00 0.00 57.00 57.14 2b45 n GLN 175 Cb 0.48 -3.81 -0.02 0.00 1.02 0.00 0.00 30.24 27.91 2b45 n GLN 175 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2b45 s SER 176 N -3.53 0.66 0.23 1.08 1.04 -1.26 -4.63 113.70 107.30 2b45 s SER 176 Ca 0.45 -1.39 0.04 0.00 0.48 0.00 0.00 55.95 55.54 2b45 s SER 176 Cb -0.18 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2b45 s SER 176 CO 0.89 -1.41 -0.02 -0.44 0.98 0.00 0.00 173.24 173.23 2b45 s SER 177 N -3.19 1.99 0.00 7.02 0.01 -1.08 -1.76 113.70 116.70 2b45 s SER 177 Ca 0.26 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2b45 s SER 177 Cb -0.02 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2b45 s SER 177 CO 0.18 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2b45 n GLY 178 N -0.43 -1.51 3.06 3.44 0.00 0.18 -0.06 105.19 109.89 2b45 n GLY 178 Ca -0.06 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 2b45 n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b45 s SER 179 N -2.99 -0.07 0.08 1.61 0.01 -0.72 -1.02 113.70 110.60 2b45 s SER 179 Ca 0.00 0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.26 2b45 s SER 179 Cb 0.00 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 2b45 s SER 179 CO 0.00 -0.20 0.13 -0.94 0.41 0.00 0.00 173.24 172.64 2b45 s SER 180 N -0.60 0.22 -0.14 2.44 1.04 0.10 -0.91 113.70 115.85 2b45 s SER 180 Ca -0.07 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 2b45 s SER 180 Cb -0.04 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.45 2b45 s SER 180 CO 0.01 -0.70 0.30 0.21 0.98 0.00 0.00 173.24 174.04 2b45 s ASN 181 N -2.88 0.08 -0.03 7.02 3.84 -0.34 -1.20 114.94 121.43 2b45 s ASN 181 Ca 0.06 0.67 -0.04 0.00 0.21 0.00 0.00 52.86 53.76 2b45 s ASN 181 Cb 0.06 0.77 0.01 0.00 -0.55 0.00 0.00 41.25 41.54 2b45 s ASN 181 CO -0.11 -0.22 0.10 -0.69 -2.79 0.00 0.00 177.10 173.39 2b45 s VAL 182 N 2.19 0.01 -0.05 -5.21 1.01 -0.57 -0.94 120.40 116.84 2b45 s VAL 182 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.92 2b45 s VAL 182 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2b45 s VAL 182 CO -0.10 -0.06 -0.23 -0.89 0.00 0.00 0.00 175.10 173.83 2b45 s THR 183 N -0.14 1.89 -0.03 3.92 2.01 -0.58 -0.78 115.64 121.93 2b45 s THR 183 Ca -0.02 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.06 2b45 s THR 183 Cb -0.02 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2b45 s THR 183 CO 0.00 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.59 2b45 s VAL 184 N -0.11 1.46 0.00 3.82 1.01 -0.18 -1.10 120.40 125.31 2b45 s VAL 184 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2b45 s VAL 184 Cb -0.13 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2b45 s VAL 184 CO 0.03 0.42 0.00 -2.67 0.00 0.00 0.00 175.10 172.88