#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvv s SER 2 N 0.00 6.98 0.51 0.00 0.01 -1.26 -4.48 113.70 115.47 2bvv s SER 2 Ca 0.00 1.85 -0.19 0.00 1.31 0.00 0.00 55.95 58.92 2bvv s SER 2 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 2bvv s SER 2 CO 0.00 -0.65 1.05 0.42 0.41 0.00 0.00 173.24 174.47 2bvv s THR 3 N 2.57 3.74 -0.00 1.44 -4.23 -1.26 -4.96 115.64 112.93 2bvv s THR 3 Ca 0.57 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 62.11 2bvv s THR 3 Cb -0.25 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.17 2bvv s THR 3 CO 0.21 -0.29 0.70 -0.90 -0.54 0.00 0.00 174.62 173.80 2bvv n ASP 4 N -1.23 0.71 -3.99 3.99 5.68 0.12 -4.97 116.55 116.86 2bvv n ASP 4 Ca 0.09 -1.41 -0.19 0.00 -0.50 0.00 0.00 54.79 52.78 2bvv n ASP 4 Cb 0.52 -0.02 -0.15 0.00 -1.14 0.00 0.00 41.12 40.34 2bvv n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2bvv s TYR 5 N -0.39 0.83 -0.23 2.11 5.04 -0.60 -4.61 117.35 119.50 2bvv s TYR 5 Ca 0.01 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2bvv s TYR 5 Cb 0.01 -0.60 0.03 0.00 0.35 0.00 0.00 41.96 41.75 2bvv s TYR 5 CO 0.00 -0.08 -0.11 -0.46 -1.34 0.00 0.00 175.55 173.55 2bvv s TRP 6 N 0.17 3.03 -0.27 4.97 -0.11 -1.26 -1.52 118.94 123.95 2bvv s TRP 6 Ca -0.02 -1.77 -0.10 0.00 1.22 0.00 0.00 56.10 55.43 2bvv s TRP 6 Cb -0.08 -1.99 -0.05 0.00 -1.50 0.00 0.00 33.47 29.86 2bvv s TRP 6 CO 0.00 -0.79 0.16 -1.14 -4.62 0.00 0.00 176.95 170.57 2bvv s GLN 7 N 1.26 3.92 -0.40 5.86 2.00 0.71 -4.99 119.66 128.02 2bvv s GLN 7 Ca -0.01 -0.34 0.03 0.00 -2.00 0.00 0.00 55.36 53.05 2bvv s GLN 7 Cb -0.16 -3.58 0.16 0.00 0.80 0.00 0.00 33.01 30.23 2bvv s GLN 7 CO -0.07 -0.13 0.38 1.21 -0.50 0.00 0.00 175.29 176.18 2bvv s ASN 8 N 1.60 1.18 -0.02 6.67 3.04 -1.25 -1.05 114.94 125.10 2bvv s ASN 8 Ca 0.07 -2.17 0.07 0.00 0.04 0.00 0.00 52.86 50.87 2bvv s ASN 8 Cb -0.15 0.27 -0.02 0.00 -1.54 0.00 0.00 41.25 39.81 2bvv s ASN 8 CO 0.09 -0.21 -0.22 0.86 -3.04 0.00 0.00 177.10 174.57 2bvv s TRP 9 N 0.86 2.02 -0.02 0.43 -0.00 -0.44 -5.02 118.94 116.78 2bvv s TRP 9 Ca 0.24 -0.38 -0.05 0.00 -0.00 0.00 0.00 56.10 55.90 2bvv s TRP 9 Cb -0.09 -1.30 0.00 0.00 -0.00 0.00 0.00 33.47 32.09 2bvv s TRP 9 CO -0.08 -0.04 0.12 -0.08 -0.00 0.00 0.00 176.95 176.87 2bvv s THR 10 N -0.52 0.05 -2.02 5.86 -1.32 -1.26 -0.68 115.64 115.74 2bvv s THR 10 Ca 0.08 -0.43 0.16 0.00 -1.21 0.00 0.00 61.69 60.29 2bvv s THR 10 Cb -0.09 -0.32 0.44 0.00 -1.51 0.00 0.00 72.50 71.03 2bvv s THR 10 CO -0.01 -0.24 1.59 -0.90 -2.21 0.00 0.00 174.62 172.86 2bvv n ASP 11 N 2.11 0.16 0.00 8.08 5.68 -0.55 -4.87 116.55 127.16 2bvv n ASP 11 Ca -0.19 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 2bvv n ASP 11 Cb 0.57 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 2bvv n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bvv n GLY 12 N 0.78 0.32 3.74 6.12 0.00 -1.26 -4.99 105.19 109.88 2bvv n GLY 12 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2bvv n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bvv s GLY 13 N -1.92 2.98 0.00 -0.02 0.00 -1.26 -4.93 107.32 102.17 2bvv s GLY 13 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2bvv s GLY 13 CO 0.00 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.06 2bvv n GLY 14 N 2.17 0.73 3.45 0.20 0.00 -1.18 -3.01 105.19 107.56 2bvv n GLY 14 Ca 0.01 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2bvv n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bvv s ILE 15 N 0.00 3.68 -0.31 -0.61 -1.09 -0.24 -4.93 121.20 117.71 2bvv s ILE 15 Ca 0.00 -0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2bvv s ILE 15 Cb 0.00 -2.61 0.10 0.00 -1.58 0.00 0.00 42.46 38.37 2bvv s ILE 15 CO 0.00 0.49 0.10 -0.69 -1.23 0.00 0.00 174.94 173.61 2bvv s VAL 16 N 0.47 0.76 -0.83 2.92 1.01 -1.26 -0.63 120.40 122.84 2bvv s VAL 16 Ca -0.05 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.46 2bvv s VAL 16 Cb -0.15 -1.58 0.19 0.00 0.00 0.00 0.00 36.38 34.84 2bvv s VAL 16 CO 0.03 -0.68 0.85 0.21 0.00 0.00 0.00 175.10 175.51 2bvv s ASN 17 N 1.68 6.67 -0.17 3.32 3.04 0.88 -4.97 114.94 125.39 2bvv s ASN 17 Ca 0.10 -2.41 -0.14 0.00 0.04 0.00 0.00 52.86 50.45 2bvv s ASN 17 Cb -0.17 -2.26 -0.05 0.00 -1.54 0.00 0.00 41.25 37.23 2bvv s ASN 17 CO -0.27 -0.75 0.29 0.00 -3.04 0.00 0.00 177.10 173.34 2bvv s ALA 18 N 1.03 3.59 -0.18 1.71 0.00 -1.26 -1.62 121.76 125.03 2bvv s ALA 18 Ca 0.21 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2bvv s ALA 18 Cb -0.10 -2.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2bvv s ALA 18 CO -0.08 0.04 -0.13 0.08 0.00 0.00 0.00 175.76 175.68 2bvv s VAL 19 N 0.58 2.79 -0.90 0.00 1.01 0.07 -4.99 120.40 118.96 2bvv s VAL 19 Ca 0.16 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2bvv s VAL 19 Cb -0.13 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.12 2bvv s VAL 19 CO 0.04 0.49 1.23 0.21 0.00 0.00 0.00 175.10 177.07 2bvv s ASN 20 N 1.09 6.46 1.02 3.32 3.84 -1.26 -2.12 114.94 127.29 2bvv s ASN 20 Ca 0.00 -1.50 -0.06 0.00 0.21 0.00 0.00 52.86 51.50 2bvv s ASN 20 Cb -0.14 -2.48 0.09 0.00 -0.55 0.00 0.00 41.25 38.16 2bvv s ASN 20 CO -0.04 -1.36 0.46 0.61 -2.79 0.00 0.00 177.10 173.99 2bvv n GLY 21 N 5.95 -1.55 3.78 1.21 0.00 -0.33 -5.01 105.19 109.24 2bvv n GLY 21 Ca 0.21 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 2bvv n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bvv s SER 22 N -2.71 6.02 1.51 1.61 1.04 -1.26 -4.56 113.70 115.35 2bvv s SER 22 Ca 0.27 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.77 2bvv s SER 22 Cb -0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2bvv s SER 22 CO 0.19 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2bvv n GLY 23 N 0.00 3.49 1.86 7.32 0.00 -1.26 -1.33 105.19 115.28 2bvv n GLY 23 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 2bvv n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bvv n GLY 24 N 0.00 2.95 3.85 -0.02 0.00 -1.26 -4.86 105.19 105.86 2bvv n GLY 24 Ca 0.00 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 2bvv n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bvv s ASN 25 N -0.77 6.73 0.07 1.61 3.84 -0.44 -0.32 114.94 125.66 2bvv s ASN 25 Ca 0.54 0.90 -0.19 0.00 0.21 0.00 0.00 52.86 54.32 2bvv s ASN 25 Cb 0.41 -2.22 0.04 0.00 -0.55 0.00 0.00 41.25 38.93 2bvv s ASN 25 CO 0.16 0.22 0.44 -0.72 -2.79 0.00 0.00 177.10 174.42 2bvv s TYR 26 N -1.29 -0.30 0.05 0.43 -0.85 -0.04 -1.19 117.35 114.16 2bvv s TYR 26 Ca 0.30 0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 57.04 2bvv s TYR 26 Cb -0.15 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 2bvv s TYR 26 CO 0.16 -0.64 -0.04 -1.54 -1.52 0.00 0.00 175.55 171.98 2bvv s SER 27 N -2.27 0.56 -0.07 -0.18 1.04 -0.90 -1.13 113.70 110.75 2bvv s SER 27 Ca -0.03 -0.91 -0.05 0.00 0.48 0.00 0.00 55.95 55.45 2bvv s SER 27 Cb 0.00 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.31 2bvv s SER 27 CO -0.06 -0.52 0.18 -0.69 0.98 0.00 0.00 173.24 173.14 2bvv s VAL 28 N -3.39 -0.02 -0.18 5.02 1.01 -0.03 -0.75 120.40 122.06 2bvv s VAL 28 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2bvv s VAL 28 Cb 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2bvv s VAL 28 CO -0.07 0.04 -0.18 0.20 0.00 0.00 0.00 175.10 175.08 2bvv s ASN 29 N 0.69 3.16 0.11 3.32 0.01 -0.64 -1.37 114.94 120.23 2bvv s ASN 29 Ca -0.05 -0.69 0.06 0.00 -0.71 0.00 0.00 52.86 51.47 2bvv s ASN 29 Cb -0.07 -1.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.13 2bvv s ASN 29 CO -0.04 -0.03 -0.14 -1.66 -1.51 0.00 0.00 177.10 173.73 2bvv s TRP 30 N 1.31 1.34 -0.15 2.20 -2.14 -0.60 -0.08 118.94 120.81 2bvv s TRP 30 Ca 0.04 -0.54 -0.08 0.00 2.66 0.00 0.00 56.10 58.18 2bvv s TRP 30 Cb -0.14 -0.71 0.06 0.00 -3.10 0.00 0.00 33.47 29.58 2bvv s TRP 30 CO -0.12 0.11 0.36 0.45 -2.66 0.00 0.00 176.95 175.09 2bvv s SER 31 N -2.30 -0.41 -1.28 -2.66 0.15 0.20 -1.43 113.70 105.97 2bvv s SER 31 Ca 0.06 0.78 -0.28 0.00 0.70 0.00 0.00 55.95 57.22 2bvv s SER 31 Cb -0.06 0.69 0.04 0.00 -1.71 0.00 0.00 66.02 64.98 2bvv s SER 31 CO 0.03 -0.19 0.55 0.59 1.20 0.00 0.00 173.24 175.42 2bvv n ASN 32 N 4.33 -3.13 -4.55 5.45 3.02 -0.77 -1.08 115.26 118.52 2bvv n ASN 32 Ca -0.23 -1.30 -0.25 0.00 -0.03 0.00 0.00 54.58 52.78 2bvv n ASN 32 Cb 0.54 -1.67 0.13 0.00 -0.61 0.00 0.00 39.78 38.18 2bvv n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bvv s THR 33 N -3.70 2.02 0.00 3.41 -4.23 -1.08 -3.11 115.64 108.96 2bvv s THR 33 Ca 0.40 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2bvv s THR 33 Cb -0.22 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2bvv s THR 33 CO 0.98 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 2bvv n GLY 34 N -3.01 0.78 3.68 3.99 0.00 -1.16 -2.84 105.19 106.62 2bvv n GLY 34 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2bvv n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bvv s ASN 35 N -0.56 5.29 0.04 1.61 3.04 -1.26 -1.05 114.94 122.05 2bvv s ASN 35 Ca 0.00 0.14 -0.16 0.00 0.04 0.00 0.00 52.86 52.88 2bvv s ASN 35 Cb 0.00 -1.56 0.03 0.00 -1.54 0.00 0.00 41.25 38.17 2bvv s ASN 35 CO 0.00 0.35 0.36 0.72 -3.04 0.00 0.00 177.10 175.49 2bvv s PHE 36 N -0.70 -0.18 -0.04 0.43 -0.12 -0.95 -1.48 117.98 114.94 2bvv s PHE 36 Ca 0.11 0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 57.07 2bvv s PHE 36 Cb -0.12 0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 2bvv s PHE 36 CO 0.02 -0.54 0.06 0.08 -0.05 0.00 0.00 175.22 174.80 2bvv s VAL 37 N -2.49 -0.11 -0.01 -2.49 1.01 0.14 -1.78 120.40 114.67 2bvv s VAL 37 Ca -0.05 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2bvv s VAL 37 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 2bvv s VAL 37 CO -0.03 0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.43 2bvv s VAL 38 N 1.98 0.94 0.00 2.92 1.01 -0.59 -1.32 120.40 125.34 2bvv s VAL 38 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2bvv s VAL 38 Cb -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2bvv s VAL 38 CO -0.03 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2bvv n GLY 39 N 2.75 0.16 3.33 4.51 0.00 -0.22 -0.37 105.19 115.36 2bvv n GLY 39 Ca -0.14 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 2bvv n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bvv s LYS 40 N -2.00 1.38 0.00 1.61 1.02 -1.22 -0.21 119.74 120.32 2bvv s LYS 40 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2bvv s LYS 40 Cb 0.00 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2bvv s LYS 40 CO 0.00 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 2bvv n GLY 41 N 1.25 0.87 3.20 -3.33 0.00 -0.57 -1.76 105.19 104.85 2bvv n GLY 41 Ca -0.18 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2bvv n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bvv s TRP 42 N 1.54 1.67 0.28 1.61 0.51 0.35 -0.70 118.94 124.19 2bvv s TRP 42 Ca 0.00 -0.34 -0.03 0.00 -2.12 0.00 0.00 56.10 53.61 2bvv s TRP 42 Cb 0.00 -1.03 0.37 0.00 -0.81 0.00 0.00 33.47 32.00 2bvv s TRP 42 CO 0.00 0.02 1.89 1.15 -0.51 0.00 0.00 176.95 179.51 2bvv h THR 43 N 4.54 1.23 -3.68 2.01 2.02 -1.86 -0.71 112.91 116.46 2bvv h THR 43 Ca -0.39 -0.58 -0.67 0.00 0.77 0.00 0.00 66.41 65.53 2bvv h THR 43 Cb 1.15 0.22 -0.35 0.00 -1.74 0.00 0.00 68.15 67.43 2bvv h THR 43 CO 0.46 0.26 -0.79 -0.89 0.37 0.00 0.00 175.52 174.93 2bvv s THR 44 N -5.68 2.37 0.86 3.16 2.01 -1.26 -2.45 115.64 114.65 2bvv s THR 44 Ca -0.11 -1.41 -0.11 0.00 0.31 0.00 0.00 61.69 60.36 2bvv s THR 44 Cb 0.17 -2.30 0.11 0.00 0.01 0.00 0.00 72.50 70.48 2bvv s THR 44 CO 0.81 0.08 1.09 -0.83 -0.69 0.00 0.00 174.62 175.08 2bvv s GLY 45 N 1.18 1.64 -0.08 4.40 0.00 0.10 -4.84 107.32 109.73 2bvv s GLY 45 Ca -0.05 0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.73 2bvv s GLY 45 CO -0.06 0.56 0.20 -0.45 0.00 0.00 0.00 173.10 173.36 2bvv s SER 46 N -3.31 -0.21 0.00 1.64 0.15 -1.26 -4.86 113.70 105.85 2bvv s SER 46 Ca 0.63 0.41 0.21 0.00 0.70 0.00 0.00 55.95 57.90 2bvv s SER 46 Cb -0.18 0.41 0.88 0.00 -1.71 0.00 0.00 66.02 65.42 2bvv s SER 46 CO 0.57 -0.08 1.66 -0.81 1.20 0.00 0.00 173.24 175.78 2bvv n PRO 47 N 3.04 0.00 -0.07 5.44 -0.04 -1.26 -2.94 135.00 139.18 2bvv n PRO 47 Ca -0.13 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 2bvv n PRO 47 Cb 0.58 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.67 2bvv n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bvv n PHE 48 N -1.50 0.18 -2.47 0.54 3.72 -1.26 -3.24 117.46 113.44 2bvv n PHE 48 Ca 0.05 -0.11 -0.37 0.00 -0.05 0.00 0.00 57.45 56.96 2bvv n PHE 48 Cb 0.24 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2bvv n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2bvv s ARG 49 N -1.47 4.19 -0.28 -1.08 3.52 -1.15 -4.80 118.95 117.88 2bvv s ARG 49 Ca 0.27 1.64 -0.04 0.00 -0.13 0.00 0.00 55.73 57.46 2bvv s ARG 49 Cb 0.17 -2.66 0.02 0.00 -1.56 0.00 0.00 34.95 30.92 2bvv s ARG 49 CO 0.25 -0.14 0.02 0.99 -0.81 0.00 0.00 175.30 175.60 2bvv s THR 50 N -1.52 3.42 -0.15 4.11 2.01 -1.26 -2.97 115.64 119.27 2bvv s THR 50 Ca 0.56 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 2bvv s THR 50 Cb -0.26 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2bvv s THR 50 CO 0.32 0.10 0.28 -0.63 -0.69 0.00 0.00 174.62 174.01 2bvv s ILE 51 N 1.40 5.30 0.00 1.82 1.09 -0.43 -4.93 121.20 125.46 2bvv s ILE 51 Ca 0.01 0.53 0.05 0.00 -1.10 0.00 0.00 60.65 60.14 2bvv s ILE 51 Cb -0.17 -3.62 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 2bvv s ILE 51 CO -0.01 0.42 -0.13 0.20 -0.10 0.00 0.00 174.94 175.32 2bvv s ASN 52 N 0.28 4.14 0.17 3.58 0.01 -0.35 -0.02 114.94 122.75 2bvv s ASN 52 Ca 0.16 -0.27 -0.22 0.00 -0.71 0.00 0.00 52.86 51.82 2bvv s ASN 52 Cb -0.13 -0.83 0.06 0.00 0.41 0.00 0.00 41.25 40.76 2bvv s ASN 52 CO 0.04 0.29 0.60 -0.72 -1.51 0.00 0.00 177.10 175.80 2bvv s TYR 53 N -0.90 -0.47 -0.19 2.20 1.13 -0.21 -1.35 117.35 117.56 2bvv s TYR 53 Ca 0.15 0.22 -0.04 0.00 -1.41 0.00 0.00 57.07 55.98 2bvv s TYR 53 Cb -0.11 0.56 0.08 0.00 -1.10 0.00 0.00 41.96 41.39 2bvv s TYR 53 CO 0.05 -0.89 0.16 1.21 -2.51 0.00 0.00 175.55 173.57 2bvv s ASN 54 N -2.78 1.89 -0.84 -0.18 3.04 -0.26 -0.16 114.94 115.66 2bvv s ASN 54 Ca 0.02 -0.44 -0.20 0.00 0.04 0.00 0.00 52.86 52.28 2bvv s ASN 54 Cb -0.01 0.07 0.11 0.00 -1.54 0.00 0.00 41.25 39.87 2bvv s ASN 54 CO -0.10 -0.34 1.08 0.00 -3.04 0.00 0.00 177.10 174.70 2bvv s ALA 55 N 2.23 3.25 0.45 1.71 0.00 -1.26 -1.50 121.76 126.65 2bvv s ALA 55 Ca 0.05 -2.44 0.14 0.00 0.00 0.00 0.00 51.96 49.71 2bvv s ALA 55 Cb -0.16 -4.00 1.02 0.00 0.00 0.00 0.00 23.12 19.98 2bvv s ALA 55 CO -0.11 -2.93 2.01 0.78 0.00 0.00 0.00 175.76 175.50 2bvv h GLY 56 N 10.82 0.02 -6.78 0.00 0.00 -1.36 -0.82 103.07 104.95 2bvv h GLY 56 Ca 0.01 -0.01 -0.39 0.00 0.00 0.00 0.00 47.33 46.93 2bvv h GLY 56 CO 1.15 0.01 -0.76 0.14 0.00 0.00 0.00 176.54 177.08 2bvv s VAL 57 N -4.71 0.25 -0.34 4.60 1.01 -0.93 -4.77 120.40 115.52 2bvv s VAL 57 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2bvv s VAL 57 Cb 0.16 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 36.27 2bvv s VAL 57 CO 0.70 0.21 0.18 0.86 0.00 0.00 0.00 175.10 177.04 2bvv s TRP 58 N 1.58 0.77 -0.47 5.22 -0.00 -1.26 -0.62 118.94 124.16 2bvv s TRP 58 Ca -0.02 -1.47 0.08 0.00 -0.00 0.00 0.00 56.10 54.69 2bvv s TRP 58 Cb -0.13 -1.05 0.25 0.00 -0.00 0.00 0.00 33.47 32.55 2bvv s TRP 58 CO -0.03 -0.83 0.60 0.00 -0.00 0.00 0.00 176.95 176.69 2bvv n ALA 59 N 4.44 2.93 -1.80 5.86 0.00 0.04 -5.03 120.51 126.95 2bvv n ALA 59 Ca 0.05 -3.82 -0.39 0.00 0.00 0.00 0.00 53.44 49.28 2bvv n ALA 59 Cb 0.39 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 2bvv n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bvv s PRO 60 N -1.64 4.72 -0.73 0.00 0.04 -1.26 -1.80 135.00 134.33 2bvv s PRO 60 Ca 0.37 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.80 2bvv s PRO 60 Cb 0.17 -3.10 0.36 0.00 0.04 0.00 0.00 34.50 31.97 2bvv s PRO 60 CO -0.08 0.44 1.54 0.09 0.04 0.00 0.00 177.00 179.03 2bvv n ASN 61 N 1.16 6.19 0.00 6.66 5.03 0.18 -4.88 115.26 129.60 2bvv n ASN 61 Ca -0.01 -3.75 0.00 0.00 0.87 0.00 0.00 54.58 51.69 2bvv n ASN 61 Cb 0.48 -0.84 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 2bvv n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bvv n GLY 62 N -0.37 0.24 3.63 7.41 0.00 -1.26 -3.80 105.19 111.04 2bvv n GLY 62 Ca 0.44 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 2bvv n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bvv s ASN 63 N -4.00 6.70 -0.13 1.61 3.04 -1.26 -1.78 114.94 119.12 2bvv s ASN 63 Ca 0.00 1.10 -0.29 0.00 0.04 0.00 0.00 52.86 53.72 2bvv s ASN 63 Cb 0.00 -2.54 0.07 0.00 -1.54 0.00 0.00 41.25 37.24 2bvv s ASN 63 CO 0.00 -1.07 0.69 -0.83 -3.04 0.00 0.00 177.10 172.84 2bvv s GLY 64 N 2.60 -0.56 -0.02 1.21 0.00 -1.26 -2.23 107.32 107.06 2bvv s GLY 64 Ca 0.54 1.55 0.06 0.00 0.00 0.00 0.00 44.72 46.87 2bvv s GLY 64 CO 0.23 1.22 -0.21 -0.19 0.00 0.00 0.00 173.10 174.15 2bvv s TYR 65 N -0.64 1.93 -0.45 1.90 2.02 0.11 -0.92 117.35 121.31 2bvv s TYR 65 Ca -0.07 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2bvv s TYR 65 Cb -0.02 -1.25 0.08 0.00 -0.40 0.00 0.00 41.96 40.37 2bvv s TYR 65 CO 0.07 -0.07 0.34 -1.17 -1.57 0.00 0.00 175.55 173.15 2bvv s LEU 66 N -0.40 5.45 -0.02 -1.29 2.96 -0.33 -1.51 118.68 123.55 2bvv s LEU 66 Ca 0.05 -1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 52.31 2bvv s LEU 66 Cb -0.09 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.54 2bvv s LEU 66 CO 0.00 -0.61 0.50 0.28 -1.32 0.00 0.00 176.35 175.20 2bvv s THR 67 N 1.55 0.03 0.25 3.68 -1.32 -0.34 -1.81 115.64 117.68 2bvv s THR 67 Ca 0.04 -0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 2bvv s THR 67 Cb -0.24 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 69.82 2bvv s THR 67 CO 0.05 -0.13 1.25 -0.22 -2.21 0.00 0.00 174.62 173.35 2bvv s LEU 68 N -1.39 4.45 -0.00 9.08 2.96 -0.15 -0.40 118.68 133.22 2bvv s LEU 68 Ca -0.11 2.43 -0.00 0.00 -0.22 0.00 0.00 54.13 56.23 2bvv s LEU 68 Cb -0.02 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.05 2bvv s LEU 68 CO 0.06 -0.43 0.01 0.12 -1.32 0.00 0.00 176.35 174.79 2bvv s PHE 69 N -0.52 0.01 0.21 5.38 5.36 0.14 -1.86 117.98 126.69 2bvv s PHE 69 Ca 0.51 0.03 -0.22 0.00 -0.96 0.00 0.00 56.93 56.29 2bvv s PHE 69 Cb -0.36 -0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.33 2bvv s PHE 69 CO 0.43 -0.02 0.94 0.20 -1.46 0.00 0.00 175.22 175.30 2bvv s GLY 70 N 0.25 -0.02 0.07 13.12 0.00 -0.99 -0.40 107.32 119.36 2bvv s GLY 70 Ca -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.52 2bvv s GLY 70 CO -0.01 0.71 -0.07 -0.98 0.00 0.00 0.00 173.10 172.76 2bvv s TRP 71 N -2.84 0.76 0.06 1.90 0.52 -1.08 -1.36 118.94 116.91 2bvv s TRP 71 Ca 0.16 -0.74 0.02 0.00 0.02 0.00 0.00 56.10 55.56 2bvv s TRP 71 Cb -0.03 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.81 2bvv s TRP 71 CO 0.05 -0.14 -0.08 0.95 0.02 0.00 0.00 176.95 177.75 2bvv s THR 72 N -2.65 0.64 0.28 2.01 -4.23 -0.56 -1.44 115.64 109.69 2bvv s THR 72 Ca 0.02 -1.36 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 2bvv s THR 72 Cb -0.01 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 2bvv s THR 72 CO -0.03 -0.52 -0.02 -0.13 -0.54 0.00 0.00 174.62 173.38 2bvv s ARG 73 N -2.27 2.19 -0.90 3.99 0.52 0.19 -1.53 118.95 121.13 2bvv s ARG 73 Ca -0.03 -1.51 -0.06 0.00 -0.52 0.00 0.00 55.73 53.61 2bvv s ARG 73 Cb -0.05 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 2bvv s ARG 73 CO -0.01 0.32 0.74 0.43 0.02 0.00 0.00 175.30 176.80 2bvv n SER 74 N -0.88 -6.50 -4.94 0.23 7.64 -1.26 -2.18 113.62 105.74 2bvv n SER 74 Ca -0.06 -0.57 -0.23 0.00 1.01 0.00 0.00 58.87 59.03 2bvv n SER 74 Cb 0.60 -4.19 0.05 0.00 -1.01 0.00 0.00 64.21 59.66 2bvv n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2bvv s PRO 75 N -4.30 2.37 -0.37 1.43 0.04 -1.26 -1.86 135.00 131.05 2bvv s PRO 75 Ca 0.19 -0.64 -0.29 0.00 0.04 0.00 0.00 61.00 60.31 2bvv s PRO 75 Cb -0.05 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2bvv s PRO 75 CO 0.80 -0.93 1.47 -1.17 0.04 0.00 0.00 177.00 177.21 2bvv s LEU 76 N -4.94 3.64 -0.02 -3.56 2.96 -1.26 -4.17 118.68 111.34 2bvv s LEU 76 Ca 0.59 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 2bvv s LEU 76 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2bvv s LEU 76 CO 0.41 -1.40 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.39 2bvv s ILE 77 N 5.45 0.21 -0.20 6.68 1.01 -0.58 -3.99 121.20 129.77 2bvv s ILE 77 Ca 0.64 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 61.19 2bvv s ILE 77 Cb -0.16 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 2bvv s ILE 77 CO 0.31 0.11 0.07 -0.70 0.00 0.00 0.00 174.94 174.72 2bvv s GLU 78 N 0.47 3.86 0.23 2.79 2.12 -0.91 -1.50 118.70 125.77 2bvv s GLU 78 Ca -0.05 -0.39 0.11 0.00 0.36 0.00 0.00 54.97 55.00 2bvv s GLU 78 Cb -0.07 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2bvv s GLU 78 CO -0.01 0.12 -0.19 1.52 -0.54 0.00 0.00 175.26 176.15 2bvv s TYR 79 N 0.80 2.10 -0.02 5.30 -0.85 -0.46 -1.25 117.35 122.98 2bvv s TYR 79 Ca 0.03 -0.41 -0.05 0.00 -0.52 0.00 0.00 57.07 56.13 2bvv s TYR 79 Cb -0.14 -0.96 0.00 0.00 0.38 0.00 0.00 41.96 41.24 2bvv s TYR 79 CO 0.02 0.55 0.11 0.71 -1.52 0.00 0.00 175.55 175.42 2bvv s TYR 80 N -2.39 -0.01 -0.40 -3.49 1.51 -0.02 -2.34 117.35 110.21 2bvv s TYR 80 Ca 0.25 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.34 2bvv s TYR 80 Cb -0.05 -0.03 0.13 0.00 -0.11 0.00 0.00 41.96 41.90 2bvv s TYR 80 CO 0.11 -0.17 0.19 0.08 -1.11 0.00 0.00 175.55 174.66 2bvv s VAL 81 N -0.72 1.33 -0.28 0.71 1.01 -0.78 -1.27 120.40 120.41 2bvv s VAL 81 Ca -0.08 -2.28 -0.24 0.00 0.00 0.00 0.00 61.98 59.38 2bvv s VAL 81 Cb -0.05 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2bvv s VAL 81 CO 0.01 -0.83 0.81 -0.69 0.00 0.00 0.00 175.10 174.40 2bvv s VAL 82 N 0.68 4.80 -0.17 2.92 1.01 0.68 -0.98 120.40 129.34 2bvv s VAL 82 Ca 0.15 1.35 0.14 0.00 0.00 0.00 0.00 61.98 63.63 2bvv s VAL 82 Cb -0.23 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 2bvv s VAL 82 CO -0.06 -0.18 0.17 0.47 0.00 0.00 0.00 175.10 175.51 2bvv n ASP 83 N 6.14 0.48 -3.89 3.32 8.00 -0.75 -1.35 116.55 128.50 2bvv n ASP 83 Ca 0.05 0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 2bvv n ASP 83 Cb 0.48 0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 42.07 2bvv n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bvv s SER 84 N -5.78 -0.04 0.31 -2.24 0.15 -1.14 -0.74 113.70 104.21 2bvv s SER 84 Ca -0.12 -0.74 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 2bvv s SER 84 Cb 0.07 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 2bvv s SER 84 CO 0.80 -0.93 0.49 -2.67 1.20 0.00 0.00 173.24 172.14 2bvv n TRP 85 N -0.24 -1.58 0.00 3.44 2.14 -1.26 -1.18 117.44 118.76 2bvv n TRP 85 Ca -0.09 -1.83 0.00 0.00 2.07 0.00 0.00 57.50 57.66 2bvv n TRP 85 Cb 0.63 0.57 0.00 0.00 -0.81 0.00 0.00 31.31 31.69 2bvv n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2bvv n GLY 86 N -0.47 0.33 0.03 -1.67 0.00 -0.10 -4.92 105.19 98.39 2bvv n GLY 86 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2bvv n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bvv n THR 87 N 0.00 0.14 -4.05 2.61 -2.24 -0.74 -4.82 114.28 105.19 2bvv n THR 87 Ca 0.00 -0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 2bvv n THR 87 Cb 0.00 0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.10 2bvv n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2bvv s TYR 88 N -3.07 1.62 -0.28 4.78 5.04 -1.26 -5.00 117.35 119.18 2bvv s TYR 88 Ca 0.09 -0.80 -0.22 0.00 -2.44 0.00 0.00 57.07 53.70 2bvv s TYR 88 Cb 0.16 -1.28 -0.01 0.00 0.35 0.00 0.00 41.96 41.18 2bvv s TYR 88 CO 0.70 -0.50 0.73 0.50 -1.34 0.00 0.00 175.55 175.63 2bvv s ARG 89 N 1.48 4.05 0.24 4.97 3.52 -1.26 -4.82 118.95 127.13 2bvv s ARG 89 Ca 0.02 0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 2bvv s ARG 89 Cb -0.13 -3.69 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 2bvv s ARG 89 CO -0.07 -0.55 1.38 -1.25 -0.81 0.00 0.00 175.30 174.01 2bvv s PRO 90 N 2.76 4.32 0.25 5.12 0.04 -1.26 -5.02 135.00 141.21 2bvv s PRO 90 Ca 0.30 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.53 2bvv s PRO 90 Cb -0.15 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2bvv s PRO 90 CO 0.10 -0.34 0.26 0.95 0.04 0.00 0.00 177.00 178.01 2bvv s THR 91 N -0.08 0.00 0.00 1.26 -4.23 -1.26 -4.92 115.64 106.41 2bvv s THR 91 Ca 0.57 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2bvv s THR 91 Cb -0.40 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2bvv s THR 91 CO 0.42 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2bvv n GLY 92 N -0.39 2.75 3.62 3.99 0.00 -1.26 -4.99 105.19 108.91 2bvv n GLY 92 Ca 0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2bvv n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bvv s THR 93 N 0.32 4.32 0.19 2.61 2.01 -0.65 -4.85 115.64 119.58 2bvv s THR 93 Ca 0.00 1.45 -0.31 0.00 0.31 0.00 0.00 61.69 63.14 2bvv s THR 93 Cb 0.00 -4.46 -0.10 0.00 0.01 0.00 0.00 72.50 67.96 2bvv s THR 93 CO 0.00 -0.71 1.47 -0.47 -0.69 0.00 0.00 174.62 174.22 2bvv s TYR 94 N 4.14 3.08 -0.06 4.92 5.04 -1.26 -2.22 117.35 130.99 2bvv s TYR 94 Ca 0.48 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.99 2bvv s TYR 94 Cb -0.11 -3.83 -0.04 0.00 0.35 0.00 0.00 41.96 38.34 2bvv s TYR 94 CO 0.24 -2.86 -0.05 1.63 -1.34 0.00 0.00 175.55 173.16 2bvv n LYS 95 N 3.22 0.37 -3.10 4.97 4.76 0.14 -4.99 118.16 123.54 2bvv n LYS 95 Ca 0.10 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2bvv n LYS 95 Cb 0.40 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 2bvv n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bvv n GLY 96 N 3.17 -0.53 3.23 0.72 0.00 -1.24 -4.99 105.19 105.56 2bvv n GLY 96 Ca -0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2bvv n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bvv s THR 97 N -3.16 0.70 -0.07 2.61 -4.23 -1.26 0.28 115.64 110.51 2bvv s THR 97 Ca 0.00 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 2bvv s THR 97 Cb 0.00 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.83 2bvv s THR 97 CO 0.00 -0.55 0.18 0.54 -0.54 0.00 0.00 174.62 174.25 2bvv s VAL 98 N -3.64 -0.02 -0.22 2.29 0.11 -0.06 -4.92 120.40 113.94 2bvv s VAL 98 Ca 0.22 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.22 2bvv s VAL 98 Cb 0.06 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2bvv s VAL 98 CO 0.02 0.04 0.29 -0.54 -3.33 0.00 0.00 175.10 171.58 2bvv s LYS 99 N 0.70 4.13 -0.22 1.54 3.01 -1.26 -0.48 119.74 127.16 2bvv s LYS 99 Ca -0.05 -0.01 -0.21 0.00 -1.01 0.00 0.00 55.97 54.69 2bvv s LYS 99 Cb -0.07 -3.54 0.06 0.00 -1.01 0.00 0.00 37.83 33.27 2bvv s LYS 99 CO -0.04 0.00 0.59 0.45 0.51 0.00 0.00 175.35 176.87 2bvv s SER 100 N 1.05 -0.61 -1.46 2.83 0.15 -0.06 -4.96 113.70 110.64 2bvv s SER 100 Ca 0.14 1.17 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 2bvv s SER 100 Cb -0.14 1.18 0.04 0.00 -1.71 0.00 0.00 66.02 65.39 2bvv s SER 100 CO 0.06 -0.22 0.57 0.47 1.20 0.00 0.00 173.24 175.33 2bvv n ASP 101 N 2.69 -1.39 0.00 5.45 8.00 -1.26 -1.35 116.55 128.69 2bvv n ASP 101 Ca -0.14 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2bvv n ASP 101 Cb 0.56 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 2bvv n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bvv n GLY 102 N -1.80 1.19 3.43 0.44 0.00 -1.26 -4.95 105.19 102.24 2bvv n GLY 102 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2bvv n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bvv s GLY 103 N -2.00 1.88 -0.15 -0.02 0.00 -0.46 -5.13 107.32 101.43 2bvv s GLY 103 Ca 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 44.72 42.77 2bvv s GLY 103 CO 0.00 -1.84 -0.09 -1.59 0.00 0.00 0.00 173.10 169.58 2bvv s THR 104 N -3.07 3.32 0.00 0.90 2.01 -1.26 -0.88 115.64 116.67 2bvv s THR 104 Ca 0.31 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.82 2bvv s THR 104 Cb 0.05 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2bvv s THR 104 CO 0.12 0.50 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.04 2bvv s TYR 105 N 0.58 2.51 0.13 4.92 1.51 0.37 -1.03 117.35 126.34 2bvv s TYR 105 Ca -0.06 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 2bvv s TYR 105 Cb -0.15 -1.51 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 2bvv s TYR 105 CO 0.03 0.15 0.63 -0.51 -1.11 0.00 0.00 175.55 174.74 2bvv s ASP 106 N -1.02 7.08 -0.20 2.29 1.01 0.15 -0.88 116.67 125.10 2bvv s ASP 106 Ca 0.12 1.33 -0.08 0.00 0.71 0.00 0.00 52.55 54.63 2bvv s ASP 106 Cb -0.10 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2bvv s ASP 106 CO 0.02 0.20 0.08 -0.63 0.21 0.00 0.00 175.17 175.05 2bvv s ILE 107 N -1.24 4.86 0.09 0.77 1.01 0.14 -1.04 121.20 125.80 2bvv s ILE 107 Ca 0.34 -0.00 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2bvv s ILE 107 Cb -0.19 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2bvv s ILE 107 CO 0.21 0.43 -0.08 -0.31 0.00 0.00 0.00 174.94 175.19 2bvv s TYR 108 N 0.59 0.91 0.02 3.97 2.02 -0.35 -0.68 117.35 123.83 2bvv s TYR 108 Ca 0.04 -0.80 0.05 0.00 -0.37 0.00 0.00 57.07 55.99 2bvv s TYR 108 Cb -0.13 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.90 2bvv s TYR 108 CO 0.01 -0.10 -0.16 0.95 -1.57 0.00 0.00 175.55 174.69 2bvv s THR 109 N -3.08 1.24 0.22 -0.71 -4.23 -0.94 -0.57 115.64 107.57 2bvv s THR 109 Ca 0.08 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2bvv s THR 109 Cb 0.02 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 2bvv s THR 109 CO -0.03 0.17 0.21 0.42 -0.54 0.00 0.00 174.62 174.85 2bvv s THR 110 N -0.65 0.00 -0.01 3.99 -4.23 -0.80 -1.64 115.64 112.30 2bvv s THR 110 Ca 0.04 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2bvv s THR 110 Cb -0.07 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 2bvv s THR 110 CO 0.01 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.10 2bvv s THR 111 N -4.08 0.77 -0.13 3.99 2.01 -1.26 -0.72 115.64 116.22 2bvv s THR 111 Ca 0.36 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 2bvv s THR 111 Cb 0.05 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2bvv s THR 111 CO 0.12 0.22 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.11 2bvv s ARG 112 N -0.20 3.42 -0.15 4.92 1.81 0.27 -4.98 118.95 124.05 2bvv s ARG 112 Ca 0.03 -0.49 -0.01 0.00 -1.72 0.00 0.00 55.73 53.54 2bvv s ARG 112 Cb -0.04 -2.86 -0.02 0.00 -0.45 0.00 0.00 34.95 31.59 2bvv s ARG 112 CO -0.00 0.39 -0.10 0.71 -0.68 0.00 0.00 175.30 175.62 2bvv s TYR 113 N -0.05 2.87 -1.35 -0.53 1.51 -1.26 -1.28 117.35 117.25 2bvv s TYR 113 Ca 0.02 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.40 2bvv s TYR 113 Cb -0.13 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2bvv s TYR 113 CO 0.02 -0.24 0.52 -1.71 -1.11 0.00 0.00 175.55 173.04 2bvv n ASN 114 N 3.71 -1.16 -4.54 2.29 5.15 -0.85 -4.93 115.26 114.93 2bvv n ASN 114 Ca -0.18 -0.98 -0.25 0.00 -0.60 0.00 0.00 54.58 52.57 2bvv n ASN 114 Cb 0.52 -3.27 -0.09 0.00 -0.53 0.00 0.00 39.78 36.41 2bvv n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bvv s ALA 115 N -3.84 2.88 0.30 5.20 0.00 -0.11 -4.67 121.76 121.52 2bvv s ALA 115 Ca 0.07 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 2bvv s ALA 115 Cb -0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 2bvv s ALA 115 CO 0.87 0.38 1.45 -2.14 0.00 0.00 0.00 175.76 176.31 2bvv s PRO 116 N -3.13 4.23 0.53 0.00 0.02 -1.26 -1.26 135.00 134.13 2bvv s PRO 116 Ca 0.27 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.69 2bvv s PRO 116 Cb -0.07 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.39 2bvv s PRO 116 CO 0.15 -0.43 0.13 -1.54 -0.33 0.00 0.00 177.00 174.98 2bvv s SER 117 N 0.12 4.29 0.44 2.53 1.04 -1.15 -4.91 113.70 116.06 2bvv s SER 117 Ca 0.57 -1.54 0.11 0.00 0.48 0.00 0.00 55.95 55.57 2bvv s SER 117 Cb -0.43 0.53 1.01 0.00 0.10 0.00 0.00 66.02 67.22 2bvv s SER 117 CO 0.49 -0.95 2.05 -0.29 0.98 0.00 0.00 173.24 175.53 2bvv h ILE 118 N 1.15 1.01 -0.02 -1.02 2.10 -1.95 -1.00 117.51 117.78 2bvv h ILE 118 Ca -0.42 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.39 2bvv h ILE 118 Cb 1.31 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2bvv h ILE 118 CO 0.69 0.07 0.00 0.47 -1.08 0.00 0.00 178.15 178.30 2bvv n ASP 119 N -4.48 0.24 0.00 2.19 8.00 -1.26 -5.02 116.55 116.22 2bvv n ASP 119 Ca 0.04 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.14 2bvv n ASP 119 Cb 0.18 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2bvv n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bvv n GLY 120 N 0.87 -2.64 7.00 0.44 0.00 -0.38 -5.04 105.19 105.44 2bvv n GLY 120 Ca 0.16 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2bvv n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bvv n ASP 121 N -0.49 -4.09 -4.34 1.61 8.00 -1.26 -4.13 116.55 111.84 2bvv n ASP 121 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 2bvv n ASP 121 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2bvv n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2bvv s ARG 122 N 0.00 1.26 0.32 -1.24 0.52 -1.26 -2.96 118.95 115.60 2bvv s ARG 122 Ca 0.00 -1.28 -0.17 0.00 -0.52 0.00 0.00 55.73 53.76 2bvv s ARG 122 Cb 0.00 -1.59 0.07 0.00 0.52 0.00 0.00 34.95 33.95 2bvv s ARG 122 CO 0.00 0.36 0.88 -0.08 0.02 0.00 0.00 175.30 176.49 2bvv s THR 123 N -1.27 0.00 -0.19 0.02 -1.32 -0.39 -4.83 115.64 107.67 2bvv s THR 123 Ca 0.11 -0.85 -0.06 0.00 -1.21 0.00 0.00 61.69 59.68 2bvv s THR 123 Cb -0.09 -2.98 -0.03 0.00 -1.51 0.00 0.00 72.50 67.89 2bvv s THR 123 CO 0.06 0.00 0.02 -0.89 -2.21 0.00 0.00 174.62 171.59 2bvv s THR 124 N -2.11 4.19 0.09 5.08 2.01 -1.26 -0.93 115.64 122.71 2bvv s THR 124 Ca 0.18 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2bvv s THR 124 Cb -0.04 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 2bvv s THR 124 CO 0.10 0.44 0.18 0.72 -0.69 0.00 0.00 174.62 175.37 2bvv s PHE 125 N 0.77 0.17 0.23 4.92 -0.12 -0.40 -4.98 117.98 118.56 2bvv s PHE 125 Ca 0.01 -0.60 -0.09 0.00 -0.05 0.00 0.00 56.93 56.21 2bvv s PHE 125 Cb -0.14 -0.07 -0.07 0.00 -0.63 0.00 0.00 43.02 42.11 2bvv s PHE 125 CO 0.02 -0.53 0.54 0.99 -0.05 0.00 0.00 175.22 176.19 2bvv s THR 126 N -3.83 4.95 -0.06 -4.49 2.01 -1.26 -0.56 115.64 112.41 2bvv s THR 126 Ca 0.05 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2bvv s THR 126 Cb 0.05 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2bvv s THR 126 CO -0.11 -0.10 -0.18 -1.10 -0.69 0.00 0.00 174.62 172.44 2bvv s GLN 127 N -2.90 2.11 -0.15 4.92 -0.21 0.10 -2.13 119.66 121.41 2bvv s GLN 127 Ca 0.47 -0.65 -0.06 0.00 0.02 0.00 0.00 55.36 55.14 2bvv s GLN 127 Cb -0.11 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 2bvv s GLN 127 CO 0.22 0.20 0.05 0.71 -2.12 0.00 0.00 175.29 174.35 2bvv s TYR 128 N 0.22 3.26 0.02 0.91 2.02 -0.38 -1.90 117.35 121.50 2bvv s TYR 128 Ca -0.09 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 2bvv s TYR 128 Cb -0.14 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 2bvv s TYR 128 CO 0.04 0.30 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.64 2bvv s TRP 129 N -0.15 0.87 -0.24 2.71 0.52 0.27 -0.84 118.94 122.07 2bvv s TRP 129 Ca 0.07 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 55.94 2bvv s TRP 129 Cb -0.12 -0.53 0.06 0.00 -1.15 0.00 0.00 33.47 31.72 2bvv s TRP 129 CO 0.01 -0.01 -0.07 -1.12 0.02 0.00 0.00 176.95 175.78 2bvv s SER 130 N -0.70 4.03 -0.18 2.95 0.01 -0.39 -1.22 113.70 118.19 2bvv s SER 130 Ca 0.00 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 56.04 2bvv s SER 130 Cb -0.06 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.88 2bvv s SER 130 CO 0.00 -0.22 -0.19 -0.69 0.41 0.00 0.00 173.24 172.56 2bvv s VAL 131 N 1.30 2.20 0.37 3.43 1.01 -0.20 -0.23 120.40 128.28 2bvv s VAL 131 Ca -0.07 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2bvv s VAL 131 Cb -0.19 -1.93 -0.11 0.00 0.00 0.00 0.00 36.38 34.15 2bvv s VAL 131 CO -0.06 0.53 1.23 -1.14 0.00 0.00 0.00 175.10 175.66 2bvv n ARG 132 N 4.55 1.91 0.08 2.72 0.63 -0.46 -0.68 116.66 125.41 2bvv n ARG 132 Ca -0.21 0.68 -0.01 0.00 -0.92 0.00 0.00 57.85 57.39 2bvv n ARG 132 Cb 0.50 -2.27 0.26 0.00 0.45 0.00 0.00 32.46 31.40 2bvv n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2bvv h GLN 133 N 2.24 0.31 -4.80 -0.14 4.20 -1.44 -3.44 115.11 112.05 2bvv h GLN 133 Ca -0.46 -0.12 -0.32 0.00 0.06 0.00 0.00 58.65 57.81 2bvv h GLN 133 Cb 1.30 -0.02 -0.22 0.00 0.30 0.00 0.00 27.48 28.84 2bvv h GLN 133 CO 0.61 0.58 -0.75 -1.54 -0.67 0.00 0.00 178.83 177.06 2bvv s SER 134 N -6.85 1.10 0.25 1.46 1.04 -1.26 -5.10 113.70 104.33 2bvv s SER 134 Ca -0.05 -0.54 -0.31 0.00 0.48 0.00 0.00 55.95 55.52 2bvv s SER 134 Cb 0.14 0.00 -0.13 0.00 0.10 0.00 0.00 66.02 66.14 2bvv s SER 134 CO 0.77 -0.15 1.55 0.29 0.98 0.00 0.00 173.24 176.68 2bvv n LYS 135 N 1.50 2.43 -2.66 4.02 5.02 -1.26 -4.95 118.16 122.26 2bvv n LYS 135 Ca -0.22 0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 56.52 2bvv n LYS 135 Cb 0.55 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.90 2bvv n LYS 135 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2bvv s ARG 136 N -0.04 4.57 0.54 1.97 3.52 0.08 -5.00 118.95 124.60 2bvv s ARG 136 Ca 0.69 1.49 -0.21 0.00 -0.13 0.00 0.00 55.73 57.57 2bvv s ARG 136 Cb -0.57 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.35 2bvv s ARG 136 CO 0.45 -0.03 1.27 -2.30 -0.81 0.00 0.00 175.30 173.88 2bvv n PRO 137 N 3.64 1.54 -3.81 5.12 -0.02 -1.26 -4.79 135.00 135.42 2bvv n PRO 137 Ca 0.06 0.57 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 2bvv n PRO 137 Cb 0.50 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2bvv n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bvv s THR 138 N -1.32 2.36 0.00 3.45 -4.23 -1.26 -4.66 115.64 109.99 2bvv s THR 138 Ca 0.72 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2bvv s THR 138 Cb -0.43 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2bvv s THR 138 CO 0.49 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 2bvv n GLY 139 N -1.49 0.67 3.62 3.99 0.00 -0.31 -4.99 105.19 106.68 2bvv n GLY 139 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2bvv n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bvv s SER 140 N -2.71 4.14 -0.33 1.61 0.01 -1.26 -4.90 113.70 110.26 2bvv s SER 140 Ca 0.00 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 55.99 2bvv s SER 140 Cb 0.00 -0.53 -0.00 0.00 0.21 0.00 0.00 66.02 65.70 2bvv s SER 140 CO 0.00 -0.20 1.49 0.20 0.41 0.00 0.00 173.24 175.14 2bvv s ASN 141 N -3.70 6.36 0.15 2.44 0.01 -1.26 -4.37 114.94 114.58 2bvv s ASN 141 Ca 0.34 1.17 0.07 0.00 -0.71 0.00 0.00 52.86 53.74 2bvv s ASN 141 Cb -0.01 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2bvv s ASN 141 CO 0.19 -1.35 -0.04 0.00 -1.51 0.00 0.00 177.10 174.39 2bvv s ALA 142 N 5.34 3.12 0.00 0.60 0.00 0.78 -4.97 121.76 126.63 2bvv s ALA 142 Ca 0.65 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2bvv s ALA 142 Cb -0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 2bvv s ALA 142 CO 0.30 0.54 -0.16 0.99 0.00 0.00 0.00 175.76 177.44 2bvv s THR 143 N -1.56 1.23 -0.30 0.00 2.01 -1.26 -1.05 115.64 114.72 2bvv s THR 143 Ca 0.25 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2bvv s THR 143 Cb -0.10 -1.04 0.08 0.00 0.01 0.00 0.00 72.50 71.45 2bvv s THR 143 CO 0.17 0.28 0.01 -0.63 -0.69 0.00 0.00 174.62 173.76 2bvv s ILE 144 N -0.47 1.91 -1.06 1.82 1.01 0.97 -4.79 121.20 120.58 2bvv s ILE 144 Ca 0.05 -1.85 -0.21 0.00 0.00 0.00 0.00 60.65 58.64 2bvv s ILE 144 Cb -0.06 -2.29 0.08 0.00 0.01 0.00 0.00 42.46 40.20 2bvv s ILE 144 CO -0.00 -0.40 1.43 -0.89 0.00 0.00 0.00 174.94 175.07 2bvv s THR 145 N 1.14 4.20 0.41 2.92 2.01 -1.26 -1.31 115.64 123.74 2bvv s THR 145 Ca 0.04 -1.25 0.13 0.00 0.31 0.00 0.00 61.69 60.92 2bvv s THR 145 Cb -0.19 -5.01 0.34 0.00 0.01 0.00 0.00 72.50 67.65 2bvv s THR 145 CO -0.10 -1.84 1.91 0.15 -0.69 0.00 0.00 174.62 174.05 2bvv h PHE 146 N 9.05 0.58 -0.76 4.92 3.57 -1.85 -2.03 116.94 130.42 2bvv h PHE 146 Ca 0.24 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.85 2bvv h PHE 146 Cb 0.98 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2bvv h PHE 146 CO 1.27 0.23 0.50 1.79 -2.23 0.00 0.00 178.31 179.86 2bvv h THR 147 N 0.50 0.93 -0.87 4.41 1.35 -1.73 -0.82 112.91 116.69 2bvv h THR 147 Ca 0.38 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.99 2bvv h THR 147 Cb 0.77 0.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.36 2bvv h THR 147 CO -0.14 0.12 0.44 0.78 -0.25 0.00 0.00 175.52 176.47 2bvv h ASN 148 N 0.66 1.11 -0.11 5.36 -0.26 -1.69 -0.45 115.58 120.19 2bvv h ASN 148 Ca 0.35 -0.12 -0.08 0.00 -0.56 0.00 0.00 56.30 55.89 2bvv h ASN 148 Cb 0.48 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2bvv h ASN 148 CO -0.13 0.92 -0.24 0.45 -1.06 0.00 0.00 177.43 177.37 2bvv h HIS 149 N 1.22 0.46 -0.69 1.19 3.86 -1.31 -1.65 115.15 118.24 2bvv h HIS 149 Ca 0.30 -0.17 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 2bvv h HIS 149 Cb 0.08 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 2bvv h HIS 149 CO 0.01 0.85 0.40 0.28 0.86 0.00 0.00 177.93 180.34 2bvv h VAL 150 N -0.07 1.01 -0.36 2.45 2.07 -1.04 0.98 116.25 121.29 2bvv h VAL 150 Ca 0.00 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2bvv h VAL 150 Cb 0.83 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2bvv h VAL 150 CO 0.05 0.14 -0.11 0.78 0.02 0.00 0.00 177.57 178.45 2bvv h ASN 151 N 0.75 0.71 -0.63 0.57 2.35 -1.09 -1.47 115.58 116.77 2bvv h ASN 151 Ca 0.30 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2bvv h ASN 151 Cb 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2bvv h ASN 151 CO -0.16 0.92 0.34 0.00 -1.65 0.00 0.00 177.43 176.88 2bvv h ALA 152 N 0.81 0.80 -0.75 -0.83 0.00 -0.84 -2.30 119.26 116.15 2bvv h ALA 152 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2bvv h ALA 152 Cb 0.62 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2bvv h ALA 152 CO 0.04 0.32 0.41 -1.49 0.00 0.00 0.00 179.25 178.52 2bvv h TRP 153 N 0.85 1.03 -0.87 0.00 6.55 -0.70 -2.49 115.95 120.32 2bvv h TRP 153 Ca 0.22 -0.03 0.04 0.00 0.95 0.00 0.00 58.89 60.08 2bvv h TRP 153 Cb 0.04 -0.33 -0.05 0.00 -0.86 0.00 0.00 29.16 27.96 2bvv h TRP 153 CO -0.01 0.72 0.56 0.87 -1.05 0.00 0.00 178.44 179.53 2bvv h LYS 154 N 1.03 1.03 0.00 0.49 1.57 -0.87 0.82 116.57 120.64 2bvv h LYS 154 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2bvv h LYS 154 Cb 0.04 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.11 2bvv h LYS 154 CO -0.04 0.68 0.00 0.66 -0.57 0.00 0.00 179.45 180.18 2bvv h SER 155 N 1.06 0.00 -0.40 0.86 4.64 -0.95 -0.60 113.55 118.16 2bvv h SER 155 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2bvv h SER 155 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2bvv h SER 155 CO -0.13 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.24 2bvv n HIS 156 N -2.59 1.00 -1.05 4.77 8.25 -0.29 -4.93 115.22 120.38 2bvv n HIS 156 Ca -0.01 -0.69 -0.02 0.00 -0.26 0.00 0.00 57.72 56.74 2bvv n HIS 156 Cb 0.09 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 2bvv n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bvv n GLY 157 N 0.26 0.53 3.34 -1.41 0.00 -0.23 -4.98 105.19 102.70 2bvv n GLY 157 Ca 0.20 -0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.21 2bvv n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bvv s MET 158 N -1.41 3.84 -0.12 1.61 -1.94 0.13 -4.99 119.30 116.42 2bvv s MET 158 Ca 0.00 -2.72 -0.12 0.00 -1.71 0.00 0.00 55.69 51.15 2bvv s MET 158 Cb 0.00 -4.52 -0.05 0.00 2.01 0.00 0.00 34.83 32.27 2bvv s MET 158 CO 0.00 -1.31 0.25 -0.80 -0.01 0.00 0.00 175.02 173.15 2bvv s ASN 159 N 1.94 6.47 0.67 3.03 -0.87 -1.26 -3.41 114.94 121.52 2bvv s ASN 159 Ca 0.24 0.56 -0.09 0.00 -1.57 0.00 0.00 52.86 52.00 2bvv s ASN 159 Cb -0.10 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 39.01 2bvv s ASN 159 CO -0.08 0.25 1.02 -0.76 -2.57 0.00 0.00 177.10 174.96 2bvv s LEU 160 N -0.32 2.98 0.98 0.60 1.43 -1.26 -4.96 118.68 118.13 2bvv s LEU 160 Ca 0.17 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 2bvv s LEU 160 Cb -0.13 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.63 2bvv s LEU 160 CO 0.05 -1.31 1.10 -0.83 0.23 0.00 0.00 176.35 175.59 2bvv s GLY 161 N -4.37 1.57 0.23 -3.19 0.00 -1.26 -4.78 107.32 95.52 2bvv s GLY 161 Ca 0.57 -0.40 0.20 0.00 0.00 0.00 0.00 44.72 45.09 2bvv s GLY 161 CO 0.48 0.20 1.18 1.48 0.00 0.00 0.00 173.10 176.45 2bvv h SER 162 N -1.82 0.00 -3.61 1.64 4.64 -1.08 -3.44 113.55 109.88 2bvv h SER 162 Ca -0.54 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.09 2bvv h SER 162 Cb 1.33 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.20 2bvv h SER 162 CO 0.58 0.22 -0.49 0.21 -0.87 0.00 0.00 176.83 176.48 2bvv s ASN 163 N -5.83 5.86 -0.12 4.97 2.47 -0.92 -4.98 114.94 116.39 2bvv s ASN 163 Ca 0.01 -0.73 -0.20 0.00 0.42 0.00 0.00 52.86 52.36 2bvv s ASN 163 Cb 0.08 -2.08 -0.04 0.00 -1.45 0.00 0.00 41.25 37.76 2bvv s ASN 163 CO 0.76 -0.32 0.56 0.26 -3.72 0.00 0.00 177.10 174.63 2bvv s TRP 164 N 1.64 3.50 0.00 0.43 0.52 -1.26 0.54 118.94 124.31 2bvv s TRP 164 Ca 0.04 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.14 2bvv s TRP 164 Cb -0.18 -2.66 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 2bvv s TRP 164 CO 0.08 0.08 0.00 0.00 0.02 0.00 0.00 176.95 177.14 2bvv n ALA 165 N 3.97 0.00 -1.15 0.98 0.00 -0.52 -4.45 120.51 119.33 2bvv n ALA 165 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 2bvv n ALA 165 Cb 0.51 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.07 2bvv n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2bvv s TYR 166 N 2.22 2.39 -0.10 0.00 -0.85 -1.03 0.01 117.35 119.99 2bvv s TYR 166 Ca 0.00 1.59 -0.03 0.00 -0.52 0.00 0.00 57.07 58.10 2bvv s TYR 166 Cb 0.00 -3.11 0.05 0.00 0.38 0.00 0.00 41.96 39.28 2bvv s TYR 166 CO 0.00 -2.02 0.11 -1.14 -1.52 0.00 0.00 175.55 170.98 2bvv s GLN 167 N -4.86 0.01 0.05 -3.49 0.74 -0.27 -2.62 119.66 109.23 2bvv s GLN 167 Ca 0.62 0.26 -0.04 0.00 0.05 0.00 0.00 55.36 56.26 2bvv s GLN 167 Cb -0.18 -0.93 -0.02 0.00 1.10 0.00 0.00 33.01 32.98 2bvv s GLN 167 CO 0.56 -0.46 0.05 0.14 -0.55 0.00 0.00 175.29 175.03 2bvv s VAL 168 N 2.20 0.17 -0.52 1.34 -7.23 0.47 -0.49 120.40 116.33 2bvv s VAL 168 Ca 0.04 -1.37 -0.22 0.00 -1.81 0.00 0.00 61.98 58.61 2bvv s VAL 168 Cb -0.14 -1.15 0.04 0.00 0.56 0.00 0.00 36.38 35.70 2bvv s VAL 168 CO -0.06 -0.76 0.81 -0.32 -0.31 0.00 0.00 175.10 174.46 2bvv s MET 169 N -3.22 3.27 0.41 4.82 1.75 -0.72 0.23 119.30 125.83 2bvv s MET 169 Ca 0.00 -0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.05 2bvv s MET 169 Cb 0.03 -4.05 -0.07 0.00 2.84 0.00 0.00 34.83 33.58 2bvv s MET 169 CO -0.07 -1.34 0.02 0.00 -0.65 0.00 0.00 175.02 172.98 2bvv s ALA 170 N 3.40 3.12 -0.26 4.11 0.00 0.46 -3.40 121.76 129.19 2bvv s ALA 170 Ca 0.25 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.22 2bvv s ALA 170 Cb -0.15 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2bvv s ALA 170 CO 0.17 -0.15 -0.04 0.99 0.00 0.00 0.00 175.76 176.73 2bvv s THR 171 N -2.87 2.98 -0.08 0.00 2.01 0.51 -1.20 115.64 116.98 2bvv s THR 171 Ca 0.31 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2bvv s THR 171 Cb 0.08 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2bvv s THR 171 CO 0.15 0.14 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.37 2bvv s GLU 172 N 1.33 2.82 0.13 4.92 2.12 -0.57 -1.54 118.70 127.91 2bvv s GLU 172 Ca -0.01 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.65 2bvv s GLU 172 Cb -0.17 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 2bvv s GLU 172 CO -0.03 0.45 -0.12 0.20 -0.54 0.00 0.00 175.26 175.22 2bvv s GLY 173 N -0.27 1.02 -0.12 -1.50 0.00 -0.74 0.08 107.32 105.78 2bvv s GLY 173 Ca 0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 2bvv s GLY 173 CO 0.03 -1.42 0.13 -0.47 0.00 0.00 0.00 173.10 171.37 2bvv s TYR 174 N -2.66 -0.04 -1.22 1.90 5.04 -0.95 -2.24 117.35 117.19 2bvv s TYR 174 Ca 0.11 0.19 -0.32 0.00 -2.44 0.00 0.00 57.07 54.61 2bvv s TYR 174 Cb -0.02 -0.45 0.04 0.00 0.35 0.00 0.00 41.96 41.88 2bvv s TYR 174 CO 0.01 -0.39 0.67 1.04 -1.34 0.00 0.00 175.55 175.55 2bvv n GLN 175 N 5.31 -0.37 -2.29 4.97 6.02 -0.22 -4.39 117.38 126.40 2bvv n GLN 175 Ca -0.05 0.11 -0.05 0.00 -0.01 0.00 0.00 57.00 57.00 2bvv n GLN 175 Cb 0.50 -2.72 -0.01 0.00 1.02 0.00 0.00 30.24 29.03 2bvv n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2bvv n SER 176 N -2.23 -0.53 -4.14 1.08 3.41 -1.26 -4.70 113.62 105.24 2bvv n SER 176 Ca -0.12 -1.62 -0.09 0.00 -0.26 0.00 0.00 58.87 56.78 2bvv n SER 176 Cb 0.57 0.96 -0.10 0.00 -0.26 0.00 0.00 64.21 65.38 2bvv n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2bvv s SER 177 N -1.73 0.83 0.00 4.04 0.01 -1.25 -1.86 113.70 113.74 2bvv s SER 177 Ca 0.09 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2bvv s SER 177 Cb -0.01 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2bvv s SER 177 CO 0.06 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2bvv n GLY 178 N -0.00 -1.43 3.10 3.44 0.00 -0.51 0.50 105.19 110.29 2bvv n GLY 178 Ca -0.12 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2bvv n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bvv s SER 179 N -2.94 0.07 -0.02 1.61 0.01 -0.75 -1.56 113.70 110.12 2bvv s SER 179 Ca 0.00 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.74 2bvv s SER 179 Cb 0.00 0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.48 2bvv s SER 179 CO 0.00 -0.40 0.49 -0.94 0.41 0.00 0.00 173.24 172.79 2bvv s SER 180 N -1.57 -0.41 -0.16 2.44 1.04 -0.47 -0.78 113.70 113.79 2bvv s SER 180 Ca -0.13 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 2bvv s SER 180 Cb -0.06 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.55 2bvv s SER 180 CO 0.00 -0.55 0.16 0.21 0.98 0.00 0.00 173.24 174.04 2bvv s ASN 181 N -1.36 1.52 0.02 7.02 3.84 0.21 -0.85 114.94 125.34 2bvv s ASN 181 Ca -0.11 -0.21 0.04 0.00 0.21 0.00 0.00 52.86 52.79 2bvv s ASN 181 Cb -0.02 0.15 -0.02 0.00 -0.55 0.00 0.00 41.25 40.81 2bvv s ASN 181 CO 0.06 -0.31 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.24 2bvv s VAL 182 N 2.26 0.98 -0.14 -5.21 1.01 -0.28 -0.89 120.40 118.13 2bvv s VAL 182 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2bvv s VAL 182 Cb -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.37 2bvv s VAL 182 CO -0.09 0.10 -0.20 -0.89 0.00 0.00 0.00 175.10 174.01 2bvv s THR 183 N -0.61 2.28 0.02 3.92 2.01 -0.56 -0.86 115.64 121.84 2bvv s THR 183 Ca 0.02 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.19 2bvv s THR 183 Cb -0.06 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2bvv s THR 183 CO 0.00 0.54 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 2bvv s VAL 184 N 0.73 2.41 0.00 3.82 1.01 0.56 -1.11 120.40 127.82 2bvv s VAL 184 Ca -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2bvv s VAL 184 Cb -0.16 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2bvv s VAL 184 CO 0.00 0.42 0.00 -2.67 0.00 0.00 0.00 175.10 172.86