#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvv s SER 2 N 0.00 6.53 0.44 0.00 0.15 -1.26 -4.43 113.70 115.13 1bvv s SER 2 Ca 0.00 0.64 -0.22 0.00 0.70 0.00 0.00 55.95 57.07 1bvv s SER 2 Cb 0.00 -2.28 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 1bvv s SER 2 CO 0.00 -0.17 1.04 0.42 1.20 0.00 0.00 173.24 175.73 1bvv s THR 3 N 1.61 3.81 -0.02 6.45 -4.23 -1.26 -4.96 115.64 117.03 1bvv s THR 3 Ca 0.23 1.24 0.03 0.00 -1.18 0.00 0.00 61.69 62.01 1bvv s THR 3 Cb -0.15 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1bvv s THR 3 CO 0.09 -0.13 0.84 -0.90 -0.54 0.00 0.00 174.62 173.98 1bvv n ASP 4 N -0.51 0.94 -3.91 3.99 5.68 0.13 -4.97 116.55 117.90 1bvv n ASP 4 Ca 0.07 -1.79 -0.18 0.00 -0.50 0.00 0.00 54.79 52.39 1bvv n ASP 4 Cb 0.51 -0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 40.24 1bvv n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1bvv s TYR 5 N -0.72 0.56 -0.26 2.11 5.04 -0.59 -4.59 117.35 118.89 1bvv s TYR 5 Ca 0.05 -0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1bvv s TYR 5 Cb 0.04 -0.46 0.04 0.00 0.35 0.00 0.00 41.96 41.93 1bvv s TYR 5 CO 0.00 -0.09 -0.07 -0.46 -1.34 0.00 0.00 175.55 173.59 1bvv s TRP 6 N 0.44 3.13 -0.24 4.97 -0.00 -1.26 -1.48 118.94 124.50 1bvv s TRP 6 Ca -0.05 -1.81 -0.11 0.00 -0.00 0.00 0.00 56.10 54.13 1bvv s TRP 6 Cb -0.09 -2.03 -0.05 0.00 -0.00 0.00 0.00 33.47 31.30 1bvv s TRP 6 CO -0.00 -0.79 0.18 -1.14 -0.00 0.00 0.00 176.95 175.20 1bvv s GLN 7 N 1.26 4.08 -0.42 5.86 2.00 0.98 -4.99 119.66 128.44 1bvv s GLN 7 Ca -0.03 -0.23 0.04 0.00 -2.00 0.00 0.00 55.36 53.14 1bvv s GLN 7 Cb -0.18 -3.53 0.17 0.00 0.80 0.00 0.00 33.01 30.27 1bvv s GLN 7 CO -0.04 0.06 0.46 1.21 -0.50 0.00 0.00 175.29 176.47 1bvv s ASN 8 N 1.03 0.52 -0.04 6.67 3.04 -1.25 -1.05 114.94 123.86 1bvv s ASN 8 Ca 0.08 -1.96 0.07 0.00 0.04 0.00 0.00 52.86 51.10 1bvv s ASN 8 Cb -0.13 0.67 -0.02 0.00 -1.54 0.00 0.00 41.25 40.23 1bvv s ASN 8 CO 0.04 -0.19 -0.26 0.86 -3.04 0.00 0.00 177.10 174.52 1bvv s TRP 9 N 0.98 2.38 -0.02 0.43 -0.00 -0.21 -5.01 118.94 117.49 1bvv s TRP 9 Ca 0.24 -0.56 -0.04 0.00 -0.00 0.00 0.00 56.10 55.74 1bvv s TRP 9 Cb -0.07 -1.54 0.00 0.00 -0.00 0.00 0.00 33.47 31.86 1bvv s TRP 9 CO -0.07 -0.12 0.08 -0.08 -0.00 0.00 0.00 176.95 176.76 1bvv s THR 10 N -0.42 0.04 -2.00 5.86 -1.32 -1.26 -0.30 115.64 116.24 1bvv s THR 10 Ca 0.04 -0.31 0.15 0.00 -1.21 0.00 0.00 61.69 60.37 1bvv s THR 10 Cb -0.12 -0.23 0.44 0.00 -1.51 0.00 0.00 72.50 71.08 1bvv s THR 10 CO 0.01 -0.17 1.57 -0.90 -2.21 0.00 0.00 174.62 172.92 1bvv n ASP 11 N 2.44 0.00 0.00 8.08 5.68 -0.30 -4.86 116.55 127.59 1bvv n ASP 11 Ca -0.17 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1bvv n ASP 11 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1bvv n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bvv n GLY 12 N 0.70 0.33 3.75 6.12 0.00 -1.26 -4.99 105.19 109.84 1bvv n GLY 12 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1bvv n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bvv s GLY 13 N -1.76 2.88 0.00 -0.02 0.00 -1.26 -4.94 107.32 102.23 1bvv s GLY 13 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1bvv s GLY 13 CO 0.00 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.79 1bvv n GLY 14 N 2.06 0.76 3.37 0.20 0.00 -1.18 -2.90 105.19 107.50 1bvv n GLY 14 Ca -0.03 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1bvv n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bvv s ILE 15 N 0.00 3.21 -0.35 -0.61 1.01 -0.61 -4.93 121.20 118.92 1bvv s ILE 15 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1bvv s ILE 15 Cb 0.00 -2.38 0.11 0.00 0.01 0.00 0.00 42.46 40.20 1bvv s ILE 15 CO 0.00 0.50 0.13 -0.69 0.00 0.00 0.00 174.94 174.88 1bvv s VAL 16 N 0.64 1.04 -0.84 2.92 1.01 -1.26 -1.08 120.40 122.83 1bvv s VAL 16 Ca -0.06 -1.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.00 1bvv s VAL 16 Cb -0.15 -1.77 0.15 0.00 0.00 0.00 0.00 36.38 34.61 1bvv s VAL 16 CO 0.03 -0.74 0.96 0.21 0.00 0.00 0.00 175.10 175.55 1bvv s ASN 17 N 1.25 6.59 -0.20 3.32 3.04 0.12 -4.96 114.94 124.10 1bvv s ASN 17 Ca 0.12 -2.11 -0.15 0.00 0.04 0.00 0.00 52.86 50.76 1bvv s ASN 17 Cb -0.19 -2.33 -0.04 0.00 -1.54 0.00 0.00 41.25 37.14 1bvv s ASN 17 CO -0.17 -0.94 0.35 0.00 -3.04 0.00 0.00 177.10 173.30 1bvv s ALA 18 N 2.00 3.57 -0.23 1.71 0.00 -1.26 -1.55 121.76 125.99 1bvv s ALA 18 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1bvv s ALA 18 Cb -0.09 -2.56 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 1bvv s ALA 18 CO -0.06 -0.22 -0.03 0.08 0.00 0.00 0.00 175.76 175.53 1bvv s VAL 19 N 1.13 3.39 -0.91 0.00 1.01 0.23 -4.99 120.40 120.25 1bvv s VAL 19 Ca 0.17 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 1bvv s VAL 19 Cb -0.14 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1bvv s VAL 19 CO 0.07 0.35 1.30 0.21 0.00 0.00 0.00 175.10 177.03 1bvv s ASN 20 N 1.46 6.44 1.01 3.32 3.84 -1.26 -2.07 114.94 127.68 1bvv s ASN 20 Ca 0.05 -1.36 -0.04 0.00 0.21 0.00 0.00 52.86 51.72 1bvv s ASN 20 Cb -0.15 -2.51 0.05 0.00 -0.55 0.00 0.00 41.25 38.09 1bvv s ASN 20 CO -0.03 -1.46 0.27 0.61 -2.79 0.00 0.00 177.10 173.71 1bvv n GLY 21 N 6.16 -1.37 3.78 1.21 0.00 -0.31 -5.00 105.19 109.65 1bvv n GLY 21 Ca 0.22 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1bvv n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvv s SER 22 N -2.04 6.08 1.25 1.61 1.04 -1.26 -4.57 113.70 115.82 1bvv s SER 22 Ca 0.16 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1bvv s SER 22 Cb -0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1bvv s SER 22 CO 0.11 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1bvv n GLY 23 N 0.18 3.27 1.65 7.32 0.00 -1.26 -0.97 105.19 115.39 1bvv n GLY 23 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1bvv n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvv n GLY 24 N 0.00 2.73 3.87 -0.02 0.00 -1.26 -4.86 105.19 105.65 1bvv n GLY 24 Ca 0.00 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1bvv n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bvv s ASN 25 N -0.63 6.62 0.07 1.61 3.84 -0.14 0.01 114.94 126.31 1bvv s ASN 25 Ca 0.45 0.74 -0.21 0.00 0.21 0.00 0.00 52.86 54.04 1bvv s ASN 25 Cb 0.34 -2.16 0.05 0.00 -0.55 0.00 0.00 41.25 38.93 1bvv s ASN 25 CO 0.13 0.24 0.51 -0.72 -2.79 0.00 0.00 177.10 174.46 1bvv s TYR 26 N -1.29 -0.40 0.06 0.43 -0.85 -0.30 -1.16 117.35 113.85 1bvv s TYR 26 Ca 0.29 0.35 0.00 0.00 -0.52 0.00 0.00 57.07 57.19 1bvv s TYR 26 Cb -0.14 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1bvv s TYR 26 CO 0.16 -0.68 -0.04 -1.54 -1.52 0.00 0.00 175.55 171.93 1bvv s SER 27 N -2.20 0.67 -0.06 -0.18 1.04 -0.88 -1.20 113.70 110.89 1bvv s SER 27 Ca -0.03 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.45 1bvv s SER 27 Cb -0.00 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1bvv s SER 27 CO -0.05 -0.50 0.13 -0.69 0.98 0.00 0.00 173.24 173.11 1bvv s VAL 28 N -3.40 -0.04 -0.20 5.02 1.01 0.34 -0.61 120.40 122.53 1bvv s VAL 28 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1bvv s VAL 28 Cb 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.24 1bvv s VAL 28 CO -0.07 0.06 -0.17 0.20 0.00 0.00 0.00 175.10 175.12 1bvv s ASN 29 N 0.90 3.44 0.12 3.32 0.01 -0.59 -1.27 114.94 120.86 1bvv s ASN 29 Ca -0.07 -0.83 0.05 0.00 -0.71 0.00 0.00 52.86 51.30 1bvv s ASN 29 Cb -0.09 -1.47 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 1bvv s ASN 29 CO -0.04 -0.05 -0.12 -1.66 -1.51 0.00 0.00 177.10 173.72 1bvv s TRP 30 N 1.26 1.24 -0.24 2.20 -2.14 -0.51 0.11 118.94 120.86 1bvv s TRP 30 Ca 0.01 -0.63 -0.15 0.00 2.66 0.00 0.00 56.10 58.00 1bvv s TRP 30 Cb -0.15 -0.65 0.07 0.00 -3.10 0.00 0.00 33.47 29.64 1bvv s TRP 30 CO -0.11 0.08 0.59 -1.54 -2.66 0.00 0.00 176.95 173.31 1bvv s SER 31 N -2.59 -0.76 -1.28 -2.66 1.04 -0.24 -1.10 113.70 106.11 1bvv s SER 31 Ca 0.09 1.28 -0.17 0.00 0.48 0.00 0.00 55.95 57.63 1bvv s SER 31 Cb -0.03 1.17 0.01 0.00 0.10 0.00 0.00 66.02 67.27 1bvv s SER 31 CO 0.01 -0.22 0.58 0.59 0.98 0.00 0.00 173.24 175.18 1bvv n ASN 32 N 4.05 -2.97 -4.61 7.02 3.02 -0.50 -1.58 115.26 119.70 1bvv n ASN 32 Ca -0.20 -1.12 -0.24 0.00 -0.03 0.00 0.00 54.58 52.99 1bvv n ASN 32 Cb 0.57 -2.62 0.12 0.00 -0.61 0.00 0.00 39.78 37.24 1bvv n ASN 32 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bvv n THR 33 N -4.53 0.00 0.00 3.41 -2.24 -1.04 -3.08 114.28 106.80 1bvv n THR 33 Ca -0.18 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.99 1bvv n THR 33 Cb 0.62 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1bvv n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bvv n GLY 34 N -2.91 0.94 3.83 3.38 0.00 -1.14 -2.62 105.19 106.66 1bvv n GLY 34 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1bvv n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bvv s ASN 35 N -0.43 6.05 0.04 1.61 3.04 -1.26 -1.55 114.94 122.43 1bvv s ASN 35 Ca 0.00 0.35 -0.21 0.00 0.04 0.00 0.00 52.86 53.05 1bvv s ASN 35 Cb 0.00 -1.88 0.04 0.00 -1.54 0.00 0.00 41.25 37.87 1bvv s ASN 35 CO 0.00 0.38 0.47 0.72 -3.04 0.00 0.00 177.10 175.63 1bvv s PHE 36 N -1.03 -0.36 -0.05 0.43 -0.12 -0.99 -1.15 117.98 114.71 1bvv s PHE 36 Ca 0.16 0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 57.42 1bvv s PHE 36 Cb -0.12 0.28 0.03 0.00 -0.63 0.00 0.00 43.02 42.59 1bvv s PHE 36 CO 0.06 -0.60 0.08 0.08 -0.05 0.00 0.00 175.22 174.79 1bvv s VAL 37 N -2.31 -0.14 -0.01 -2.49 1.01 0.59 -2.01 120.40 115.04 1bvv s VAL 37 Ca -0.06 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1bvv s VAL 37 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1bvv s VAL 37 CO -0.01 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.43 1bvv s VAL 38 N 2.19 1.16 0.00 2.92 1.01 -0.66 -1.04 120.40 125.98 1bvv s VAL 38 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1bvv s VAL 38 Cb -0.12 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1bvv s VAL 38 CO -0.04 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1bvv n GLY 39 N 2.69 0.18 3.30 4.51 0.00 -0.22 -0.15 105.19 115.49 1bvv n GLY 39 Ca -0.14 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 1bvv n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvv s LYS 40 N -2.00 1.31 0.00 1.61 1.02 -1.21 -0.01 119.74 120.46 1bvv s LYS 40 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1bvv s LYS 40 Cb 0.00 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1bvv s LYS 40 CO 0.00 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1bvv n GLY 41 N 1.37 0.59 3.22 -3.33 0.00 -0.55 -1.63 105.19 104.86 1bvv n GLY 41 Ca -0.18 0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1bvv n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bvv s TRP 42 N 1.79 1.63 0.29 1.61 0.51 0.47 -0.69 118.94 124.55 1bvv s TRP 42 Ca 0.00 -0.36 -0.01 0.00 -2.12 0.00 0.00 56.10 53.61 1bvv s TRP 42 Cb 0.00 -0.98 0.43 0.00 -0.81 0.00 0.00 33.47 32.11 1bvv s TRP 42 CO 0.00 0.07 1.87 1.15 -0.51 0.00 0.00 176.95 179.53 1bvv h THR 43 N 4.42 1.22 -3.58 2.01 2.02 -1.86 -0.06 112.91 117.08 1bvv h THR 43 Ca -0.41 -0.68 -0.67 0.00 0.77 0.00 0.00 66.41 65.42 1bvv h THR 43 Cb 1.16 0.50 -0.36 0.00 -1.74 0.00 0.00 68.15 67.71 1bvv h THR 43 CO 0.44 0.27 -0.82 -0.89 0.37 0.00 0.00 175.52 174.89 1bvv s THR 44 N -5.40 2.16 0.83 3.16 2.01 -1.26 -2.53 115.64 114.61 1bvv s THR 44 Ca -0.10 -1.38 -0.11 0.00 0.31 0.00 0.00 61.69 60.41 1bvv s THR 44 Cb 0.16 -2.14 0.09 0.00 0.01 0.00 0.00 72.50 70.62 1bvv s THR 44 CO 0.80 0.17 1.10 -0.83 -0.69 0.00 0.00 174.62 175.17 1bvv s GLY 45 N 1.17 1.66 -0.06 4.40 0.00 0.92 -4.83 107.32 110.58 1bvv s GLY 45 Ca -0.04 0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 1bvv s GLY 45 CO -0.08 0.65 0.16 -0.45 0.00 0.00 0.00 173.10 173.38 1bvv s SER 46 N -3.24 -0.16 0.05 1.64 0.15 -1.26 -4.86 113.70 106.02 1bvv s SER 46 Ca 0.63 0.32 0.22 0.00 0.70 0.00 0.00 55.95 57.82 1bvv s SER 46 Cb -0.19 0.30 0.90 0.00 -1.71 0.00 0.00 66.02 65.32 1bvv s SER 46 CO 0.57 -0.08 1.69 -0.81 1.20 0.00 0.00 173.24 175.81 1bvv n PRO 47 N 3.33 0.04 -0.01 5.44 -0.04 -1.26 -2.96 135.00 139.55 1bvv n PRO 47 Ca -0.16 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1bvv n PRO 47 Cb 0.57 -1.57 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1bvv n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bvv n PHE 48 N -1.65 0.02 -2.32 0.54 3.72 -1.26 -3.01 117.46 113.50 1bvv n PHE 48 Ca 0.05 -0.01 -0.39 0.00 -0.05 0.00 0.00 57.45 57.05 1bvv n PHE 48 Cb 0.26 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1bvv n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1bvv s ARG 49 N -1.58 4.25 -0.30 -1.08 3.52 -1.16 -4.78 118.95 117.83 1bvv s ARG 49 Ca 0.23 1.87 -0.06 0.00 -0.13 0.00 0.00 55.73 57.63 1bvv s ARG 49 Cb 0.16 -2.86 0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1bvv s ARG 49 CO 0.24 -0.16 0.08 0.99 -0.81 0.00 0.00 175.30 175.64 1bvv s THR 50 N -1.32 3.87 -0.15 4.11 2.01 -1.26 -3.27 115.64 119.62 1bvv s THR 50 Ca 0.53 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 1bvv s THR 50 Cb -0.32 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1bvv s THR 50 CO 0.41 0.04 0.28 -0.63 -0.69 0.00 0.00 174.62 174.03 1bvv s ILE 51 N 1.47 5.31 0.00 1.82 1.09 -0.59 -4.94 121.20 125.36 1bvv s ILE 51 Ca 0.02 0.53 0.04 0.00 -1.10 0.00 0.00 60.65 60.14 1bvv s ILE 51 Cb -0.18 -3.62 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 1bvv s ILE 51 CO 0.02 0.41 -0.10 0.20 -0.10 0.00 0.00 174.94 175.37 1bvv s ASN 52 N 0.31 4.35 0.17 3.58 0.01 -0.25 -0.18 114.94 122.93 1bvv s ASN 52 Ca 0.16 -0.21 -0.23 0.00 -0.71 0.00 0.00 52.86 51.87 1bvv s ASN 52 Cb -0.13 -0.94 0.06 0.00 0.41 0.00 0.00 41.25 40.65 1bvv s ASN 52 CO 0.04 0.29 0.63 -0.72 -1.51 0.00 0.00 177.10 175.83 1bvv s TYR 53 N -0.93 -0.48 -0.17 2.20 1.13 -0.37 -1.30 117.35 117.43 1bvv s TYR 53 Ca 0.15 0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 56.01 1bvv s TYR 53 Cb -0.11 0.58 0.07 0.00 -1.10 0.00 0.00 41.96 41.41 1bvv s TYR 53 CO 0.06 -0.89 0.16 1.21 -2.51 0.00 0.00 175.55 173.58 1bvv s ASN 54 N -2.76 1.61 -0.82 -0.18 3.04 -0.33 -0.24 114.94 115.25 1bvv s ASN 54 Ca 0.03 -0.27 -0.19 0.00 0.04 0.00 0.00 52.86 52.46 1bvv s ASN 54 Cb -0.02 0.14 0.12 0.00 -1.54 0.00 0.00 41.25 39.95 1bvv s ASN 54 CO -0.10 -0.32 1.02 0.00 -3.04 0.00 0.00 177.10 174.66 1bvv s ALA 55 N 2.25 3.34 0.46 1.71 0.00 -1.26 -1.55 121.76 126.71 1bvv s ALA 55 Ca 0.05 -2.50 0.21 0.00 0.00 0.00 0.00 51.96 49.71 1bvv s ALA 55 Cb -0.15 -3.92 1.26 0.00 0.00 0.00 0.00 23.12 20.31 1bvv s ALA 55 CO -0.10 -2.83 2.06 0.78 0.00 0.00 0.00 175.76 175.67 1bvv h GLY 56 N 10.48 0.00 -6.92 0.00 0.00 -1.47 -1.57 103.07 103.60 1bvv h GLY 56 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1bvv h GLY 56 CO 1.11 0.00 -0.74 0.14 0.00 0.00 0.00 176.54 177.05 1bvv s VAL 57 N -4.51 0.01 -0.34 4.60 1.01 -1.00 -4.80 120.40 115.37 1bvv s VAL 57 Ca -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1bvv s VAL 57 Cb 0.15 -0.20 0.13 0.00 0.00 0.00 0.00 36.38 36.46 1bvv s VAL 57 CO 0.64 0.16 0.18 0.86 0.00 0.00 0.00 175.10 176.94 1bvv s TRP 58 N 1.67 0.83 -0.49 5.22 -0.00 -1.26 -0.83 118.94 124.09 1bvv s TRP 58 Ca -0.01 -1.53 0.07 0.00 -0.00 0.00 0.00 56.10 54.63 1bvv s TRP 58 Cb -0.13 -1.08 0.25 0.00 -0.00 0.00 0.00 33.47 32.51 1bvv s TRP 58 CO -0.03 -0.83 0.60 0.00 -0.00 0.00 0.00 176.95 176.70 1bvv n ALA 59 N 4.36 3.07 -1.88 5.86 0.00 0.33 -5.03 120.51 127.22 1bvv n ALA 59 Ca 0.06 -3.93 -0.36 0.00 0.00 0.00 0.00 53.44 49.21 1bvv n ALA 59 Cb 0.38 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1bvv n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bvv s PRO 60 N -1.66 4.41 0.03 0.00 0.04 -1.26 -1.67 135.00 134.89 1bvv s PRO 60 Ca 0.37 1.15 0.22 0.00 0.04 0.00 0.00 61.00 62.78 1bvv s PRO 60 Cb 0.16 -2.68 -0.21 0.00 0.04 0.00 0.00 34.50 31.81 1bvv s PRO 60 CO -0.07 0.24 0.70 0.09 0.04 0.00 0.00 177.00 178.00 1bvv n ASN 61 N 0.31 0.34 0.00 6.66 3.02 0.68 -4.90 115.26 121.38 1bvv n ASN 61 Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1bvv n ASN 61 Cb 0.51 1.44 0.00 0.00 -0.61 0.00 0.00 39.78 41.12 1bvv n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bvv n GLY 62 N 1.28 5.03 3.62 7.41 0.00 -1.24 -4.83 105.19 116.46 1bvv n GLY 62 Ca -0.02 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1bvv n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bvv s ASN 63 N 1.15 6.51 -0.12 1.61 3.04 -1.26 -2.02 114.94 123.85 1bvv s ASN 63 Ca 0.00 1.22 -0.27 0.00 0.04 0.00 0.00 52.86 53.85 1bvv s ASN 63 Cb 0.00 -2.54 0.07 0.00 -1.54 0.00 0.00 41.25 37.24 1bvv s ASN 63 CO 0.00 -1.22 0.66 -0.83 -3.04 0.00 0.00 177.10 172.67 1bvv s GLY 64 N 3.47 -0.53 -0.02 1.21 0.00 -1.26 -2.35 107.32 107.84 1bvv s GLY 64 Ca 0.62 1.46 0.06 0.00 0.00 0.00 0.00 44.72 46.85 1bvv s GLY 64 CO 0.27 1.14 -0.20 -0.19 0.00 0.00 0.00 173.10 174.13 1bvv s TYR 65 N -0.67 1.77 -0.46 1.90 2.02 0.81 -1.09 117.35 121.63 1bvv s TYR 65 Ca -0.07 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.17 1bvv s TYR 65 Cb -0.02 -1.14 0.10 0.00 -0.40 0.00 0.00 41.96 40.50 1bvv s TYR 65 CO 0.07 -0.04 0.34 -1.17 -1.57 0.00 0.00 175.55 173.17 1bvv s LEU 66 N -0.42 5.55 0.02 -1.29 2.96 -0.46 -1.23 118.68 123.82 1bvv s LEU 66 Ca 0.06 -1.71 -0.17 0.00 -0.22 0.00 0.00 54.13 52.10 1bvv s LEU 66 Cb -0.08 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1bvv s LEU 66 CO -0.00 -0.65 0.38 0.28 -1.32 0.00 0.00 176.35 175.04 1bvv s THR 67 N 1.43 0.06 0.28 3.68 -1.32 -0.45 -1.81 115.64 117.51 1bvv s THR 67 Ca 0.04 -0.48 -0.29 0.00 -1.21 0.00 0.00 61.69 59.75 1bvv s THR 67 Cb -0.25 -0.87 -0.10 0.00 -1.51 0.00 0.00 72.50 69.77 1bvv s THR 67 CO 0.01 -0.26 1.28 -0.22 -2.21 0.00 0.00 174.62 173.23 1bvv s LEU 68 N -1.79 4.44 -0.02 9.08 2.96 -0.20 -0.77 118.68 132.38 1bvv s LEU 68 Ca -0.08 2.53 -0.01 0.00 -0.22 0.00 0.00 54.13 56.35 1bvv s LEU 68 Cb -0.02 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1bvv s LEU 68 CO 0.00 -0.48 0.05 -0.47 -1.32 0.00 0.00 176.35 174.13 1bvv s TYR 69 N -0.67 -0.04 0.18 5.38 5.04 0.15 -1.98 117.35 125.41 1bvv s TYR 69 Ca 0.51 0.15 -0.23 0.00 -2.44 0.00 0.00 57.07 55.06 1bvv s TYR 69 Cb -0.38 -0.05 0.07 0.00 0.35 0.00 0.00 41.96 41.96 1bvv s TYR 69 CO 0.46 -0.05 1.01 0.20 -1.34 0.00 0.00 175.55 175.83 1bvv s GLY 70 N 0.35 0.04 0.05 8.97 0.00 -1.06 -0.27 107.32 115.39 1bvv s GLY 70 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 1bvv s GLY 70 CO -0.01 1.68 -0.03 -0.98 0.00 0.00 0.00 173.10 173.75 1bvv s TRP 71 N -2.44 0.50 0.09 1.90 0.52 -1.12 -1.21 118.94 117.18 1bvv s TRP 71 Ca 0.19 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.39 1bvv s TRP 71 Cb -0.02 -0.36 -0.04 0.00 -1.15 0.00 0.00 33.47 31.90 1bvv s TRP 71 CO 0.05 -0.32 -0.07 0.95 0.02 0.00 0.00 176.95 177.58 1bvv s THR 72 N -3.34 0.69 0.26 2.01 -4.23 -0.43 -1.63 115.64 108.97 1bvv s THR 72 Ca 0.02 -1.85 0.12 0.00 -1.18 0.00 0.00 61.69 58.80 1bvv s THR 72 Cb 0.04 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1bvv s THR 72 CO -0.08 -0.82 -0.18 -0.13 -0.54 0.00 0.00 174.62 172.87 1bvv s ARG 73 N -3.60 1.73 -0.98 3.99 0.52 0.19 -1.16 118.95 119.64 1bvv s ARG 73 Ca 0.10 -1.67 -0.08 0.00 -0.52 0.00 0.00 55.73 53.55 1bvv s ARG 73 Cb 0.04 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1bvv s ARG 73 CO -0.04 0.35 0.82 0.43 0.02 0.00 0.00 175.30 176.88 1bvv n SER 74 N -0.49 -6.55 -4.95 0.23 7.64 -1.26 -2.19 113.62 106.04 1bvv n SER 74 Ca -0.07 -0.64 -0.23 0.00 1.01 0.00 0.00 58.87 58.95 1bvv n SER 74 Cb 0.59 -4.64 0.03 0.00 -1.01 0.00 0.00 64.21 59.19 1bvv n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bvv s PRO 75 N -4.44 2.71 -0.22 1.43 0.04 -1.26 -2.16 135.00 131.11 1bvv s PRO 75 Ca 0.33 -0.53 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 1bvv s PRO 75 Cb -0.07 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1bvv s PRO 75 CO 0.78 -0.63 1.50 -1.17 0.04 0.00 0.00 177.00 177.51 1bvv s LEU 76 N -4.78 3.97 -0.01 -3.56 2.96 -1.25 -4.05 118.68 111.94 1bvv s LEU 76 Ca 0.54 1.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 1bvv s LEU 76 Cb -0.10 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.07 1bvv s LEU 76 CO 0.40 -1.12 0.01 -0.63 -1.32 0.00 0.00 176.35 173.69 1bvv s ILE 77 N 4.68 0.01 -0.31 6.68 1.01 -0.31 -4.07 121.20 128.89 1bvv s ILE 77 Ca 0.66 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.31 1bvv s ILE 77 Cb -0.23 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 1bvv s ILE 77 CO 0.26 0.07 0.17 -0.70 0.00 0.00 0.00 174.94 174.73 1bvv s GLU 78 N 0.64 3.48 0.27 2.79 2.12 -1.02 -1.31 118.70 125.67 1bvv s GLU 78 Ca -0.05 -0.63 0.10 0.00 0.36 0.00 0.00 54.97 54.75 1bvv s GLU 78 Cb -0.08 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1bvv s GLU 78 CO -0.02 -0.37 -0.06 1.52 -0.54 0.00 0.00 175.26 175.79 1bvv s TYR 79 N 1.66 2.58 0.00 5.30 -0.85 -0.35 -1.72 117.35 123.97 1bvv s TYR 79 Ca 0.05 -0.26 -0.07 0.00 -0.52 0.00 0.00 57.07 56.27 1bvv s TYR 79 Cb -0.17 -1.15 0.00 0.00 0.38 0.00 0.00 41.96 41.02 1bvv s TYR 79 CO 0.08 0.64 0.13 0.71 -1.52 0.00 0.00 175.55 175.58 1bvv s TYR 80 N -2.39 0.05 -0.41 -3.49 1.51 -0.06 -2.55 117.35 110.01 1bvv s TYR 80 Ca 0.31 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1bvv s TYR 80 Cb -0.06 -0.05 0.14 0.00 -0.11 0.00 0.00 41.96 41.88 1bvv s TYR 80 CO 0.19 -0.28 0.25 0.08 -1.11 0.00 0.00 175.55 174.68 1bvv s VAL 81 N -1.36 0.76 -0.28 0.71 1.01 -0.84 -1.75 120.40 118.65 1bvv s VAL 81 Ca -0.15 -2.27 -0.27 0.00 0.00 0.00 0.00 61.98 59.29 1bvv s VAL 81 Cb -0.08 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1bvv s VAL 81 CO 0.01 -0.99 0.98 -0.69 0.00 0.00 0.00 175.10 174.41 1bvv s VAL 82 N 0.55 4.66 -0.13 2.92 1.01 0.80 -1.04 120.40 129.16 1bvv s VAL 82 Ca 0.20 1.70 0.16 0.00 0.00 0.00 0.00 61.98 64.04 1bvv s VAL 82 Cb -0.19 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.66 1bvv s VAL 82 CO -0.03 -0.29 0.33 0.47 0.00 0.00 0.00 175.10 175.57 1bvv n ASP 83 N 6.46 0.37 -3.74 3.32 8.00 -0.75 -1.33 116.55 128.88 1bvv n ASP 83 Ca 0.10 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.67 1bvv n ASP 83 Cb 0.47 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 42.09 1bvv n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1bvv s SER 84 N -5.72 -0.20 0.32 -2.24 0.15 -1.16 -0.56 113.70 104.29 1bvv s SER 84 Ca -0.08 -0.49 -0.05 0.00 0.70 0.00 0.00 55.95 56.03 1bvv s SER 84 Cb 0.07 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.92 1bvv s SER 84 CO 0.83 -0.95 0.50 -2.67 1.20 0.00 0.00 173.24 172.15 1bvv n TRP 85 N -0.28 -1.57 0.00 3.44 2.14 -1.26 -1.36 117.44 118.55 1bvv n TRP 85 Ca -0.12 -1.94 0.00 0.00 2.07 0.00 0.00 57.50 57.51 1bvv n TRP 85 Cb 0.63 0.58 0.00 0.00 -0.81 0.00 0.00 31.31 31.71 1bvv n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1bvv n GLY 86 N -0.50 0.31 0.01 -1.67 0.00 -0.25 -4.92 105.19 98.17 1bvv n GLY 86 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1bvv n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bvv n THR 87 N 0.00 0.03 -4.09 2.61 -2.24 -0.86 -4.79 114.28 104.95 1bvv n THR 87 Ca 0.00 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.48 1bvv n THR 87 Cb 0.00 -0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.02 1bvv n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bvv s TYR 88 N -3.01 1.83 -0.34 4.78 5.04 -1.26 -4.99 117.35 119.40 1bvv s TYR 88 Ca 0.12 -0.94 -0.22 0.00 -2.44 0.00 0.00 57.07 53.58 1bvv s TYR 88 Cb 0.18 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 41.09 1bvv s TYR 88 CO 0.64 -0.55 0.71 0.50 -1.34 0.00 0.00 175.55 175.51 1bvv s ARG 89 N 1.42 3.80 0.27 4.97 3.52 -1.26 -4.80 118.95 126.87 1bvv s ARG 89 Ca 0.02 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.60 1bvv s ARG 89 Cb -0.13 -3.78 -0.10 0.00 -1.56 0.00 0.00 34.95 29.37 1bvv s ARG 89 CO -0.07 -0.73 1.46 -1.25 -0.81 0.00 0.00 175.30 173.90 1bvv s PRO 90 N 2.87 4.23 0.25 5.12 0.04 -1.26 -5.01 135.00 141.24 1bvv s PRO 90 Ca 0.28 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.66 1bvv s PRO 90 Cb -0.14 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1bvv s PRO 90 CO 0.14 -0.45 0.30 0.95 0.04 0.00 0.00 177.00 177.98 1bvv s THR 91 N -0.20 0.00 0.00 1.26 -4.23 -1.26 -4.92 115.64 106.30 1bvv s THR 91 Ca 0.59 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1bvv s THR 91 Cb -0.43 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1bvv s THR 91 CO 0.47 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1bvv n GLY 92 N -0.39 2.56 3.62 3.99 0.00 -1.26 -4.99 105.19 108.73 1bvv n GLY 92 Ca 0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1bvv n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bvv s THR 93 N 0.49 4.39 0.16 2.61 2.01 -0.70 -4.85 115.64 119.74 1bvv s THR 93 Ca 0.00 1.48 -0.31 0.00 0.31 0.00 0.00 61.69 63.16 1bvv s THR 93 Cb 0.00 -4.48 -0.10 0.00 0.01 0.00 0.00 72.50 67.93 1bvv s THR 93 CO 0.00 -0.70 1.52 -0.47 -0.69 0.00 0.00 174.62 174.28 1bvv s TYR 94 N 3.96 3.10 -0.03 4.92 5.04 -1.26 -2.20 117.35 130.88 1bvv s TYR 94 Ca 0.46 0.71 0.04 0.00 -2.44 0.00 0.00 57.07 55.84 1bvv s TYR 94 Cb -0.10 -3.87 -0.05 0.00 0.35 0.00 0.00 41.96 38.29 1bvv s TYR 94 CO 0.22 -3.16 0.03 1.63 -1.34 0.00 0.00 175.55 172.93 1bvv n LYS 95 N 3.92 2.61 -3.38 4.97 4.76 0.45 -4.99 118.16 126.50 1bvv n LYS 95 Ca 0.13 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1bvv n LYS 95 Cb 0.39 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1bvv n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bvv n GLY 96 N 2.64 -0.33 3.25 0.72 0.00 -1.23 -4.98 105.19 105.26 1bvv n GLY 96 Ca -0.05 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1bvv n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bvv s THR 97 N -2.99 0.75 -0.10 2.61 -4.23 -1.26 0.51 115.64 110.93 1bvv s THR 97 Ca 0.00 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1bvv s THR 97 Cb 0.00 -2.09 0.04 0.00 1.34 0.00 0.00 72.50 71.79 1bvv s THR 97 CO 0.00 -0.50 0.25 0.54 -0.54 0.00 0.00 174.62 174.36 1bvv s VAL 98 N -3.61 -0.03 -0.19 2.29 0.11 0.08 -4.92 120.40 114.13 1bvv s VAL 98 Ca 0.23 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 1bvv s VAL 98 Cb 0.06 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1bvv s VAL 98 CO 0.04 0.05 0.46 -0.54 -3.33 0.00 0.00 175.10 171.78 1bvv s LYS 99 N 1.06 4.21 -0.25 1.54 3.01 -1.26 -0.60 119.74 127.45 1bvv s LYS 99 Ca -0.08 0.33 -0.21 0.00 -1.01 0.00 0.00 55.97 55.00 1bvv s LYS 99 Cb -0.09 -3.53 0.07 0.00 -1.01 0.00 0.00 37.83 33.27 1bvv s LYS 99 CO -0.07 -0.06 0.65 0.45 0.51 0.00 0.00 175.35 176.84 1bvv s SER 100 N 1.02 -0.72 -1.46 2.83 0.15 0.06 -4.96 113.70 110.63 1bvv s SER 100 Ca 0.22 1.34 -0.07 0.00 0.70 0.00 0.00 55.95 58.14 1bvv s SER 100 Cb -0.15 1.33 0.05 0.00 -1.71 0.00 0.00 66.02 65.54 1bvv s SER 100 CO 0.09 -0.23 0.75 0.47 1.20 0.00 0.00 173.24 175.52 1bvv n ASP 101 N 3.01 -2.51 0.00 5.45 8.00 -1.26 -1.53 116.55 127.71 1bvv n ASP 101 Ca -0.15 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1bvv n ASP 101 Cb 0.56 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1bvv n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bvv n GLY 102 N -1.69 1.69 3.41 0.44 0.00 -1.26 -4.95 105.19 102.84 1bvv n GLY 102 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1bvv n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bvv s GLY 103 N -1.98 1.81 -0.16 -0.02 0.00 -0.58 -5.14 107.32 101.26 1bvv s GLY 103 Ca 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 1bvv s GLY 103 CO 0.00 -1.80 -0.05 -1.59 0.00 0.00 0.00 173.10 169.66 1bvv s THR 104 N -3.13 3.72 -0.02 0.90 2.01 -1.26 -0.76 115.64 117.09 1bvv s THR 104 Ca 0.30 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1bvv s THR 104 Cb 0.05 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1bvv s THR 104 CO 0.12 0.49 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.99 1bvv s TYR 105 N 0.47 2.41 0.18 4.92 1.51 0.23 -1.03 117.35 126.03 1bvv s TYR 105 Ca -0.04 -0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 55.44 1bvv s TYR 105 Cb -0.15 -1.52 -0.08 0.00 -0.11 0.00 0.00 41.96 40.11 1bvv s TYR 105 CO 0.03 0.02 0.69 -0.51 -1.11 0.00 0.00 175.55 174.67 1bvv s ASP 106 N -0.69 7.10 -0.18 2.29 1.01 0.17 -0.74 116.67 125.62 1bvv s ASP 106 Ca 0.11 1.40 -0.07 0.00 0.71 0.00 0.00 52.55 54.70 1bvv s ASP 106 Cb -0.10 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1bvv s ASP 106 CO -0.00 0.12 0.04 -0.63 0.21 0.00 0.00 175.17 174.91 1bvv s ILE 107 N -1.37 4.60 0.07 0.77 1.01 0.18 -1.28 121.20 125.18 1bvv s ILE 107 Ca 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1bvv s ILE 107 Cb -0.18 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1bvv s ILE 107 CO 0.21 0.47 -0.06 -0.31 0.00 0.00 0.00 174.94 175.25 1bvv s TYR 108 N 0.38 0.75 0.01 3.97 2.02 -0.45 -0.41 117.35 123.61 1bvv s TYR 108 Ca 0.02 -0.85 0.05 0.00 -0.37 0.00 0.00 57.07 55.91 1bvv s TYR 108 Cb -0.13 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 1bvv s TYR 108 CO 0.01 -0.19 -0.15 0.95 -1.57 0.00 0.00 175.55 174.60 1bvv s THR 109 N -3.17 1.19 0.19 -0.71 -4.23 -0.93 -0.42 115.64 107.55 1bvv s THR 109 Ca 0.06 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1bvv s THR 109 Cb 0.02 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 1bvv s THR 109 CO -0.05 0.23 0.13 0.42 -0.54 0.00 0.00 174.62 174.81 1bvv s THR 110 N -0.52 0.01 -0.00 3.99 -4.23 -0.81 -1.73 115.64 112.35 1bvv s THR 110 Ca 0.05 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1bvv s THR 110 Cb -0.07 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 1bvv s THR 110 CO 0.00 -0.07 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.00 1bvv s THR 111 N -4.14 1.03 -0.12 3.99 2.01 -1.26 -0.56 115.64 116.58 1bvv s THR 111 Ca 0.36 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1bvv s THR 111 Cb 0.07 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1bvv s THR 111 CO 0.10 0.26 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.14 1bvv s ARG 112 N -0.39 3.33 -0.10 4.92 1.81 0.27 -4.98 118.95 123.81 1bvv s ARG 112 Ca 0.05 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 53.62 1bvv s ARG 112 Cb -0.05 -2.85 -0.01 0.00 -0.45 0.00 0.00 34.95 31.59 1bvv s ARG 112 CO -0.00 0.47 -0.22 0.71 -0.68 0.00 0.00 175.30 175.58 1bvv s TYR 113 N -0.24 2.59 -1.25 -0.53 1.51 -1.26 -1.43 117.35 116.73 1bvv s TYR 113 Ca 0.05 -0.87 -0.13 0.00 -1.01 0.00 0.00 57.07 55.11 1bvv s TYR 113 Cb -0.13 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1bvv s TYR 113 CO 0.02 -0.31 0.63 -1.71 -1.11 0.00 0.00 175.55 173.07 1bvv n ASN 114 N 3.35 -3.14 -4.37 2.29 5.15 -1.09 -4.93 115.26 112.52 1bvv n ASN 114 Ca -0.18 -1.03 -0.22 0.00 -0.60 0.00 0.00 54.58 52.54 1bvv n ASN 114 Cb 0.53 -3.13 -0.11 0.00 -0.53 0.00 0.00 39.78 36.54 1bvv n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bvv s ALA 115 N -3.67 2.22 0.61 5.20 0.00 -0.29 -4.71 121.76 121.11 1bvv s ALA 115 Ca 0.28 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 1bvv s ALA 115 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1bvv s ALA 115 CO 0.88 0.24 1.20 -2.14 0.00 0.00 0.00 175.76 175.94 1bvv s PRO 116 N -3.05 2.90 0.35 0.00 0.02 -1.26 -1.06 135.00 132.90 1bvv s PRO 116 Ca 0.20 1.78 0.01 0.00 0.02 0.00 0.00 61.00 63.01 1bvv s PRO 116 Cb -0.05 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.54 1bvv s PRO 116 CO 0.09 -1.25 0.43 -1.54 -0.33 0.00 0.00 177.00 174.40 1bvv s SER 117 N -1.71 1.20 0.55 2.53 1.04 -1.26 -4.88 113.70 111.17 1bvv s SER 117 Ca 0.76 -1.59 0.30 0.00 0.48 0.00 0.00 55.95 55.90 1bvv s SER 117 Cb -0.29 0.65 1.62 0.00 0.10 0.00 0.00 66.02 68.09 1bvv s SER 117 CO 0.34 -1.25 2.13 0.16 0.98 0.00 0.00 173.24 175.60 1bvv h ILE 118 N 2.10 0.44 -0.05 -1.02 3.07 -1.96 -1.75 117.51 118.34 1bvv h ILE 118 Ca -0.27 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 65.74 1bvv h ILE 118 Cb 1.24 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 1bvv h ILE 118 CO 0.38 0.08 0.00 0.47 -1.05 0.00 0.00 178.15 178.03 1bvv n ASP 119 N -3.55 0.32 -0.59 2.16 8.00 -1.26 -5.01 116.55 116.62 1bvv n ASP 119 Ca -0.02 -1.83 0.07 0.00 0.71 0.00 0.00 54.79 53.72 1bvv n ASP 119 Cb 0.20 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1bvv n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bvv n GLY 120 N 0.68 -2.39 7.00 0.44 0.00 -0.66 -4.96 105.19 105.30 1bvv n GLY 120 Ca 0.06 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1bvv n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bvv n ASP 121 N -3.17 0.00 -3.91 1.61 8.00 -1.26 -4.54 116.55 113.28 1bvv n ASP 121 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 1bvv n ASP 121 Cb 0.27 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.25 1bvv n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1bvv s ARG 122 N 0.00 0.15 0.37 -1.24 0.52 -1.26 -3.99 118.95 113.50 1bvv s ARG 122 Ca 0.00 -0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 1bvv s ARG 122 Cb 0.00 0.05 0.05 0.00 0.52 0.00 0.00 34.95 35.58 1bvv s ARG 122 CO 0.00 -0.02 0.79 -0.08 0.02 0.00 0.00 175.30 176.01 1bvv s THR 123 N -0.59 0.00 -0.20 0.02 -1.32 -0.23 -4.79 115.64 108.54 1bvv s THR 123 Ca -0.07 -0.99 -0.08 0.00 -1.21 0.00 0.00 61.69 59.35 1bvv s THR 123 Cb -0.04 -2.80 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 1bvv s THR 123 CO -0.00 0.00 0.07 -0.89 -2.21 0.00 0.00 174.62 171.59 1bvv s THR 124 N -2.44 4.75 0.10 5.08 2.01 -1.26 -1.14 115.64 122.74 1bvv s THR 124 Ca 0.15 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 1bvv s THR 124 Cb -0.05 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1bvv s THR 124 CO 0.11 0.43 0.22 0.72 -0.69 0.00 0.00 174.62 175.41 1bvv s PHE 125 N 0.62 0.13 0.18 4.92 -0.71 -0.51 -4.98 117.98 117.62 1bvv s PHE 125 Ca 0.04 -0.54 -0.11 0.00 -1.04 0.00 0.00 56.93 55.28 1bvv s PHE 125 Cb -0.13 -0.02 -0.07 0.00 -1.21 0.00 0.00 43.02 41.59 1bvv s PHE 125 CO 0.01 -0.58 0.53 0.99 -1.34 0.00 0.00 175.22 174.83 1bvv s THR 126 N -3.86 4.94 -0.11 -4.49 2.01 -1.26 -0.57 115.64 112.29 1bvv s THR 126 Ca 0.06 0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1bvv s THR 126 Cb 0.04 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1bvv s THR 126 CO -0.10 0.07 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.58 1bvv s GLN 127 N -2.44 3.09 -0.17 4.92 -0.21 0.27 -2.44 119.66 122.68 1bvv s GLN 127 Ca 0.43 -0.85 -0.09 0.00 0.02 0.00 0.00 55.36 54.87 1bvv s GLN 127 Cb -0.13 -2.38 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 1bvv s GLN 127 CO 0.20 0.14 0.14 0.71 -2.12 0.00 0.00 175.29 174.36 1bvv s TYR 128 N 0.46 3.47 0.03 0.91 2.02 -0.70 -1.93 117.35 121.61 1bvv s TYR 128 Ca -0.15 0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.99 1bvv s TYR 128 Cb -0.17 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1bvv s TYR 128 CO 0.06 0.43 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.77 1bvv s TRP 129 N -0.07 1.05 -0.27 2.71 0.52 0.44 -0.88 118.94 122.44 1bvv s TRP 129 Ca 0.10 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 55.89 1bvv s TRP 129 Cb -0.11 -0.63 0.08 0.00 -1.15 0.00 0.00 33.47 31.66 1bvv s TRP 129 CO 0.00 0.01 0.04 -1.12 0.02 0.00 0.00 176.95 175.90 1bvv s SER 130 N -1.02 3.78 -0.18 2.95 0.01 -0.72 -1.35 113.70 117.17 1bvv s SER 130 Ca 0.00 -1.37 -0.01 0.00 1.31 0.00 0.00 55.95 55.88 1bvv s SER 130 Cb -0.07 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1bvv s SER 130 CO 0.01 -0.34 -0.12 -0.69 0.41 0.00 0.00 173.24 172.50 1bvv s VAL 131 N 1.56 2.78 0.33 3.43 1.01 -0.41 -0.14 120.40 128.96 1bvv s VAL 131 Ca 0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1bvv s VAL 131 Cb -0.18 -2.21 -0.12 0.00 0.00 0.00 0.00 36.38 33.87 1bvv s VAL 131 CO -0.15 0.49 1.33 -1.14 0.00 0.00 0.00 175.10 175.63 1bvv n ARG 132 N 4.46 2.18 0.19 2.72 0.63 -0.44 -0.66 116.66 125.74 1bvv n ARG 132 Ca -0.19 0.77 0.03 0.00 -0.92 0.00 0.00 57.85 57.54 1bvv n ARG 132 Cb 0.51 -2.38 0.41 0.00 0.45 0.00 0.00 32.46 31.45 1bvv n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1bvv h GLN 133 N 2.90 0.04 -4.62 -0.14 4.20 -1.44 -3.43 115.11 112.62 1bvv h GLN 133 Ca -0.46 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 57.94 1bvv h GLN 133 Cb 1.28 -0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.83 1bvv h GLN 133 CO 0.65 0.31 -0.74 -1.54 -0.67 0.00 0.00 178.83 176.84 1bvv s SER 134 N -6.95 0.91 0.28 1.46 1.04 -1.26 -5.10 113.70 104.08 1bvv s SER 134 Ca -0.04 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.59 1bvv s SER 134 Cb 0.15 0.01 -0.12 0.00 0.10 0.00 0.00 66.02 66.16 1bvv s SER 134 CO 0.72 -0.16 1.60 0.29 0.98 0.00 0.00 173.24 176.68 1bvv n LYS 135 N 1.63 2.67 -2.65 4.02 5.02 -1.26 -4.93 118.16 122.66 1bvv n LYS 135 Ca -0.21 0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1bvv n LYS 135 Cb 0.55 -2.73 -0.03 0.00 -0.02 0.00 0.00 35.03 32.79 1bvv n LYS 135 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bvv s ARG 136 N -0.27 4.54 0.36 1.97 3.52 0.27 -5.00 118.95 124.35 1bvv s ARG 136 Ca 0.66 1.49 -0.28 0.00 -0.13 0.00 0.00 55.73 57.47 1bvv s ARG 136 Cb -0.51 -3.43 -0.11 0.00 -1.56 0.00 0.00 34.95 29.34 1bvv s ARG 136 CO 0.46 -0.08 1.51 -2.14 -0.81 0.00 0.00 175.30 174.24 1bvv s PRO 137 N 0.98 4.11 0.42 5.12 0.02 -1.26 -4.79 135.00 139.60 1bvv s PRO 137 Ca 0.53 2.58 0.08 0.00 0.02 0.00 0.00 61.00 64.21 1bvv s PRO 137 Cb -0.23 -2.97 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1bvv s PRO 137 CO 0.28 -0.56 0.44 0.95 -0.33 0.00 0.00 177.00 177.79 1bvv s THR 138 N -0.93 2.74 0.00 0.99 -4.23 -1.26 -4.61 115.64 108.34 1bvv s THR 138 Ca 0.55 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1bvv s THR 138 Cb -0.47 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1bvv s THR 138 CO 0.61 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1bvv n GLY 139 N -1.65 0.42 3.50 3.99 0.00 -0.59 -4.99 105.19 105.86 1bvv n GLY 139 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1bvv n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bvv s SER 140 N -2.68 3.61 -0.40 1.61 0.01 -1.26 -4.91 113.70 109.67 1bvv s SER 140 Ca 0.00 -1.12 -0.28 0.00 1.31 0.00 0.00 55.95 55.86 1bvv s SER 140 Cb 0.00 -0.32 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 1bvv s SER 140 CO 0.00 -0.10 1.58 0.20 0.41 0.00 0.00 173.24 175.33 1bvv s ASN 141 N -3.55 6.10 0.13 2.44 0.01 -1.26 -4.40 114.94 114.40 1bvv s ASN 141 Ca 0.31 0.93 0.04 0.00 -0.71 0.00 0.00 52.86 53.43 1bvv s ASN 141 Cb -0.01 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1bvv s ASN 141 CO 0.15 -1.61 0.11 0.00 -1.51 0.00 0.00 177.10 174.24 1bvv s ALA 142 N 6.20 3.55 -0.02 0.60 0.00 0.66 -4.96 121.76 127.79 1bvv s ALA 142 Ca 0.68 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1bvv s ALA 142 Cb -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1bvv s ALA 142 CO 0.32 0.60 -0.15 0.99 0.00 0.00 0.00 175.76 177.53 1bvv s THR 143 N -1.60 1.17 -0.31 0.00 2.01 -1.26 -1.23 115.64 114.42 1bvv s THR 143 Ca 0.30 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1bvv s THR 143 Cb -0.11 -0.99 0.09 0.00 0.01 0.00 0.00 72.50 71.50 1bvv s THR 143 CO 0.23 0.34 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.86 1bvv s ILE 144 N -0.20 2.28 -1.12 1.82 1.01 0.75 -4.78 121.20 120.95 1bvv s ILE 144 Ca 0.03 -2.09 -0.19 0.00 0.00 0.00 0.00 60.65 58.40 1bvv s ILE 144 Cb -0.07 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.92 1bvv s ILE 144 CO 0.00 -0.40 1.48 -0.89 0.00 0.00 0.00 174.94 175.13 1bvv s THR 145 N 0.98 4.30 0.37 2.92 2.01 -1.26 -1.54 115.64 123.42 1bvv s THR 145 Ca 0.04 -1.56 0.12 0.00 0.31 0.00 0.00 61.69 60.60 1bvv s THR 145 Cb -0.19 -5.03 0.34 0.00 0.01 0.00 0.00 72.50 67.63 1bvv s THR 145 CO -0.07 -1.84 1.85 0.15 -0.69 0.00 0.00 174.62 174.01 1bvv h PHE 146 N 8.51 0.75 -0.51 4.92 3.57 -1.86 -1.36 116.94 130.95 1bvv h PHE 146 Ca 0.29 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.91 1bvv h PHE 146 Cb 0.95 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1bvv h PHE 146 CO 1.28 0.22 0.35 0.00 -2.23 0.00 0.00 178.31 177.93 1bvv h THR 147 N 0.58 0.88 -0.63 4.41 1.03 -1.72 -0.20 112.91 117.26 1bvv h THR 147 Ca 0.48 -0.09 -0.07 0.00 -0.01 0.00 0.00 66.41 66.72 1bvv h THR 147 Cb 0.95 0.58 -0.03 0.00 -1.07 0.00 0.00 68.15 68.59 1bvv h THR 147 CO -0.23 0.05 0.13 0.78 -0.01 0.00 0.00 175.52 176.24 1bvv h ASN 148 N 0.27 0.96 -0.09 0.00 -0.26 -1.56 -1.74 115.58 113.15 1bvv h ASN 148 Ca 0.24 -0.20 -0.13 0.00 -0.56 0.00 0.00 56.30 55.64 1bvv h ASN 148 Cb 0.57 -0.25 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1bvv h ASN 148 CO -0.05 0.94 -0.44 0.45 -1.06 0.00 0.00 177.43 177.27 1bvv h HIS 149 N 0.96 0.62 -0.79 1.19 3.86 -1.20 -2.37 115.15 117.42 1bvv h HIS 149 Ca 0.20 -0.27 0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1bvv h HIS 149 Cb 0.38 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.69 1bvv h HIS 149 CO 0.03 1.03 0.47 0.28 0.86 0.00 0.00 177.93 180.59 1bvv h VAL 150 N 0.03 0.98 -0.26 2.45 2.07 -1.05 0.79 116.25 121.26 1bvv h VAL 150 Ca -0.03 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 1bvv h VAL 150 Cb 1.08 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1bvv h VAL 150 CO 0.09 0.15 -0.53 0.78 0.02 0.00 0.00 177.57 178.09 1bvv h ASN 151 N 0.83 0.84 -0.57 0.57 2.35 -1.35 -2.17 115.58 116.07 1bvv h ASN 151 Ca 0.36 -0.44 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1bvv h ASN 151 Cb 0.23 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1bvv h ASN 151 CO -0.20 1.20 0.07 0.00 -1.65 0.00 0.00 177.43 176.86 1bvv h ALA 152 N 0.82 0.77 -0.63 -0.83 0.00 -0.84 -2.57 119.26 115.97 1bvv h ALA 152 Ca 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1bvv h ALA 152 Cb 1.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1bvv h ALA 152 CO 0.11 0.53 0.21 -1.49 0.00 0.00 0.00 179.25 178.62 1bvv h TRP 153 N 0.86 1.00 -0.57 0.00 6.55 -0.81 -2.98 115.95 120.00 1bvv h TRP 153 Ca 0.17 -0.09 0.05 0.00 0.95 0.00 0.00 58.89 59.96 1bvv h TRP 153 Cb 0.45 -0.29 -0.05 0.00 -0.86 0.00 0.00 29.16 28.41 1bvv h TRP 153 CO 0.03 0.81 0.30 0.87 -1.05 0.00 0.00 178.44 179.41 1bvv h LYS 154 N 0.90 0.56 0.00 0.49 1.57 -1.19 0.20 116.57 119.10 1bvv h LYS 154 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1bvv h LYS 154 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1bvv h LYS 154 CO -0.01 0.37 0.00 -1.13 -0.57 0.00 0.00 179.45 178.11 1bvv n SER 155 N -4.84 0.11 -0.72 0.86 3.41 -0.99 -1.02 113.62 110.43 1bvv n SER 155 Ca 0.06 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1bvv n SER 155 Cb 0.14 -0.56 0.22 0.00 -0.26 0.00 0.00 64.21 63.75 1bvv n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1bvv n HIS 156 N -1.63 0.72 -1.03 7.33 8.25 -0.21 -4.94 115.22 123.70 1bvv n HIS 156 Ca 0.01 -0.82 -0.01 0.00 -0.26 0.00 0.00 57.72 56.64 1bvv n HIS 156 Cb 0.08 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 1bvv n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bvv n GLY 157 N -0.46 0.48 3.36 -1.41 0.00 -0.19 -4.97 105.19 102.00 1bvv n GLY 157 Ca 0.18 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 1bvv n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bvv s MET 158 N -0.93 3.80 -0.10 1.61 -1.94 0.55 -4.97 119.30 117.30 1bvv s MET 158 Ca 0.00 -2.59 -0.11 0.00 -1.71 0.00 0.00 55.69 51.28 1bvv s MET 158 Cb 0.00 -4.57 -0.05 0.00 2.01 0.00 0.00 34.83 32.23 1bvv s MET 158 CO 0.00 -1.37 0.25 -0.80 -0.01 0.00 0.00 175.02 173.09 1bvv s ASN 159 N 2.16 6.50 0.59 3.03 -0.87 -1.26 -3.18 114.94 121.91 1bvv s ASN 159 Ca 0.25 0.59 -0.06 0.00 -1.57 0.00 0.00 52.86 52.07 1bvv s ASN 159 Cb -0.09 -2.15 0.01 0.00 -0.02 0.00 0.00 41.25 39.00 1bvv s ASN 159 CO -0.08 0.28 0.90 -0.76 -2.57 0.00 0.00 177.10 174.87 1bvv s LEU 160 N -0.52 3.23 1.00 0.60 1.43 -1.26 -4.95 118.68 118.21 1bvv s LEU 160 Ca 0.17 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 1bvv s LEU 160 Cb -0.13 -3.55 0.19 0.00 0.03 0.00 0.00 46.19 42.72 1bvv s LEU 160 CO 0.06 -1.07 1.10 -0.83 0.23 0.00 0.00 176.35 175.84 1bvv s GLY 161 N -4.30 1.56 0.06 -3.19 0.00 -1.26 -4.76 107.32 95.44 1bvv s GLY 161 Ca 0.54 -0.38 0.24 0.00 0.00 0.00 0.00 44.72 45.11 1bvv s GLY 161 CO 0.45 0.23 1.26 -1.14 0.00 0.00 0.00 173.10 173.90 1bvv n SER 162 N -4.16 0.62 -4.31 1.64 3.41 -0.92 -4.73 113.62 105.18 1bvv n SER 162 Ca 0.05 -0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.17 1bvv n SER 162 Cb 0.57 0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 64.79 1bvv n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bvv s ASN 163 N -3.77 5.53 -0.09 4.04 3.04 -0.93 -4.98 114.94 117.78 1bvv s ASN 163 Ca 0.07 -1.15 -0.20 0.00 0.04 0.00 0.00 52.86 51.61 1bvv s ASN 163 Cb 0.15 -1.95 -0.04 0.00 -1.54 0.00 0.00 41.25 37.87 1bvv s ASN 163 CO 0.74 -0.39 0.57 0.26 -3.04 0.00 0.00 177.10 175.25 1bvv s TRP 164 N 1.46 3.55 0.00 0.43 0.52 -1.26 0.57 118.94 124.21 1bvv s TRP 164 Ca 0.01 1.06 0.00 0.00 0.02 0.00 0.00 56.10 57.18 1bvv s TRP 164 Cb -0.20 -2.65 0.00 0.00 -1.15 0.00 0.00 33.47 29.47 1bvv s TRP 164 CO 0.04 0.16 0.00 0.00 0.02 0.00 0.00 176.95 177.17 1bvv n ALA 165 N 3.61 0.00 -0.99 0.98 0.00 -0.65 -4.48 120.51 118.99 1bvv n ALA 165 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1bvv n ALA 165 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.11 1bvv n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1bvv s TYR 166 N 2.16 2.08 -0.14 0.00 -0.85 -1.05 -0.06 117.35 119.49 1bvv s TYR 166 Ca 0.00 1.52 -0.04 0.00 -0.52 0.00 0.00 57.07 58.04 1bvv s TYR 166 Cb 0.00 -3.18 0.07 0.00 0.38 0.00 0.00 41.96 39.23 1bvv s TYR 166 CO 0.00 -2.48 0.19 -1.14 -1.52 0.00 0.00 175.55 170.60 1bvv s GLN 167 N -4.78 0.11 0.05 -3.49 0.74 -0.03 -2.77 119.66 109.47 1bvv s GLN 167 Ca 0.64 0.38 -0.01 0.00 0.05 0.00 0.00 55.36 56.42 1bvv s GLN 167 Cb -0.20 -0.76 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 1bvv s GLN 167 CO 0.58 -0.47 -0.02 0.14 -0.55 0.00 0.00 175.29 174.97 1bvv s VAL 168 N 2.30 0.21 -0.51 1.34 -7.23 0.62 -0.40 120.40 116.74 1bvv s VAL 168 Ca 0.04 -1.71 -0.21 0.00 -1.81 0.00 0.00 61.98 58.29 1bvv s VAL 168 Cb -0.14 -1.43 0.05 0.00 0.56 0.00 0.00 36.38 35.42 1bvv s VAL 168 CO -0.09 -0.95 0.74 -0.32 -0.31 0.00 0.00 175.10 174.18 1bvv s MET 169 N -3.75 3.23 0.45 4.82 1.75 -0.64 0.31 119.30 125.46 1bvv s MET 169 Ca 0.05 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 53.97 1bvv s MET 169 Cb 0.07 -4.05 -0.04 0.00 2.84 0.00 0.00 34.83 33.64 1bvv s MET 169 CO -0.09 -1.27 0.03 0.00 -0.65 0.00 0.00 175.02 173.03 1bvv s ALA 170 N 3.14 3.47 -0.23 4.11 0.00 0.05 -3.31 121.76 129.00 1bvv s ALA 170 Ca 0.22 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1bvv s ALA 170 Cb -0.16 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1bvv s ALA 170 CO 0.16 -0.13 -0.13 0.99 0.00 0.00 0.00 175.76 176.66 1bvv s THR 171 N -2.92 2.36 -0.06 0.00 2.01 0.79 -1.33 115.64 116.47 1bvv s THR 171 Ca 0.20 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1bvv s THR 171 Cb 0.05 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1bvv s THR 171 CO 0.10 0.24 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.43 1bvv s GLU 172 N 1.24 2.65 0.14 4.92 2.12 -0.36 -1.65 118.70 127.75 1bvv s GLU 172 Ca -0.01 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1bvv s GLU 172 Cb -0.16 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 1bvv s GLU 172 CO -0.08 0.54 -0.12 0.20 -0.54 0.00 0.00 175.26 175.27 1bvv s GLY 173 N -0.52 1.07 -0.20 -1.50 0.00 -0.85 -0.13 107.32 105.19 1bvv s GLY 173 Ca 0.07 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 1bvv s GLY 173 CO 0.01 -1.48 0.27 -0.47 0.00 0.00 0.00 173.10 171.44 1bvv s TYR 174 N -2.74 -0.45 -1.25 1.90 5.04 -0.99 -2.34 117.35 116.51 1bvv s TYR 174 Ca 0.13 0.54 -0.23 0.00 -2.44 0.00 0.00 57.07 55.07 1bvv s TYR 174 Cb -0.01 -0.19 0.02 0.00 0.35 0.00 0.00 41.96 42.12 1bvv s TYR 174 CO 0.02 -0.58 0.60 1.04 -1.34 0.00 0.00 175.55 175.29 1bvv n GLN 175 N 5.34 -0.94 -2.30 4.97 6.02 -0.60 -4.42 117.38 125.44 1bvv n GLN 175 Ca -0.05 0.22 -0.05 0.00 -0.01 0.00 0.00 57.00 57.11 1bvv n GLN 175 Cb 0.50 -3.33 -0.01 0.00 1.02 0.00 0.00 30.24 28.42 1bvv n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1bvv n SER 176 N -2.48 -0.52 -4.15 1.08 3.41 -1.26 -4.71 113.62 104.98 1bvv n SER 176 Ca -0.15 -1.63 -0.11 0.00 -0.26 0.00 0.00 58.87 56.72 1bvv n SER 176 Cb 0.60 0.95 -0.10 0.00 -0.26 0.00 0.00 64.21 65.40 1bvv n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bvv s SER 177 N -1.73 1.07 0.00 4.04 0.01 -1.26 -1.41 113.70 114.41 1bvv s SER 177 Ca 0.09 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1bvv s SER 177 Cb -0.01 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1bvv s SER 177 CO 0.07 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1bvv n GLY 178 N 0.23 -2.00 3.09 3.44 0.00 -0.26 -0.23 105.19 109.46 1bvv n GLY 178 Ca -0.14 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 1bvv n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bvv s SER 179 N -2.04 -0.04 -0.04 1.61 0.01 -0.67 -1.42 113.70 111.11 1bvv s SER 179 Ca 0.00 -0.03 -0.21 0.00 1.31 0.00 0.00 55.95 57.01 1bvv s SER 179 Cb 0.00 0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.52 1bvv s SER 179 CO 0.00 -0.27 0.47 -0.94 0.41 0.00 0.00 173.24 172.91 1bvv s SER 180 N -0.91 -0.39 -0.16 2.44 1.04 -0.40 -0.52 113.70 114.80 1bvv s SER 180 Ca -0.10 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 1bvv s SER 180 Cb -0.06 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1bvv s SER 180 CO 0.01 -0.50 0.13 0.21 0.98 0.00 0.00 173.24 174.07 1bvv s ASN 181 N -1.19 1.80 0.02 7.02 3.84 -0.01 -0.50 114.94 125.92 1bvv s ASN 181 Ca -0.12 -0.34 0.05 0.00 0.21 0.00 0.00 52.86 52.65 1bvv s ASN 181 Cb -0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.64 1bvv s ASN 181 CO 0.06 -0.32 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.22 1bvv s VAL 182 N 2.21 1.09 -0.15 -5.21 1.01 -0.34 -1.11 120.40 117.89 1bvv s VAL 182 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1bvv s VAL 182 Cb -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1bvv s VAL 182 CO -0.09 0.13 -0.18 -0.89 0.00 0.00 0.00 175.10 174.07 1bvv s THR 183 N -0.63 2.44 0.02 3.92 2.01 -0.60 -1.15 115.64 121.65 1bvv s THR 183 Ca 0.03 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.26 1bvv s THR 183 Cb -0.07 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1bvv s THR 183 CO 0.01 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.56 1bvv s VAL 184 N 0.87 2.50 0.00 3.82 1.01 0.10 -1.19 120.40 127.51 1bvv s VAL 184 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1bvv s VAL 184 Cb -0.15 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1bvv s VAL 184 CO -0.02 0.43 0.00 -2.67 0.00 0.00 0.00 175.10 172.85