#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbc s LEU 2 N 0.00 4.33 -0.13 0.99 2.96 -1.26 -4.95 118.68 120.63 1vbc s LEU 2 Ca 0.00 2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 55.91 1vbc s LEU 2 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 1vbc s LEU 2 CO 0.00 -0.93 2.13 -2.84 -1.32 0.00 0.00 176.35 173.39 1vbc s PRO 3 N 3.95 3.48 0.24 0.98 0.02 -1.26 -4.99 135.00 137.42 1vbc s PRO 3 Ca 0.75 2.22 0.10 0.00 0.02 0.00 0.00 61.00 64.09 1vbc s PRO 3 Cb -0.34 -4.30 -0.05 0.00 0.02 0.00 0.00 34.50 29.83 1vbc s PRO 3 CO 0.31 -1.71 -0.18 0.14 -0.33 0.00 0.00 177.00 175.22 1vbc s VAL 4 N 6.98 2.20 -0.12 3.83 -7.23 -1.26 -5.14 120.40 119.67 1vbc s VAL 4 Ca 0.96 -2.29 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1vbc s VAL 4 Cb -0.36 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.43 1vbc s VAL 4 CO 0.37 -0.43 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.47 1vbc s LEU 5 N -3.33 1.08 0.04 1.32 0.20 -1.26 -5.12 118.68 111.61 1vbc s LEU 5 Ca 0.26 -0.35 -0.30 0.00 0.69 0.00 0.00 54.13 54.42 1vbc s LEU 5 Cb -0.04 -0.71 -0.07 0.00 -0.43 0.00 0.00 46.19 44.94 1vbc s LEU 5 CO 0.12 -0.17 1.58 0.20 -0.29 0.00 0.00 176.35 177.79 1vbc s ASN 6 N 1.79 6.67 0.41 3.68 0.01 -1.26 -5.04 114.94 121.21 1vbc s ASN 6 Ca 0.04 2.37 -0.02 0.00 -0.71 0.00 0.00 52.86 54.53 1vbc s ASN 6 Cb -0.13 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1vbc s ASN 6 CO -0.07 -0.84 0.66 0.42 -1.51 0.00 0.00 177.10 175.75 1vbc s THR 7 N 2.66 4.98 0.27 1.60 -4.23 -1.26 -5.02 115.64 114.65 1vbc s THR 7 Ca 0.71 -0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.78 1vbc s THR 7 Cb -0.37 -3.85 -0.15 0.00 1.34 0.00 0.00 72.50 69.47 1vbc s THR 7 CO 0.30 -0.68 0.72 -2.65 -0.54 0.00 0.00 174.62 171.77 1vbc n PRO 8 N -2.01 0.65 0.00 3.99 -0.02 -1.26 -1.93 135.00 134.42 1vbc n PRO 8 Ca -0.02 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1vbc n PRO 8 Cb 0.56 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1vbc n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vbc n GLY 9 N 1.65 3.30 3.67 -1.23 0.00 -1.26 -5.04 105.19 106.28 1vbc n GLY 9 Ca 0.13 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.60 1vbc n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vbc n SER 10 N 0.03 2.16 -0.22 1.61 7.64 -0.81 -2.38 113.62 121.65 1vbc n SER 10 Ca 0.00 1.09 -0.03 0.00 1.01 0.00 0.00 58.87 60.94 1vbc n SER 10 Cb 0.00 -1.17 -0.01 0.00 -1.01 0.00 0.00 64.21 62.02 1vbc n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vbc n ASN 11 N 4.36 -3.77 -4.90 6.43 3.02 -1.26 -5.06 115.26 114.08 1vbc n ASN 11 Ca 0.23 0.07 -0.28 0.00 -0.03 0.00 0.00 54.58 54.57 1vbc n ASN 11 Cb 0.16 -1.52 0.01 0.00 -0.61 0.00 0.00 39.78 37.81 1vbc n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vbc s GLN 12 N -1.50 3.48 -0.27 3.52 -2.07 -1.00 -5.07 119.66 116.75 1vbc s GLN 12 Ca 0.00 0.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.88 1vbc s GLN 12 Cb 0.00 -2.28 0.06 0.00 -1.09 0.00 0.00 33.01 29.69 1vbc s GLN 12 CO 0.00 -0.37 -0.09 -0.47 -1.32 0.00 0.00 175.29 173.05 1vbc s TYR 13 N -2.89 3.25 -0.41 9.60 5.04 -1.26 -5.08 117.35 125.59 1vbc s TYR 13 Ca 0.50 -2.18 -0.16 0.00 -2.44 0.00 0.00 57.07 52.79 1vbc s TYR 13 Cb -0.11 -1.97 0.02 0.00 0.35 0.00 0.00 41.96 40.25 1vbc s TYR 13 CO 0.47 -0.86 0.36 -1.17 -1.34 0.00 0.00 175.55 173.02 1vbc s LEU 14 N 1.15 4.92 0.40 6.97 2.96 -1.26 -4.98 118.68 128.84 1vbc s LEU 14 Ca -0.07 -0.73 0.25 0.00 -0.22 0.00 0.00 54.13 53.36 1vbc s LEU 14 Cb -0.20 -2.27 1.40 0.00 0.50 0.00 0.00 46.19 45.63 1vbc s LEU 14 CO -0.04 -0.49 1.58 0.74 -1.32 0.00 0.00 176.35 176.82 1vbc h THR 15 N 5.66 0.01 0.00 3.68 2.02 -2.08 -0.32 112.91 121.88 1vbc h THR 15 Ca -0.27 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1vbc h THR 15 Cb 1.12 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1vbc h THR 15 CO 0.75 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 175.44 1vbc n SER 16 N -5.05 0.00 -4.86 4.18 7.64 -1.26 -4.98 113.62 109.28 1vbc n SER 16 Ca 0.39 -1.25 -0.30 0.00 1.01 0.00 0.00 58.87 58.72 1vbc n SER 16 Cb 1.40 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.65 1vbc n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1vbc s ASP 17 N -1.74 5.25 -0.52 6.43 -4.77 -0.13 -5.06 116.67 116.12 1vbc s ASP 17 Ca 0.35 1.19 0.04 0.00 -3.30 0.00 0.00 52.55 50.82 1vbc s ASP 17 Cb 0.16 -1.98 0.15 0.00 -1.09 0.00 0.00 42.92 40.16 1vbc s ASP 17 CO 0.27 -1.48 0.33 0.21 0.70 0.00 0.00 175.17 175.20 1vbc s ASN 18 N -4.24 3.78 0.12 2.11 3.84 -1.26 -5.11 114.94 114.18 1vbc s ASN 18 Ca 0.59 -3.11 0.05 0.00 0.21 0.00 0.00 52.86 50.60 1vbc s ASN 18 Cb -0.12 -1.22 -0.04 0.00 -0.55 0.00 0.00 41.25 39.32 1vbc s ASN 18 CO 0.52 -0.19 -0.12 -1.00 -2.79 0.00 0.00 177.10 173.52 1vbc s HIS 19 N -0.32 1.25 0.77 0.43 3.76 -1.26 -5.15 115.29 114.77 1vbc s HIS 19 Ca 0.22 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1vbc s HIS 19 Cb -0.15 -0.65 0.05 0.00 1.11 0.00 0.00 32.58 32.94 1vbc s HIS 19 CO -0.07 0.08 1.08 -0.65 -0.85 0.00 0.00 174.74 174.33 1vbc s GLN 20 N -3.03 2.30 -0.04 1.40 -0.21 -1.26 -5.10 119.66 113.72 1vbc s GLN 20 Ca 0.10 0.93 -0.29 0.00 0.02 0.00 0.00 55.36 56.12 1vbc s GLN 20 Cb -0.02 -1.92 0.10 0.00 1.00 0.00 0.00 33.01 32.17 1vbc s GLN 20 CO 0.01 -1.54 0.82 -1.54 -2.12 0.00 0.00 175.29 170.92 1vbc s SER 21 N -3.64 -0.48 0.27 5.90 1.04 -1.26 -5.15 113.70 110.38 1vbc s SER 21 Ca 0.60 0.31 -0.30 0.00 0.48 0.00 0.00 55.95 57.04 1vbc s SER 21 Cb -0.16 0.44 -0.12 0.00 0.10 0.00 0.00 66.02 66.28 1vbc s SER 21 CO 0.55 -0.59 1.54 -0.81 0.98 0.00 0.00 173.24 174.91 1vbc n PRO 22 N 0.33 2.48 -2.44 4.02 -0.04 -1.26 -4.94 135.00 133.16 1vbc n PRO 22 Ca -0.13 0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 63.78 1vbc n PRO 22 Cb 0.60 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1vbc n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vbc h ALA 24 N 9.24 1.68 -3.12 0.00 0.00 -2.09 -3.32 119.26 121.65 1vbc h ALA 24 Ca -0.26 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.02 1vbc h ALA 24 Cb 1.09 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.47 1vbc h ALA 24 CO 1.04 0.02 -0.68 0.42 0.00 0.00 0.00 179.25 180.05 1vbc s ILE 25 N -4.75 2.12 0.48 0.00 1.01 -1.26 -5.11 121.20 113.68 1vbc s ILE 25 Ca -0.05 -3.24 -0.24 0.00 0.00 0.00 0.00 60.65 57.12 1vbc s ILE 25 Cb 0.16 -2.45 -0.07 0.00 0.01 0.00 0.00 42.46 40.10 1vbc s ILE 25 CO 0.60 -0.91 1.36 -2.65 0.00 0.00 0.00 174.94 173.35 1vbc n PRO 26 N 2.98 1.97 -1.37 2.79 -0.02 -1.25 -3.51 135.00 136.60 1vbc n PRO 26 Ca 0.11 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1vbc n PRO 26 Cb 0.35 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 1vbc n PRO 26 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1vbc n GLU 27 N -0.42 -1.28 -1.67 -0.52 -0.58 -1.26 -4.92 120.64 109.99 1vbc n GLU 27 Ca 0.07 0.72 -0.49 0.00 -0.42 0.00 0.00 57.16 57.04 1vbc n GLU 27 Cb 0.42 -4.95 -0.05 0.00 -0.57 0.00 0.00 31.44 26.30 1vbc n GLU 27 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1vbc n PHE 28 N -1.83 2.16 -2.33 -0.32 -0.00 -1.23 -4.89 117.46 109.03 1vbc n PHE 28 Ca -0.12 0.26 -0.38 0.00 -0.00 0.00 0.00 57.45 57.21 1vbc n PHE 28 Cb 0.40 -2.54 -0.03 0.00 -0.00 0.00 0.00 39.48 37.30 1vbc n PHE 28 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1vbc s ASP 29 N 2.10 5.82 0.20 -2.13 2.15 -1.26 -4.97 116.67 118.58 1vbc s ASP 29 Ca 0.86 -0.50 -0.31 0.00 0.43 0.00 0.00 52.55 53.04 1vbc s ASP 29 Cb -0.76 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 39.21 1vbc s ASP 29 CO 0.46 -2.07 1.46 -0.69 -0.17 0.00 0.00 175.17 174.16 1vbc s VAL 30 N 7.24 2.77 0.11 1.11 1.01 -1.26 -4.99 120.40 126.40 1vbc s VAL 30 Ca 0.52 0.60 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 1vbc s VAL 30 Cb -0.07 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1vbc s VAL 30 CO 0.08 0.07 1.56 -0.89 0.00 0.00 0.00 175.10 175.92 1vbc s THR 31 N 0.50 2.93 0.73 3.92 2.01 -1.26 -4.99 115.64 119.49 1vbc s THR 31 Ca 0.63 0.58 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 1vbc s THR 31 Cb -0.41 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1vbc s THR 31 CO 0.37 0.03 1.22 -2.16 -0.69 0.00 0.00 174.62 173.39 1vbc s PRO 32 N 1.71 2.09 0.40 4.92 0.04 -1.26 -5.01 135.00 137.89 1vbc s PRO 32 Ca 0.70 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 1vbc s PRO 32 Cb -0.41 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1vbc s PRO 32 CO 0.31 -1.88 1.40 -1.25 0.04 0.00 0.00 177.00 175.62 1vbc s PRO 33 N -3.88 3.99 0.19 0.56 0.04 -1.26 -5.07 135.00 129.56 1vbc s PRO 33 Ca 0.75 2.39 0.07 0.00 0.04 0.00 0.00 61.00 64.25 1vbc s PRO 33 Cb -0.30 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1vbc s PRO 33 CO 0.46 -0.56 0.03 0.96 0.04 0.00 0.00 177.00 177.93 1vbc s ILE 34 N -1.18 3.86 -0.95 0.56 -4.36 -1.26 -5.05 121.20 112.82 1vbc s ILE 34 Ca 0.56 -1.42 -0.24 0.00 -0.26 0.00 0.00 60.65 59.29 1vbc s ILE 34 Cb -0.43 -2.97 -0.03 0.00 1.25 0.00 0.00 42.46 40.28 1vbc s ILE 34 CO 0.57 -0.15 1.87 -0.62 0.24 0.00 0.00 174.94 176.84 1vbc s ASP 35 N -3.10 5.37 0.05 4.36 2.15 -1.26 -4.96 116.67 119.28 1vbc s ASP 35 Ca 0.29 -0.91 -0.29 0.00 0.43 0.00 0.00 52.55 52.07 1vbc s ASP 35 Cb -0.09 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.92 1vbc s ASP 35 CO 0.20 -2.56 0.91 -0.63 -0.17 0.00 0.00 175.17 172.92 1vbc s ILE 36 N 9.29 4.71 0.63 4.11 1.01 -1.26 -5.06 121.20 134.63 1vbc s ILE 36 Ca 0.66 1.94 -0.17 0.00 0.00 0.00 0.00 60.65 63.08 1vbc s ILE 36 Cb -0.05 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1vbc s ILE 36 CO -0.01 0.27 1.17 -2.16 0.00 0.00 0.00 174.94 174.21 1vbc s PRO 37 N 0.39 2.80 0.00 2.79 0.05 -1.26 -4.31 135.00 135.46 1vbc s PRO 37 Ca 0.46 1.67 0.00 0.00 0.05 0.00 0.00 61.00 63.19 1vbc s PRO 37 Cb -0.22 -1.92 0.00 0.00 0.05 0.00 0.00 34.50 32.41 1vbc s PRO 37 CO 0.27 -1.30 0.00 0.41 0.05 0.00 0.00 177.00 176.43 1vbc n GLY 38 N 0.18 0.79 3.76 0.56 0.00 -1.26 -5.06 105.19 104.16 1vbc n GLY 38 Ca 0.12 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1vbc n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vbc s GLU 39 N -1.63 4.45 -0.09 1.61 2.12 -1.26 -5.04 118.70 118.86 1vbc s GLU 39 Ca 0.00 2.04 0.01 0.00 0.36 0.00 0.00 54.97 57.38 1vbc s GLU 39 Cb 0.00 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 1vbc s GLU 39 CO 0.00 -0.09 -0.09 0.08 -0.54 0.00 0.00 175.26 174.62 1vbc s VAL 40 N -0.76 3.49 -0.07 3.70 1.01 -1.26 -5.02 120.40 121.50 1vbc s VAL 40 Ca 0.50 -0.54 0.13 0.00 0.00 0.00 0.00 61.98 62.07 1vbc s VAL 40 Cb -0.36 -2.44 -0.20 0.00 0.00 0.00 0.00 36.38 33.38 1vbc s VAL 40 CO 0.45 0.57 0.20 0.29 0.00 0.00 0.00 175.10 176.61 1vbc n LYS 41 N 2.62 1.02 -3.73 2.72 4.76 -1.26 -5.01 118.16 119.27 1vbc n LYS 41 Ca -0.18 -0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.06 1vbc n LYS 41 Cb 0.53 -1.34 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 1vbc n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1vbc s ASN 42 N -4.07 -0.26 0.56 4.39 3.84 -1.26 -5.05 114.94 113.09 1vbc s ASN 42 Ca -0.06 0.51 0.27 0.00 0.21 0.00 0.00 52.86 53.80 1vbc s ASN 42 Cb 0.07 0.41 1.47 0.00 -0.55 0.00 0.00 41.25 42.65 1vbc s ASN 42 CO 0.58 -0.16 1.98 0.24 -2.79 0.00 0.00 177.10 176.95 1vbc h MET 43 N 7.06 0.00 0.00 0.43 2.86 -2.03 0.15 114.93 123.40 1vbc h MET 43 Ca -0.39 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1vbc h MET 43 Cb 1.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1vbc h MET 43 CO 0.38 0.00 -0.06 0.52 1.06 0.00 0.00 176.91 178.80 1vbc h MET 44 N 0.00 0.00 -0.99 1.72 2.86 -1.96 -1.32 114.93 115.23 1vbc h MET 44 Ca 0.22 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.04 1vbc h MET 44 Cb 1.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.57 1vbc h MET 44 CO -0.00 0.06 0.62 0.93 1.06 0.00 0.00 176.91 179.58 1vbc h GLU 45 N 0.00 0.74 -0.12 1.72 5.08 -1.39 -1.52 114.58 119.09 1vbc h GLU 45 Ca -0.00 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1vbc h GLU 45 Cb 0.21 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1vbc h GLU 45 CO 0.01 0.49 -0.82 -0.07 -1.00 0.00 0.00 179.01 177.62 1vbc h LEU 46 N 0.76 0.88 -0.96 1.33 3.38 -1.42 -2.94 115.31 116.34 1vbc h LEU 46 Ca 0.56 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1vbc h LEU 46 Cb 0.87 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1vbc h LEU 46 CO -0.34 1.40 0.00 0.00 0.09 0.00 0.00 178.44 179.59 1vbc h ALA 47 N 0.58 1.00 0.00 1.53 0.00 -1.38 -2.10 119.26 118.88 1vbc h ALA 47 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vbc h ALA 47 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1vbc h ALA 47 CO 0.16 0.00 -0.20 0.39 0.00 0.00 0.00 179.25 179.60 1vbc n GLU 48 N -2.50 0.19 -2.79 0.00 1.02 -0.62 -1.13 120.64 114.81 1vbc n GLU 48 Ca 0.02 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1vbc n GLU 48 Cb 0.25 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1vbc n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vbc s ILE 49 N -3.09 4.90 0.19 -3.67 1.01 -0.79 -4.51 121.20 115.24 1vbc s ILE 49 Ca 0.10 1.89 -0.33 0.00 0.00 0.00 0.00 60.65 62.31 1vbc s ILE 49 Cb 0.14 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.24 1vbc s ILE 49 CO 0.62 0.15 1.61 0.47 0.00 0.00 0.00 174.94 177.79 1vbc n ASP 50 N 4.15 3.36 -4.10 3.58 8.00 -1.26 -4.66 116.55 125.61 1vbc n ASP 50 Ca 0.05 1.08 -0.16 0.00 0.71 0.00 0.00 54.79 56.47 1vbc n ASP 50 Cb 0.51 -1.48 -0.12 0.00 -0.02 0.00 0.00 41.12 40.01 1vbc n ASP 50 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1vbc s THR 51 N 0.88 0.80 0.03 -3.53 -4.23 -0.95 -4.93 115.64 103.72 1vbc s THR 51 Ca 0.76 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 1vbc s THR 51 Cb -0.62 -0.80 -0.07 0.00 1.34 0.00 0.00 72.50 72.36 1vbc s THR 51 CO 0.37 -0.25 1.48 -0.04 -0.54 0.00 0.00 174.62 175.65 1vbc s MET 52 N -1.48 4.26 -0.07 3.99 -1.94 -1.26 -1.62 119.30 121.18 1vbc s MET 52 Ca -0.05 2.09 -0.30 0.00 -1.71 0.00 0.00 55.69 55.72 1vbc s MET 52 Cb -0.09 -3.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.17 1vbc s MET 52 CO 0.01 -0.62 1.00 0.42 -0.01 0.00 0.00 175.02 175.82 1vbc s ILE 53 N 2.38 4.81 -0.92 2.53 1.01 -0.19 -4.86 121.20 125.96 1vbc s ILE 53 Ca 0.67 2.04 -0.13 0.00 0.00 0.00 0.00 60.65 63.24 1vbc s ILE 53 Cb -0.34 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 37.73 1vbc s ILE 53 CO 0.29 0.06 2.08 -0.81 0.00 0.00 0.00 174.94 176.56 1vbc n PRO 54 N 4.60 1.98 0.24 2.79 -0.04 -1.25 -4.56 135.00 138.76 1vbc n PRO 54 Ca 0.08 -1.71 0.16 0.00 -0.04 0.00 0.00 63.50 61.99 1vbc n PRO 54 Cb 0.50 -2.70 0.84 0.00 -0.04 0.00 0.00 33.50 32.10 1vbc n PRO 54 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vbc h LEU 55 N 10.46 0.00 -7.23 1.53 3.38 -1.66 -3.37 115.31 118.42 1vbc h LEU 55 Ca 0.49 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.83 1vbc h LEU 55 Cb 0.39 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.73 1vbc h LEU 55 CO 1.69 0.00 -0.65 0.21 0.09 0.00 0.00 178.44 179.77 1vbc s ASN 56 N -4.47 4.18 -0.51 -0.43 2.47 0.37 -4.94 114.94 111.60 1vbc s ASN 56 Ca -0.03 -3.06 0.02 0.00 0.42 0.00 0.00 52.86 50.21 1vbc s ASN 56 Cb 0.09 -1.48 0.60 0.00 -1.45 0.00 0.00 41.25 39.02 1vbc s ASN 56 CO 0.28 -0.22 1.94 0.18 -3.72 0.00 0.00 177.10 175.57 1vbc n LEU 57 N 3.03 6.98 -4.75 3.21 4.77 -1.26 -3.92 117.00 125.06 1vbc n LEU 57 Ca 0.09 -3.82 -0.37 0.00 -0.03 0.00 0.00 56.01 51.88 1vbc n LEU 57 Cb 0.33 -0.88 0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1vbc n LEU 57 CO 0.30 1.18 0.89 -1.61 -1.33 0.00 0.00 177.39 176.82 1vbc s GLU 58 N -3.46 3.06 0.00 3.23 0.41 -1.26 -4.42 118.70 116.27 1vbc s GLU 58 Ca 0.59 1.98 0.00 0.00 -0.41 0.00 0.00 54.97 57.13 1vbc s GLU 58 Cb 0.49 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 1vbc s GLU 58 CO 0.07 -1.17 0.00 0.45 -0.49 0.00 0.00 175.26 174.12 1vbc n SER 59 N -1.32 0.00 0.07 -0.19 2.88 -1.26 -0.23 113.62 113.58 1vbc n SER 59 Ca 0.12 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1vbc n SER 59 Cb 0.48 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.12 1vbc n SER 59 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1vbc h THR 60 N 0.00 0.00 0.13 2.46 1.35 -1.98 -3.36 112.91 111.51 1vbc h THR 60 Ca 0.00 -0.55 -0.33 0.00 -0.55 0.00 0.00 66.41 64.98 1vbc h THR 60 Cb 0.00 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1vbc h THR 60 CO 0.00 0.00 -1.71 0.11 -0.25 0.00 0.00 175.52 173.67 1vbc h LYS 61 N 0.00 0.28 -7.12 4.72 6.56 -0.90 -3.47 116.57 116.64 1vbc h LYS 61 Ca 0.00 -0.47 -0.55 0.00 -1.06 0.00 0.00 60.65 58.57 1vbc h LYS 61 Cb 0.77 0.18 0.16 0.00 -0.57 0.00 0.00 32.23 32.76 1vbc h LYS 61 CO 0.00 1.14 0.48 -0.98 -2.06 0.00 0.00 179.45 178.03 1vbc s ARG 62 N -2.59 2.46 -1.40 3.15 1.70 -0.59 -2.73 118.95 118.96 1vbc s ARG 62 Ca -0.13 1.98 -0.09 0.00 -0.47 0.00 0.00 55.73 57.02 1vbc s ARG 62 Cb 0.06 -1.85 0.05 0.00 -0.57 0.00 0.00 34.95 32.65 1vbc s ARG 62 CO 0.83 -1.65 0.59 0.09 -1.08 0.00 0.00 175.30 174.09 1vbc n ASN 63 N -2.10 -4.58 -4.03 -2.89 3.02 -1.26 -4.95 115.26 98.47 1vbc n ASN 63 Ca 0.15 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 54.20 1vbc n ASN 63 Cb 0.49 -3.74 -0.08 0.00 -0.61 0.00 0.00 39.78 35.84 1vbc n ASN 63 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vbc s THR 64 N -3.05 0.08 0.50 3.41 -1.32 -1.20 -5.05 115.64 109.01 1vbc s THR 64 Ca 0.41 -1.58 0.30 0.00 -1.21 0.00 0.00 61.69 59.60 1vbc s THR 64 Cb -0.20 -1.91 0.34 0.00 -1.51 0.00 0.00 72.50 69.21 1vbc s THR 64 CO 0.50 -0.36 2.18 0.24 -2.21 0.00 0.00 174.62 174.96 1vbc h MET 65 N 2.67 0.00 0.00 7.08 2.86 -1.93 -2.68 114.93 122.93 1vbc h MET 65 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1vbc h MET 65 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1vbc h MET 65 CO 0.52 0.06 0.00 -0.44 1.06 0.00 0.00 176.91 178.11 1vbc h ASP 66 N 0.00 0.00 0.04 1.22 3.32 -1.96 -2.94 116.42 116.10 1vbc h ASP 66 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vbc h ASP 66 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1vbc h ASP 66 CO 0.01 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1vbc h MET 67 N 0.00 0.00 -0.01 3.56 -0.00 -1.27 -1.65 114.93 115.56 1vbc h MET 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1vbc h MET 67 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1vbc h MET 67 CO 0.00 0.00 -0.33 0.66 -0.00 0.00 0.00 176.91 177.24 1vbc n TYR 68 N -3.34 0.00 -3.61 -0.10 4.01 -1.11 -0.48 117.16 112.53 1vbc n TYR 68 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1vbc n TYR 68 Cb 0.08 -0.15 -0.11 0.00 -0.31 0.00 0.00 39.34 38.85 1vbc n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vbc s ARG 69 N -2.64 2.69 -0.24 -0.72 0.52 -0.62 -4.43 118.95 113.51 1vbc s ARG 69 Ca 0.20 -1.28 -0.16 0.00 -0.52 0.00 0.00 55.73 53.97 1vbc s ARG 69 Cb 0.19 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1vbc s ARG 69 CO 0.57 -0.83 0.41 0.08 0.02 0.00 0.00 175.30 175.55 1vbc s VAL 70 N 1.47 5.17 -0.20 3.52 1.01 -0.42 -4.82 120.40 126.14 1vbc s VAL 70 Ca 0.02 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1vbc s VAL 70 Cb -0.21 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1vbc s VAL 70 CO 0.04 0.19 1.04 -0.89 0.00 0.00 0.00 175.10 175.47 1vbc s THR 71 N 1.78 4.69 0.05 3.92 2.01 -1.26 -0.36 115.64 126.48 1vbc s THR 71 Ca 0.18 2.02 0.01 0.00 0.31 0.00 0.00 61.69 64.21 1vbc s THR 71 Cb -0.15 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1vbc s THR 71 CO 0.09 -0.13 0.11 -0.76 -0.69 0.00 0.00 174.62 173.24 1vbc s LEU 72 N 2.91 3.97 -0.06 4.42 1.43 0.26 -4.98 118.68 126.63 1vbc s LEU 72 Ca 0.45 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.44 1vbc s LEU 72 Cb -0.16 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.57 1vbc s LEU 72 CO 0.09 0.20 0.49 -0.94 0.23 0.00 0.00 176.35 176.42 1vbc s SER 73 N -2.22 -0.43 0.00 2.29 1.04 -1.26 -1.53 113.70 111.58 1vbc s SER 73 Ca 0.29 0.50 0.10 0.00 0.48 0.00 0.00 55.95 57.31 1vbc s SER 73 Cb -0.12 0.53 0.44 0.00 0.10 0.00 0.00 66.02 66.97 1vbc s SER 73 CO 0.21 -0.46 1.27 -0.90 0.98 0.00 0.00 173.24 174.34 1vbc n ASP 74 N 1.40 0.00 -0.30 7.02 5.75 -0.44 -1.98 116.55 128.00 1vbc n ASP 74 Ca -0.19 0.38 0.05 0.00 -0.01 0.00 0.00 54.79 55.02 1vbc n ASP 74 Cb 0.56 -0.43 0.11 0.00 -1.03 0.00 0.00 41.12 40.34 1vbc n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1vbc n SER 75 N -1.43 2.60 -4.73 -1.12 3.41 -1.26 -4.78 113.62 106.31 1vbc n SER 75 Ca 0.03 -2.43 -0.35 0.00 -0.26 0.00 0.00 58.87 55.85 1vbc n SER 75 Cb 0.10 -0.25 0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1vbc n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vbc s ALA 76 N -1.76 2.32 -0.39 7.33 0.00 -0.84 -4.92 121.76 123.49 1vbc s ALA 76 Ca 0.20 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 1vbc s ALA 76 Cb 0.15 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1vbc s ALA 76 CO 0.06 -1.58 1.75 0.34 0.00 0.00 0.00 175.76 176.32 1vbc s ASP 77 N -1.76 5.85 0.60 0.00 2.15 -1.26 -4.88 116.67 117.38 1vbc s ASP 77 Ca 0.77 1.06 0.31 0.00 0.43 0.00 0.00 52.55 55.12 1vbc s ASP 77 Cb -0.31 -2.53 1.86 0.00 -0.30 0.00 0.00 42.92 41.64 1vbc s ASP 77 CO 0.40 -1.78 2.25 -0.07 -0.17 0.00 0.00 175.17 175.80 1vbc h LEU 78 N 13.92 0.00 -1.05 -1.34 3.38 -1.95 -2.53 115.31 125.74 1vbc h LEU 78 Ca -0.31 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1vbc h LEU 78 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1vbc h LEU 78 CO 1.07 0.00 -0.38 0.77 0.09 0.00 0.00 178.44 180.00 1vbc h SER 79 N 0.00 0.18 -3.80 -0.43 4.64 -1.96 -3.43 113.55 108.75 1vbc h SER 79 Ca 0.01 -0.07 -0.49 0.00 -0.47 0.00 0.00 61.79 60.77 1vbc h SER 79 Cb 0.05 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vbc h SER 79 CO -0.00 0.55 0.17 -1.10 -0.87 0.00 0.00 176.83 175.58 1vbc s GLN 80 N -4.20 3.85 0.33 4.77 -1.52 -0.96 -4.60 119.66 117.34 1vbc s GLN 80 Ca -0.04 0.60 -0.29 0.00 -1.95 0.00 0.00 55.36 53.68 1vbc s GLN 80 Cb 0.14 -2.35 -0.11 0.00 -0.22 0.00 0.00 33.01 30.47 1vbc s GLN 80 CO 0.76 -0.05 1.50 -2.14 -0.25 0.00 0.00 175.29 175.11 1vbc s PRO 81 N -3.74 4.15 0.05 2.91 0.01 -1.26 -4.68 135.00 132.43 1vbc s PRO 81 Ca 0.53 2.52 -0.18 0.00 0.01 0.00 0.00 61.00 63.88 1vbc s PRO 81 Cb -0.10 -3.01 -0.14 0.00 0.01 0.00 0.00 34.50 31.26 1vbc s PRO 81 CO 0.29 -0.53 1.31 0.82 0.01 0.00 0.00 177.00 178.90 1vbc h ILE 82 N 3.16 1.35 -2.57 2.83 2.04 -1.29 -3.47 117.51 119.57 1vbc h ILE 82 Ca -0.49 -1.54 -0.06 0.00 1.00 0.00 0.00 64.86 63.77 1vbc h ILE 82 Cb 1.23 1.95 -0.17 0.00 -0.74 0.00 0.00 36.82 39.09 1vbc h ILE 82 CO 0.70 0.46 0.07 -1.48 0.00 0.00 0.00 178.15 177.90 1vbc s LEU 83 N -8.88 -0.20 0.01 1.44 0.05 -1.25 -5.01 118.68 104.84 1vbc s LEU 83 Ca -0.13 0.33 0.03 0.00 0.05 0.00 0.00 54.13 54.40 1vbc s LEU 83 Cb 0.06 2.21 -0.01 0.00 -2.05 0.00 0.00 46.19 46.39 1vbc s LEU 83 CO 0.79 -0.67 -0.09 0.00 -0.55 0.00 0.00 176.35 175.83 1vbc s LEU 85 N -0.66 -0.31 0.06 0.00 0.20 0.33 -5.00 118.68 113.30 1vbc s LEU 85 Ca 0.00 0.94 -0.24 0.00 0.69 0.00 0.00 54.13 55.53 1vbc s LEU 85 Cb -0.05 2.15 -0.06 0.00 -0.43 0.00 0.00 46.19 47.80 1vbc s LEU 85 CO 0.00 -0.37 0.71 -0.44 -0.29 0.00 0.00 176.35 175.97 1vbc s SER 86 N -0.35 7.19 -1.15 3.68 0.01 -1.26 -0.35 113.70 121.46 1vbc s SER 86 Ca -0.05 1.41 -0.19 0.00 1.31 0.00 0.00 55.95 58.44 1vbc s SER 86 Cb -0.03 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1vbc s SER 86 CO 0.04 0.10 2.00 -0.11 0.41 0.00 0.00 173.24 175.69 1vbc n LEU 87 N 2.41 5.04 -3.50 2.44 7.94 -0.14 -4.71 117.00 126.48 1vbc n LEU 87 Ca -0.05 -3.53 -0.27 0.00 -1.11 0.00 0.00 56.01 51.06 1vbc n LEU 87 Cb 0.50 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.86 1vbc n LEU 87 CO 0.46 0.02 -0.12 -1.20 -1.11 0.00 0.00 177.39 175.43 1vbc n SER 88 N 8.14 1.83 -0.09 1.96 7.64 -1.26 -3.74 113.62 128.09 1vbc n SER 88 Ca 0.50 -2.98 0.26 0.00 1.01 0.00 0.00 58.87 57.65 1vbc n SER 88 Cb 0.42 -0.66 0.72 0.00 -1.01 0.00 0.00 64.21 63.67 1vbc n SER 88 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1vbc h PRO 89 N 4.79 0.00 0.00 1.43 0.10 -1.89 -0.46 132.00 135.97 1vbc h PRO 89 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.27 1vbc h PRO 89 Cb 0.79 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.89 1vbc h PRO 89 CO 0.62 0.00 -1.83 0.00 0.10 0.00 0.00 178.00 176.89 1vbc n ALA 90 N -2.60 2.93 -0.11 -0.75 0.00 -1.26 -3.61 120.51 115.11 1vbc n ALA 90 Ca 0.15 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 1vbc n ALA 90 Cb 0.85 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1vbc n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vbc n PHE 91 N -2.13 0.00 -1.70 0.00 7.35 -0.38 -4.37 117.46 116.23 1vbc n PHE 91 Ca -0.03 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.23 1vbc n PHE 91 Cb 0.51 -0.80 -0.03 0.00 0.35 0.00 0.00 39.48 39.50 1vbc n PHE 91 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1vbc n ASP 92 N -3.43 3.81 -0.32 -2.13 -0.08 -0.32 -4.69 116.55 109.38 1vbc n ASP 92 Ca -0.40 1.05 0.10 0.00 -1.51 0.00 0.00 54.79 54.03 1vbc n ASP 92 Cb 0.86 -1.53 0.31 0.00 2.34 0.00 0.00 41.12 43.10 1vbc n ASP 92 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1vbc h PRO 93 N 6.98 0.82 -0.03 -0.67 0.13 -1.93 0.25 132.00 137.55 1vbc h PRO 93 Ca -0.44 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1vbc h PRO 93 Cb 1.22 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1vbc h PRO 93 CO 0.94 0.54 -0.21 0.00 -0.23 0.00 0.00 178.00 179.04 1vbc h ARG 94 N 0.85 0.05 0.01 0.86 3.08 -1.90 -3.25 114.38 114.08 1vbc h ARG 94 Ca 0.48 -0.01 -0.37 0.00 0.07 0.00 0.00 59.98 60.14 1vbc h ARG 94 Cb 0.61 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 1vbc h ARG 94 CO -0.24 0.26 -2.37 1.28 -1.07 0.00 0.00 179.97 177.83 1vbc n LEU 95 N -4.27 1.49 -0.24 3.04 4.77 -0.16 -3.78 117.00 117.85 1vbc n LEU 95 Ca -0.02 -0.03 0.31 0.00 -0.03 0.00 0.00 56.01 56.25 1vbc n LEU 95 Cb 0.28 -0.22 0.74 0.00 -2.33 0.00 0.00 43.42 41.89 1vbc n LEU 95 CO 0.37 0.70 1.29 0.77 -1.33 0.00 0.00 177.39 179.19 1vbc h SER 96 N 0.00 0.00 -0.17 -1.43 4.64 -0.62 -1.82 113.55 114.15 1vbc h SER 96 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1vbc h SER 96 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1vbc h SER 96 CO -0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.35 1vbc n HIS 97 N -4.22 0.20 -1.15 4.77 8.25 -1.26 -3.38 115.22 118.43 1vbc n HIS 97 Ca 0.21 -0.14 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 1vbc n HIS 97 Cb 1.08 -0.00 0.15 0.00 1.12 0.00 0.00 29.99 32.33 1vbc n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vbc s THR 98 N -1.31 2.55 0.26 1.59 -4.23 -0.68 -4.69 115.64 109.13 1vbc s THR 98 Ca 0.25 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1vbc s THR 98 Cb 0.16 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.63 1vbc s THR 98 CO 0.22 -0.23 1.87 -0.03 -0.54 0.00 0.00 174.62 175.91 1vbc h MET 99 N -1.64 1.11 0.39 3.99 1.85 -1.92 0.13 114.93 118.84 1vbc h MET 99 Ca -0.50 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 58.52 1vbc h MET 99 Cb 1.29 -0.25 -0.03 0.00 0.43 0.00 0.00 31.60 33.04 1vbc h MET 99 CO 0.54 0.73 -0.51 1.25 -0.40 0.00 0.00 176.91 178.53 1vbc h LEU 100 N 1.14 -1.43 -1.23 3.39 5.85 -1.83 -1.93 115.31 119.27 1vbc h LEU 100 Ca 0.43 0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.29 1vbc h LEU 100 Cb 0.19 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1vbc h LEU 100 CO -0.18 -0.63 0.52 1.23 -0.34 0.00 0.00 178.44 179.04 1vbc h GLY 101 N -0.93 1.11 1.39 3.75 0.00 -1.57 -2.26 103.07 104.56 1vbc h GLY 101 Ca -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1vbc h GLY 101 CO -0.13 0.40 -0.01 0.83 0.00 0.00 0.00 176.54 177.63 1vbc h GLU 102 N 1.06 0.74 -0.20 4.80 4.39 -0.46 -1.46 114.58 123.45 1vbc h GLU 102 Ca 0.29 -0.20 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 1vbc h GLU 102 Cb -0.10 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1vbc h GLU 102 CO -0.07 0.76 -0.50 0.28 -1.16 0.00 0.00 179.01 178.32 1vbc h VAL 103 N 0.70 1.31 -0.02 3.13 2.07 -1.07 -3.17 116.25 119.20 1vbc h VAL 103 Ca 0.14 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 65.93 1vbc h VAL 103 Cb 0.44 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1vbc h VAL 103 CO 0.02 0.54 0.02 -0.07 0.02 0.00 0.00 177.57 178.10 1vbc h LEU 104 N 0.39 0.00 0.00 2.57 4.07 -1.18 -1.21 115.31 119.96 1vbc h LEU 104 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1vbc h LEU 104 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1vbc h LEU 104 CO 0.11 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 178.06 1vbc n ASN 105 N -3.86 0.00 -1.18 -0.43 3.02 -0.57 -2.13 115.26 110.10 1vbc n ASN 105 Ca -0.03 -0.56 0.12 0.00 -0.03 0.00 0.00 54.58 54.08 1vbc n ASN 105 Cb 0.11 -0.09 0.22 0.00 -0.61 0.00 0.00 39.78 39.41 1vbc n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vbc n TYR 106 N -1.09 0.55 -4.15 3.10 4.01 -0.46 -3.57 117.16 115.55 1vbc n TYR 106 Ca 0.17 -0.28 -0.17 0.00 -0.16 0.00 0.00 57.90 57.46 1vbc n TYR 106 Cb 0.12 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 1vbc n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1vbc s TYR 107 N -1.43 1.09 -0.12 -0.72 1.51 -0.91 0.10 117.35 116.87 1vbc s TYR 107 Ca 0.40 -0.49 0.15 0.00 -1.01 0.00 0.00 57.07 56.12 1vbc s TYR 107 Cb 0.23 -0.61 -0.06 0.00 -0.11 0.00 0.00 41.96 41.41 1vbc s TYR 107 CO 0.32 0.02 1.11 1.15 -1.11 0.00 0.00 175.55 177.04 1vbc h THR 108 N 4.23 0.73 -4.03 -0.71 2.02 0.53 -3.43 112.91 112.25 1vbc h THR 108 Ca -0.39 -2.19 -0.39 0.00 0.77 0.00 0.00 66.41 64.21 1vbc h THR 108 Cb 1.19 2.25 -0.28 0.00 -1.74 0.00 0.00 68.15 69.57 1vbc h THR 108 CO 0.42 0.42 -0.78 -1.00 0.37 0.00 0.00 175.52 174.95 1vbc s HIS 109 N -2.92 0.80 0.14 3.16 3.76 -0.47 -2.26 115.29 117.50 1vbc s HIS 109 Ca 0.00 -0.16 0.08 0.00 -0.15 0.00 0.00 55.06 54.83 1vbc s HIS 109 Cb 0.08 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1vbc s HIS 109 CO 0.78 -0.01 -0.18 1.67 -0.85 0.00 0.00 174.74 176.16 1vbc s TRP 110 N -0.25 1.70 -0.04 1.40 1.48 0.07 -1.06 118.94 122.25 1vbc s TRP 110 Ca 0.03 -0.48 -0.13 0.00 -1.06 0.00 0.00 56.10 54.46 1vbc s TRP 110 Cb -0.04 -0.87 0.02 0.00 -1.16 0.00 0.00 33.47 31.42 1vbc s TRP 110 CO -0.00 0.26 0.29 0.00 -4.06 0.00 0.00 176.95 173.44 1vbc s ALA 111 N -1.91 -0.74 0.00 2.67 0.00 -0.46 -0.61 121.76 120.71 1vbc s ALA 111 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1vbc s ALA 111 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1vbc s ALA 111 CO 0.05 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1vbc n GLY 112 N 1.71 0.94 3.79 0.00 0.00 -1.26 -0.55 105.19 109.83 1vbc n GLY 112 Ca -0.19 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.35 1vbc n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbc s SER 113 N -0.19 5.81 0.28 1.61 0.01 -1.26 -4.26 113.70 115.70 1vbc s SER 113 Ca 0.00 0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.59 1vbc s SER 113 Cb 0.00 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 1vbc s SER 113 CO 0.00 0.33 0.10 -0.76 0.41 0.00 0.00 173.24 173.32 1vbc s LEU 114 N -1.38 3.41 -0.08 2.44 1.43 -0.84 -0.57 118.68 123.08 1vbc s LEU 114 Ca 0.19 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1vbc s LEU 114 Cb -0.12 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1vbc s LEU 114 CO 0.09 -0.09 0.20 -1.59 0.23 0.00 0.00 176.35 175.19 1vbc s LYS 115 N -3.78 0.18 -0.31 1.70 -2.85 0.30 0.24 119.74 115.23 1vbc s LYS 115 Ca 0.34 0.40 -0.10 0.00 -1.00 0.00 0.00 55.97 55.60 1vbc s LYS 115 Cb -0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.63 1vbc s LYS 115 CO 0.22 -0.12 0.15 -0.06 0.10 0.00 0.00 175.35 175.64 1vbc s PHE 116 N 0.86 3.18 -0.21 1.78 0.40 0.07 -2.01 117.98 122.05 1vbc s PHE 116 Ca -0.06 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1vbc s PHE 116 Cb -0.08 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 1vbc s PHE 116 CO -0.05 -0.43 -0.01 0.99 0.70 0.00 0.00 175.22 176.42 1vbc s THR 117 N 1.62 3.72 -0.17 0.64 2.01 0.05 -0.54 115.64 122.97 1vbc s THR 117 Ca 0.05 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1vbc s THR 117 Cb -0.17 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1vbc s THR 117 CO 0.06 0.42 0.03 -0.36 -0.69 0.00 0.00 174.62 174.08 1vbc s PHE 118 N 1.25 3.17 -0.30 4.92 0.08 0.25 -0.43 117.98 126.94 1vbc s PHE 118 Ca 0.03 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 1vbc s PHE 118 Cb -0.15 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 1vbc s PHE 118 CO 0.00 0.11 0.13 -1.17 -0.10 0.00 0.00 175.22 174.18 1vbc s LEU 119 N 0.31 3.94 -0.40 -0.37 2.96 0.79 -1.41 118.68 124.50 1vbc s LEU 119 Ca 0.01 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 1vbc s LEU 119 Cb -0.13 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1vbc s LEU 119 CO 0.01 -0.16 1.20 0.12 -1.32 0.00 0.00 176.35 176.21 1vbc s PHE 120 N 1.61 2.79 -0.47 5.38 5.36 -0.88 -1.09 117.98 130.67 1vbc s PHE 120 Ca 0.05 0.84 0.03 0.00 -0.96 0.00 0.00 56.93 56.89 1vbc s PHE 120 Cb -0.17 -4.17 0.59 0.00 -0.34 0.00 0.00 43.02 38.94 1vbc s PHE 120 CO 0.05 -1.37 1.86 0.00 -1.46 0.00 0.00 175.22 174.30 1vbc s GLY 122 N -1.67 1.76 0.74 0.00 0.00 -1.26 -4.41 107.32 102.48 1vbc s GLY 122 Ca 0.57 -1.33 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 1vbc s GLY 122 CO 0.06 -0.66 1.07 -1.35 0.00 0.00 0.00 173.10 172.23 1vbc s SER 123 N -4.81 4.95 0.53 1.64 1.04 -1.26 -4.94 113.70 110.85 1vbc s SER 123 Ca 0.70 1.67 0.28 0.00 0.48 0.00 0.00 55.95 59.09 1vbc s SER 123 Cb -0.05 -2.47 1.48 0.00 0.10 0.00 0.00 66.02 65.08 1vbc s SER 123 CO 0.50 -1.73 2.08 -0.03 0.98 0.00 0.00 173.24 175.04 1vbc h MET 124 N -0.92 0.00 0.00 4.02 4.05 -2.00 -2.10 114.93 117.99 1vbc h MET 124 Ca -0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1vbc h MET 124 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1vbc h MET 124 CO 0.55 0.11 0.00 -1.33 0.23 0.00 0.00 176.91 176.47 1vbc n MET 125 N -3.60 0.14 -3.11 0.39 2.81 -1.26 -4.80 117.12 107.70 1vbc n MET 125 Ca -0.02 0.06 -0.39 0.00 -1.81 0.00 0.00 57.70 55.54 1vbc n MET 125 Cb 0.23 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1vbc n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vbc s ALA 126 N -2.83 3.39 0.49 3.04 0.00 -0.79 -4.39 121.76 120.67 1vbc s ALA 126 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1vbc s ALA 126 Cb 0.17 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1vbc s ALA 126 CO 0.43 -0.13 0.22 0.95 0.00 0.00 0.00 175.76 177.23 1vbc s THR 127 N 0.88 1.72 0.00 0.00 -4.23 -0.35 -4.89 115.64 108.78 1vbc s THR 127 Ca 0.34 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1vbc s THR 127 Cb -0.17 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1vbc s THR 127 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1vbc n GLY 128 N -1.45 2.73 3.06 3.99 0.00 -1.26 -1.55 105.19 110.71 1vbc n GLY 128 Ca -0.06 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1vbc n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vbc s LYS 129 N -2.00 2.00 -0.03 1.61 1.02 -1.26 -0.89 119.74 120.19 1vbc s LYS 129 Ca 0.00 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.54 1vbc s LYS 129 Cb 0.00 -1.61 -0.01 0.00 -0.52 0.00 0.00 37.83 35.68 1vbc s LYS 129 CO 0.00 0.05 -0.22 0.42 -0.92 0.00 0.00 175.35 174.68 1vbc s ILE 130 N 0.63 1.76 -0.26 2.17 1.01 0.04 -0.13 121.20 126.42 1vbc s ILE 130 Ca -0.15 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 1vbc s ILE 130 Cb -0.16 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1vbc s ILE 130 CO 0.04 0.50 0.21 -0.22 0.00 0.00 0.00 174.94 175.47 1vbc s LEU 131 N -0.39 4.07 -0.08 2.97 0.20 0.63 -0.61 118.68 125.47 1vbc s LEU 131 Ca 0.05 0.12 0.05 0.00 0.69 0.00 0.00 54.13 55.03 1vbc s LEU 131 Cb -0.10 -2.18 -0.00 0.00 -0.43 0.00 0.00 46.19 43.48 1vbc s LEU 131 CO 0.00 -0.02 -0.24 0.54 -0.29 0.00 0.00 176.35 176.35 1vbc s VAL 132 N 1.46 2.01 0.11 1.68 0.11 -0.28 -0.56 120.40 124.94 1vbc s VAL 132 Ca 0.09 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1vbc s VAL 132 Cb -0.15 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1vbc s VAL 132 CO 0.08 0.55 -0.06 0.00 -3.33 0.00 0.00 175.10 172.34 1vbc s ALA 133 N 0.10 1.03 -0.08 1.54 0.00 0.59 -0.84 121.76 124.10 1vbc s ALA 133 Ca -0.11 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1vbc s ALA 133 Cb -0.16 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1vbc s ALA 133 CO 0.06 -0.24 -0.04 -0.47 0.00 0.00 0.00 175.76 175.07 1vbc s TYR 134 N -3.62 0.99 -0.35 0.00 5.04 0.60 -1.20 117.35 118.81 1vbc s TYR 134 Ca 0.13 -0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.28 1vbc s TYR 134 Cb 0.05 -0.94 0.02 0.00 0.35 0.00 0.00 41.96 41.44 1vbc s TYR 134 CO -0.04 -0.37 0.17 0.00 -1.34 0.00 0.00 175.55 173.97 1vbc s ALA 135 N 1.67 3.21 0.47 3.97 0.00 -0.02 -1.24 121.76 129.83 1vbc s ALA 135 Ca 0.02 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.11 1vbc s ALA 135 Cb -0.13 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 1vbc s ALA 135 CO -0.05 -1.26 0.90 -2.30 0.00 0.00 0.00 175.76 173.05 1vbc n PRO 136 N 4.95 1.09 -0.54 0.00 -0.02 -1.26 -0.77 135.00 138.45 1vbc n PRO 136 Ca -0.12 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1vbc n PRO 136 Cb 0.46 -1.97 0.26 0.00 -0.02 0.00 0.00 33.50 32.23 1vbc n PRO 136 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1vbc s PRO 137 N -2.11 -1.27 0.00 0.52 0.04 -1.26 -4.55 135.00 126.37 1vbc s PRO 137 Ca 0.66 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1vbc s PRO 137 Cb -0.52 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1vbc s PRO 137 CO 0.55 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 174.08 1vbc n GLY 138 N 0.83 1.99 2.61 0.56 0.00 -1.26 -5.02 105.19 104.91 1vbc n GLY 138 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1vbc n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vbc n ALA 139 N -0.34 0.50 -1.86 4.61 0.00 -1.26 -5.09 120.51 117.07 1vbc n ALA 139 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 53.44 51.47 1vbc n ALA 139 Cb 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1vbc n ALA 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1vbc s GLN 140 N -3.48 4.18 0.18 0.00 0.74 -1.26 -4.94 119.66 115.08 1vbc s GLN 140 Ca 0.15 2.43 -0.32 0.00 0.05 0.00 0.00 55.36 57.67 1vbc s GLN 140 Cb -0.01 -3.45 -0.12 0.00 1.10 0.00 0.00 33.01 30.53 1vbc s GLN 140 CO 0.10 -0.73 1.75 -0.35 -0.55 0.00 0.00 175.29 175.50 1vbc n PRO 141 N 5.10 2.73 -1.70 1.67 -0.05 -1.26 -4.85 135.00 136.65 1vbc n PRO 141 Ca 0.16 0.99 -0.42 0.00 -0.05 0.00 0.00 63.50 64.17 1vbc n PRO 141 Cb 0.39 -2.84 -0.03 0.00 -0.05 0.00 0.00 33.50 30.97 1vbc n PRO 141 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 175.50 173.15 1vbc n PRO 142 N 4.42 2.79 -0.00 0.54 -0.02 -1.26 -4.90 135.00 136.57 1vbc n PRO 142 Ca 0.17 1.01 0.07 0.00 -2.02 0.00 0.00 63.50 62.73 1vbc n PRO 142 Cb 0.35 -2.90 -0.09 0.00 -0.02 0.00 0.00 33.50 30.84 1vbc n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1vbc n THR 143 N 4.56 0.00 -4.26 3.45 -2.24 -1.26 -4.98 114.28 109.56 1vbc n THR 143 Ca 0.18 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 1vbc n THR 143 Cb 0.37 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 69.21 1vbc n THR 143 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vbc s SER 144 N -2.72 1.15 0.30 3.42 1.04 -1.26 -4.64 113.70 110.98 1vbc s SER 144 Ca 0.02 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.16 1vbc s SER 144 Cb 0.10 -0.07 0.71 0.00 0.10 0.00 0.00 66.02 66.86 1vbc s SER 144 CO 0.58 0.01 1.79 -0.09 0.98 0.00 0.00 173.24 176.50 1vbc h ARG 145 N 5.27 0.78 -0.65 4.02 2.43 -1.94 -1.04 114.38 123.26 1vbc h ARG 145 Ca -0.34 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 58.92 1vbc h ARG 145 Cb 1.19 -0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 30.46 1vbc h ARG 145 CO 0.46 0.52 0.06 -0.22 -1.51 0.00 0.00 179.97 179.28 1vbc h LYS 146 N 0.81 0.17 -0.15 0.20 1.63 -1.97 0.34 116.57 117.60 1vbc h LYS 146 Ca 0.57 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.24 1vbc h LYS 146 Cb 0.83 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1vbc h LYS 146 CO -0.36 0.11 -0.37 0.93 -3.45 0.00 0.00 179.45 176.31 1vbc h GLU 147 N 0.17 0.51 -0.66 1.90 5.08 -1.65 -3.29 114.58 116.64 1vbc h GLU 147 Ca 0.35 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1vbc h GLU 147 Cb 0.57 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1vbc h GLU 147 CO -0.51 0.97 0.44 0.00 -1.00 0.00 0.00 179.01 178.90 1vbc h ALA 148 N 0.54 1.63 -0.68 3.43 0.00 -0.76 -2.78 119.26 120.64 1vbc h ALA 148 Ca -0.00 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1vbc h ALA 148 Cb 0.98 -0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.41 1vbc h ALA 148 CO 0.08 0.30 -0.26 1.98 0.00 0.00 0.00 179.25 181.35 1vbc h MET 149 N 0.79 -0.07 0.00 0.00 1.85 -0.40 -2.48 114.93 114.63 1vbc h MET 149 Ca 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 1vbc h MET 149 Cb 0.06 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.11 1vbc h MET 149 CO -0.07 -0.05 0.28 -0.07 -0.40 0.00 0.00 176.91 176.60 1vbc h LEU 150 N -0.07 0.00 0.00 3.39 3.38 -1.61 -3.43 115.31 116.96 1vbc h LEU 150 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1vbc h LEU 150 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1vbc h LEU 150 CO -0.73 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.41 1vbc n GLY 151 N -1.26 3.49 3.69 0.83 0.00 -0.93 -5.06 105.19 105.95 1vbc n GLY 151 Ca -0.01 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1vbc n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vbc s THR 152 N 0.35 2.83 0.02 2.61 2.01 -0.37 -4.85 115.64 118.25 1vbc s THR 152 Ca 0.00 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 1vbc s THR 152 Cb 0.00 -3.19 0.06 0.00 0.01 0.00 0.00 72.50 69.38 1vbc s THR 152 CO 0.00 -0.00 0.55 -1.38 -0.69 0.00 0.00 174.62 173.10 1vbc s HIS 153 N 2.76 -0.47 -0.08 4.92 -0.00 -1.26 -0.29 115.29 120.86 1vbc s HIS 153 Ca 0.77 0.62 0.05 0.00 -0.00 0.00 0.00 55.06 56.49 1vbc s HIS 153 Cb -0.42 0.35 -0.01 0.00 -0.00 0.00 0.00 32.58 32.50 1vbc s HIS 153 CO 0.34 -0.63 -0.24 0.08 -0.00 0.00 0.00 174.74 174.30 1vbc s VAL 154 N -2.11 2.13 -0.51 -5.38 1.01 -0.02 -4.99 120.40 110.52 1vbc s VAL 154 Ca -0.07 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1vbc s VAL 154 Cb -0.01 -1.80 0.12 0.00 0.00 0.00 0.00 36.38 34.69 1vbc s VAL 154 CO 0.01 0.56 0.45 -0.63 0.00 0.00 0.00 175.10 175.49 1vbc s ILE 155 N 0.12 4.98 0.00 2.22 1.01 -1.26 -1.12 121.20 127.15 1vbc s ILE 155 Ca -0.12 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 58.74 1vbc s ILE 155 Cb -0.16 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1vbc s ILE 155 CO 0.07 -0.79 1.15 0.86 0.00 0.00 0.00 174.94 176.22 1vbc s TRP 156 N 1.55 3.40 -0.21 3.97 -0.00 0.22 -4.92 118.94 122.95 1vbc s TRP 156 Ca 0.04 1.36 -0.04 0.00 -0.00 0.00 0.00 56.10 57.46 1vbc s TRP 156 Cb -0.28 -3.35 -0.01 0.00 -0.00 0.00 0.00 33.47 29.82 1vbc s TRP 156 CO 0.03 -1.00 -0.05 0.34 -0.00 0.00 0.00 176.95 176.27 1vbc s ASP 157 N 1.20 4.32 0.15 5.86 2.15 -1.26 -0.78 116.67 128.31 1vbc s ASP 157 Ca 0.56 -0.37 -0.30 0.00 0.43 0.00 0.00 52.55 52.87 1vbc s ASP 157 Cb -0.26 -1.73 -0.08 0.00 -0.30 0.00 0.00 42.92 40.55 1vbc s ASP 157 CO 0.26 0.01 1.28 -0.76 -0.17 0.00 0.00 175.17 175.78 1vbc s LEU 158 N 1.33 4.41 0.00 -1.34 1.43 -0.07 -4.95 118.68 119.48 1vbc s LEU 158 Ca 0.04 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1vbc s LEU 158 Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1vbc s LEU 158 CO -0.02 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.66 1vbc n GLY 159 N 2.71 1.63 0.36 -3.19 0.00 -1.26 -4.56 105.19 100.89 1vbc n GLY 159 Ca 0.07 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1vbc n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vbc h LEU 160 N 0.00 0.70 -8.06 0.99 3.38 -1.98 -3.08 115.31 107.27 1vbc h LEU 160 Ca 0.00 0.10 -0.62 0.00 0.09 0.00 0.00 57.88 57.45 1vbc h LEU 160 Cb 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 1vbc h LEU 160 CO 0.00 0.21 1.48 -1.10 0.09 0.00 0.00 178.44 179.12 1vbc s GLN 161 N -5.77 3.65 0.50 1.13 -1.52 -1.26 -4.86 119.66 111.53 1vbc s GLN 161 Ca -0.11 -1.34 0.43 0.00 -1.95 0.00 0.00 55.36 52.39 1vbc s GLN 161 Cb 0.25 -5.31 1.60 0.00 -0.22 0.00 0.00 33.01 29.34 1vbc s GLN 161 CO 0.80 -2.14 1.51 -1.13 -0.25 0.00 0.00 175.29 174.08 1vbc n SER 162 N 8.43 0.07 -4.26 5.90 3.41 -1.17 -4.78 113.62 121.23 1vbc n SER 162 Ca 0.34 1.10 -0.21 0.00 -0.26 0.00 0.00 58.87 59.84 1vbc n SER 162 Cb 0.50 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 1vbc n SER 162 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1vbc s SER 163 N -4.01 2.25 -0.05 4.04 1.04 -1.26 -2.07 113.70 113.64 1vbc s SER 163 Ca -0.06 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.65 1vbc s SER 163 Cb 0.27 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1vbc s SER 163 CO 0.84 -0.05 -0.13 0.00 0.98 0.00 0.00 173.24 174.88 1vbc s THR 165 N 0.33 5.03 -0.24 0.00 2.01 -1.26 -0.58 115.64 120.93 1vbc s THR 165 Ca -0.08 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1vbc s THR 165 Cb -0.12 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1vbc s THR 165 CO 0.02 0.38 0.04 -0.32 -0.69 0.00 0.00 174.62 174.06 1vbc s MET 166 N 0.91 3.58 -0.18 4.92 1.75 0.29 -4.97 119.30 125.61 1vbc s MET 166 Ca 0.06 -0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 53.75 1vbc s MET 166 Cb -0.13 -3.24 -0.02 0.00 2.84 0.00 0.00 34.83 34.27 1vbc s MET 166 CO 0.03 -0.19 0.75 0.08 -0.65 0.00 0.00 175.02 175.04 1vbc s VAL 167 N 1.58 4.94 -0.50 10.11 1.01 -1.26 -0.75 120.40 135.53 1vbc s VAL 167 Ca 0.06 1.45 -0.22 0.00 0.00 0.00 0.00 61.98 63.27 1vbc s VAL 167 Cb -0.15 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1vbc s VAL 167 CO 0.02 0.07 0.78 -0.69 0.00 0.00 0.00 175.10 175.28 1vbc s VAL 168 N 2.02 4.64 0.17 2.92 1.01 0.14 -4.98 120.40 126.31 1vbc s VAL 168 Ca 0.35 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1vbc s VAL 168 Cb -0.16 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.77 1vbc s VAL 168 CO 0.12 -0.86 1.02 -2.16 0.00 0.00 0.00 175.10 173.22 1vbc s PRO 169 N 3.30 4.68 -0.63 2.72 0.04 -1.26 -1.99 135.00 141.85 1vbc s PRO 169 Ca 0.25 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.62 1vbc s PRO 169 Cb -0.14 -3.31 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 1vbc s PRO 169 CO 0.18 0.20 2.43 1.87 0.04 0.00 0.00 177.00 181.73 1vbc n TRP 170 N 2.33 1.24 -4.02 0.56 -0.00 -1.26 -4.89 117.44 111.41 1vbc n TRP 170 Ca 0.02 0.10 -0.31 0.00 -0.00 0.00 0.00 57.50 57.30 1vbc n TRP 170 Cb 0.47 -2.54 -0.15 0.00 -0.00 0.00 0.00 31.31 29.09 1vbc n TRP 170 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1vbc s ILE 171 N 12.36 1.94 0.08 5.87 1.01 -1.26 -5.02 121.20 136.18 1vbc s ILE 171 Ca 1.01 -1.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1vbc s ILE 171 Cb -0.26 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.10 1vbc s ILE 171 CO 0.24 -0.12 0.42 -0.55 0.00 0.00 0.00 174.94 174.93 1vbc s SER 172 N 1.19 -0.28 -0.13 3.58 0.15 -1.26 -4.94 113.70 112.01 1vbc s SER 172 Ca -0.06 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.20 1vbc s SER 172 Cb -0.19 0.46 -0.26 0.00 -1.71 0.00 0.00 66.02 64.31 1vbc s SER 172 CO -0.06 -0.76 0.71 -0.55 1.20 0.00 0.00 173.24 173.77 1vbc h ASN 173 N 2.66 0.11 -4.21 5.45 -1.07 -1.94 -3.47 115.58 113.11 1vbc h ASN 173 Ca -0.33 -0.92 -0.48 0.00 0.07 0.00 0.00 56.30 54.65 1vbc h ASN 173 Cb 1.23 -0.04 0.02 0.00 -2.07 0.00 0.00 38.32 37.47 1vbc h ASN 173 CO 0.45 1.18 0.38 0.68 0.07 0.00 0.00 177.43 180.19 1vbc s VAL 174 N -2.30 4.51 0.25 6.14 -7.23 -1.26 -4.98 120.40 115.53 1vbc s VAL 174 Ca -0.19 1.16 0.09 0.00 -1.81 0.00 0.00 61.98 61.23 1vbc s VAL 174 Cb -0.01 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 1vbc s VAL 174 CO 0.71 -0.73 1.56 0.71 -0.31 0.00 0.00 175.10 177.03 1vbc h THR 175 N 0.75 1.47 -3.43 5.32 1.35 -1.98 -3.42 112.91 112.97 1vbc h THR 175 Ca -0.46 -2.26 -0.44 0.00 -0.55 0.00 0.00 66.41 62.69 1vbc h THR 175 Cb 1.19 2.21 -0.34 0.00 -1.73 0.00 0.00 68.15 69.48 1vbc h THR 175 CO 0.61 0.65 -0.78 -0.31 -0.25 0.00 0.00 175.52 175.44 1vbc s TYR 176 N -3.52 0.97 0.68 4.73 1.51 -1.26 -4.79 117.35 115.67 1vbc s TYR 176 Ca -0.01 -0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 1vbc s TYR 176 Cb 0.12 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1vbc s TYR 176 CO 0.78 -0.23 1.08 1.03 -1.11 0.00 0.00 175.55 177.09 1vbc s ARG 177 N 0.93 3.02 0.35 -0.62 0.52 0.22 -4.85 118.95 118.52 1vbc s ARG 177 Ca -0.11 0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 55.53 1vbc s ARG 177 Cb -0.15 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.22 1vbc s ARG 177 CO 0.00 -0.93 0.67 -0.65 0.02 0.00 0.00 175.30 174.42 1vbc s GLN 178 N -5.31 3.74 0.22 3.54 -0.21 -1.26 -0.75 119.66 119.62 1vbc s GLN 178 Ca 0.57 0.30 0.11 0.00 0.02 0.00 0.00 55.36 56.37 1vbc s GLN 178 Cb -0.11 -2.50 0.02 0.00 1.00 0.00 0.00 33.01 31.42 1vbc s GLN 178 CO 0.52 0.09 1.41 1.79 -2.12 0.00 0.00 175.29 176.98 1vbc h THR 179 N 1.31 1.30 -3.92 -0.19 1.35 -1.73 -3.44 112.91 107.60 1vbc h THR 179 Ca -0.47 -2.69 -0.48 0.00 -0.55 0.00 0.00 66.41 62.21 1vbc h THR 179 Cb 1.19 2.55 0.06 0.00 -1.73 0.00 0.00 68.15 70.21 1vbc h THR 179 CO 0.65 0.71 0.25 0.42 -0.25 0.00 0.00 175.52 177.30 1vbc s THR 180 N -2.96 3.74 0.24 6.82 -4.23 -1.26 -3.41 115.64 114.58 1vbc s THR 180 Ca 0.02 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 1vbc s THR 180 Cb 0.09 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.33 1vbc s THR 180 CO 0.77 -0.57 1.46 -1.58 -0.54 0.00 0.00 174.62 174.17 1vbc s GLN 181 N -5.09 4.25 -0.30 3.99 2.00 -1.26 -5.00 119.66 118.25 1vbc s GLN 181 Ca 0.55 2.32 -0.13 0.00 -2.00 0.00 0.00 55.36 56.10 1vbc s GLN 181 Cb -0.11 -3.11 0.17 0.00 0.80 0.00 0.00 33.01 30.77 1vbc s GLN 181 CO 0.47 -0.46 1.01 0.34 -0.50 0.00 0.00 175.29 176.16 1vbc s ASP 182 N 0.48 -0.54 0.41 6.67 2.15 -1.26 -5.05 116.67 119.52 1vbc s ASP 182 Ca 0.61 0.50 0.18 0.00 0.43 0.00 0.00 52.55 54.27 1vbc s ASP 182 Cb -0.42 1.52 1.10 0.00 -0.30 0.00 0.00 42.92 44.82 1vbc s ASP 182 CO 0.42 -0.10 1.80 0.28 -0.17 0.00 0.00 175.17 177.40 1vbc h SER 183 N 7.75 0.42 -0.74 -0.34 0.02 -1.98 -1.01 113.55 117.67 1vbc h SER 183 Ca -0.15 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1vbc h SER 183 Cb 1.15 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1vbc h SER 183 CO 0.01 0.12 0.49 0.15 -1.14 0.00 0.00 176.83 176.46 1vbc h PHE 184 N 0.40 0.93 -0.38 3.45 3.57 -2.01 -2.82 116.94 120.07 1vbc h PHE 184 Ca 0.55 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.83 1vbc h PHE 184 Cb 1.40 -0.32 -0.16 0.00 2.79 0.00 0.00 35.95 39.66 1vbc h PHE 184 CO -0.00 0.59 -0.29 0.25 -2.23 0.00 0.00 178.31 176.62 1vbc n THR 185 N -4.42 2.53 -2.35 4.41 -2.24 -0.44 -4.92 114.28 106.85 1vbc n THR 185 Ca 0.08 -3.21 -0.38 0.00 -2.27 0.00 0.00 64.05 58.27 1vbc n THR 185 Cb 0.03 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 1vbc n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1vbc s GLU 186 N -3.36 4.09 0.13 -0.78 -1.05 -0.87 -4.42 118.70 112.45 1vbc s GLU 186 Ca 0.45 1.77 0.23 0.00 -0.15 0.00 0.00 54.97 57.27 1vbc s GLU 186 Cb 0.41 -2.66 0.15 0.00 -0.44 0.00 0.00 34.13 31.58 1vbc s GLU 186 CO -0.01 -0.26 1.14 0.41 0.95 0.00 0.00 175.26 177.48 1vbc n GLY 187 N 0.60 -1.38 0.00 -3.83 0.00 -1.25 -4.77 105.19 94.57 1vbc n GLY 187 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1vbc n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vbc n GLY 188 N 1.29 -0.52 3.23 -0.02 0.00 -1.26 -4.27 105.19 103.63 1vbc n GLY 188 Ca 0.02 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 1vbc n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbc s TYR 189 N 0.00 1.95 -0.13 1.61 2.02 0.05 -0.97 117.35 121.88 1vbc s TYR 189 Ca 0.00 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1vbc s TYR 189 Cb 0.00 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1vbc s TYR 189 CO 0.00 -0.07 -0.13 0.42 -1.57 0.00 0.00 175.55 174.20 1vbc s ILE 190 N -0.41 3.05 0.02 2.71 1.01 0.52 -0.84 121.20 127.27 1vbc s ILE 190 Ca 0.06 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1vbc s ILE 190 Cb -0.09 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1vbc s ILE 190 CO -0.00 0.53 0.30 -0.94 0.00 0.00 0.00 174.94 174.82 1vbc s SER 191 N 0.34 -0.14 0.02 3.58 1.04 -0.34 -0.51 113.70 117.69 1vbc s SER 191 Ca -0.11 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1vbc s SER 191 Cb -0.16 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1vbc s SER 191 CO 0.06 -0.55 -0.08 -0.32 0.98 0.00 0.00 173.24 173.33 1vbc s MET 192 N -2.11 0.54 0.05 4.02 1.75 -0.79 -0.30 119.30 122.46 1vbc s MET 192 Ca -0.08 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 53.79 1vbc s MET 192 Cb -0.02 -0.43 -0.02 0.00 2.84 0.00 0.00 34.83 37.20 1vbc s MET 192 CO -0.01 0.10 0.07 -0.06 -0.65 0.00 0.00 175.02 174.48 1vbc s PHE 193 N -0.78 0.27 0.10 4.11 0.08 0.28 -0.70 117.98 121.34 1vbc s PHE 193 Ca -0.03 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.07 1vbc s PHE 193 Cb -0.06 -0.19 -0.06 0.00 -0.57 0.00 0.00 43.02 42.13 1vbc s PHE 193 CO 0.00 -0.38 1.15 0.71 -0.10 0.00 0.00 175.22 176.61 1vbc s TYR 194 N -2.97 3.50 0.03 0.36 2.02 -1.26 -0.27 117.35 118.75 1vbc s TYR 194 Ca -0.02 1.43 0.05 0.00 -0.37 0.00 0.00 57.07 58.17 1vbc s TYR 194 Cb 0.01 -3.35 -0.24 0.00 -0.40 0.00 0.00 41.96 37.98 1vbc s TYR 194 CO -0.06 -0.97 0.94 0.37 -1.57 0.00 0.00 175.55 174.25 1vbc h GLN 195 N 6.13 0.08 0.00 -0.62 5.75 -0.82 -3.43 115.11 122.19 1vbc h GLN 195 Ca -0.43 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1vbc h GLN 195 Cb 1.21 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1vbc h GLN 195 CO 0.77 0.88 0.00 0.25 -2.65 0.00 0.00 178.83 178.08 1vbc n THR 196 N -3.29 0.00 -3.74 2.39 -2.24 -1.00 -5.00 114.28 101.40 1vbc n THR 196 Ca -0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1vbc n THR 196 Cb 1.01 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 1vbc n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vbc s ARG 197 N 1.68 1.34 0.00 -0.78 1.70 -1.26 -4.93 118.95 116.70 1vbc s ARG 197 Ca 0.00 -0.71 -0.30 0.00 -0.47 0.00 0.00 55.73 54.24 1vbc s ARG 197 Cb 0.00 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.80 1vbc s ARG 197 CO 0.00 -0.61 1.36 0.42 -1.08 0.00 0.00 175.30 175.39 1vbc s ILE 198 N -3.49 3.78 -0.17 4.99 -1.09 -1.26 -4.11 121.20 119.85 1vbc s ILE 198 Ca 0.10 1.17 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 1vbc s ILE 198 Cb -0.03 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1vbc s ILE 198 CO 0.02 0.01 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.86 1vbc s VAL 199 N 2.23 2.23 0.29 2.92 1.01 -0.60 -4.22 120.40 124.26 1vbc s VAL 199 Ca 0.62 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1vbc s VAL 199 Cb -0.31 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1vbc s VAL 199 CO 0.26 0.53 0.17 0.68 0.00 0.00 0.00 175.10 176.74 1vbc s VAL 200 N 1.14 3.83 0.54 2.92 -7.23 -1.26 -1.21 120.40 119.12 1vbc s VAL 200 Ca 0.01 -1.54 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1vbc s VAL 200 Cb -0.14 -3.18 0.12 0.00 0.56 0.00 0.00 36.38 33.74 1vbc s VAL 200 CO -0.08 -0.29 0.73 -0.81 -0.31 0.00 0.00 175.10 174.34 1vbc n PRO 201 N -1.16 -0.35 -1.13 4.82 -0.04 -1.26 -5.05 135.00 130.83 1vbc n PRO 201 Ca -0.05 -1.48 -0.30 0.00 -0.04 0.00 0.00 63.50 61.62 1vbc n PRO 201 Cb 0.59 -0.65 0.14 0.00 -0.04 0.00 0.00 33.50 33.54 1vbc n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vbc s LEU 202 N 0.00 2.38 -1.46 1.53 1.43 -1.26 -3.59 118.68 117.72 1vbc s LEU 202 Ca 0.44 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1vbc s LEU 202 Cb -0.02 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1vbc s LEU 202 CO 0.30 -2.66 0.00 -1.20 0.23 0.00 0.00 176.35 173.03 1vbc n SER 203 N -3.91 -5.68 -4.27 2.29 7.64 -1.26 -4.96 113.62 103.48 1vbc n SER 203 Ca 0.08 0.34 -0.31 0.00 1.01 0.00 0.00 58.87 59.98 1vbc n SER 203 Cb 0.54 -4.39 -0.16 0.00 -1.01 0.00 0.00 64.21 59.19 1vbc n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vbc s THR 204 N -2.17 2.04 -0.02 0.44 2.01 -1.24 -5.09 115.64 111.62 1vbc s THR 204 Ca 0.00 -1.06 -0.35 0.00 0.31 0.00 0.00 61.69 60.59 1vbc s THR 204 Cb 0.00 -1.73 -0.13 0.00 0.01 0.00 0.00 72.50 70.65 1vbc s THR 204 CO 0.00 0.57 1.74 -2.65 -0.69 0.00 0.00 174.62 173.59 1vbc n PRO 205 N 2.92 1.99 0.00 4.92 -0.02 -1.26 -4.88 135.00 138.67 1vbc n PRO 205 Ca -0.17 0.73 0.10 0.00 -2.02 0.00 0.00 63.50 62.14 1vbc n PRO 205 Cb 0.52 -2.52 0.62 0.00 -0.02 0.00 0.00 33.50 32.10 1vbc n PRO 205 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vbc n LYS 206 N 5.28 0.95 -3.76 -0.52 5.02 -1.26 -4.81 118.16 119.06 1vbc n LYS 206 Ca 0.21 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1vbc n LYS 206 Cb 0.27 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 1vbc n LYS 206 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vbc s SER 207 N -1.70 -0.30 0.21 4.39 0.15 -1.26 -1.33 113.70 113.85 1vbc s SER 207 Ca 0.31 0.58 -0.15 0.00 0.70 0.00 0.00 55.95 57.40 1vbc s SER 207 Cb 0.14 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1vbc s SER 207 CO 0.24 -0.12 0.48 0.00 1.20 0.00 0.00 173.24 175.04 1vbc s MET 208 N 0.53 1.41 0.05 5.44 0.23 -0.58 -5.01 119.30 121.38 1vbc s MET 208 Ca -0.03 -1.04 -0.07 0.00 -1.03 0.00 0.00 55.69 53.52 1vbc s MET 208 Cb -0.05 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1vbc s MET 208 CO -0.03 -0.59 0.33 -1.12 -2.03 0.00 0.00 175.02 171.58 1vbc s SER 209 N -2.93 6.54 -0.11 -1.18 0.01 -1.26 -0.57 113.70 114.19 1vbc s SER 209 Ca 0.14 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1vbc s SER 209 Cb -0.00 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 1vbc s SER 209 CO 0.02 0.20 -0.12 -0.32 0.41 0.00 0.00 173.24 173.42 1vbc s MET 210 N -1.95 3.18 -0.00 12.44 0.00 0.52 -0.76 119.30 132.72 1vbc s MET 210 Ca 0.31 -0.66 0.00 0.00 0.00 0.00 0.00 55.69 55.35 1vbc s MET 210 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 34.83 32.05 1vbc s MET 210 CO 0.18 0.34 0.04 -0.51 0.00 0.00 0.00 175.02 175.08 1vbc s LEU 211 N 0.02 3.72 0.01 4.11 1.43 -0.25 -1.30 118.68 126.42 1vbc s LEU 211 Ca -0.03 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1vbc s LEU 211 Cb -0.14 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1vbc s LEU 211 CO 0.04 0.27 -0.23 -0.83 0.23 0.00 0.00 176.35 175.83 1vbc s GLY 212 N -1.66 1.40 0.03 -3.19 0.00 -1.26 -0.15 107.32 102.49 1vbc s GLY 212 Ca 0.21 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 43.84 1vbc s GLY 212 CO 0.12 -1.00 -0.18 -1.36 0.00 0.00 0.00 173.10 170.68 1vbc s PHE 213 N -0.74 1.61 -0.01 1.90 0.40 0.43 -1.02 117.98 120.55 1vbc s PHE 213 Ca 0.11 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1vbc s PHE 213 Cb -0.10 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 1vbc s PHE 213 CO 0.01 0.05 -0.15 0.54 0.70 0.00 0.00 175.22 176.38 1vbc s VAL 214 N -0.74 1.15 0.05 -0.44 0.11 -0.64 -0.77 120.40 119.12 1vbc s VAL 214 Ca 0.06 -0.65 -0.23 0.00 -2.93 0.00 0.00 61.98 58.22 1vbc s VAL 214 Cb -0.08 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 33.86 1vbc s VAL 214 CO 0.01 0.30 0.54 -0.94 -3.33 0.00 0.00 175.10 171.68 1vbc s SER 215 N -0.41 -0.47 0.22 3.54 1.04 -0.85 -2.23 113.70 114.54 1vbc s SER 215 Ca 0.05 0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 1vbc s SER 215 Cb -0.06 0.51 -0.09 0.00 0.10 0.00 0.00 66.02 66.49 1vbc s SER 215 CO -0.00 -0.74 0.94 0.00 0.98 0.00 0.00 173.24 174.41 1vbc s ALA 216 N -2.53 3.33 0.84 5.32 0.00 -0.28 -0.54 121.76 127.89 1vbc s ALA 216 Ca -0.05 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1vbc s ALA 216 Cb -0.01 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.99 1vbc s ALA 216 CO -0.02 0.18 1.14 0.00 0.00 0.00 0.00 175.76 177.05 1vbc n ASN 218 N -3.49 0.00 -0.19 0.00 2.04 -1.26 -2.04 115.26 110.32 1vbc n ASN 218 Ca 0.07 -0.02 0.12 0.00 -0.44 0.00 0.00 54.58 54.32 1vbc n ASN 218 Cb 0.59 -0.15 0.30 0.00 -2.53 0.00 0.00 39.78 37.99 1vbc n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1vbc n ASP 219 N -1.15 0.96 -4.71 0.53 5.75 -1.26 -4.97 116.55 111.70 1vbc n ASP 219 Ca 0.05 -0.77 -0.42 0.00 -0.01 0.00 0.00 54.79 53.63 1vbc n ASP 219 Cb 0.04 0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 1vbc n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1vbc s PHE 220 N -2.65 3.49 0.19 2.11 2.19 -0.86 -4.53 117.98 117.91 1vbc s PHE 220 Ca 0.20 1.44 0.00 0.00 0.33 0.00 0.00 56.93 58.90 1vbc s PHE 220 Cb 0.19 -3.31 -0.04 0.00 -1.31 0.00 0.00 43.02 38.54 1vbc s PHE 220 CO 0.59 -0.83 0.06 -1.54 1.83 0.00 0.00 175.22 175.33 1vbc s SER 221 N 1.08 0.77 0.05 6.13 1.04 0.29 -4.98 113.70 118.08 1vbc s SER 221 Ca 0.56 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.73 1vbc s SER 221 Cb -0.26 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1vbc s SER 221 CO 0.28 -0.70 -0.07 0.68 0.98 0.00 0.00 173.24 174.41 1vbc s VAL 222 N -3.88 0.49 0.22 5.02 -7.23 -1.26 -1.36 120.40 112.40 1vbc s VAL 222 Ca 0.30 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 59.07 1vbc s VAL 222 Cb 0.07 -0.85 -0.00 0.00 0.56 0.00 0.00 36.38 36.16 1vbc s VAL 222 CO 0.07 -0.54 0.41 0.00 -0.31 0.00 0.00 175.10 174.73 1vbc s ARG 223 N -2.20 1.41 -0.41 4.82 1.70 -0.22 -5.00 118.95 119.05 1vbc s ARG 223 Ca -0.05 -1.21 -0.14 0.00 -0.47 0.00 0.00 55.73 53.85 1vbc s ARG 223 Cb -0.06 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1vbc s ARG 223 CO -0.02 -0.56 0.52 -0.11 -1.08 0.00 0.00 175.30 174.05 1vbc n LEU 224 N -0.33 -7.80 -4.65 -1.89 0.00 -1.26 -1.37 117.00 99.70 1vbc n LEU 224 Ca -0.04 0.64 -0.43 0.00 0.00 0.00 0.00 56.01 56.19 1vbc n LEU 224 Cb 0.62 -3.34 -0.01 0.00 0.00 0.00 0.00 43.42 40.70 1vbc n LEU 224 CO 0.23 -2.42 0.74 -0.11 0.00 0.00 0.00 177.39 175.83 1vbc n LEU 225 N -0.15 2.82 -3.90 -1.96 7.94 -1.26 -0.20 117.00 120.29 1vbc n LEU 225 Ca 0.10 1.17 -0.09 0.00 -1.11 0.00 0.00 56.01 56.08 1vbc n LEU 225 Cb 0.40 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 1vbc n LEU 225 CO 0.48 -0.95 0.23 0.00 -1.11 0.00 0.00 177.39 176.04 1vbc s ARG 226 N -1.80 1.50 0.06 1.96 1.70 0.11 -4.81 118.95 117.68 1vbc s ARG 226 Ca 0.58 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 1vbc s ARG 226 Cb -0.61 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.22 1vbc s ARG 226 CO 0.61 -0.63 0.99 -0.51 -1.08 0.00 0.00 175.30 174.67 1vbc s ASP 227 N -2.96 7.41 0.38 -2.89 1.01 -1.26 -4.43 116.67 113.92 1vbc s ASP 227 Ca 0.17 1.75 -0.25 0.00 0.71 0.00 0.00 52.55 54.93 1vbc s ASP 227 Cb -0.01 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1vbc s ASP 227 CO 0.05 -0.19 1.04 0.28 0.21 0.00 0.00 175.17 176.56 1vbc s THR 228 N 0.52 3.77 -0.96 -1.27 -1.32 -1.23 -4.90 115.64 110.25 1vbc s THR 228 Ca 0.50 1.41 0.26 0.00 -1.21 0.00 0.00 61.69 62.65 1vbc s THR 228 Cb -0.23 -3.75 0.23 0.00 -1.51 0.00 0.00 72.50 67.24 1vbc s THR 228 CO 0.29 0.06 1.84 0.35 -2.21 0.00 0.00 174.62 174.95 1vbc n THR 229 N 0.13 0.23 1.11 5.08 -2.24 -1.26 -4.26 114.28 113.08 1vbc n THR 229 Ca 0.04 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1vbc n THR 229 Cb 0.49 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1vbc n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1vbc n HIS 230 N -1.59 0.00 -3.59 4.78 8.25 -1.26 -4.79 115.22 117.01 1vbc n HIS 230 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1vbc n HIS 230 Cb 0.32 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 1vbc n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1vbc s ILE 231 N -1.15 0.00 0.05 1.59 1.10 -1.26 -5.19 121.20 116.33 1vbc s ILE 231 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 60.65 60.12 1vbc s ILE 231 Cb 0.00 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.62 1vbc s ILE 231 CO 0.00 0.00 0.09 -1.54 -2.11 0.00 0.00 174.94 171.38 1vbc n SER 232 N 1.47 -0.26 -3.66 4.50 3.41 -1.26 -4.97 113.62 112.85 1vbc n SER 232 Ca -0.13 -1.21 -0.13 0.00 -0.26 0.00 0.00 58.87 57.15 1vbc n SER 232 Cb 0.57 0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 64.89 1vbc n SER 232 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1vbc s GLN 233 N -2.03 0.72 0.13 4.33 0.74 -1.26 -5.18 119.66 117.11 1vbc s GLN 233 Ca 0.02 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.35 1vbc s GLN 233 Cb -0.01 0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.38 1vbc s GLN 233 CO 0.02 -0.10 0.29 -1.12 -0.55 0.00 0.00 175.29 173.83 1vbc s SER 234 N 0.55 6.37 0.00 6.67 0.01 -1.26 -5.35 113.70 120.69 1vbc s SER 234 Ca -0.02 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1vbc s SER 234 Cb -0.05 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1vbc s SER 234 CO -0.02 0.07 0.48 0.00 0.41 0.00 0.00 173.24 174.17