#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vup s ALA 4 N 0.00 3.36 -0.33 0.00 0.00 -1.26 -4.96 121.76 118.57 2vup s ALA 4 Ca 0.00 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.83 2vup s ALA 4 Cb 0.00 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2vup s ALA 4 CO 0.00 -0.09 0.37 -1.13 0.00 0.00 0.00 175.76 174.91 2vup n SER 5 N 1.91 1.17 -3.17 0.00 3.41 -1.26 -5.05 113.62 110.63 2vup n SER 5 Ca 0.01 -0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 58.03 2vup n SER 5 Cb 0.46 1.16 0.01 0.00 -0.26 0.00 0.00 64.21 65.58 2vup n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2vup s SER 6 N -2.37 -0.03 0.49 4.04 1.04 -1.26 -4.68 113.70 110.93 2vup s SER 6 Ca 0.01 -1.03 0.31 0.00 0.48 0.00 0.00 55.95 55.73 2vup s SER 6 Cb 0.07 0.81 1.21 0.00 0.10 0.00 0.00 66.02 68.21 2vup s SER 6 CO 0.42 -1.59 1.91 0.16 0.98 0.00 0.00 173.24 175.12 2vup h ILE 7 N 2.01 0.00 0.00 -1.02 3.07 -0.93 -3.13 117.51 117.50 2vup h ILE 7 Ca -0.29 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.61 2vup h ILE 7 Cb 1.25 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2vup h ILE 7 CO 0.36 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.95 2vup n PHE 8 N -2.95 0.00 1.58 0.16 3.72 -1.26 -2.26 117.46 116.45 2vup n PHE 8 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2vup n PHE 8 Cb 0.32 -0.17 0.34 0.00 -0.94 0.00 0.00 39.48 39.03 2vup n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2vup n ASP 9 N -1.17 0.83 -4.36 4.37 8.00 -1.18 -4.89 116.55 118.14 2vup n ASP 9 Ca 0.16 -1.70 -0.28 0.00 0.71 0.00 0.00 54.79 53.69 2vup n ASP 9 Cb 0.17 -0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 2vup n ASP 9 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2vup s PHE 10 N -1.86 2.17 -0.16 1.24 0.08 -0.96 -5.08 117.98 113.41 2vup s PHE 10 Ca 0.24 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 2vup s PHE 10 Cb 0.12 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2vup s PHE 10 CO 0.19 0.30 -0.02 -1.21 -0.10 0.00 0.00 175.22 174.37 2vup s GLU 11 N -1.99 3.69 0.07 0.44 2.02 -1.26 -4.99 118.70 116.68 2vup s GLU 11 Ca 0.12 -0.48 0.06 0.00 0.02 0.00 0.00 54.97 54.68 2vup s GLU 11 Cb -0.10 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 2vup s GLU 11 CO 0.05 0.28 -0.15 0.14 0.02 0.00 0.00 175.26 175.60 2vup s VAL 12 N 0.28 1.21 -0.06 2.63 -7.23 -1.26 -4.96 120.40 111.01 2vup s VAL 12 Ca -0.02 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.71 2vup s VAL 12 Cb -0.14 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2vup s VAL 12 CO 0.02 -0.18 0.32 -0.76 -0.31 0.00 0.00 175.10 174.19 2vup s LEU 13 N -1.72 4.41 0.93 1.32 1.43 -1.26 -0.91 118.68 122.88 2vup s LEU 13 Ca -0.00 0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 53.70 2vup s LEU 13 Cb -0.10 -2.41 0.17 0.00 0.03 0.00 0.00 46.19 43.88 2vup s LEU 13 CO 0.02 0.30 1.25 1.51 0.23 0.00 0.00 176.35 179.67 2vup s ASP 14 N -0.77 3.42 0.47 2.29 1.47 -0.44 -1.26 116.67 121.86 2vup s ASP 14 Ca 0.20 0.49 0.32 0.00 1.18 0.00 0.00 52.55 54.74 2vup s ASP 14 Cb -0.15 -0.72 1.66 0.00 -0.34 0.00 0.00 42.92 43.37 2vup s ASP 14 CO 0.09 -2.56 1.97 0.00 0.68 0.00 0.00 175.17 175.35 2vup h ALA 15 N -1.52 1.00 -0.24 2.11 0.00 -1.46 0.14 119.26 119.29 2vup h ALA 15 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2vup h ALA 15 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2vup h ALA 15 CO 0.48 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.48 2vup n ASP 16 N -2.64 1.86 -1.82 0.00 8.00 -1.26 -4.66 116.55 116.03 2vup n ASP 16 Ca -0.02 -1.81 -0.19 0.00 0.71 0.00 0.00 54.79 53.48 2vup n ASP 16 Cb 0.09 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2vup n ASP 16 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2vup n HIS 17 N 0.46 -0.45 -4.06 1.24 8.25 0.50 -5.02 115.22 116.14 2vup n HIS 17 Ca 0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.34 2vup n HIS 17 Cb 0.34 -3.47 -0.05 0.00 1.12 0.00 0.00 29.99 27.93 2vup n HIS 17 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2vup s LYS 18 N -4.28 2.99 0.21 -0.41 -2.85 -1.26 -4.90 119.74 109.24 2vup s LYS 18 Ca 0.00 -0.80 -0.32 0.00 -1.00 0.00 0.00 55.97 53.84 2vup s LYS 18 Cb 0.00 -2.71 -0.13 0.00 -2.06 0.00 0.00 37.83 32.93 2vup s LYS 18 CO 0.00 0.50 1.56 -2.30 0.10 0.00 0.00 175.35 175.21 2vup n PRO 19 N -0.28 2.29 -3.46 1.78 -0.02 -1.26 -1.32 135.00 132.73 2vup n PRO 19 Ca -0.08 0.82 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 2vup n PRO 19 Cb 0.54 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 2vup n PRO 19 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2vup s TYR 20 N 0.55 3.68 -1.18 6.00 5.04 -0.08 -4.79 117.35 126.57 2vup s TYR 20 Ca 0.73 0.96 -0.21 0.00 -2.44 0.00 0.00 57.07 56.11 2vup s TYR 20 Cb -0.62 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.35 2vup s TYR 20 CO 0.42 0.53 1.79 1.21 -1.34 0.00 0.00 175.55 178.16 2vup s ASN 21 N -0.68 5.99 0.19 4.32 2.47 -1.26 -4.71 114.94 121.26 2vup s ASN 21 Ca 0.24 -1.86 0.03 0.00 0.42 0.00 0.00 52.86 51.69 2vup s ASN 21 Cb -0.16 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 37.13 2vup s ASN 21 CO 0.12 -2.04 1.44 0.25 -3.72 0.00 0.00 177.10 173.15 2vup h LEU 22 N 14.94 0.26 0.00 3.21 5.85 -1.94 -3.29 115.31 134.33 2vup h LEU 22 Ca 0.30 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2vup h LEU 22 Cb 0.93 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2vup h LEU 22 CO 1.35 0.94 0.00 0.52 -0.34 0.00 0.00 178.44 180.91 2vup n VAL 23 N -3.73 0.10 0.29 1.05 0.31 -1.26 -2.56 118.33 112.54 2vup n VAL 23 Ca -0.03 0.03 0.17 0.00 -0.01 0.00 0.00 64.34 64.49 2vup n VAL 23 Cb 0.74 -0.59 0.67 0.00 -0.91 0.00 0.00 33.84 33.75 2vup n VAL 23 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 2vup h GLN 24 N 0.00 0.00 -0.01 5.55 3.07 -1.98 -2.86 115.11 118.88 2vup h GLN 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2vup h GLN 24 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 2vup h GLN 24 CO 0.00 0.00 -0.32 0.72 0.09 0.00 0.00 178.83 179.32 2vup n HIS 25 N -2.99 0.00 -1.89 0.06 8.25 -1.06 -4.93 115.22 112.67 2vup n HIS 25 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2vup n HIS 25 Cb 0.29 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 2vup n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2vup s LYS 26 N -2.46 4.19 0.00 -0.41 2.20 -1.08 -2.88 119.74 119.30 2vup s LYS 26 Ca 0.23 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 2vup s LYS 26 Cb 0.19 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2vup s LYS 26 CO 0.53 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 2vup n GLY 27 N 2.32 1.98 3.05 5.54 0.00 -0.68 -5.07 105.19 112.34 2vup n GLY 27 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2vup n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vup s SER 28 N -1.63 0.39 0.63 1.61 1.04 -1.14 -4.75 113.70 109.84 2vup s SER 28 Ca 0.00 -0.81 -0.16 0.00 0.48 0.00 0.00 55.95 55.45 2vup s SER 28 Cb 0.00 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2vup s SER 28 CO 0.00 -0.50 1.12 -2.16 0.98 0.00 0.00 173.24 172.68 2vup s PRO 29 N -3.04 2.94 0.11 4.02 0.04 -1.26 -4.41 135.00 133.39 2vup s PRO 29 Ca -0.01 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.53 2vup s PRO 29 Cb 0.02 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2vup s PRO 29 CO -0.07 -1.15 -0.08 -0.51 0.04 0.00 0.00 177.00 175.23 2vup s LEU 30 N -4.55 2.48 -0.18 -3.56 1.02 -0.80 -3.63 118.68 109.46 2vup s LEU 30 Ca 0.69 -0.94 0.01 0.00 0.02 0.00 0.00 54.13 53.92 2vup s LEU 30 Cb -0.22 -0.20 0.02 0.00 0.02 0.00 0.00 46.19 45.81 2vup s LEU 30 CO 0.37 -0.37 -0.20 -0.22 0.02 0.00 0.00 176.35 175.95 2vup s LEU 31 N -2.85 2.11 -0.28 1.79 2.96 -0.59 -0.40 118.68 121.43 2vup s LEU 31 Ca 0.10 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 2vup s LEU 31 Cb 0.02 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.25 2vup s LEU 31 CO -0.02 0.00 0.05 -0.63 -1.32 0.00 0.00 176.35 174.43 2vup s ILE 32 N 1.26 3.80 0.02 6.68 1.01 -0.18 -1.77 121.20 132.02 2vup s ILE 32 Ca 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 2vup s ILE 32 Cb -0.13 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2vup s ILE 32 CO -0.12 0.15 0.26 -0.31 0.00 0.00 0.00 174.94 174.92 2vup s TYR 33 N 1.49 3.56 -0.10 3.97 2.02 -0.22 -1.36 117.35 126.71 2vup s TYR 33 Ca 0.03 0.51 -0.14 0.00 -0.37 0.00 0.00 57.07 57.10 2vup s TYR 33 Cb -0.17 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.40 2vup s TYR 33 CO 0.01 0.60 0.34 0.54 -1.57 0.00 0.00 175.55 175.47 2vup s ASN 34 N -1.86 6.58 0.26 2.29 4.22 -1.00 -0.54 114.94 124.89 2vup s ASN 34 Ca 0.29 0.69 0.08 0.00 -2.14 0.00 0.00 52.86 51.79 2vup s ASN 34 Cb -0.13 -2.20 -0.05 0.00 1.28 0.00 0.00 41.25 40.14 2vup s ASN 34 CO 0.18 0.20 -0.12 0.68 -2.04 0.00 0.00 177.10 176.00 2vup s VAL 35 N -0.19 1.89 -0.01 3.54 -7.23 0.78 0.02 120.40 119.21 2vup s VAL 35 Ca 0.20 -2.22 -0.15 0.00 -1.81 0.00 0.00 61.98 58.00 2vup s VAL 35 Cb -0.14 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2vup s VAL 35 CO 0.08 -0.41 0.32 0.00 -0.31 0.00 0.00 175.10 174.78 2vup s ALA 36 N -2.86 -0.80 -0.20 1.32 0.00 -1.26 -1.49 121.76 116.46 2vup s ALA 36 Ca 0.27 0.31 0.22 0.00 0.00 0.00 0.00 51.96 52.76 2vup s ALA 36 Cb 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.14 2vup s ALA 36 CO 0.11 -0.29 0.87 0.43 0.00 0.00 0.00 175.76 176.88 2vup n SER 37 N 1.14 0.57 -1.49 0.00 7.64 -1.01 -4.33 113.62 116.14 2vup n SER 37 Ca -0.21 0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.74 2vup n SER 37 Cb 0.57 0.94 0.09 0.00 -1.01 0.00 0.00 64.21 64.80 2vup n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2vup n LYS 38 N -2.50 2.84 -4.06 1.43 5.02 -0.74 -4.93 118.16 115.22 2vup n LYS 38 Ca -0.01 -3.84 -0.23 0.00 -2.02 0.00 0.00 58.31 52.21 2vup n LYS 38 Cb 0.55 -2.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 2vup n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vup h GLY 40 N 1.67 0.00 -0.34 0.00 0.00 -1.96 -2.64 103.07 99.80 2vup h GLY 40 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2vup h GLY 40 CO 0.62 0.00 -0.28 -1.72 0.00 0.00 0.00 176.54 175.16 2vup n TYR 41 N -2.82 0.00 0.05 5.60 4.01 -1.26 -4.60 117.16 118.15 2vup n TYR 41 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 2vup n TYR 41 Cb 0.28 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 2vup n TYR 41 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2vup h THR 42 N 1.90 0.29 0.67 -0.72 2.02 -1.72 0.83 112.91 116.18 2vup h THR 42 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2vup h THR 42 Cb 0.61 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2vup h THR 42 CO 0.00 0.00 -0.47 0.11 0.37 0.00 0.00 175.52 175.53 2vup h LYS 43 N -0.47 -1.04 -0.48 6.66 1.57 -1.81 0.29 116.57 121.28 2vup h LYS 43 Ca 0.06 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2vup h LYS 43 Cb 0.57 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2vup h LYS 43 CO -0.28 -0.69 0.22 0.78 -0.57 0.00 0.00 179.45 178.90 2vup h GLY 44 N -1.08 0.73 0.81 3.86 0.00 -1.83 -1.81 103.07 103.75 2vup h GLY 44 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2vup h GLY 44 CO 0.06 0.32 -0.18 -1.33 0.00 0.00 0.00 176.54 175.41 2vup h GLY 45 N 0.80 -0.54 2.00 4.60 0.00 0.89 -1.88 103.07 108.95 2vup h GLY 45 Ca 0.17 0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 2vup h GLY 45 CO -0.02 -0.20 -0.32 -0.97 0.00 0.00 0.00 176.54 175.04 2vup h TYR 46 N -0.71 0.00 -0.20 5.60 0.05 -0.86 -1.71 116.97 119.14 2vup h TYR 46 Ca -0.05 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.61 2vup h TYR 46 Cb 0.50 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 2vup h TYR 46 CO -0.00 0.32 -0.32 0.93 -1.05 0.00 0.00 178.16 178.03 2vup h GLU 47 N 0.00 0.56 -0.24 4.88 5.08 -1.30 -1.44 114.58 122.11 2vup h GLU 47 Ca -0.00 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2vup h GLU 47 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2vup h GLU 47 CO 0.04 0.95 0.08 1.15 -1.00 0.00 0.00 179.01 180.23 2vup h THR 48 N 0.23 1.19 -0.26 1.13 2.02 -1.21 -1.13 112.91 114.88 2vup h THR 48 Ca 0.02 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.63 2vup h THR 48 Cb 0.90 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2vup h THR 48 CO 0.07 0.19 0.12 0.00 0.37 0.00 0.00 175.52 176.27 2vup h ALA 49 N 0.92 0.30 0.05 6.16 0.00 -1.32 -1.24 119.26 124.14 2vup h ALA 49 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2vup h ALA 49 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2vup h ALA 49 CO -0.00 -0.28 -0.03 1.15 0.00 0.00 0.00 179.25 180.09 2vup h THR 50 N 0.25 0.98 -0.55 0.00 2.02 -1.27 -1.27 112.91 113.08 2vup h THR 50 Ca 0.11 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.24 2vup h THR 50 Cb 0.04 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 2vup h THR 50 CO -0.08 0.03 0.24 0.74 0.37 0.00 0.00 175.52 176.82 2vup h THR 51 N -0.12 0.88 -0.34 3.16 2.02 -1.04 0.83 112.91 118.29 2vup h THR 51 Ca -0.01 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 2vup h THR 51 Cb 0.10 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2vup h THR 51 CO 0.01 0.08 -0.23 -0.07 0.37 0.00 0.00 175.52 175.68 2vup h LEU 52 N 0.45 0.66 0.07 2.58 3.38 -1.19 -1.81 115.31 119.46 2vup h LEU 52 Ca 0.26 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2vup h LEU 52 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2vup h LEU 52 CO -0.22 0.88 -0.03 0.22 0.09 0.00 0.00 178.44 179.38 2vup h TYR 53 N 0.58 -0.09 -1.01 1.13 3.20 -0.48 -2.19 116.97 118.11 2vup h TYR 53 Ca 0.08 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2vup h TYR 53 Cb 0.71 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 2vup h TYR 53 CO 0.03 0.28 0.66 -0.91 -1.64 0.00 0.00 178.16 176.58 2vup h ASN 54 N -0.47 1.11 1.07 -2.11 2.35 -0.90 0.28 115.58 116.91 2vup h ASN 54 Ca -0.01 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2vup h ASN 54 Cb 0.40 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2vup h ASN 54 CO 0.02 0.76 -0.39 0.50 -1.65 0.00 0.00 177.43 176.67 2vup h LYS 55 N 1.29 0.00 0.00 0.81 3.64 -1.29 -3.34 116.57 117.68 2vup h LYS 55 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2vup h LYS 55 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2vup h LYS 55 CO -0.12 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.11 2vup n TYR 56 N -3.40 0.00 -0.33 1.91 4.01 -0.83 -4.79 117.16 113.74 2vup n TYR 56 Ca 0.01 -0.15 -0.02 0.00 -0.16 0.00 0.00 57.90 57.57 2vup n TYR 56 Cb 0.57 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.60 2vup n TYR 56 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2vup n LYS 57 N -0.15 -0.22 0.06 -0.72 5.02 0.96 -1.79 118.16 121.31 2vup n LYS 57 Ca 0.00 1.28 0.09 0.00 -2.02 0.00 0.00 58.31 57.66 2vup n LYS 57 Cb 0.18 -1.90 0.39 0.00 -0.02 0.00 0.00 35.03 33.68 2vup n LYS 57 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2vup n SER 58 N -5.20 0.29 -1.15 4.39 3.41 -1.26 -1.91 113.62 112.19 2vup n SER 58 Ca 0.07 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 2vup n SER 58 Cb 0.31 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.91 2vup n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vup n GLN 59 N -1.81 2.47 -0.45 4.33 6.02 -0.74 -4.92 117.38 122.27 2vup n GLN 59 Ca 0.03 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.76 2vup n GLN 59 Cb 0.20 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2vup n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vup n GLY 60 N 1.51 0.77 3.74 1.08 0.00 -0.80 -4.92 105.19 106.58 2vup n GLY 60 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2vup n GLY 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vup s PHE 61 N -2.10 3.91 0.17 1.61 5.36 -1.15 -4.62 117.98 121.16 2vup s PHE 61 Ca 0.00 1.87 0.01 0.00 -0.96 0.00 0.00 56.93 57.85 2vup s PHE 61 Cb 0.00 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.61 2vup s PHE 61 CO 0.00 0.32 0.02 -0.08 -1.46 0.00 0.00 175.22 174.02 2vup s THR 62 N -0.81 0.56 -0.11 0.12 -1.32 -1.24 -4.12 115.64 108.72 2vup s THR 62 Ca 0.43 -1.97 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 2vup s THR 62 Cb -0.26 -2.15 -0.00 0.00 -1.51 0.00 0.00 72.50 68.58 2vup s THR 62 CO 0.32 -0.43 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.39 2vup s VAL 63 N -3.74 2.27 -0.12 5.08 1.01 -1.26 -1.54 120.40 122.11 2vup s VAL 63 Ca 0.25 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2vup s VAL 63 Cb 0.06 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2vup s VAL 63 CO 0.04 0.55 -0.06 -0.76 0.00 0.00 0.00 175.10 174.88 2vup s LEU 64 N 0.35 3.19 -0.23 3.92 1.43 -0.73 -3.66 118.68 122.95 2vup s LEU 64 Ca -0.17 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2vup s LEU 64 Cb -0.18 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2vup s LEU 64 CO 0.08 0.25 -0.07 0.00 0.23 0.00 0.00 176.35 176.85 2vup s ALA 65 N -0.13 2.71 -0.40 4.21 0.00 -0.88 -1.06 121.76 126.21 2vup s ALA 65 Ca 0.02 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 2vup s ALA 65 Cb -0.13 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.37 2vup s ALA 65 CO 0.03 -0.64 0.27 -0.06 0.00 0.00 0.00 175.76 175.35 2vup s PHE 66 N 1.38 3.25 0.32 0.00 0.08 0.30 -0.44 117.98 122.87 2vup s PHE 66 Ca 0.03 -0.91 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 2vup s PHE 66 Cb -0.15 -2.63 -0.10 0.00 -0.57 0.00 0.00 43.02 39.56 2vup s PHE 66 CO -0.05 -0.67 1.35 -2.14 -0.10 0.00 0.00 175.22 173.61 2vup s PRO 67 N 1.59 4.31 -0.11 0.24 0.02 -1.26 -0.15 135.00 139.63 2vup s PRO 67 Ca 0.03 2.27 -0.07 0.00 0.02 0.00 0.00 61.00 63.25 2vup s PRO 67 Cb -0.20 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.30 2vup s PRO 67 CO 0.07 -0.26 0.28 0.00 -0.33 0.00 0.00 177.00 176.76 2vup n ASN 69 N 3.82 4.22 -0.37 0.00 5.15 -1.26 -4.23 115.26 122.57 2vup n ASN 69 Ca -0.21 -3.14 0.14 0.00 -0.60 0.00 0.00 54.58 50.77 2vup n ASN 69 Cb 0.55 -0.62 0.45 0.00 -0.53 0.00 0.00 39.78 39.63 2vup n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vup n GLN 70 N -0.33 1.29 -3.94 1.20 6.02 -1.26 -3.68 117.38 116.67 2vup n GLN 70 Ca 0.28 -0.75 -0.30 0.00 -0.01 0.00 0.00 57.00 56.22 2vup n GLN 70 Cb 1.06 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.70 2vup n GLN 70 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vup s PHE 71 N -2.23 3.17 -0.21 1.08 0.08 -1.26 -4.67 117.98 113.94 2vup s PHE 71 Ca 0.32 -3.17 0.00 0.00 0.12 0.00 0.00 56.93 54.20 2vup s PHE 71 Cb 0.20 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2vup s PHE 71 CO 0.42 -0.73 0.00 0.41 -0.10 0.00 0.00 175.22 175.22 2vup n GLY 72 N 3.02 0.51 3.63 4.36 0.00 -1.26 -3.42 105.19 112.04 2vup n GLY 72 Ca 0.06 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2vup n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vup n GLY 73 N -1.90 -0.49 0.96 -0.02 0.00 -1.24 -4.90 105.19 97.59 2vup n GLY 73 Ca -0.02 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2vup n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vup n GLN 74 N -4.77 2.21 -3.20 1.61 6.02 -1.22 -4.07 117.38 113.95 2vup n GLN 74 Ca -0.05 -1.87 -0.24 0.00 -0.01 0.00 0.00 57.00 54.83 2vup n GLN 74 Cb 0.58 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.37 2vup n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2vup n GLU 75 N 1.01 1.88 0.13 -1.09 4.07 -1.26 -1.79 120.64 123.60 2vup n GLU 75 Ca 0.17 -4.06 0.01 0.00 -0.06 0.00 0.00 57.16 53.22 2vup n GLU 75 Cb 0.44 -1.86 0.08 0.00 -0.06 0.00 0.00 31.44 30.04 2vup n GLU 75 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2vup h PRO 76 N 3.62 0.00 -7.34 5.31 0.13 -1.94 -3.41 132.00 128.37 2vup h PRO 76 Ca 0.13 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.76 2vup h PRO 76 Cb 0.75 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.01 2vup h PRO 76 CO 0.66 0.60 0.29 0.20 -0.23 0.00 0.00 178.00 179.53 2vup s GLY 77 N -4.50 1.64 0.85 1.56 0.00 -1.26 -5.05 107.32 100.56 2vup s GLY 77 Ca 0.02 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 2vup s GLY 77 CO 0.75 0.45 1.18 0.54 0.00 0.00 0.00 173.10 176.02 2vup s ASN 78 N -3.52 4.09 0.28 1.64 2.20 -1.26 -4.82 114.94 113.55 2vup s ASN 78 Ca 0.62 0.77 -0.02 0.00 -0.94 0.00 0.00 52.86 53.28 2vup s ASN 78 Cb -0.17 -1.23 0.41 0.00 -2.00 0.00 0.00 41.25 38.26 2vup s ASN 78 CO 0.56 -2.16 1.93 -0.33 -2.94 0.00 0.00 177.10 174.15 2vup h GLU 79 N -1.24 1.14 -0.32 3.55 3.07 -1.96 -0.97 114.58 117.86 2vup h GLU 79 Ca -0.47 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.22 2vup h GLU 79 Cb 1.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2vup h GLU 79 CO 0.62 0.75 -0.22 1.05 -1.40 0.00 0.00 179.01 179.82 2vup h GLU 80 N 1.18 0.60 -0.48 2.33 9.09 -1.94 0.24 114.58 125.60 2vup h GLU 80 Ca 0.37 -0.22 -0.09 0.00 0.05 0.00 0.00 59.36 59.47 2vup h GLU 80 Cb 0.01 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 2vup h GLU 80 CO -0.11 0.78 -0.05 0.93 0.05 0.00 0.00 179.01 180.60 2vup h GLU 81 N 0.53 0.89 -0.06 1.06 5.08 -1.77 -2.06 114.58 118.25 2vup h GLU 81 Ca 0.08 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2vup h GLU 81 Cb 0.67 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2vup h GLU 81 CO 0.05 0.95 0.03 0.82 -1.00 0.00 0.00 179.01 179.86 2vup h ILE 82 N 0.74 1.14 -0.71 3.13 2.04 -0.90 -1.38 117.51 121.57 2vup h ILE 82 Ca 0.13 -0.42 0.14 0.00 1.00 0.00 0.00 64.86 65.71 2vup h ILE 82 Cb 0.59 1.30 -0.10 0.00 -0.74 0.00 0.00 36.82 37.87 2vup h ILE 82 CO 0.04 0.12 0.21 0.11 0.00 0.00 0.00 178.15 178.62 2vup h LYS 83 N -0.05 0.32 0.10 2.37 1.57 -0.47 -1.30 116.57 119.10 2vup h LYS 83 Ca 0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2vup h LYS 83 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2vup h LYS 83 CO -0.00 0.21 -0.05 1.49 -0.57 0.00 0.00 179.45 180.53 2vup h GLU 84 N 0.33 -0.13 -0.49 3.15 4.57 -1.20 -2.79 114.58 118.02 2vup h GLU 84 Ca 0.39 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.67 2vup h GLU 84 Cb 0.61 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.15 2vup h GLU 84 CO -0.44 0.29 -0.06 0.35 -1.18 0.00 0.00 179.01 177.96 2vup h PHE 85 N -0.59 -0.15 -0.76 0.92 3.57 -1.07 -1.23 116.94 117.62 2vup h PHE 85 Ca -0.01 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2vup h PHE 85 Cb 0.48 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 2vup h PHE 85 CO 0.07 -0.17 0.30 0.28 -2.23 0.00 0.00 178.31 176.56 2vup h VAL 86 N 0.05 1.25 0.17 1.41 2.07 -1.27 -1.80 116.25 118.13 2vup h VAL 86 Ca 0.24 -0.81 -0.31 0.00 0.82 0.00 0.00 66.70 66.65 2vup h VAL 86 Cb 0.37 0.35 0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2vup h VAL 86 CO -0.46 0.33 -1.32 0.00 0.02 0.00 0.00 177.57 176.13 2vup h THR 88 N 0.18 1.30 0.18 0.00 1.35 -1.17 -2.71 112.91 112.03 2vup h THR 88 Ca -0.20 -1.38 -0.30 0.00 -0.55 0.00 0.00 66.41 63.99 2vup h THR 88 Cb 2.01 1.51 0.02 0.00 -1.73 0.00 0.00 68.15 69.95 2vup h THR 88 CO 0.24 0.44 -1.43 0.11 -0.25 0.00 0.00 175.52 174.64 2vup h LYS 89 N 0.46 0.38 0.00 4.72 1.57 -1.46 -3.41 116.57 118.83 2vup h LYS 89 Ca 0.06 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2vup h LYS 89 Cb 0.79 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2vup h LYS 89 CO 0.06 1.31 -0.58 1.19 -0.57 0.00 0.00 179.45 180.86 2vup n PHE 90 N -3.81 0.00 -2.99 -1.35 3.72 -1.03 -5.00 117.46 107.00 2vup n PHE 90 Ca -0.21 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.98 2vup n PHE 90 Cb 0.99 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 39.53 2vup n PHE 90 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2vup n LYS 91 N -1.31 -4.75 -2.48 -1.08 4.01 -1.02 -4.95 118.16 106.58 2vup n LYS 91 Ca 0.00 0.88 -0.43 0.00 -0.51 0.00 0.00 58.31 58.26 2vup n LYS 91 Cb 0.11 -5.67 -0.02 0.00 -0.51 0.00 0.00 35.03 28.94 2vup n LYS 91 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2vup s ALA 92 N -3.16 3.62 -1.33 7.82 0.00 -1.23 -4.89 121.76 122.59 2vup s ALA 92 Ca 0.29 0.44 0.14 0.00 0.00 0.00 0.00 51.96 52.84 2vup s ALA 92 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2vup s ALA 92 CO 0.36 -1.05 0.79 0.39 0.00 0.00 0.00 175.76 176.26 2vup n GLU 93 N 6.22 1.73 -1.61 0.00 1.02 -1.26 -4.58 120.64 122.16 2vup n GLU 93 Ca 0.13 -0.81 -0.31 0.00 -0.02 0.00 0.00 57.16 56.14 2vup n GLU 93 Cb 0.45 -1.21 0.05 0.00 -0.02 0.00 0.00 31.44 30.71 2vup n GLU 93 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2vup s PHE 94 N -1.63 2.99 0.13 -0.32 -0.71 -1.26 -4.97 117.98 112.20 2vup s PHE 94 Ca 0.12 1.46 -0.31 0.00 -1.04 0.00 0.00 56.93 57.16 2vup s PHE 94 Cb 0.11 -2.94 -0.10 0.00 -1.21 0.00 0.00 43.02 38.88 2vup s PHE 94 CO 0.33 -1.32 1.74 -2.14 -1.34 0.00 0.00 175.22 172.48 2vup s PRO 95 N -4.82 4.16 -0.20 1.99 0.02 -1.24 -4.94 135.00 129.97 2vup s PRO 95 Ca 0.60 2.51 -0.09 0.00 0.02 0.00 0.00 61.00 64.04 2vup s PRO 95 Cb -0.15 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 2vup s PRO 95 CO 0.52 -0.77 0.10 0.42 -0.33 0.00 0.00 177.00 176.93 2vup s ILE 96 N 2.23 5.06 0.59 2.83 -1.09 -1.26 -2.07 121.20 127.48 2vup s ILE 96 Ca 0.77 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 59.28 2vup s ILE 96 Cb -0.45 -3.30 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 2vup s ILE 96 CO 0.34 0.43 0.82 -0.04 -1.23 0.00 0.00 174.94 175.26 2vup s MET 97 N 0.51 2.28 0.51 2.79 -1.94 0.42 -1.79 119.30 122.08 2vup s MET 97 Ca 0.05 -1.04 -0.21 0.00 -1.71 0.00 0.00 55.69 52.78 2vup s MET 97 Cb -0.12 -2.49 -0.06 0.00 2.01 0.00 0.00 34.83 34.17 2vup s MET 97 CO 0.00 -0.91 1.17 0.00 -0.01 0.00 0.00 175.02 175.28 2vup s ALA 98 N -2.82 2.80 0.37 3.03 0.00 -0.39 -3.88 121.76 120.88 2vup s ALA 98 Ca 0.60 0.93 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 2vup s ALA 98 Cb -0.08 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 2vup s ALA 98 CO 0.40 -0.81 1.43 1.63 0.00 0.00 0.00 175.76 178.40 2vup n LYS 99 N -0.97 2.49 -4.12 0.00 5.02 -1.26 -4.38 118.16 114.93 2vup n LYS 99 Ca 0.10 0.87 -0.11 0.00 -2.02 0.00 0.00 58.31 57.16 2vup n LYS 99 Cb 0.49 -2.57 -0.08 0.00 -0.02 0.00 0.00 35.03 32.85 2vup n LYS 99 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2vup s ILE 100 N -1.12 0.02 -0.06 -0.18 -4.36 -0.56 -4.99 121.20 109.95 2vup s ILE 100 Ca 0.54 -1.77 -0.13 0.00 -0.26 0.00 0.00 60.65 59.03 2vup s ILE 100 Cb -0.50 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 40.86 2vup s ILE 100 CO 0.63 -0.09 0.34 0.20 0.24 0.00 0.00 174.94 176.26 2vup s ASN 101 N -3.09 6.65 -0.05 4.36 -0.87 -1.26 -4.33 114.94 116.35 2vup s ASN 101 Ca 0.31 0.78 0.20 0.00 -1.57 0.00 0.00 52.86 52.57 2vup s ASN 101 Cb 0.05 -2.20 -0.31 0.00 -0.02 0.00 0.00 41.25 38.77 2vup s ASN 101 CO 0.09 0.29 0.40 1.33 -2.57 0.00 0.00 177.10 176.63 2vup n VAL 102 N 2.25 0.16 -4.35 1.60 0.24 -1.26 -1.08 118.33 115.89 2vup n VAL 102 Ca -0.14 -0.51 -0.24 0.00 -2.04 0.00 0.00 64.34 61.41 2vup n VAL 102 Cb 0.53 -0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.75 2vup n VAL 102 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2vup s ASN 103 N -4.46 2.86 0.00 -1.34 0.01 -1.26 -4.73 114.94 106.01 2vup s ASN 103 Ca -0.08 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.25 2vup s ASN 103 Cb 0.12 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.60 2vup s ASN 103 CO 0.84 0.03 0.00 0.61 -1.51 0.00 0.00 177.10 177.06 2vup n GLY 104 N 0.46 -1.80 0.30 0.66 0.00 -1.26 -3.85 105.19 99.69 2vup n GLY 104 Ca -0.14 -1.85 0.18 0.00 0.00 0.00 0.00 46.02 44.21 2vup n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vup h GLU 105 N 0.00 0.00 -0.36 1.61 5.08 -2.01 -1.96 114.58 116.94 2vup h GLU 105 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vup h GLU 105 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vup h GLU 105 CO 0.00 0.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 2vup n ASN 106 N -3.17 3.65 -4.71 1.42 3.02 -1.26 -5.01 115.26 109.20 2vup n ASN 106 Ca -0.01 -2.50 -0.43 0.00 -0.03 0.00 0.00 54.58 51.61 2vup n ASN 106 Cb 0.22 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 2vup n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vup n ALA 107 N 0.20 2.17 -1.69 5.41 0.00 -0.74 -4.35 120.51 121.52 2vup n ALA 107 Ca 0.18 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.58 2vup n ALA 107 Cb 0.70 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 2vup n ALA 107 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2vup n HIS 108 N 2.86 2.26 -0.34 0.00 -0.00 -0.24 -4.82 115.22 114.95 2vup n HIS 108 Ca 0.13 0.45 0.12 0.00 0.46 0.00 0.00 57.72 58.87 2vup n HIS 108 Cb 0.34 -2.46 0.30 0.00 -0.12 0.00 0.00 29.99 28.05 2vup n HIS 108 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2vup h PRO 109 N 3.81 0.70 -0.91 1.57 0.11 -1.92 -1.41 132.00 133.96 2vup h PRO 109 Ca -0.45 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2vup h PRO 109 Cb 1.27 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 2vup h PRO 109 CO 0.72 0.47 0.59 1.25 -0.21 0.00 0.00 178.00 180.82 2vup h LEU 110 N 0.73 0.97 -0.50 2.35 5.85 -1.93 -1.83 115.31 120.94 2vup h LEU 110 Ca 0.56 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 59.14 2vup h LEU 110 Cb 0.86 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2vup h LEU 110 CO -0.39 0.66 -0.22 1.88 -0.34 0.00 0.00 178.44 180.03 2vup h TYR 111 N 1.13 1.13 -0.85 1.25 0.05 -1.64 -1.69 116.97 116.34 2vup h TYR 111 Ca 0.37 -0.28 0.03 0.00 0.05 0.00 0.00 58.73 58.90 2vup h TYR 111 Cb 0.03 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.45 2vup h TYR 111 CO -0.02 1.10 0.56 0.93 -1.05 0.00 0.00 178.16 179.69 2vup h GLU 112 N 0.85 1.04 -0.12 4.88 4.39 -1.00 -0.19 114.58 124.42 2vup h GLU 112 Ca 0.11 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2vup h GLU 112 Cb 0.80 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2vup h GLU 112 CO 0.07 0.69 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.67 2vup h TYR 113 N 1.07 0.24 -0.52 4.33 3.20 -1.20 -2.24 116.97 121.85 2vup h TYR 113 Ca 0.34 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2vup h TYR 113 Cb 0.02 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2vup h TYR 113 CO -0.00 0.48 0.17 0.52 -1.64 0.00 0.00 178.16 177.69 2vup h MET 114 N -0.06 0.81 -0.62 1.82 2.86 -0.98 -0.59 114.93 118.16 2vup h MET 114 Ca 0.03 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2vup h MET 114 Cb 0.39 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2vup h MET 114 CO 0.01 0.74 0.04 0.87 1.06 0.00 0.00 176.91 179.63 2vup h LYS 115 N 0.71 1.06 -0.28 1.72 1.57 -1.10 0.17 116.57 120.42 2vup h LYS 115 Ca 0.17 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 2vup h LYS 115 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2vup h LYS 115 CO -0.01 1.01 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.49 2vup h LYS 116 N 0.98 0.62 0.10 3.15 3.64 -1.31 -2.78 116.57 120.97 2vup h LYS 116 Ca 0.18 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2vup h LYS 116 Cb 0.51 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2vup h LYS 116 CO 0.02 0.87 -0.05 1.15 -2.27 0.00 0.00 179.45 179.18 2vup h THR 117 N 0.35 0.98 -3.19 1.00 2.02 -0.93 -3.38 112.91 109.76 2vup h THR 117 Ca 0.06 -0.28 -0.63 0.00 0.77 0.00 0.00 66.41 66.33 2vup h THR 117 Cb 0.71 1.16 -0.41 0.00 -1.74 0.00 0.00 68.15 67.88 2vup h THR 117 CO 0.05 0.07 -0.63 -0.54 0.37 0.00 0.00 175.52 174.84 2vup s LYS 118 N -5.65 2.06 0.95 6.66 -0.14 0.57 -5.06 119.74 119.12 2vup s LYS 118 Ca -0.14 -2.83 -0.11 0.00 -1.36 0.00 0.00 55.97 51.53 2vup s LYS 118 Cb 0.05 -3.19 0.16 0.00 -1.68 0.00 0.00 37.83 33.17 2vup s LYS 118 CO 0.65 -1.19 1.09 -2.14 -0.76 0.00 0.00 175.35 173.00 2vup s PRO 119 N -0.67 0.81 0.00 -1.68 0.02 -1.05 -4.57 135.00 127.87 2vup s PRO 119 Ca 0.21 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.26 2vup s PRO 119 Cb -0.16 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2vup s PRO 119 CO -0.07 -2.61 0.00 0.41 -0.33 0.00 0.00 177.00 174.40 2vup n GLY 120 N -0.40 1.51 3.67 0.52 0.00 0.24 -4.85 105.19 105.87 2vup n GLY 120 Ca 0.07 -1.75 -0.45 0.00 0.00 0.00 0.00 46.02 43.89 2vup n GLY 120 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2vup n ILE 121 N 0.00 0.80 -4.02 -0.61 3.06 -1.26 -1.89 119.36 115.44 2vup n ILE 121 Ca 0.00 -0.20 -0.30 0.00 -2.50 0.00 0.00 62.75 59.75 2vup n ILE 121 Cb 0.00 -1.46 -0.01 0.00 0.54 0.00 0.00 39.64 38.71 2vup n ILE 121 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2vup n LEU 122 N 2.33 -2.19 -0.99 9.51 4.77 -1.26 -1.29 117.00 127.88 2vup n LEU 122 Ca 0.12 -0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 2vup n LEU 122 Cb 0.31 -2.30 -0.05 0.00 -2.33 0.00 0.00 43.42 39.05 2vup n LEU 122 CO 0.63 0.39 -0.11 0.29 -1.33 0.00 0.00 177.39 177.25 2vup n LYS 123 N -4.46 -1.62 -2.61 3.23 5.02 -0.79 -4.97 118.16 111.96 2vup n LYS 123 Ca -0.07 0.87 -0.40 0.00 -2.02 0.00 0.00 58.31 56.69 2vup n LYS 123 Cb 0.57 -5.19 -0.05 0.00 -0.02 0.00 0.00 35.03 30.33 2vup n LYS 123 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2vup s THR 124 N -1.98 3.77 0.03 -0.18 -4.23 -0.41 -4.66 115.64 107.98 2vup s THR 124 Ca 0.00 1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 62.22 2vup s THR 124 Cb 0.00 -4.13 -0.30 0.00 1.34 0.00 0.00 72.50 69.41 2vup s THR 124 CO 0.00 0.42 0.96 0.11 -0.54 0.00 0.00 174.62 175.56 2vup h LYS 125 N 3.95 0.33 -6.63 3.99 6.56 -1.89 0.69 116.57 123.58 2vup h LYS 125 Ca -0.46 -0.57 -0.58 0.00 -1.06 0.00 0.00 60.65 57.98 2vup h LYS 125 Cb 1.21 0.21 0.10 0.00 -0.57 0.00 0.00 32.23 33.18 2vup h LYS 125 CO 0.67 1.24 0.49 0.00 -2.06 0.00 0.00 179.45 179.79 2vup n ALA 126 N -2.66 0.94 -2.01 3.86 0.00 -1.26 -4.60 120.51 114.78 2vup n ALA 126 Ca -0.15 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 2vup n ALA 126 Cb 1.05 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 2vup n ALA 126 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vup s ILE 127 N -0.62 3.05 -0.08 0.00 -1.09 -1.26 -4.78 121.20 116.41 2vup s ILE 127 Ca 0.62 0.82 0.15 0.00 -2.23 0.00 0.00 60.65 60.00 2vup s ILE 127 Cb -0.63 -3.52 -0.20 0.00 -1.58 0.00 0.00 42.46 36.52 2vup s ILE 127 CO 0.56 0.10 0.65 0.29 -1.23 0.00 0.00 174.94 175.32 2vup n LYS 128 N 3.07 0.63 -3.82 2.79 4.76 -1.26 -4.98 118.16 119.36 2vup n LYS 128 Ca 0.09 0.23 -0.05 0.00 -2.87 0.00 0.00 58.31 55.70 2vup n LYS 128 Cb 0.42 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2vup n LYS 128 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2vup s TRP 129 N -2.71 -0.10 0.54 2.13 -0.11 -1.26 -5.05 118.94 112.38 2vup s TRP 129 Ca -0.05 -0.32 -0.20 0.00 1.22 0.00 0.00 56.10 56.74 2vup s TRP 129 Cb 0.08 0.70 -0.06 0.00 -1.50 0.00 0.00 33.47 32.69 2vup s TRP 129 CO 0.82 -1.10 1.02 0.09 -4.62 0.00 0.00 176.95 173.17 2vup n ASN 130 N -0.66 1.13 -0.59 5.86 3.02 -1.26 -3.61 115.26 119.15 2vup n ASN 130 Ca -0.05 0.89 -0.07 0.00 -0.03 0.00 0.00 54.58 55.31 2vup n ASN 130 Cb 0.60 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 2vup n ASN 130 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2vup n PHE 131 N -1.29 -0.03 -2.18 3.10 3.72 0.10 -4.63 117.46 116.26 2vup n PHE 131 Ca 0.12 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.12 2vup n PHE 131 Cb 0.45 -1.60 -0.02 0.00 -0.94 0.00 0.00 39.48 37.37 2vup n PHE 131 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2vup s THR 132 N -2.28 2.87 0.05 4.37 2.01 -1.24 -3.64 115.64 117.79 2vup s THR 132 Ca 0.00 0.80 0.04 0.00 0.31 0.00 0.00 61.69 62.83 2vup s THR 132 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2vup s THR 132 CO 0.00 0.13 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.00 2vup s SER 133 N -0.82 1.31 -0.09 3.53 1.04 -0.87 -2.38 113.70 115.42 2vup s SER 133 Ca 0.54 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.44 2vup s SER 133 Cb -0.36 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 2vup s SER 133 CO 0.46 -0.11 -0.18 -0.36 0.98 0.00 0.00 173.24 174.03 2vup s PHE 134 N -1.23 2.66 -0.07 5.02 0.08 -0.46 0.31 117.98 124.29 2vup s PHE 134 Ca -0.05 -0.65 -0.18 0.00 0.12 0.00 0.00 56.93 56.17 2vup s PHE 134 Cb -0.09 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 2vup s PHE 134 CO 0.01 -0.18 0.49 -1.17 -0.10 0.00 0.00 175.22 174.27 2vup s LEU 135 N 0.05 4.34 -0.05 -0.37 2.96 0.33 -1.01 118.68 124.93 2vup s LEU 135 Ca -0.07 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 54.81 2vup s LEU 135 Cb -0.15 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 2vup s LEU 135 CO 0.05 0.08 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.32 2vup s ILE 136 N 0.17 2.49 0.49 6.68 -1.09 0.46 0.00 121.20 130.40 2vup s ILE 136 Ca 0.27 -0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 57.73 2vup s ILE 136 Cb -0.16 -1.93 0.10 0.00 -1.58 0.00 0.00 42.46 38.89 2vup s ILE 136 CO 0.12 0.58 0.67 -0.90 -1.23 0.00 0.00 174.94 174.18 2vup n ASP 137 N 2.60 0.65 0.30 3.58 5.68 0.23 -1.91 116.55 127.69 2vup n ASP 137 Ca -0.17 -1.61 0.20 0.00 -0.50 0.00 0.00 54.79 52.71 2vup n ASP 137 Cb 0.52 -0.46 0.90 0.00 -1.14 0.00 0.00 41.12 40.94 2vup n ASP 137 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2vup h ARG 138 N 0.00 0.00 -0.20 0.11 3.08 -1.86 -0.53 114.38 114.99 2vup h ARG 138 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2vup h ARG 138 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2vup h ARG 138 CO 0.21 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.86 2vup n ASP 139 N -3.08 2.14 -0.39 7.04 8.00 -1.26 -1.68 116.55 127.33 2vup n ASP 139 Ca -0.01 -1.78 -0.04 0.00 0.71 0.00 0.00 54.79 53.68 2vup n ASP 139 Cb 0.21 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 2vup n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vup n GLY 140 N 1.23 0.38 3.57 0.44 0.00 -0.21 -4.74 105.19 105.86 2vup n GLY 140 Ca 0.17 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 2vup n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vup s VAL 141 N -2.17 4.51 0.06 1.61 1.01 -1.26 -0.27 120.40 123.88 2vup s VAL 141 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 2vup s VAL 141 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 2vup s VAL 141 CO 0.00 0.44 1.44 -2.84 0.00 0.00 0.00 175.10 174.14 2vup s PRO 142 N 0.63 4.28 -0.03 2.72 0.02 -1.26 -0.60 135.00 140.77 2vup s PRO 142 Ca 0.02 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.20 2vup s PRO 142 Cb -0.13 -3.44 -0.14 0.00 0.02 0.00 0.00 34.50 30.81 2vup s PRO 142 CO 0.02 -0.54 0.16 1.33 -0.33 0.00 0.00 177.00 177.64 2vup n VAL 143 N 4.37 0.14 -3.85 3.83 0.24 0.10 -4.78 118.33 118.39 2vup n VAL 143 Ca 0.13 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 2vup n VAL 143 Cb 0.43 0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.70 2vup n VAL 143 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2vup s GLU 144 N -2.54 0.20 -0.20 7.34 0.41 -1.16 -4.99 118.70 117.77 2vup s GLU 144 Ca -0.04 0.02 -0.09 0.00 -0.41 0.00 0.00 54.97 54.45 2vup s GLU 144 Cb 0.05 0.09 -0.05 0.00 -1.78 0.00 0.00 34.13 32.45 2vup s GLU 144 CO 0.38 -0.03 0.11 0.50 -0.49 0.00 0.00 175.26 175.73 2vup s ARG 145 N -0.27 4.09 -0.04 1.61 3.52 -1.26 -0.51 118.95 126.09 2vup s ARG 145 Ca -0.03 -0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.29 2vup s ARG 145 Cb -0.03 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2vup s ARG 145 CO 0.00 0.24 0.01 -0.06 -0.81 0.00 0.00 175.30 174.68 2vup s PHE 146 N 0.52 3.15 0.59 5.12 0.08 0.15 -5.00 117.98 122.59 2vup s PHE 146 Ca 0.06 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 2vup s PHE 146 Cb -0.12 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2vup s PHE 146 CO -0.00 0.48 1.04 -1.12 -0.10 0.00 0.00 175.22 175.52 2vup s SER 147 N -1.24 5.94 0.25 1.36 0.01 -1.26 -2.05 113.70 116.71 2vup s SER 147 Ca 0.17 1.74 -0.31 0.00 1.31 0.00 0.00 55.95 58.86 2vup s SER 147 Cb -0.11 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.46 2vup s SER 147 CO 0.07 -1.06 1.36 -2.65 0.41 0.00 0.00 173.24 171.37 2vup n PRO 148 N -2.04 1.98 0.00 12.44 -0.02 -1.24 -1.64 135.00 144.48 2vup n PRO 148 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2vup n PRO 148 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2vup n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vup n GLY 149 N 1.89 1.36 3.64 -1.23 0.00 -1.26 -5.01 105.19 104.58 2vup n GLY 149 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.64 2vup n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vup n ALA 150 N -1.60 0.43 -2.00 4.61 0.00 -0.65 -4.95 120.51 116.35 2vup n ALA 150 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 2vup n ALA 150 Cb 0.00 -2.24 0.05 0.00 0.00 0.00 0.00 19.45 17.26 2vup n ALA 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2vup s SER 151 N 0.69 5.28 0.18 0.00 1.04 -1.26 -4.91 113.70 114.72 2vup s SER 151 Ca 0.80 0.70 -0.18 0.00 0.48 0.00 0.00 55.95 57.75 2vup s SER 151 Cb -0.78 -1.54 0.12 0.00 0.10 0.00 0.00 66.02 63.92 2vup s SER 151 CO 0.42 -1.31 1.64 0.58 0.98 0.00 0.00 173.24 175.56 2vup h VAL 152 N -0.41 0.45 -0.55 5.02 2.07 -1.92 -1.72 116.25 119.19 2vup h VAL 152 Ca -0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2vup h VAL 152 Cb 1.28 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2vup h VAL 152 CO 0.61 0.00 0.00 0.07 0.02 0.00 0.00 177.57 178.28 2vup h LYS 153 N -0.08 0.93 -0.44 1.57 -0.00 -1.98 0.14 116.57 116.71 2vup h LYS 153 Ca 0.21 -0.27 0.03 0.00 -0.00 0.00 0.00 60.65 60.62 2vup h LYS 153 Cb 0.40 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.23 32.50 2vup h LYS 153 CO -0.49 0.92 0.24 -0.44 -0.00 0.00 0.00 179.45 179.68 2vup h ASP 154 N 0.86 0.36 -0.04 7.07 3.32 -1.86 -2.57 116.42 123.57 2vup h ASP 154 Ca 0.16 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.01 2vup h ASP 154 Cb 0.50 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.00 2vup h ASP 154 CO 0.02 0.26 -0.79 0.40 -1.72 0.00 0.00 179.24 177.41 2vup h ILE 155 N 0.48 1.30 -0.60 0.35 2.04 -0.94 -3.12 117.51 117.02 2vup h ILE 155 Ca 0.18 -2.04 0.07 0.00 1.00 0.00 0.00 64.86 64.07 2vup h ILE 155 Cb 0.06 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2vup h ILE 155 CO -0.11 0.64 0.40 -0.33 0.00 0.00 0.00 178.15 178.75 2vup h GLU 156 N 0.47 0.54 -1.24 2.37 5.08 -0.70 -0.23 114.58 120.88 2vup h GLU 156 Ca -0.05 -0.03 0.36 0.00 -1.00 0.00 0.00 59.36 58.63 2vup h GLU 156 Cb 1.41 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 2vup h GLU 156 CO 0.16 0.36 0.83 -0.22 -1.00 0.00 0.00 179.01 179.14 2vup h LYS 157 N 0.56 0.16 0.00 2.33 1.63 -1.39 -1.24 116.57 118.62 2vup h LYS 157 Ca 0.26 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.78 2vup h LYS 157 Cb 0.33 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 2vup h LYS 157 CO -0.08 0.11 -2.02 1.63 -3.45 0.00 0.00 179.45 175.63 2vup n LYS 158 N -4.47 1.24 -0.09 1.90 4.76 -0.70 -4.61 118.16 116.20 2vup n LYS 158 Ca 0.30 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 2vup n LYS 158 Cb 1.23 -1.38 -0.04 0.00 -1.84 0.00 0.00 35.03 33.01 2vup n LYS 158 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2vup h LEU 159 N 0.00 0.65 0.43 -0.35 5.85 -0.57 -3.04 115.31 118.28 2vup h LEU 159 Ca -0.40 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 57.87 2vup h LEU 159 Cb 1.82 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2vup h LEU 159 CO -0.01 0.95 -0.33 0.40 -0.34 0.00 0.00 178.44 179.11 2vup h ILE 160 N 0.36 0.31 -0.65 4.05 2.04 -1.50 0.12 117.51 122.24 2vup h ILE 160 Ca 0.06 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.05 2vup h ILE 160 Cb 0.73 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2vup h ILE 160 CO 0.05 0.00 0.44 -0.65 0.00 0.00 0.00 178.15 178.00 2vup h PRO 161 N -0.76 0.29 -0.24 2.37 0.11 -1.79 -2.15 132.00 129.84 2vup h PRO 161 Ca -0.04 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 2vup h PRO 161 Cb 0.65 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2vup h PRO 161 CO -0.00 0.19 -0.03 1.25 -0.21 0.00 0.00 178.00 179.20 2vup h LEU 162 N 0.30 0.44 -1.18 2.35 5.85 -1.24 -2.91 115.31 118.91 2vup h LEU 162 Ca 0.31 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2vup h LEU 162 Cb 0.81 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2vup h LEU 162 CO -0.08 0.67 0.39 -0.07 -0.34 0.00 0.00 178.44 179.02 2vup h LEU 163 N 0.19 0.85 -1.11 2.25 3.38 -0.38 -2.40 115.31 118.09 2vup h LEU 163 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vup h LEU 163 Cb 0.47 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2vup h LEU 163 CO 0.02 0.68 0.00 -0.33 0.09 0.00 0.00 178.44 178.89 2vup h GLU 164 N 0.97 0.00 -7.52 1.13 5.08 -1.34 -3.45 114.58 109.44 2vup h GLU 164 Ca 0.25 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.19 2vup h GLU 164 Cb 0.00 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.44 2vup h GLU 164 CO -0.04 0.00 0.22 -1.54 -1.00 0.00 0.00 179.01 176.64 2vup s SER 165 N -5.16 1.51 0.00 1.42 1.04 -0.90 -5.11 113.70 106.49 2vup s SER 165 Ca 0.03 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2vup s SER 165 Cb 0.09 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2vup s SER 165 CO 0.49 -3.75 0.00 0.35 0.98 0.00 0.00 173.24 171.31