#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oyp s ARG 2 N 0.00 3.84 0.20 2.12 0.52 -1.20 -4.99 118.95 119.45 1oyp s ARG 2 Ca 0.00 0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 55.41 1oyp s ARG 2 Cb 0.00 -2.79 0.18 0.00 0.52 0.00 0.00 34.95 32.85 1oyp s ARG 2 CO 0.00 0.41 1.82 0.45 0.02 0.00 0.00 175.30 178.00 1oyp h HIS 3 N 3.03 0.67 -0.05 -0.53 3.86 -2.01 0.35 115.15 120.47 1oyp h HIS 3 Ca -0.48 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.77 1oyp h HIS 3 Cb 1.18 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 1oyp h HIS 3 CO 0.63 0.36 0.07 0.22 0.86 0.00 0.00 177.93 180.07 1oyp h ASP 4 N 0.69 0.00 0.00 2.45 3.58 -2.01 -3.45 116.42 117.69 1oyp h ASP 4 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1oyp h ASP 4 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1oyp h ASP 4 CO -0.13 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.84 1oyp n GLY 5 N -1.29 0.53 3.62 -0.78 0.00 0.12 -5.09 105.19 102.31 1oyp n GLY 5 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1oyp n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1oyp n ARG 6 N -1.89 0.65 -2.10 1.61 1.85 -1.26 -4.79 116.66 110.74 1oyp n ARG 6 Ca 0.00 -2.97 -0.28 0.00 -1.00 0.00 0.00 57.85 53.60 1oyp n ARG 6 Cb 0.00 -0.11 0.12 0.00 -1.05 0.00 0.00 32.46 31.43 1oyp n ARG 6 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1oyp s GLN 7 N -4.38 1.50 0.09 2.89 -0.21 -1.26 -3.22 119.66 115.07 1oyp s GLN 7 Ca 0.51 -0.36 -0.22 0.00 0.02 0.00 0.00 55.36 55.30 1oyp s GLN 7 Cb -0.04 -2.03 -0.13 0.00 1.00 0.00 0.00 33.01 31.81 1oyp s GLN 7 CO 0.32 -1.77 1.69 0.45 -2.12 0.00 0.00 175.29 173.86 1oyp h HIS 8 N -1.06 0.09 -0.94 0.91 3.86 -1.97 -3.04 115.15 113.00 1oyp h HIS 8 Ca -0.44 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.17 1oyp h HIS 8 Cb 1.28 -0.03 -0.28 0.00 1.06 0.00 0.00 27.41 29.45 1oyp h HIS 8 CO -0.29 0.12 0.78 -0.40 0.86 0.00 0.00 177.93 179.00 1oyp n ASP 9 N -5.01 6.70 -4.41 2.45 3.85 -1.26 -1.89 116.55 116.98 1oyp n ASP 9 Ca -0.06 -3.66 -0.33 0.00 -0.71 0.00 0.00 54.79 50.04 1oyp n ASP 9 Cb 0.06 -0.95 -0.14 0.00 -1.35 0.00 0.00 41.12 38.74 1oyp n ASP 9 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1oyp s GLU 10 N -3.47 2.80 0.46 0.11 2.12 -1.15 -4.96 118.70 114.60 1oyp s GLU 10 Ca 0.59 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 55.14 1oyp s GLU 10 Cb 0.47 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 1oyp s GLU 10 CO 0.02 0.45 0.77 -0.51 -0.54 0.00 0.00 175.26 175.44 1oyp s LEU 11 N -0.28 3.68 0.59 2.70 1.43 -1.26 -4.69 118.68 120.85 1oyp s LEU 11 Ca 0.02 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.92 1oyp s LEU 11 Cb -0.13 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 1oyp s LEU 11 CO 0.03 -0.53 1.03 -0.13 0.23 0.00 0.00 176.35 176.98 1oyp s ARG 12 N -4.54 3.51 -0.10 1.70 0.52 -1.26 -4.92 118.95 113.86 1oyp s ARG 12 Ca 0.48 0.97 -0.36 0.00 -0.52 0.00 0.00 55.73 56.30 1oyp s ARG 12 Cb -0.10 -2.07 -0.13 0.00 0.52 0.00 0.00 34.95 33.17 1oyp s ARG 12 CO 0.42 -0.64 1.81 -2.30 0.02 0.00 0.00 175.30 174.60 1oyp n PRO 13 N -2.27 1.92 -4.73 3.54 -0.02 -1.26 -4.61 135.00 127.57 1oyp n PRO 13 Ca 0.07 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 1oyp n PRO 13 Cb 0.54 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1oyp n PRO 13 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1oyp s ILE 14 N 3.55 3.26 0.03 4.25 1.01 -1.26 -1.97 121.20 130.08 1oyp s ILE 14 Ca 0.92 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1oyp s ILE 14 Cb -0.78 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1oyp s ILE 14 CO 0.53 0.55 -0.06 0.42 0.00 0.00 0.00 174.94 176.38 1oyp s THR 15 N -0.09 0.44 -0.24 2.92 -4.23 -0.66 -5.00 115.64 108.78 1oyp s THR 15 Ca -0.01 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1oyp s THR 15 Cb -0.14 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 73.27 1oyp s THR 15 CO 0.03 -0.30 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.38 1oyp s PHE 16 N -1.14 2.70 -0.71 3.99 0.08 -1.26 -1.63 117.98 120.02 1oyp s PHE 16 Ca -0.08 -1.96 -0.18 0.00 0.12 0.00 0.00 56.93 54.83 1oyp s PHE 16 Cb -0.08 -1.70 0.14 0.00 -0.57 0.00 0.00 43.02 40.80 1oyp s PHE 16 CO 0.00 -0.81 0.79 -0.51 -0.10 0.00 0.00 175.22 174.59 1oyp s ASP 17 N 1.29 6.41 0.41 1.36 1.01 -0.73 -4.95 116.67 121.47 1oyp s ASP 17 Ca -0.07 -1.87 -0.25 0.00 0.71 0.00 0.00 52.55 51.07 1oyp s ASP 17 Cb -0.19 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.36 1oyp s ASP 17 CO -0.06 -0.96 1.14 -0.76 0.21 0.00 0.00 175.17 174.74 1oyp s LEU 18 N 2.02 4.15 -1.18 1.23 1.43 -1.26 -1.77 118.68 123.30 1oyp s LEU 18 Ca 0.17 2.27 -0.02 0.00 -1.03 0.00 0.00 54.13 55.52 1oyp s LEU 18 Cb -0.17 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1oyp s LEU 18 CO -0.01 -0.68 0.94 0.47 0.23 0.00 0.00 176.35 177.31 1oyp n ASP 19 N -0.05 -2.99 0.04 2.29 8.00 0.14 -4.92 116.55 119.05 1oyp n ASP 19 Ca 0.05 -0.67 -0.11 0.00 0.71 0.00 0.00 54.79 54.76 1oyp n ASP 19 Cb 0.47 -4.98 -0.06 0.00 -0.02 0.00 0.00 41.12 36.53 1oyp n ASP 19 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1oyp h PHE 20 N -1.72 -0.06 -4.11 1.24 3.57 -1.60 -3.43 116.94 110.83 1oyp h PHE 20 Ca -0.60 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.38 1oyp h PHE 20 Cb 1.34 0.03 -0.25 0.00 2.79 0.00 0.00 35.95 39.85 1oyp h PHE 20 CO 0.41 -0.04 -0.82 0.96 -2.23 0.00 0.00 178.31 176.59 1oyp s ILE 21 N -6.19 1.45 0.18 1.41 -4.36 -1.26 -5.08 121.20 107.36 1oyp s ILE 21 Ca -0.13 -1.13 -0.08 0.00 -0.26 0.00 0.00 60.65 59.05 1oyp s ILE 21 Cb 0.07 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.50 1oyp s ILE 21 CO 0.66 0.12 1.56 0.28 0.24 0.00 0.00 174.94 177.80 1oyp h SER 22 N 4.87 0.90 -0.01 4.36 0.02 -1.99 -3.38 113.55 118.32 1oyp h SER 22 Ca -0.41 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.21 1oyp h SER 22 Cb 1.17 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1oyp h SER 22 CO 0.44 1.12 -0.49 -0.74 -1.14 0.00 0.00 176.83 176.02 1oyp h HIS 23 N 0.74 -1.41 -4.02 3.45 6.17 -1.99 -3.44 115.15 114.64 1oyp h HIS 23 Ca 0.09 0.05 -0.56 0.00 0.71 0.00 0.00 60.37 60.65 1oyp h HIS 23 Cb 0.84 0.62 0.15 0.00 2.52 0.00 0.00 27.41 31.54 1oyp h HIS 23 CO 0.05 -0.54 0.52 -2.30 0.71 0.00 0.00 177.93 176.37 1oyp n PRO 24 N -5.46 1.34 0.16 5.26 -0.02 -1.26 -4.89 135.00 130.13 1oyp n PRO 24 Ca -0.06 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1oyp n PRO 24 Cb 0.39 -2.52 0.51 0.00 -0.02 0.00 0.00 33.50 31.86 1oyp n PRO 24 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1oyp h GLU 25 N 0.90 0.19 -3.07 -0.52 3.07 -1.70 -3.40 114.58 110.06 1oyp h GLU 25 Ca -0.51 -0.02 -0.30 0.00 -0.50 0.00 0.00 59.36 58.04 1oyp h GLU 25 Cb 1.33 -0.04 -0.36 0.00 -0.84 0.00 0.00 28.75 28.84 1oyp h GLU 25 CO 0.54 0.20 -0.64 0.20 -1.40 0.00 0.00 179.01 177.92 1oyp s GLY 26 N -3.98 0.05 -0.09 -3.84 0.00 -0.74 -4.06 107.32 94.66 1oyp s GLY 26 Ca -0.06 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.21 1oyp s GLY 26 CO 0.70 1.69 -0.13 -0.45 0.00 0.00 0.00 173.10 174.92 1oyp s SER 27 N 2.29 2.16 -0.02 1.64 0.15 -1.26 0.46 113.70 119.12 1oyp s SER 27 Ca 0.03 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.33 1oyp s SER 27 Cb -0.12 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 1oyp s SER 27 CO -0.06 -0.01 -0.01 -0.69 1.20 0.00 0.00 173.24 173.67 1oyp s VAL 28 N 1.02 0.23 -0.44 4.45 1.01 0.12 0.26 120.40 127.04 1oyp s VAL 28 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1oyp s VAL 28 Cb -0.15 -0.27 0.11 0.00 0.00 0.00 0.00 36.38 36.07 1oyp s VAL 28 CO -0.01 0.12 0.28 -0.22 0.00 0.00 0.00 175.10 175.27 1oyp s LEU 29 N 0.61 5.45 -0.01 3.92 2.96 -0.73 0.68 118.68 131.57 1oyp s LEU 29 Ca -0.06 -1.89 -0.19 0.00 -0.22 0.00 0.00 54.13 51.77 1oyp s LEU 29 Cb -0.09 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1oyp s LEU 29 CO -0.01 -0.62 0.56 -0.51 -1.32 0.00 0.00 176.35 174.45 1oyp s ILE 30 N 1.29 4.93 -0.08 6.68 2.07 -0.74 -1.78 121.20 133.58 1oyp s ILE 30 Ca 0.06 1.16 0.03 0.00 -1.41 0.00 0.00 60.65 60.49 1oyp s ILE 30 Cb -0.25 -3.89 0.01 0.00 0.13 0.00 0.00 42.46 38.47 1oyp s ILE 30 CO -0.02 0.44 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.41 1oyp s THR 31 N -0.30 1.40 -0.33 4.00 2.01 -0.65 -1.85 115.64 119.92 1oyp s THR 31 Ca 0.29 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 1oyp s THR 31 Cb -0.18 -1.26 0.11 0.00 0.01 0.00 0.00 72.50 71.19 1oyp s THR 31 CO 0.16 0.41 0.14 0.00 -0.69 0.00 0.00 174.62 174.64 1oyp s ALA 32 N 0.65 1.35 0.00 7.40 0.00 -0.24 -1.65 121.76 129.26 1oyp s ALA 32 Ca -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1oyp s ALA 32 Cb -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1oyp s ALA 32 CO 0.04 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.44 1oyp n GLY 33 N 4.65 2.83 0.60 0.00 0.00 -0.83 -1.56 105.19 110.88 1oyp n GLY 33 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1oyp n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oyp n ASN 34 N 9.31 2.23 -4.70 1.61 3.02 -1.26 -4.93 115.26 120.54 1oyp n ASN 34 Ca 0.00 -1.62 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 1oyp n ASN 34 Cb 0.00 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1oyp n ASN 34 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1oyp s THR 35 N -2.31 4.68 -0.09 3.41 2.01 -0.60 -4.60 115.64 118.14 1oyp s THR 35 Ca 0.20 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 64.12 1oyp s THR 35 Cb 0.18 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.48 1oyp s THR 35 CO 0.49 0.10 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.96 1oyp s LYS 36 N 1.35 0.98 -0.08 4.92 1.02 0.41 -1.08 119.74 127.25 1oyp s LYS 36 Ca 0.52 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1oyp s LYS 36 Cb -0.22 -1.26 0.02 0.00 -0.52 0.00 0.00 37.83 35.85 1oyp s LYS 36 CO 0.25 -0.30 -0.10 0.08 -0.92 0.00 0.00 175.35 174.37 1oyp s VAL 37 N 1.86 1.04 -0.21 3.17 1.01 -0.77 -1.18 120.40 125.32 1oyp s VAL 37 Ca 0.05 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1oyp s VAL 37 Cb -0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1oyp s VAL 37 CO -0.07 0.35 0.66 -0.63 0.00 0.00 0.00 175.10 175.41 1oyp s ILE 38 N 1.14 4.99 -0.23 2.22 1.01 0.02 -1.79 121.20 128.57 1oyp s ILE 38 Ca -0.06 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1oyp s ILE 38 Cb -0.14 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1oyp s ILE 38 CO -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 174.94 174.89 1oyp s ASN 40 N 1.27 3.88 -0.05 0.00 0.02 0.01 0.10 114.94 120.16 1oyp s ASN 40 Ca -0.00 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 51.39 1oyp s ASN 40 Cb -0.16 -0.61 0.02 0.00 0.02 0.00 0.00 41.25 40.51 1oyp s ASN 40 CO -0.07 0.23 -0.06 0.00 0.02 0.00 0.00 177.10 177.22 1oyp s ALA 41 N -1.01 0.85 0.02 0.60 0.00 0.17 -0.39 121.76 122.01 1oyp s ALA 41 Ca 0.16 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1oyp s ALA 41 Cb -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1oyp s ALA 41 CO 0.07 -0.02 -0.15 -1.12 0.00 0.00 0.00 175.76 174.55 1oyp s SER 42 N 0.93 1.74 -0.12 0.00 0.01 -0.16 -1.79 113.70 114.30 1oyp s SER 42 Ca -0.11 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.73 1oyp s SER 42 Cb -0.15 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1oyp s SER 42 CO 0.00 0.11 0.07 0.68 0.41 0.00 0.00 173.24 174.51 1oyp s VAL 43 N -0.61 4.87 -0.07 3.43 -7.23 -1.26 0.55 120.40 120.08 1oyp s VAL 43 Ca 0.04 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1oyp s VAL 43 Cb -0.07 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.78 1oyp s VAL 43 CO 0.00 0.58 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.61 1oyp s GLU 44 N -0.64 1.21 -1.25 4.82 2.12 -0.53 -4.97 118.70 119.45 1oyp s GLU 44 Ca 0.11 -0.19 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 1oyp s GLU 44 Cb -0.12 -1.22 0.01 0.00 0.26 0.00 0.00 34.13 33.06 1oyp s GLU 44 CO 0.02 -0.15 1.84 -0.25 -0.54 0.00 0.00 175.26 176.18 1oyp n ASP 45 N 4.46 4.18 -3.66 -1.70 10.43 -1.26 -1.29 116.55 127.70 1oyp n ASP 45 Ca -0.17 -2.83 -0.01 0.00 2.57 0.00 0.00 54.79 54.34 1oyp n ASP 45 Cb 0.51 -1.72 -0.01 0.00 1.84 0.00 0.00 41.12 41.74 1oyp n ASP 45 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1oyp s ARG 46 N 4.93 0.71 -0.16 -1.24 6.06 -1.26 -5.02 118.95 122.97 1oyp s ARG 46 Ca 0.58 -0.38 -0.15 0.00 -2.50 0.00 0.00 55.73 53.29 1oyp s ARG 46 Cb 0.03 0.25 0.04 0.00 0.06 0.00 0.00 34.95 35.33 1oyp s ARG 46 CO 0.09 -0.32 0.42 0.08 -2.50 0.00 0.00 175.30 173.07 1oyp s VAL 47 N -2.77 0.00 1.27 7.11 1.01 -1.26 -3.18 120.40 122.58 1oyp s VAL 47 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1oyp s VAL 47 Cb 0.02 -0.59 0.31 0.00 0.00 0.00 0.00 36.38 36.11 1oyp s VAL 47 CO -0.02 -0.00 0.83 -0.81 0.00 0.00 0.00 175.10 175.10 1oyp n PRO 48 N 2.82 -3.24 -0.24 2.72 -0.04 -1.26 -4.61 135.00 131.14 1oyp n PRO 48 Ca -0.13 -0.94 0.14 0.00 -0.04 0.00 0.00 63.50 62.53 1oyp n PRO 48 Cb 0.57 -2.01 0.43 0.00 -0.04 0.00 0.00 33.50 32.46 1oyp n PRO 48 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1oyp h PRO 49 N -2.98 0.56 -0.90 0.54 0.11 -2.02 -2.74 132.00 124.58 1oyp h PRO 49 Ca -0.54 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.68 1oyp h PRO 49 Cb 1.32 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1oyp h PRO 49 CO 0.40 0.37 -0.34 1.19 -0.21 0.00 0.00 178.00 179.41 1oyp n PHE 50 N -4.54 0.06 0.00 0.65 3.01 -1.26 -4.58 117.46 110.81 1oyp n PHE 50 Ca 0.17 1.11 0.00 0.00 1.01 0.00 0.00 57.45 59.74 1oyp n PHE 50 Cb 0.53 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1oyp n PHE 50 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1oyp n LEU 51 N -5.34 0.00 -2.23 4.37 4.32 -1.03 -5.04 117.00 112.05 1oyp n LEU 51 Ca 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.08 1oyp n LEU 51 Cb 0.37 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.16 1oyp n LEU 51 CO -0.12 0.00 -0.35 -1.14 -1.22 0.00 0.00 177.39 174.56 1oyp n ARG 52 N 0.00 -2.41 0.00 3.23 0.63 -1.25 -4.62 116.66 112.23 1oyp n ARG 52 Ca 0.00 2.07 0.00 0.00 -0.92 0.00 0.00 57.85 59.00 1oyp n ARG 52 Cb 0.00 -3.66 0.00 0.00 0.45 0.00 0.00 32.46 29.25 1oyp n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oyp n GLY 53 N 0.65 0.67 0.12 5.14 0.00 -1.26 -4.96 105.19 105.55 1oyp n GLY 53 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1oyp n GLY 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oyp h GLY 54 N 0.00 0.00 0.00 -0.02 0.00 -1.96 -3.48 103.07 97.61 1oyp h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oyp h GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1oyp n GLY 55 N 1.28 3.14 3.86 4.60 0.00 -1.26 -5.04 105.19 111.76 1oyp n GLY 55 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1oyp n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oyp s LYS 56 N -0.39 3.60 0.00 1.61 -2.85 -1.26 -3.17 119.74 117.27 1oyp s LYS 56 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1oyp s LYS 56 Cb 0.00 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.55 1oyp s LYS 56 CO 0.00 0.71 0.00 0.41 0.10 0.00 0.00 175.35 176.57 1oyp n GLY 57 N 2.13 -2.40 3.27 0.59 0.00 0.15 -4.64 105.19 104.29 1oyp n GLY 57 Ca -0.19 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1oyp n GLY 57 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1oyp s TRP 58 N -0.84 0.06 -0.10 1.61 -0.11 0.54 -4.85 118.94 115.23 1oyp s TRP 58 Ca 0.00 -0.44 -0.03 0.00 1.22 0.00 0.00 56.10 56.85 1oyp s TRP 58 Cb 0.00 0.07 0.05 0.00 -1.50 0.00 0.00 33.47 32.08 1oyp s TRP 58 CO 0.00 -0.64 0.10 0.42 -4.62 0.00 0.00 176.95 172.21 1oyp s ILE 59 N -3.86 -0.15 0.06 5.86 1.01 -1.26 -1.33 121.20 121.54 1oyp s ILE 59 Ca 0.06 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1oyp s ILE 59 Cb 0.03 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1oyp s ILE 59 CO -0.10 0.00 -0.20 0.28 0.00 0.00 0.00 174.94 174.93 1oyp s THR 60 N 2.19 1.60 0.27 2.92 -1.32 -1.11 -4.77 115.64 115.42 1oyp s THR 60 Ca 0.04 -1.26 0.09 0.00 -1.21 0.00 0.00 61.69 59.35 1oyp s THR 60 Cb -0.14 -1.42 -0.05 0.00 -1.51 0.00 0.00 72.50 69.39 1oyp s THR 60 CO -0.06 0.11 -0.13 0.00 -2.21 0.00 0.00 174.62 172.32 1oyp s ALA 61 N -0.91 2.49 -0.01 11.08 0.00 -1.26 -0.64 121.76 132.52 1oyp s ALA 61 Ca 0.06 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.19 1oyp s ALA 61 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1oyp s ALA 61 CO 0.02 0.10 -0.10 -1.21 0.00 0.00 0.00 175.76 174.58 1oyp s GLU 62 N -3.62 0.84 0.01 0.00 2.02 0.12 -4.86 118.70 113.21 1oyp s GLU 62 Ca 0.28 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.95 1oyp s GLU 62 Cb -0.00 -0.80 -0.01 0.00 0.10 0.00 0.00 34.13 33.41 1oyp s GLU 62 CO 0.12 0.20 -0.08 -0.47 0.02 0.00 0.00 175.26 175.05 1oyp s TYR 63 N -0.17 0.73 -0.02 1.61 6.14 -1.26 -0.66 117.35 123.72 1oyp s TYR 63 Ca 0.03 -0.23 -0.15 0.00 0.64 0.00 0.00 57.07 57.35 1oyp s TYR 63 Cb -0.05 -0.45 0.03 0.00 0.42 0.00 0.00 41.96 41.91 1oyp s TYR 63 CO -0.00 -0.02 0.33 -1.54 0.64 0.00 0.00 175.55 174.95 1oyp s SER 64 N -0.60 -0.22 0.27 4.32 1.04 -0.85 -4.99 113.70 112.68 1oyp s SER 64 Ca -0.00 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.58 1oyp s SER 64 Cb -0.05 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 1oyp s SER 64 CO 0.00 -0.44 0.08 -0.32 0.98 0.00 0.00 173.24 173.54 1oyp s MET 65 N -1.27 1.47 0.00 4.02 0.00 -1.26 -1.78 119.30 120.47 1oyp s MET 65 Ca -0.13 -1.80 0.00 0.00 0.00 0.00 0.00 55.69 53.76 1oyp s MET 65 Cb -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 34.83 34.35 1oyp s MET 65 CO 0.04 -0.26 0.00 1.28 0.00 0.00 0.00 175.02 176.09 1oyp n LEU 66 N -0.52 0.00 0.00 4.11 4.77 -1.25 -4.96 117.00 119.15 1oyp n LEU 66 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1oyp n LEU 66 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1oyp n LEU 66 CO 0.39 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.91 1oyp n SER 84 N -0.31 0.00 0.07 -1.43 3.41 -1.26 -5.20 113.62 108.90 1oyp n SER 84 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1oyp n SER 84 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1oyp n SER 84 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1oyp h GLY 85 N 0.00 -0.20 1.77 5.00 0.00 -2.05 -2.68 103.07 104.91 1oyp h GLY 85 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1oyp h GLY 85 CO 0.00 -0.07 -0.21 0.07 0.00 0.00 0.00 176.54 176.32 1oyp h ARG 86 N -0.61 0.00 -0.59 4.80 0.11 -2.05 -3.22 114.38 112.82 1oyp h ARG 86 Ca -0.02 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1oyp h ARG 86 Cb 0.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 1oyp h ARG 86 CO 0.03 0.00 0.27 1.15 0.10 0.00 0.00 179.97 181.52 1oyp h THR 87 N 0.00 1.22 -0.46 0.08 2.02 -1.94 0.46 112.91 114.28 1oyp h THR 87 Ca 0.00 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1oyp h THR 87 Cb 0.94 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1oyp h THR 87 CO 0.00 0.25 0.11 -0.03 0.37 0.00 0.00 175.52 176.22 1oyp h MET 88 N 0.81 0.75 0.42 6.66 1.85 -1.50 -1.03 114.93 122.88 1oyp h MET 88 Ca 0.20 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1oyp h MET 88 Cb 0.15 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.08 1oyp h MET 88 CO -0.02 0.74 -0.26 1.49 -0.40 0.00 0.00 176.91 178.46 1oyp h GLU 89 N 0.62 -0.61 -0.87 0.39 4.81 -1.47 -2.12 114.58 115.33 1oyp h GLU 89 Ca 0.14 0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.64 1oyp h GLU 89 Cb 0.34 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 29.72 1oyp h GLU 89 CO 0.00 -0.41 0.27 0.82 -0.73 0.00 0.00 179.01 178.96 1oyp h ILE 90 N -0.64 0.36 -0.80 2.32 2.04 -0.93 0.18 117.51 120.04 1oyp h ILE 90 Ca -0.06 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1oyp h ILE 90 Cb 0.51 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1oyp h ILE 90 CO 0.06 0.05 0.43 -0.61 0.00 0.00 0.00 178.15 178.07 1oyp h GLN 91 N 0.25 0.67 -0.03 2.37 4.15 -0.91 0.04 115.11 121.65 1oyp h GLN 91 Ca 0.54 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.75 1oyp h GLN 91 Cb 1.08 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1oyp h GLN 91 CO -0.62 0.44 -0.75 0.00 -1.93 0.00 0.00 178.83 175.98 1oyp h ARG 92 N 0.69 0.21 -0.32 1.69 3.08 -0.04 -3.03 114.38 116.66 1oyp h ARG 92 Ca 0.40 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1oyp h ARG 92 Cb 0.45 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1oyp h ARG 92 CO -0.29 0.86 0.19 1.25 -1.07 0.00 0.00 179.97 180.91 1oyp h LEU 93 N 0.14 0.31 -0.32 3.04 6.46 0.48 0.13 115.31 125.55 1oyp h LEU 93 Ca -0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1oyp h LEU 93 Cb 1.31 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1oyp h LEU 93 CO 0.11 0.23 0.08 0.40 -0.62 0.00 0.00 178.44 178.64 1oyp h ILE 94 N 0.39 1.22 -0.29 4.05 2.04 -1.16 -1.24 117.51 122.51 1oyp h ILE 94 Ca 0.12 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 1oyp h ILE 94 Cb -0.01 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1oyp h ILE 94 CO -0.05 0.25 -0.24 1.23 0.00 0.00 0.00 178.15 179.33 1oyp h GLY 95 N 0.36 0.61 0.82 5.37 0.00 -1.40 -2.16 103.07 106.66 1oyp h GLY 95 Ca 0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1oyp h GLY 95 CO 0.00 0.46 0.03 -0.09 0.00 0.00 0.00 176.54 176.94 1oyp h ARG 96 N 0.50 0.23 -0.49 4.80 2.43 -0.59 -2.43 114.38 118.83 1oyp h ARG 96 Ca 0.07 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1oyp h ARG 96 Cb 0.68 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1oyp h ARG 96 CO 0.05 0.41 0.24 0.00 -1.51 0.00 0.00 179.97 179.15 1oyp h ALA 97 N 0.82 0.63 -0.54 2.80 0.00 -1.14 -2.85 119.26 118.99 1oyp h ALA 97 Ca 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1oyp h ALA 97 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1oyp h ALA 97 CO 0.00 0.19 0.14 -0.07 0.00 0.00 0.00 179.25 179.51 1oyp h LEU 98 N 0.65 0.81 -1.47 0.00 3.38 -1.39 -2.27 115.31 115.03 1oyp h LEU 98 Ca 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1oyp h LEU 98 Cb 0.12 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1oyp h LEU 98 CO -0.02 0.83 0.00 0.03 0.09 0.00 0.00 178.44 179.37 1oyp h ARG 99 N 0.75 0.00 0.00 1.13 3.08 -1.37 -2.19 114.38 115.78 1oyp h ARG 99 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1oyp h ARG 99 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1oyp h ARG 99 CO 0.00 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.70 1oyp h ALA 100 N 2.09 1.04 -0.11 0.04 0.00 -1.16 -3.12 119.26 118.03 1oyp h ALA 100 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oyp h ALA 100 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oyp h ALA 100 CO 0.00 0.25 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1oyp n VAL 101 N -3.39 1.43 -4.17 0.00 0.24 -0.84 -4.98 118.33 106.62 1oyp n VAL 101 Ca -0.00 -1.47 -0.28 0.00 -2.04 0.00 0.00 64.34 60.55 1oyp n VAL 101 Cb 0.40 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.79 1oyp n VAL 101 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1oyp s VAL 102 N -1.78 1.30 -0.84 3.34 1.01 -1.15 -0.29 120.40 121.99 1oyp s VAL 102 Ca 0.20 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1oyp s VAL 102 Cb 0.15 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1oyp s VAL 102 CO 0.05 0.41 1.50 -0.62 0.00 0.00 0.00 175.10 176.45 1oyp s ASP 103 N 1.32 6.03 0.48 3.32 -1.08 -0.91 -4.85 116.67 120.97 1oyp s ASP 103 Ca -0.01 -0.72 0.26 0.00 -0.52 0.00 0.00 52.55 51.57 1oyp s ASP 103 Cb -0.14 -2.56 1.32 0.00 -1.46 0.00 0.00 42.92 40.09 1oyp s ASP 103 CO -0.05 -1.91 1.85 -0.07 0.52 0.00 0.00 175.17 175.51 1oyp h LEU 104 N 14.03 0.18 -0.48 -1.34 3.38 -1.89 -0.34 115.31 128.85 1oyp h LEU 104 Ca -0.06 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 1oyp h LEU 104 Cb 1.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1oyp h LEU 104 CO 1.31 0.06 -0.70 -0.33 0.09 0.00 0.00 178.44 178.88 1oyp h GLU 105 N 0.17 0.33 0.00 1.13 5.08 -1.89 0.43 114.58 119.83 1oyp h GLU 105 Ca 0.48 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1oyp h GLU 105 Cb 1.58 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 1oyp h GLU 105 CO -0.10 0.90 -0.16 0.87 -1.00 0.00 0.00 179.01 179.53 1oyp h LYS 106 N 0.23 0.00 0.00 2.33 1.57 -1.43 -2.83 116.57 116.44 1oyp h LYS 106 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1oyp h LYS 106 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1oyp h LYS 106 CO 0.11 0.16 -0.26 1.25 -0.57 0.00 0.00 179.45 180.15 1oyp h LEU 107 N 0.00 0.00 0.00 2.94 5.85 -1.17 -3.44 115.31 119.49 1oyp h LEU 107 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1oyp h LEU 107 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1oyp h LEU 107 CO 0.02 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 178.99 1oyp n GLY 108 N 0.68 -1.39 3.57 3.75 0.00 -1.07 -4.62 105.19 106.12 1oyp n GLY 108 Ca 0.02 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1oyp n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oyp s GLU 109 N -2.19 2.22 0.33 1.61 2.12 -1.19 -1.63 118.70 119.97 1oyp s GLU 109 Ca 0.00 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 54.92 1oyp s GLU 109 Cb 0.00 -5.06 -0.02 0.00 0.26 0.00 0.00 34.13 29.31 1oyp s GLU 109 CO 0.00 -3.99 0.34 1.03 -0.54 0.00 0.00 175.26 172.11 1oyp s ARG 110 N 7.32 1.80 -0.17 4.30 0.52 -1.26 -4.14 118.95 127.32 1oyp s ARG 110 Ca 0.74 -1.92 -0.05 0.00 -0.52 0.00 0.00 55.73 53.98 1oyp s ARG 110 Cb -0.06 0.37 0.06 0.00 0.52 0.00 0.00 34.95 35.84 1oyp s ARG 110 CO 0.07 -0.69 0.10 0.99 0.02 0.00 0.00 175.30 175.79 1oyp s THR 111 N -3.32 -0.12 -0.60 0.02 2.01 -0.41 -0.34 115.64 112.89 1oyp s THR 111 Ca 0.37 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.03 1oyp s THR 111 Cb 0.02 -0.55 0.06 0.00 0.01 0.00 0.00 72.50 72.03 1oyp s THR 111 CO 0.25 -0.24 0.88 -0.63 -0.69 0.00 0.00 174.62 174.19 1oyp s ILE 112 N 2.16 4.47 -0.13 1.82 1.01 -0.44 -1.46 121.20 128.63 1oyp s ILE 112 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 1oyp s ILE 112 Cb -0.16 -4.56 -0.01 0.00 0.01 0.00 0.00 42.46 37.74 1oyp s ILE 112 CO -0.09 -1.22 1.04 0.26 0.00 0.00 0.00 174.94 174.93 1oyp s TRP 113 N 3.69 3.42 -0.19 3.97 0.52 0.19 -2.76 118.94 127.78 1oyp s TRP 113 Ca 0.23 1.51 -0.06 0.00 0.02 0.00 0.00 56.10 57.80 1oyp s TRP 113 Cb -0.16 -3.24 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 1oyp s TRP 113 CO 0.13 -0.43 0.03 0.42 0.02 0.00 0.00 176.95 177.12 1oyp s ILE 114 N 2.36 4.40 -0.22 2.03 -1.09 0.19 -0.99 121.20 127.88 1oyp s ILE 114 Ca 0.48 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1oyp s ILE 114 Cb -0.18 -2.98 0.04 0.00 -1.58 0.00 0.00 42.46 37.76 1oyp s ILE 114 CO 0.15 0.44 -0.15 -1.81 -1.23 0.00 0.00 174.94 172.35 1oyp s ASP 115 N 0.65 3.76 -0.27 3.58 1.01 0.48 0.16 116.67 126.04 1oyp s ASP 115 Ca 0.01 -1.02 -0.02 0.00 0.71 0.00 0.00 52.55 52.24 1oyp s ASP 115 Cb -0.14 -1.49 0.04 0.00 1.01 0.00 0.00 42.92 42.35 1oyp s ASP 115 CO 0.02 -0.10 -0.03 0.00 0.21 0.00 0.00 175.17 175.26 1oyp s ASP 117 N 1.28 4.39 -0.37 0.00 3.68 -0.22 -2.01 116.67 123.43 1oyp s ASP 117 Ca -0.03 -1.11 -0.28 0.00 2.13 0.00 0.00 52.55 53.26 1oyp s ASP 117 Cb -0.18 -1.63 0.02 0.00 -1.45 0.00 0.00 42.92 39.68 1oyp s ASP 117 CO -0.03 -0.17 1.04 -0.69 0.13 0.00 0.00 175.17 175.46 1oyp s VAL 118 N 1.24 4.46 -1.09 1.11 1.01 -0.73 -0.80 120.40 125.60 1oyp s VAL 118 Ca -0.03 1.45 0.22 0.00 0.00 0.00 0.00 61.98 63.62 1oyp s VAL 118 Cb -0.18 -4.43 -0.16 0.00 0.00 0.00 0.00 36.38 31.60 1oyp s VAL 118 CO -0.05 -0.62 1.01 2.30 0.00 0.00 0.00 175.10 177.75 1oyp n ILE 119 N 6.13 0.00 -3.15 2.22 -5.35 -0.32 -3.82 119.36 115.07 1oyp n ILE 119 Ca 0.10 -0.02 0.04 0.00 -0.27 0.00 0.00 62.75 62.60 1oyp n ILE 119 Cb 0.48 0.88 -0.01 0.00 -1.74 0.00 0.00 39.64 39.25 1oyp n ILE 119 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1oyp s GLN 120 N -2.95 0.53 -0.22 6.28 0.74 -1.06 -4.95 119.66 118.03 1oyp s GLN 120 Ca 0.10 0.90 -0.12 0.00 0.05 0.00 0.00 55.36 56.28 1oyp s GLN 120 Cb 0.16 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.72 1oyp s GLN 120 CO 0.81 -0.61 0.22 0.00 -0.55 0.00 0.00 175.29 175.16 1oyp s ALA 121 N 2.87 3.61 -0.33 1.58 0.00 -1.26 -0.44 121.76 127.78 1oyp s ALA 121 Ca 0.18 -0.73 0.15 0.00 0.00 0.00 0.00 51.96 51.57 1oyp s ALA 121 Cb -0.14 -2.37 0.44 0.00 0.00 0.00 0.00 23.12 21.05 1oyp s ALA 121 CO -0.20 -0.12 1.24 -3.47 0.00 0.00 0.00 175.76 173.20 1oyp n ASP 122 N 4.10 -0.13 0.00 0.00 2.03 -1.26 -4.90 116.55 116.39 1oyp n ASP 122 Ca -0.13 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 52.80 1oyp n ASP 122 Cb 0.52 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1oyp n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oyp n GLY 123 N -0.67 -1.24 2.77 0.27 0.00 -1.26 -2.14 105.19 102.92 1oyp n GLY 123 Ca -0.01 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 1oyp n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyp n GLY 124 N -0.08 -0.23 0.13 -0.02 0.00 -1.25 -4.78 105.19 98.97 1oyp n GLY 124 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1oyp n GLY 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1oyp h THR 125 N -1.22 1.46 -0.00 2.61 1.35 -1.94 -2.42 112.91 112.75 1oyp h THR 125 Ca -0.41 -2.63 -0.25 0.00 -0.55 0.00 0.00 66.41 62.56 1oyp h THR 125 Cb 1.28 2.52 0.01 0.00 -1.73 0.00 0.00 68.15 70.24 1oyp h THR 125 CO 0.44 0.77 -1.00 0.08 -0.25 0.00 0.00 175.52 175.56 1oyp h ARG 126 N 0.15 0.58 -0.18 4.72 0.11 -1.99 -1.85 114.38 115.91 1oyp h ARG 126 Ca -0.07 -0.62 -0.16 0.00 0.10 0.00 0.00 59.98 59.23 1oyp h ARG 126 Cb 1.61 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.85 1oyp h ARG 126 CO 0.15 1.23 -0.54 1.79 0.10 0.00 0.00 179.97 182.71 1oyp h THR 127 N 0.33 1.32 -0.14 0.08 1.35 -1.90 -2.94 112.91 111.00 1oyp h THR 127 Ca -0.11 -1.78 -0.02 0.00 -0.55 0.00 0.00 66.41 63.95 1oyp h THR 127 Cb 1.64 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 1oyp h THR 127 CO 0.19 0.55 0.01 0.00 -0.25 0.00 0.00 175.52 176.02 1oyp h ALA 128 N 1.00 0.19 -0.82 6.62 0.00 -1.45 -2.38 119.26 122.42 1oyp h ALA 128 Ca 0.01 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.94 1oyp h ALA 128 Cb 1.07 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 1oyp h ALA 128 CO 0.10 -0.12 0.25 0.77 0.00 0.00 0.00 179.25 180.24 1oyp h SER 129 N 0.00 0.08 -0.43 0.00 0.02 -1.27 0.55 113.55 112.50 1oyp h SER 129 Ca 0.04 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1oyp h SER 129 Cb 0.35 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1oyp h SER 129 CO 0.01 -0.06 0.11 0.40 -1.14 0.00 0.00 176.83 176.14 1oyp h ILE 130 N 0.29 1.23 -0.42 3.27 2.04 -1.33 0.72 117.51 123.29 1oyp h ILE 130 Ca 0.49 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1oyp h ILE 130 Cb 0.91 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1oyp h ILE 130 CO -0.56 0.28 0.12 0.74 0.00 0.00 0.00 178.15 178.72 1oyp h THR 131 N 0.55 1.23 -0.07 -0.27 2.02 -0.27 -2.30 112.91 113.79 1oyp h THR 131 Ca 0.13 -0.76 -0.20 0.00 0.77 0.00 0.00 66.41 66.35 1oyp h THR 131 Cb 0.30 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1oyp h THR 131 CO 0.00 0.27 -0.79 1.23 0.37 0.00 0.00 175.52 176.60 1oyp h GLY 132 N 0.54 0.51 1.11 2.16 0.00 0.09 -3.22 103.07 104.26 1oyp h GLY 132 Ca 0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1oyp h GLY 132 CO -0.00 0.68 0.46 0.00 0.00 0.00 0.00 176.54 177.68 1oyp h ALA 133 N 0.83 1.23 0.06 3.60 0.00 0.55 -2.19 119.26 123.33 1oyp h ALA 133 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1oyp h ALA 133 Cb 1.38 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1oyp h ALA 133 CO 0.14 0.62 -0.06 0.35 0.00 0.00 0.00 179.25 180.30 1oyp h PHE 134 N 1.17 -0.15 -0.39 0.00 3.57 -1.43 0.07 116.94 119.78 1oyp h PHE 134 Ca 0.30 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1oyp h PHE 134 Cb 0.03 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1oyp h PHE 134 CO 0.01 -0.10 0.08 -0.07 -2.23 0.00 0.00 178.31 176.00 1oyp h LEU 135 N -0.13 0.01 -0.17 0.59 3.38 -1.52 0.48 115.31 117.95 1oyp h LEU 135 Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1oyp h LEU 135 Cb 0.13 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1oyp h LEU 135 CO -0.02 0.04 -0.06 0.00 0.09 0.00 0.00 178.44 178.50 1oyp h ALA 136 N 1.29 0.09 -0.93 1.53 0.00 -1.13 0.26 119.26 120.38 1oyp h ALA 136 Ca 0.19 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1oyp h ALA 136 Cb 0.22 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1oyp h ALA 136 CO -0.24 -0.49 0.61 1.98 0.00 0.00 0.00 179.25 181.10 1oyp h MET 137 N -0.03 1.20 -0.64 0.00 1.85 -0.19 -1.08 114.93 116.05 1oyp h MET 137 Ca 0.08 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 59.07 1oyp h MET 137 Cb 0.15 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 31.88 1oyp h MET 137 CO -0.18 0.80 0.26 0.00 -0.40 0.00 0.00 176.91 177.38 1oyp h ALA 138 N 1.35 0.83 -0.55 0.39 0.00 0.67 0.47 119.26 122.42 1oyp h ALA 138 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1oyp h ALA 138 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1oyp h ALA 138 CO -0.08 0.44 0.00 0.82 0.00 0.00 0.00 179.25 180.44 1oyp h ILE 139 N 0.90 1.26 -0.47 0.00 2.04 -0.51 0.21 117.51 120.93 1oyp h ILE 139 Ca 0.21 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1oyp h ILE 139 Cb 0.20 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1oyp h ILE 139 CO -0.02 0.40 -0.09 0.00 0.00 0.00 0.00 178.15 178.44 1oyp h ALA 140 N 0.96 0.65 -0.31 1.87 0.00 -0.96 -2.35 119.26 119.11 1oyp h ALA 140 Ca 0.16 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1oyp h ALA 140 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1oyp h ALA 140 CO 0.03 0.53 -0.41 0.82 0.00 0.00 0.00 179.25 180.21 1oyp h ILE 141 N 0.74 1.29 -0.92 0.00 2.04 -0.78 -2.48 117.51 117.40 1oyp h ILE 141 Ca 0.12 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.43 1oyp h ILE 141 Cb 0.63 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1oyp h ILE 141 CO 0.04 0.52 0.60 1.23 0.00 0.00 0.00 178.15 180.54 1oyp h GLY 142 N 0.91 1.32 1.64 5.37 0.00 -0.43 -0.07 103.07 111.82 1oyp h GLY 142 Ca 0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1oyp h GLY 142 CO 0.09 0.39 -0.48 0.50 0.00 0.00 0.00 176.54 177.05 1oyp h LYS 143 N 1.15 0.38 -0.35 4.80 1.57 -1.25 -1.46 116.57 121.41 1oyp h LYS 143 Ca 0.36 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1oyp h LYS 143 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1oyp h LYS 143 CO -0.11 0.78 0.03 -0.07 -0.57 0.00 0.00 179.45 179.51 1oyp h LEU 144 N 0.31 0.58 -0.24 2.94 4.07 -0.81 0.65 115.31 122.81 1oyp h LEU 144 Ca 0.02 -0.28 0.01 0.00 0.08 0.00 0.00 57.88 57.71 1oyp h LEU 144 Cb 0.95 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1oyp h LEU 144 CO 0.08 0.72 0.12 0.40 -1.08 0.00 0.00 178.44 178.68 1oyp h ILE 145 N 0.42 0.99 -0.17 1.22 2.04 -0.89 -1.60 117.51 119.52 1oyp h ILE 145 Ca 0.10 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1oyp h ILE 145 Cb 0.40 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1oyp h ILE 145 CO 0.01 0.05 0.04 0.50 0.00 0.00 0.00 178.15 178.75 1oyp h LYS 146 N 0.25 0.12 0.00 2.37 3.11 -1.06 0.09 116.57 121.45 1oyp h LYS 146 Ca 0.10 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1oyp h LYS 146 Cb 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1oyp h LYS 146 CO -0.07 0.08 0.00 0.00 -2.81 0.00 0.00 179.45 176.65 1oyp n ALA 147 N -2.24 1.98 -1.14 5.00 0.00 0.20 -4.78 120.51 119.53 1oyp n ALA 147 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1oyp n ALA 147 Cb 0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1oyp n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oyp n GLY 148 N -0.04 0.81 0.00 0.00 0.00 0.02 -4.78 105.19 101.20 1oyp n GLY 148 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1oyp n GLY 148 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1oyp n THR 149 N -1.82 0.53 0.00 2.61 5.66 -0.64 -4.04 114.28 116.58 1oyp n THR 149 Ca -0.09 0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1oyp n THR 149 Cb 0.46 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1oyp n THR 149 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1oyp n ILE 150 N -1.29 0.00 -3.83 1.09 -5.35 -1.25 -5.02 119.36 103.72 1oyp n ILE 150 Ca 0.08 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.23 1oyp n ILE 150 Cb 0.13 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.05 1oyp n ILE 150 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1oyp n LYS 151 N -0.77 -0.98 0.00 6.28 5.02 -1.26 -4.95 118.16 121.51 1oyp n LYS 151 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1oyp n LYS 151 Cb 0.00 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.11 1oyp n LYS 151 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1oyp n THR 152 N -3.74 0.00 -2.27 -0.18 5.66 -1.26 -5.13 114.28 107.36 1oyp n THR 152 Ca -0.18 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.39 1oyp n THR 152 Cb 0.61 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1oyp n THR 152 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1oyp s ASN 153 N 0.00 6.42 0.02 1.09 2.47 -1.26 -4.83 114.94 118.86 1oyp s ASN 153 Ca 0.00 1.25 -0.20 0.00 0.42 0.00 0.00 52.86 54.33 1oyp s ASN 153 Cb 0.00 -2.54 -0.18 0.00 -1.45 0.00 0.00 41.25 37.08 1oyp s ASN 153 CO 0.00 -1.28 1.22 -0.65 -3.72 0.00 0.00 177.10 172.67 1oyp h PRO 154 N 10.43 0.40 -6.31 0.43 0.11 -1.88 -3.45 132.00 131.73 1oyp h PRO 154 Ca -0.29 -0.30 -0.59 0.00 0.11 0.00 0.00 66.00 64.93 1oyp h PRO 154 Cb 1.12 0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1oyp h PRO 154 CO 1.04 0.93 1.13 -0.89 -0.21 0.00 0.00 178.00 180.00 1oyp n ILE 155 N -4.39 0.62 0.58 4.15 5.41 -1.26 -2.14 119.36 122.33 1oyp n ILE 155 Ca -0.08 -0.11 0.11 0.00 1.00 0.00 0.00 62.75 63.67 1oyp n ILE 155 Cb 0.51 -2.00 -0.08 0.00 -0.71 0.00 0.00 39.64 37.35 1oyp n ILE 155 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1oyp n THR 156 N 5.21 0.06 -3.57 1.39 -2.24 0.60 -4.97 114.28 110.76 1oyp n THR 156 Ca 0.22 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1oyp n THR 156 Cb 0.33 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 1oyp n THR 156 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oyp s ASP 157 N -3.72 -0.29 0.79 3.42 -1.08 -1.25 -5.07 116.67 109.47 1oyp s ASP 157 Ca 0.02 0.17 -0.11 0.00 -0.52 0.00 0.00 52.55 52.12 1oyp s ASP 157 Cb 0.15 0.27 0.07 0.00 -1.46 0.00 0.00 42.92 41.94 1oyp s ASP 157 CO 0.86 -0.37 1.09 -0.36 0.52 0.00 0.00 175.17 176.91 1oyp s PHE 158 N -1.93 2.51 -0.06 -5.34 0.08 -1.26 -4.85 117.98 107.12 1oyp s PHE 158 Ca 0.03 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 1oyp s PHE 158 Cb -0.01 -3.07 0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1oyp s PHE 158 CO -0.04 -1.90 0.14 -1.17 -0.10 0.00 0.00 175.22 172.16 1oyp s LEU 159 N -5.98 0.99 0.03 -0.37 2.96 -1.26 -2.27 118.68 112.77 1oyp s LEU 159 Ca 0.62 0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 54.65 1oyp s LEU 159 Cb -0.17 0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.93 1oyp s LEU 159 CO 0.56 -0.11 0.35 0.00 -1.32 0.00 0.00 176.35 175.83 1oyp s ALA 160 N 0.80 -0.83 0.09 5.97 0.00 -1.10 -4.67 121.76 122.01 1oyp s ALA 160 Ca -0.06 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1oyp s ALA 160 Cb -0.08 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1oyp s ALA 160 CO -0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 175.76 175.25 1oyp s ALA 161 N -2.20 0.99 0.22 0.00 0.00 -1.26 -2.23 121.76 117.28 1oyp s ALA 161 Ca -0.07 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 1oyp s ALA 161 Cb -0.02 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1oyp s ALA 161 CO -0.01 -0.09 0.47 -1.50 0.00 0.00 0.00 175.76 174.63 1oyp s ILE 162 N -2.60 0.02 0.06 0.00 1.10 -0.95 -4.61 121.20 114.22 1oyp s ILE 162 Ca 0.05 -1.22 0.09 0.00 -0.51 0.00 0.00 60.65 59.06 1oyp s ILE 162 Cb -0.02 -1.97 -0.03 0.00 0.15 0.00 0.00 42.46 40.59 1oyp s ILE 162 CO -0.01 -0.08 -0.25 -0.94 -2.11 0.00 0.00 174.94 171.54 1oyp s SER 163 N -2.97 3.07 0.21 4.50 1.04 -1.26 -1.45 113.70 116.84 1oyp s SER 163 Ca 0.17 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1oyp s SER 163 Cb -0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1oyp s SER 163 CO 0.04 0.22 -0.00 0.68 0.98 0.00 0.00 173.24 175.16 1oyp s VAL 164 N -0.87 0.91 0.04 5.02 -7.23 -0.00 0.67 120.40 118.94 1oyp s VAL 164 Ca 0.11 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 1oyp s VAL 164 Cb -0.10 -2.26 0.10 0.00 0.56 0.00 0.00 36.38 34.68 1oyp s VAL 164 CO 0.03 -0.38 1.10 -0.83 -0.31 0.00 0.00 175.10 174.71 1oyp s GLY 165 N -3.26 -0.33 -0.08 2.32 0.00 -0.81 -0.82 107.32 104.34 1oyp s GLY 165 Ca 0.27 0.60 0.05 0.00 0.00 0.00 0.00 44.72 45.63 1oyp s GLY 165 CO 0.07 0.14 -0.23 -0.42 0.00 0.00 0.00 173.10 172.66 1oyp s ILE 166 N -2.86 1.95 0.05 0.90 1.01 0.24 0.88 121.20 123.38 1oyp s ILE 166 Ca 0.12 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1oyp s ILE 166 Cb 0.01 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1oyp s ILE 166 CO -0.02 0.54 -0.14 -0.62 0.00 0.00 0.00 174.94 174.70 1oyp s ASP 167 N 0.13 4.10 0.13 3.58 2.15 0.24 -2.01 116.67 124.99 1oyp s ASP 167 Ca -0.11 -0.38 -0.21 0.00 0.43 0.00 0.00 52.55 52.28 1oyp s ASP 167 Cb -0.16 -0.75 -0.03 0.00 -0.30 0.00 0.00 42.92 41.69 1oyp s ASP 167 CO 0.06 0.24 1.69 0.50 -0.17 0.00 0.00 175.17 177.48 1oyp h LYS 168 N 4.26 -0.10 0.01 4.34 3.64 -1.86 0.12 116.57 126.97 1oyp h LYS 168 Ca -0.48 0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 58.57 1oyp h LYS 168 Cb 1.16 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1oyp h LYS 168 CO 0.50 -0.07 -2.01 -0.85 -2.27 0.00 0.00 179.45 174.75 1oyp n GLU 169 N -5.24 0.66 0.08 1.90 0.28 -1.26 -4.48 120.64 112.59 1oyp n GLU 169 Ca -0.03 0.18 -0.17 0.00 -0.16 0.00 0.00 57.16 56.97 1oyp n GLU 169 Cb 0.17 -1.68 -0.14 0.00 1.43 0.00 0.00 31.44 31.22 1oyp n GLU 169 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1oyp h GLN 170 N 0.00 0.28 0.00 3.44 1.08 -1.96 -3.51 115.11 114.45 1oyp h GLN 170 Ca -0.40 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.31 1oyp h GLN 170 Cb 2.10 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 29.71 1oyp h GLN 170 CO 0.05 1.18 0.00 0.41 -0.95 0.00 0.00 178.83 179.52 1oyp n GLY 171 N 1.63 0.19 3.72 3.46 0.00 0.41 -4.87 105.19 109.72 1oyp n GLY 171 Ca -0.14 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1oyp n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oyp s ILE 172 N 0.00 4.33 0.19 -0.61 1.01 -1.26 0.81 121.20 125.66 1oyp s ILE 172 Ca 0.00 1.83 0.06 0.00 0.00 0.00 0.00 60.65 62.54 1oyp s ILE 172 Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1oyp s ILE 172 CO 0.00 0.23 -0.12 -0.76 0.00 0.00 0.00 174.94 174.29 1oyp s LEU 173 N 0.33 2.53 -0.05 2.97 1.43 0.25 -4.78 118.68 121.37 1oyp s LEU 173 Ca 0.51 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1oyp s LEU 173 Cb -0.26 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1oyp s LEU 173 CO 0.31 -0.24 -0.16 -0.22 0.23 0.00 0.00 176.35 176.27 1oyp s LEU 174 N -3.27 1.84 -0.69 1.79 2.96 -0.79 -1.93 118.68 118.58 1oyp s LEU 174 Ca 0.21 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1oyp s LEU 174 Cb 0.01 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1oyp s LEU 174 CO 0.05 0.11 0.67 -0.67 -1.32 0.00 0.00 176.35 175.19 1oyp n ASP 175 N 3.40 -7.63 -4.76 3.68 4.64 0.21 -4.66 116.55 111.43 1oyp n ASP 175 Ca -0.20 -0.02 -0.39 0.00 -1.38 0.00 0.00 54.79 52.80 1oyp n ASP 175 Cb 0.53 -5.19 -0.04 0.00 -1.04 0.00 0.00 41.12 35.38 1oyp n ASP 175 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1oyp s LEU 176 N -3.81 4.43 0.00 -2.67 1.43 -1.25 -4.77 118.68 112.03 1oyp s LEU 176 Ca 0.02 2.25 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 1oyp s LEU 176 Cb -0.01 -3.78 0.12 0.00 0.03 0.00 0.00 46.19 42.55 1oyp s LEU 176 CO 0.73 -0.29 0.77 -0.46 0.23 0.00 0.00 176.35 177.33 1oyp n ASN 177 N 0.80 0.83 -0.25 2.29 0.23 -1.26 -3.77 115.26 114.12 1oyp n ASN 177 Ca 0.01 -1.75 -0.03 0.00 -0.53 0.00 0.00 54.58 52.27 1oyp n ASN 177 Cb 0.46 -0.52 0.08 0.00 -2.08 0.00 0.00 39.78 37.72 1oyp n ASN 177 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1oyp h TYR 178 N -0.72 0.84 -0.17 -2.53 3.20 -1.73 -2.00 116.97 113.86 1oyp h TYR 178 Ca -0.25 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.59 1oyp h TYR 178 Cb 0.89 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1oyp h TYR 178 CO 0.00 0.49 -0.10 1.49 -1.64 0.00 0.00 178.16 178.40 1oyp h GLU 179 N 0.88 0.37 -0.44 1.82 4.57 -1.94 -2.45 114.58 117.39 1oyp h GLU 179 Ca 0.28 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1oyp h GLU 179 Cb 0.01 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1oyp h GLU 179 CO -0.10 0.69 0.12 0.93 -1.18 0.00 0.00 179.01 179.46 1oyp h GLU 180 N 0.04 0.65 -0.04 1.92 5.08 -1.92 -2.08 114.58 118.22 1oyp h GLU 180 Ca 0.04 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1oyp h GLU 180 Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1oyp h GLU 180 CO 0.03 0.58 -0.58 0.22 -1.00 0.00 0.00 179.01 178.27 1oyp h ASP 181 N 0.63 0.13 0.87 1.42 3.58 -1.34 -0.47 116.42 121.24 1oyp h ASP 181 Ca 0.15 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 1oyp h ASP 181 Cb 0.22 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1oyp h ASP 181 CO -0.01 0.68 -0.60 -1.28 -2.88 0.00 0.00 179.24 175.15 1oyp h SER 182 N 0.09 0.00 0.35 2.28 0.87 -0.91 -3.18 113.55 113.04 1oyp h SER 182 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1oyp h SER 182 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1oyp h SER 182 CO 0.08 0.60 -1.24 -1.20 -0.53 0.00 0.00 176.83 174.54 1oyp n SER 183 N -3.56 0.54 -4.75 6.23 7.64 -0.84 -4.94 113.62 113.94 1oyp n SER 183 Ca -0.00 -0.19 -0.41 0.00 1.01 0.00 0.00 58.87 59.27 1oyp n SER 183 Cb 0.66 1.05 -0.02 0.00 -1.01 0.00 0.00 64.21 64.89 1oyp n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oyp s ALA 184 N -3.27 3.63 -0.46 -0.43 0.00 -0.20 -4.73 121.76 116.31 1oyp s ALA 184 Ca 0.01 1.37 0.23 0.00 0.00 0.00 0.00 51.96 53.57 1oyp s ALA 184 Cb 0.14 -3.57 0.21 0.00 0.00 0.00 0.00 23.12 19.91 1oyp s ALA 184 CO 0.83 -0.78 1.24 1.05 0.00 0.00 0.00 175.76 178.11 1oyp h GLU 185 N 4.77 0.00 -3.12 0.00 4.11 -1.69 -3.45 114.58 115.20 1oyp h GLU 185 Ca -0.47 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.69 1oyp h GLU 185 Cb 1.22 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.13 1oyp h GLU 185 CO 0.76 0.00 -0.62 0.08 0.07 0.00 0.00 179.01 179.30 1oyp s VAL 186 N -3.25 -0.21 0.06 -1.06 1.01 -1.22 0.11 120.40 115.84 1oyp s VAL 186 Ca 0.04 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1oyp s VAL 186 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1oyp s VAL 186 CO 0.74 0.13 -0.14 1.51 0.00 0.00 0.00 175.10 177.34 1oyp s ASP 187 N 1.97 1.63 -0.09 3.32 1.47 -0.20 -0.59 116.67 124.18 1oyp s ASP 187 Ca -0.01 -0.54 -0.10 0.00 1.18 0.00 0.00 52.55 53.08 1oyp s ASP 187 Cb -0.12 -0.07 0.03 0.00 -0.34 0.00 0.00 42.92 42.42 1oyp s ASP 187 CO -0.06 -0.03 0.27 -0.32 0.68 0.00 0.00 175.17 175.71 1oyp s MET 188 N -1.46 0.36 -0.15 2.11 1.75 0.00 -0.49 119.30 121.41 1oyp s MET 188 Ca -0.01 0.29 -0.02 0.00 -1.25 0.00 0.00 55.69 54.70 1oyp s MET 188 Cb -0.09 0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.73 1oyp s MET 188 CO 0.02 -0.05 -0.08 -0.80 -0.65 0.00 0.00 175.02 173.45 1oyp s ASN 189 N -0.06 4.33 0.19 1.11 0.02 -0.33 -0.82 114.94 119.38 1oyp s ASN 189 Ca -0.02 -0.27 0.11 0.00 -1.02 0.00 0.00 52.86 51.66 1oyp s ASN 189 Cb -0.03 -1.69 -0.04 0.00 0.02 0.00 0.00 41.25 39.51 1oyp s ASN 189 CO 0.01 0.14 -0.22 -0.69 0.02 0.00 0.00 177.10 176.35 1oyp s VAL 190 N 0.54 2.45 -0.06 1.60 1.01 -0.53 -0.82 120.40 124.60 1oyp s VAL 190 Ca -0.06 -1.96 -0.03 0.00 0.00 0.00 0.00 61.98 59.93 1oyp s VAL 190 Cb -0.15 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1oyp s VAL 190 CO 0.03 -0.10 0.11 -0.63 0.00 0.00 0.00 175.10 174.51 1oyp s ILE 191 N -1.63 -0.17 0.34 2.22 1.01 0.11 -2.24 121.20 120.84 1oyp s ILE 191 Ca 0.21 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.26 1oyp s ILE 191 Cb -0.08 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 1oyp s ILE 191 CO 0.10 0.15 0.16 -0.04 0.00 0.00 0.00 174.94 175.31 1oyp s MET 192 N 2.09 1.72 0.29 2.79 -1.94 -0.95 0.60 119.30 123.90 1oyp s MET 192 Ca 0.02 -2.00 0.09 0.00 -1.71 0.00 0.00 55.69 52.09 1oyp s MET 192 Cb -0.12 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.41 1oyp s MET 192 CO -0.04 -0.46 0.06 0.95 -0.01 0.00 0.00 175.02 175.51 1oyp s THR 193 N -3.45 3.41 0.44 2.05 -4.23 0.40 -2.71 115.64 111.56 1oyp s THR 193 Ca 0.32 -1.79 0.20 0.00 -1.18 0.00 0.00 61.69 59.24 1oyp s THR 193 Cb 0.04 -2.94 0.40 0.00 1.34 0.00 0.00 72.50 71.33 1oyp s THR 193 CO 0.17 -0.31 1.85 1.23 -0.54 0.00 0.00 174.62 177.03 1oyp h GLY 194 N 1.74 0.76 1.31 3.99 0.00 -1.78 0.96 103.07 110.04 1oyp h GLY 194 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1oyp h GLY 194 CO 0.61 -0.01 0.00 -1.26 0.00 0.00 0.00 176.54 175.88 1oyp n SER 195 N -4.48 0.00 -0.38 0.19 2.88 -1.26 -4.79 113.62 105.77 1oyp n SER 195 Ca 0.20 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.69 1oyp n SER 195 Cb 0.75 -0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 1oyp n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oyp n GLY 196 N -0.65 0.69 3.83 0.46 0.00 0.33 -5.03 105.19 104.82 1oyp n GLY 196 Ca 0.04 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1oyp n GLY 196 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oyp s ARG 197 N -2.58 3.23 0.37 1.61 1.81 -1.23 -4.85 118.95 117.31 1oyp s ARG 197 Ca 0.00 -0.37 -0.25 0.00 -1.72 0.00 0.00 55.73 53.39 1oyp s ARG 197 Cb 0.00 -2.98 -0.09 0.00 -0.45 0.00 0.00 34.95 31.43 1oyp s ARG 197 CO 0.00 0.68 1.02 -0.06 -0.68 0.00 0.00 175.30 176.26 1oyp s PHE 198 N -1.18 3.39 -0.09 -0.53 0.40 -1.26 -0.46 117.98 118.25 1oyp s PHE 198 Ca 0.22 1.68 0.04 0.00 -0.60 0.00 0.00 56.93 58.27 1oyp s PHE 198 Cb -0.12 -3.08 -0.08 0.00 0.51 0.00 0.00 43.02 40.26 1oyp s PHE 198 CO 0.13 -0.40 -0.03 0.28 0.70 0.00 0.00 175.22 175.90 1oyp n VAL 199 N 0.14 0.54 -3.64 -0.44 0.31 0.20 -4.89 118.33 110.56 1oyp n VAL 199 Ca 0.04 -0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 64.05 1oyp n VAL 199 Cb 0.50 -0.82 -0.06 0.00 -0.91 0.00 0.00 33.84 32.54 1oyp n VAL 199 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1oyp s GLU 200 N -2.19 0.26 -0.00 5.55 2.12 -1.06 -4.99 118.70 118.38 1oyp s GLU 200 Ca -0.09 0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.43 1oyp s GLU 200 Cb 0.03 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.54 1oyp s GLU 200 CO 0.27 -0.05 0.09 -0.48 -0.54 0.00 0.00 175.26 174.55 1oyp s LEU 201 N -0.18 1.73 -0.24 2.70 0.05 -1.26 0.04 118.68 121.51 1oyp s LEU 201 Ca 0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 54.13 54.01 1oyp s LEU 201 Cb -0.04 0.48 0.12 0.00 -2.05 0.00 0.00 46.19 44.70 1oyp s LEU 201 CO -0.10 -0.29 0.32 -1.58 -0.55 0.00 0.00 176.35 174.16 1oyp s GLN 202 N -1.12 0.30 -0.06 1.48 0.74 0.00 -4.99 119.66 116.03 1oyp s GLN 202 Ca -0.12 0.35 -0.00 0.00 0.05 0.00 0.00 55.36 55.64 1oyp s GLN 202 Cb -0.07 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.30 1oyp s GLN 202 CO 0.01 -0.70 -0.01 0.20 -0.55 0.00 0.00 175.29 174.24 1oyp s GLY 203 N 2.46 1.84 0.01 2.59 0.00 -1.26 -1.18 107.32 111.77 1oyp s GLY 203 Ca 0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 1oyp s GLY 203 CO -0.17 -0.66 0.03 -1.59 0.00 0.00 0.00 173.10 170.71 1oyp s THR 204 N -0.94 0.08 -0.15 0.90 2.01 0.35 -4.98 115.64 112.91 1oyp s THR 204 Ca 0.15 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1oyp s THR 204 Cb -0.11 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1oyp s THR 204 CO 0.05 -0.35 -0.18 -0.83 -0.69 0.00 0.00 174.62 172.62 1oyp s GLY 205 N -1.09 1.43 -0.45 4.40 0.00 -1.26 -1.03 107.32 109.31 1oyp s GLY 205 Ca -0.12 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 1oyp s GLY 205 CO -0.00 -0.01 0.38 1.85 0.00 0.00 0.00 173.10 175.32 1oyp s GLU 206 N 0.79 2.99 -1.51 2.90 2.12 0.30 -4.39 118.70 121.90 1oyp s GLU 206 Ca -0.06 -1.20 -0.10 0.00 0.36 0.00 0.00 54.97 53.97 1oyp s GLU 206 Cb -0.15 -4.07 0.07 0.00 0.26 0.00 0.00 34.13 30.23 1oyp s GLU 206 CO -0.00 -0.94 0.77 0.39 -0.54 0.00 0.00 175.26 174.94 1oyp n GLU 207 N 5.25 -4.39 -3.63 4.30 1.02 -1.26 -4.72 120.64 117.21 1oyp n GLU 207 Ca -0.11 0.51 -0.04 0.00 -0.02 0.00 0.00 57.16 57.50 1oyp n GLU 207 Cb 0.45 -5.14 -0.04 0.00 -0.02 0.00 0.00 31.44 26.69 1oyp n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oyp s ALA 208 N -3.50 -2.09 0.35 0.62 0.00 -1.26 -5.07 121.76 110.81 1oyp s ALA 208 Ca 0.43 1.82 0.08 0.00 0.00 0.00 0.00 51.96 54.29 1oyp s ALA 208 Cb -0.22 -1.24 -0.07 0.00 0.00 0.00 0.00 23.12 21.59 1oyp s ALA 208 CO 0.86 -0.29 -0.05 0.95 0.00 0.00 0.00 175.76 177.24 1oyp s THR 209 N -1.17 1.99 -0.01 0.00 -4.23 -1.26 -4.36 115.64 106.59 1oyp s THR 209 Ca 0.07 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1oyp s THR 209 Cb -0.01 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1oyp s THR 209 CO -0.06 -0.15 -0.06 0.72 -0.54 0.00 0.00 174.62 174.53 1oyp s PHE 210 N -2.76 0.59 1.28 3.99 -0.71 -1.26 -5.04 117.98 114.06 1oyp s PHE 210 Ca 0.33 -0.12 -0.21 0.00 -1.04 0.00 0.00 56.93 55.89 1oyp s PHE 210 Cb 0.05 -0.41 0.32 0.00 -1.21 0.00 0.00 43.02 41.77 1oyp s PHE 210 CO 0.16 -0.04 1.08 -1.54 -1.34 0.00 0.00 175.22 173.54 1oyp s SER 211 N 0.04 0.28 0.20 1.98 1.04 -1.26 -4.85 113.70 111.13 1oyp s SER 211 Ca -0.00 0.58 0.06 0.00 0.48 0.00 0.00 55.95 57.06 1oyp s SER 211 Cb -0.05 -0.76 0.10 0.00 0.10 0.00 0.00 66.02 65.41 1oyp s SER 211 CO -0.00 -4.51 1.46 -0.09 0.98 0.00 0.00 173.24 171.07 1oyp h ARG 212 N -2.85 0.11 0.00 4.02 9.65 -2.01 -2.80 114.38 120.51 1oyp h ARG 212 Ca -0.43 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.26 1oyp h ARG 212 Cb 1.29 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.89 1oyp h ARG 212 CO 0.29 0.83 -0.40 1.05 2.80 0.00 0.00 179.97 184.55 1oyp h GLU 213 N 0.07 0.00 -0.11 0.20 9.09 -1.99 -1.45 114.58 120.38 1oyp h GLU 213 Ca -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 1oyp h GLU 213 Cb 1.37 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.47 1oyp h GLU 213 CO 0.11 0.40 -0.14 -0.44 0.05 0.00 0.00 179.01 178.99 1oyp h ASP 214 N 0.00 0.32 -0.61 3.06 3.45 -1.87 -2.70 116.42 118.08 1oyp h ASP 214 Ca -0.00 -0.50 0.01 0.00 0.43 0.00 0.00 57.03 56.97 1oyp h ASP 214 Cb 0.73 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.38 1oyp h ASP 214 CO 0.05 0.76 0.40 0.25 -1.57 0.00 0.00 179.24 179.13 1oyp h LEU 215 N -0.11 0.68 -0.77 1.55 5.85 -1.24 -1.02 115.31 120.24 1oyp h LEU 215 Ca 0.02 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1oyp h LEU 215 Cb 0.68 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1oyp h LEU 215 CO 0.03 0.49 0.08 0.78 -0.34 0.00 0.00 178.44 179.48 1oyp h ASN 216 N 0.80 0.96 -0.40 1.25 4.21 -1.19 -0.10 115.58 121.12 1oyp h ASN 216 Ca 0.23 -0.23 -0.16 0.00 1.21 0.00 0.00 56.30 57.35 1oyp h ASN 216 Cb -0.06 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.87 1oyp h ASN 216 CO -0.05 0.98 -0.36 1.23 -1.29 0.00 0.00 177.43 177.94 1oyp h GLY 217 N 1.03 1.03 0.89 2.83 0.00 -0.99 -1.94 103.07 105.93 1oyp h GLY 217 Ca 0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 1oyp h GLY 217 CO 0.01 0.93 0.07 1.41 0.00 0.00 0.00 176.54 178.96 1oyp h LEU 218 N 0.78 0.45 -1.56 3.11 3.38 -0.96 -1.52 115.31 119.00 1oyp h LEU 218 Ca 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1oyp h LEU 218 Cb 0.95 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1oyp h LEU 218 CO 0.09 0.57 -0.13 -0.07 0.09 0.00 0.00 178.44 178.99 1oyp h LEU 219 N 0.31 0.12 -0.15 1.67 3.38 -1.00 -0.61 115.31 119.02 1oyp h LEU 219 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1oyp h LEU 219 Cb 0.30 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1oyp h LEU 219 CO 0.00 0.26 -0.02 1.23 0.09 0.00 0.00 178.44 180.00 1oyp h GLY 220 N 0.59 0.31 1.54 0.83 0.00 -0.90 -2.23 103.07 103.21 1oyp h GLY 220 Ca 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1oyp h GLY 220 CO 0.02 0.22 -0.03 1.41 0.00 0.00 0.00 176.54 178.16 1oyp h LEU 221 N -0.00 0.54 0.05 3.11 3.38 -0.83 -2.50 115.31 119.06 1oyp h LEU 221 Ca 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1oyp h LEU 221 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1oyp h LEU 221 CO 0.01 0.63 -0.02 0.00 0.09 0.00 0.00 178.44 179.15 1oyp h ALA 222 N 1.43 -0.07 -0.97 1.53 0.00 -1.00 -1.04 119.26 119.14 1oyp h ALA 222 Ca 0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1oyp h ALA 222 Cb 0.39 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1oyp h ALA 222 CO 0.02 -0.48 0.63 0.93 0.00 0.00 0.00 179.25 180.34 1oyp h GLU 223 N -0.18 1.11 0.25 0.00 5.08 -1.25 0.12 114.58 119.71 1oyp h GLU 223 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1oyp h GLU 223 Cb 0.16 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1oyp h GLU 223 CO 0.01 0.74 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.42 1oyp h LYS 224 N 1.15 -0.32 -0.61 2.33 3.64 -1.18 -1.67 116.57 119.90 1oyp h LYS 224 Ca 0.41 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1oyp h LYS 224 Cb 0.14 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1oyp h LYS 224 CO -0.15 -0.10 0.26 0.78 -2.27 0.00 0.00 179.45 177.97 1oyp h GLY 225 N -0.51 0.97 1.98 5.01 0.00 -0.79 -2.70 103.07 107.03 1oyp h GLY 225 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1oyp h GLY 225 CO 0.06 0.49 -0.41 -2.22 0.00 0.00 0.00 176.54 174.45 1oyp h ILE 226 N 0.85 1.30 0.00 2.60 2.04 -0.78 -2.10 117.51 121.41 1oyp h ILE 226 Ca 0.21 -1.42 -0.13 0.00 1.00 0.00 0.00 64.86 64.52 1oyp h ILE 226 Cb 0.18 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1oyp h ILE 226 CO -0.02 0.41 -0.62 1.56 0.00 0.00 0.00 178.15 179.48 1oyp h GLN 227 N 0.02 0.00 -0.04 2.37 1.08 -1.12 -1.64 115.11 115.78 1oyp h GLN 227 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1oyp h GLN 227 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1oyp h GLN 227 CO 0.05 0.62 -0.85 0.93 -0.95 0.00 0.00 178.83 178.64 1oyp h GLU 228 N 0.00 0.44 -0.22 1.46 5.08 -1.16 -2.46 114.58 117.71 1oyp h GLU 228 Ca -0.01 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1oyp h GLU 228 Cb 1.13 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1oyp h GLU 228 CO 0.08 1.06 -0.07 -0.07 -1.00 0.00 0.00 179.01 179.01 1oyp h LEU 229 N 0.27 0.45 -1.04 1.33 3.38 -1.24 -2.30 115.31 116.16 1oyp h LEU 229 Ca -0.06 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1oyp h LEU 229 Cb 1.46 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1oyp h LEU 229 CO 0.15 0.73 0.28 0.40 0.09 0.00 0.00 178.44 180.09 1oyp h ILE 230 N 0.17 1.23 -0.45 1.22 2.04 -1.34 0.09 117.51 120.47 1oyp h ILE 230 Ca 0.06 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1oyp h ILE 230 Cb 0.54 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1oyp h ILE 230 CO 0.03 0.28 0.29 0.44 0.00 0.00 0.00 178.15 179.19 1oyp h ASP 231 N 0.95 0.51 -0.28 1.72 5.19 -1.32 -0.76 116.42 122.43 1oyp h ASP 231 Ca 0.23 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 1oyp h ASP 231 Cb 0.16 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1oyp h ASP 231 CO -0.02 0.38 0.01 0.11 -3.12 0.00 0.00 179.24 176.59 1oyp h LYS 232 N 0.60 0.61 -0.29 3.56 1.57 -0.83 -1.54 116.57 120.26 1oyp h LYS 232 Ca 0.16 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1oyp h LYS 232 Cb -0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1oyp h LYS 232 CO -0.03 0.62 0.05 1.96 -0.57 0.00 0.00 179.45 181.48 1oyp h GLN 233 N 0.58 0.42 -0.02 3.15 4.20 0.04 -2.17 115.11 121.30 1oyp h GLN 233 Ca 0.12 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1oyp h GLN 233 Cb 0.36 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1oyp h GLN 233 CO 0.01 0.41 -0.16 0.87 -0.67 0.00 0.00 178.83 179.29 1oyp h LYS 234 N 0.42 0.15 -0.09 1.46 1.57 -0.19 -0.58 116.57 119.30 1oyp h LYS 234 Ca 0.10 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1oyp h LYS 234 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1oyp h LYS 234 CO -0.00 0.81 -0.16 1.05 -0.57 0.00 0.00 179.45 180.58 1oyp h GLU 235 N -0.46 0.15 0.00 3.15 4.11 -1.31 -0.58 114.58 119.65 1oyp h GLU 235 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1oyp h GLU 235 Cb 0.85 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1oyp h GLU 235 CO 0.03 0.32 -0.06 0.28 0.07 0.00 0.00 179.01 179.65 1oyp h VAL 236 N 0.14 1.77 0.95 -1.06 2.07 -1.45 -3.38 116.25 115.29 1oyp h VAL 236 Ca 0.03 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 65.15 1oyp h VAL 236 Cb 0.38 3.37 0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1oyp h VAL 236 CO 0.02 0.61 -0.46 0.25 0.02 0.00 0.00 177.57 178.01 1oyp h LEU 237 N -0.98 -1.08 0.00 2.57 5.85 -1.06 -3.45 115.31 117.16 1oyp h LEU 237 Ca -0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1oyp h LEU 237 Cb 1.03 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1oyp h LEU 237 CO -0.00 -0.76 0.00 0.61 -0.34 0.00 0.00 178.44 177.95 1oyp n GLY 238 N -1.54 2.31 0.26 3.75 0.00 -0.23 -1.88 105.19 107.85 1oyp n GLY 238 Ca -0.16 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1oyp n GLY 238 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1oyp h ASP 239 N 0.00 0.00 -0.03 1.61 1.82 -1.90 -2.71 116.42 115.22 1oyp h ASP 239 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1oyp h ASP 239 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1oyp h ASP 239 CO 0.00 0.00 0.00 -1.54 -1.61 0.00 0.00 179.24 176.09 1oyp n SER 240 N -2.59 0.19 -3.62 2.28 3.41 -0.79 -4.77 113.62 107.73 1oyp n SER 240 Ca -0.02 -1.77 -0.01 0.00 -0.26 0.00 0.00 58.87 56.81 1oyp n SER 240 Cb 0.24 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1oyp n SER 240 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oyp s LEU 241 N -1.24 -0.41 0.01 1.04 2.96 -1.02 -4.36 118.68 115.65 1oyp s LEU 241 Ca 0.13 0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 54.58 1oyp s LEU 241 Cb 0.06 1.58 -0.05 0.00 0.50 0.00 0.00 46.19 48.28 1oyp s LEU 241 CO 0.10 -0.10 0.33 -2.16 -1.32 0.00 0.00 176.35 173.21 1oyp s PRO 242 N 1.37 3.72 0.00 0.98 0.04 -1.26 -4.79 135.00 135.07 1oyp s PRO 242 Ca -0.08 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1oyp s PRO 242 Cb -0.03 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1oyp s PRO 242 CO -0.14 0.66 0.00 -0.85 0.04 0.00 0.00 177.00 176.71