#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za3 s ILE 2 N 0.00 4.00 -0.12 5.18 1.01 -1.26 -4.99 121.20 125.02 1za3 s ILE 2 Ca 0.00 1.77 0.02 0.00 0.00 0.00 0.00 60.65 62.44 1za3 s ILE 2 Cb 0.00 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1za3 s ILE 2 CO 0.00 0.32 -0.19 -1.58 0.00 0.00 0.00 174.94 173.50 1za3 s GLN 3 N -0.50 2.59 -0.01 2.79 0.74 -1.26 -4.88 119.66 119.13 1za3 s GLN 3 Ca 0.47 -0.70 -0.08 0.00 0.05 0.00 0.00 55.36 55.10 1za3 s GLN 3 Cb -0.28 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.67 1za3 s GLN 3 CO 0.34 -0.01 0.28 -1.64 -0.55 0.00 0.00 175.29 173.71 1za3 s MET 4 N 0.83 3.63 -0.35 1.67 -1.94 -1.26 -0.74 119.30 121.14 1za3 s MET 4 Ca -0.09 0.02 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 1za3 s MET 4 Cb -0.16 -3.11 0.11 0.00 2.01 0.00 0.00 34.83 33.68 1za3 s MET 4 CO -0.00 0.67 0.12 0.99 -0.01 0.00 0.00 175.02 176.78 1za3 s THR 5 N -1.23 1.46 0.50 2.05 2.01 -0.35 -4.36 115.64 115.72 1za3 s THR 5 Ca 0.25 -1.97 -0.18 0.00 0.31 0.00 0.00 61.69 60.10 1za3 s THR 5 Cb -0.14 -2.07 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 1za3 s THR 5 CO 0.14 -0.70 1.00 -1.10 -0.69 0.00 0.00 174.62 173.27 1za3 s GLN 6 N 1.09 3.87 -0.19 4.92 -0.21 -1.26 -1.73 119.66 126.15 1za3 s GLN 6 Ca 0.12 1.13 -0.09 0.00 0.02 0.00 0.00 55.36 56.55 1za3 s GLN 6 Cb -0.19 -2.12 0.07 0.00 1.00 0.00 0.00 33.01 31.77 1za3 s GLN 6 CO -0.14 -0.35 0.43 -1.54 -2.12 0.00 0.00 175.29 171.57 1za3 s SER 7 N -2.55 -0.42 0.81 5.90 1.04 -0.15 -4.57 113.70 113.76 1za3 s SER 7 Ca 0.62 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.91 1za3 s SER 7 Cb -0.12 1.07 0.10 0.00 0.10 0.00 0.00 66.02 67.16 1za3 s SER 7 CO 0.25 -0.21 1.16 -2.16 0.98 0.00 0.00 173.24 173.26 1za3 s PRO 8 N 1.96 1.79 0.31 4.02 0.05 -1.26 -1.20 135.00 140.67 1za3 s PRO 8 Ca -0.06 -0.09 0.06 0.00 0.05 0.00 0.00 61.00 60.96 1za3 s PRO 8 Cb -0.10 -1.99 0.51 0.00 0.05 0.00 0.00 34.50 32.98 1za3 s PRO 8 CO -0.13 -1.65 1.76 0.77 0.05 0.00 0.00 177.00 177.79 1za3 h SER 9 N -1.04 0.33 -4.08 6.66 0.02 -1.81 -3.39 113.55 110.24 1za3 h SER 9 Ca -0.45 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 1za3 h SER 9 Cb 1.31 -0.09 -0.22 0.00 0.14 0.00 0.00 62.40 63.54 1za3 h SER 9 CO 0.59 0.61 0.23 -0.94 -1.14 0.00 0.00 176.83 176.19 1za3 s SER 10 N -6.85 -0.65 0.03 3.07 1.04 -1.26 -2.23 113.70 106.85 1za3 s SER 10 Ca -0.06 1.10 0.02 0.00 0.48 0.00 0.00 55.95 57.50 1za3 s SER 10 Cb 0.14 1.07 -0.02 0.00 0.10 0.00 0.00 66.02 67.31 1za3 s SER 10 CO 0.77 -0.32 -0.08 -1.48 0.98 0.00 0.00 173.24 173.11 1za3 s LEU 11 N -0.10 2.20 -0.14 2.42 0.05 -0.87 -4.92 118.68 117.31 1za3 s LEU 11 Ca -0.02 -0.44 -0.06 0.00 0.05 0.00 0.00 54.13 53.65 1za3 s LEU 11 Cb -0.04 -0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 43.85 1za3 s LEU 11 CO 0.02 -0.13 0.08 -0.44 -0.55 0.00 0.00 176.35 175.32 1za3 s SER 12 N -1.23 5.81 -0.04 1.48 0.01 -1.26 -1.30 113.70 117.16 1za3 s SER 12 Ca -0.07 0.22 -0.20 0.00 1.31 0.00 0.00 55.95 57.22 1za3 s SER 12 Cb -0.08 -1.90 0.04 0.00 0.21 0.00 0.00 66.02 64.29 1za3 s SER 12 CO 0.00 0.29 0.44 0.00 0.41 0.00 0.00 173.24 174.38 1za3 s ALA 13 N -0.31 -1.13 0.75 1.44 0.00 -1.09 -4.77 121.76 116.64 1za3 s ALA 13 Ca 0.09 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 1za3 s ALA 13 Cb -0.12 -0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.06 1za3 s ALA 13 CO 0.01 -0.29 1.05 -1.12 0.00 0.00 0.00 175.76 175.42 1za3 s SER 14 N -1.10 4.38 0.25 0.00 0.01 -1.26 -1.95 113.70 114.02 1za3 s SER 14 Ca -0.11 0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1za3 s SER 14 Cb -0.03 -0.64 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 1za3 s SER 14 CO 0.06 -1.86 1.04 -0.69 0.41 0.00 0.00 173.24 172.20 1za3 s VAL 15 N -3.32 3.76 0.00 3.43 1.01 -1.26 -2.89 120.40 121.14 1za3 s VAL 15 Ca 0.64 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.35 1za3 s VAL 15 Cb -0.08 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1za3 s VAL 15 CO 0.46 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1za3 n GLY 16 N 1.45 2.30 3.75 4.51 0.00 -0.72 -4.95 105.19 111.54 1za3 n GLY 16 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1za3 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1za3 s ASP 17 N 0.31 7.06 0.34 1.61 1.01 -1.14 -3.94 116.67 121.91 1za3 s ASP 17 Ca 0.00 2.32 -0.27 0.00 0.71 0.00 0.00 52.55 55.31 1za3 s ASP 17 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 1za3 s ASP 17 CO 0.00 -0.36 1.13 -0.60 0.21 0.00 0.00 175.17 175.54 1za3 s ARG 18 N -0.69 4.38 -0.03 8.23 3.52 -1.25 -1.97 118.95 131.13 1za3 s ARG 18 Ca 0.51 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 1za3 s ARG 18 Cb -0.34 -2.93 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1za3 s ARG 18 CO 0.40 -0.02 0.00 0.08 -0.81 0.00 0.00 175.30 174.95 1za3 s VAL 19 N -1.32 0.18 -0.12 7.11 1.01 0.10 -4.99 120.40 122.38 1za3 s VAL 19 Ca 0.50 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1za3 s VAL 19 Cb -0.30 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1za3 s VAL 19 CO 0.39 0.16 -0.20 0.42 0.00 0.00 0.00 175.10 175.87 1za3 s THR 20 N 1.15 1.86 -0.19 3.92 -4.23 -1.26 -1.33 115.64 115.56 1za3 s THR 20 Ca -0.08 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1za3 s THR 20 Cb -0.13 -1.65 0.02 0.00 1.34 0.00 0.00 72.50 72.07 1za3 s THR 20 CO -0.02 0.51 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.77 1za3 s ILE 21 N 0.82 2.28 0.14 2.99 1.01 -0.31 -4.76 121.20 123.37 1za3 s ILE 21 Ca -0.08 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1za3 s ILE 21 Cb -0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1za3 s ILE 21 CO -0.01 0.49 0.21 0.28 0.00 0.00 0.00 174.94 175.91 1za3 s THR 22 N 1.31 4.97 -0.12 2.92 -1.32 -0.34 -0.77 115.64 122.29 1za3 s THR 22 Ca 0.04 -0.80 -0.05 0.00 -1.21 0.00 0.00 61.69 59.67 1za3 s THR 22 Cb -0.14 -3.53 0.06 0.00 -1.51 0.00 0.00 72.50 67.38 1za3 s THR 22 CO -0.11 -0.06 0.25 0.00 -2.21 0.00 0.00 174.62 172.50 1za3 s ARG 24 N 1.86 2.85 0.10 0.00 3.52 -0.71 -1.57 118.95 125.01 1za3 s ARG 24 Ca -0.04 -0.79 -0.18 0.00 -0.13 0.00 0.00 55.73 54.60 1za3 s ARG 24 Cb -0.11 -2.38 -0.07 0.00 -1.56 0.00 0.00 34.95 30.83 1za3 s ARG 24 CO -0.09 -0.09 0.57 0.00 -0.81 0.00 0.00 175.30 174.88 1za3 s ALA 25 N 1.03 3.58 0.29 6.12 0.00 -0.66 -1.22 121.76 130.91 1za3 s ALA 25 Ca -0.03 -0.01 0.24 0.00 0.00 0.00 0.00 51.96 52.16 1za3 s ALA 25 Cb -0.14 -2.60 1.12 0.00 0.00 0.00 0.00 23.12 21.49 1za3 s ALA 25 CO -0.06 0.41 1.93 0.66 0.00 0.00 0.00 175.76 178.71 1za3 h SER 26 N 4.19 0.00 -4.24 0.00 4.64 -1.28 -3.44 113.55 113.41 1za3 h SER 26 Ca -0.49 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.48 1za3 h SER 26 Cb 1.21 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.15 1za3 h SER 26 CO 0.64 0.21 -0.64 -1.10 -0.87 0.00 0.00 176.83 175.07 1za3 s GLN 27 N -3.95 1.30 -0.05 4.77 -0.21 -1.26 -4.96 119.66 115.30 1za3 s GLN 27 Ca -0.01 -1.67 -0.30 0.00 0.02 0.00 0.00 55.36 53.40 1za3 s GLN 27 Cb 0.12 -0.41 -0.06 0.00 1.00 0.00 0.00 33.01 33.67 1za3 s GLN 27 CO 0.63 -0.17 1.68 0.34 -2.12 0.00 0.00 175.29 175.65 1za3 s ASP 28 N -3.27 6.64 -0.35 5.90 -1.08 -1.26 -4.72 116.67 118.52 1za3 s ASP 28 Ca 0.30 2.26 0.07 0.00 -0.52 0.00 0.00 52.55 54.66 1za3 s ASP 28 Cb 0.07 -2.53 0.44 0.00 -1.46 0.00 0.00 42.92 39.44 1za3 s ASP 28 CO 0.09 -0.95 1.14 1.33 0.52 0.00 0.00 175.17 177.30 1za3 n VAL 29 N 5.52 2.35 -0.04 1.11 0.24 -0.78 -5.04 118.33 121.68 1za3 n VAL 29 Ca 0.18 -4.43 0.00 0.00 -2.04 0.00 0.00 64.34 58.05 1za3 n VAL 29 Cb 0.43 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 1za3 n VAL 29 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1za3 n ASN 30 N -0.58 0.00 -3.39 -1.34 5.15 -1.26 -1.72 115.26 112.12 1za3 n ASN 30 Ca 0.39 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 54.11 1za3 n ASN 30 Cb 0.82 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.99 1za3 n ASN 30 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1za3 n THR 31 N 0.00 1.08 -2.71 -0.44 5.66 -1.26 -0.07 114.28 116.54 1za3 n THR 31 Ca 0.00 -4.69 -0.07 0.00 -3.05 0.00 0.00 64.05 56.25 1za3 n THR 31 Cb 0.00 -2.04 0.04 0.00 -1.55 0.00 0.00 70.33 66.78 1za3 n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1za3 n ALA 32 N 1.26 3.20 -3.26 1.79 0.00 -0.70 -4.46 120.51 118.34 1za3 n ALA 32 Ca 0.26 -3.05 -0.26 0.00 0.00 0.00 0.00 53.44 50.39 1za3 n ALA 32 Cb 0.45 -0.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 1za3 n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1za3 s VAL 33 N -3.53 1.35 0.24 0.00 1.01 -1.26 -1.97 120.40 116.25 1za3 s VAL 33 Ca 0.29 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1za3 s VAL 33 Cb 0.40 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1za3 s VAL 33 CO -0.00 0.40 -0.09 0.00 0.00 0.00 0.00 175.10 175.41 1za3 s ALA 34 N 0.43 2.96 -0.05 5.51 0.00 -0.54 -1.80 121.76 128.28 1za3 s ALA 34 Ca -0.12 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.18 1za3 s ALA 34 Cb -0.15 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1za3 s ALA 34 CO 0.04 0.33 -0.06 -1.58 0.00 0.00 0.00 175.76 174.49 1za3 s TRP 35 N -2.19 0.87 0.11 0.00 0.52 -0.57 -0.76 118.94 116.93 1za3 s TRP 35 Ca 0.29 -0.26 0.09 0.00 0.02 0.00 0.00 56.10 56.24 1za3 s TRP 35 Cb -0.07 -0.74 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1za3 s TRP 35 CO 0.17 -0.21 -0.21 0.71 0.02 0.00 0.00 176.95 177.43 1za3 s TYR 36 N 0.90 2.47 -0.02 -1.98 2.02 0.14 -1.62 117.35 119.26 1za3 s TYR 36 Ca -0.11 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1za3 s TYR 36 Cb -0.14 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1za3 s TYR 36 CO 0.00 0.36 0.09 -1.14 -1.57 0.00 0.00 175.55 173.29 1za3 s GLN 37 N -2.05 3.12 -0.14 -0.62 0.74 0.77 -1.17 119.66 120.32 1za3 s GLN 37 Ca 0.16 -0.44 -0.12 0.00 0.05 0.00 0.00 55.36 55.01 1za3 s GLN 37 Cb -0.10 -2.90 0.04 0.00 1.10 0.00 0.00 33.01 31.15 1za3 s GLN 37 CO 0.08 0.66 0.36 -1.14 -0.55 0.00 0.00 175.29 174.71 1za3 s GLN 38 N -1.67 0.41 0.18 1.67 0.74 -0.14 -0.18 119.66 120.67 1za3 s GLN 38 Ca 0.22 0.54 0.11 0.00 0.05 0.00 0.00 55.36 56.28 1za3 s GLN 38 Cb -0.12 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 1za3 s GLN 38 CO 0.13 -0.07 -0.23 0.15 -0.55 0.00 0.00 175.29 174.72 1za3 s LYS 39 N 0.41 1.45 -0.21 1.67 1.02 -1.26 -1.59 119.74 121.23 1za3 s LYS 39 Ca -0.02 -1.49 -0.41 0.00 0.02 0.00 0.00 55.97 54.07 1za3 s LYS 39 Cb -0.04 -1.73 -0.18 0.00 -0.52 0.00 0.00 37.83 35.36 1za3 s LYS 39 CO -0.02 0.37 1.48 -2.30 -0.92 0.00 0.00 175.35 173.96 1za3 n PRO 40 N 0.31 0.56 0.00 -1.68 -0.02 -1.26 -1.49 135.00 131.42 1za3 n PRO 40 Ca -0.13 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1za3 n PRO 40 Cb 0.56 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1za3 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1za3 n GLY 41 N 3.22 2.61 3.90 -1.23 0.00 -1.26 -4.96 105.19 107.48 1za3 n GLY 41 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1za3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za3 s LYS 42 N -0.01 3.46 0.24 1.61 3.01 -0.55 -5.07 119.74 122.43 1za3 s LYS 42 Ca 0.00 0.28 -0.08 0.00 -1.01 0.00 0.00 55.97 55.16 1za3 s LYS 42 Cb 0.00 -2.30 -0.07 0.00 -1.01 0.00 0.00 37.83 34.45 1za3 s LYS 42 CO 0.00 -0.35 0.54 0.00 0.51 0.00 0.00 175.35 176.05 1za3 s ALA 43 N -2.87 3.59 0.45 5.17 0.00 -1.26 -4.41 121.76 122.43 1za3 s ALA 43 Ca 0.50 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 1za3 s ALA 43 Cb -0.10 -2.39 -0.12 0.00 0.00 0.00 0.00 23.12 20.50 1za3 s ALA 43 CO 0.47 0.47 0.48 -2.30 0.00 0.00 0.00 175.76 174.87 1za3 n PRO 44 N -0.28 0.50 -4.62 0.00 -0.02 -1.26 -4.76 135.00 124.56 1za3 n PRO 44 Ca -0.00 0.19 -0.27 0.00 -2.02 0.00 0.00 63.50 61.39 1za3 n PRO 44 Cb 0.53 -1.48 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 1za3 n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1za3 s LYS 45 N -1.60 1.46 0.10 -0.52 3.01 0.75 -4.97 119.74 117.97 1za3 s LYS 45 Ca 0.63 -1.08 -0.23 0.00 -1.01 0.00 0.00 55.97 54.29 1za3 s LYS 45 Cb -0.57 -1.68 -0.07 0.00 -1.01 0.00 0.00 37.83 34.50 1za3 s LYS 45 CO 0.58 0.42 0.68 -1.17 0.51 0.00 0.00 175.35 176.37 1za3 s LEU 46 N -1.44 4.53 0.04 3.17 2.96 -1.26 -0.16 118.68 126.51 1za3 s LEU 46 Ca 0.09 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1za3 s LEU 46 Cb -0.09 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1za3 s LEU 46 CO 0.03 0.19 -0.04 0.18 -1.32 0.00 0.00 176.35 175.39 1za3 n LEU 47 N 1.95 0.87 -4.39 -0.68 4.77 -0.64 -4.82 117.00 114.06 1za3 n LEU 47 Ca -0.07 0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 1za3 n LEU 47 Cb 0.50 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 1za3 n LEU 47 CO 0.44 -0.62 -0.50 -0.63 -1.33 0.00 0.00 177.39 174.75 1za3 s ILE 48 N -1.80 2.67 0.33 -0.08 1.09 -1.18 0.05 121.20 122.28 1za3 s ILE 48 Ca -0.03 -0.86 0.05 0.00 -1.10 0.00 0.00 60.65 58.71 1za3 s ILE 48 Cb 0.00 -2.02 -0.07 0.00 -1.06 0.00 0.00 42.46 39.32 1za3 s ILE 48 CO 0.05 0.58 0.02 -0.72 -0.10 0.00 0.00 174.94 174.77 1za3 s TYR 49 N -0.46 2.06 0.00 3.97 -0.85 0.16 -1.51 117.35 120.71 1za3 s TYR 49 Ca 0.05 -0.85 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 1za3 s TYR 49 Cb -0.12 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 40.89 1za3 s TYR 49 CO 0.01 0.15 0.00 0.00 -1.52 0.00 0.00 175.55 174.19 1za3 n ALA 50 N -0.71 0.00 0.00 9.51 0.00 -1.24 -1.33 120.51 126.73 1za3 n ALA 50 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1za3 n ALA 50 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1za3 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1za3 n ALA 51 N 0.87 0.00 0.16 0.00 0.00 -0.74 -3.65 120.51 117.14 1za3 n ALA 51 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1za3 n ALA 51 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1za3 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1za3 n SER 52 N 0.00 1.00 -4.73 0.00 3.41 -1.22 -2.04 113.62 110.05 1za3 n SER 52 Ca 0.00 -0.47 -0.40 0.00 -0.26 0.00 0.00 58.87 57.74 1za3 n SER 52 Cb 0.00 1.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.94 1za3 n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1za3 s TYR 53 N -1.59 3.63 -0.11 7.33 1.51 -0.44 -4.34 117.35 123.33 1za3 s TYR 53 Ca 0.01 1.32 -0.15 0.00 -1.01 0.00 0.00 57.07 57.24 1za3 s TYR 53 Cb 0.03 -2.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.04 1za3 s TYR 53 CO 0.17 0.16 0.36 -1.17 -1.11 0.00 0.00 175.55 173.97 1za3 s LEU 54 N 0.47 4.31 0.42 -1.29 2.96 -1.26 0.35 118.68 124.64 1za3 s LEU 54 Ca 0.38 0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 54.75 1za3 s LEU 54 Cb -0.19 -2.50 -0.10 0.00 0.50 0.00 0.00 46.19 43.91 1za3 s LEU 54 CO 0.20 0.13 0.99 -0.47 -1.32 0.00 0.00 176.35 175.87 1za3 s TYR 55 N 0.13 3.28 -0.27 5.38 5.04 0.11 -4.88 117.35 126.14 1za3 s TYR 55 Ca 0.21 1.63 -0.40 0.00 -2.44 0.00 0.00 57.07 56.07 1za3 s TYR 55 Cb -0.14 -2.96 -0.15 0.00 0.35 0.00 0.00 41.96 39.05 1za3 s TYR 55 CO 0.08 -0.32 1.77 0.45 -1.34 0.00 0.00 175.55 176.19 1za3 n SER 56 N -0.44 2.47 0.00 4.32 2.88 -1.26 -1.52 113.62 120.06 1za3 n SER 56 Ca 0.06 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1za3 n SER 56 Cb 0.52 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1za3 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1za3 n GLY 57 N 4.31 3.02 3.57 0.46 0.00 -1.26 -5.03 105.19 110.25 1za3 n GLY 57 Ca 0.27 -0.56 -0.55 0.00 0.00 0.00 0.00 46.02 45.17 1za3 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1za3 n VAL 58 N 0.00 0.01 -1.48 1.61 0.31 -0.58 -4.88 118.33 113.33 1za3 n VAL 58 Ca 0.00 -0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1za3 n VAL 58 Cb 0.00 -0.51 0.06 0.00 -0.91 0.00 0.00 33.84 32.48 1za3 n VAL 58 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1za3 n PRO 59 N 2.32 0.64 0.00 5.55 -0.02 -1.26 -4.85 135.00 137.37 1za3 n PRO 59 Ca 0.20 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1za3 n PRO 59 Cb 0.14 -2.05 0.59 0.00 -0.02 0.00 0.00 33.50 32.15 1za3 n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1za3 n SER 60 N -0.73 0.00 0.21 2.55 7.64 -1.26 -2.90 113.62 119.12 1za3 n SER 60 Ca 0.13 0.42 0.15 0.00 1.01 0.00 0.00 58.87 60.58 1za3 n SER 60 Cb 0.48 -0.47 0.57 0.00 -1.01 0.00 0.00 64.21 63.78 1za3 n SER 60 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1za3 h ARG 61 N 0.00 0.00 -6.32 1.43 0.11 -1.93 -3.42 114.38 104.25 1za3 h ARG 61 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1za3 h ARG 61 Cb 0.44 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.49 1za3 h ARG 61 CO 0.00 0.00 0.30 -0.06 0.10 0.00 0.00 179.97 180.31 1za3 s PHE 62 N -3.48 3.64 -0.03 4.08 0.40 -1.14 -1.42 117.98 120.04 1za3 s PHE 62 Ca 0.03 1.59 -0.01 0.00 -0.60 0.00 0.00 56.93 57.94 1za3 s PHE 62 Cb 0.09 -3.04 0.03 0.00 0.51 0.00 0.00 43.02 40.61 1za3 s PHE 62 CO 0.49 0.02 0.05 0.45 0.70 0.00 0.00 175.22 176.92 1za3 s SER 63 N 0.93 0.27 -0.06 1.36 0.15 -0.34 -4.99 113.70 111.03 1za3 s SER 63 Ca 0.48 0.08 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1za3 s SER 63 Cb -0.20 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1za3 s SER 63 CO 0.25 -0.16 -0.07 -0.83 1.20 0.00 0.00 173.24 173.64 1za3 s GLY 64 N 1.32 1.70 -0.30 9.45 0.00 -1.26 -0.45 107.32 117.77 1za3 s GLY 64 Ca -0.06 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.83 1za3 s GLY 64 CO -0.03 -0.69 1.25 -1.14 0.00 0.00 0.00 173.10 172.48 1za3 n SER 65 N 2.14 -1.34 -1.12 1.64 3.41 -0.86 -3.94 113.62 113.55 1za3 n SER 65 Ca -0.18 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1za3 n SER 65 Cb 0.53 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1za3 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1za3 n GLY 66 N -0.84 5.13 0.00 5.00 0.00 -1.26 -4.41 105.19 108.81 1za3 n GLY 66 Ca -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1za3 n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1za3 n SER 67 N -1.06 0.00 0.00 1.61 2.88 -1.09 -4.75 113.62 111.21 1za3 n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1za3 n SER 67 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1za3 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1za3 n GLY 68 N 0.00 1.76 0.00 0.46 0.00 0.90 -4.66 105.19 103.64 1za3 n GLY 68 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1za3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1za3 n THR 69 N 0.00 0.00 -3.36 2.61 -2.24 -1.26 -1.86 114.28 108.17 1za3 n THR 69 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1za3 n THR 69 Cb 0.00 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 1za3 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1za3 s ASP 70 N -2.99 6.76 -0.05 3.42 1.01 -1.26 -1.65 116.67 121.91 1za3 s ASP 70 Ca 0.00 0.91 -0.03 0.00 0.71 0.00 0.00 52.55 54.13 1za3 s ASP 70 Cb 0.00 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1za3 s ASP 70 CO 0.00 0.12 0.12 -0.36 0.21 0.00 0.00 175.17 175.26 1za3 s PHE 71 N -0.04 -0.13 -0.10 4.23 0.40 -0.61 -2.67 117.98 119.07 1za3 s PHE 71 Ca 0.26 0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 56.90 1za3 s PHE 71 Cb -0.16 -0.01 0.04 0.00 0.51 0.00 0.00 43.02 43.40 1za3 s PHE 71 CO 0.12 -0.09 0.04 0.99 0.70 0.00 0.00 175.22 176.98 1za3 s THR 72 N 0.43 0.18 0.01 0.64 2.01 -1.26 0.05 115.64 117.70 1za3 s THR 72 Ca -0.03 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1za3 s THR 72 Cb -0.04 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1za3 s THR 72 CO -0.02 0.08 1.01 -0.22 -0.69 0.00 0.00 174.62 174.79 1za3 s LEU 73 N 2.04 4.37 -0.21 4.42 0.20 0.05 -2.88 118.68 126.67 1za3 s LEU 73 Ca 0.04 1.72 -0.01 0.00 0.69 0.00 0.00 54.13 56.56 1za3 s LEU 73 Cb -0.13 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.11 1za3 s LEU 73 CO -0.06 -0.29 -0.02 -0.89 -0.29 0.00 0.00 176.35 174.80 1za3 s THR 74 N 1.01 1.08 -0.25 3.68 2.01 0.40 -1.17 115.64 122.41 1za3 s THR 74 Ca 0.53 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1za3 s THR 74 Cb -0.22 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1za3 s THR 74 CO 0.28 -0.10 0.62 -0.63 -0.69 0.00 0.00 174.62 174.10 1za3 s ILE 75 N 1.61 4.99 -0.04 1.82 1.01 -0.44 -1.19 121.20 128.96 1za3 s ILE 75 Ca -0.03 1.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.58 1za3 s ILE 75 Cb -0.18 -3.93 -0.32 0.00 0.01 0.00 0.00 42.46 38.05 1za3 s ILE 75 CO -0.07 0.04 0.79 0.77 0.00 0.00 0.00 174.94 176.47 1za3 h SER 76 N 7.86 0.61 -3.17 3.58 4.64 -1.52 0.32 113.55 125.87 1za3 h SER 76 Ca -0.27 -0.92 -0.59 0.00 -0.47 0.00 0.00 61.79 59.54 1za3 h SER 76 Cb 1.13 -0.20 -0.40 0.00 -0.31 0.00 0.00 62.40 62.62 1za3 h SER 76 CO 0.77 1.65 -0.76 -0.55 -0.87 0.00 0.00 176.83 177.06 1za3 s SER 77 N -7.26 3.77 0.23 4.97 0.15 -1.26 -3.78 113.70 110.51 1za3 s SER 77 Ca -0.14 -1.97 -0.32 0.00 0.70 0.00 0.00 55.95 54.22 1za3 s SER 77 Cb 0.04 -0.83 -0.14 0.00 -1.71 0.00 0.00 66.02 63.38 1za3 s SER 77 CO 0.86 -0.36 1.42 -0.11 1.20 0.00 0.00 173.24 176.25 1za3 n LEU 78 N 4.40 3.07 -4.76 3.45 7.94 -0.83 -4.68 117.00 125.58 1za3 n LEU 78 Ca 0.03 1.13 -0.22 0.00 -1.11 0.00 0.00 56.01 55.84 1za3 n LEU 78 Cb 0.39 -1.42 -0.05 0.00 0.53 0.00 0.00 43.42 42.87 1za3 n LEU 78 CO 0.15 -0.48 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.64 1za3 s GLN 79 N -0.24 2.62 0.55 1.96 -1.52 -1.26 -1.75 119.66 120.01 1za3 s GLN 79 Ca 0.70 -1.28 0.23 0.00 -1.95 0.00 0.00 55.36 53.06 1za3 s GLN 79 Cb -0.66 -2.37 1.46 0.00 -0.22 0.00 0.00 33.01 31.22 1za3 s GLN 79 CO 0.48 0.30 2.10 -1.35 -0.25 0.00 0.00 175.29 176.57 1za3 h PRO 80 N 1.58 0.00 -0.19 2.91 0.11 -1.99 -0.77 132.00 133.66 1za3 h PRO 80 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1za3 h PRO 80 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1za3 h PRO 80 CO 0.61 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1za3 n GLU 81 N -4.24 1.64 0.00 1.05 0.28 -1.26 -4.18 120.64 113.94 1za3 n GLU 81 Ca 0.02 -0.97 0.08 0.00 -0.16 0.00 0.00 57.16 56.13 1za3 n GLU 81 Cb 0.32 -1.34 0.06 0.00 1.43 0.00 0.00 31.44 31.91 1za3 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1za3 n ASP 82 N 0.22 2.23 -4.59 -1.84 8.00 -0.29 -4.89 116.55 115.39 1za3 n ASP 82 Ca 0.14 -1.61 -0.43 0.00 0.71 0.00 0.00 54.79 53.60 1za3 n ASP 82 Cb 0.28 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 1za3 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1za3 s PHE 83 N -1.31 2.64 0.30 1.24 0.40 -1.26 -4.88 117.98 115.12 1za3 s PHE 83 Ca 0.18 0.57 -0.20 0.00 -0.60 0.00 0.00 56.93 56.88 1za3 s PHE 83 Cb 0.13 -4.46 0.04 0.00 0.51 0.00 0.00 43.02 39.24 1za3 s PHE 83 CO 0.20 -1.53 0.77 0.00 0.70 0.00 0.00 175.22 175.36 1za3 s ALA 84 N 4.90 -1.10 0.26 5.36 0.00 -1.11 -4.98 121.76 125.08 1za3 s ALA 84 Ca 0.48 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 1za3 s ALA 84 Cb -0.08 0.78 -0.08 0.00 0.00 0.00 0.00 23.12 23.73 1za3 s ALA 84 CO 0.29 -1.02 0.71 0.99 0.00 0.00 0.00 175.76 176.73 1za3 s THR 85 N -3.31 4.64 -0.05 0.00 2.01 -0.62 -0.25 115.64 118.06 1za3 s THR 85 Ca 0.13 1.10 0.03 0.00 0.31 0.00 0.00 61.69 63.25 1za3 s THR 85 Cb -0.05 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1za3 s THR 85 CO 0.08 0.04 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.63 1za3 s TYR 86 N -1.71 1.27 -0.13 4.92 2.02 -0.24 -0.97 117.35 122.51 1za3 s TYR 86 Ca 0.47 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 1za3 s TYR 86 Cb -0.14 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 1za3 s TYR 86 CO 0.19 -0.19 -0.17 0.71 -1.57 0.00 0.00 175.55 174.52 1za3 s TYR 87 N 0.43 2.73 0.49 2.71 1.51 -0.32 -1.15 117.35 123.75 1za3 s TYR 87 Ca -0.09 -0.88 -0.14 0.00 -1.01 0.00 0.00 57.07 54.95 1za3 s TYR 87 Cb -0.13 -1.82 -0.07 0.00 -0.11 0.00 0.00 41.96 39.84 1za3 s TYR 87 CO 0.02 -0.35 0.92 0.00 -1.11 0.00 0.00 175.55 175.03 1za3 s GLN 89 N -4.07 0.16 -0.49 0.00 0.74 0.07 -1.33 119.66 114.74 1za3 s GLN 89 Ca 0.56 0.47 -0.27 0.00 0.05 0.00 0.00 55.36 56.17 1za3 s GLN 89 Cb -0.10 -0.15 -0.05 0.00 1.10 0.00 0.00 33.01 33.81 1za3 s GLN 89 CO 0.33 -0.17 2.20 0.45 -0.55 0.00 0.00 175.29 177.55 1za3 s SER 90 N 1.24 4.86 0.00 6.67 0.15 -0.34 -1.46 113.70 124.82 1za3 s SER 90 Ca -0.09 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1za3 s SER 90 Cb -0.11 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1za3 s SER 90 CO -0.07 -2.57 0.00 -1.54 1.20 0.00 0.00 173.24 170.25 1za3 n SER 91 N 14.25 0.00 0.00 5.45 3.41 -0.83 -2.05 113.62 133.84 1za3 n SER 91 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1za3 n SER 91 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1za3 n SER 91 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1za3 n SER 92 N 0.00 0.00 0.00 4.04 7.64 -1.26 -4.06 113.62 119.98 1za3 n SER 92 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1za3 n SER 92 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1za3 n SER 92 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1za3 n SER 93 N -0.70 0.00 -4.59 6.43 7.64 -1.26 -4.97 113.62 116.16 1za3 n SER 93 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1za3 n SER 93 Cb 0.15 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1za3 n SER 93 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1za3 s PRO 94 N 0.19 3.90 -1.41 1.43 0.04 -1.26 -5.04 135.00 132.85 1za3 s PRO 94 Ca 0.00 -0.38 -0.14 0.00 0.04 0.00 0.00 61.00 60.52 1za3 s PRO 94 Cb 0.00 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.43 1za3 s PRO 94 CO 0.00 0.23 2.09 0.66 0.04 0.00 0.00 177.00 180.02 1za3 n TYR 95 N 3.66 3.62 -2.88 0.56 4.02 -1.26 -4.83 117.16 120.06 1za3 n TYR 95 Ca -0.17 -2.94 -0.42 0.00 -0.01 0.00 0.00 57.90 54.37 1za3 n TYR 95 Cb 0.52 -2.47 -0.04 0.00 -0.02 0.00 0.00 39.34 37.34 1za3 n TYR 95 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1za3 s THR 96 N 2.85 4.86 0.37 -0.72 2.01 -0.87 -4.86 115.64 119.29 1za3 s THR 96 Ca 0.47 1.65 -0.10 0.00 0.31 0.00 0.00 61.69 64.01 1za3 s THR 96 Cb 0.12 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1za3 s THR 96 CO -0.05 0.00 0.73 -0.36 -0.69 0.00 0.00 174.62 174.25 1za3 s PHE 97 N 2.30 3.46 0.64 4.92 0.08 -1.26 -1.20 117.98 126.92 1za3 s PHE 97 Ca 0.38 1.00 -0.07 0.00 0.12 0.00 0.00 56.93 58.36 1za3 s PHE 97 Cb -0.16 -2.40 0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1za3 s PHE 97 CO 0.11 -0.04 0.96 0.20 -0.10 0.00 0.00 175.22 176.36 1za3 s GLY 98 N -3.05 1.63 0.02 4.36 0.00 -0.44 -4.54 107.32 105.30 1za3 s GLY 98 Ca 0.50 -0.70 0.16 0.00 0.00 0.00 0.00 44.72 44.68 1za3 s GLY 98 CO 0.29 -0.37 1.50 0.61 0.00 0.00 0.00 173.10 175.14 1za3 n GLN 99 N -2.75 0.02 0.00 2.90 0.00 -1.26 -4.79 117.38 111.50 1za3 n GLN 99 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 57.00 57.31 1za3 n GLN 99 Cb 0.58 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.29 1za3 n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1za3 n GLY 100 N 0.06 1.39 2.73 2.61 0.00 -1.26 -5.03 105.19 105.68 1za3 n GLY 100 Ca 0.04 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 1za3 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za3 s THR 101 N -2.33 0.54 -0.44 2.61 2.01 -0.30 -4.58 115.64 113.15 1za3 s THR 101 Ca 0.00 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.17 1za3 s THR 101 Cb 0.00 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1za3 s THR 101 CO 0.00 -0.25 0.70 -0.75 -0.69 0.00 0.00 174.62 173.63 1za3 s LYS 102 N 1.84 3.34 -0.31 4.92 2.20 -0.95 -1.08 119.74 129.70 1za3 s LYS 102 Ca -0.00 -0.26 -0.26 0.00 -0.36 0.00 0.00 55.97 55.09 1za3 s LYS 102 Cb -0.17 -3.94 0.01 0.00 -1.51 0.00 0.00 37.83 32.22 1za3 s LYS 102 CO -0.09 -1.04 0.93 0.08 -0.36 0.00 0.00 175.35 174.86 1za3 s VAL 103 N 3.00 4.66 0.25 4.02 1.01 0.66 -2.05 120.40 131.95 1za3 s VAL 103 Ca 0.25 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1za3 s VAL 103 Cb -0.13 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1za3 s VAL 103 CO 0.20 -0.35 0.17 -1.84 0.00 0.00 0.00 175.10 173.28 1za3 n GLU 104 N 6.50 1.15 -3.92 2.72 0.28 -0.42 -2.76 120.64 124.19 1za3 n GLU 104 Ca 0.08 -1.59 -0.27 0.00 -0.16 0.00 0.00 57.16 55.22 1za3 n GLU 104 Cb 0.48 0.20 -0.17 0.00 1.43 0.00 0.00 31.44 33.37 1za3 n GLU 104 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1za3 s ILE 105 N -1.30 1.12 0.59 3.84 2.07 -1.26 -2.69 121.20 123.58 1za3 s ILE 105 Ca 0.13 -0.37 -0.18 0.00 -1.41 0.00 0.00 60.65 58.82 1za3 s ILE 105 Cb -0.01 -1.13 -0.03 0.00 0.13 0.00 0.00 42.46 41.41 1za3 s ILE 105 CO 0.08 0.37 1.16 -0.75 -1.91 0.00 0.00 174.94 173.89 1za3 s LYS 106 N 1.67 3.05 0.00 3.50 2.20 -0.82 -4.81 119.74 124.52 1za3 s LYS 106 Ca 0.05 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1za3 s LYS 106 Cb -0.13 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1za3 s LYS 106 CO -0.09 -1.10 0.00 2.89 -0.36 0.00 0.00 175.35 176.69 1za3 n ARG 107 N -1.69 0.00 -1.78 4.03 1.85 -1.26 -4.75 116.66 113.05 1za3 n ARG 107 Ca 0.12 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.67 1za3 n ARG 107 Cb 0.51 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.98 1za3 n ARG 107 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1za3 s THR 108 N -2.49 3.32 0.51 8.89 -4.23 -1.26 -5.05 115.64 115.34 1za3 s THR 108 Ca 0.00 0.43 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 1za3 s THR 108 Cb 0.00 -3.35 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 1za3 s THR 108 CO 0.00 -0.56 1.03 -0.69 -0.54 0.00 0.00 174.62 173.86 1za3 s VAL 109 N -3.30 3.87 -0.30 2.29 1.01 -1.26 -4.73 120.40 117.98 1za3 s VAL 109 Ca 0.59 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 1za3 s VAL 109 Cb -0.12 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 32.92 1za3 s VAL 109 CO 0.52 -0.34 0.66 0.00 0.00 0.00 0.00 175.10 175.95 1za3 s ALA 110 N -2.15 -2.01 0.55 5.51 0.00 -0.91 -4.93 121.76 117.82 1za3 s ALA 110 Ca 0.66 2.37 -0.20 0.00 0.00 0.00 0.00 51.96 54.79 1za3 s ALA 110 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1za3 s ALA 110 CO 0.24 -0.80 1.18 0.00 0.00 0.00 0.00 175.76 176.38 1za3 s ALA 111 N 2.60 2.67 0.18 0.00 0.00 -1.26 -2.19 121.76 123.76 1za3 s ALA 111 Ca -0.07 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1za3 s ALA 111 Cb -0.10 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1za3 s ALA 111 CO -0.19 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 174.46 1za3 s PRO 112 N -3.21 4.61 -0.36 0.00 0.04 -1.26 -4.63 135.00 130.19 1za3 s PRO 112 Ca 0.74 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 63.22 1za3 s PRO 112 Cb -0.28 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1za3 s PRO 112 CO 0.31 0.09 0.89 -1.12 0.04 0.00 0.00 177.00 177.22 1za3 s SER 113 N -0.14 6.67 -0.08 6.66 0.01 -0.82 -4.76 113.70 121.24 1za3 s SER 113 Ca 0.49 0.57 -0.11 0.00 1.31 0.00 0.00 55.95 58.21 1za3 s SER 113 Cb -0.29 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 1za3 s SER 113 CO 0.35 -0.81 0.28 -0.69 0.41 0.00 0.00 173.24 172.78 1za3 s VAL 114 N 3.35 5.27 0.00 3.43 1.01 -1.26 -1.93 120.40 130.27 1za3 s VAL 114 Ca 0.37 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1za3 s VAL 114 Cb -0.12 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1za3 s VAL 114 CO 0.17 0.56 -0.03 -0.36 0.00 0.00 0.00 175.10 175.44 1za3 s PHE 115 N -0.79 0.30 0.14 5.22 0.40 -0.11 -4.97 117.98 118.18 1za3 s PHE 115 Ca 0.19 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.49 1za3 s PHE 115 Cb -0.14 -0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.15 1za3 s PHE 115 CO 0.08 -0.02 -0.13 -1.50 0.70 0.00 0.00 175.22 174.35 1za3 s ILE 116 N -0.26 3.08 -0.15 0.64 2.07 -1.26 -0.33 121.20 124.99 1za3 s ILE 116 Ca -0.01 -1.54 -0.02 0.00 -1.41 0.00 0.00 60.65 57.67 1za3 s ILE 116 Cb -0.02 -2.47 0.05 0.00 0.13 0.00 0.00 42.46 40.14 1za3 s ILE 116 CO -0.00 0.00 0.00 -0.36 -1.91 0.00 0.00 174.94 172.67 1za3 s PHE 117 N -1.42 1.12 0.49 3.50 0.08 -0.24 -5.01 117.98 116.50 1za3 s PHE 117 Ca 0.22 -0.73 -0.22 0.00 0.12 0.00 0.00 56.93 56.32 1za3 s PHE 117 Cb -0.10 -1.04 -0.07 0.00 -0.57 0.00 0.00 43.02 41.24 1za3 s PHE 117 CO 0.13 -0.53 1.14 -2.14 -0.10 0.00 0.00 175.22 173.72 1za3 s PRO 118 N 1.83 3.63 0.71 0.24 0.02 -1.26 -2.51 135.00 137.66 1za3 s PRO 118 Ca 0.01 1.69 -0.15 0.00 0.02 0.00 0.00 61.00 62.57 1za3 s PRO 118 Cb -0.15 -2.25 0.03 0.00 0.02 0.00 0.00 34.50 32.15 1za3 s PRO 118 CO -0.07 -0.64 1.17 -1.25 -0.33 0.00 0.00 177.00 175.88 1za3 s PRO 119 N -2.93 2.34 0.95 5.54 0.04 -1.25 -4.93 135.00 134.76 1za3 s PRO 119 Ca 0.67 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1za3 s PRO 119 Cb -0.26 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.57 1za3 s PRO 119 CO 0.31 -1.65 1.09 -1.54 0.04 0.00 0.00 177.00 175.25 1za3 s SER 120 N -2.26 2.99 0.10 6.66 1.04 -1.26 -4.97 113.70 115.99 1za3 s SER 120 Ca 0.71 1.44 0.04 0.00 0.48 0.00 0.00 55.95 58.62 1za3 s SER 120 Cb -0.26 -2.11 -0.23 0.00 0.10 0.00 0.00 66.02 63.52 1za3 s SER 120 CO 0.44 -2.94 1.22 0.44 0.98 0.00 0.00 173.24 173.38 1za3 h ASP 121 N -1.76 0.11 -0.13 7.02 5.19 -2.00 -3.16 116.42 121.71 1za3 h ASP 121 Ca -0.52 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 55.73 1za3 h ASP 121 Cb 1.30 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1za3 h ASP 121 CO 0.54 1.10 -0.03 -0.33 -3.12 0.00 0.00 179.24 177.40 1za3 h GLU 122 N 0.02 0.37 -0.02 3.56 5.08 -1.99 -2.61 114.58 119.00 1za3 h GLU 122 Ca -0.05 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 57.98 1za3 h GLU 122 Cb 1.83 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 31.04 1za3 h GLU 122 CO 0.15 0.43 -1.01 0.37 -1.00 0.00 0.00 179.01 177.95 1za3 h GLN 123 N 0.36 0.68 -0.63 2.33 4.15 -1.86 -3.29 115.11 116.85 1za3 h GLN 123 Ca 0.08 -0.71 0.05 0.00 0.77 0.00 0.00 58.65 58.84 1za3 h GLN 123 Cb 0.29 0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 1za3 h GLN 123 CO 0.01 1.29 0.42 -0.07 -1.93 0.00 0.00 178.83 178.55 1za3 h LEU 124 N 0.39 0.59 -1.01 -2.39 4.07 -1.43 -1.75 115.31 113.78 1za3 h LEU 124 Ca -0.12 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 1za3 h LEU 124 Cb 1.65 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.26 1za3 h LEU 124 CO 0.20 0.39 -0.17 0.11 -1.08 0.00 0.00 178.44 177.89 1za3 h LYS 125 N 0.68 0.00 0.00 1.13 1.57 -1.58 -2.70 116.57 115.67 1za3 h LYS 125 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1za3 h LYS 125 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1za3 h LYS 125 CO -0.08 0.17 0.00 0.77 -0.57 0.00 0.00 179.45 179.75 1za3 h SER 126 N 0.00 0.00 0.00 0.86 0.02 -1.40 -3.47 113.55 109.56 1za3 h SER 126 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1za3 h SER 126 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1za3 h SER 126 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1za3 n GLY 127 N 0.61 1.06 2.97 -3.77 0.00 -1.02 -5.07 105.19 99.98 1za3 n GLY 127 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1za3 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za3 s THR 128 N -2.00 0.20 -0.08 2.61 2.01 -1.22 -2.57 115.64 114.59 1za3 s THR 128 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1za3 s THR 128 Cb 0.00 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.24 1za3 s THR 128 CO 0.00 -0.32 -0.09 0.00 -0.69 0.00 0.00 174.62 173.52 1za3 s ALA 129 N -1.02 1.18 -0.16 7.40 0.00 -0.03 -3.39 121.76 125.73 1za3 s ALA 129 Ca -0.10 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1za3 s ALA 129 Cb -0.07 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1za3 s ALA 129 CO -0.00 -0.13 -0.21 -1.12 0.00 0.00 0.00 175.76 174.30 1za3 s SER 130 N 1.15 3.11 -0.19 0.00 0.01 -1.26 -1.40 113.70 115.13 1za3 s SER 130 Ca -0.06 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.52 1za3 s SER 130 Cb -0.14 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 1za3 s SER 130 CO -0.02 0.03 0.00 -0.69 0.41 0.00 0.00 173.24 172.98 1za3 s VAL 131 N 1.11 4.09 -0.21 3.43 1.01 0.46 -3.89 120.40 126.41 1za3 s VAL 131 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1za3 s VAL 131 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1za3 s VAL 131 CO -0.09 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1za3 s VAL 132 N 0.75 2.82 0.01 2.92 1.01 -1.04 -0.64 120.40 126.23 1za3 s VAL 132 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1za3 s VAL 132 Cb -0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1za3 s VAL 132 CO 0.02 0.45 0.37 0.00 0.00 0.00 0.00 175.10 175.94 1za3 s LEU 134 N -1.33 2.00 -0.18 0.00 2.96 0.56 -2.36 118.68 120.32 1za3 s LEU 134 Ca 0.25 -0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 53.12 1za3 s LEU 134 Cb -0.15 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1za3 s LEU 134 CO 0.14 -0.21 0.38 -0.76 -1.32 0.00 0.00 176.35 174.58 1za3 s LEU 135 N 1.54 4.20 -0.13 -0.68 1.02 -0.23 -0.93 118.68 123.46 1za3 s LEU 135 Ca -0.02 0.56 0.02 0.00 0.02 0.00 0.00 54.13 54.71 1za3 s LEU 135 Cb -0.17 -2.51 0.01 0.00 0.02 0.00 0.00 46.19 43.55 1za3 s LEU 135 CO -0.07 -0.02 -0.20 0.21 0.02 0.00 0.00 176.35 176.29 1za3 s ASN 136 N 0.84 2.90 -0.74 2.29 2.47 -0.81 -1.46 114.94 120.41 1za3 s ASN 136 Ca 0.19 -0.55 -0.03 0.00 0.42 0.00 0.00 52.86 52.90 1za3 s ASN 136 Cb -0.14 -1.33 0.00 0.00 -1.45 0.00 0.00 41.25 38.33 1za3 s ASN 136 CO 0.07 0.07 0.65 0.59 -3.72 0.00 0.00 177.10 174.76 1za3 n ASN 137 N 4.05 -6.49 -4.10 -4.21 3.02 -0.73 -1.95 115.26 104.84 1za3 n ASN 137 Ca -0.20 -0.41 -0.21 0.00 -0.03 0.00 0.00 54.58 53.74 1za3 n ASN 137 Cb 0.52 -3.65 -0.14 0.00 -0.61 0.00 0.00 39.78 35.89 1za3 n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1za3 s PHE 138 N -2.90 1.16 -0.01 3.10 -0.71 -0.19 -4.51 117.98 113.93 1za3 s PHE 138 Ca 0.03 -0.27 0.03 0.00 -1.04 0.00 0.00 56.93 55.69 1za3 s PHE 138 Cb -0.01 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 41.07 1za3 s PHE 138 CO 0.82 -0.00 -0.09 -0.47 -1.34 0.00 0.00 175.22 174.14 1za3 s TYR 139 N -0.50 0.77 0.07 3.49 6.14 -0.93 -1.16 117.35 125.24 1za3 s TYR 139 Ca 0.04 -0.15 -0.01 0.00 0.64 0.00 0.00 57.07 57.58 1za3 s TYR 139 Cb -0.06 -0.50 0.02 0.00 0.42 0.00 0.00 41.96 41.83 1za3 s TYR 139 CO 0.00 -0.02 0.09 -0.35 0.64 0.00 0.00 175.55 175.91 1za3 n PRO 140 N 2.90 -0.52 0.13 4.97 -0.04 -1.26 -2.15 135.00 139.04 1za3 n PRO 140 Ca -0.14 -0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.18 1za3 n PRO 140 Cb 0.57 -0.10 0.25 0.00 -0.04 0.00 0.00 33.50 34.17 1za3 n PRO 140 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1za3 h ARG 141 N 0.00 0.12 -6.32 0.54 2.43 -1.99 -3.45 114.38 105.71 1za3 h ARG 141 Ca -0.03 -0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.54 1za3 h ARG 141 Cb 0.08 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1za3 h ARG 141 CO 0.02 0.55 1.19 -1.21 -1.51 0.00 0.00 179.97 179.01 1za3 s GLU 142 N -4.03 4.14 -0.15 0.20 8.01 -1.26 -4.96 118.70 120.65 1za3 s GLU 142 Ca -0.03 2.46 -0.21 0.00 0.01 0.00 0.00 54.97 57.20 1za3 s GLU 142 Cb 0.13 -4.11 0.05 0.00 -4.31 0.00 0.00 34.13 25.90 1za3 s GLU 142 CO 0.76 -0.93 0.54 0.00 0.01 0.00 0.00 175.26 175.64 1za3 s ALA 143 N 4.37 -1.37 -0.24 5.21 0.00 -1.26 -4.67 121.76 123.81 1za3 s ALA 143 Ca 0.83 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 54.12 1za3 s ALA 143 Cb -0.39 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1za3 s ALA 143 CO 0.37 -0.28 -0.08 0.21 0.00 0.00 0.00 175.76 175.98 1za3 s LYS 144 N -0.24 2.82 -0.04 0.00 2.47 -0.75 -4.95 119.74 119.05 1za3 s LYS 144 Ca -0.04 -0.98 -0.01 0.00 -1.56 0.00 0.00 55.97 53.37 1za3 s LYS 144 Cb -0.03 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.38 1za3 s LYS 144 CO 0.03 -0.38 0.06 0.08 0.16 0.00 0.00 175.35 175.30 1za3 s VAL 145 N 1.30 4.67 -0.13 4.02 1.01 -1.26 -0.74 120.40 129.28 1za3 s VAL 145 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1za3 s VAL 145 Cb -0.16 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1za3 s VAL 145 CO -0.06 0.45 0.29 -1.10 0.00 0.00 0.00 175.10 174.68 1za3 s GLN 146 N -1.43 0.22 -0.28 2.72 -0.21 -1.16 -4.93 119.66 114.59 1za3 s GLN 146 Ca 0.19 0.68 -0.15 0.00 0.02 0.00 0.00 55.36 56.11 1za3 s GLN 146 Cb -0.12 -0.04 -0.03 0.00 1.00 0.00 0.00 33.01 33.82 1za3 s GLN 146 CO 0.10 -0.21 0.37 -1.58 -2.12 0.00 0.00 175.29 171.84 1za3 s TRP 147 N 1.81 3.24 -0.43 0.91 0.52 -1.26 -1.01 118.94 122.72 1za3 s TRP 147 Ca -0.05 0.34 -0.00 0.00 0.02 0.00 0.00 56.10 56.40 1za3 s TRP 147 Cb -0.11 -2.60 0.12 0.00 -1.15 0.00 0.00 33.47 29.73 1za3 s TRP 147 CO -0.09 -0.27 0.20 0.15 0.02 0.00 0.00 176.95 176.96 1za3 s LYS 148 N 2.07 1.93 -0.30 4.98 1.02 -1.10 -0.94 119.74 127.41 1za3 s LYS 148 Ca 0.15 -2.00 -0.21 0.00 0.02 0.00 0.00 55.97 53.92 1za3 s LYS 148 Cb -0.16 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1za3 s LYS 148 CO 0.10 -1.05 0.66 0.08 -0.92 0.00 0.00 175.35 174.22 1za3 s VAL 149 N 0.79 4.92 -1.18 3.17 1.01 -0.97 -3.52 120.40 124.62 1za3 s VAL 149 Ca 0.11 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 62.90 1za3 s VAL 149 Cb -0.22 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1za3 s VAL 149 CO -0.05 -0.13 0.76 0.47 0.00 0.00 0.00 175.10 176.14 1za3 n ASP 150 N 5.91 -4.38 -1.06 3.32 9.92 -0.75 -1.82 116.55 127.70 1za3 n ASP 150 Ca -0.00 -0.96 -0.12 0.00 -0.53 0.00 0.00 54.79 53.18 1za3 n ASP 150 Cb 0.49 -3.63 -0.05 0.00 -0.64 0.00 0.00 41.12 37.29 1za3 n ASP 150 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1za3 n ASN 151 N -2.82 -4.59 -4.08 -2.24 5.03 -1.26 -4.93 115.26 100.37 1za3 n ASN 151 Ca -0.14 0.30 -0.30 0.00 0.87 0.00 0.00 54.58 55.31 1za3 n ASN 151 Cb 0.62 -3.73 -0.17 0.00 -1.02 0.00 0.00 39.78 35.48 1za3 n ASN 151 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1za3 s ALA 152 N -1.97 1.86 0.36 5.41 0.00 -0.75 -5.07 121.76 121.60 1za3 s ALA 152 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 1za3 s ALA 152 Cb 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 23.12 22.09 1za3 s ALA 152 CO 0.00 -0.12 1.47 1.28 0.00 0.00 0.00 175.76 178.38 1za3 n LEU 153 N 4.28 4.50 -4.45 0.00 4.77 -1.26 -2.30 117.00 122.53 1za3 n LEU 153 Ca -0.19 1.21 -0.33 0.00 -0.03 0.00 0.00 56.01 56.67 1za3 n LEU 153 Cb 0.51 -1.59 -0.13 0.00 -2.33 0.00 0.00 43.42 39.88 1za3 n LEU 153 CO 0.24 0.04 -0.42 -1.10 -1.33 0.00 0.00 177.39 174.82 1za3 s GLN 154 N -1.84 3.19 0.00 3.23 -1.52 -0.12 -4.92 119.66 117.68 1za3 s GLN 154 Ca 0.55 -0.63 0.00 0.00 -1.95 0.00 0.00 55.36 53.33 1za3 s GLN 154 Cb -0.50 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.65 1za3 s GLN 154 CO 0.61 0.37 0.00 0.45 -0.25 0.00 0.00 175.29 176.47 1za3 n SER 155 N 3.10 0.00 -2.21 5.90 2.88 -1.26 -4.52 113.62 117.50 1za3 n SER 155 Ca -0.18 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.07 1za3 n SER 155 Cb 0.53 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.08 1za3 n SER 155 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1za3 n GLY 156 N 3.19 5.24 0.88 0.46 0.00 -1.26 -4.29 105.19 109.42 1za3 n GLY 156 Ca 0.00 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.24 1za3 n GLY 156 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1za3 n ASN 157 N -0.75 1.27 -3.90 1.61 2.04 -1.26 -5.06 115.26 109.21 1za3 n ASN 157 Ca 0.56 -2.79 -0.11 0.00 -0.44 0.00 0.00 54.58 51.81 1za3 n ASN 157 Cb 0.86 -0.38 -0.11 0.00 -2.53 0.00 0.00 39.78 37.61 1za3 n ASN 157 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1za3 s SER 158 N -2.39 0.07 -0.03 0.53 1.04 -1.26 -1.94 113.70 109.72 1za3 s SER 158 Ca 0.30 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1za3 s SER 158 Cb 0.32 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1za3 s SER 158 CO -0.09 -0.24 -0.09 -1.10 0.98 0.00 0.00 173.24 172.70 1za3 s GLN 159 N -0.99 1.01 0.01 4.02 -0.21 -1.13 -4.93 119.66 117.43 1za3 s GLN 159 Ca -0.11 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 1za3 s GLN 159 Cb -0.06 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 1za3 s GLN 159 CO 0.00 0.10 0.11 -1.21 -2.12 0.00 0.00 175.29 172.18 1za3 s GLU 160 N 0.24 3.16 -0.03 2.91 2.02 -1.26 -1.75 118.70 123.98 1za3 s GLU 160 Ca -0.04 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.53 1za3 s GLU 160 Cb -0.09 -2.91 -0.00 0.00 0.10 0.00 0.00 34.13 31.22 1za3 s GLU 160 CO 0.01 0.64 -0.15 0.45 0.02 0.00 0.00 175.26 176.23 1za3 s SER 161 N -1.88 1.88 -0.05 -0.19 0.15 -0.66 -4.98 113.70 107.97 1za3 s SER 161 Ca 0.25 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1za3 s SER 161 Cb -0.12 -0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1za3 s SER 161 CO 0.16 0.14 -0.19 -0.69 1.20 0.00 0.00 173.24 173.87 1za3 s VAL 162 N -0.03 1.54 0.72 4.45 1.01 -1.26 -0.76 120.40 126.07 1za3 s VAL 162 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1za3 s VAL 162 Cb -0.09 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1za3 s VAL 162 CO 0.01 0.44 1.09 0.42 0.00 0.00 0.00 175.10 177.06 1za3 s THR 163 N 0.01 3.39 0.94 3.92 -4.23 -0.80 -5.02 115.64 113.86 1za3 s THR 163 Ca -0.04 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.89 1za3 s THR 163 Cb -0.12 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.82 1za3 s THR 163 CO 0.03 -0.51 1.05 -1.84 -0.54 0.00 0.00 174.62 172.80 1za3 n GLU 164 N -3.02 -0.59 -1.79 3.99 0.28 -1.26 -4.70 120.64 113.56 1za3 n GLU 164 Ca 0.09 -0.11 -0.37 0.00 -0.16 0.00 0.00 57.16 56.62 1za3 n GLU 164 Cb 0.53 -2.30 0.06 0.00 1.43 0.00 0.00 31.44 31.16 1za3 n GLU 164 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1za3 s GLN 165 N -4.50 2.65 0.32 3.44 0.74 -1.26 -4.82 119.66 116.23 1za3 s GLN 165 Ca 0.66 2.04 -0.28 0.00 0.05 0.00 0.00 55.36 57.83 1za3 s GLN 165 Cb -0.23 -1.88 -0.10 0.00 1.10 0.00 0.00 33.01 31.90 1za3 s GLN 165 CO 0.60 -1.52 1.18 0.34 -0.55 0.00 0.00 175.29 175.34 1za3 s ASP 166 N -1.39 6.95 0.00 6.67 2.15 -1.14 -4.93 116.67 124.98 1za3 s ASP 166 Ca 0.81 2.41 0.05 0.00 0.43 0.00 0.00 52.55 56.25 1za3 s ASP 166 Cb -0.37 -2.63 0.29 0.00 -0.30 0.00 0.00 42.92 39.92 1za3 s ASP 166 CO 0.39 -0.38 1.14 -1.54 -0.17 0.00 0.00 175.17 174.61 1za3 n SER 167 N 0.80 0.00 0.00 -0.34 3.41 -1.26 -2.89 113.62 113.34 1za3 n SER 167 Ca 0.01 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1za3 n SER 167 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1za3 n SER 167 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1za3 n LYS 168 N -0.58 0.00 -0.05 4.33 2.85 -1.26 -4.94 118.16 118.51 1za3 n LYS 168 Ca 0.04 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.35 1za3 n LYS 168 Cb 0.02 -0.21 0.07 0.00 -0.65 0.00 0.00 35.03 34.26 1za3 n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1za3 n ASP 169 N -2.07 2.18 -3.75 -5.58 5.75 -1.26 -5.02 116.55 106.80 1za3 n ASP 169 Ca 0.00 -1.62 -0.25 0.00 -0.01 0.00 0.00 54.79 52.92 1za3 n ASP 169 Cb 0.00 -0.07 0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1za3 n ASP 169 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1za3 n SER 170 N 0.52 -3.45 -4.33 -1.12 7.64 -1.14 -4.96 113.62 106.78 1za3 n SER 170 Ca 0.07 -0.75 -0.26 0.00 1.01 0.00 0.00 58.87 58.95 1za3 n SER 170 Cb 0.31 -4.22 -0.13 0.00 -1.01 0.00 0.00 64.21 59.16 1za3 n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1za3 s THR 171 N -3.45 1.95 0.41 0.44 -4.23 -1.26 -4.75 115.64 104.76 1za3 s THR 171 Ca 0.35 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1za3 s THR 171 Cb -0.17 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 1za3 s THR 171 CO 0.80 -0.01 0.64 -0.31 -0.54 0.00 0.00 174.62 175.20 1za3 s TYR 172 N -1.18 3.44 0.01 3.99 2.02 -0.30 -2.87 117.35 122.45 1za3 s TYR 172 Ca 0.10 0.43 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1za3 s TYR 172 Cb -0.10 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1za3 s TYR 172 CO 0.05 -0.12 -0.09 -1.12 -1.57 0.00 0.00 175.55 172.70 1za3 s SER 173 N -4.11 1.07 0.10 2.29 0.01 -1.26 -1.02 113.70 110.79 1za3 s SER 173 Ca 0.44 -0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.51 1za3 s SER 173 Cb -0.10 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1za3 s SER 173 CO 0.39 0.05 -0.19 -0.22 0.41 0.00 0.00 173.24 173.68 1za3 s LEU 174 N -0.56 2.32 -0.22 2.44 0.20 -0.54 -1.90 118.68 120.43 1za3 s LEU 174 Ca 0.01 -0.70 -0.02 0.00 0.69 0.00 0.00 54.13 54.11 1za3 s LEU 174 Cb -0.05 -0.77 0.07 0.00 -0.43 0.00 0.00 46.19 45.01 1za3 s LEU 174 CO 0.00 0.00 0.05 -0.94 -0.29 0.00 0.00 176.35 175.17 1za3 s SER 175 N -1.99 3.15 -0.04 3.68 1.04 0.06 -1.07 113.70 118.54 1za3 s SER 175 Ca 0.06 -0.99 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 1za3 s SER 175 Cb -0.09 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 1za3 s SER 175 CO 0.04 -0.33 0.46 -0.55 0.98 0.00 0.00 173.24 173.84 1za3 s SER 176 N 1.82 6.80 -0.33 7.02 0.15 -0.99 -1.65 113.70 126.52 1za3 s SER 176 Ca 0.01 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1za3 s SER 176 Cb -0.17 -2.28 0.10 0.00 -1.71 0.00 0.00 66.02 61.96 1za3 s SER 176 CO -0.12 0.18 0.11 -0.89 1.20 0.00 0.00 173.24 173.71 1za3 s THR 177 N -0.36 1.10 -0.28 6.45 2.01 -0.72 -0.70 115.64 123.14 1za3 s THR 177 Ca 0.26 -1.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.33 1za3 s THR 177 Cb -0.17 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1za3 s THR 177 CO 0.13 -0.70 0.99 -0.22 -0.69 0.00 0.00 174.62 174.14 1za3 s LEU 178 N 1.38 4.02 -0.32 4.42 2.96 0.19 -2.83 118.68 128.50 1za3 s LEU 178 Ca 0.11 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1za3 s LEU 178 Cb -0.18 -3.43 0.09 0.00 0.50 0.00 0.00 46.19 43.16 1za3 s LEU 178 CO -0.20 -0.74 0.02 0.28 -1.32 0.00 0.00 176.35 174.40 1za3 s THR 179 N 3.32 2.40 0.34 3.68 -1.32 -0.82 -0.40 115.64 122.84 1za3 s THR 179 Ca 0.42 -2.07 0.08 0.00 -1.21 0.00 0.00 61.69 58.91 1za3 s THR 179 Cb -0.14 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.16 1za3 s THR 179 CO 0.11 -0.43 0.12 -0.76 -2.21 0.00 0.00 174.62 171.45 1za3 s LEU 180 N 1.00 3.19 0.09 9.08 1.43 -0.49 -4.91 118.68 128.07 1za3 s LEU 180 Ca 0.05 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 1za3 s LEU 180 Cb -0.20 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 1za3 s LEU 180 CO -0.06 -0.30 0.63 -0.94 0.23 0.00 0.00 176.35 175.91 1za3 s SER 181 N -3.82 7.14 0.25 2.29 1.04 -1.26 -0.85 113.70 118.48 1za3 s SER 181 Ca 0.37 1.35 0.10 0.00 0.48 0.00 0.00 55.95 58.25 1za3 s SER 181 Cb -0.02 -2.40 0.80 0.00 0.10 0.00 0.00 66.02 64.50 1za3 s SER 181 CO 0.22 0.24 1.12 1.17 0.98 0.00 0.00 173.24 176.97 1za3 n LYS 182 N 1.80 -0.05 0.30 4.02 4.81 -1.06 -1.51 118.16 126.46 1za3 n LYS 182 Ca -0.09 1.02 -0.15 0.00 -0.87 0.00 0.00 58.31 58.22 1za3 n LYS 182 Cb 0.50 -1.74 -0.08 0.00 0.02 0.00 0.00 35.03 33.74 1za3 n LYS 182 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1za3 h ALA 183 N 1.42 -0.77 -0.00 3.14 0.00 -1.93 -2.46 119.26 118.66 1za3 h ALA 183 Ca 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1za3 h ALA 183 Cb 1.32 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1za3 h ALA 183 CO -0.60 -0.80 0.00 -0.44 0.00 0.00 0.00 179.25 177.41 1za3 h ASP 184 N -1.04 0.00 -0.23 0.00 5.19 -1.68 -1.39 116.42 117.28 1za3 h ASP 184 Ca -0.08 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1za3 h ASP 184 Cb 0.65 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1za3 h ASP 184 CO 0.13 0.00 0.08 0.22 -3.12 0.00 0.00 179.24 176.55 1za3 h TYR 185 N 0.00 0.36 0.00 4.55 3.20 -1.41 -2.99 116.97 120.67 1za3 h TYR 185 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1za3 h TYR 185 Cb 0.01 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1za3 h TYR 185 CO 0.00 0.41 0.00 -1.91 -1.64 0.00 0.00 178.16 175.02 1za3 n GLU 186 N -4.78 0.32 0.03 1.82 2.13 -0.57 -2.61 120.64 116.98 1za3 n GLU 186 Ca -0.03 0.07 0.13 0.00 0.66 0.00 0.00 57.16 57.99 1za3 n GLU 186 Cb 0.15 -1.50 0.39 0.00 0.27 0.00 0.00 31.44 30.75 1za3 n GLU 186 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1za3 n LYS 187 N -1.29 0.09 -4.21 5.31 5.02 -0.90 -4.91 118.16 117.26 1za3 n LYS 187 Ca 0.11 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 1za3 n LYS 187 Cb 0.18 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.49 1za3 n LYS 187 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1za3 s HIS 188 N -3.04 1.09 -0.11 2.13 3.76 -1.07 -5.10 115.29 112.95 1za3 s HIS 188 Ca 0.11 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 1za3 s HIS 188 Cb 0.17 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1za3 s HIS 188 CO 0.63 0.02 -0.16 1.17 -0.85 0.00 0.00 174.74 175.55 1za3 n LYS 189 N 1.60 0.34 -2.83 1.40 4.81 -1.26 -4.87 118.16 117.34 1za3 n LYS 189 Ca -0.20 0.36 -0.42 0.00 -0.87 0.00 0.00 58.31 57.18 1za3 n LYS 189 Cb 0.55 -1.35 -0.04 0.00 0.02 0.00 0.00 35.03 34.21 1za3 n LYS 189 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1za3 s VAL 190 N -2.02 4.72 -0.10 3.15 1.01 -1.26 -3.10 120.40 122.80 1za3 s VAL 190 Ca -0.13 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.33 1za3 s VAL 190 Cb 0.02 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1za3 s VAL 190 CO 0.20 -0.26 -0.12 -0.31 0.00 0.00 0.00 175.10 174.60 1za3 s TYR 191 N 3.12 2.80 0.05 5.22 1.51 -1.15 -1.80 117.35 127.10 1za3 s TYR 191 Ca 0.37 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.88 1za3 s TYR 191 Cb -0.14 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1za3 s TYR 191 CO 0.12 -0.00 0.37 0.00 -1.11 0.00 0.00 175.55 174.93 1za3 s ALA 192 N -0.15 -0.89 0.03 3.71 0.00 -1.23 -2.39 121.76 120.84 1za3 s ALA 192 Ca -0.00 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.20 1za3 s ALA 192 Cb -0.13 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1za3 s ALA 192 CO 0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 175.76 175.08 1za3 s GLU 194 N -1.06 1.99 0.39 0.00 2.12 -0.18 -2.94 118.70 119.01 1za3 s GLU 194 Ca 0.10 -2.52 -0.25 0.00 0.36 0.00 0.00 54.97 52.67 1za3 s GLU 194 Cb -0.10 -3.36 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 1za3 s GLU 194 CO 0.01 -1.10 1.05 0.08 -0.54 0.00 0.00 175.26 174.77 1za3 s VAL 195 N -0.11 3.71 -0.09 3.70 1.01 -0.95 -2.97 120.40 124.70 1za3 s VAL 195 Ca 0.16 1.35 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 1za3 s VAL 195 Cb -0.24 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1za3 s VAL 195 CO -0.01 0.04 0.02 -0.89 0.00 0.00 0.00 175.10 174.26 1za3 s THR 196 N -1.61 0.28 0.03 3.92 2.01 0.08 -3.06 115.64 117.30 1za3 s THR 196 Ca 0.56 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 1za3 s THR 196 Cb -0.23 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1za3 s THR 196 CO 0.29 0.15 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.05 1za3 s HIS 197 N 2.00 0.35 0.31 4.92 2.46 -1.26 -1.81 115.29 122.26 1za3 s HIS 197 Ca 0.04 -0.67 0.01 0.00 0.47 0.00 0.00 55.06 54.91 1za3 s HIS 197 Cb -0.13 -0.25 0.54 0.00 -0.13 0.00 0.00 32.58 32.61 1za3 s HIS 197 CO -0.05 -0.23 1.93 0.37 -2.47 0.00 0.00 174.74 174.28 1za3 h GLN 198 N 4.26 0.98 0.00 2.88 4.15 -1.93 -2.67 115.11 122.78 1za3 h GLN 198 Ca -0.33 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 58.92 1za3 h GLN 198 Cb 1.19 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 1za3 h GLN 198 CO 0.47 0.65 -0.53 0.78 -1.93 0.00 0.00 178.83 178.27 1za3 h GLY 199 N 1.01 0.00 -4.62 2.39 0.00 -1.88 -3.43 103.07 96.53 1za3 h GLY 199 Ca 0.37 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.15 1za3 h GLY 199 CO -0.13 0.00 0.21 1.08 0.00 0.00 0.00 176.54 177.70 1za3 s LEU 200 N -7.07 4.39 0.10 3.11 1.43 -1.01 -4.67 118.68 114.97 1za3 s LEU 200 Ca 0.00 1.45 -0.13 0.00 -1.03 0.00 0.00 54.13 54.43 1za3 s LEU 200 Cb 0.11 -3.30 -0.16 0.00 0.03 0.00 0.00 46.19 42.87 1za3 s LEU 200 CO 0.73 -0.10 1.30 0.77 0.23 0.00 0.00 176.35 179.28 1za3 h SER 201 N 6.26 0.95 -3.64 2.29 4.64 -1.85 -3.43 113.55 118.77 1za3 h SER 201 Ca -0.42 -0.63 -0.27 0.00 -0.47 0.00 0.00 61.79 59.99 1za3 h SER 201 Cb 1.21 -0.28 -0.31 0.00 -0.31 0.00 0.00 62.40 62.71 1za3 h SER 201 CO 0.73 1.44 -0.73 -0.94 -0.87 0.00 0.00 176.83 176.46 1za3 s SER 202 N -7.13 0.12 -0.04 4.97 1.04 -1.26 -5.12 113.70 106.28 1za3 s SER 202 Ca -0.10 0.00 -0.38 0.00 0.48 0.00 0.00 55.95 55.95 1za3 s SER 202 Cb 0.08 -0.06 -0.16 0.00 0.10 0.00 0.00 66.02 65.99 1za3 s SER 202 CO 0.91 -0.05 1.49 -2.65 0.98 0.00 0.00 173.24 173.92 1za3 n PRO 203 N 3.58 1.18 -2.50 4.02 -0.02 -1.26 -4.95 135.00 135.05 1za3 n PRO 203 Ca -0.19 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 1za3 n PRO 203 Cb 0.55 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1za3 n PRO 203 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1za3 s VAL 204 N 1.62 3.68 -0.03 -1.45 1.01 -1.17 -4.93 120.40 119.13 1za3 s VAL 204 Ca 0.89 1.12 0.01 0.00 0.00 0.00 0.00 61.98 64.00 1za3 s VAL 204 Cb -0.99 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1za3 s VAL 204 CO 0.53 -0.15 -0.02 -0.89 0.00 0.00 0.00 175.10 174.58 1za3 s THR 205 N -1.84 0.30 -0.17 3.92 2.01 -1.26 -2.23 115.64 116.36 1za3 s THR 205 Ca 0.65 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1za3 s THR 205 Cb -0.19 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1za3 s THR 205 CO 0.23 0.17 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.61 1za3 s LYS 206 N 0.91 3.06 -0.02 4.92 -0.14 -1.15 -5.01 119.74 122.30 1za3 s LYS 206 Ca -0.10 -0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 53.69 1za3 s LYS 206 Cb -0.13 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 1za3 s LYS 206 CO -0.01 -0.13 0.04 -1.54 -0.76 0.00 0.00 175.35 172.95 1za3 s SER 207 N 1.12 -0.02 0.38 2.83 1.04 -1.26 -2.96 113.70 114.83 1za3 s SER 207 Ca 0.01 0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.59 1za3 s SER 207 Cb -0.14 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1za3 s SER 207 CO -0.07 -0.05 0.31 0.72 0.98 0.00 0.00 173.24 175.13 1za3 s PHE 208 N 0.33 2.76 -0.34 5.02 -0.12 -1.01 -5.02 117.98 119.60 1za3 s PHE 208 Ca -0.03 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1za3 s PHE 208 Cb -0.04 -1.99 0.10 0.00 -0.63 0.00 0.00 43.02 40.46 1za3 s PHE 208 CO -0.01 0.04 0.06 -0.80 -0.05 0.00 0.00 175.22 174.47 1za3 s ASN 209 N -4.04 4.83 -0.38 1.98 0.02 -1.26 -2.93 114.94 113.15 1za3 s ASN 209 Ca 0.44 -2.06 -0.36 0.00 -1.02 0.00 0.00 52.86 49.86 1za3 s ASN 209 Cb -0.03 -1.66 -0.15 0.00 0.02 0.00 0.00 41.25 39.42 1za3 s ASN 209 CO 0.26 -0.39 1.23 -1.14 0.02 0.00 0.00 177.10 177.09 1za3 n ARG 210 N 4.33 0.00 -0.13 -0.60 0.63 -1.18 -2.97 116.66 116.74 1za3 n ARG 210 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1za3 n ARG 210 Cb 0.42 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1za3 n ARG 210 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1za3 n GLY 211 N 3.11 0.68 2.94 5.14 0.00 -1.26 -4.64 105.19 111.17 1za3 n GLY 211 Ca 0.24 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1za3 n GLY 211 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1za3 n GLU 212 N -0.05 -2.81 0.00 1.61 0.28 -1.22 -5.30 120.64 113.15 1za3 n GLU 212 Ca 0.00 0.42 0.14 0.00 -0.16 0.00 0.00 57.16 57.56 1za3 n GLU 212 Cb 0.03 -5.05 0.61 0.00 1.43 0.00 0.00 31.44 28.46 1za3 n GLU 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97