#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za4 s VAL 12 N 0.00 2.09 -0.33 -3.33 1.01 -1.26 0.03 120.40 118.60 1za4 s VAL 12 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1za4 s VAL 12 Cb 0.00 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.72 1za4 s VAL 12 CO 0.00 0.57 0.06 -0.36 0.00 0.00 0.00 175.10 175.37 1za4 s PHE 13 N -0.14 3.13 -0.49 5.22 0.40 0.12 -4.96 117.98 121.26 1za4 s PHE 13 Ca -0.04 -2.61 -0.22 0.00 -0.60 0.00 0.00 56.93 53.46 1za4 s PHE 13 Cb -0.14 -2.55 0.04 0.00 0.51 0.00 0.00 43.02 40.88 1za4 s PHE 13 CO 0.04 -0.93 0.75 0.34 0.70 0.00 0.00 175.22 176.13 1za4 s ASP 14 N 1.12 6.33 0.13 1.36 -1.08 -1.26 -1.04 116.67 122.23 1za4 s ASP 14 Ca 0.11 -0.41 -0.21 0.00 -0.52 0.00 0.00 52.55 51.52 1za4 s ASP 14 Cb -0.18 -2.36 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1za4 s ASP 14 CO -0.13 -0.96 1.69 0.40 0.52 0.00 0.00 175.17 176.69 1za4 h ILE 15 N 5.94 0.70 -0.88 4.11 1.08 -1.78 -1.03 117.51 125.65 1za4 h ILE 15 Ca -0.26 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.32 1za4 h ILE 15 Cb 1.09 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 35.46 1za4 h ILE 15 CO 0.98 0.00 0.51 -0.26 -0.69 0.00 0.00 178.15 178.69 1za4 h PHE 16 N -0.07 0.92 -0.83 1.37 0.05 -1.93 0.18 116.94 116.64 1za4 h PHE 16 Ca 0.10 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.91 1za4 h PHE 16 Cb 0.23 -0.28 -0.04 0.00 2.00 0.00 0.00 35.95 37.86 1za4 h PHE 16 CO -0.25 0.36 0.45 1.49 -0.18 0.00 0.00 178.31 180.17 1za4 h GLU 17 N 0.83 1.15 0.00 1.51 4.81 -1.63 -2.63 114.58 118.62 1za4 h GLU 17 Ca 0.43 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1za4 h GLU 17 Cb 0.44 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1za4 h GLU 17 CO -0.27 0.85 -0.52 -0.07 -0.73 0.00 0.00 179.01 178.27 1za4 h LEU 18 N 1.16 0.00 -0.47 1.64 3.38 0.23 -3.10 115.31 118.13 1za4 h LEU 18 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1za4 h LEU 18 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1za4 h LEU 18 CO -0.05 0.52 0.00 0.35 0.09 0.00 0.00 178.44 179.35 1za4 n THR 19 N -3.55 0.79 0.00 0.22 -2.24 -0.30 -4.34 114.28 104.86 1za4 n THR 19 Ca -0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1za4 n THR 19 Cb 0.61 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1za4 n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1za4 n GLY 20 N 0.25 -1.13 3.75 3.38 0.00 -1.17 -4.65 105.19 105.63 1za4 n GLY 20 Ca 0.03 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1za4 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za4 s ALA 21 N -1.82 3.42 -1.42 4.61 0.00 -1.26 -4.73 121.76 120.56 1za4 s ALA 21 Ca 0.00 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1za4 s ALA 21 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1za4 s ALA 21 CO 0.00 -0.26 2.11 0.00 0.00 0.00 0.00 175.76 177.61 1za4 n ALA 22 N 1.47 5.05 -1.39 0.00 0.00 -1.26 -4.96 120.51 119.41 1za4 n ALA 22 Ca 0.00 -3.87 -0.30 0.00 0.00 0.00 0.00 53.44 49.27 1za4 n ALA 22 Cb 0.44 -3.56 0.12 0.00 0.00 0.00 0.00 19.45 16.46 1za4 n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1za4 s ARG 23 N 3.45 1.53 0.11 0.00 0.52 -1.26 -4.89 118.95 118.40 1za4 s ARG 23 Ca 0.49 0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 56.04 1za4 s ARG 23 Cb 0.11 -1.85 -0.10 0.00 0.52 0.00 0.00 34.95 33.63 1za4 s ARG 23 CO -0.05 -2.01 1.84 0.21 0.02 0.00 0.00 175.30 175.31 1za4 s LYS 24 N -5.08 4.14 -0.12 3.54 2.20 -1.26 -1.46 119.74 121.70 1za4 s LYS 24 Ca 0.62 2.58 -0.00 0.00 -0.36 0.00 0.00 55.97 58.81 1za4 s LYS 24 Cb -0.16 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1za4 s LYS 24 CO 0.55 -0.85 0.03 0.41 -0.36 0.00 0.00 175.35 175.13 1za4 n GLY 25 N 4.26 0.48 0.91 5.54 0.00 -1.26 -4.95 105.19 110.17 1za4 n GLY 25 Ca 0.18 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1za4 n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1za4 n SER 26 N 1.53 2.85 0.00 1.61 3.41 -0.53 -4.95 113.62 117.53 1za4 n SER 26 Ca -0.01 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1za4 n SER 26 Cb 0.51 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1za4 n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1za4 n GLY 27 N 1.33 0.67 3.15 5.00 0.00 -1.26 -2.80 105.19 111.27 1za4 n GLY 27 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1za4 n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1za4 s ARG 28 N -0.75 0.69 -0.10 1.61 1.70 -1.26 -1.20 118.95 119.63 1za4 s ARG 28 Ca 0.00 -0.92 0.02 0.00 -0.47 0.00 0.00 55.73 54.36 1za4 s ARG 28 Cb 0.00 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.66 1za4 s ARG 28 CO 0.00 -0.18 -0.15 0.50 -1.08 0.00 0.00 175.30 174.39 1za4 s ARG 29 N -3.32 2.17 0.14 3.89 3.52 -0.39 -4.84 118.95 120.12 1za4 s ARG 29 Ca 0.01 -0.55 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 1za4 s ARG 29 Cb 0.03 -1.84 -0.09 0.00 -1.56 0.00 0.00 34.95 31.48 1za4 s ARG 29 CO -0.08 -0.05 1.51 -1.17 -0.81 0.00 0.00 175.30 174.70 1za4 s LEU 30 N 0.96 4.37 0.00 -0.88 2.96 -1.26 -0.56 118.68 124.27 1za4 s LEU 30 Ca -0.07 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 1za4 s LEU 30 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1za4 s LEU 30 CO -0.01 -0.77 0.00 1.33 -1.32 0.00 0.00 176.35 175.58 1za4 n VAL 31 N 4.02 0.00 -3.84 1.68 0.24 -0.24 -4.90 118.33 115.29 1za4 n VAL 31 Ca 0.13 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.10 1za4 n VAL 31 Cb 0.40 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.72 1za4 n VAL 31 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1za4 s LYS 32 N -0.76 3.50 0.30 7.34 1.02 -1.26 -3.25 119.74 126.64 1za4 s LYS 32 Ca 0.00 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.79 1za4 s LYS 32 Cb 0.00 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1za4 s LYS 32 CO 0.00 0.65 0.13 0.20 -0.92 0.00 0.00 175.35 175.41 1za4 s GLY 33 N -1.91 2.02 0.43 -3.33 0.00 -1.26 -4.86 107.32 98.41 1za4 s GLY 33 Ca 0.29 -1.76 0.16 0.00 0.00 0.00 0.00 44.72 43.41 1za4 s GLY 33 CO 0.19 -1.63 1.93 -0.56 0.00 0.00 0.00 173.10 173.03 1za4 h PRO 34 N 2.21 0.38 -5.44 2.90 0.13 -1.99 -3.33 132.00 126.86 1za4 h PRO 34 Ca -0.36 -0.02 -0.64 0.00 -0.87 0.00 0.00 66.00 64.11 1za4 h PRO 34 Cb 1.25 -0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 1za4 h PRO 34 CO 0.56 0.25 0.32 0.34 -0.23 0.00 0.00 178.00 179.25 1za4 s ASP 35 N -6.01 6.28 0.48 1.44 -1.08 -1.26 -4.92 116.67 111.60 1za4 s ASP 35 Ca -0.08 -0.62 0.31 0.00 -0.52 0.00 0.00 52.55 51.65 1za4 s ASP 35 Cb 0.21 -2.37 1.28 0.00 -1.46 0.00 0.00 42.92 40.58 1za4 s ASP 35 CO 0.76 -1.07 1.92 1.55 0.52 0.00 0.00 175.17 178.85 1za4 h PRO 36 N 9.16 0.00 -0.74 4.34 0.13 -2.02 -3.05 132.00 139.82 1za4 h PRO 36 Ca -0.27 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.61 1za4 h PRO 36 Cb 1.08 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.06 1za4 h PRO 36 CO 1.03 0.00 0.30 -1.13 -0.23 0.00 0.00 178.00 177.97 1za4 n SER 37 N -2.88 4.48 -3.73 1.44 3.41 -1.26 -4.91 113.62 110.16 1za4 n SER 37 Ca 0.01 -3.32 -0.13 0.00 -0.26 0.00 0.00 58.87 55.17 1za4 n SER 37 Cb 0.29 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.40 1za4 n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1za4 s SER 38 N -1.22 -0.36 0.40 4.04 0.15 -1.15 -5.16 113.70 110.39 1za4 s SER 38 Ca 0.54 0.58 -0.25 0.00 0.70 0.00 0.00 55.95 57.52 1za4 s SER 38 Cb 0.44 0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 65.31 1za4 s SER 38 CO 0.12 -0.26 1.18 -2.16 1.20 0.00 0.00 173.24 173.32 1za4 s PRO 39 N -0.35 4.07 0.16 5.44 0.04 -1.26 -4.69 135.00 138.40 1za4 s PRO 39 Ca -0.05 1.88 0.10 0.00 0.04 0.00 0.00 61.00 62.97 1za4 s PRO 39 Cb -0.03 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1za4 s PRO 39 CO 0.02 -0.32 -0.21 0.00 0.04 0.00 0.00 177.00 176.53 1za4 s ALA 40 N -1.39 2.60 -0.07 8.56 0.00 -1.20 -4.42 121.76 125.84 1za4 s ALA 40 Ca 0.57 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1za4 s ALA 40 Cb -0.32 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1za4 s ALA 40 CO 0.40 0.50 0.01 -0.06 0.00 0.00 0.00 175.76 176.61 1za4 s PHE 41 N -1.40 0.60 -0.12 0.00 0.40 -0.27 -1.08 117.98 116.11 1za4 s PHE 41 Ca 0.19 -0.14 -0.27 0.00 -0.60 0.00 0.00 56.93 56.12 1za4 s PHE 41 Cb -0.09 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 1za4 s PHE 41 CO 0.10 -0.32 0.89 0.50 0.70 0.00 0.00 175.22 177.08 1za4 s ARG 42 N 2.00 4.38 -0.18 0.44 3.52 0.27 -1.52 118.95 127.86 1za4 s ARG 42 Ca 0.05 1.16 -0.29 0.00 -0.13 0.00 0.00 55.73 56.52 1za4 s ARG 42 Cb -0.12 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1za4 s ARG 42 CO -0.05 -0.25 1.23 0.42 -0.81 0.00 0.00 175.30 175.84 1za4 s ILE 43 N 1.83 4.34 -0.21 4.11 -1.09 -0.22 -1.27 121.20 128.69 1za4 s ILE 43 Ca 0.43 1.61 0.05 0.00 -2.23 0.00 0.00 60.65 60.51 1za4 s ILE 43 Cb -0.18 -4.06 -0.16 0.00 -1.58 0.00 0.00 42.46 36.48 1za4 s ILE 43 CO 0.16 -0.16 -0.14 -0.62 -1.23 0.00 0.00 174.94 172.95 1za4 n GLU 44 N 6.60 0.70 -3.19 2.79 1.02 -0.61 -4.61 120.64 123.34 1za4 n GLU 44 Ca 0.14 0.10 0.02 0.00 -0.02 0.00 0.00 57.16 57.39 1za4 n GLU 44 Cb 0.45 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1za4 n GLU 44 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1za4 s ASP 45 N -5.92 -1.52 0.46 1.62 -1.08 -0.34 -5.01 116.67 104.88 1za4 s ASP 45 Ca -0.25 -0.56 0.20 0.00 -0.52 0.00 0.00 52.55 51.41 1za4 s ASP 45 Cb 0.07 1.94 1.17 0.00 -1.46 0.00 0.00 42.92 44.64 1za4 s ASP 45 CO 0.56 -0.19 1.92 0.00 0.52 0.00 0.00 175.17 177.97 1za4 h ALA 46 N 7.16 2.29 0.00 3.66 0.00 -1.87 -0.80 119.26 129.69 1za4 h ALA 46 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1za4 h ALA 46 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1za4 h ALA 46 CO 0.10 -0.51 -0.05 -0.91 0.00 0.00 0.00 179.25 177.89 1za4 h ASN 47 N 0.29 0.00 1.46 0.00 2.35 -1.92 -2.09 115.58 115.66 1za4 h ASN 47 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1za4 h ASN 47 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1za4 h ASN 47 CO -0.10 0.05 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.30 1za4 h LEU 48 N 0.00 0.00 -9.30 1.61 3.38 -1.42 -3.45 115.31 106.14 1za4 h LEU 48 Ca -0.00 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 1za4 h LEU 48 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1za4 h LEU 48 CO 0.01 0.02 1.03 -0.63 0.09 0.00 0.00 178.44 178.95 1za4 s ILE 49 N -3.22 3.58 0.60 1.22 1.01 -0.79 -4.53 121.20 119.07 1za4 s ILE 49 Ca 0.06 0.79 -0.19 0.00 0.00 0.00 0.00 60.65 61.31 1za4 s ILE 49 Cb 0.09 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1za4 s ILE 49 CO 0.69 -0.05 1.25 -2.16 0.00 0.00 0.00 174.94 174.67 1za4 s PRO 50 N 3.57 2.89 0.69 2.79 0.04 -1.26 -4.90 135.00 138.81 1za4 s PRO 50 Ca 0.71 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 1za4 s PRO 50 Cb -0.33 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1za4 s PRO 50 CO 0.28 -1.30 1.08 -1.25 0.04 0.00 0.00 177.00 175.85 1za4 s PRO 51 N -3.28 2.79 0.27 0.56 0.04 -1.26 -4.75 135.00 129.36 1za4 s PRO 51 Ca 0.78 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1za4 s PRO 51 Cb -0.33 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1za4 s PRO 51 CO 0.36 -1.23 1.48 0.08 0.04 0.00 0.00 177.00 177.74 1za4 s VAL 52 N -2.72 2.46 0.41 -0.36 1.01 -0.68 -4.75 120.40 115.77 1za4 s VAL 52 Ca 0.62 0.40 -0.26 0.00 0.00 0.00 0.00 61.98 62.74 1za4 s VAL 52 Cb -0.17 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1za4 s VAL 52 CO 0.48 0.07 1.26 -2.65 0.00 0.00 0.00 175.10 174.26 1za4 n PRO 53 N 2.14 1.91 -0.19 2.72 -0.02 -1.26 -4.58 135.00 135.71 1za4 n PRO 53 Ca 0.07 0.68 -0.03 0.00 -2.02 0.00 0.00 63.50 62.20 1za4 n PRO 53 Cb 0.39 -2.36 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1za4 n PRO 53 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1za4 h ASP 54 N 2.10 -0.77 -0.96 2.55 3.32 -1.91 -1.21 116.42 119.55 1za4 h ASP 54 Ca -0.47 0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.78 1za4 h ASP 54 Cb 1.30 0.44 -0.05 0.00 0.22 0.00 0.00 39.33 41.24 1za4 h ASP 54 CO 0.60 -0.24 0.62 -2.24 -1.72 0.00 0.00 179.24 176.26 1za4 h ASP 55 N -0.07 1.11 0.50 6.45 3.04 -1.95 -1.43 116.42 124.08 1za4 h ASP 55 Ca 0.27 -0.04 -0.12 0.00 -3.24 0.00 0.00 57.03 53.89 1za4 h ASP 55 Cb 0.49 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.48 1za4 h ASP 55 CO -0.63 0.81 -0.57 0.11 -2.04 0.00 0.00 179.24 176.93 1za4 h LYS 56 N 1.30 0.07 -0.31 4.15 1.57 -1.78 -2.79 116.57 118.78 1za4 h LYS 56 Ca 0.35 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1za4 h LYS 56 Cb -0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1za4 h LYS 56 CO -0.07 0.61 -0.38 0.35 -0.57 0.00 0.00 179.45 179.39 1za4 h PHE 57 N 0.05 0.86 -0.77 -1.35 3.57 -0.73 -2.89 116.94 115.68 1za4 h PHE 57 Ca -0.00 -0.25 0.07 0.00 3.53 0.00 0.00 57.97 61.32 1za4 h PHE 57 Cb 1.02 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1za4 h PHE 57 CO 0.01 0.99 0.51 0.37 -2.23 0.00 0.00 178.31 177.95 1za4 h GLN 58 N 0.60 0.78 -0.65 1.11 5.75 -1.00 0.11 115.11 121.80 1za4 h GLN 58 Ca 0.05 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1za4 h GLN 58 Cb 0.92 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 1za4 h GLN 58 CO 0.08 0.52 0.35 -0.44 -2.65 0.00 0.00 178.83 176.69 1za4 h ASP 59 N 0.81 0.82 -0.14 -0.69 5.19 -1.43 -0.77 116.42 120.21 1za4 h ASP 59 Ca 0.34 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1za4 h ASP 59 Cb 0.27 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1za4 h ASP 59 CO -0.12 0.69 0.08 0.25 -3.12 0.00 0.00 179.24 177.02 1za4 h LEU 60 N 0.89 0.18 -0.09 1.55 5.85 -0.82 -0.80 115.31 122.08 1za4 h LEU 60 Ca 0.23 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1za4 h LEU 60 Cb 0.05 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1za4 h LEU 60 CO -0.04 0.21 -0.09 0.58 -0.34 0.00 0.00 178.44 178.77 1za4 h VAL 61 N 0.14 0.75 -0.93 1.05 2.07 -0.78 0.55 116.25 119.10 1za4 h VAL 61 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1za4 h VAL 61 Cb 0.07 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1za4 h VAL 61 CO -0.01 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.64 1za4 h ASP 62 N -0.11 1.05 -0.52 0.57 3.45 -1.06 0.41 116.42 120.22 1za4 h ASP 62 Ca 0.07 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.46 1za4 h ASP 62 Cb 0.20 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 1za4 h ASP 62 CO -0.15 0.75 0.14 0.00 -1.57 0.00 0.00 179.24 178.41 1za4 h ALA 63 N 1.35 0.69 -0.47 3.45 0.00 -0.52 -1.77 119.26 122.00 1za4 h ALA 63 Ca 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1za4 h ALA 63 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1za4 h ALA 63 CO -0.09 0.37 0.20 0.28 0.00 0.00 0.00 179.25 180.01 1za4 h VAL 64 N 0.72 1.20 -0.62 0.00 2.07 -0.21 -0.97 116.25 118.44 1za4 h VAL 64 Ca 0.17 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1za4 h VAL 64 Cb 0.31 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1za4 h VAL 64 CO -0.00 0.23 0.41 0.03 0.02 0.00 0.00 177.57 178.26 1za4 h ARG 65 N 0.61 0.80 -0.04 1.57 3.08 -0.73 0.34 114.38 120.01 1za4 h ARG 65 Ca 0.16 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.94 1za4 h ARG 65 Cb 0.16 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.05 1za4 h ARG 65 CO -0.02 0.53 -0.81 1.15 -1.07 0.00 0.00 179.97 179.75 1za4 h THR 66 N 0.82 1.33 0.00 2.04 2.02 -0.71 -3.26 112.91 115.14 1za4 h THR 66 Ca 0.23 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1za4 h THR 66 Cb -0.07 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1za4 h THR 66 CO -0.05 0.64 -0.25 1.21 0.37 0.00 0.00 175.52 177.43 1za4 n GLU 67 N -4.01 0.06 -2.91 6.66 2.13 -0.42 -4.92 120.64 117.22 1za4 n GLU 67 Ca -0.10 0.03 -0.18 0.00 0.66 0.00 0.00 57.16 57.58 1za4 n GLU 67 Cb 0.77 -1.55 0.03 0.00 0.27 0.00 0.00 31.44 30.96 1za4 n GLU 67 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1za4 n LYS 68 N -1.65 -4.15 -0.40 5.31 4.76 0.06 -4.80 118.16 117.29 1za4 n LYS 68 Ca 0.06 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1za4 n LYS 68 Cb 0.36 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.36 1za4 n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1za4 n GLY 69 N -1.40 -0.09 3.76 0.72 0.00 -0.88 -0.59 105.19 106.70 1za4 n GLY 69 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1za4 n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1za4 s PHE 70 N -3.85 -0.03 -0.16 1.61 -0.12 1.00 -4.39 117.98 112.04 1za4 s PHE 70 Ca 0.00 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 1za4 s PHE 70 Cb 0.00 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 43.00 1za4 s PHE 70 CO 0.00 -0.47 -0.16 -1.17 -0.05 0.00 0.00 175.22 173.38 1za4 s LEU 71 N -3.20 1.82 -0.19 -1.99 2.96 -1.17 -1.12 118.68 115.80 1za4 s LEU 71 Ca 0.18 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1za4 s LEU 71 Cb 0.02 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1za4 s LEU 71 CO -0.01 -0.04 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.71 1za4 s LEU 72 N 1.43 3.02 -0.02 -0.68 2.96 0.40 -0.70 118.68 125.10 1za4 s LEU 72 Ca 0.05 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1za4 s LEU 72 Cb -0.13 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1za4 s LEU 72 CO -0.11 0.07 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.15 1za4 s LEU 73 N 0.93 3.11 -0.27 -0.68 1.02 0.51 -0.20 118.68 123.09 1za4 s LEU 73 Ca -0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 54.13 53.78 1za4 s LEU 73 Cb -0.15 -1.74 0.08 0.00 0.02 0.00 0.00 46.19 44.40 1za4 s LEU 73 CO 0.01 0.31 0.75 0.00 0.02 0.00 0.00 176.35 177.44 1za4 s ALA 74 N -0.92 -1.81 -0.14 4.21 0.00 -0.93 -0.56 121.76 121.61 1za4 s ALA 74 Ca 0.15 2.05 -0.00 0.00 0.00 0.00 0.00 51.96 54.16 1za4 s ALA 74 Cb -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1za4 s ALA 74 CO 0.05 -0.33 -0.13 -1.12 0.00 0.00 0.00 175.76 174.22 1za4 s SER 75 N 0.47 3.93 -0.01 0.00 0.01 -0.64 -0.27 113.70 117.19 1za4 s SER 75 Ca -0.01 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.85 1za4 s SER 75 Cb -0.05 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1za4 s SER 75 CO -0.02 0.14 0.08 -1.48 0.41 0.00 0.00 173.24 172.37 1za4 s LEU 76 N 0.51 1.74 -0.33 2.44 2.34 0.08 -1.43 118.68 124.03 1za4 s LEU 76 Ca -0.09 -0.07 0.02 0.00 0.06 0.00 0.00 54.13 54.06 1za4 s LEU 76 Cb -0.16 0.37 0.10 0.00 -0.56 0.00 0.00 46.19 45.94 1za4 s LEU 76 CO 0.04 -0.18 0.06 -0.60 -1.06 0.00 0.00 176.35 174.61 1za4 s ARG 77 N -0.66 1.25 0.00 1.48 3.52 -0.09 -1.18 118.95 123.26 1za4 s ARG 77 Ca -0.07 -1.61 0.00 0.00 -0.13 0.00 0.00 55.73 53.92 1za4 s ARG 77 Cb -0.05 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1za4 s ARG 77 CO 0.00 -0.95 0.00 0.94 -0.81 0.00 0.00 175.30 174.49 1za4 n GLN 78 N 4.45 0.00 -4.47 5.12 7.27 -1.22 -0.40 117.38 128.13 1za4 n GLN 78 Ca 0.02 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.74 1za4 n GLN 78 Cb 0.42 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.97 1za4 n GLN 78 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1za4 s LYS 80 N 3.91 2.92 -1.47 3.69 1.02 -1.26 -2.71 119.74 125.83 1za4 s LYS 80 Ca 0.00 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 1za4 s LYS 80 Cb 0.00 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1za4 s LYS 80 CO 0.00 0.67 0.58 1.63 -0.92 0.00 0.00 175.35 177.31 1za4 n LYS 81 N 2.22 -4.51 -4.38 1.68 5.02 -1.26 -5.00 118.16 111.93 1za4 n LYS 81 Ca -0.18 0.78 -0.27 0.00 -2.02 0.00 0.00 58.31 56.62 1za4 n LYS 81 Cb 0.53 -5.60 -0.12 0.00 -0.02 0.00 0.00 35.03 29.82 1za4 n LYS 81 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1za4 s THR 82 N -3.11 2.18 -0.33 -0.18 -4.23 -1.26 -4.49 115.64 104.23 1za4 s THR 82 Ca 0.33 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.86 1za4 s THR 82 Cb -0.16 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 1za4 s THR 82 CO 0.41 -0.04 0.29 -0.13 -0.54 0.00 0.00 174.62 174.61 1za4 s ARG 83 N -2.33 3.63 -0.16 3.99 0.52 -1.26 -0.77 118.95 122.57 1za4 s ARG 83 Ca 0.16 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1za4 s ARG 83 Cb -0.09 -3.77 0.02 0.00 0.52 0.00 0.00 34.95 31.63 1za4 s ARG 83 CO 0.07 -0.42 -0.16 0.20 0.02 0.00 0.00 175.30 175.01 1za4 s GLY 84 N 1.73 1.22 -0.03 -3.53 0.00 -0.66 -4.39 107.32 101.66 1za4 s GLY 84 Ca 0.09 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 1za4 s GLY 84 CO 0.11 0.42 1.22 -1.59 0.00 0.00 0.00 173.10 173.26 1za4 s THR 85 N 1.39 4.16 -0.14 0.90 2.01 0.87 -0.93 115.64 123.89 1za4 s THR 85 Ca 0.04 1.51 -0.24 0.00 0.31 0.00 0.00 61.69 63.31 1za4 s THR 85 Cb -0.13 -3.97 -0.25 0.00 0.01 0.00 0.00 72.50 68.16 1za4 s THR 85 CO -0.11 0.02 0.60 -0.07 -0.69 0.00 0.00 174.62 174.37 1za4 h LEU 86 N 7.97 0.12 -7.51 4.42 3.38 -1.18 -3.29 115.31 119.23 1za4 h LEU 86 Ca -0.36 -0.84 -0.11 0.00 0.09 0.00 0.00 57.88 56.67 1za4 h LEU 86 Cb 1.17 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.69 1za4 h LEU 86 CO 0.87 1.29 -0.25 -0.76 0.09 0.00 0.00 178.44 179.67 1za4 s LEU 87 N -7.97 0.82 -0.04 1.67 1.43 -1.21 -1.54 118.68 111.85 1za4 s LEU 87 Ca -0.21 0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 1za4 s LEU 87 Cb 0.01 1.33 0.04 0.00 0.03 0.00 0.00 46.19 47.61 1za4 s LEU 87 CO 0.69 -0.51 0.46 0.00 0.23 0.00 0.00 176.35 177.22 1za4 s ALA 88 N -1.76 -1.18 -0.42 4.21 0.00 -0.67 -1.36 121.76 120.57 1za4 s ALA 88 Ca -0.11 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 1za4 s ALA 88 Cb -0.04 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.19 1za4 s ALA 88 CO 0.02 -0.30 0.25 -0.51 0.00 0.00 0.00 175.76 175.21 1za4 s LEU 89 N -1.20 5.28 -0.02 0.00 1.02 0.17 -0.74 118.68 123.19 1za4 s LEU 89 Ca -0.12 -1.84 -0.11 0.00 0.02 0.00 0.00 54.13 52.07 1za4 s LEU 89 Cb -0.03 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.22 1za4 s LEU 89 CO 0.06 -0.57 0.32 -1.83 0.02 0.00 0.00 176.35 174.35 1za4 s GLU 90 N 1.27 3.74 0.43 1.70 -1.05 -0.57 -0.52 118.70 123.70 1za4 s GLU 90 Ca 0.06 0.20 -0.24 0.00 -0.15 0.00 0.00 54.97 54.83 1za4 s GLU 90 Cb -0.24 -3.18 -0.08 0.00 -0.44 0.00 0.00 34.13 30.20 1za4 s GLU 90 CO -0.02 0.70 1.16 1.03 0.95 0.00 0.00 175.26 179.08 1za4 s ARG 91 N -1.21 3.91 0.45 -4.83 0.52 0.50 -1.06 118.95 117.22 1za4 s ARG 91 Ca 0.23 1.77 0.21 0.00 -0.52 0.00 0.00 55.73 57.42 1za4 s ARG 91 Cb -0.15 -2.52 1.05 0.00 0.52 0.00 0.00 34.95 33.86 1za4 s ARG 91 CO 0.12 -0.43 1.92 0.87 0.02 0.00 0.00 175.30 177.80 1za4 h LYS 92 N 2.31 0.00 -0.01 3.54 1.57 -1.37 -2.89 116.57 119.72 1za4 h LYS 92 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1za4 h LYS 92 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1za4 h LYS 92 CO 0.61 0.24 0.00 -0.40 -0.57 0.00 0.00 179.45 179.33 1za4 n ASP 93 N -3.72 0.13 0.00 0.86 5.68 -1.26 -4.90 116.55 113.34 1za4 n ASP 93 Ca -0.01 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1za4 n ASP 93 Cb 0.35 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1za4 n ASP 93 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1za4 n HIS 94 N -0.83 0.00 0.27 2.11 8.25 -1.09 -4.89 115.22 119.04 1za4 n HIS 94 Ca 0.20 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.83 1za4 n HIS 94 Cb 0.11 -0.85 0.66 0.00 1.12 0.00 0.00 29.99 31.03 1za4 n HIS 94 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1za4 h SER 95 N 0.00 0.00 -0.53 0.41 4.64 -1.91 -3.49 113.55 112.67 1za4 h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1za4 h SER 95 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1za4 h SER 95 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1za4 n GLY 96 N 0.04 -0.55 3.67 -0.77 0.00 -1.26 -5.06 105.19 101.27 1za4 n GLY 96 Ca 0.01 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1za4 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1za4 s GLN 97 N -2.00 2.81 0.09 1.61 -0.21 -1.26 -0.37 119.66 120.33 1za4 s GLN 97 Ca 0.00 -0.57 0.22 0.00 0.02 0.00 0.00 55.36 55.03 1za4 s GLN 97 Cb 0.00 -2.68 -0.16 0.00 1.00 0.00 0.00 33.01 31.16 1za4 s GLN 97 CO 0.00 0.64 0.77 1.55 -2.12 0.00 0.00 175.29 176.13 1za4 n VAL 98 N 1.62 0.32 -3.55 1.09 3.14 0.32 -4.60 118.33 116.67 1za4 n VAL 98 Ca -0.16 -0.52 -0.16 0.00 -2.96 0.00 0.00 64.34 60.54 1za4 n VAL 98 Cb 0.53 -0.17 -0.06 0.00 -1.06 0.00 0.00 33.84 33.08 1za4 n VAL 98 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1za4 s PHE 99 N -3.44 -0.63 -0.03 1.45 5.36 -1.24 -0.42 117.98 119.04 1za4 s PHE 99 Ca -0.04 1.19 -0.29 0.00 -0.96 0.00 0.00 56.93 56.83 1za4 s PHE 99 Cb 0.12 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.27 1za4 s PHE 99 CO 0.85 -0.52 0.75 -1.54 -1.46 0.00 0.00 175.22 173.30 1za4 s SER 100 N -0.86 -0.55 -0.21 6.13 1.04 -0.45 -0.66 113.70 118.14 1za4 s SER 100 Ca -0.07 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1za4 s SER 100 Cb -0.01 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.64 1za4 s SER 100 CO 0.07 -0.62 -0.08 -0.69 0.98 0.00 0.00 173.24 172.89 1za4 s VAL 101 N -1.86 1.55 -0.14 5.02 1.01 -0.47 -1.62 120.40 123.90 1za4 s VAL 101 Ca -0.05 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1za4 s VAL 101 Cb -0.00 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1za4 s VAL 101 CO 0.02 0.06 -0.21 -0.69 0.00 0.00 0.00 175.10 174.28 1za4 s VAL 102 N 1.42 2.21 -0.72 2.92 1.01 0.16 -0.58 120.40 126.82 1za4 s VAL 102 Ca -0.03 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 1za4 s VAL 102 Cb -0.17 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1za4 s VAL 102 CO -0.07 0.54 1.15 -0.55 0.00 0.00 0.00 175.10 176.17 1za4 s SER 103 N 0.75 6.18 -0.74 3.32 0.15 -0.11 0.18 113.70 123.44 1za4 s SER 103 Ca -0.08 -0.74 -0.23 0.00 0.70 0.00 0.00 55.95 55.61 1za4 s SER 103 Cb -0.16 -2.50 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1za4 s SER 103 CO -0.00 -1.65 1.07 0.21 1.20 0.00 0.00 173.24 174.07 1za4 s ASN 104 N 3.75 6.27 0.37 5.45 3.84 0.71 -1.65 114.94 133.68 1za4 s ASN 104 Ca 0.30 -1.12 0.27 0.00 0.21 0.00 0.00 52.86 52.51 1za4 s ASN 104 Cb -0.12 -2.45 0.87 0.00 -0.55 0.00 0.00 41.25 39.00 1za4 s ASN 104 CO 0.12 -1.44 1.77 1.23 -2.79 0.00 0.00 177.10 175.99 1za4 h GLY 105 N 11.54 0.00 1.65 1.21 0.00 -1.19 0.13 103.07 116.41 1za4 h GLY 105 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.89 1za4 h GLY 105 CO 1.20 0.00 -1.16 0.50 0.00 0.00 0.00 176.54 177.08 1za4 h LYS 106 N 0.00 0.27 0.00 4.80 1.57 -1.79 -3.34 116.57 118.08 1za4 h LYS 106 Ca 0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1za4 h LYS 106 Cb 0.67 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1za4 h LYS 106 CO 0.00 1.17 -1.34 0.00 -0.57 0.00 0.00 179.45 178.71 1za4 n ALA 107 N -2.52 4.04 -2.79 3.86 0.00 -1.20 -4.99 120.51 116.91 1za4 n ALA 107 Ca -0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 1za4 n ALA 107 Cb 0.98 -0.77 0.04 0.00 0.00 0.00 0.00 19.45 19.69 1za4 n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1za4 n GLY 108 N 1.41 0.19 3.30 0.00 0.00 -0.05 -4.94 105.19 105.09 1za4 n GLY 108 Ca 0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1za4 n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1za4 s THR 109 N -3.15 0.03 -0.26 2.61 -4.23 -0.67 -2.19 115.64 107.78 1za4 s THR 109 Ca 0.12 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1za4 s THR 109 Cb -0.05 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.57 1za4 s THR 109 CO 0.32 -0.12 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.00 1za4 s LEU 110 N -3.08 3.30 -0.12 4.79 2.96 -0.89 -0.21 118.68 125.43 1za4 s LEU 110 Ca 0.29 -0.97 -0.15 0.00 -0.22 0.00 0.00 54.13 53.08 1za4 s LEU 110 Cb 0.05 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 1za4 s LEU 110 CO 0.08 -0.15 0.37 -1.81 -1.32 0.00 0.00 176.35 173.52 1za4 s ASP 111 N 1.30 6.58 -0.24 3.68 1.01 0.13 -0.38 116.67 128.74 1za4 s ASP 111 Ca -0.01 0.69 -0.01 0.00 0.71 0.00 0.00 52.55 53.93 1za4 s ASP 111 Cb -0.17 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.56 1za4 s ASP 111 CO -0.04 0.11 -0.08 -0.76 0.21 0.00 0.00 175.17 174.61 1za4 s LEU 112 N 0.22 3.12 -0.12 1.23 1.43 0.55 -0.66 118.68 124.45 1za4 s LEU 112 Ca 0.21 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1za4 s LEU 112 Cb -0.14 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1za4 s LEU 112 CO 0.08 -0.12 -0.10 -0.44 0.23 0.00 0.00 176.35 175.99 1za4 s SER 113 N 1.29 4.26 -0.03 2.29 0.01 -0.64 -1.11 113.70 119.78 1za4 s SER 113 Ca -0.01 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1za4 s SER 113 Cb -0.17 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.57 1za4 s SER 113 CO -0.05 0.21 -0.08 -0.76 0.41 0.00 0.00 173.24 172.97 1za4 s LEU 114 N 0.07 1.72 -0.21 2.44 1.02 0.31 -1.34 118.68 122.68 1za4 s LEU 114 Ca -0.04 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 53.94 1za4 s LEU 114 Cb -0.14 -0.53 0.03 0.00 0.02 0.00 0.00 46.19 45.57 1za4 s LEU 114 CO 0.04 0.04 -0.15 -0.89 0.02 0.00 0.00 176.35 175.41 1za4 s THR 115 N 0.32 2.26 -0.07 5.49 2.01 0.45 0.39 115.64 126.49 1za4 s THR 115 Ca -0.05 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1za4 s THR 115 Cb -0.10 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1za4 s THR 115 CO 0.01 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.51 1za4 s VAL 116 N 1.26 0.91 -1.66 3.82 1.01 -0.51 -4.78 120.40 120.44 1za4 s VAL 116 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1za4 s VAL 116 Cb -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1za4 s VAL 116 CO -0.09 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.32 1za4 n GLN 117 N 4.12 -1.51 0.00 2.72 6.02 -1.26 -1.89 117.38 125.58 1za4 n GLN 117 Ca -0.21 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1za4 n GLN 117 Cb 0.51 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.28 1za4 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1za4 n GLY 118 N -0.99 2.76 3.67 1.08 0.00 -1.26 -5.02 105.19 105.43 1za4 n GLY 118 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1za4 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za4 s LYS 119 N -0.44 4.22 -0.21 1.61 1.02 -0.79 -5.06 119.74 120.09 1za4 s LYS 119 Ca 0.00 0.43 -0.14 0.00 0.02 0.00 0.00 55.97 56.28 1za4 s LYS 119 Cb 0.00 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1za4 s LYS 119 CO 0.00 -0.10 0.30 -1.14 -0.92 0.00 0.00 175.35 173.49 1za4 s GLN 120 N 1.46 4.15 -0.16 1.68 0.74 -1.26 -1.42 119.66 124.84 1za4 s GLN 120 Ca 0.25 0.01 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 1za4 s GLN 120 Cb -0.15 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 1za4 s GLN 120 CO 0.10 0.03 -0.08 -1.01 -0.55 0.00 0.00 175.29 173.78 1za4 s HIS 121 N 1.12 2.91 -0.08 1.67 3.76 0.16 -4.97 115.29 119.85 1za4 s HIS 121 Ca 0.14 -0.65 0.04 0.00 -0.15 0.00 0.00 55.06 54.44 1za4 s HIS 121 Cb -0.14 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1za4 s HIS 121 CO 0.06 -0.27 -0.20 0.08 -0.85 0.00 0.00 174.74 173.56 1za4 s VAL 122 N 0.69 1.72 -0.02 -0.90 1.01 -1.26 -0.53 120.40 121.11 1za4 s VAL 122 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1za4 s VAL 122 Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1za4 s VAL 122 CO 0.02 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.77 1za4 s VAL 123 N 0.39 1.17 -0.17 2.92 1.01 -0.26 -4.99 120.40 120.47 1za4 s VAL 123 Ca -0.15 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1za4 s VAL 123 Cb -0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1za4 s VAL 123 CO 0.06 0.34 0.08 -0.44 0.00 0.00 0.00 175.10 175.14 1za4 s SER 124 N -0.15 5.78 -0.45 3.32 0.01 -1.26 -0.33 113.70 120.62 1za4 s SER 124 Ca 0.02 0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.24 1za4 s SER 124 Cb -0.08 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.23 1za4 s SER 124 CO 0.00 0.23 0.61 -0.69 0.41 0.00 0.00 173.24 173.80 1za4 s VAL 125 N 0.07 4.87 0.95 3.43 1.01 0.48 -4.92 120.40 126.28 1za4 s VAL 125 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1za4 s VAL 125 Cb -0.12 -4.21 0.16 0.00 0.00 0.00 0.00 36.38 32.22 1za4 s VAL 125 CO 0.00 -0.62 1.09 -1.61 0.00 0.00 0.00 175.10 173.96 1za4 s GLU 126 N 2.70 0.80 -1.35 2.72 2.02 -1.26 -2.09 118.70 122.24 1za4 s GLU 126 Ca 0.20 0.73 -0.05 0.00 0.02 0.00 0.00 54.97 55.87 1za4 s GLU 126 Cb -0.15 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.31 1za4 s GLU 126 CO 0.17 -2.53 0.48 0.39 0.02 0.00 0.00 175.26 173.79 1za4 n GLU 127 N -4.07 -2.74 -3.23 1.61 -0.58 -1.24 -4.92 120.64 105.47 1za4 n GLU 127 Ca 0.06 0.39 -0.25 0.00 -0.42 0.00 0.00 57.16 56.95 1za4 n GLU 127 Cb 0.56 -4.35 -0.07 0.00 -0.57 0.00 0.00 31.44 27.01 1za4 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1za4 n ALA 128 N -4.39 2.64 -2.57 0.62 0.00 -0.93 -5.02 120.51 110.85 1za4 n ALA 128 Ca -0.27 -3.53 -0.41 0.00 0.00 0.00 0.00 53.44 49.23 1za4 n ALA 128 Cb 0.67 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 1za4 n ALA 128 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1za4 s LEU 129 N -1.23 4.27 0.00 0.00 0.20 -1.26 -3.45 118.68 117.21 1za4 s LEU 129 Ca 0.35 0.12 0.08 0.00 0.69 0.00 0.00 54.13 55.37 1za4 s LEU 129 Cb 0.16 -2.69 0.00 0.00 -0.43 0.00 0.00 46.19 43.23 1za4 s LEU 129 CO -0.11 -0.51 0.57 0.18 -0.29 0.00 0.00 176.35 176.20 1za4 n LEU 130 N 5.85 1.12 -4.23 -0.68 4.77 -1.26 -4.85 117.00 117.72 1za4 n LEU 130 Ca -0.03 -0.79 -0.44 0.00 -0.03 0.00 0.00 56.01 54.72 1za4 n LEU 130 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1za4 n LEU 130 CO 0.46 0.23 1.51 0.00 -1.33 0.00 0.00 177.39 178.26 1za4 n ALA 131 N -0.22 4.48 -2.67 -1.18 0.00 -1.26 -4.27 120.51 115.39 1za4 n ALA 131 Ca 0.03 -4.35 -0.19 0.00 0.00 0.00 0.00 53.44 48.93 1za4 n ALA 131 Cb 0.17 -2.93 -0.12 0.00 0.00 0.00 0.00 19.45 16.56 1za4 n ALA 131 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1za4 s THR 132 N 0.62 1.16 -2.00 0.00 -4.23 -1.10 -4.03 115.64 106.05 1za4 s THR 132 Ca 0.40 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1za4 s THR 132 Cb 0.01 -1.09 0.03 0.00 1.34 0.00 0.00 72.50 72.80 1za4 s THR 132 CO 0.00 -0.12 0.29 0.61 -0.54 0.00 0.00 174.62 174.86 1za4 n GLY 133 N 1.50 -0.13 3.71 3.99 0.00 -1.21 -3.38 105.19 109.66 1za4 n GLY 133 Ca -0.20 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1za4 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1za4 s GLN 134 N -2.00 2.14 0.07 1.61 -1.52 -1.26 -4.82 119.66 113.88 1za4 s GLN 134 Ca 0.02 -1.97 -0.31 0.00 -1.95 0.00 0.00 55.36 51.15 1za4 s GLN 134 Cb 0.01 -1.85 -0.06 0.00 -0.22 0.00 0.00 33.01 30.89 1za4 s GLN 134 CO 0.01 -0.13 1.22 -1.58 -0.25 0.00 0.00 175.29 174.56 1za4 s TRP 135 N -2.66 3.42 0.11 0.91 0.52 -1.26 -4.30 118.94 115.67 1za4 s TRP 135 Ca 0.37 1.26 0.05 0.00 0.02 0.00 0.00 56.10 57.80 1za4 s TRP 135 Cb 0.05 -3.45 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 1za4 s TRP 135 CO 0.20 -1.40 -0.12 0.15 0.02 0.00 0.00 176.95 175.80 1za4 s LYS 136 N 1.03 0.93 -0.04 4.98 1.02 -0.32 -4.98 119.74 122.35 1za4 s LYS 136 Ca 0.59 -1.21 0.03 0.00 0.02 0.00 0.00 55.97 55.40 1za4 s LYS 136 Cb -0.30 -0.69 0.00 0.00 -0.52 0.00 0.00 37.83 36.31 1za4 s LYS 136 CO 0.29 0.12 -0.13 0.45 -0.92 0.00 0.00 175.35 175.17 1za4 s SER 137 N -2.50 1.69 0.13 2.83 0.15 -1.26 -0.74 113.70 114.00 1za4 s SER 137 Ca 0.08 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.55 1za4 s SER 137 Cb -0.03 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1za4 s SER 137 CO 0.01 0.09 -0.22 0.27 1.20 0.00 0.00 173.24 174.59 1za4 s ILE 138 N 0.26 1.94 -0.25 6.45 -4.36 0.62 -0.01 121.20 125.85 1za4 s ILE 138 Ca -0.06 -1.73 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1za4 s ILE 138 Cb -0.11 -1.79 0.08 0.00 1.25 0.00 0.00 42.46 41.88 1za4 s ILE 138 CO 0.02 -0.09 0.04 -0.89 0.24 0.00 0.00 174.94 174.26 1za4 s THR 139 N -1.40 0.93 -0.35 8.37 2.01 -0.29 -2.19 115.64 122.72 1za4 s THR 139 Ca 0.12 -1.08 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 1za4 s THR 139 Cb -0.09 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1za4 s THR 139 CO 0.06 -0.38 0.18 -0.22 -0.69 0.00 0.00 174.62 173.57 1za4 s LEU 140 N 1.63 4.52 -0.32 4.42 2.96 0.71 -1.58 118.68 131.03 1za4 s LEU 140 Ca 0.02 -0.88 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 1za4 s LEU 140 Cb -0.18 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1za4 s LEU 140 CO -0.14 -0.33 0.16 0.12 -1.32 0.00 0.00 176.35 174.84 1za4 s PHE 141 N 1.56 3.19 -0.12 5.38 5.36 0.60 -0.45 117.98 133.49 1za4 s PHE 141 Ca 0.02 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.46 1za4 s PHE 141 Cb -0.19 -2.37 0.01 0.00 -0.34 0.00 0.00 43.02 40.13 1za4 s PHE 141 CO 0.06 -0.46 -0.23 0.08 -1.46 0.00 0.00 175.22 173.21 1za4 s VAL 142 N 1.62 2.07 -0.09 3.12 1.01 -0.27 -0.28 120.40 127.57 1za4 s VAL 142 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1za4 s VAL 142 Cb -0.17 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1za4 s VAL 142 CO 0.07 0.55 0.18 -1.58 0.00 0.00 0.00 175.10 174.32 1za4 s GLN 143 N 0.61 0.09 7.91 2.72 0.74 -0.37 -0.00 119.66 131.35 1za4 s GLN 143 Ca -0.12 0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.82 1za4 s GLN 143 Cb -0.17 -0.19 0.00 0.00 1.10 0.00 0.00 33.01 33.76 1za4 s GLN 143 CO 0.03 -0.24 0.00 -1.91 -0.55 0.00 0.00 175.29 172.62 1za4 n GLU 144 N 4.85 0.00 -0.42 1.67 4.07 0.24 -0.66 120.64 130.40 1za4 n GLU 144 Ca -0.14 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.04 1za4 n GLU 144 Cb 0.51 0.00 0.25 0.00 -0.06 0.00 0.00 31.44 32.14 1za4 n GLU 144 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1za4 n ASP 145 N 9.12 3.77 -4.50 4.31 5.75 -1.26 0.21 116.55 133.96 1za4 n ASP 145 Ca 0.00 -2.98 -0.34 0.00 -0.01 0.00 0.00 54.79 51.46 1za4 n ASP 145 Cb 0.00 -0.53 -0.12 0.00 -1.03 0.00 0.00 41.12 39.44 1za4 n ASP 145 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1za4 s ARG 146 N -2.76 3.68 -0.06 0.11 0.52 0.17 -0.31 118.95 120.30 1za4 s ARG 146 Ca 0.41 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 55.16 1za4 s ARG 146 Cb 0.33 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.85 1za4 s ARG 146 CO 0.09 0.23 -0.23 0.00 0.02 0.00 0.00 175.30 175.41 1za4 s ALA 147 N 0.39 2.24 -0.08 2.13 0.00 0.04 -1.23 121.76 125.24 1za4 s ALA 147 Ca -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1za4 s ALA 147 Cb -0.14 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1za4 s ALA 147 CO 0.03 0.42 -0.09 -0.65 0.00 0.00 0.00 175.76 175.47 1za4 s GLN 148 N -0.18 1.45 -0.06 0.00 -0.21 0.62 -1.64 119.66 119.63 1za4 s GLN 148 Ca -0.03 -0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.12 1za4 s GLN 148 Cb -0.14 -1.38 -0.02 0.00 1.00 0.00 0.00 33.01 32.48 1za4 s GLN 148 CO 0.04 -0.12 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.72 1za4 s LEU 149 N 1.19 2.41 -0.12 2.90 2.96 0.16 -0.29 118.68 127.89 1za4 s LEU 149 Ca -0.05 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1za4 s LEU 149 Cb -0.14 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1za4 s LEU 149 CO -0.02 0.28 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.84 1za4 s TYR 150 N -0.33 1.89 -0.35 5.38 1.51 -0.61 -0.40 117.35 124.43 1za4 s TYR 150 Ca 0.02 -0.94 -0.09 0.00 -1.01 0.00 0.00 57.07 55.06 1za4 s TYR 150 Cb -0.13 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1za4 s TYR 150 CO 0.02 -0.52 0.15 0.42 -1.11 0.00 0.00 175.55 174.51 1za4 s ILE 151 N 1.24 4.17 0.00 2.71 1.01 -1.26 -1.14 121.20 127.94 1za4 s ILE 151 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1za4 s ILE 151 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1za4 s ILE 151 CO -0.05 -0.18 0.00 0.47 0.00 0.00 0.00 174.94 175.18 1za4 n ASP 152 N 4.90 0.00 -1.95 3.58 8.00 0.98 -1.27 116.55 130.80 1za4 n ASP 152 Ca -0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 1za4 n ASP 152 Cb 0.46 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.62 1za4 n ASP 152 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1za4 n GLU 154 N -0.62 0.07 0.00 0.00 1.02 -0.40 -4.96 120.64 115.75 1za4 n GLU 154 Ca 0.25 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 1za4 n GLU 154 Cb 0.89 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 1za4 n GLU 154 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1za4 n LYS 155 N -2.35 0.68 -3.63 3.49 5.02 -1.26 -4.67 118.16 115.43 1za4 n LYS 155 Ca 0.12 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1za4 n LYS 155 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.37 1za4 n LYS 155 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1za4 s GLU 157 N 0.00 0.72 0.24 1.97 0.41 0.46 -4.63 118.70 117.87 1za4 s GLU 157 Ca 0.00 0.89 0.09 0.00 -0.41 0.00 0.00 54.97 55.54 1za4 s GLU 157 Cb 0.00 0.33 -0.05 0.00 -1.78 0.00 0.00 34.13 32.63 1za4 s GLU 157 CO 0.00 -0.09 -0.16 -0.80 -0.49 0.00 0.00 175.26 173.72 1za4 s ASN 158 N 0.47 2.95 -0.11 -0.19 -0.87 -1.26 0.40 114.94 116.32 1za4 s ASN 158 Ca -0.00 -1.04 -0.30 0.00 -1.57 0.00 0.00 52.86 49.95 1za4 s ASN 158 Cb -0.05 -0.20 0.09 0.00 -0.02 0.00 0.00 41.25 41.07 1za4 s ASN 158 CO -0.03 -0.11 0.79 0.00 -2.57 0.00 0.00 177.10 175.18 1za4 s ALA 159 N -2.81 -1.83 -0.14 0.60 0.00 -0.65 -4.71 121.76 112.22 1za4 s ALA 159 Ca 0.26 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1za4 s ALA 159 Cb -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1za4 s ALA 159 CO 0.10 -0.34 -0.05 -1.21 0.00 0.00 0.00 175.76 174.25 1za4 s GLU 160 N -0.94 3.53 0.42 0.00 2.02 -1.26 -0.78 118.70 121.69 1za4 s GLU 160 Ca -0.07 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.29 1za4 s GLU 160 Cb -0.01 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 1za4 s GLU 160 CO 0.06 0.29 0.78 -0.51 0.02 0.00 0.00 175.26 175.90 1za4 s LEU 161 N 0.21 3.77 0.26 1.80 1.43 0.58 -4.94 118.68 121.79 1za4 s LEU 161 Ca -0.03 1.09 0.26 0.00 -1.03 0.00 0.00 54.13 54.42 1za4 s LEU 161 Cb -0.14 -3.99 0.75 0.00 0.03 0.00 0.00 46.19 42.83 1za4 s LEU 161 CO 0.03 -0.45 1.75 0.44 0.23 0.00 0.00 176.35 178.35 1za4 h ASP 162 N 1.01 0.00 -5.16 2.29 3.32 -1.95 -3.46 116.42 112.47 1za4 h ASP 162 Ca -0.47 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.47 1za4 h ASP 162 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1za4 h ASP 162 CO 0.63 0.00 -0.51 0.68 -1.72 0.00 0.00 179.24 178.32 1za4 s VAL 163 N -3.14 0.16 0.52 -1.35 -7.23 -1.26 -5.14 120.40 102.97 1za4 s VAL 163 Ca 0.10 -1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 58.73 1za4 s VAL 163 Cb 0.11 -1.25 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 1za4 s VAL 163 CO 0.60 -0.74 1.09 -2.16 -0.31 0.00 0.00 175.10 173.58 1za4 s PRO 164 N -3.48 3.54 0.41 4.82 0.04 -1.26 -4.51 135.00 134.56 1za4 s PRO 164 Ca 0.02 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.63 1za4 s PRO 164 Cb 0.04 -2.04 0.85 0.00 0.04 0.00 0.00 34.50 33.39 1za4 s PRO 164 CO -0.09 -0.67 2.06 0.97 0.04 0.00 0.00 177.00 179.31 1za4 h ILE 165 N 1.34 1.11 0.00 0.56 6.09 -0.56 -1.49 117.51 124.55 1za4 h ILE 165 Ca -0.50 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1za4 h ILE 165 Cb 1.24 0.48 0.00 0.00 0.47 0.00 0.00 36.82 39.02 1za4 h ILE 165 CO 0.58 0.10 0.00 0.06 -3.07 0.00 0.00 178.15 175.82 1za4 h GLN 166 N 0.57 0.00 -0.15 2.19 -0.00 -1.85 -2.16 115.11 113.71 1za4 h GLN 166 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.77 1za4 h GLN 166 Cb -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 1za4 h GLN 166 CO -0.03 0.00 -0.07 1.03 -0.00 0.00 0.00 178.83 179.76 1za4 h SER 167 N 0.00 0.21 0.19 0.06 0.87 -1.64 -2.55 113.55 110.69 1za4 h SER 167 Ca 0.00 -0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.27 1za4 h SER 167 Cb 0.25 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1za4 h SER 167 CO 0.00 0.32 -1.15 0.58 -0.53 0.00 0.00 176.83 176.05 1za4 h VAL 168 N 0.22 1.38 0.00 2.23 2.07 -1.54 -3.39 116.25 117.22 1za4 h VAL 168 Ca 0.05 -2.60 -0.66 0.00 0.82 0.00 0.00 66.70 64.31 1za4 h VAL 168 Cb 0.27 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1za4 h VAL 168 CO 0.01 0.76 3.21 0.49 0.02 0.00 0.00 177.57 182.06 1za4 n PHE 169 N -3.93 2.81 -1.06 1.57 3.01 -0.96 -4.95 117.46 113.96 1za4 n PHE 169 Ca -0.16 -2.78 -0.30 0.00 1.01 0.00 0.00 57.45 55.22 1za4 n PHE 169 Cb 0.95 -2.36 0.15 0.00 -0.01 0.00 0.00 39.48 38.21 1za4 n PHE 169 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1za4 s THR 170 N 3.13 2.57 0.15 4.37 -1.32 -1.26 -4.81 115.64 118.47 1za4 s THR 170 Ca 0.55 0.19 -0.17 0.00 -1.21 0.00 0.00 61.69 61.04 1za4 s THR 170 Cb 0.15 -2.55 0.01 0.00 -1.51 0.00 0.00 72.50 68.60 1za4 s THR 170 CO -0.05 -0.24 1.73 0.03 -2.21 0.00 0.00 174.62 173.88 1za4 h ARG 171 N -1.68 0.18 -0.93 7.08 3.08 -1.93 -2.61 114.38 117.57 1za4 h ARG 171 Ca -0.49 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.23 1za4 h ARG 171 Cb 1.28 -0.04 -0.19 0.00 0.08 0.00 0.00 29.97 31.10 1za4 h ARG 171 CO 0.52 0.12 0.40 -0.25 -1.07 0.00 0.00 179.97 179.68 1za4 n ASP 172 N -5.08 3.81 -0.22 7.04 8.00 -1.26 -4.56 116.55 124.28 1za4 n ASP 172 Ca 0.00 -3.13 -0.06 0.00 0.71 0.00 0.00 54.79 52.31 1za4 n ASP 172 Cb 0.14 -0.74 0.04 0.00 -0.02 0.00 0.00 41.12 40.54 1za4 n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1za4 h LEU 173 N 1.45 0.74 -0.36 0.64 5.85 -1.83 -1.95 115.31 119.85 1za4 h LEU 173 Ca 0.39 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1za4 h LEU 173 Cb 2.28 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 43.12 1za4 h LEU 173 CO 0.75 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 179.43 1za4 n ALA 174 N -2.29 1.33 1.03 1.25 0.00 -1.26 -0.26 120.51 120.30 1za4 n ALA 174 Ca 0.04 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1za4 n ALA 174 Cb 0.05 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.36 1za4 n ALA 174 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1za4 n SER 175 N -1.75 1.05 0.00 0.00 3.41 -0.74 -4.35 113.62 111.24 1za4 n SER 175 Ca 0.01 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1za4 n SER 175 Cb 0.10 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1za4 n SER 175 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1za4 n ILE 176 N -1.15 0.00 -4.07 -1.33 -5.35 -0.51 -4.98 119.36 101.97 1za4 n ILE 176 Ca 0.06 -0.34 -0.09 0.00 -0.27 0.00 0.00 62.75 62.11 1za4 n ILE 176 Cb 0.36 1.04 -0.09 0.00 -1.74 0.00 0.00 39.64 39.21 1za4 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1za4 s ALA 177 N -0.60 0.50 0.01 -1.28 0.00 0.64 -0.95 121.76 120.07 1za4 s ALA 177 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1za4 s ALA 177 Cb 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1za4 s ALA 177 CO 0.00 -0.52 0.00 -0.98 0.00 0.00 0.00 175.76 174.26 1za4 s ARG 178 N -4.00 0.17 -0.14 0.00 1.70 -0.22 -4.43 118.95 112.03 1za4 s ARG 178 Ca 0.19 -0.28 -0.26 0.00 -0.47 0.00 0.00 55.73 54.91 1za4 s ARG 178 Cb 0.06 0.06 -0.02 0.00 -0.57 0.00 0.00 34.95 34.49 1za4 s ARG 178 CO -0.01 -0.03 0.85 -1.17 -1.08 0.00 0.00 175.30 173.86 1za4 s LEU 179 N -0.70 4.21 0.03 -1.89 2.96 -1.26 -1.51 118.68 120.52 1za4 s LEU 179 Ca -0.08 1.25 0.09 0.00 -0.22 0.00 0.00 54.13 55.17 1za4 s LEU 179 Cb -0.05 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1za4 s LEU 179 CO -0.00 -0.36 -0.26 -0.13 -1.32 0.00 0.00 176.35 174.28 1za4 s ARG 180 N 1.90 1.84 -0.03 1.98 1.81 0.08 -1.69 118.95 124.84 1za4 s ARG 180 Ca 0.40 -1.06 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1za4 s ARG 180 Cb -0.17 -1.96 -0.03 0.00 -0.45 0.00 0.00 34.95 32.34 1za4 s ARG 180 CO 0.15 0.51 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.74 1za4 s ILE 181 N -0.76 3.91 0.00 1.52 2.07 -1.26 -1.68 121.20 125.01 1za4 s ILE 181 Ca 0.11 -0.58 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1za4 s ILE 181 Cb -0.10 -2.69 0.00 0.00 0.13 0.00 0.00 42.46 39.81 1za4 s ILE 181 CO 0.01 0.46 0.00 0.00 -1.91 0.00 0.00 174.94 173.51 1za4 n ALA 182 N 1.74 0.00 -3.46 1.50 0.00 -0.59 -4.94 120.51 114.75 1za4 n ALA 182 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 1za4 n ALA 182 Cb 0.53 -0.74 -0.17 0.00 0.00 0.00 0.00 19.45 19.07 1za4 n ALA 182 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1za4 s LYS 183 N -0.74 2.82 0.00 0.00 2.20 -1.26 -0.16 119.74 122.60 1za4 s LYS 183 Ca 0.00 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1za4 s LYS 183 Cb 0.00 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1za4 s LYS 183 CO 0.00 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1za4 n GLY 184 N 3.84 4.93 3.31 5.54 0.00 -1.26 -4.42 105.19 117.13 1za4 n GLY 184 Ca -0.20 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1za4 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1za4 n GLY 185 N 0.46 -2.59 0.36 -0.02 0.00 -1.26 -4.78 105.19 97.36 1za4 n GLY 185 Ca 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 1za4 n GLY 185 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1za4 h VAL 186 N -2.67 0.14 -0.66 1.61 2.07 -2.03 -1.73 116.25 112.99 1za4 h VAL 186 Ca -0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1za4 h VAL 186 Cb 1.29 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1za4 h VAL 186 CO 0.39 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.57 1za4 n ASN 187 N -5.43 4.21 -1.47 0.57 5.03 -1.26 -4.56 115.26 112.35 1za4 n ASN 187 Ca 0.03 -2.24 0.07 0.00 0.87 0.00 0.00 54.58 53.31 1za4 n ASN 187 Cb 0.35 -0.52 0.34 0.00 -1.02 0.00 0.00 39.78 38.93 1za4 n ASN 187 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1za4 n ASP 188 N 1.28 4.91 -4.76 6.41 8.00 -0.65 -4.81 116.55 126.93 1za4 n ASP 188 Ca 0.24 -2.99 -0.41 0.00 0.71 0.00 0.00 54.79 52.34 1za4 n ASP 188 Cb 0.74 -0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1za4 n ASP 188 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1za4 s ASN 189 N -1.30 6.74 0.19 -2.24 -0.87 -1.26 -0.09 114.94 116.12 1za4 s ASN 189 Ca 0.49 2.68 -0.32 0.00 -1.57 0.00 0.00 52.86 54.15 1za4 s ASN 189 Cb 0.39 -2.64 -0.11 0.00 -0.02 0.00 0.00 41.25 38.87 1za4 s ASN 189 CO 0.13 -0.58 1.62 0.12 -2.57 0.00 0.00 177.10 175.82 1za4 s PHE 190 N -0.86 2.99 -0.37 2.20 5.36 0.77 -4.54 117.98 123.53 1za4 s PHE 190 Ca 0.51 0.56 -0.06 0.00 -0.96 0.00 0.00 56.93 56.98 1za4 s PHE 190 Cb -0.40 -4.01 0.06 0.00 -0.34 0.00 0.00 43.02 38.34 1za4 s PHE 190 CO 0.51 -3.71 0.15 -0.65 -1.46 0.00 0.00 175.22 170.06 1za4 s GLN 191 N 0.97 2.49 0.00 10.12 -0.21 -1.26 -4.80 119.66 126.97 1za4 s GLN 191 Ca 0.71 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1za4 s GLN 191 Cb -0.46 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1za4 s GLN 191 CO 0.33 -0.81 0.00 0.41 -2.12 0.00 0.00 175.29 173.10 1za4 n GLY 192 N 4.78 0.37 3.24 3.09 0.00 -1.26 -4.49 105.19 110.92 1za4 n GLY 192 Ca -0.10 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 1za4 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1za4 s VAL 193 N -4.00 1.69 0.17 1.61 1.01 0.46 -1.05 120.40 120.29 1za4 s VAL 193 Ca 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.05 1za4 s VAL 193 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1za4 s VAL 193 CO 0.00 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.53 1za4 s LEU 194 N -0.75 2.43 -0.24 3.92 1.43 -0.57 -0.91 118.68 123.99 1za4 s LEU 194 Ca 0.08 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.14 1za4 s LEU 194 Cb -0.08 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.30 1za4 s LEU 194 CO 0.00 0.00 0.62 -1.58 0.23 0.00 0.00 176.35 175.62 1za4 s GLN 195 N -2.73 0.68 -1.27 1.70 0.74 -0.52 -1.12 119.66 117.15 1za4 s GLN 195 Ca 0.16 0.96 -0.08 0.00 0.05 0.00 0.00 55.36 56.45 1za4 s GLN 195 Cb -0.06 0.25 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 1za4 s GLN 195 CO 0.07 -0.11 0.65 0.09 -0.55 0.00 0.00 175.29 175.44 1za4 n ASN 196 N 3.37 -2.65 -4.56 6.67 5.03 -1.26 -1.62 115.26 120.25 1za4 n ASN 196 Ca -0.17 -0.95 -0.43 0.00 0.87 0.00 0.00 54.58 53.90 1za4 n ASN 196 Cb 0.57 -3.52 -0.03 0.00 -1.02 0.00 0.00 39.78 35.77 1za4 n ASN 196 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1za4 s VAL 197 N -3.68 4.29 0.03 2.41 1.01 -1.26 -3.79 120.40 119.42 1za4 s VAL 197 Ca 0.20 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1za4 s VAL 197 Cb -0.07 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1za4 s VAL 197 CO 0.85 -1.07 -0.05 -0.13 0.00 0.00 0.00 175.10 174.71 1za4 s ARG 198 N 4.23 0.42 -0.23 2.72 0.52 0.28 -1.88 118.95 125.01 1za4 s ARG 198 Ca 0.39 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.80 1za4 s ARG 198 Cb -0.10 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 1za4 s ARG 198 CO 0.25 -0.02 0.09 -0.06 0.02 0.00 0.00 175.30 175.59 1za4 s PHE 199 N -1.63 3.18 -0.10 -0.53 0.40 -0.20 -0.36 117.98 118.74 1za4 s PHE 199 Ca -0.12 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1za4 s PHE 199 Cb -0.09 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 1za4 s PHE 199 CO -0.01 -0.11 -0.20 0.08 0.70 0.00 0.00 175.22 175.68 1za4 s VAL 200 N 1.13 2.46 0.19 -0.44 1.01 0.13 0.12 120.40 125.00 1za4 s VAL 200 Ca 0.05 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.24 1za4 s VAL 200 Cb -0.14 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1za4 s VAL 200 CO 0.04 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.12 1za4 s PHE 201 N 0.16 2.11 -0.53 5.22 0.40 0.10 -3.04 117.98 122.40 1za4 s PHE 201 Ca -0.11 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1za4 s PHE 201 Cb -0.16 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1za4 s PHE 201 CO 0.06 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.85 1za4 n GLY 202 N 0.17 0.76 3.17 4.36 0.00 -1.26 -4.80 105.19 107.59 1za4 n GLY 202 Ca -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1za4 n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za4 s THR 203 N -2.16 0.27 0.27 2.61 2.01 -1.26 -5.17 115.64 112.20 1za4 s THR 203 Ca 0.00 -1.92 0.11 0.00 0.31 0.00 0.00 61.69 60.19 1za4 s THR 203 Cb 0.00 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1za4 s THR 203 CO 0.00 -0.52 -0.14 0.42 -0.69 0.00 0.00 174.62 173.69 1za4 s THR 204 N -3.93 2.77 0.41 -0.82 -4.23 -1.26 -4.94 115.64 103.65 1za4 s THR 204 Ca 0.22 -2.22 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1za4 s THR 204 Cb 0.07 -2.45 0.31 0.00 1.34 0.00 0.00 72.50 71.77 1za4 s THR 204 CO 0.01 -0.36 2.09 1.55 -0.54 0.00 0.00 174.62 177.36 1za4 h PRO 205 N 2.25 0.00 0.22 3.99 0.13 -1.99 -2.81 132.00 133.78 1za4 h PRO 205 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1za4 h PRO 205 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1za4 h PRO 205 CO 0.59 0.10 -0.11 0.93 -0.23 0.00 0.00 178.00 179.29 1za4 h GLU 206 N 0.00 -0.29 -0.68 0.86 4.39 -2.00 -1.51 114.58 115.35 1za4 h GLU 206 Ca -0.00 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1za4 h GLU 206 Cb 0.32 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1za4 h GLU 206 CO 0.01 -0.12 0.27 -0.44 -1.16 0.00 0.00 179.01 177.57 1za4 h ASP 207 N -0.38 0.94 -0.03 1.42 3.32 -1.92 -2.73 116.42 117.03 1za4 h ASP 207 Ca -0.03 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1za4 h ASP 207 Cb 0.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1za4 h ASP 207 CO 0.05 0.85 -0.17 0.40 -1.72 0.00 0.00 179.24 178.66 1za4 h ILE 208 N 0.97 1.22 -0.33 0.35 2.04 -1.42 -2.32 117.51 118.02 1za4 h ILE 208 Ca 0.23 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1za4 h ILE 208 Cb 0.21 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1za4 h ILE 208 CO -0.02 0.32 -0.23 -0.07 0.00 0.00 0.00 178.15 178.16 1za4 h LEU 209 N 0.35 0.65 -0.10 1.44 3.38 -0.98 -2.15 115.31 117.91 1za4 h LEU 209 Ca 0.06 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1za4 h LEU 209 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1za4 h LEU 209 CO 0.03 0.86 -0.33 0.03 0.09 0.00 0.00 178.44 179.13 1za4 h ARG 210 N 0.57 0.39 0.00 1.13 3.08 -1.31 -1.79 114.38 116.45 1za4 h ARG 210 Ca 0.08 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1za4 h ARG 210 Cb 0.69 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1za4 h ARG 210 CO 0.05 0.92 0.00 -0.91 -1.07 0.00 0.00 179.97 178.96 1za4 h ASN 211 N -0.05 0.00 1.03 7.04 2.35 -1.35 -0.30 115.58 124.30 1za4 h ASN 211 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1za4 h ASN 211 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1za4 h ASN 211 CO 0.07 0.00 -0.52 0.11 -1.65 0.00 0.00 177.43 175.44 1za4 h LYS 212 N 0.00 0.00 0.00 0.81 1.79 -1.26 -3.48 116.57 114.43 1za4 h LYS 212 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1za4 h LYS 212 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1za4 h LYS 212 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1za4 n GLY 213 N 1.31 0.75 3.06 3.86 0.00 -0.12 -5.10 105.19 108.95 1za4 n GLY 213 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1za4 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32