#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slu n ALA 11 N 0.00 0.00 0.30 -1.39 0.00 -1.26 -4.95 120.51 113.21 1slu n ALA 11 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1slu n ALA 11 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1slu n ALA 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1slu h PRO 12 N 0.00 0.00 -6.58 0.00 0.11 -2.05 -3.46 132.00 120.03 1slu h PRO 12 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.54 1slu h PRO 12 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.18 1slu h PRO 12 CO 0.00 0.00 0.78 0.66 -0.21 0.00 0.00 178.00 179.23 1slu n TYR 13 N -2.55 2.36 -0.95 0.65 4.01 -1.26 -4.98 117.16 114.44 1slu n TYR 13 Ca 0.02 0.28 -0.29 0.00 -0.16 0.00 0.00 57.90 57.76 1slu n TYR 13 Cb 0.50 -2.54 0.19 0.00 -0.31 0.00 0.00 39.34 37.18 1slu n TYR 13 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1slu s PRO 14 N 0.44 0.21 0.29 -0.72 0.04 -1.26 -5.00 135.00 129.00 1slu s PRO 14 Ca 0.74 0.74 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1slu s PRO 14 Cb -0.63 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1slu s PRO 14 CO 0.41 -2.94 0.44 -0.65 0.04 0.00 0.00 177.00 174.30 1slu s GLN 15 N -4.78 3.43 0.14 4.56 -0.21 -1.26 -5.04 119.66 116.49 1slu s GLN 15 Ca 0.66 -0.62 -0.31 0.00 0.02 0.00 0.00 55.36 55.11 1slu s GLN 15 Cb -0.21 -2.80 -0.08 0.00 1.00 0.00 0.00 33.01 30.92 1slu s GLN 15 CO 0.60 0.30 1.37 0.00 -2.12 0.00 0.00 175.29 175.44 1slu s ALA 16 N -2.12 3.57 1.23 6.09 0.00 -1.26 -5.03 121.76 124.25 1slu s ALA 16 Ca 0.37 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.32 1slu s ALA 16 Cb -0.09 -3.52 0.20 0.00 0.00 0.00 0.00 23.12 19.71 1slu s ALA 16 CO 0.32 -0.60 0.53 0.39 0.00 0.00 0.00 175.76 176.40 1slu n GLU 17 N 3.60 -3.18 -2.04 0.00 1.02 -1.26 -4.83 120.64 113.94 1slu n GLU 17 Ca 0.10 -0.87 -0.42 0.00 -0.02 0.00 0.00 57.16 55.94 1slu n GLU 17 Cb 0.42 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.80 1slu n GLU 17 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1slu s LYS 18 N -4.24 4.20 0.00 3.49 -2.85 -1.26 -2.45 119.74 116.62 1slu s LYS 18 Ca 0.38 2.16 0.00 0.00 -1.00 0.00 0.00 55.97 57.51 1slu s LYS 18 Cb -0.06 -3.87 0.00 0.00 -2.06 0.00 0.00 37.83 31.85 1slu s LYS 18 CO 0.31 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.38 1slu n GLY 19 N 4.03 1.66 3.83 0.59 0.00 -1.26 -5.05 105.19 108.98 1slu n GLY 19 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1slu n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1slu s MET 20 N -0.89 2.27 0.00 1.61 1.00 -1.03 -1.28 119.30 120.98 1slu s MET 20 Ca 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 55.69 53.63 1slu s MET 20 Cb 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 34.83 32.83 1slu s MET 20 CO 0.00 -0.38 0.20 -1.59 0.00 0.00 0.00 175.02 173.25 1slu s LYS 21 N -4.09 0.57 -0.17 2.03 -2.85 -0.15 -4.64 119.74 110.44 1slu s LYS 21 Ca 0.34 -0.38 -0.14 0.00 -1.00 0.00 0.00 55.97 54.79 1slu s LYS 21 Cb 0.00 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 1slu s LYS 21 CO 0.20 -0.15 0.30 0.50 0.10 0.00 0.00 175.35 176.30 1slu s ARG 22 N -1.54 4.23 -0.02 1.78 3.52 -1.26 -2.27 118.95 123.39 1slu s ARG 22 Ca -0.13 0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.62 1slu s ARG 22 Cb -0.06 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1slu s ARG 22 CO 0.02 0.18 -0.23 -0.65 -0.81 0.00 0.00 175.30 173.80 1slu s GLN 23 N 0.66 1.96 -0.00 5.12 -0.21 0.45 -4.99 119.66 122.64 1slu s GLN 23 Ca 0.16 -0.84 0.05 0.00 0.02 0.00 0.00 55.36 54.76 1slu s GLN 23 Cb -0.13 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.00 1slu s GLN 23 CO 0.04 0.49 -0.17 0.08 -2.12 0.00 0.00 175.29 173.62 1slu s VAL 24 N -0.50 1.31 -0.10 1.09 1.01 -1.26 -0.41 120.40 121.55 1slu s VAL 24 Ca 0.08 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1slu s VAL 24 Cb -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1slu s VAL 24 CO -0.00 0.32 -0.23 -0.63 0.00 0.00 0.00 175.10 174.56 1slu s ILE 25 N -0.46 1.97 -0.24 2.22 1.01 0.11 -4.94 121.20 120.86 1slu s ILE 25 Ca 0.06 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1slu s ILE 25 Cb -0.07 -1.70 0.06 0.00 0.01 0.00 0.00 42.46 40.76 1slu s ILE 25 CO -0.00 0.54 -0.08 -1.58 0.00 0.00 0.00 174.94 173.81 1slu s GLN 26 N 0.36 1.94 0.35 2.79 0.74 -1.26 -0.08 119.66 124.50 1slu s GLN 26 Ca -0.18 -1.10 -0.21 0.00 0.05 0.00 0.00 55.36 53.92 1slu s GLN 26 Cb -0.18 -2.68 -0.10 0.00 1.10 0.00 0.00 33.01 31.16 1slu s GLN 26 CO 0.08 -0.55 0.88 -0.51 -0.55 0.00 0.00 175.29 174.64 1slu s LEU 27 N 1.28 4.13 0.01 3.68 1.43 -1.26 -5.05 118.68 122.90 1slu s LEU 27 Ca -0.06 1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 54.39 1slu s LEU 27 Cb -0.19 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1slu s LEU 27 CO -0.06 -0.20 0.86 -0.89 0.23 0.00 0.00 176.35 176.29 1slu s THR 28 N -1.90 4.84 0.35 5.49 2.01 -1.26 -4.67 115.64 120.51 1slu s THR 28 Ca 0.55 1.81 -0.29 0.00 0.31 0.00 0.00 61.69 64.07 1slu s THR 28 Cb -0.13 -4.20 -0.11 0.00 0.01 0.00 0.00 72.50 68.07 1slu s THR 28 CO 0.18 0.25 1.48 -2.84 -0.69 0.00 0.00 174.62 173.00 1slu s PRO 29 N 0.61 4.15 0.34 4.92 0.02 -1.26 -4.87 135.00 138.92 1slu s PRO 29 Ca 0.45 2.52 0.08 0.00 0.02 0.00 0.00 61.00 64.07 1slu s PRO 29 Cb -0.20 -3.00 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 1slu s PRO 29 CO 0.25 -0.51 -0.05 -0.65 -0.33 0.00 0.00 177.00 175.71 1slu s GLN 30 N -1.69 1.78 0.26 5.54 -1.52 -1.26 -5.05 119.66 117.72 1slu s GLN 30 Ca 0.55 -1.94 -0.05 0.00 -1.95 0.00 0.00 55.36 51.97 1slu s GLN 30 Cb -0.46 -1.49 0.31 0.00 -0.22 0.00 0.00 33.01 31.16 1slu s GLN 30 CO 0.58 0.04 1.93 0.93 -0.25 0.00 0.00 175.29 178.53 1slu h GLU 31 N 2.03 1.24 -2.16 2.91 5.08 -2.06 -3.38 114.58 118.24 1slu h GLU 31 Ca -0.42 -0.09 -0.42 0.00 -1.00 0.00 0.00 59.36 57.44 1slu h GLU 31 Cb 1.24 -0.27 -0.34 0.00 0.50 0.00 0.00 28.75 29.88 1slu h GLU 31 CO 0.72 0.83 -0.72 0.34 -1.00 0.00 0.00 179.01 179.18 1slu s ASP 32 N -6.20 1.75 0.00 1.42 2.15 -1.26 -4.99 116.67 109.54 1slu s ASP 32 Ca -0.12 -1.58 0.01 0.00 0.43 0.00 0.00 52.55 51.29 1slu s ASP 32 Cb 0.18 0.30 0.08 0.00 -0.30 0.00 0.00 42.92 43.17 1slu s ASP 32 CO 0.81 -0.30 0.70 -0.62 -0.17 0.00 0.00 175.17 175.59 1slu n GLU 33 N 4.40 0.64 0.09 4.34 1.02 -1.26 -2.85 120.64 127.02 1slu n GLU 33 Ca 0.09 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.04 1slu n GLU 33 Cb 0.43 -1.03 -0.14 0.00 -0.02 0.00 0.00 31.44 30.68 1slu n GLU 33 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1slu h SER 34 N 0.00 0.49 -0.71 1.62 0.02 -1.94 -3.29 113.55 109.74 1slu h SER 34 Ca 0.00 -0.59 -0.47 0.00 -0.84 0.00 0.00 61.79 59.89 1slu h SER 34 Cb 0.00 -0.16 -0.21 0.00 0.14 0.00 0.00 62.40 62.17 1slu h SER 34 CO 0.00 1.48 0.60 0.35 -1.14 0.00 0.00 176.83 178.12 1slu n THR 35 N -3.53 3.08 -3.86 -2.27 -2.24 -1.13 -4.89 114.28 99.43 1slu n THR 35 Ca -0.14 -2.10 -0.11 0.00 -2.27 0.00 0.00 64.05 59.43 1slu n THR 35 Cb 1.05 -1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 1slu n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1slu s LEU 36 N -2.66 1.52 0.17 3.22 1.43 -1.24 -1.18 118.68 119.93 1slu s LEU 36 Ca 0.45 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1slu s LEU 36 Cb 0.36 0.68 -0.03 0.00 0.03 0.00 0.00 46.19 47.23 1slu s LEU 36 CO 0.01 -0.35 0.19 -0.54 0.23 0.00 0.00 176.35 175.89 1slu s LYS 37 N -1.26 1.12 -0.07 1.70 1.02 -0.83 -3.45 119.74 117.98 1slu s LYS 37 Ca -0.13 -1.38 0.02 0.00 0.02 0.00 0.00 55.97 54.50 1slu s LYS 37 Cb -0.07 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.57 1slu s LYS 37 CO 0.02 -0.38 -0.10 0.08 -0.92 0.00 0.00 175.35 174.04 1slu s VAL 38 N -4.04 1.00 -0.24 3.17 1.01 0.31 -1.46 120.40 120.15 1slu s VAL 38 Ca 0.25 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1slu s VAL 38 Cb 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1slu s VAL 38 CO 0.04 0.33 0.07 -0.70 0.00 0.00 0.00 175.10 174.84 1slu s GLU 39 N 0.82 3.68 -0.02 2.72 2.12 0.56 0.27 118.70 128.84 1slu s GLU 39 Ca -0.12 -0.47 -0.27 0.00 0.36 0.00 0.00 54.97 54.48 1slu s GLU 39 Cb -0.15 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1slu s GLU 39 CO 0.02 -0.14 0.83 -0.51 -0.54 0.00 0.00 175.26 174.92 1slu s LEU 40 N 1.49 4.35 -0.46 2.70 1.43 -0.22 -1.24 118.68 126.73 1slu s LEU 40 Ca 0.06 1.43 -0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1slu s LEU 40 Cb -0.15 -3.32 0.12 0.00 0.03 0.00 0.00 46.19 42.88 1slu s LEU 40 CO 0.03 -0.17 0.23 -0.76 0.23 0.00 0.00 176.35 175.91 1slu s LEU 41 N 0.81 4.99 -0.22 1.79 1.43 0.77 -4.93 118.68 123.32 1slu s LEU 41 Ca 0.44 -2.39 -0.09 0.00 -1.03 0.00 0.00 54.13 51.07 1slu s LEU 41 Cb -0.19 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1slu s LEU 41 CO 0.23 -0.42 0.10 -0.63 0.23 0.00 0.00 176.35 175.86 1slu s ILE 42 N 0.60 4.86 0.00 -0.59 1.01 -1.26 -0.14 121.20 125.68 1slu s ILE 42 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1slu s ILE 42 Cb -0.22 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1slu s ILE 42 CO -0.04 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1slu n GLY 43 N 4.24 1.36 3.06 6.18 0.00 -0.44 -0.34 105.19 119.25 1slu n GLY 43 Ca -0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 1slu n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1slu s GLN 44 N 1.44 0.54 -0.42 1.61 -0.21 -0.80 -0.11 119.66 121.70 1slu s GLN 44 Ca 0.00 -1.07 -0.17 0.00 0.02 0.00 0.00 55.36 54.14 1slu s GLN 44 Cb 0.00 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.22 1slu s GLN 44 CO 0.00 -0.10 0.40 0.99 -2.12 0.00 0.00 175.29 174.46 1slu s THR 45 N -3.32 5.14 0.35 -0.19 2.01 -1.26 0.66 115.64 119.03 1slu s THR 45 Ca 0.01 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1slu s THR 45 Cb 0.04 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1slu s THR 45 CO -0.08 -0.39 -0.00 -0.76 -0.69 0.00 0.00 174.62 172.70 1slu s LEU 46 N 2.00 2.59 -0.28 4.42 1.43 -0.42 -4.90 118.68 123.52 1slu s LEU 46 Ca 0.10 -1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 51.78 1slu s LEU 46 Cb -0.18 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1slu s LEU 46 CO 0.13 -0.44 0.17 -1.61 0.23 0.00 0.00 176.35 174.83 1slu s GLU 47 N -3.75 3.92 0.18 1.70 2.02 -1.26 -0.36 118.70 121.15 1slu s GLU 47 Ca 0.34 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 55.02 1slu s GLU 47 Cb 0.07 -3.62 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 1slu s GLU 47 CO 0.16 -0.17 -0.02 0.14 0.02 0.00 0.00 175.26 175.39 1slu s VAL 48 N 1.72 0.85 0.32 2.63 -7.23 0.41 -4.91 120.40 114.20 1slu s VAL 48 Ca 0.07 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1slu s VAL 48 Cb -0.16 -2.13 0.06 0.00 0.56 0.00 0.00 36.38 34.72 1slu s VAL 48 CO 0.10 -0.49 0.45 -0.90 -0.31 0.00 0.00 175.10 173.95 1slu n ASP 49 N -0.28 0.65 0.09 4.85 5.68 -1.26 -0.98 116.55 125.30 1slu n ASP 49 Ca -0.07 -1.54 0.05 0.00 -0.50 0.00 0.00 54.79 52.74 1slu n ASP 49 Cb 0.63 -0.28 0.27 0.00 -1.14 0.00 0.00 41.12 40.60 1slu n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1slu s ASN 51 N -3.35 5.26 -0.37 0.00 0.01 -1.26 -5.00 114.94 110.23 1slu s ASN 51 Ca -0.01 1.55 -0.28 0.00 -0.71 0.00 0.00 52.86 53.41 1slu s ASN 51 Cb 0.03 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.30 1slu s ASN 51 CO 0.09 -1.51 1.04 -0.76 -1.51 0.00 0.00 177.10 174.45 1slu s LEU 52 N -5.57 3.89 -0.13 0.60 1.43 -1.26 -4.91 118.68 112.72 1slu s LEU 52 Ca 0.58 0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1slu s LEU 52 Cb -0.14 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1slu s LEU 52 CO 0.55 -0.95 -0.04 -1.00 0.23 0.00 0.00 176.35 175.13 1slu s HIS 53 N 3.77 3.01 -0.04 0.29 3.76 -1.26 -2.93 115.29 121.89 1slu s HIS 53 Ca 0.44 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 1slu s HIS 53 Cb -0.11 -1.89 0.02 0.00 1.11 0.00 0.00 32.58 31.71 1slu s HIS 53 CO 0.20 0.08 -0.06 -0.98 -0.85 0.00 0.00 174.74 173.13 1slu s ARG 54 N 0.01 0.96 0.64 1.40 1.70 -0.77 -4.72 118.95 118.17 1slu s ARG 54 Ca 0.00 -0.17 -0.11 0.00 -0.47 0.00 0.00 55.73 54.98 1slu s ARG 54 Cb -0.13 -0.91 -0.03 0.00 -0.57 0.00 0.00 34.95 33.31 1slu s ARG 54 CO 0.03 -0.05 1.04 -1.17 -1.08 0.00 0.00 175.30 174.07 1slu s LEU 55 N 0.80 3.23 0.32 -1.89 2.96 -0.91 -1.41 118.68 121.78 1slu s LEU 55 Ca -0.12 1.49 0.07 0.00 -0.22 0.00 0.00 54.13 55.36 1slu s LEU 55 Cb -0.14 -4.48 -0.03 0.00 0.50 0.00 0.00 46.19 42.04 1slu s LEU 55 CO 0.01 -1.03 0.30 -0.83 -1.32 0.00 0.00 176.35 173.48 1slu s GLY 56 N -3.99 1.71 0.00 7.98 0.00 -1.09 -4.07 107.32 107.86 1slu s GLY 56 Ca 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1slu s GLY 56 CO 0.53 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.70 1slu n GLY 57 N -1.38 3.94 3.06 0.20 0.00 -1.24 -3.19 105.19 106.59 1slu n GLY 57 Ca -0.02 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 1slu n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1slu s LYS 58 N -2.65 0.76 -0.15 1.61 2.20 -0.30 -4.86 119.74 116.36 1slu s LYS 58 Ca 0.00 -0.51 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 1slu s LYS 58 Cb 0.00 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.56 1slu s LYS 58 CO 0.00 0.19 0.09 -1.17 -0.36 0.00 0.00 175.35 174.10 1slu s LEU 59 N -0.67 4.03 -0.00 5.43 2.96 -1.26 -1.30 118.68 127.86 1slu s LEU 59 Ca 0.01 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1slu s LEU 59 Cb -0.06 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1slu s LEU 59 CO 0.00 0.28 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.38 1slu s GLU 60 N -0.24 1.82 -0.19 1.98 2.12 -0.52 -4.97 118.70 118.70 1slu s GLU 60 Ca 0.09 -0.87 -0.13 0.00 0.36 0.00 0.00 54.97 54.42 1slu s GLU 60 Cb -0.12 -1.80 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 1slu s GLU 60 CO 0.01 0.49 0.25 1.21 -0.54 0.00 0.00 175.26 176.68 1slu s ASN 61 N -0.68 6.32 0.03 -1.70 3.84 -1.26 -1.05 114.94 120.43 1slu s ASN 61 Ca 0.09 0.36 0.05 0.00 0.21 0.00 0.00 52.86 53.58 1slu s ASN 61 Cb -0.09 -2.16 -0.02 0.00 -0.55 0.00 0.00 41.25 38.43 1slu s ASN 61 CO -0.00 0.07 -0.15 -0.54 -2.79 0.00 0.00 177.10 173.69 1slu s LYS 62 N 0.76 1.04 -0.17 0.43 1.02 -0.28 -5.00 119.74 117.54 1slu s LYS 62 Ca 0.13 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.32 1slu s LYS 62 Cb -0.13 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.08 1slu s LYS 62 CO 0.04 0.27 0.05 0.95 -0.92 0.00 0.00 175.35 175.74 1slu s THR 63 N -0.75 4.71 -0.28 2.17 -4.23 -1.26 -1.06 115.64 114.95 1slu s THR 63 Ca 0.03 -0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 1slu s THR 63 Cb -0.08 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1slu s THR 63 CO 0.01 0.49 1.51 -0.22 -0.54 0.00 0.00 174.62 175.87 1slu s LEU 64 N 0.17 3.82 0.45 4.79 2.96 0.12 -4.93 118.68 126.07 1slu s LEU 64 Ca 0.04 1.37 -0.25 0.00 -0.22 0.00 0.00 54.13 55.07 1slu s LEU 64 Cb -0.12 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1slu s LEU 64 CO 0.01 -1.26 1.43 -0.70 -1.32 0.00 0.00 176.35 174.50 1slu s GLU 65 N 4.63 3.68 0.00 1.98 2.12 -1.26 -1.85 118.70 128.00 1slu s GLU 65 Ca 0.66 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1slu s GLU 65 Cb -0.21 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.53 1slu s GLU 65 CO 0.28 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 1slu n GLY 66 N 0.58 0.79 0.00 -1.50 0.00 -1.26 -4.70 105.19 99.09 1slu n GLY 66 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1slu n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1slu n TRP 67 N -2.01 0.00 -1.73 1.61 7.02 -1.03 -5.03 117.44 116.27 1slu n TRP 67 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1slu n TRP 67 Cb 0.00 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.88 1slu n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1slu n GLY 68 N 2.41 0.38 3.93 6.99 0.00 -0.77 -5.04 105.19 113.08 1slu n GLY 68 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 1slu n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1slu s TYR 69 N -2.16 3.49 0.03 1.61 1.51 -1.24 -4.91 117.35 115.67 1slu s TYR 69 Ca 0.00 0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 1slu s TYR 69 Cb 0.00 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1slu s TYR 69 CO 0.00 0.45 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.37 1slu s ASP 70 N -3.16 5.03 0.07 2.29 1.01 -1.26 0.16 116.67 120.81 1slu s ASP 70 Ca 0.37 -0.08 -0.07 0.00 0.71 0.00 0.00 52.55 53.48 1slu s ASP 70 Cb -0.11 -1.26 -0.01 0.00 1.01 0.00 0.00 42.92 42.55 1slu s ASP 70 CO 0.29 0.25 0.13 -0.72 0.21 0.00 0.00 175.17 175.33 1slu s TYR 71 N -1.15 0.23 -0.03 4.23 -0.85 -0.22 -4.66 117.35 114.89 1slu s TYR 71 Ca 0.21 -0.65 0.06 0.00 -0.52 0.00 0.00 57.07 56.17 1slu s TYR 71 Cb -0.12 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.08 1slu s TYR 71 CO 0.13 -0.48 -0.22 0.71 -1.52 0.00 0.00 175.55 174.17 1slu s TYR 72 N -3.63 2.03 -0.28 -3.49 1.51 0.10 -1.12 117.35 112.46 1slu s TYR 72 Ca 0.03 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1slu s TYR 72 Cb 0.04 -1.32 0.07 0.00 -0.11 0.00 0.00 41.96 40.64 1slu s TYR 72 CO -0.10 -0.11 -0.06 0.08 -1.11 0.00 0.00 175.55 174.25 1slu s VAL 73 N -0.30 2.18 -0.22 0.71 1.01 -0.22 -0.05 120.40 123.51 1slu s VAL 73 Ca 0.03 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.01 1slu s VAL 73 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1slu s VAL 73 CO 0.01 -0.20 0.44 0.12 0.00 0.00 0.00 175.10 175.47 1slu s PHE 74 N 1.05 3.33 0.08 5.22 5.36 -0.03 -1.44 117.98 131.54 1slu s PHE 74 Ca -0.03 0.62 0.01 0.00 -0.96 0.00 0.00 56.93 56.56 1slu s PHE 74 Cb -0.20 -2.60 -0.00 0.00 -0.34 0.00 0.00 43.02 39.88 1slu s PHE 74 CO -0.06 -0.12 0.09 -0.40 -1.46 0.00 0.00 175.22 173.27 1slu n ASP 75 N 4.89 -0.25 -3.43 6.13 5.75 -0.42 -4.28 116.55 124.94 1slu n ASP 75 Ca -0.07 -1.47 -0.24 0.00 -0.01 0.00 0.00 54.79 53.00 1slu n ASP 75 Cb 0.51 0.50 0.06 0.00 -1.03 0.00 0.00 41.12 41.15 1slu n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1slu n LYS 76 N -0.14 -6.48 -1.96 0.11 5.02 -1.26 -1.14 118.16 112.30 1slu n LYS 76 Ca 0.01 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 1slu n LYS 76 Cb 0.14 -5.78 -0.02 0.00 -0.02 0.00 0.00 35.03 29.35 1slu n LYS 76 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1slu s VAL 77 N -3.25 2.55 0.14 -0.18 1.01 -1.26 -3.59 120.40 115.81 1slu s VAL 77 Ca 0.50 0.46 0.09 0.00 0.00 0.00 0.00 61.98 63.02 1slu s VAL 77 Cb -0.23 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1slu s VAL 77 CO 0.61 0.07 -0.21 -0.44 0.00 0.00 0.00 175.10 175.13 1slu s SER 78 N 0.46 2.77 0.64 3.32 0.01 -1.19 -4.91 113.70 114.79 1slu s SER 78 Ca 0.61 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.92 1slu s SER 78 Cb -0.43 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.62 1slu s SER 78 CO 0.43 0.05 1.27 -0.44 0.41 0.00 0.00 173.24 174.95 1slu s SER 79 N -2.27 4.73 0.50 2.44 0.01 -1.26 -2.66 113.70 115.18 1slu s SER 79 Ca 0.12 2.55 -0.21 0.00 1.31 0.00 0.00 55.95 59.72 1slu s SER 79 Cb -0.08 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 1slu s SER 79 CO 0.06 -1.92 0.84 -2.65 0.41 0.00 0.00 173.24 169.99 1slu n PRO 80 N -1.87 0.97 -4.12 12.44 -0.02 -1.26 -4.52 135.00 136.62 1slu n PRO 80 Ca 0.15 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 1slu n PRO 80 Cb 0.49 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 1slu n PRO 80 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1slu s VAL 81 N -1.45 4.11 0.15 -1.45 -7.23 -0.50 -4.92 120.40 109.11 1slu s VAL 81 Ca 0.68 -0.98 -0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1slu s VAL 81 Cb -0.50 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 1slu s VAL 81 CO 0.54 0.10 0.06 -0.44 -0.31 0.00 0.00 175.10 175.05 1slu s SER 82 N -2.39 0.38 0.50 4.85 0.01 -1.26 -1.84 113.70 113.94 1slu s SER 82 Ca 0.27 -1.24 -0.15 0.00 1.31 0.00 0.00 55.95 56.13 1slu s SER 82 Cb -0.12 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.33 1slu s SER 82 CO 0.19 -0.73 0.95 0.42 0.41 0.00 0.00 173.24 174.48 1slu s THR 83 N -4.03 4.58 -1.00 1.44 -4.23 -1.15 -5.00 115.64 106.25 1slu s THR 83 Ca 0.27 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.87 1slu s THR 83 Cb 0.07 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.46 1slu s THR 83 CO 0.04 -0.67 2.04 0.23 -0.54 0.00 0.00 174.62 175.72 1slu n MET 84 N -1.55 4.50 -3.99 3.99 0.00 -1.26 -4.74 117.12 114.08 1slu n MET 84 Ca 0.06 -4.04 -0.23 0.00 0.00 0.00 0.00 57.70 53.48 1slu n MET 84 Cb 0.54 -2.43 -0.06 0.00 0.00 0.00 0.00 33.22 31.27 1slu n MET 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1slu s MET 85 N -3.54 2.33 0.17 0.03 0.23 -1.26 -5.12 119.30 112.14 1slu s MET 85 Ca 0.46 -1.71 -0.19 0.00 -1.03 0.00 0.00 55.69 53.22 1slu s MET 85 Cb 0.26 -2.12 -0.08 0.00 -1.53 0.00 0.00 34.83 31.36 1slu s MET 85 CO -0.19 -0.09 0.66 -1.01 -2.03 0.00 0.00 175.02 172.36 1slu s HIS 86 N -2.53 3.70 0.23 3.16 3.76 -1.26 -4.89 115.29 117.46 1slu s HIS 86 Ca 0.42 1.32 0.10 0.00 -0.15 0.00 0.00 55.06 56.75 1slu s HIS 86 Cb 0.01 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 1slu s HIS 86 CO 0.24 0.43 -0.10 0.00 -0.85 0.00 0.00 174.74 174.46 1slu n PRO 88 N -0.40 1.31 0.00 0.00 -0.02 -1.26 -5.09 135.00 129.54 1slu n PRO 88 Ca -0.08 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 1slu n PRO 88 Cb 0.58 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1slu n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1slu n ASP 89 N 2.60 0.00 -3.66 2.55 10.43 -1.26 -5.18 116.55 122.03 1slu n ASP 89 Ca 0.27 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.53 1slu n ASP 89 Cb 0.60 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.48 1slu n ASP 89 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1slu s LYS 92 N 0.00 0.64 0.16 -1.24 1.02 -1.26 -5.09 119.74 113.96 1slu s LYS 92 Ca 0.00 0.97 0.05 0.00 0.02 0.00 0.00 55.97 57.01 1slu s LYS 92 Cb 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1slu s LYS 92 CO 0.00 -0.12 0.12 -1.83 -0.92 0.00 0.00 175.35 172.60 1slu s GLU 93 N 1.04 2.86 0.07 1.68 -1.05 -0.15 -4.77 118.70 118.39 1slu s GLU 93 Ca -0.06 -0.88 -0.24 0.00 -0.15 0.00 0.00 54.97 53.64 1slu s GLU 93 Cb -0.05 -2.62 -0.06 0.00 -0.44 0.00 0.00 34.13 30.95 1slu s GLU 93 CO -0.10 0.48 0.74 0.15 0.95 0.00 0.00 175.26 177.49 1slu s LYS 94 N -3.07 4.48 -0.04 -4.83 1.02 -1.26 -0.44 119.74 115.60 1slu s LYS 94 Ca 0.31 1.04 -0.17 0.00 0.02 0.00 0.00 55.97 57.17 1slu s LYS 94 Cb -0.10 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1slu s LYS 94 CO 0.23 0.39 0.37 0.21 -0.92 0.00 0.00 175.35 175.63 1slu s LYS 95 N -0.43 0.69 -0.66 1.68 2.20 0.52 -4.95 119.74 118.78 1slu s LYS 95 Ca 0.36 -0.01 -0.28 0.00 -0.36 0.00 0.00 55.97 55.68 1slu s LYS 95 Cb -0.21 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1slu s LYS 95 CO 0.23 -0.18 1.26 0.12 -0.36 0.00 0.00 175.35 176.42 1slu s PHE 96 N -1.06 2.41 -0.54 4.03 5.36 -1.26 -1.30 117.98 125.61 1slu s PHE 96 Ca -0.11 0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 55.85 1slu s PHE 96 Cb -0.04 -4.55 0.05 0.00 -0.34 0.00 0.00 43.02 38.14 1slu s PHE 96 CO 0.04 -1.86 0.81 0.08 -1.46 0.00 0.00 175.22 172.83 1slu s VAL 97 N 5.49 4.58 0.57 3.12 1.01 0.21 -4.87 120.40 130.51 1slu s VAL 97 Ca 0.40 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 1slu s VAL 97 Cb -0.08 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 1slu s VAL 97 CO 0.20 -1.02 0.92 -0.89 0.00 0.00 0.00 175.10 174.30 1slu s THR 98 N 3.41 4.43 0.08 3.92 2.01 -1.26 -1.91 115.64 126.32 1slu s THR 98 Ca 0.23 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.57 1slu s THR 98 Cb -0.16 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1slu s THR 98 CO 0.15 -0.83 0.31 0.00 -0.69 0.00 0.00 174.62 173.56 1slu s ALA 99 N -2.99 3.85 -0.75 7.40 0.00 0.54 -2.15 121.76 127.65 1slu s ALA 99 Ca 0.52 -0.61 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 1slu s ALA 99 Cb -0.11 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.99 1slu s ALA 99 CO 0.48 0.69 1.24 -0.47 0.00 0.00 0.00 175.76 177.70 1slu s TYR 100 N -1.50 2.37 -0.87 0.00 5.04 -1.26 -4.75 117.35 116.38 1slu s TYR 100 Ca 0.35 -0.20 0.27 0.00 -2.44 0.00 0.00 57.07 55.05 1slu s TYR 100 Cb -0.13 -4.58 1.01 0.00 0.35 0.00 0.00 41.96 38.61 1slu s TYR 100 CO 0.22 -1.99 1.84 1.28 -1.34 0.00 0.00 175.55 175.56 1slu n LEU 101 N 9.04 0.41 0.00 6.97 4.32 -1.26 -5.01 117.00 131.47 1slu n LEU 101 Ca 0.04 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1slu n LEU 101 Cb 0.49 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1slu n LEU 101 CO 0.69 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1slu n GLY 102 N 1.41 2.88 0.15 -0.72 0.00 -1.26 -2.42 105.19 105.23 1slu n GLY 102 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.79 1slu n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1slu h ASP 103 N 5.60 0.00 0.30 1.61 3.32 -1.99 -3.29 116.42 121.97 1slu h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1slu h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1slu h ASP 103 CO 0.00 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 1slu n ALA 104 N -2.25 1.78 0.82 3.45 0.00 -1.02 -2.82 120.51 120.48 1slu n ALA 104 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1slu n ALA 104 Cb 0.67 -1.23 0.24 0.00 0.00 0.00 0.00 19.45 19.12 1slu n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1slu n GLY 105 N -0.08 1.06 3.29 0.00 0.00 -1.24 -4.77 105.19 103.46 1slu n GLY 105 Ca 0.06 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1slu n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1slu s MET 106 N -1.77 2.70 0.24 1.61 0.00 -1.13 -1.05 119.30 119.89 1slu s MET 106 Ca 0.34 -1.51 0.05 0.00 0.00 0.00 0.00 55.69 54.57 1slu s MET 106 Cb 0.21 -3.93 -0.03 0.00 0.00 0.00 0.00 34.83 31.08 1slu s MET 106 CO 0.31 -1.04 0.36 -0.51 0.00 0.00 0.00 175.02 174.13 1slu s LEU 107 N 1.48 4.32 0.18 4.11 1.43 0.14 -4.92 118.68 125.42 1slu s LEU 107 Ca 0.04 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1slu s LEU 107 Cb -0.24 -2.87 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 1slu s LEU 107 CO 0.03 -0.07 1.06 -0.60 0.23 0.00 0.00 176.35 177.01 1slu s ARG 108 N -3.94 4.64 -0.46 1.70 3.52 -1.26 -0.53 118.95 122.62 1slu s ARG 108 Ca 0.34 1.67 -0.29 0.00 -0.13 0.00 0.00 55.73 57.32 1slu s ARG 108 Cb -0.09 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1slu s ARG 108 CO 0.29 0.15 1.38 -0.47 -0.81 0.00 0.00 175.30 175.84 1slu s TYR 109 N -0.37 2.42 -0.26 5.12 6.14 -1.22 -4.71 117.35 124.47 1slu s TYR 109 Ca 0.48 0.62 -0.03 0.00 0.64 0.00 0.00 57.07 58.78 1slu s TYR 109 Cb -0.28 -4.35 0.09 0.00 0.42 0.00 0.00 41.96 37.83 1slu s TYR 109 CO 0.34 -1.89 0.10 1.21 0.64 0.00 0.00 175.55 175.95 1slu s ASN 110 N 3.91 3.34 0.08 4.32 2.47 -1.26 -4.85 114.94 122.95 1slu s ASN 110 Ca 0.57 -1.17 0.26 0.00 0.42 0.00 0.00 52.86 52.94 1slu s ASN 110 Cb -0.12 -0.51 1.01 0.00 -1.45 0.00 0.00 41.25 40.17 1slu s ASN 110 CO 0.30 -0.39 1.80 -1.54 -3.72 0.00 0.00 177.10 173.55 1slu n SER 111 N 5.11 0.28 -0.37 -4.21 3.41 -1.26 -3.22 113.62 113.36 1slu n SER 111 Ca -0.06 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 59.06 1slu n SER 111 Cb 0.44 -0.61 0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1slu n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1slu h LYS 112 N 0.00 1.31 -6.64 4.33 1.79 -1.94 -3.43 116.57 111.99 1slu h LYS 112 Ca 0.00 -0.10 -0.65 0.00 -2.18 0.00 0.00 60.65 57.72 1slu h LYS 112 Cb 0.51 -0.28 -0.23 0.00 -1.58 0.00 0.00 32.23 30.65 1slu h LYS 112 CO 0.00 0.89 -0.86 -0.51 -1.08 0.00 0.00 179.45 177.89 1slu s LEU 113 N -10.06 2.27 0.60 2.94 1.43 -1.20 -5.14 118.68 109.52 1slu s LEU 113 Ca -0.13 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1slu s LEU 113 Cb 0.18 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1slu s LEU 113 CO 0.82 0.17 0.92 -2.16 0.23 0.00 0.00 176.35 176.33 1slu s PRO 114 N -1.78 2.93 -0.21 1.29 0.04 -1.26 -4.75 135.00 131.25 1slu s PRO 114 Ca 0.11 0.05 -0.10 0.00 0.04 0.00 0.00 61.00 61.10 1slu s PRO 114 Cb -0.10 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1slu s PRO 114 CO 0.04 -0.72 0.13 0.42 0.04 0.00 0.00 177.00 176.91 1slu s ILE 115 N -3.03 5.35 -0.21 0.56 1.01 0.89 -4.91 121.20 120.87 1slu s ILE 115 Ca 0.54 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1slu s ILE 115 Cb -0.11 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1slu s ILE 115 CO 0.46 0.41 -0.15 -0.69 0.00 0.00 0.00 174.94 174.98 1slu s VAL 116 N 0.57 2.34 -0.08 2.92 1.01 -1.26 0.08 120.40 125.97 1slu s VAL 116 Ca 0.08 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1slu s VAL 116 Cb -0.12 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1slu s VAL 116 CO 0.00 0.38 -0.21 -0.69 0.00 0.00 0.00 175.10 174.58 1slu s VAL 117 N 1.28 1.80 -0.21 2.92 1.01 0.45 -0.72 120.40 126.94 1slu s VAL 117 Ca 0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1slu s VAL 117 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1slu s VAL 117 CO -0.09 0.50 0.05 -0.31 0.00 0.00 0.00 175.10 175.25 1slu s TYR 118 N 0.36 3.15 0.17 5.22 1.51 0.93 -0.41 117.35 128.27 1slu s TYR 118 Ca -0.16 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1slu s TYR 118 Cb -0.17 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1slu s TYR 118 CO 0.07 -0.08 0.09 0.95 -1.11 0.00 0.00 175.55 175.47 1slu s THR 119 N 0.89 0.06 0.94 -0.71 -4.23 -0.96 -0.85 115.64 110.77 1slu s THR 119 Ca 0.03 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.48 1slu s THR 119 Cb -0.14 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.58 1slu s THR 119 CO 0.02 -0.22 1.14 -2.84 -0.54 0.00 0.00 174.62 172.18 1slu s PRO 120 N -4.10 0.81 0.39 3.99 0.02 -1.26 -0.97 135.00 133.87 1slu s PRO 120 Ca 0.32 1.52 0.11 0.00 0.02 0.00 0.00 61.00 62.96 1slu s PRO 120 Cb 0.07 -1.71 0.89 0.00 0.02 0.00 0.00 34.50 33.78 1slu s PRO 120 CO 0.07 -2.76 1.91 -0.44 -0.33 0.00 0.00 177.00 175.45 1slu h ASP 121 N -1.97 0.55 -0.14 2.53 3.32 -1.46 -1.99 116.42 117.26 1slu h ASP 121 Ca -0.44 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1slu h ASP 121 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1slu h ASP 121 CO 0.42 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1slu n ASN 122 N -4.51 1.29 -4.54 6.45 0.23 -1.26 -4.86 115.26 108.06 1slu n ASN 122 Ca 0.14 -1.68 -0.34 0.00 -0.53 0.00 0.00 54.58 52.18 1slu n ASN 122 Cb 0.43 -0.09 -0.11 0.00 -2.08 0.00 0.00 39.78 37.93 1slu n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1slu s VAL 123 N -1.82 4.10 0.09 3.53 1.01 -0.75 -4.75 120.40 121.81 1slu s VAL 123 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1slu s VAL 123 Cb 0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1slu s VAL 123 CO 0.24 0.50 0.26 -1.81 0.00 0.00 0.00 175.10 174.28 1slu s ASP 124 N 0.25 6.39 -0.11 3.32 1.11 0.84 -4.74 116.67 123.72 1slu s ASP 124 Ca -0.01 0.34 0.03 0.00 0.18 0.00 0.00 52.55 53.08 1slu s ASP 124 Cb -0.14 -1.99 0.01 0.00 1.07 0.00 0.00 42.92 41.88 1slu s ASP 124 CO 0.02 0.13 -0.20 -0.69 1.18 0.00 0.00 175.17 175.61 1slu s VAL 125 N -1.58 1.84 0.39 -1.27 1.01 -1.26 -1.33 120.40 118.20 1slu s VAL 125 Ca 0.36 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1slu s VAL 125 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1slu s VAL 125 CO 0.27 0.51 0.11 -0.54 0.00 0.00 0.00 175.10 175.45 1slu s LYS 126 N 0.63 1.87 0.17 2.72 1.02 0.80 -4.98 119.74 121.97 1slu s LYS 126 Ca -0.13 -2.12 -0.21 0.00 0.02 0.00 0.00 55.97 53.53 1slu s LYS 126 Cb -0.16 -0.70 0.05 0.00 -0.52 0.00 0.00 37.83 36.50 1slu s LYS 126 CO 0.03 -0.41 0.56 1.52 -0.92 0.00 0.00 175.35 176.14 1slu s TYR 127 N -3.23 -0.40 -0.02 3.18 1.13 -1.26 -0.16 117.35 116.59 1slu s TYR 127 Ca 0.26 0.14 -0.04 0.00 -1.41 0.00 0.00 57.07 56.02 1slu s TYR 127 Cb 0.04 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.40 1slu s TYR 127 CO 0.14 -0.86 0.09 0.50 -2.51 0.00 0.00 175.55 172.91 1slu s ARG 128 N -3.79 0.23 -0.08 -3.49 3.52 -0.38 -4.94 118.95 110.03 1slu s ARG 128 Ca 0.03 -0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.42 1slu s ARG 128 Cb -0.01 0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.43 1slu s ARG 128 CO -0.10 -0.04 0.25 0.08 -0.81 0.00 0.00 175.30 174.68 1slu s VAL 129 N -0.52 5.31 0.02 7.11 1.01 -1.26 -0.32 120.40 131.75 1slu s VAL 129 Ca -0.06 0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1slu s VAL 129 Cb -0.04 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1slu s VAL 129 CO 0.00 0.58 -0.12 0.26 0.00 0.00 0.00 175.10 175.82 1slu s TRP 130 N -0.89 2.73 -0.08 5.22 0.52 -0.53 -4.98 118.94 120.92 1slu s TRP 130 Ca 0.18 -0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.19 1slu s TRP 130 Cb -0.14 -1.54 0.01 0.00 -1.15 0.00 0.00 33.47 30.65 1slu s TRP 130 CO 0.07 0.31 -0.19 0.21 0.02 0.00 0.00 176.95 177.38 1slu s LYS 131 N -1.42 2.45 0.38 4.98 2.20 -1.26 -1.97 119.74 125.09 1slu s LYS 131 Ca 0.16 -0.67 -0.26 0.00 -0.36 0.00 0.00 55.97 54.84 1slu s LYS 131 Cb -0.11 -1.90 -0.09 0.00 -1.51 0.00 0.00 37.83 34.22 1slu s LYS 131 CO 0.06 0.11 1.12 0.00 -0.36 0.00 0.00 175.35 176.28 1slu s ALA 132 N 0.49 3.17 0.23 3.13 0.00 -0.33 -5.01 121.76 123.45 1slu s ALA 132 Ca -0.17 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.38 1slu s ALA 132 Cb -0.17 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1slu s ALA 132 CO 0.07 -0.36 0.87 -2.00 0.00 0.00 0.00 175.76 174.34 1slu s GLU 133 N -2.22 4.68 -1.56 0.00 2.12 -1.26 -4.94 118.70 115.52 1slu s GLU 133 Ca 0.55 1.32 -0.11 0.00 0.36 0.00 0.00 54.97 57.08 1slu s GLU 133 Cb -0.28 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1slu s GLU 133 CO 0.35 0.49 2.69 -1.91 -0.54 0.00 0.00 175.26 176.34 1slu n GLU 134 N 1.31 3.37 -3.63 4.30 4.07 -1.26 -4.76 120.64 124.05 1slu n GLU 134 Ca -0.03 -2.34 -0.04 0.00 -0.06 0.00 0.00 57.16 54.70 1slu n GLU 134 Cb 0.48 -2.98 -0.06 0.00 -0.06 0.00 0.00 31.44 28.82 1slu n GLU 134 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1slu s LYS 135 N 2.57 0.53 -0.20 5.31 1.02 -1.26 -5.15 119.74 122.56 1slu s LYS 135 Ca 0.61 0.97 0.01 0.00 0.02 0.00 0.00 55.97 57.58 1slu s LYS 135 Cb 0.16 0.19 0.04 0.00 -0.52 0.00 0.00 37.83 37.70 1slu s LYS 135 CO -0.07 -0.12 -0.10 0.42 -0.92 0.00 0.00 175.35 174.56 1slu s ILE 136 N 1.66 1.61 0.43 2.17 1.01 -1.26 -5.13 121.20 121.69 1slu s ILE 136 Ca -0.09 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1slu s ILE 136 Cb -0.05 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1slu s ILE 136 CO -0.18 0.15 0.49 -1.81 0.00 0.00 0.00 174.94 173.59 1slu s ASP 137 N 1.41 5.32 0.12 3.58 1.01 -1.26 -5.13 116.67 121.71 1slu s ASP 137 Ca -0.02 -0.62 0.07 0.00 0.71 0.00 0.00 52.55 52.70 1slu s ASP 137 Cb -0.16 -0.52 -0.04 0.00 1.01 0.00 0.00 42.92 43.20 1slu s ASP 137 CO -0.08 -0.76 -0.07 0.20 0.21 0.00 0.00 175.17 174.67 1slu s ASN 138 N -4.27 4.55 1.02 0.27 0.01 -1.26 -5.12 114.94 110.13 1slu s ASN 138 Ca 0.52 -0.37 -0.15 0.00 -0.71 0.00 0.00 52.86 52.15 1slu s ASN 138 Cb -0.06 -0.91 0.20 0.00 0.41 0.00 0.00 41.25 40.88 1slu s ASN 138 CO 0.31 0.16 1.18 0.00 -1.51 0.00 0.00 177.10 177.23 1slu s ALA 139 N -1.34 1.49 -0.03 0.60 0.00 -1.26 -5.07 121.76 116.16 1slu s ALA 139 Ca 0.23 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1slu s ALA 139 Cb -0.11 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1slu s ALA 139 CO 0.15 -2.76 -0.20 0.08 0.00 0.00 0.00 175.76 173.04 1slu s VAL 140 N -3.34 1.58 -0.33 0.00 1.01 -1.26 -5.09 120.40 112.97 1slu s VAL 140 Ca 0.69 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1slu s VAL 140 Cb -0.10 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1slu s VAL 140 CO 0.54 0.45 0.89 -0.69 0.00 0.00 0.00 175.10 176.29 1slu s VAL 141 N -0.31 4.66 0.00 2.92 1.01 -1.26 -5.37 120.40 122.05 1slu s VAL 141 Ca 0.04 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1slu s VAL 141 Cb -0.09 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1slu s VAL 141 CO 0.00 -0.40 0.00 0.54 0.00 0.00 0.00 175.10 175.24