#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u04 s LYS 2 N 0.00 2.02 0.12 4.33 1.02 -1.26 -4.81 119.74 121.16 1u04 s LYS 2 Ca 0.00 -2.19 -0.24 0.00 0.02 0.00 0.00 55.97 53.55 1u04 s LYS 2 Cb 0.00 -1.57 0.08 0.00 -0.52 0.00 0.00 37.83 35.81 1u04 s LYS 2 CO 0.00 -0.15 0.65 0.00 -0.92 0.00 0.00 175.35 174.93 1u04 s ALA 3 N -2.78 -1.65 -0.20 5.17 0.00 -0.32 -4.86 121.76 117.13 1u04 s ALA 3 Ca 0.26 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1u04 s ALA 3 Cb 0.07 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1u04 s ALA 3 CO 0.13 -0.74 0.03 0.42 0.00 0.00 0.00 175.76 175.60 1u04 s ILE 4 N -3.54 4.33 0.05 0.00 -1.09 -1.26 -0.13 121.20 119.56 1u04 s ILE 4 Ca 0.01 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1u04 s ILE 4 Cb -0.01 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 1u04 s ILE 4 CO -0.11 0.43 -0.14 0.68 -1.23 0.00 0.00 174.94 174.57 1u04 s VAL 5 N 0.78 1.09 0.15 2.92 -7.23 -0.66 -4.93 120.40 112.53 1u04 s VAL 5 Ca 0.02 -1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 58.82 1u04 s VAL 5 Cb -0.14 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 1u04 s VAL 5 CO 0.02 -0.10 0.76 -0.69 -0.31 0.00 0.00 175.10 174.78 1u04 s VAL 6 N -1.03 4.41 0.29 1.32 1.01 -1.26 -0.67 120.40 124.47 1u04 s VAL 6 Ca -0.00 1.66 0.07 0.00 0.00 0.00 0.00 61.98 63.71 1u04 s VAL 6 Cb -0.09 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1u04 s VAL 6 CO 0.02 0.52 -0.07 0.27 0.00 0.00 0.00 175.10 175.84 1u04 s ILE 7 N -1.11 1.74 -0.03 2.22 -4.36 -0.74 -0.42 121.20 118.50 1u04 s ILE 7 Ca 0.35 -2.14 -0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1u04 s ILE 7 Cb -0.23 -2.46 -0.07 0.00 1.25 0.00 0.00 42.46 40.95 1u04 s ILE 7 CO 0.26 -0.30 2.52 -0.46 0.24 0.00 0.00 174.94 177.19 1u04 n ASN 8 N -0.60 5.40 -4.39 4.36 6.94 -0.75 -4.08 115.26 122.14 1u04 n ASN 8 Ca -0.05 -2.48 -0.28 0.00 -0.02 0.00 0.00 54.58 51.75 1u04 n ASN 8 Cb 0.63 -1.22 -0.13 0.00 -2.36 0.00 0.00 39.78 36.71 1u04 n ASN 8 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1u04 s LEU 9 N -0.15 2.35 -0.03 -4.53 1.02 -1.26 -1.62 118.68 114.46 1u04 s LEU 9 Ca 0.23 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.61 1u04 s LEU 9 Cb 0.12 -1.15 0.03 0.00 0.02 0.00 0.00 46.19 45.20 1u04 s LEU 9 CO -0.01 0.14 0.00 0.54 0.02 0.00 0.00 176.35 177.05 1u04 s VAL 10 N -1.28 0.18 0.35 -1.59 0.11 -0.47 -0.63 120.40 117.07 1u04 s VAL 10 Ca 0.15 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.02 1u04 s VAL 10 Cb -0.09 -0.29 -0.11 0.00 -1.53 0.00 0.00 36.38 34.35 1u04 s VAL 10 CO 0.07 0.16 1.54 1.17 -3.33 0.00 0.00 175.10 174.70 1u04 n LYS 11 N 4.27 2.72 -3.84 1.54 4.81 -1.26 -1.14 118.16 125.26 1u04 n LYS 11 Ca -0.24 0.96 -0.37 0.00 -0.87 0.00 0.00 58.31 57.79 1u04 n LYS 11 Cb 0.50 -2.72 -0.06 0.00 0.02 0.00 0.00 35.03 32.77 1u04 n LYS 11 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1u04 s ILE 12 N -0.74 5.48 0.17 3.15 1.01 -0.20 -0.63 121.20 129.44 1u04 s ILE 12 Ca 0.57 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 1u04 s ILE 12 Cb -0.48 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 1u04 s ILE 12 CO 0.59 0.58 1.23 0.21 0.00 0.00 0.00 174.94 177.55 1u04 s ASN 13 N -0.76 7.03 0.48 3.58 2.47 0.17 -4.66 114.94 123.25 1u04 s ASN 13 Ca 0.14 2.25 0.33 0.00 0.42 0.00 0.00 52.86 55.99 1u04 s ASN 13 Cb -0.12 -2.60 1.73 0.00 -1.45 0.00 0.00 41.25 38.81 1u04 s ASN 13 CO 0.03 -0.43 2.00 0.07 -3.72 0.00 0.00 177.10 175.04 1u04 h LYS 14 N 5.56 0.00 0.00 0.43 2.10 -1.97 -1.96 116.57 120.74 1u04 h LYS 14 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1u04 h LYS 14 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1u04 h LYS 14 CO 0.77 0.00 0.00 0.36 -2.00 0.00 0.00 179.45 178.58 1u04 n LYS 15 N -2.66 0.16 0.07 0.07 2.85 -1.26 -1.55 118.16 115.84 1u04 n LYS 15 Ca -0.02 0.18 -0.05 0.00 -1.05 0.00 0.00 58.31 57.37 1u04 n LYS 15 Cb 0.07 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 32.86 1u04 n LYS 15 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 1u04 h ILE 16 N 0.00 1.52 -1.90 0.58 2.10 -1.71 -3.45 117.51 114.65 1u04 h ILE 16 Ca 0.00 -3.17 -0.64 0.00 1.08 0.00 0.00 64.86 62.13 1u04 h ILE 16 Cb 0.09 2.75 0.06 0.00 -1.09 0.00 0.00 36.82 38.62 1u04 h ILE 16 CO 0.00 0.86 0.57 -0.38 -1.08 0.00 0.00 178.15 178.13 1u04 n ILE 17 N -3.31 0.02 -2.48 2.19 5.41 -0.59 -4.90 119.36 115.69 1u04 n ILE 17 Ca -0.01 -0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.35 1u04 n ILE 17 Cb 0.91 -1.07 -0.04 0.00 -0.71 0.00 0.00 39.64 38.73 1u04 n ILE 17 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1u04 s PRO 18 N 0.61 4.53 0.06 0.38 0.04 -1.26 -4.99 135.00 134.38 1u04 s PRO 18 Ca 0.82 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 1u04 s PRO 18 Cb -0.86 -3.05 -0.17 0.00 0.04 0.00 0.00 34.50 30.46 1u04 s PRO 18 CO 0.44 0.13 1.59 -0.44 0.04 0.00 0.00 177.00 178.75 1u04 h ASP 19 N 3.52 -0.47 -4.02 6.66 3.32 -1.96 -3.44 116.42 120.02 1u04 h ASP 19 Ca -0.47 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.05 1u04 h ASP 19 Cb 1.21 0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.58 1u04 h ASP 19 CO 0.66 -0.29 -0.82 -1.59 -1.72 0.00 0.00 179.24 175.48 1u04 s LYS 20 N -5.83 1.36 -0.05 3.56 0.00 -1.26 -4.84 119.74 112.68 1u04 s LYS 20 Ca -0.16 -0.51 0.03 0.00 0.00 0.00 0.00 55.97 55.33 1u04 s LYS 20 Cb 0.04 -1.25 -0.03 0.00 0.00 0.00 0.00 37.83 36.59 1u04 s LYS 20 CO 0.62 0.25 -0.12 0.42 0.00 0.00 0.00 175.35 176.51 1u04 s ILE 21 N -0.09 3.23 -0.17 3.79 1.01 -1.02 -4.57 121.20 123.38 1u04 s ILE 21 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1u04 s ILE 21 Cb -0.08 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1u04 s ILE 21 CO 0.01 0.59 -0.14 -0.31 0.00 0.00 0.00 174.94 175.09 1u04 s TYR 22 N -0.75 2.82 0.02 3.97 2.02 0.31 -0.56 117.35 125.18 1u04 s TYR 22 Ca 0.12 -1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 55.53 1u04 s TYR 22 Cb -0.11 -1.94 -0.06 0.00 -0.40 0.00 0.00 41.96 39.45 1u04 s TYR 22 CO 0.01 -0.55 0.44 0.08 -1.57 0.00 0.00 175.55 173.96 1u04 s VAL 23 N 1.04 4.97 0.03 0.71 1.01 -0.79 0.04 120.40 127.41 1u04 s VAL 23 Ca -0.01 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1u04 s VAL 23 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1u04 s VAL 23 CO -0.03 0.56 -0.02 -0.31 0.00 0.00 0.00 175.10 175.29 1u04 s TYR 24 N -1.11 0.32 -0.00 5.22 2.02 0.26 -1.12 117.35 122.95 1u04 s TYR 24 Ca 0.25 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1u04 s TYR 24 Cb -0.17 -0.24 -0.00 0.00 -0.40 0.00 0.00 41.96 41.15 1u04 s TYR 24 CO 0.15 -0.25 -0.05 0.50 -1.57 0.00 0.00 175.55 174.33 1u04 s ARG 25 N -2.17 0.37 0.00 -0.62 3.52 -0.68 -1.46 118.95 117.91 1u04 s ARG 25 Ca -0.09 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1u04 s ARG 25 Cb -0.05 -0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 1u04 s ARG 25 CO -0.04 0.09 0.00 1.28 -0.81 0.00 0.00 175.30 175.83 1u04 n LEU 26 N 2.87 0.00 -0.47 -0.88 4.77 -1.14 0.12 117.00 122.28 1u04 n LEU 26 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1u04 n LEU 26 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1u04 n LEU 26 CO 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.31 1u04 n TYR 39 N 0.00 0.00 0.00 -1.77 9.36 -1.26 -4.90 117.16 118.59 1u04 n TYR 39 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1u04 n TYR 39 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1u04 n TYR 39 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1u04 n SER 40 N -3.59 0.00 0.17 2.98 3.41 -1.26 -4.95 113.62 110.39 1u04 n SER 40 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1u04 n SER 40 Cb 0.38 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.60 1u04 n SER 40 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1u04 h ILE 41 N 0.34 1.03 0.00 -1.33 2.10 -2.02 0.46 117.51 118.08 1u04 h ILE 41 Ca 0.00 -1.72 -0.24 0.00 1.08 0.00 0.00 64.86 63.97 1u04 h ILE 41 Cb 0.00 2.02 0.01 0.00 -1.09 0.00 0.00 36.82 37.76 1u04 h ILE 41 CO 0.00 0.44 -0.99 1.88 -1.08 0.00 0.00 178.15 178.40 1u04 h TYR 42 N 0.00 0.80 -0.01 2.19 0.05 -1.98 -2.14 116.97 115.89 1u04 h TYR 42 Ca -0.00 -0.44 -0.17 0.00 0.05 0.00 0.00 58.73 58.17 1u04 h TYR 42 Cb 0.98 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 1u04 h TYR 42 CO 0.00 1.27 -0.77 0.00 -1.05 0.00 0.00 178.16 177.60 1u04 h ARG 43 N 0.30 0.10 0.58 4.88 3.08 -1.89 -1.86 114.38 119.57 1u04 h ARG 43 Ca -0.10 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1u04 h ARG 43 Cb 1.64 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.72 1u04 h ARG 43 CO 0.18 0.82 -0.28 1.25 -1.07 0.00 0.00 179.97 180.88 1u04 h LEU 44 N 0.06 -0.66 -0.90 3.04 5.85 -0.88 0.07 115.31 121.89 1u04 h LEU 44 Ca -0.02 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.85 1u04 h LEU 44 Cb 1.36 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.45 1u04 h LEU 44 CO 0.11 -0.32 0.46 0.00 -0.34 0.00 0.00 178.44 178.34 1u04 h ALA 45 N -0.76 1.42 -0.18 1.25 0.00 -1.41 -1.98 119.26 117.61 1u04 h ALA 45 Ca -0.08 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1u04 h ALA 45 Cb 0.66 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1u04 h ALA 45 CO 0.13 -0.18 0.03 -0.92 0.00 0.00 0.00 179.25 178.31 1u04 h TYR 46 N 0.56 0.32 0.00 0.00 3.20 -1.15 0.44 116.97 120.34 1u04 h TYR 46 Ca 0.52 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.33 1u04 h TYR 46 Cb 0.87 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1u04 h TYR 46 CO -0.09 0.46 -0.09 0.93 -1.64 0.00 0.00 178.16 177.73 1u04 h GLU 47 N 0.08 0.00 -0.64 1.82 5.08 -0.27 -1.21 114.58 119.45 1u04 h GLU 47 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1u04 h GLU 47 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1u04 h GLU 47 CO 0.00 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 1u04 n ASN 48 N -3.63 5.10 -3.55 1.42 3.02 -0.85 -4.93 115.26 111.83 1u04 n ASN 48 Ca -0.02 -2.80 -0.26 0.00 -0.03 0.00 0.00 54.58 51.47 1u04 n ASN 48 Cb 0.20 -0.66 0.05 0.00 -0.61 0.00 0.00 39.78 38.76 1u04 n ASN 48 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1u04 n VAL 49 N 0.56 -6.84 -3.56 2.41 0.31 -0.46 -3.50 118.33 107.24 1u04 n VAL 49 Ca 0.24 -1.07 -0.05 0.00 -0.01 0.00 0.00 64.34 63.44 1u04 n VAL 49 Cb 1.07 -5.00 -0.00 0.00 -0.91 0.00 0.00 33.84 29.00 1u04 n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u04 n GLY 50 N -1.54 2.11 2.73 2.92 0.00 0.15 -1.80 105.19 109.76 1u04 n GLY 50 Ca -0.09 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 1u04 n GLY 50 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1u04 n ILE 51 N -0.25 0.00 -3.87 -0.61 -6.64 0.26 -3.43 119.36 104.82 1u04 n ILE 51 Ca -0.02 -1.97 -0.36 0.00 -1.77 0.00 0.00 62.75 58.63 1u04 n ILE 51 Cb 0.26 0.78 -0.12 0.00 -1.44 0.00 0.00 39.64 39.13 1u04 n ILE 51 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1u04 s VAL 52 N -2.89 4.51 -0.15 7.28 1.01 -1.26 -1.20 120.40 127.69 1u04 s VAL 52 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1u04 s VAL 52 Cb 0.01 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 1u04 s VAL 52 CO 0.15 0.38 -0.03 0.40 0.00 0.00 0.00 175.10 176.00 1u04 h ILE 53 N 5.29 0.27 -3.66 2.22 2.04 0.26 -3.45 117.51 120.48 1u04 h ILE 53 Ca -0.37 -1.30 -0.66 0.00 1.00 0.00 0.00 64.86 63.53 1u04 h ILE 53 Cb 1.18 0.60 -0.40 0.00 -0.74 0.00 0.00 36.82 37.46 1u04 h ILE 53 CO 0.62 0.09 -0.71 -0.62 0.00 0.00 0.00 178.15 177.52 1u04 s ASP 54 N -5.95 4.73 0.47 1.72 -1.08 -0.56 -4.96 116.67 111.03 1u04 s ASP 54 Ca -0.15 -2.22 0.17 0.00 -0.52 0.00 0.00 52.55 49.82 1u04 s ASP 54 Cb 0.02 -1.62 1.16 0.00 -1.46 0.00 0.00 42.92 41.02 1u04 s ASP 54 CO 0.28 -0.37 2.01 -0.65 0.52 0.00 0.00 175.17 176.96 1u04 h PRO 55 N 7.53 0.23 0.00 4.34 0.11 -1.87 0.48 132.00 142.82 1u04 h PRO 55 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1u04 h PRO 55 Cb 1.01 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1u04 h PRO 55 CO 0.53 0.16 0.00 0.39 -0.21 0.00 0.00 178.00 178.87 1u04 n GLU 56 N -4.46 0.00 0.00 1.05 -0.58 -1.26 -3.59 120.64 111.80 1u04 n GLU 56 Ca 0.08 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1u04 n GLU 56 Cb 0.39 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1u04 n GLU 56 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u04 n ASN 57 N -1.89 0.53 -4.22 1.62 3.02 -1.17 -4.84 115.26 108.32 1u04 n ASN 57 Ca 0.00 -1.27 -0.30 0.00 -0.03 0.00 0.00 54.58 52.99 1u04 n ASN 57 Cb 0.00 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 1u04 n ASN 57 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1u04 n LEU 58 N 0.07 -1.33 -4.59 3.41 4.77 -0.01 -4.48 117.00 114.85 1u04 n LEU 58 Ca 0.00 -1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 54.40 1u04 n LEU 58 Cb 0.13 -1.78 -0.11 0.00 -2.33 0.00 0.00 43.42 39.34 1u04 n LEU 58 CO 0.00 0.45 -0.15 -0.63 -1.33 0.00 0.00 177.39 175.73 1u04 s ILE 59 N -4.24 5.30 0.18 -0.08 1.01 -0.24 -2.86 121.20 120.26 1u04 s ILE 59 Ca 0.02 0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.96 1u04 s ILE 59 Cb -0.01 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1u04 s ILE 59 CO 0.97 0.24 -0.18 0.27 0.00 0.00 0.00 174.94 176.24 1u04 s ILE 60 N 1.78 2.74 -0.15 2.92 -4.36 -0.53 0.96 121.20 124.56 1u04 s ILE 60 Ca 0.08 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1u04 s ILE 60 Cb -0.16 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.25 1u04 s ILE 60 CO 0.11 -0.08 -0.17 0.00 0.24 0.00 0.00 174.94 175.04 1u04 s ALA 61 N -1.59 2.03 0.17 2.27 0.00 -0.34 -0.57 121.76 123.73 1u04 s ALA 61 Ca 0.22 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1u04 s ALA 61 Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1u04 s ALA 61 CO 0.12 -0.27 -0.20 0.99 0.00 0.00 0.00 175.76 176.40 1u04 s THR 62 N 1.24 2.64 -2.63 0.00 2.01 0.11 -0.57 115.64 118.44 1u04 s THR 62 Ca 0.01 -1.83 0.21 0.00 0.31 0.00 0.00 61.69 60.39 1u04 s THR 62 Cb -0.14 -2.26 0.17 0.00 0.01 0.00 0.00 72.50 70.28 1u04 s THR 62 CO -0.09 -0.07 1.17 0.35 -0.69 0.00 0.00 174.62 175.29 1u04 n THR 63 N 0.34 0.00 -4.44 -0.82 -2.24 -0.74 0.11 114.28 106.48 1u04 n THR 63 Ca -0.13 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1u04 n THR 63 Cb 0.55 1.44 -0.11 0.00 -2.10 0.00 0.00 70.33 70.11 1u04 n THR 63 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u04 s LYS 64 N -1.75 1.62 -0.28 -0.78 -0.14 -1.23 -4.89 119.74 112.28 1u04 s LYS 64 Ca 0.25 -1.88 -0.28 0.00 -1.36 0.00 0.00 55.97 52.69 1u04 s LYS 64 Cb 0.18 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 35.37 1u04 s LYS 64 CO 0.26 -0.13 1.91 -2.00 -0.76 0.00 0.00 175.35 174.63 1u04 s GLU 65 N -3.85 3.32 -0.13 1.68 2.12 -1.26 -4.87 118.70 115.71 1u04 s GLU 65 Ca 0.34 1.63 -0.35 0.00 0.36 0.00 0.00 54.97 56.96 1u04 s GLU 65 Cb 0.08 -4.23 -0.12 0.00 0.26 0.00 0.00 34.13 30.11 1u04 s GLU 65 CO 0.14 -1.87 1.88 -0.11 -0.54 0.00 0.00 175.26 174.76 1u04 n LEU 66 N 10.50 3.28 -4.32 2.70 -0.00 -1.26 -4.96 117.00 122.93 1u04 n LEU 66 Ca 0.25 0.97 -0.37 0.00 -0.00 0.00 0.00 56.01 56.85 1u04 n LEU 66 Cb 0.46 -1.34 -0.13 0.00 -0.00 0.00 0.00 43.42 42.42 1u04 n LEU 66 CO 0.68 -0.12 -0.29 -1.61 -0.00 0.00 0.00 177.39 176.05 1u04 s GLU 67 N 4.10 3.03 -0.28 1.96 2.02 -1.26 -5.05 118.70 123.23 1u04 s GLU 67 Ca 0.94 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 54.97 1u04 s GLU 67 Cb -0.75 -3.34 0.14 0.00 0.10 0.00 0.00 34.13 30.28 1u04 s GLU 67 CO 0.54 -0.46 0.57 -0.47 0.02 0.00 0.00 175.26 175.46 1u04 s TYR 68 N 1.47 -1.26 -0.93 1.61 5.04 -1.26 -5.02 117.35 117.00 1u04 s TYR 68 Ca 0.02 1.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 1u04 s TYR 68 Cb -0.17 0.58 0.00 0.00 0.35 0.00 0.00 41.96 42.72 1u04 s TYR 68 CO 0.02 -0.69 0.44 0.39 -1.34 0.00 0.00 175.55 174.37 1u04 n GLU 69 N 5.43 0.83 -4.23 4.97 1.02 -1.26 -4.79 120.64 122.60 1u04 n GLU 69 Ca -0.08 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.80 1u04 n GLU 69 Cb 0.50 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1u04 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u04 n GLY 70 N 0.12 3.61 3.79 0.62 0.00 -1.26 -5.13 105.19 106.94 1u04 n GLY 70 Ca 0.00 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 1u04 n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u04 s GLU 71 N -3.51 3.76 0.00 1.61 4.04 -1.26 -5.04 118.70 118.28 1u04 s GLU 71 Ca 0.03 1.50 0.00 0.00 0.04 0.00 0.00 54.97 56.54 1u04 s GLU 71 Cb 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 34.13 31.96 1u04 s GLU 71 CO 0.02 -0.49 0.00 1.97 -1.84 0.00 0.00 175.26 174.92 1u04 n PHE 72 N -0.83 0.00 -4.08 4.83 1.16 -1.26 -4.75 117.46 112.53 1u04 n PHE 72 Ca 0.09 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.33 1u04 n PHE 72 Cb 0.51 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.22 1u04 n PHE 72 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1u04 s ILE 73 N -1.86 2.31 -0.11 1.97 2.07 0.12 -4.95 121.20 120.74 1u04 s ILE 73 Ca 0.00 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 58.06 1u04 s ILE 73 Cb 0.00 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.55 1u04 s ILE 73 CO 0.00 0.50 1.53 -2.16 -1.91 0.00 0.00 174.94 172.90 1u04 s PRO 74 N 1.32 4.15 -0.07 3.50 0.04 -1.26 -1.68 135.00 140.99 1u04 s PRO 74 Ca 0.05 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1u04 s PRO 74 Cb -0.13 -3.92 0.15 0.00 0.04 0.00 0.00 34.50 30.63 1u04 s PRO 74 CO -0.11 -0.86 0.97 0.39 0.04 0.00 0.00 177.00 177.43 1u04 n GLU 75 N 7.04 1.51 -0.30 4.56 -0.58 -0.27 -4.97 120.64 127.63 1u04 n GLU 75 Ca 0.16 -0.61 0.04 0.00 -0.42 0.00 0.00 57.16 56.33 1u04 n GLU 75 Cb 0.44 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.86 1u04 n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u04 n GLY 76 N 0.15 -1.77 3.88 0.62 0.00 -1.25 -4.77 105.19 102.05 1u04 n GLY 76 Ca 0.09 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1u04 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u04 s GLU 77 N -1.79 3.22 0.13 1.61 2.02 -1.26 -1.88 118.70 120.75 1u04 s GLU 77 Ca 0.00 0.52 -0.08 0.00 0.02 0.00 0.00 54.97 55.42 1u04 s GLU 77 Cb 0.00 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 1u04 s GLU 77 CO 0.00 -0.75 0.23 -1.50 0.02 0.00 0.00 175.26 173.27 1u04 s ILE 78 N -3.20 0.10 0.08 -1.63 2.07 0.28 -4.85 121.20 114.04 1u04 s ILE 78 Ca 0.56 -1.33 0.05 0.00 -1.41 0.00 0.00 60.65 58.52 1u04 s ILE 78 Cb -0.11 -1.65 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 1u04 s ILE 78 CO 0.52 -0.45 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.10 1u04 s SER 79 N -2.93 4.69 0.48 4.50 1.04 -1.26 -2.43 113.70 117.80 1u04 s SER 79 Ca 0.13 -0.25 0.29 0.00 0.48 0.00 0.00 55.95 56.60 1u04 s SER 79 Cb 0.04 -1.03 1.38 0.00 0.10 0.00 0.00 66.02 66.51 1u04 s SER 79 CO -0.04 0.20 1.78 0.15 0.98 0.00 0.00 173.24 176.30 1u04 h PHE 80 N 3.73 0.28 0.00 5.02 3.57 -1.88 0.13 116.94 127.80 1u04 h PHE 80 Ca -0.48 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1u04 h PHE 80 Cb 1.17 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1u04 h PHE 80 CO 0.60 0.01 -0.11 0.66 -2.23 0.00 0.00 178.31 177.24 1u04 h SER 81 N 0.15 0.00 1.28 0.41 4.64 -1.98 -2.85 113.55 115.21 1u04 h SER 81 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1u04 h SER 81 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1u04 h SER 81 CO -0.14 0.11 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.16 1u04 h GLU 82 N 0.00 0.00 -6.87 4.77 5.08 -1.14 -3.46 114.58 112.96 1u04 h GLU 82 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1u04 h GLU 82 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.61 1u04 h GLU 82 CO 0.01 0.00 0.45 -0.51 -1.00 0.00 0.00 179.01 177.96 1u04 s LEU 83 N -4.98 4.39 0.73 1.33 1.43 -1.08 -5.01 118.68 115.49 1u04 s LEU 83 Ca 0.06 2.17 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 1u04 s LEU 83 Cb 0.10 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.51 1u04 s LEU 83 CO 0.70 -0.28 1.14 -0.60 0.23 0.00 0.00 176.35 177.53 1u04 s ARG 84 N -1.86 2.31 0.21 1.70 3.52 -1.26 -4.70 118.95 118.88 1u04 s ARG 84 Ca 0.50 1.47 -0.14 0.00 -0.13 0.00 0.00 55.73 57.42 1u04 s ARG 84 Cb -0.28 -1.88 0.23 0.00 -1.56 0.00 0.00 34.95 31.46 1u04 s ARG 84 CO 0.36 -1.64 1.61 -0.91 -0.81 0.00 0.00 175.30 173.91 1u04 h ASN 85 N -0.49 -0.71 -0.55 -2.12 2.35 -1.96 -1.50 115.58 110.59 1u04 h ASN 85 Ca -0.46 0.20 0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1u04 h ASN 85 Cb 1.26 0.44 -0.11 0.00 0.05 0.00 0.00 38.32 39.96 1u04 h ASN 85 CO 0.51 -0.24 -0.30 0.44 -1.65 0.00 0.00 177.43 176.20 1u04 h ASP 86 N -0.03 -1.02 0.24 5.81 3.32 -1.99 0.10 116.42 122.85 1u04 h ASP 86 Ca 0.30 0.21 -0.10 0.00 0.02 0.00 0.00 57.03 57.46 1u04 h ASP 86 Cb 0.50 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1u04 h ASP 86 CO -0.68 -0.29 -0.40 1.88 -1.72 0.00 0.00 179.24 178.03 1u04 h TYR 87 N -0.15 0.26 0.03 4.55 0.05 -1.73 -1.32 116.97 118.66 1u04 h TYR 87 Ca 0.23 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 1u04 h TYR 87 Cb 0.53 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1u04 h TYR 87 CO -0.59 0.59 -0.01 1.96 -1.05 0.00 0.00 178.16 179.06 1u04 h GLN 88 N 0.19 -0.04 -0.81 4.88 4.20 -0.06 0.26 115.11 123.72 1u04 h GLN 88 Ca 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1u04 h GLN 88 Cb 0.79 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 1u04 h GLN 88 CO 0.06 -0.01 0.37 0.77 -0.67 0.00 0.00 178.83 179.34 1u04 h SER 89 N -0.05 1.08 -0.52 1.46 0.02 -0.95 -1.18 113.55 113.40 1u04 h SER 89 Ca -0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1u04 h SER 89 Cb 0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1u04 h SER 89 CO 0.01 0.93 0.17 0.11 -1.14 0.00 0.00 176.83 176.91 1u04 h LYS 90 N 1.16 0.81 -0.52 3.45 1.57 -0.90 0.08 116.57 122.22 1u04 h LYS 90 Ca 0.28 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1u04 h LYS 90 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1u04 h LYS 90 CO -0.03 0.74 0.11 1.25 -0.57 0.00 0.00 179.45 180.95 1u04 h LEU 91 N 0.71 0.74 -0.50 2.94 5.85 -0.11 -2.11 115.31 122.83 1u04 h LEU 91 Ca 0.17 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 1u04 h LEU 91 Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1u04 h LEU 91 CO -0.01 0.73 -0.32 0.58 -0.34 0.00 0.00 178.44 179.09 1u04 h VAL 92 N 0.76 1.27 -0.33 1.05 2.07 -0.82 -1.20 116.25 119.07 1u04 h VAL 92 Ca 0.17 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1u04 h VAL 92 Cb 0.30 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1u04 h VAL 92 CO -0.00 0.50 0.08 0.25 0.02 0.00 0.00 177.57 178.42 1u04 h LEU 93 N 0.74 0.05 -0.90 2.57 5.85 -0.57 0.27 115.31 123.33 1u04 h LEU 93 Ca 0.08 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1u04 h LEU 93 Cb 0.89 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1u04 h LEU 93 CO 0.08 0.07 0.53 -0.09 -0.34 0.00 0.00 178.44 178.69 1u04 h ARG 94 N 0.21 1.23 -0.47 1.25 9.65 -1.19 -2.52 114.38 122.55 1u04 h ARG 94 Ca 0.15 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1u04 h ARG 94 Cb 0.15 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 1u04 h ARG 94 CO -0.18 0.87 -0.07 -0.07 2.80 0.00 0.00 179.97 183.32 1u04 h LEU 95 N 1.25 0.82 -0.79 3.80 3.38 -0.21 -2.61 115.31 120.95 1u04 h LEU 95 Ca 0.32 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1u04 h LEU 95 Cb -0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1u04 h LEU 95 CO -0.06 0.92 0.49 -0.07 0.09 0.00 0.00 178.44 179.82 1u04 h LEU 96 N 0.76 0.80 -1.22 1.67 3.38 -0.08 -1.79 115.31 118.82 1u04 h LEU 96 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1u04 h LEU 96 Cb 0.56 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1u04 h LEU 96 CO 0.03 0.54 0.54 0.50 0.09 0.00 0.00 178.44 180.14 1u04 h LYS 97 N 0.94 0.95 0.00 1.13 1.63 -1.11 -0.29 116.57 119.82 1u04 h LYS 97 Ca 0.32 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1u04 h LYS 97 Cb 0.07 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1u04 h LYS 97 CO -0.13 0.63 0.00 0.93 -3.45 0.00 0.00 179.45 177.43 1u04 h GLU 98 N 0.98 0.00 -0.46 1.90 4.39 -1.10 -1.32 114.58 118.97 1u04 h GLU 98 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1u04 h GLU 98 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1u04 h GLU 98 CO -0.11 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.83 1u04 n ASN 99 N -2.40 5.00 -0.06 1.42 4.13 -0.22 -4.92 115.26 118.22 1u04 n ASN 99 Ca 0.01 -2.93 -0.01 0.00 1.68 0.00 0.00 54.58 53.33 1u04 n ASN 99 Cb 0.17 -0.62 -0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1u04 n ASN 99 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u04 n GLY 100 N 0.24 0.48 3.12 7.41 0.00 -0.50 -5.00 105.19 110.95 1u04 n GLY 100 Ca 0.25 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1u04 n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u04 s ILE 101 N -2.00 3.87 0.27 -0.61 1.01 -0.61 -4.79 121.20 118.35 1u04 s ILE 101 Ca 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 60.65 57.82 1u04 s ILE 101 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1u04 s ILE 101 CO 0.00 -0.88 0.28 -0.83 0.00 0.00 0.00 174.94 173.51 1u04 s GLY 102 N 0.93 1.64 0.24 6.18 0.00 -1.26 -2.66 107.32 112.39 1u04 s GLY 102 Ca 0.16 -1.69 -0.06 0.00 0.00 0.00 0.00 44.72 43.13 1u04 s GLY 102 CO -0.04 -1.26 1.88 0.83 0.00 0.00 0.00 173.10 174.51 1u04 h GLU 103 N 2.33 1.09 0.78 2.90 5.08 -1.96 -0.95 114.58 123.85 1u04 h GLU 103 Ca -0.30 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1u04 h GLU 103 Cb 1.24 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1u04 h GLU 103 CO 0.43 0.72 -0.47 -0.92 -1.00 0.00 0.00 179.01 177.77 1u04 h TYR 104 N 1.12 -1.26 -0.04 4.33 3.20 -1.97 0.55 116.97 122.90 1u04 h TYR 104 Ca 0.37 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.23 1u04 h TYR 104 Cb 0.03 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1u04 h TYR 104 CO -0.02 -0.71 -0.00 0.93 -1.64 0.00 0.00 178.16 176.72 1u04 h GLU 105 N -1.17 0.01 0.00 1.82 3.07 -1.84 -2.68 114.58 113.79 1u04 h GLU 105 Ca -0.10 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.68 1u04 h GLU 105 Cb 0.94 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1u04 h GLU 105 CO 0.11 0.01 -0.34 -0.07 -1.40 0.00 0.00 179.01 177.32 1u04 h LEU 106 N 0.01 0.00 -0.72 1.33 4.07 -1.20 -2.38 115.31 116.43 1u04 h LEU 106 Ca 0.02 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 1u04 h LEU 106 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1u04 h LEU 106 CO -0.03 0.34 -0.25 0.28 -1.08 0.00 0.00 178.44 177.70 1u04 h SER 107 N 0.00 0.73 -0.41 -0.43 0.02 -0.75 -0.76 113.55 111.95 1u04 h SER 107 Ca -0.00 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1u04 h SER 107 Cb 0.81 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1u04 h SER 107 CO 0.04 0.95 0.04 0.11 -1.14 0.00 0.00 176.83 176.83 1u04 h LYS 108 N 0.62 0.70 -0.61 3.45 1.57 -1.19 -2.20 116.57 118.92 1u04 h LYS 108 Ca 0.08 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1u04 h LYS 108 Cb 0.75 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1u04 h LYS 108 CO 0.06 0.76 0.40 -0.07 -0.57 0.00 0.00 179.45 180.03 1u04 h LEU 109 N 0.54 0.67 -0.65 2.94 3.38 -1.16 -2.62 115.31 118.42 1u04 h LEU 109 Ca 0.12 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1u04 h LEU 109 Cb 0.42 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1u04 h LEU 109 CO 0.01 0.48 0.37 0.25 0.09 0.00 0.00 178.44 179.64 1u04 h LEU 110 N 0.80 0.55 0.00 1.67 5.85 -0.89 -1.30 115.31 121.99 1u04 h LEU 110 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1u04 h LEU 110 Cb -0.06 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1u04 h LEU 110 CO -0.06 0.36 0.00 0.54 -0.34 0.00 0.00 178.44 178.94 1u04 n ARG 111 N -4.78 0.25 0.18 1.25 1.74 -0.85 -0.25 116.66 114.20 1u04 n ARG 111 Ca 0.08 0.11 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1u04 n ARG 111 Cb 0.15 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.21 1u04 n ARG 111 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1u04 h LYS 112 N 0.00 0.00 0.00 5.56 1.57 -1.13 -3.35 116.57 119.22 1u04 h LYS 112 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1u04 h LYS 112 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1u04 h LYS 112 CO 0.00 0.28 -1.55 1.19 -0.57 0.00 0.00 179.45 178.79 1u04 n PHE 113 N -3.18 0.00 -3.96 -1.35 3.72 -0.06 -4.86 117.46 107.77 1u04 n PHE 113 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 1u04 n PHE 113 Cb 0.63 -0.38 -0.14 0.00 -0.94 0.00 0.00 39.48 38.64 1u04 n PHE 113 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1u04 s ARG 114 N -2.19 1.64 0.52 -1.08 6.06 0.65 -5.11 118.95 119.44 1u04 s ARG 114 Ca -0.09 -2.16 -0.15 0.00 -2.50 0.00 0.00 55.73 50.83 1u04 s ARG 114 Cb 0.03 -3.15 -0.07 0.00 0.06 0.00 0.00 34.95 31.82 1u04 s ARG 114 CO 0.27 -1.02 0.98 0.15 -2.50 0.00 0.00 175.30 173.18 1u04 s LYS 115 N 0.41 3.89 0.53 5.12 1.02 -1.25 -3.94 119.74 125.51 1u04 s LYS 115 Ca 0.14 0.89 -0.22 0.00 0.02 0.00 0.00 55.97 56.80 1u04 s LYS 115 Cb -0.22 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1u04 s LYS 115 CO -0.05 -0.30 1.30 -2.14 -0.92 0.00 0.00 175.35 173.25 1u04 s PRO 116 N -4.21 3.29 -0.01 -1.68 0.02 -1.26 -4.81 135.00 126.34 1u04 s PRO 116 Ca 0.58 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.72 1u04 s PRO 116 Cb -0.10 -2.28 -0.00 0.00 0.02 0.00 0.00 34.50 32.14 1u04 s PRO 116 CO 0.34 -1.03 -0.07 0.21 -0.33 0.00 0.00 177.00 176.13 1u04 s LYS 117 N -2.87 0.54 -0.13 5.54 2.20 -0.74 -4.94 119.74 119.34 1u04 s LYS 117 Ca 0.70 -0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 56.03 1u04 s LYS 117 Cb -0.37 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.39 1u04 s LYS 117 CO 0.44 0.14 0.05 0.95 -0.36 0.00 0.00 175.35 176.56 1u04 s THR 118 N -0.12 4.68 -0.19 3.43 -4.23 -1.26 0.44 115.64 118.39 1u04 s THR 118 Ca 0.02 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1u04 s THR 118 Cb -0.03 -3.04 0.05 0.00 1.34 0.00 0.00 72.50 70.82 1u04 s THR 118 CO -0.00 0.55 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.20 1u04 s PHE 119 N -0.36 2.08 0.00 3.99 0.08 0.14 -4.99 117.98 118.92 1u04 s PHE 119 Ca 0.08 -1.40 0.00 0.00 0.12 0.00 0.00 56.93 55.73 1u04 s PHE 119 Cb -0.12 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1u04 s PHE 119 CO 0.02 -0.70 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 1u04 n GLY 120 N 4.77 3.37 0.67 4.36 0.00 -1.26 -0.99 105.19 116.12 1u04 n GLY 120 Ca -0.13 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1u04 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u04 n ASP 121 N 5.52 2.00 -4.55 1.61 8.00 -1.26 -4.91 116.55 122.96 1u04 n ASP 121 Ca 0.00 -1.82 -0.32 0.00 0.71 0.00 0.00 54.79 53.36 1u04 n ASP 121 Cb 0.00 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 1u04 n ASP 121 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1u04 s TYR 122 N -1.67 2.81 -0.13 1.24 2.02 -0.16 -4.18 117.35 117.29 1u04 s TYR 122 Ca 0.32 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1u04 s TYR 122 Cb 0.17 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1u04 s TYR 122 CO 0.25 0.32 -0.13 0.21 -1.57 0.00 0.00 175.55 174.63 1u04 s LYS 123 N -1.28 3.35 -0.27 -0.62 2.20 0.31 0.25 119.74 123.68 1u04 s LYS 123 Ca 0.15 -0.69 -0.18 0.00 -0.36 0.00 0.00 55.97 54.90 1u04 s LYS 123 Cb -0.11 -2.62 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1u04 s LYS 123 CO 0.06 0.23 0.54 0.08 -0.36 0.00 0.00 175.35 175.90 1u04 s VAL 124 N 0.30 5.04 -0.31 4.02 1.01 0.17 -0.89 120.40 129.74 1u04 s VAL 124 Ca -0.10 0.87 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 1u04 s VAL 124 Cb -0.16 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1u04 s VAL 124 CO 0.06 0.04 0.04 -0.63 0.00 0.00 0.00 175.10 174.60 1u04 s ILE 125 N 2.36 3.35 0.37 2.22 1.01 0.11 -1.79 121.20 128.84 1u04 s ILE 125 Ca 0.22 -1.20 -0.25 0.00 0.00 0.00 0.00 60.65 59.42 1u04 s ILE 125 Cb -0.16 -2.88 -0.10 0.00 0.01 0.00 0.00 42.46 39.34 1u04 s ILE 125 CO 0.10 -0.09 1.00 -2.84 0.00 0.00 0.00 174.94 173.11 1u04 s PRO 126 N 1.33 4.33 0.36 2.79 0.02 -1.26 -1.15 135.00 141.43 1u04 s PRO 126 Ca -0.03 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 62.25 1u04 s PRO 126 Cb -0.19 -2.61 0.04 0.00 0.02 0.00 0.00 34.50 31.76 1u04 s PRO 126 CO 0.00 0.03 0.73 -1.54 -0.33 0.00 0.00 177.00 175.89 1u04 s SER 127 N -1.64 0.10 0.01 2.53 1.04 -0.69 -4.77 113.70 110.28 1u04 s SER 127 Ca 0.55 -1.13 0.08 0.00 0.48 0.00 0.00 55.95 55.93 1u04 s SER 127 Cb -0.19 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1u04 s SER 127 CO 0.25 -1.58 -0.24 0.68 0.98 0.00 0.00 173.24 173.33 1u04 s VAL 128 N -2.64 1.89 0.50 5.02 -7.23 -1.26 -1.33 120.40 115.34 1u04 s VAL 128 Ca 0.17 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1u04 s VAL 128 Cb -0.04 -1.59 0.04 0.00 0.56 0.00 0.00 36.38 35.34 1u04 s VAL 128 CO 0.12 0.43 0.57 -0.70 -0.31 0.00 0.00 175.10 175.21 1u04 s GLU 129 N -0.83 2.47 0.00 4.82 2.12 0.11 -4.74 118.70 122.64 1u04 s GLU 129 Ca 0.09 -1.60 0.00 0.00 0.36 0.00 0.00 54.97 53.82 1u04 s GLU 129 Cb -0.09 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.79 1u04 s GLU 129 CO 0.00 -0.53 0.00 -1.13 -0.54 0.00 0.00 175.26 173.06 1u04 n SER 131 N -1.90 0.00 -4.14 -1.70 3.41 -1.04 -1.48 113.62 106.77 1u04 n SER 131 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.39 1u04 n SER 131 Cb 0.62 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.40 1u04 n SER 131 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u04 s VAL 132 N -2.00 1.73 -0.08 -3.33 1.01 -1.26 -0.07 120.40 116.41 1u04 s VAL 132 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1u04 s VAL 132 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1u04 s VAL 132 CO 0.00 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.76 1u04 s ILE 133 N 0.59 2.52 -0.36 2.22 1.01 -0.00 -4.81 121.20 122.37 1u04 s ILE 133 Ca -0.14 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1u04 s ILE 133 Cb -0.17 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 1u04 s ILE 133 CO 0.05 0.56 0.39 -0.75 0.00 0.00 0.00 174.94 175.19 1u04 s LYS 134 N -0.14 3.48 0.00 2.79 2.20 -1.26 -0.57 119.74 126.24 1u04 s LYS 134 Ca -0.03 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1u04 s LYS 134 Cb -0.14 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1u04 s LYS 134 CO 0.04 -0.59 0.01 1.58 -0.36 0.00 0.00 175.35 176.03 1u04 n HIS 135 N 5.45 0.00 0.00 4.03 -0.00 -0.59 -4.14 115.22 119.97 1u04 n HIS 135 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1u04 n HIS 135 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 1u04 n HIS 135 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1u04 n ASP 136 N -0.03 0.00 -0.39 0.26 5.68 -1.26 -4.25 116.55 116.57 1u04 n ASP 136 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 1u04 n ASP 136 Cb 0.00 -0.13 0.03 0.00 -1.14 0.00 0.00 41.12 39.88 1u04 n ASP 136 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1u04 n GLU 137 N -1.88 1.15 -4.15 0.11 0.28 -1.26 -5.02 120.64 109.87 1u04 n GLU 137 Ca 0.00 -0.99 -0.24 0.00 -0.16 0.00 0.00 57.16 55.77 1u04 n GLU 137 Cb 0.00 -1.18 -0.06 0.00 1.43 0.00 0.00 31.44 31.63 1u04 n GLU 137 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1u04 s ASP 138 N -1.15 5.24 -0.10 -1.84 1.01 -1.26 -5.12 116.67 113.44 1u04 s ASP 138 Ca 0.12 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.07 1u04 s ASP 138 Cb 0.09 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.74 1u04 s ASP 138 CO 0.20 0.01 -0.11 -0.36 0.21 0.00 0.00 175.17 175.12 1u04 s PHE 139 N -2.02 2.83 -0.02 4.23 0.08 -1.26 -1.54 117.98 120.27 1u04 s PHE 139 Ca 0.31 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.07 1u04 s PHE 139 Cb -0.08 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1u04 s PHE 139 CO 0.23 0.02 -0.19 0.71 -0.10 0.00 0.00 175.22 175.88 1u04 s TYR 140 N -0.15 1.79 -0.19 0.36 2.02 0.26 -1.04 117.35 120.41 1u04 s TYR 140 Ca 0.00 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.14 1u04 s TYR 140 Cb -0.13 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1u04 s TYR 140 CO 0.03 -0.07 0.44 -1.17 -1.57 0.00 0.00 175.55 173.21 1u04 s LEU 141 N -0.33 4.17 -0.23 -1.29 2.96 -0.29 -0.82 118.68 122.84 1u04 s LEU 141 Ca 0.04 0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 54.41 1u04 s LEU 141 Cb -0.09 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1u04 s LEU 141 CO 0.00 -0.10 0.35 -0.69 -1.32 0.00 0.00 176.35 174.59 1u04 s VAL 142 N 1.31 5.22 -0.27 1.68 1.01 0.90 -1.37 120.40 128.88 1u04 s VAL 142 Ca 0.21 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 1u04 s VAL 142 Cb -0.15 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1u04 s VAL 142 CO 0.09 0.24 -0.05 -0.63 0.00 0.00 0.00 175.10 174.75 1u04 s ILE 143 N 1.49 2.78 -0.13 2.22 1.01 -0.64 -2.48 121.20 125.44 1u04 s ILE 143 Ca 0.16 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.56 1u04 s ILE 143 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1u04 s ILE 143 CO 0.08 0.05 -0.19 -2.28 0.00 0.00 0.00 174.94 172.60 1u04 s HIS 144 N 1.26 2.43 -0.14 3.97 2.46 -0.55 -4.83 115.29 119.89 1u04 s HIS 144 Ca -0.03 -1.23 -0.29 0.00 0.47 0.00 0.00 55.06 53.98 1u04 s HIS 144 Cb -0.18 -1.69 -0.01 0.00 -0.13 0.00 0.00 32.58 30.57 1u04 s HIS 144 CO -0.03 -0.58 0.99 0.42 -2.47 0.00 0.00 174.74 173.06 1u04 s ILE 145 N 0.92 4.77 0.38 0.89 1.01 -1.26 0.06 121.20 127.97 1u04 s ILE 145 Ca -0.06 1.99 0.04 0.00 0.00 0.00 0.00 60.65 62.62 1u04 s ILE 145 Cb -0.15 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 1u04 s ILE 145 CO -0.03 -0.03 0.13 0.27 0.00 0.00 0.00 174.94 175.28 1u04 s ILE 146 N 2.28 0.62 -0.01 2.92 -4.36 -0.44 -4.96 121.20 117.25 1u04 s ILE 146 Ca 0.46 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1u04 s ILE 146 Cb -0.17 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1u04 s ILE 146 CO 0.15 0.00 0.02 -1.00 0.24 0.00 0.00 174.94 174.34 1u04 s HIS 147 N -3.29 0.00 0.01 1.37 3.76 -1.26 -1.70 115.29 114.18 1u04 s HIS 147 Ca 0.28 0.00 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 1u04 s HIS 147 Cb 0.04 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 1u04 s HIS 147 CO 0.15 -0.03 -0.02 -0.65 -0.85 0.00 0.00 174.74 173.35 1u04 s GLN 148 N -0.13 2.69 -0.24 1.40 1.11 -0.30 -0.95 119.66 123.23 1u04 s GLN 148 Ca -0.02 -0.67 -0.00 0.00 0.01 0.00 0.00 55.36 54.68 1u04 s GLN 148 Cb -0.01 -2.61 0.03 0.00 -1.01 0.00 0.00 33.01 29.41 1u04 s GLN 148 CO -0.00 0.61 -0.09 0.42 0.01 0.00 0.00 175.29 176.24 1u04 s ILE 149 N -1.09 2.61 -0.10 1.08 1.01 0.52 0.08 121.20 125.31 1u04 s ILE 149 Ca 0.20 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1u04 s ILE 149 Cb -0.11 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1u04 s ILE 149 CO 0.10 0.21 -0.19 -1.58 0.00 0.00 0.00 174.94 173.49 1u04 s GLN 150 N 1.28 2.56 0.00 2.79 0.74 -0.07 -0.56 119.66 126.39 1u04 s GLN 150 Ca -0.01 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1u04 s GLN 150 Cb -0.17 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 31.91 1u04 s GLN 150 CO -0.06 0.05 0.00 0.45 -0.55 0.00 0.00 175.29 175.18 1u04 n SER 151 N 3.86 -0.16 0.00 6.67 2.88 -0.53 -0.53 113.62 125.81 1u04 n SER 151 Ca -0.20 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1u04 n SER 151 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1u04 n SER 151 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u04 n LYS 153 N -0.20 0.00 -1.15 -1.46 5.02 -1.26 -4.75 118.16 114.36 1u04 n LYS 153 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1u04 n LYS 153 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.13 1u04 n LYS 153 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1u04 s THR 154 N 0.00 2.32 0.26 -0.18 -4.23 -1.26 -4.53 115.64 108.02 1u04 s THR 154 Ca 0.00 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1u04 s THR 154 Cb 0.00 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.59 1u04 s THR 154 CO 0.00 -0.11 1.87 0.25 -0.54 0.00 0.00 174.62 176.09 1u04 h LEU 155 N -0.95 0.98 -0.32 4.79 5.85 0.15 -0.22 115.31 125.59 1u04 h LEU 155 Ca -0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1u04 h LEU 155 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1u04 h LEU 155 CO 0.47 0.63 0.17 -0.25 -0.34 0.00 0.00 178.44 179.12 1u04 h TRP 156 N 1.12 0.44 -0.67 1.25 -0.00 -0.68 -2.56 115.95 114.84 1u04 h TRP 156 Ca 0.41 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 59.22 1u04 h TRP 156 Cb 0.15 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 29.14 1u04 h TRP 156 CO -0.01 0.35 0.15 0.93 -0.00 0.00 0.00 178.44 179.86 1u04 h GLU 157 N 0.39 1.08 -0.88 2.65 4.39 -1.68 -0.73 114.58 119.81 1u04 h GLU 157 Ca 0.11 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1u04 h GLU 157 Cb 0.06 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 1u04 h GLU 157 CO -0.02 0.96 0.58 -0.07 -1.16 0.00 0.00 179.01 179.30 1u04 h LEU 158 N 1.02 0.93 -2.08 1.33 3.38 -0.77 -1.79 115.31 117.32 1u04 h LEU 158 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1u04 h LEU 158 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1u04 h LEU 158 CO 0.00 0.63 0.00 1.33 0.09 0.00 0.00 178.44 180.49 1u04 n VAL 159 N -4.45 1.04 -3.58 1.22 0.24 -0.99 -4.92 118.33 106.88 1u04 n VAL 159 Ca 0.12 -0.74 -0.23 0.00 -2.04 0.00 0.00 64.34 61.46 1u04 n VAL 159 Cb 0.13 0.10 0.08 0.00 -1.47 0.00 0.00 33.84 32.67 1u04 n VAL 159 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u04 n ASN 160 N 0.75 -5.10 -2.77 -1.34 3.02 -0.67 -2.61 115.26 106.54 1u04 n ASN 160 Ca 0.17 -0.58 -0.11 0.00 -0.03 0.00 0.00 54.58 54.02 1u04 n ASN 160 Cb 0.56 -4.97 -0.01 0.00 -0.61 0.00 0.00 39.78 34.76 1u04 n ASN 160 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u04 n LYS 161 N -4.76 -2.65 -3.77 3.52 5.02 -0.29 -4.91 118.16 110.32 1u04 n LYS 161 Ca -0.07 0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 1u04 n LYS 161 Cb 0.59 -4.88 -0.13 0.00 -0.02 0.00 0.00 35.03 30.59 1u04 n LYS 161 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1u04 s ASP 162 N -2.22 5.16 0.35 4.39 2.15 -1.07 -4.96 116.67 120.46 1u04 s ASP 162 Ca 0.13 -0.88 0.10 0.00 0.43 0.00 0.00 52.55 52.33 1u04 s ASP 162 Cb -0.07 -1.87 0.85 0.00 -0.30 0.00 0.00 42.92 41.53 1u04 s ASP 162 CO 0.16 -0.24 1.82 -0.65 -0.17 0.00 0.00 175.17 176.09 1u04 h PRO 163 N 8.22 0.64 -2.33 4.34 0.11 -1.89 -1.56 132.00 139.52 1u04 h PRO 163 Ca -0.28 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.15 1u04 h PRO 163 Cb 1.11 -0.14 -0.15 0.00 0.11 0.00 0.00 31.00 31.92 1u04 h PRO 163 CO 0.60 0.42 1.49 1.17 -0.21 0.00 0.00 178.00 181.47 1u04 n LYS 164 N -4.64 3.65 0.00 1.05 0.00 -1.26 -2.88 118.16 114.08 1u04 n LYS 164 Ca 0.21 -3.00 0.00 0.00 0.00 0.00 0.00 58.31 55.52 1u04 n LYS 164 Cb 0.59 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 33.21 1u04 n LYS 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1u04 n GLU 165 N 1.30 0.00 0.01 1.64 2.13 -0.79 -4.90 120.64 120.04 1u04 n GLU 165 Ca 0.56 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.25 1u04 n GLU 165 Cb 0.38 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.00 1u04 n GLU 165 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1u04 h LEU 166 N 0.00 -0.05 -1.50 4.31 6.46 -1.19 -1.46 115.31 121.88 1u04 h LEU 166 Ca 0.00 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1u04 h LEU 166 Cb 0.00 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1u04 h LEU 166 CO 0.00 0.41 0.13 -0.08 -0.62 0.00 0.00 178.44 178.28 1u04 h GLU 167 N -0.53 0.46 -0.50 1.25 4.81 -1.81 -1.23 114.58 117.04 1u04 h GLU 167 Ca -0.01 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1u04 h GLU 167 Cb 0.48 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1u04 h GLU 167 CO 0.01 0.39 -0.05 0.93 -0.73 0.00 0.00 179.01 179.56 1u04 h GLU 168 N 0.47 0.92 0.61 1.92 5.08 -1.82 -3.14 114.58 118.62 1u04 h GLU 168 Ca 0.12 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1u04 h GLU 168 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1u04 h GLU 168 CO -0.01 0.97 -0.32 0.35 -1.00 0.00 0.00 179.01 179.00 1u04 h PHE 169 N 0.78 -0.82 0.00 4.33 3.57 -0.29 -2.04 116.94 122.48 1u04 h PHE 169 Ca 0.14 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1u04 h PHE 169 Cb 0.59 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1u04 h PHE 169 CO 0.04 -0.50 0.00 1.28 -2.23 0.00 0.00 178.31 176.90 1u04 n LEU 170 N -5.46 0.00 0.00 0.59 4.32 -0.56 -1.61 117.00 114.27 1u04 n LEU 170 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1u04 n LEU 170 Cb 0.35 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1u04 n LEU 170 CO 0.37 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.89 1u04 n THR 172 N 0.23 0.00 -0.44 -5.08 -2.24 -0.77 -1.47 114.28 104.51 1u04 n THR 172 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1u04 n THR 172 Cb 0.00 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.57 1u04 n THR 172 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1u04 n HIS 173 N 0.00 1.23 -0.29 4.78 8.25 -0.64 -4.68 115.22 123.88 1u04 n HIS 173 Ca 0.00 -0.54 0.06 0.00 -0.26 0.00 0.00 57.72 56.98 1u04 n HIS 173 Cb 0.00 -0.12 0.16 0.00 1.12 0.00 0.00 29.99 31.14 1u04 n HIS 173 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1u04 h LYS 174 N 4.15 0.04 -0.29 -0.41 3.64 -1.48 0.93 116.57 123.15 1u04 h LYS 174 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1u04 h LYS 174 Cb 1.21 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1u04 h LYS 174 CO 0.12 0.03 0.12 0.93 -2.27 0.00 0.00 179.45 178.37 1u04 h GLU 175 N 0.04 0.40 0.00 1.90 4.39 -1.88 -3.33 114.58 116.11 1u04 h GLU 175 Ca 0.44 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1u04 h GLU 175 Cb 0.76 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1u04 h GLU 175 CO -0.79 0.33 -0.13 0.09 -1.16 0.00 0.00 179.01 177.36 1u04 n ASN 176 N -4.42 0.63 -4.58 1.42 3.02 -0.98 -5.16 115.26 105.19 1u04 n ASN 176 Ca 0.01 -0.39 -0.28 0.00 -0.03 0.00 0.00 54.58 53.89 1u04 n ASN 176 Cb 0.13 0.90 0.22 0.00 -0.61 0.00 0.00 39.78 40.42 1u04 n ASN 176 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1u04 s LEU 177 N -1.93 1.17 -0.29 3.41 2.96 0.28 -4.72 118.68 119.56 1u04 s LEU 177 Ca 0.00 1.34 -0.14 0.00 -0.22 0.00 0.00 54.13 55.11 1u04 s LEU 177 Cb 0.00 -3.38 0.11 0.00 0.50 0.00 0.00 46.19 43.43 1u04 s LEU 177 CO 0.00 -3.72 0.74 -0.76 -1.32 0.00 0.00 176.35 171.30 1u04 s LEU 179 N -6.87 -0.92 -0.23 -0.68 1.43 0.36 -4.58 118.68 107.19 1u04 s LEU 179 Ca 0.67 1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 55.05 1u04 s LEU 179 Cb -0.22 2.21 -0.05 0.00 0.03 0.00 0.00 46.19 48.17 1u04 s LEU 179 CO 0.61 -0.21 0.13 -0.75 0.23 0.00 0.00 176.35 176.36 1u04 s LYS 180 N 2.06 3.99 -1.05 1.70 2.20 -0.14 0.48 119.74 128.97 1u04 s LYS 180 Ca -0.08 -0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 55.00 1u04 s LYS 180 Cb -0.07 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 1u04 s LYS 180 CO -0.19 0.06 1.45 0.34 -0.36 0.00 0.00 175.35 176.65 1u04 s ASP 181 N 1.03 6.57 0.00 1.43 3.68 -0.55 -1.34 116.67 127.50 1u04 s ASP 181 Ca 0.06 -1.67 0.19 0.00 2.13 0.00 0.00 52.55 53.25 1u04 s ASP 181 Cb -0.14 -2.55 0.85 0.00 -1.45 0.00 0.00 42.92 39.64 1u04 s ASP 181 CO 0.04 -1.40 1.58 2.30 0.13 0.00 0.00 175.17 177.82 1u04 n ILE 182 N 6.63 0.62 1.51 4.11 -5.35 -1.11 -1.81 119.36 123.96 1u04 n ILE 182 Ca 0.34 0.15 0.10 0.00 -0.27 0.00 0.00 62.75 63.08 1u04 n ILE 182 Cb 0.50 -0.84 0.45 0.00 -1.74 0.00 0.00 39.64 38.01 1u04 n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u04 n ALA 183 N -1.42 2.55 -2.43 -1.28 0.00 -1.20 -4.80 120.51 111.94 1u04 n ALA 183 Ca 0.06 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 1u04 n ALA 183 Cb 0.19 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 1u04 n ALA 183 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u04 s SER 184 N -1.59 3.71 0.36 0.00 0.15 -0.75 -4.96 113.70 110.62 1u04 s SER 184 Ca 0.31 -0.37 0.27 0.00 0.70 0.00 0.00 55.95 56.86 1u04 s SER 184 Cb 0.16 -0.62 1.20 0.00 -1.71 0.00 0.00 66.02 65.05 1u04 s SER 184 CO 0.25 0.29 1.81 1.55 1.20 0.00 0.00 173.24 178.34 1u04 h PRO 185 N 4.96 0.00 -0.00 5.44 0.13 -1.87 -2.31 132.00 138.35 1u04 h PRO 185 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1u04 h PRO 185 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1u04 h PRO 185 CO 0.48 0.00 -0.63 1.28 -0.23 0.00 0.00 178.00 178.90 1u04 n LEU 186 N -2.48 1.06 -3.58 1.56 4.77 -1.26 -4.96 117.00 112.10 1u04 n LEU 186 Ca 0.01 -0.36 -0.26 0.00 -0.03 0.00 0.00 56.01 55.37 1u04 n LEU 186 Cb 0.20 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1u04 n LEU 186 CO 0.20 0.23 -0.04 0.29 -1.33 0.00 0.00 177.39 176.73 1u04 n LYS 187 N -1.07 -3.05 -1.67 3.23 4.01 -0.87 -4.82 118.16 113.93 1u04 n LYS 187 Ca 0.07 0.38 -0.44 0.00 -0.51 0.00 0.00 58.31 57.81 1u04 n LYS 187 Cb 0.36 -5.06 -0.02 0.00 -0.51 0.00 0.00 35.03 29.80 1u04 n LYS 187 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1u04 n THR 188 N -3.92 1.41 -3.82 -0.18 -1.04 -1.26 -4.46 114.28 101.00 1u04 n THR 188 Ca 0.02 -0.35 -0.37 0.00 -2.04 0.00 0.00 64.05 61.31 1u04 n THR 188 Cb 0.52 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.55 1u04 n THR 188 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1u04 s VAL 189 N -0.52 5.46 0.27 12.58 1.01 -1.26 -1.47 120.40 136.47 1u04 s VAL 189 Ca 0.63 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1u04 s VAL 189 Cb -0.64 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1u04 s VAL 189 CO 0.55 0.58 -0.03 -0.31 0.00 0.00 0.00 175.10 175.89 1u04 s TYR 190 N -0.74 1.82 -0.19 5.22 2.02 0.18 -1.75 117.35 123.91 1u04 s TYR 190 Ca 0.14 -0.80 0.01 0.00 -0.37 0.00 0.00 57.07 56.05 1u04 s TYR 190 Cb -0.12 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1u04 s TYR 190 CO 0.03 0.14 -0.17 0.15 -1.57 0.00 0.00 175.55 174.14 1u04 s LYS 191 N -3.79 2.67 0.30 -0.62 1.02 -0.03 -0.49 119.74 118.80 1u04 s LYS 191 Ca 0.30 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 1u04 s LYS 191 Cb 0.05 -2.55 -0.11 0.00 -0.52 0.00 0.00 37.83 34.71 1u04 s LYS 191 CO 0.11 -0.30 1.48 -1.25 -0.92 0.00 0.00 175.35 174.48 1u04 s PRO 192 N 1.30 4.20 0.42 -1.68 0.04 -1.26 -2.06 135.00 135.95 1u04 s PRO 192 Ca 0.02 2.44 -0.22 0.00 0.04 0.00 0.00 61.00 63.28 1u04 s PRO 192 Cb -0.15 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 1u04 s PRO 192 CO -0.11 -0.48 0.98 0.00 0.04 0.00 0.00 177.00 177.42 1u04 s PHE 194 N -2.00 1.51 -0.31 0.00 0.08 -1.26 -1.69 117.98 114.31 1u04 s PHE 194 Ca 0.61 -0.49 -0.28 0.00 0.12 0.00 0.00 56.93 56.89 1u04 s PHE 194 Cb -0.13 -0.80 -0.06 0.00 -0.57 0.00 0.00 43.02 41.45 1u04 s PHE 194 CO 0.17 0.17 2.28 -1.91 -0.10 0.00 0.00 175.22 175.84 1u04 n GLU 195 N 0.79 1.63 -1.18 0.44 4.07 0.25 -4.80 120.64 121.84 1u04 n GLU 195 Ca -0.17 0.36 -0.44 0.00 -0.06 0.00 0.00 57.16 56.85 1u04 n GLU 195 Cb 0.56 -3.24 -0.05 0.00 -0.06 0.00 0.00 31.44 28.65 1u04 n GLU 195 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1u04 n GLU 196 N 8.80 0.00 -1.34 5.31 2.13 -1.26 -0.41 120.64 133.87 1u04 n GLU 196 Ca 0.33 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.03 1u04 n GLU 196 Cb 0.46 -1.03 -0.05 0.00 0.27 0.00 0.00 31.44 31.09 1u04 n GLU 196 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1u04 n TYR 197 N 0.66 0.00 -4.25 4.31 4.01 -1.26 -4.95 117.16 115.68 1u04 n TYR 197 Ca 0.15 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.71 1u04 n TYR 197 Cb 0.13 -2.51 -0.07 0.00 -0.31 0.00 0.00 39.34 36.57 1u04 n TYR 197 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1u04 s THR 198 N -2.19 0.00 -1.28 -0.72 2.01 0.45 -4.72 115.64 109.19 1u04 s THR 198 Ca 0.00 -1.93 0.13 0.00 0.31 0.00 0.00 61.69 60.20 1u04 s THR 198 Cb 0.00 -2.53 0.27 0.00 0.01 0.00 0.00 72.50 70.25 1u04 s THR 198 CO 0.00 0.00 1.17 0.29 -0.69 0.00 0.00 174.62 175.39 1u04 n LYS 199 N -0.61 2.14 -2.46 4.92 5.02 -1.26 -4.56 118.16 121.35 1u04 n LYS 199 Ca 0.06 -1.85 -0.43 0.00 -2.02 0.00 0.00 58.31 54.08 1u04 n LYS 199 Cb 0.62 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 1u04 n LYS 199 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u04 s LYS 200 N -1.03 4.18 0.44 1.97 2.20 -1.26 -4.90 119.74 121.34 1u04 s LYS 200 Ca 0.23 1.54 -0.23 0.00 -0.36 0.00 0.00 55.97 57.15 1u04 s LYS 200 Cb 0.13 -3.77 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 1u04 s LYS 200 CO 0.18 -0.77 1.09 -1.25 -0.36 0.00 0.00 175.35 174.23 1u04 s PRO 201 N 3.58 3.95 -0.80 4.03 0.04 -1.26 0.87 135.00 145.40 1u04 s PRO 201 Ca 0.53 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 1u04 s PRO 201 Cb -0.20 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 31.98 1u04 s PRO 201 CO 0.15 -0.34 1.28 0.15 0.04 0.00 0.00 177.00 178.28 1u04 s LYS 202 N -2.70 3.28 0.30 4.56 1.02 -0.68 -4.72 119.74 120.80 1u04 s LYS 202 Ca 0.62 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 56.15 1u04 s LYS 202 Cb -0.23 -4.47 -0.04 0.00 -0.52 0.00 0.00 37.83 32.56 1u04 s LYS 202 CO 0.29 -2.12 0.03 -0.51 -0.92 0.00 0.00 175.35 172.12 1u04 s LEU 203 N 5.31 3.16 -0.18 3.17 1.43 -1.26 -1.29 118.68 129.02 1u04 s LEU 203 Ca 0.36 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1u04 s LEU 203 Cb -0.07 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1u04 s LEU 203 CO 0.08 -0.12 0.38 -1.81 0.23 0.00 0.00 176.35 175.11 1u04 s ASP 204 N -3.72 -0.12 0.00 2.29 1.01 -0.81 -4.94 116.67 110.39 1u04 s ASP 204 Ca 0.34 0.88 0.14 0.00 0.71 0.00 0.00 52.55 54.62 1u04 s ASP 204 Cb -0.04 1.14 0.64 0.00 1.01 0.00 0.00 42.92 45.67 1u04 s ASP 204 CO 0.20 -0.23 1.44 1.41 0.21 0.00 0.00 175.17 178.21 1u04 n HIS 205 N 5.30 0.15 -1.64 4.23 8.25 -1.26 -0.07 115.22 130.19 1u04 n HIS 205 Ca -0.09 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 1u04 n HIS 205 Cb 0.50 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 1u04 n HIS 205 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1u04 s ASN 206 N -1.36 5.40 0.66 0.41 3.84 -1.26 -4.84 114.94 117.79 1u04 s ASN 206 Ca 0.23 1.77 0.42 0.00 0.21 0.00 0.00 52.86 55.49 1u04 s ASN 206 Cb 0.12 -2.51 2.30 0.00 -0.55 0.00 0.00 41.25 40.61 1u04 s ASN 206 CO 0.18 -2.02 2.31 1.56 -2.79 0.00 0.00 177.10 176.33 1u04 h GLN 207 N 15.29 0.00 -0.16 0.43 4.20 -1.89 -1.90 115.11 131.07 1u04 h GLN 207 Ca -0.39 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.16 1u04 h GLN 207 Cb 1.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 1u04 h GLN 207 CO 0.98 0.00 -0.54 0.93 -0.67 0.00 0.00 178.83 179.54 1u04 h GLU 208 N 0.00 0.66 -0.21 1.46 4.39 -1.98 -1.07 114.58 117.82 1u04 h GLU 208 Ca 0.00 -0.48 0.01 0.00 0.34 0.00 0.00 59.36 59.23 1u04 h GLU 208 Cb 0.10 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1u04 h GLU 208 CO -0.00 1.10 0.11 0.82 -1.16 0.00 0.00 179.01 179.88 1u04 h ILE 209 N 0.33 1.00 0.21 3.13 2.04 -1.74 -0.17 117.51 122.31 1u04 h ILE 209 Ca -0.02 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1u04 h ILE 209 Cb 1.16 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1u04 h ILE 209 CO 0.11 0.04 -0.14 0.58 0.00 0.00 0.00 178.15 178.75 1u04 h VAL 210 N 0.23 0.71 -0.22 1.67 2.07 -1.50 -1.88 116.25 117.33 1u04 h VAL 210 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1u04 h VAL 210 Cb 0.02 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1u04 h VAL 210 CO -0.06 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.04 1u04 h LYS 211 N -0.34 0.08 0.26 1.57 1.63 -1.05 -1.17 116.57 117.54 1u04 h LYS 211 Ca -0.02 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1u04 h LYS 211 Cb 0.29 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1u04 h LYS 211 CO 0.02 0.05 -0.36 -0.92 -3.45 0.00 0.00 179.45 174.78 1u04 h TYR 212 N 0.08 -1.00 0.00 1.91 3.20 -0.86 0.18 116.97 120.48 1u04 h TYR 212 Ca 0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1u04 h TYR 212 Cb 0.12 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1u04 h TYR 212 CO -0.18 -0.49 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.07 1u04 h TRP 213 N -0.68 0.00 -0.05 -3.82 4.06 -1.30 0.20 115.95 114.35 1u04 h TRP 213 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1u04 h TRP 213 Cb 0.65 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1u04 h TRP 213 CO -0.26 0.29 -0.04 -0.92 -3.56 0.00 0.00 178.44 173.95 1u04 h TYR 214 N 0.00 0.15 -0.34 0.49 3.20 -0.94 -2.99 116.97 116.54 1u04 h TYR 214 Ca -0.00 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1u04 h TYR 214 Cb 0.69 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1u04 h TYR 214 CO 0.00 0.55 0.03 -0.97 -1.64 0.00 0.00 178.16 176.13 1u04 h ASN 215 N -0.30 0.48 -0.66 -2.11 -0.73 -0.70 -2.84 115.58 108.71 1u04 h ASN 215 Ca 0.01 -0.08 0.11 0.00 1.87 0.00 0.00 56.30 58.21 1u04 h ASN 215 Cb 0.52 -0.12 -0.08 0.00 0.27 0.00 0.00 38.32 38.91 1u04 h ASN 215 CO 0.01 0.53 0.26 0.22 -0.37 0.00 0.00 177.43 178.08 1u04 h TYR 216 N 0.50 0.46 -0.42 0.67 3.20 -0.47 -1.16 116.97 119.75 1u04 h TYR 216 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1u04 h TYR 216 Cb 0.28 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1u04 h TYR 216 CO 0.01 0.11 0.28 0.45 -1.64 0.00 0.00 178.16 177.37 1u04 h HIS 217 N 0.45 0.53 0.18 -3.82 3.86 -1.38 -1.78 115.15 113.18 1u04 h HIS 217 Ca 0.34 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1u04 h HIS 217 Cb 0.44 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1u04 h HIS 217 CO -0.16 0.33 -0.09 0.82 0.86 0.00 0.00 177.93 179.70 1u04 h ILE 218 N 0.57 0.89 -0.41 2.45 2.04 -1.46 0.13 117.51 121.72 1u04 h ILE 218 Ca 0.15 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1u04 h ILE 218 Cb -0.07 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1u04 h ILE 218 CO -0.03 0.08 0.10 -0.33 0.00 0.00 0.00 178.15 177.97 1u04 h GLU 219 N -0.42 0.24 0.00 2.37 4.39 -1.17 -1.49 114.58 118.50 1u04 h GLU 219 Ca -0.03 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1u04 h GLU 219 Cb 0.32 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1u04 h GLU 219 CO 0.04 0.16 -0.98 -0.09 -1.16 0.00 0.00 179.01 176.98 1u04 h ARG 220 N 0.24 0.00 0.00 2.33 9.65 -1.34 -3.39 114.38 121.87 1u04 h ARG 220 Ca 0.19 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.01 1u04 h ARG 220 Cb 0.22 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1u04 h ARG 220 CO -0.23 0.59 -1.23 0.66 2.80 0.00 0.00 179.97 182.56 1u04 n TYR 221 N -3.16 0.00 -2.51 2.20 4.01 0.45 -4.85 117.16 113.30 1u04 n TYR 221 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1u04 n TYR 221 Cb 0.85 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 39.73 1u04 n TYR 221 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1u04 n TRP 222 N -2.37 2.68 -0.98 -0.72 7.02 -0.63 -4.95 117.44 117.49 1u04 n TRP 222 Ca -0.06 -2.95 -0.21 0.00 -1.02 0.00 0.00 57.50 53.26 1u04 n TRP 222 Cb 0.59 -0.18 -0.09 0.00 -2.42 0.00 0.00 31.31 29.21 1u04 n TRP 222 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1u04 n ASN 223 N -0.38 5.91 -3.78 -0.99 2.85 -0.81 -3.42 115.26 114.64 1u04 n ASN 223 Ca 0.30 -2.41 -0.13 0.00 -0.11 0.00 0.00 54.58 52.23 1u04 n ASN 223 Cb 0.73 -1.31 -0.10 0.00 1.24 0.00 0.00 39.78 40.34 1u04 n ASN 223 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1u04 s THR 224 N 1.89 0.03 0.29 -0.44 -4.23 -1.26 -5.02 115.64 106.89 1u04 s THR 224 Ca 0.59 -0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1u04 s THR 224 Cb 0.22 -0.47 0.29 0.00 1.34 0.00 0.00 72.50 73.88 1u04 s THR 224 CO -0.02 -0.12 1.68 -0.65 -0.54 0.00 0.00 174.62 174.97 1u04 h PRO 225 N 4.99 0.34 -0.11 3.99 0.11 -1.98 0.54 132.00 139.88 1u04 h PRO 225 Ca -0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1u04 h PRO 225 Cb 1.19 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u04 h PRO 225 CO 0.36 0.23 -0.10 0.93 -0.21 0.00 0.00 178.00 179.21 1u04 h GLU 226 N 0.35 0.26 -0.47 1.05 5.08 -1.96 -1.60 114.58 117.28 1u04 h GLU 226 Ca 0.57 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.71 1u04 h GLU 226 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1u04 h GLU 226 CO -0.56 0.66 -0.06 0.00 -1.00 0.00 0.00 179.01 178.05 1u04 h ALA 227 N 0.59 1.00 -0.81 3.43 0.00 -1.60 -2.28 119.26 119.59 1u04 h ALA 227 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1u04 h ALA 227 Cb 0.61 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1u04 h ALA 227 CO 0.02 0.61 0.39 0.87 0.00 0.00 0.00 179.25 181.14 1u04 h LYS 228 N 0.76 1.16 -0.30 0.00 1.57 0.08 0.00 116.57 119.84 1u04 h LYS 228 Ca 0.13 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1u04 h LYS 228 Cb 0.55 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1u04 h LYS 228 CO 0.03 0.89 0.07 1.25 -0.57 0.00 0.00 179.45 181.13 1u04 h LEU 229 N 1.14 0.46 -0.52 2.94 6.46 -1.02 -1.37 115.31 123.40 1u04 h LEU 229 Ca 0.28 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1u04 h LEU 229 Cb 0.12 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1u04 h LEU 229 CO -0.04 0.57 0.21 -0.08 -0.62 0.00 0.00 178.44 178.49 1u04 h GLU 230 N 0.33 0.77 -0.26 1.25 4.81 -1.13 0.43 114.58 120.78 1u04 h GLU 230 Ca 0.09 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1u04 h GLU 230 Cb 0.29 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1u04 h GLU 230 CO 0.00 0.68 -0.04 0.35 -0.73 0.00 0.00 179.01 179.27 1u04 h PHE 231 N 0.70 -0.08 0.00 0.92 3.57 -0.82 0.27 116.94 121.50 1u04 h PHE 231 Ca 0.17 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1u04 h PHE 231 Cb 0.19 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1u04 h PHE 231 CO 0.00 -0.08 -0.36 1.88 -2.23 0.00 0.00 178.31 177.52 1u04 h TYR 232 N 0.03 0.00 -0.31 0.41 0.05 -0.95 0.16 116.97 116.36 1u04 h TYR 232 Ca 0.13 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.78 1u04 h TYR 232 Cb 0.18 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 1u04 h TYR 232 CO -0.24 0.36 -0.30 0.00 -1.05 0.00 0.00 178.16 176.94 1u04 h ARG 233 N 0.00 0.75 -0.00 4.88 3.08 0.27 0.95 114.38 124.30 1u04 h ARG 233 Ca -0.00 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1u04 h ARG 233 Cb 0.66 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1u04 h ARG 233 CO 0.05 1.02 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.71 1u04 h LYS 234 N 0.51 0.03 0.00 0.04 3.64 -0.18 -3.39 116.57 117.22 1u04 h LYS 234 Ca 0.05 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1u04 h LYS 234 Cb 0.87 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1u04 h LYS 234 CO 0.07 0.76 -1.95 1.19 -2.27 0.00 0.00 179.45 177.25 1u04 n PHE 235 N -4.70 0.00 -0.04 1.91 3.72 0.53 -5.10 117.46 113.77 1u04 n PHE 235 Ca -0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.31 1u04 n PHE 235 Cb 0.38 -0.53 -0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1u04 n PHE 235 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u04 n GLY 236 N 1.54 -1.77 3.71 1.37 0.00 0.33 -4.91 105.19 105.45 1u04 n GLY 236 Ca -0.09 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1u04 n GLY 236 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u04 s GLN 237 N -1.76 1.66 0.26 1.61 -0.21 -1.26 -4.78 119.66 115.18 1u04 s GLN 237 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 55.36 56.68 1u04 s GLN 237 Cb 0.00 -1.79 -0.13 0.00 1.00 0.00 0.00 33.01 32.08 1u04 s GLN 237 CO 0.00 -2.16 1.38 0.28 -2.12 0.00 0.00 175.29 172.66 1u04 n VAL 238 N -3.46 1.18 -3.62 1.09 0.31 -1.26 -4.95 118.33 107.61 1u04 n VAL 238 Ca 0.12 -0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 1u04 n VAL 238 Cb 0.51 -1.49 -0.11 0.00 -0.91 0.00 0.00 33.84 31.84 1u04 n VAL 238 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1u04 s ASP 239 N 0.16 5.66 0.02 4.52 3.68 -1.26 -4.94 116.67 124.50 1u04 s ASP 239 Ca 0.65 -0.95 0.23 0.00 2.13 0.00 0.00 52.55 54.61 1u04 s ASP 239 Cb -0.63 -2.00 0.98 0.00 -1.45 0.00 0.00 42.92 39.81 1u04 s ASP 239 CO 0.52 -0.36 1.74 0.18 0.13 0.00 0.00 175.17 177.39 1u04 n LEU 240 N 4.97 0.07 0.03 -1.34 4.77 -1.26 -3.07 117.00 121.18 1u04 n LEU 240 Ca -0.12 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1u04 n LEU 240 Cb 0.46 -0.49 0.50 0.00 -2.33 0.00 0.00 43.42 41.56 1u04 n LEU 240 CO 0.36 -0.12 0.85 0.29 -1.33 0.00 0.00 177.39 177.43 1u04 n LYS 241 N -1.57 0.08 -2.97 3.23 5.02 -1.26 -4.78 118.16 115.90 1u04 n LYS 241 Ca 0.05 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 1u04 n LYS 241 Cb 0.28 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1u04 n LYS 241 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1u04 s GLN 242 N -3.03 4.57 0.56 1.97 -2.07 -1.17 -4.80 119.66 115.68 1u04 s GLN 242 Ca 0.12 1.16 -0.05 0.00 -1.82 0.00 0.00 55.36 54.77 1u04 s GLN 242 Cb 0.17 -3.24 -0.00 0.00 -1.09 0.00 0.00 33.01 28.85 1u04 s GLN 242 CO 0.58 0.56 0.87 -1.25 -1.32 0.00 0.00 175.29 174.72 1u04 s PRO 243 N -1.20 3.06 0.10 9.60 0.04 -1.26 -4.89 135.00 140.44 1u04 s PRO 243 Ca 0.36 0.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.30 1u04 s PRO 243 Cb -0.23 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 1u04 s PRO 243 CO 0.26 -0.58 0.47 0.00 0.04 0.00 0.00 177.00 177.19 1u04 s ALA 244 N -2.92 3.66 -0.30 8.56 0.00 0.90 -4.52 121.76 127.13 1u04 s ALA 244 Ca 0.52 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 1u04 s ALA 244 Cb -0.10 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1u04 s ALA 244 CO 0.45 0.51 0.15 0.42 0.00 0.00 0.00 175.76 177.29 1u04 s ILE 245 N -1.38 4.73 -0.12 0.00 1.01 0.15 -1.92 121.20 123.68 1u04 s ILE 245 Ca 0.34 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1u04 s ILE 245 Cb -0.15 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1u04 s ILE 245 CO 0.18 0.13 1.07 -0.22 0.00 0.00 0.00 174.94 176.10 1u04 s LEU 246 N 1.65 4.23 0.00 2.97 2.96 -0.41 -0.44 118.68 129.63 1u04 s LEU 246 Ca 0.05 1.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 1u04 s LEU 246 Cb -0.17 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1u04 s LEU 246 CO 0.07 -0.53 0.21 0.00 -1.32 0.00 0.00 176.35 174.78 1u04 n ALA 247 N 5.33 0.12 -2.48 5.97 0.00 0.24 -0.05 120.51 129.64 1u04 n ALA 247 Ca 0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 1u04 n ALA 247 Cb 0.48 0.81 -0.08 0.00 0.00 0.00 0.00 19.45 20.65 1u04 n ALA 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1u04 s LYS 248 N -2.61 0.99 0.45 0.00 -2.85 -0.87 0.19 119.74 115.04 1u04 s LYS 248 Ca 0.19 -1.22 -0.25 0.00 -1.00 0.00 0.00 55.97 53.70 1u04 s LYS 248 Cb 0.00 0.32 -0.08 0.00 -2.06 0.00 0.00 37.83 36.01 1u04 s LYS 248 CO 0.14 -0.32 1.41 1.19 0.10 0.00 0.00 175.35 177.86 1u04 n PHE 249 N -0.13 2.61 0.05 1.78 3.72 -1.26 -0.85 117.46 123.38 1u04 n PHE 249 Ca -0.09 0.45 -0.11 0.00 -0.05 0.00 0.00 57.45 57.65 1u04 n PHE 249 Cb 0.63 -2.45 -0.13 0.00 -0.94 0.00 0.00 39.48 36.59 1u04 n PHE 249 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u04 h ALA 250 N 2.24 0.37 -3.00 4.37 0.00 -1.63 -3.42 119.26 118.18 1u04 h ALA 250 Ca -0.50 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.36 1u04 h ALA 250 Cb 1.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1u04 h ALA 250 CO 0.61 1.24 0.00 -1.13 0.00 0.00 0.00 179.25 179.97 1u04 n SER 251 N -3.35 0.00 0.00 0.00 3.41 -1.26 -5.01 113.62 107.41 1u04 n SER 251 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1u04 n SER 251 Cb 1.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1u04 n SER 251 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u04 n LYS 252 N 0.00 0.00 0.00 4.33 5.02 -1.26 -5.18 118.16 121.07 1u04 n LYS 252 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1u04 n LYS 252 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1u04 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u04 n ASN 258 N 8.48 0.00 0.09 4.39 4.05 -1.26 -5.27 115.26 125.75 1u04 n ASN 258 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1u04 n ASN 258 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1u04 n ASN 258 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1u04 n TYR 259 N -1.14 -3.08 -1.76 1.20 9.36 -1.26 -5.15 117.16 115.33 1u04 n TYR 259 Ca 0.00 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.87 1u04 n TYR 259 Cb 0.00 1.85 0.00 0.00 -0.63 0.00 0.00 39.34 40.56 1u04 n TYR 259 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1u04 n LYS 260 N -2.93 -4.18 -4.42 2.98 5.02 -1.25 -5.07 118.16 108.30 1u04 n LYS 260 Ca 0.00 3.09 -0.26 0.00 -2.02 0.00 0.00 58.31 59.12 1u04 n LYS 260 Cb 0.00 -3.33 -0.11 0.00 -0.02 0.00 0.00 35.03 31.57 1u04 n LYS 260 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u04 s ILE 261 N -0.40 2.43 -0.16 -0.18 1.09 0.49 -4.90 121.20 119.56 1u04 s ILE 261 Ca 0.00 -2.09 -0.08 0.00 -1.10 0.00 0.00 60.65 57.38 1u04 s ILE 261 Cb 0.00 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.16 1u04 s ILE 261 CO 0.00 -0.18 0.13 -0.31 -0.10 0.00 0.00 174.94 174.48 1u04 s TYR 262 N -1.85 3.47 0.11 3.97 2.02 -1.26 0.83 117.35 124.64 1u04 s TYR 262 Ca 0.23 0.39 0.10 0.00 -0.37 0.00 0.00 57.07 57.41 1u04 s TYR 262 Cb -0.07 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1u04 s TYR 262 CO 0.11 0.46 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.80 1u04 s LEU 263 N -0.22 2.28 -0.29 -1.29 1.43 0.41 -4.92 118.68 116.09 1u04 s LEU 263 Ca 0.11 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1u04 s LEU 263 Cb -0.11 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1u04 s LEU 263 CO 0.01 0.16 0.08 -0.76 0.23 0.00 0.00 176.35 176.06 1u04 s LEU 264 N -1.85 3.76 0.64 1.79 1.02 -1.26 -0.68 118.68 122.09 1u04 s LEU 264 Ca 0.11 -0.62 0.25 0.00 0.02 0.00 0.00 54.13 53.90 1u04 s LEU 264 Cb -0.10 -1.88 1.31 0.00 0.02 0.00 0.00 46.19 45.54 1u04 s LEU 264 CO 0.05 -0.16 1.74 1.55 0.02 0.00 0.00 176.35 179.55 1u04 h PRO 265 N 8.23 0.00 0.00 1.29 0.13 -1.90 0.71 132.00 140.46 1u04 h PRO 265 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1u04 h PRO 265 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1u04 h PRO 265 CO 0.60 0.00 -0.04 0.37 -0.23 0.00 0.00 178.00 178.70 1u04 h GLN 266 N 0.00 0.00 -0.04 0.86 4.15 -1.93 0.28 115.11 118.43 1u04 h GLN 266 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1u04 h GLN 266 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1u04 h GLN 266 CO -0.00 0.04 0.00 1.28 -1.93 0.00 0.00 178.83 178.22 1u04 n LEU 267 N -3.13 1.76 -4.31 -2.39 4.77 0.25 -4.88 117.00 109.07 1u04 n LEU 267 Ca 0.02 -1.17 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 1u04 n LEU 267 Cb 0.44 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1u04 n LEU 267 CO 0.31 0.38 -0.51 0.68 -1.33 0.00 0.00 177.39 176.92 1u04 s VAL 268 N -0.66 1.81 0.00 4.08 -7.23 -1.05 -2.74 120.40 114.61 1u04 s VAL 268 Ca 0.09 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 58.64 1u04 s VAL 268 Cb 0.06 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 1u04 s VAL 268 CO 0.09 -0.14 -0.26 0.68 -0.31 0.00 0.00 175.10 175.16 1u04 s VAL 269 N -1.47 2.11 0.35 1.32 -7.23 -0.45 0.27 120.40 115.30 1u04 s VAL 269 Ca 0.11 -1.19 -0.28 0.00 -1.81 0.00 0.00 61.98 58.81 1u04 s VAL 269 Cb -0.08 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 1u04 s VAL 269 CO 0.05 0.51 1.25 -2.16 -0.31 0.00 0.00 175.10 174.44 1u04 s PRO 270 N -0.82 4.27 0.05 4.82 0.04 -1.26 -0.97 135.00 141.13 1u04 s PRO 270 Ca 0.11 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1u04 s PRO 270 Cb -0.10 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1u04 s PRO 270 CO 0.00 -0.20 -0.07 0.99 0.04 0.00 0.00 177.00 177.75 1u04 s THR 271 N -1.22 0.54 -0.02 1.26 2.01 -1.26 -1.45 115.64 115.51 1u04 s THR 271 Ca 0.51 -1.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1u04 s THR 271 Cb -0.36 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1u04 s THR 271 CO 0.48 -0.45 0.11 -0.31 -0.69 0.00 0.00 174.62 173.75 1u04 s TYR 272 N -1.68 0.00 -0.43 4.92 2.02 0.28 -4.63 117.35 117.83 1u04 s TYR 272 Ca -0.07 0.00 -0.24 0.00 -0.37 0.00 0.00 57.07 56.39 1u04 s TYR 272 Cb -0.08 -0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 1u04 s TYR 272 CO -0.00 -0.18 0.82 -0.80 -1.57 0.00 0.00 175.55 173.82 1u04 s ASN 273 N -0.78 6.47 0.18 2.29 0.01 -1.26 -0.36 114.94 121.50 1u04 s ASN 273 Ca -0.09 0.07 -0.15 0.00 -0.71 0.00 0.00 52.86 51.98 1u04 s ASN 273 Cb -0.05 -2.41 0.15 0.00 0.41 0.00 0.00 41.25 39.36 1u04 s ASN 273 CO 0.01 -0.91 1.66 0.00 -1.51 0.00 0.00 177.10 176.35 1u04 h ALA 274 N 8.88 0.34 0.00 0.60 0.00 -1.37 -0.70 119.26 127.01 1u04 h ALA 274 Ca -0.24 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u04 h ALA 274 Cb 1.08 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1u04 h ALA 274 CO 0.97 -0.43 0.00 0.93 0.00 0.00 0.00 179.25 180.71 1u04 h GLU 275 N 0.02 0.00 0.00 0.00 3.07 -1.92 -1.49 114.58 114.25 1u04 h GLU 275 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1u04 h GLU 275 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1u04 h GLU 275 CO -0.48 0.00 -0.44 0.94 -1.40 0.00 0.00 179.01 177.63 1u04 n GLN 276 N -2.69 0.08 0.00 2.33 7.27 -0.28 -5.18 117.38 118.91 1u04 n GLN 276 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1u04 n GLN 276 Cb 0.09 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.19 1u04 n GLN 276 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1u04 n LEU 277 N -1.67 0.00 0.00 1.69 4.77 -0.57 -5.04 117.00 116.19 1u04 n LEU 277 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1u04 n LEU 277 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1u04 n LEU 277 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 1u04 n ALA 282 N -3.00 0.00 0.15 -1.18 0.00 -1.26 -5.05 120.51 110.17 1u04 n ALA 282 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u04 n ALA 282 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1u04 n ALA 282 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1u04 n LYS 283 N 0.00 0.00 -0.18 0.00 5.02 -1.26 -4.68 118.16 117.07 1u04 n LYS 283 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1u04 n LYS 283 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1u04 n LYS 283 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u04 h GLU 284 N 0.00 1.03 0.74 1.97 5.08 -2.04 -2.72 114.58 118.64 1u04 h GLU 284 Ca 0.00 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1u04 h GLU 284 Cb 0.00 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1u04 h GLU 284 CO 0.00 1.09 -0.36 0.82 -1.00 0.00 0.00 179.01 179.56 1u04 h ILE 285 N 0.90 0.00 -0.82 3.13 2.04 -1.99 -3.00 117.51 117.77 1u04 h ILE 285 Ca 0.13 -0.13 0.23 0.00 1.00 0.00 0.00 64.86 66.09 1u04 h ILE 285 Cb 0.72 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.65 1u04 h ILE 285 CO 0.06 0.00 0.03 -0.11 0.00 0.00 0.00 178.15 178.12 1u04 n LEU 286 N -5.02 -0.09 0.08 1.44 7.94 -1.21 -0.41 117.00 119.73 1u04 n LEU 286 Ca -0.12 1.39 -0.06 0.00 -1.11 0.00 0.00 56.01 56.11 1u04 n LEU 286 Cb 0.39 -0.51 -0.04 0.00 0.53 0.00 0.00 43.42 43.79 1u04 n LEU 286 CO 0.30 -1.41 0.51 -0.33 -1.11 0.00 0.00 177.39 175.34 1u04 h GLU 287 N 0.00 -0.31 -1.49 1.96 5.08 -1.35 -2.60 114.58 115.88 1u04 h GLU 287 Ca 0.50 0.02 0.43 0.00 -1.00 0.00 0.00 59.36 59.32 1u04 h GLU 287 Cb 1.04 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 1u04 h GLU 287 CO -0.77 -0.21 1.06 -0.92 -1.00 0.00 0.00 179.01 177.17 1u04 h TYR 288 N -0.32 0.09 0.00 4.33 3.20 -0.63 0.62 116.97 124.26 1u04 h TYR 288 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1u04 h TYR 288 Cb 0.30 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1u04 h TYR 288 CO -0.24 -0.02 -0.40 1.79 -1.64 0.00 0.00 178.16 177.66 1u04 h THR 289 N 0.03 0.00 -3.43 1.81 1.35 -1.18 -3.44 112.91 108.06 1u04 h THR 289 Ca 0.73 -0.61 -0.60 0.00 -0.55 0.00 0.00 66.41 65.39 1u04 h THR 289 Cb 2.82 1.36 -0.10 0.00 -1.73 0.00 0.00 68.15 70.50 1u04 h THR 289 CO -0.07 0.00 0.14 -0.54 -0.25 0.00 0.00 175.52 174.81 1u04 s LYS 290 N -3.17 4.19 0.00 4.72 -0.14 0.22 -5.00 119.74 120.56 1u04 s LYS 290 Ca 0.07 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 55.29 1u04 s LYS 290 Cb 0.12 -3.60 0.00 0.00 -1.68 0.00 0.00 37.83 32.67 1u04 s LYS 290 CO 0.68 -0.29 0.00 1.28 -0.76 0.00 0.00 175.35 176.27 1u04 n LEU 291 N 5.22 0.00 0.05 3.17 4.77 -1.26 -4.69 117.00 124.26 1u04 n LEU 291 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1u04 n LEU 291 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 1u04 n LEU 291 CO 0.44 0.00 -0.44 -0.65 -1.33 0.00 0.00 177.39 175.41 1u04 h PRO 293 N 0.00 0.34 0.00 3.23 0.11 -1.93 -2.80 132.00 130.94 1u04 h PRO 293 Ca 0.00 -0.58 -0.13 0.00 0.11 0.00 0.00 66.00 65.40 1u04 h PRO 293 Cb 0.00 0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1u04 h PRO 293 CO 0.00 1.28 -0.62 0.93 -0.21 0.00 0.00 178.00 179.38 1u04 h GLU 294 N -0.09 0.00 -0.16 1.05 4.39 -1.97 -2.31 114.58 115.49 1u04 h GLU 294 Ca -0.31 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 1u04 h GLU 294 Cb 1.94 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1u04 h GLU 294 CO 0.13 0.62 -0.14 0.93 -1.16 0.00 0.00 179.01 179.39 1u04 h GLU 295 N 0.00 0.38 -0.61 2.33 5.08 -1.99 -1.24 114.58 118.53 1u04 h GLU 295 Ca -0.01 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1u04 h GLU 295 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1u04 h GLU 295 CO 0.08 0.74 0.36 0.00 -1.00 0.00 0.00 179.01 179.19 1u04 h ARG 296 N 0.03 0.84 -0.04 2.33 3.08 -1.84 0.42 114.38 119.19 1u04 h ARG 296 Ca 0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1u04 h ARG 296 Cb 0.66 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1u04 h ARG 296 CO 0.04 0.62 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.24 1u04 h LYS 297 N 0.83 -0.14 -0.20 0.04 3.64 -1.34 -0.50 116.57 118.89 1u04 h LYS 297 Ca 0.22 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1u04 h LYS 297 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1u04 h LYS 297 CO -0.04 -0.09 0.10 1.49 -2.27 0.00 0.00 179.45 178.64 1u04 h GLU 298 N -0.14 0.29 -0.66 1.90 4.81 -0.97 -1.10 114.58 118.71 1u04 h GLU 298 Ca 0.05 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1u04 h GLU 298 Cb 0.21 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1u04 h GLU 298 CO -0.12 0.32 0.38 -0.07 -0.73 0.00 0.00 179.01 178.78 1u04 h LEU 299 N 0.20 0.58 -0.67 1.64 3.38 -0.69 0.78 115.31 120.53 1u04 h LEU 299 Ca 0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1u04 h LEU 299 Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1u04 h LEU 299 CO -0.01 0.38 0.28 -0.07 0.09 0.00 0.00 178.44 179.12 1u04 h LEU 300 N 0.71 0.90 -1.38 1.67 3.38 -0.91 -1.55 115.31 118.13 1u04 h LEU 300 Ca 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1u04 h LEU 300 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1u04 h LEU 300 CO -0.16 0.81 0.07 -0.33 0.09 0.00 0.00 178.44 178.93 1u04 h GLU 301 N 0.94 0.48 -0.56 1.13 5.08 -0.31 -0.37 114.58 120.97 1u04 h GLU 301 Ca 0.22 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1u04 h GLU 301 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1u04 h GLU 301 CO -0.02 0.46 0.06 -0.91 -1.00 0.00 0.00 179.01 177.59 1u04 h ASN 302 N 0.48 0.91 -0.46 1.42 2.35 -0.11 -0.87 115.58 119.31 1u04 h ASN 302 Ca 0.11 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 1u04 h ASN 302 Cb 0.20 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1u04 h ASN 302 CO -0.00 0.96 0.10 0.40 -1.65 0.00 0.00 177.43 177.24 1u04 h ILE 303 N 0.83 1.24 -0.88 2.81 2.04 -0.80 -2.27 117.51 120.47 1u04 h ILE 303 Ca 0.17 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1u04 h ILE 303 Cb 0.46 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1u04 h ILE 303 CO 0.02 0.30 0.46 -0.07 0.00 0.00 0.00 178.15 178.86 1u04 h LEU 304 N 0.61 1.12 -1.14 1.44 3.38 -0.82 -1.12 115.31 118.79 1u04 h LEU 304 Ca 0.14 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1u04 h LEU 304 Cb 0.35 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1u04 h LEU 304 CO 0.00 0.92 -0.23 0.00 0.09 0.00 0.00 178.44 179.22 1u04 h ALA 305 N 1.25 1.28 0.00 1.53 0.00 -0.97 -2.66 119.26 119.70 1u04 h ALA 305 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u04 h ALA 305 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u04 h ALA 305 CO -0.05 0.48 0.00 1.49 0.00 0.00 0.00 179.25 181.17 1u04 h GLU 306 N 0.28 0.00 -6.33 0.00 4.57 -0.79 -3.43 114.58 108.88 1u04 h GLU 306 Ca 0.05 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.65 1u04 h GLU 306 Cb 0.57 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 1u04 h GLU 306 CO 0.04 0.00 0.87 0.08 -1.18 0.00 0.00 179.01 178.82 1u04 s VAL 307 N -3.13 4.45 -1.23 0.32 1.01 -0.49 -4.93 120.40 116.39 1u04 s VAL 307 Ca 0.10 1.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 1u04 s VAL 307 Cb 0.10 -4.38 0.18 0.00 0.00 0.00 0.00 36.38 32.28 1u04 s VAL 307 CO 0.62 -0.49 2.21 -0.67 0.00 0.00 0.00 175.10 176.77 1u04 n ASP 308 N 6.99 7.83 -3.83 3.32 2.03 -1.26 -4.91 116.55 126.72 1u04 n ASP 308 Ca 0.12 -3.31 -0.12 0.00 0.52 0.00 0.00 54.79 52.00 1u04 n ASP 308 Cb 0.47 -1.30 -0.12 0.00 -0.72 0.00 0.00 41.12 39.45 1u04 n ASP 308 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1u04 s SER 309 N -0.15 -0.11 0.00 1.67 0.15 -1.26 -5.03 113.70 108.97 1u04 s SER 309 Ca 0.49 0.16 0.25 0.00 0.70 0.00 0.00 55.95 57.55 1u04 s SER 309 Cb 0.19 0.30 0.36 0.00 -1.71 0.00 0.00 66.02 65.15 1u04 s SER 309 CO -0.10 -0.16 1.35 -0.90 1.20 0.00 0.00 173.24 174.62 1u04 n ASP 310 N 2.47 2.55 0.32 5.45 5.75 -1.26 -4.29 116.55 127.55 1u04 n ASP 310 Ca -0.16 -1.82 0.20 0.00 -0.01 0.00 0.00 54.79 53.00 1u04 n ASP 310 Cb 0.58 0.05 1.06 0.00 -1.03 0.00 0.00 41.12 41.78 1u04 n ASP 310 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1u04 h ILE 311 N 3.93 0.12 -3.96 2.12 6.09 -1.95 -3.42 117.51 120.44 1u04 h ILE 311 Ca 0.00 -0.13 -0.46 0.00 -1.37 0.00 0.00 64.86 62.90 1u04 h ILE 311 Cb 0.86 1.11 -0.22 0.00 0.47 0.00 0.00 36.82 39.05 1u04 h ILE 311 CO 0.00 0.01 -0.80 0.27 -3.07 0.00 0.00 178.15 174.56 1u04 s ILE 312 N -4.14 1.31 0.92 2.19 -4.36 -1.26 0.42 121.20 116.28 1u04 s ILE 312 Ca -0.04 -1.35 -0.11 0.00 -0.26 0.00 0.00 60.65 58.89 1u04 s ILE 312 Cb 0.13 -1.22 0.11 0.00 1.25 0.00 0.00 42.46 42.72 1u04 s ILE 312 CO 0.46 -0.14 0.93 0.47 0.24 0.00 0.00 174.94 176.90 1u04 n ASP 313 N 1.29 -0.35 0.02 4.36 9.92 0.20 -4.93 116.55 127.07 1u04 n ASP 313 Ca -0.20 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.58 1u04 n ASP 313 Cb 0.54 -1.40 0.16 0.00 -0.64 0.00 0.00 41.12 39.78 1u04 n ASP 313 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1u04 n LYS 314 N -3.46 0.14 -4.36 -1.24 2.85 -1.26 -4.84 118.16 105.99 1u04 n LYS 314 Ca 0.11 0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 57.17 1u04 n LYS 314 Cb 0.52 -1.57 -0.11 0.00 -0.65 0.00 0.00 35.03 33.23 1u04 n LYS 314 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1u04 s SER 315 N -3.52 2.85 0.37 -5.58 1.04 -1.26 -4.77 113.70 102.82 1u04 s SER 315 Ca 0.08 -0.91 -0.26 0.00 0.48 0.00 0.00 55.95 55.34 1u04 s SER 315 Cb 0.16 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 66.01 1u04 s SER 315 CO 0.74 -0.03 1.16 -0.76 0.98 0.00 0.00 173.24 175.33 1u04 s LEU 316 N -2.88 4.28 0.63 2.42 1.43 -1.26 -4.62 118.68 118.68 1u04 s LEU 316 Ca 0.19 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 55.50 1u04 s LEU 316 Cb -0.05 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 1u04 s LEU 316 CO 0.08 -0.55 1.07 -0.44 0.23 0.00 0.00 176.35 176.74 1u04 s SER 317 N -1.04 5.50 0.25 2.29 0.01 0.20 -4.89 113.70 116.03 1u04 s SER 317 Ca 0.54 1.83 0.11 0.00 1.31 0.00 0.00 55.95 59.73 1u04 s SER 317 Cb -0.31 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.34 1u04 s SER 317 CO 0.40 -1.36 -0.12 -1.61 0.41 0.00 0.00 173.24 170.96 1u04 s GLU 318 N -4.26 1.94 -0.03 12.44 2.02 -1.26 -1.80 118.70 127.75 1u04 s GLU 318 Ca 0.63 -1.55 -0.12 0.00 0.02 0.00 0.00 54.97 53.95 1u04 s GLU 318 Cb -0.17 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.11 1u04 s GLU 318 CO 0.42 0.36 0.26 -1.50 0.02 0.00 0.00 175.26 174.82 1u04 s ILE 319 N -2.26 0.05 -0.07 -1.63 2.07 0.16 -4.93 121.20 114.58 1u04 s ILE 319 Ca 0.29 -0.41 -0.26 0.00 -1.41 0.00 0.00 60.65 58.86 1u04 s ILE 319 Cb -0.06 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1u04 s ILE 319 CO 0.16 -0.23 0.82 -0.70 -1.91 0.00 0.00 174.94 173.09 1u04 s GLU 320 N -0.99 4.44 0.31 3.50 2.12 -1.26 -1.65 118.70 125.17 1u04 s GLU 320 Ca -0.11 1.08 0.09 0.00 0.36 0.00 0.00 54.97 56.40 1u04 s GLU 320 Cb -0.05 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 1u04 s GLU 320 CO 0.03 -0.07 -0.10 0.14 -0.54 0.00 0.00 175.26 174.71 1u04 s VAL 321 N 1.21 2.09 -0.19 3.70 -7.23 0.81 -4.82 120.40 115.98 1u04 s VAL 321 Ca 0.42 -2.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1u04 s VAL 321 Cb -0.18 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1u04 s VAL 321 CO 0.20 -0.28 0.09 -1.61 -0.31 0.00 0.00 175.10 173.18 1u04 s GLU 322 N -3.63 4.04 0.73 4.82 0.41 -0.83 -1.17 118.70 123.07 1u04 s GLU 322 Ca 0.31 -0.31 -0.11 0.00 -0.41 0.00 0.00 54.97 54.46 1u04 s GLU 322 Cb 0.01 -3.29 0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1u04 s GLU 322 CO 0.14 0.27 1.10 0.15 -0.49 0.00 0.00 175.26 176.43 1u04 s LYS 323 N 0.41 2.44 -0.15 1.61 1.02 -1.26 -2.30 119.74 121.51 1u04 s LYS 323 Ca 0.05 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1u04 s LYS 323 Cb -0.12 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1u04 s LYS 323 CO -0.00 -1.25 -0.15 0.42 -0.92 0.00 0.00 175.35 173.46 1u04 s ILE 324 N -3.40 2.76 0.34 2.17 1.01 -1.23 -2.60 121.20 120.25 1u04 s ILE 324 Ca 0.59 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 60.23 1u04 s ILE 324 Cb -0.11 -2.16 -0.13 0.00 0.01 0.00 0.00 42.46 40.07 1u04 s ILE 324 CO 0.49 0.51 1.12 0.00 0.00 0.00 0.00 174.94 177.07 1u04 n ALA 325 N 3.96 0.48 0.31 9.38 0.00 -1.26 -4.46 120.51 128.91 1u04 n ALA 325 Ca -0.19 0.34 0.20 0.00 0.00 0.00 0.00 53.44 53.79 1u04 n ALA 325 Cb 0.52 -2.13 0.95 0.00 0.00 0.00 0.00 19.45 18.79 1u04 n ALA 325 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u04 h GLN 326 N 2.11 0.00 -0.60 0.00 4.20 -2.02 -2.42 115.11 116.38 1u04 h GLN 326 Ca -0.43 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 1u04 h GLN 326 Cb 1.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1u04 h GLN 326 CO 0.60 0.01 0.10 1.49 -0.67 0.00 0.00 178.83 180.36 1u04 h GLU 327 N 0.00 0.97 0.00 1.46 4.81 -2.01 -2.13 114.58 117.67 1u04 h GLU 327 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1u04 h GLU 327 Cb 0.25 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1u04 h GLU 327 CO 0.00 0.89 0.00 1.28 -0.73 0.00 0.00 179.01 180.45 1u04 n LEU 328 N -4.23 0.00 0.02 1.64 4.77 -0.91 -1.29 117.00 117.00 1u04 n LEU 328 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1u04 n LEU 328 Cb 0.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1u04 n LEU 328 CO 0.42 0.00 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.80 1u04 n GLU 329 N -0.87 0.26 -0.48 3.23 -0.58 -0.80 -4.34 120.64 117.07 1u04 n GLU 329 Ca 0.08 -0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 1u04 n GLU 329 Cb 0.04 -1.57 0.25 0.00 -0.57 0.00 0.00 31.44 29.59 1u04 n GLU 329 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u04 n ASN 330 N -1.90 3.67 0.06 1.62 3.02 -0.41 -4.65 115.26 116.67 1u04 n ASN 330 Ca 0.02 -3.12 0.13 0.00 -0.03 0.00 0.00 54.58 51.58 1u04 n ASN 330 Cb 0.43 -0.56 0.49 0.00 -0.61 0.00 0.00 39.78 39.53 1u04 n ASN 330 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u04 n LYS 331 N -0.62 0.14 -3.87 3.52 5.02 -1.26 -4.69 118.16 116.40 1u04 n LYS 331 Ca 0.23 0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 56.31 1u04 n LYS 331 Cb 0.91 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 34.12 1u04 n LYS 331 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u04 s ILE 332 N -3.07 4.01 0.21 -0.18 1.01 -1.26 0.50 121.20 122.42 1u04 s ILE 332 Ca 0.11 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1u04 s ILE 332 Cb 0.15 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1u04 s ILE 332 CO 0.54 0.38 -0.08 -0.13 0.00 0.00 0.00 174.94 175.66 1u04 s ARG 333 N 1.41 1.30 0.15 2.79 0.52 -0.39 -1.33 118.95 123.40 1u04 s ARG 333 Ca 0.05 -1.61 0.04 0.00 -0.52 0.00 0.00 55.73 53.69 1u04 s ARG 333 Cb -0.15 -0.85 -0.05 0.00 0.52 0.00 0.00 34.95 34.42 1u04 s ARG 333 CO 0.01 0.05 -0.07 0.14 0.02 0.00 0.00 175.30 175.45 1u04 s VAL 334 N -3.20 1.04 0.21 3.52 -7.23 -0.75 -1.16 120.40 112.84 1u04 s VAL 334 Ca 0.24 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1u04 s VAL 334 Cb 0.03 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 1u04 s VAL 334 CO 0.06 -0.68 0.06 0.00 -0.31 0.00 0.00 175.10 174.23 1u04 s ARG 335 N -3.79 1.24 0.29 4.82 1.70 -1.26 -1.90 118.95 120.05 1u04 s ARG 335 Ca 0.18 -1.64 0.04 0.00 -0.47 0.00 0.00 55.73 53.84 1u04 s ARG 335 Cb 0.04 -0.16 0.04 0.00 -0.57 0.00 0.00 34.95 34.30 1u04 s ARG 335 CO 0.01 -0.25 0.30 -0.40 -1.08 0.00 0.00 175.30 173.89 1u04 n ASP 336 N -0.33 1.53 0.00 -2.89 5.68 -1.03 -0.41 116.55 119.10 1u04 n ASP 336 Ca -0.03 -1.89 0.12 0.00 -0.50 0.00 0.00 54.79 52.49 1u04 n ASP 336 Cb 0.65 -0.11 0.62 0.00 -1.14 0.00 0.00 41.12 41.14 1u04 n ASP 336 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1u04 n ASP 337 N -2.25 0.00 0.00 -1.12 5.75 -1.26 -4.44 116.55 113.22 1u04 n ASP 337 Ca 0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1u04 n ASP 337 Cb 0.32 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1u04 n ASP 337 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1u04 n LYS 338 N -1.28 0.00 -0.31 0.11 4.01 -1.26 -5.02 118.16 114.42 1u04 n LYS 338 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1u04 n LYS 338 Cb 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.71 1u04 n LYS 338 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u04 n GLY 339 N 4.63 0.40 3.72 0.72 0.00 -1.26 -5.11 105.19 108.29 1u04 n GLY 339 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1u04 n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u04 s ASN 340 N -0.20 7.05 -0.14 1.61 -0.87 -1.26 -4.98 114.94 116.15 1u04 s ASN 340 Ca 0.00 1.26 0.01 0.00 -1.57 0.00 0.00 52.86 52.56 1u04 s ASN 340 Cb 0.00 -2.43 0.02 0.00 -0.02 0.00 0.00 41.25 38.82 1u04 s ASN 340 CO 0.00 -0.08 -0.16 -0.44 -2.57 0.00 0.00 177.10 173.85 1u04 s SER 341 N 0.58 2.70 -0.01 -1.22 0.01 -1.26 -2.46 113.70 112.04 1u04 s SER 341 Ca 0.38 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1u04 s SER 341 Cb -0.18 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 64.83 1u04 s SER 341 CO 0.19 -0.01 -0.09 -0.69 0.41 0.00 0.00 173.24 173.05 1u04 s VAL 342 N 1.22 0.75 0.45 3.43 1.01 -0.80 -4.98 120.40 121.48 1u04 s VAL 342 Ca -0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 1u04 s VAL 342 Cb -0.14 -0.64 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1u04 s VAL 342 CO -0.07 0.22 1.02 -2.16 0.00 0.00 0.00 175.10 174.11 1u04 s PRO 343 N -0.12 3.98 -0.71 2.72 0.04 -1.26 -1.81 135.00 137.83 1u04 s PRO 343 Ca 0.02 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.15 1u04 s PRO 343 Cb -0.05 -2.22 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 1u04 s PRO 343 CO -0.00 -0.28 2.46 -0.89 0.04 0.00 0.00 177.00 178.33 1u04 n ILE 344 N -0.67 -0.04 -2.68 0.56 -0.00 -0.44 -4.65 119.36 111.43 1u04 n ILE 344 Ca 0.08 -0.54 -0.01 0.00 -0.00 0.00 0.00 62.75 62.28 1u04 n ILE 344 Cb 0.52 -1.88 0.03 0.00 -0.00 0.00 0.00 39.64 38.31 1u04 n ILE 344 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1u04 s SER 345 N 10.13 -0.16 0.36 4.38 0.01 -1.26 -4.96 113.70 122.21 1u04 s SER 345 Ca 1.09 -0.15 0.09 0.00 1.31 0.00 0.00 55.95 58.28 1u04 s SER 345 Cb -0.47 0.21 -0.07 0.00 0.21 0.00 0.00 66.02 65.90 1u04 s SER 345 CO 0.30 -0.01 -0.06 -1.10 0.41 0.00 0.00 173.24 172.78 1u04 s GLN 346 N 1.37 1.87 0.00 12.44 1.11 -1.26 -5.18 119.66 130.00 1u04 s GLN 346 Ca 0.20 -1.98 0.00 0.00 0.01 0.00 0.00 55.36 53.59 1u04 s GLN 346 Cb 0.10 -1.70 0.00 0.00 -1.01 0.00 0.00 33.01 30.40 1u04 s GLN 346 CO -0.13 0.09 0.00 1.28 0.01 0.00 0.00 175.29 176.54 1u04 n LEU 355 N -0.85 0.00 -4.66 2.90 4.77 -1.26 -4.76 117.00 113.15 1u04 n LEU 355 Ca -0.05 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.40 1u04 n LEU 355 Cb 0.64 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1u04 n LEU 355 CO 0.45 0.00 1.16 -0.11 -1.33 0.00 0.00 177.39 177.56 1u04 n LEU 356 N 0.00 2.30 -0.30 2.23 7.94 -1.26 -4.87 117.00 123.04 1u04 n LEU 356 Ca 0.00 1.08 0.12 0.00 -1.11 0.00 0.00 56.01 56.10 1u04 n LEU 356 Cb 0.00 -1.22 0.28 0.00 0.53 0.00 0.00 43.42 43.01 1u04 n LEU 356 CO 0.00 -0.61 1.03 4.11 -1.11 0.00 0.00 177.39 180.81 1u04 h TRP 357 N 6.27 0.60 0.00 1.96 5.08 -2.08 -1.38 115.95 126.40 1u04 h TRP 357 Ca -0.47 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1u04 h TRP 357 Cb 1.31 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1u04 h TRP 357 CO 0.70 -0.04 0.00 0.25 -1.28 0.00 0.00 178.44 178.07 1u04 n THR 358 N -5.05 0.14 0.93 0.12 -2.24 -1.26 -3.87 114.28 103.05 1u04 n THR 358 Ca 0.20 0.04 0.01 0.00 -2.27 0.00 0.00 64.05 62.03 1u04 n THR 358 Cb 0.61 -0.72 0.07 0.00 -2.10 0.00 0.00 70.33 68.19 1u04 n THR 358 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1u04 n ASN 359 N -1.10 0.00 -0.01 3.42 3.02 -0.52 -2.79 115.26 117.28 1u04 n ASN 359 Ca 0.13 -0.86 -0.05 0.00 -0.03 0.00 0.00 54.58 53.77 1u04 n ASN 359 Cb 0.10 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 1u04 n ASN 359 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u04 n TYR 360 N -0.58 0.86 -2.16 3.10 0.18 -1.25 -4.97 117.16 112.35 1u04 n TYR 360 Ca 0.02 0.30 -0.32 0.00 1.88 0.00 0.00 57.90 59.77 1u04 n TYR 360 Cb 0.01 -1.11 -0.01 0.00 -0.38 0.00 0.00 39.34 37.85 1u04 n TYR 360 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1u04 s SER 361 N -5.85 6.12 -0.01 9.48 1.04 -1.12 -4.95 113.70 118.40 1u04 s SER 361 Ca -0.05 1.70 0.04 0.00 0.48 0.00 0.00 55.95 58.12 1u04 s SER 361 Cb 0.08 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.81 1u04 s SER 361 CO 0.82 -0.93 0.97 0.54 0.98 0.00 0.00 173.24 175.62 1u04 n ARG 362 N -1.92 1.43 -1.93 4.02 3.00 -1.26 -4.90 116.66 115.11 1u04 n ARG 362 Ca 0.08 -0.50 -0.42 0.00 -0.01 0.00 0.00 57.85 57.00 1u04 n ARG 362 Cb 0.53 -1.28 -0.03 0.00 0.00 0.00 0.00 32.46 31.69 1u04 n ARG 362 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1u04 s LYS 363 N -1.66 4.21 0.76 5.56 1.02 -1.26 -4.83 119.74 123.54 1u04 s LYS 363 Ca 0.09 2.38 -0.11 0.00 0.02 0.00 0.00 55.97 58.35 1u04 s LYS 363 Cb 0.06 -3.13 0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1u04 s LYS 363 CO 0.05 -0.58 1.09 0.71 -0.92 0.00 0.00 175.35 175.70 1u04 s TYR 364 N 0.85 2.59 0.80 3.18 4.12 -1.26 -4.98 117.35 122.65 1u04 s TYR 364 Ca 0.68 1.55 -0.12 0.00 0.02 0.00 0.00 57.07 59.20 1u04 s TYR 364 Cb -0.44 -3.05 0.08 0.00 -1.52 0.00 0.00 41.96 37.02 1u04 s TYR 364 CO 0.35 -1.77 1.13 -1.25 0.02 0.00 0.00 175.55 174.02 1u04 s PRO 365 N -4.83 1.90 -0.20 -1.71 0.04 -1.26 -4.88 135.00 124.05 1u04 s PRO 365 Ca 0.62 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 1u04 s PRO 365 Cb -0.17 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1u04 s PRO 365 CO 0.55 -1.95 0.11 0.08 0.04 0.00 0.00 177.00 175.82 1u04 s VAL 366 N -2.62 5.11 -0.14 -0.36 1.01 -1.26 -4.84 120.40 117.29 1u04 s VAL 366 Ca 0.66 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1u04 s VAL 366 Cb -0.21 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1u04 s VAL 366 CO 0.53 0.42 -0.21 -0.63 0.00 0.00 0.00 175.10 175.22 1u04 s ILE 367 N 0.56 2.12 -0.40 2.22 -1.09 -1.26 -4.20 121.20 119.15 1u04 s ILE 367 Ca 0.06 -0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 1u04 s ILE 367 Cb -0.12 -1.85 0.05 0.00 -1.58 0.00 0.00 42.46 38.96 1u04 s ILE 367 CO 0.00 0.55 0.25 -0.22 -1.23 0.00 0.00 174.94 174.29 1u04 s LEU 368 N 0.85 5.00 0.72 2.97 1.98 0.45 -4.85 118.68 125.81 1u04 s LEU 368 Ca -0.06 -1.22 -0.16 0.00 -2.89 0.00 0.00 54.13 49.81 1u04 s LEU 368 Cb -0.15 -2.04 0.03 0.00 0.66 0.00 0.00 46.19 44.69 1u04 s LEU 368 CO -0.03 -0.48 1.25 -2.84 -1.89 0.00 0.00 176.35 172.37 1u04 s PRO 369 N 1.52 2.16 0.06 0.98 0.02 -1.26 -4.44 135.00 134.04 1u04 s PRO 369 Ca 0.03 1.92 0.17 0.00 0.02 0.00 0.00 61.00 63.13 1u04 s PRO 369 Cb -0.21 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 1u04 s PRO 369 CO 0.05 -1.86 0.81 0.66 -0.33 0.00 0.00 177.00 176.34 1u04 n TYR 370 N -2.51 0.96 -3.75 6.54 4.01 0.37 -4.91 117.16 117.86 1u04 n TYR 370 Ca 0.15 0.32 -0.13 0.00 -0.16 0.00 0.00 57.90 58.07 1u04 n TYR 370 Cb 0.49 -1.07 -0.10 0.00 -0.31 0.00 0.00 39.34 38.35 1u04 n TYR 370 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1u04 s GLU 371 N -2.94 0.49 -0.06 -0.72 2.02 -1.02 -5.03 118.70 111.44 1u04 s GLU 371 Ca -0.03 0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.32 1u04 s GLU 371 Cb 0.09 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.57 1u04 s GLU 371 CO 0.81 -0.08 -0.03 0.08 0.02 0.00 0.00 175.26 176.06 1u04 s VAL 372 N -0.14 0.53 0.11 2.63 1.01 -1.26 -1.49 120.40 121.78 1u04 s VAL 372 Ca -0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.56 1u04 s VAL 372 Cb -0.03 -0.60 -0.18 0.00 0.00 0.00 0.00 36.38 35.56 1u04 s VAL 372 CO 0.01 0.25 0.82 -2.65 0.00 0.00 0.00 175.10 173.54 1u04 n PRO 373 N 4.55 0.10 0.17 2.72 -0.02 -1.26 -4.76 135.00 136.50 1u04 n PRO 373 Ca -0.17 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.47 1u04 n PRO 373 Cb 0.50 -1.30 0.60 0.00 -0.02 0.00 0.00 33.50 33.28 1u04 n PRO 373 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1u04 h GLU 374 N 2.10 0.00 -0.99 -0.52 5.08 -1.99 -2.76 114.58 115.50 1u04 h GLU 374 Ca -0.40 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1u04 h GLU 374 Cb 1.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1u04 h GLU 374 CO 0.62 0.00 0.64 -0.22 -1.00 0.00 0.00 179.01 179.05 1u04 h LYS 375 N 0.00 1.15 0.00 2.33 3.64 -2.01 -2.16 116.57 119.51 1u04 h LYS 375 Ca 0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1u04 h LYS 375 Cb 0.18 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1u04 h LYS 375 CO 0.00 0.76 -0.01 0.74 -2.27 0.00 0.00 179.45 178.67 1u04 h PHE 376 N 1.18 0.00 -0.48 1.91 0.04 -1.84 -3.08 116.94 114.67 1u04 h PHE 376 Ca 0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1u04 h PHE 376 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1u04 h PHE 376 CO -0.00 0.01 0.30 0.00 -0.60 0.00 0.00 178.31 178.02 1u04 h ARG 377 N 0.00 0.64 0.00 1.51 3.08 -1.58 -3.29 114.38 114.75 1u04 h ARG 377 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1u04 h ARG 377 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1u04 h ARG 377 CO 0.00 0.45 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.13 1u04 h LYS 378 N 0.64 -0.00 -2.85 0.04 1.63 -1.69 -3.47 116.57 110.86 1u04 h LYS 378 Ca 0.17 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.57 1u04 h LYS 378 Cb -0.03 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1u04 h LYS 378 CO -0.03 0.83 0.22 -0.89 -3.45 0.00 0.00 179.45 176.12 1u04 n ILE 379 N -4.65 0.00 0.00 2.00 5.41 -1.18 -4.93 119.36 116.01 1u04 n ILE 379 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1u04 n ILE 379 Cb 0.40 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 1u04 n ILE 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1u04 n ARG 380 N 1.47 0.00 -4.23 0.38 1.74 -1.26 -4.96 116.66 109.80 1u04 n ARG 380 Ca 0.13 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1u04 n ARG 380 Cb -0.00 -0.29 -0.07 0.00 -1.02 0.00 0.00 32.46 31.08 1u04 n ARG 380 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1u04 s GLU 381 N 0.00 2.37 -0.32 5.56 -1.05 -1.26 -5.11 118.70 118.89 1u04 s GLU 381 Ca 0.00 -1.42 0.01 0.00 -0.15 0.00 0.00 54.97 53.41 1u04 s GLU 381 Cb 0.00 -2.20 0.10 0.00 -0.44 0.00 0.00 34.13 31.59 1u04 s GLU 381 CO 0.00 0.30 0.07 0.42 0.95 0.00 0.00 175.26 177.00 1u04 s ILE 382 N -2.34 1.48 0.00 1.83 1.01 -1.26 -4.74 121.20 117.18 1u04 s ILE 382 Ca 0.33 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 59.21 1u04 s ILE 382 Cb -0.05 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1u04 s ILE 382 CO 0.21 -0.61 0.00 -2.65 0.00 0.00 0.00 174.94 171.89 1u04 n PRO 383 N 4.60 0.57 -3.65 2.79 -0.02 -1.24 -4.81 135.00 133.25 1u04 n PRO 383 Ca -0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1u04 n PRO 383 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.84 1u04 n PRO 383 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1u04 s PHE 385 N -0.30 -0.12 -0.33 6.00 0.08 0.16 -1.43 117.98 122.04 1u04 s PHE 385 Ca 0.00 0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.24 1u04 s PHE 385 Cb 0.00 0.16 0.04 0.00 -0.57 0.00 0.00 43.02 42.65 1u04 s PHE 385 CO 0.00 -0.06 0.08 0.42 -0.10 0.00 0.00 175.22 175.57 1u04 s ILE 386 N 0.85 3.67 -0.32 0.64 -1.09 -0.36 0.05 121.20 124.63 1u04 s ILE 386 Ca -0.05 -1.12 -0.08 0.00 -2.23 0.00 0.00 60.65 57.17 1u04 s ILE 386 Cb -0.03 -3.06 0.02 0.00 -1.58 0.00 0.00 42.46 37.81 1u04 s ILE 386 CO -0.11 -0.14 0.12 -0.63 -1.23 0.00 0.00 174.94 172.95 1u04 s ILE 387 N 1.39 4.15 -0.24 2.92 1.01 0.93 -0.29 121.20 131.07 1u04 s ILE 387 Ca -0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 1u04 s ILE 387 Cb -0.19 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1u04 s ILE 387 CO 0.02 -0.04 0.04 -0.76 0.00 0.00 0.00 174.94 174.21 1u04 s LEU 388 N 1.51 3.35 -0.22 2.97 1.43 0.12 -1.39 118.68 126.45 1u04 s LEU 388 Ca 0.02 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1u04 s LEU 388 Cb -0.18 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1u04 s LEU 388 CO 0.04 -0.01 1.85 -0.62 0.23 0.00 0.00 176.35 177.84 1u04 s ASP 389 N 1.46 6.03 0.47 2.29 2.15 -0.45 -2.03 116.67 126.59 1u04 s ASP 389 Ca 0.05 1.72 0.28 0.00 0.43 0.00 0.00 52.55 55.04 1u04 s ASP 389 Cb -0.15 -2.52 1.52 0.00 -0.30 0.00 0.00 42.92 41.46 1u04 s ASP 389 CO 0.02 -1.53 1.84 0.77 -0.17 0.00 0.00 175.17 176.10 1u04 h SER 390 N 12.34 0.00 0.97 -0.34 4.64 -0.20 -0.51 113.55 130.45 1u04 h SER 390 Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1u04 h SER 390 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1u04 h SER 390 CO 0.99 0.00 -0.16 1.23 -0.87 0.00 0.00 176.83 178.02 1u04 h GLY 391 N 0.00 0.00 -3.36 -0.77 0.00 -1.88 -3.45 103.07 93.61 1u04 h GLY 391 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1u04 h GLY 391 CO 0.00 0.00 0.49 1.08 0.00 0.00 0.00 176.54 178.11 1u04 s LEU 392 N -6.62 4.33 0.64 3.11 1.43 -0.20 -4.98 118.68 116.38 1u04 s LEU 392 Ca 0.01 2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 55.22 1u04 s LEU 392 Cb 0.10 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1u04 s LEU 392 CO 0.61 -0.43 0.98 0.18 0.23 0.00 0.00 176.35 177.92 1u04 n LEU 393 N 0.51 3.84 -0.23 1.79 4.77 -1.26 -4.71 117.00 121.71 1u04 n LEU 393 Ca 0.02 0.77 0.03 0.00 -0.03 0.00 0.00 56.01 56.80 1u04 n LEU 393 Cb 0.46 -1.40 0.15 0.00 -2.33 0.00 0.00 43.42 40.30 1u04 n LEU 393 CO 0.51 -1.87 0.96 0.00 -1.33 0.00 0.00 177.39 175.66 1u04 h ALA 394 N 0.28 0.89 -0.28 -1.18 0.00 -1.94 -1.53 119.26 115.51 1u04 h ALA 394 Ca -0.48 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1u04 h ALA 394 Cb 1.36 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1u04 h ALA 394 CO 0.50 -0.28 -0.00 0.38 0.00 0.00 0.00 179.25 179.85 1u04 h ASP 395 N 0.33 0.39 -0.27 0.00 3.04 -2.00 -0.85 116.42 117.06 1u04 h ASP 395 Ca 0.37 -0.06 -0.12 0.00 -3.24 0.00 0.00 57.03 53.98 1u04 h ASP 395 Cb 0.58 -0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 38.77 1u04 h ASP 395 CO -0.43 0.46 -0.31 0.40 -2.04 0.00 0.00 179.24 177.33 1u04 h ILE 396 N 0.41 1.31 -0.61 4.15 1.08 -1.66 -2.01 117.51 120.17 1u04 h ILE 396 Ca 0.09 -1.48 0.05 0.00 -0.39 0.00 0.00 64.86 63.13 1u04 h ILE 396 Cb 0.28 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.61 1u04 h ILE 396 CO 0.01 0.47 0.33 1.56 -0.69 0.00 0.00 178.15 179.83 1u04 h GLN 397 N 0.42 0.61 -0.57 2.37 4.20 -0.66 -1.06 115.11 120.42 1u04 h GLN 397 Ca 0.04 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1u04 h GLN 397 Cb 0.88 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1u04 h GLN 397 CO 0.07 0.41 -0.03 -0.91 -0.67 0.00 0.00 178.83 177.70 1u04 h ASN 398 N 0.63 1.01 0.28 1.46 2.35 -1.12 -2.44 115.58 117.75 1u04 h ASN 398 Ca 0.27 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1u04 h ASN 398 Cb 0.15 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1u04 h ASN 398 CO -0.17 1.09 -0.28 0.15 -1.65 0.00 0.00 177.43 176.57 1u04 h PHE 399 N 0.91 -0.76 -0.23 1.19 3.57 -0.83 -2.08 116.94 118.71 1u04 h PHE 399 Ca 0.16 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1u04 h PHE 399 Cb 0.59 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1u04 h PHE 399 CO 0.04 -0.41 -0.11 0.00 -2.23 0.00 0.00 178.31 175.60 1u04 h ALA 400 N 0.00 0.08 -0.59 2.41 0.00 -1.15 0.53 119.26 120.54 1u04 h ALA 400 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u04 h ALA 400 Cb 0.55 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1u04 h ALA 400 CO -0.06 -0.53 0.35 1.79 0.00 0.00 0.00 179.25 180.80 1u04 h THR 401 N -0.08 1.17 -0.29 0.00 1.35 -1.36 0.33 112.91 114.02 1u04 h THR 401 Ca 0.12 -0.38 -0.13 0.00 -0.55 0.00 0.00 66.41 65.47 1u04 h THR 401 Cb 0.27 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1u04 h THR 401 CO -0.28 0.18 -0.35 0.78 -0.25 0.00 0.00 175.52 175.60 1u04 h ASN 402 N 0.81 0.67 -0.38 5.36 2.35 -0.63 0.48 115.58 124.23 1u04 h ASN 402 Ca 0.21 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1u04 h ASN 402 Cb -0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1u04 h ASN 402 CO -0.04 0.96 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.36 1u04 h GLU 403 N 0.54 0.68 -0.70 0.81 4.39 0.42 -2.78 114.58 117.94 1u04 h GLU 403 Ca 0.06 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 1u04 h GLU 403 Cb 0.85 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 1u04 h GLU 403 CO 0.07 0.79 0.16 0.74 -1.16 0.00 0.00 179.01 179.61 1u04 h PHE 404 N 0.50 1.17 -0.85 4.33 0.04 -0.19 -1.20 116.94 120.74 1u04 h PHE 404 Ca 0.11 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.77 1u04 h PHE 404 Cb 0.48 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 1u04 h PHE 404 CO 0.04 0.95 0.54 0.00 -0.60 0.00 0.00 178.31 179.24 1u04 h ARG 405 N 1.05 1.01 -0.02 1.51 3.08 -0.80 -0.93 114.38 119.29 1u04 h ARG 405 Ca 0.22 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 1u04 h ARG 405 Cb 0.38 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1u04 h ARG 405 CO 0.00 0.67 -0.80 0.93 -1.07 0.00 0.00 179.97 179.70 1u04 h GLU 406 N 1.04 0.21 -0.55 0.04 4.39 -1.26 -2.86 114.58 115.61 1u04 h GLU 406 Ca 0.34 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1u04 h GLU 406 Cb 0.03 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1u04 h GLU 406 CO -0.12 0.90 0.19 1.25 -1.16 0.00 0.00 179.01 180.07 1u04 h LEU 407 N 0.13 0.78 -0.83 1.33 6.46 -0.60 -2.66 115.31 119.92 1u04 h LEU 407 Ca -0.03 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.45 1u04 h LEU 407 Cb 1.40 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.10 1u04 h LEU 407 CO 0.12 0.76 -0.02 -0.37 -0.62 0.00 0.00 178.44 178.31 1u04 h VAL 408 N 0.75 1.25 0.04 1.05 -1.51 -1.17 -3.08 116.25 113.58 1u04 h VAL 408 Ca 0.18 -1.08 0.02 0.00 -1.23 0.00 0.00 66.70 64.59 1u04 h VAL 408 Cb 0.24 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.27 1u04 h VAL 408 CO -0.01 0.38 -0.15 0.11 -1.23 0.00 0.00 177.57 176.67 1u04 h LYS 409 N 0.79 -0.25 -2.68 5.19 1.57 -1.25 -2.21 116.57 117.71 1u04 h LYS 409 Ca 0.15 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1u04 h LYS 409 Cb 0.51 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1u04 h LYS 409 CO 0.03 -0.17 0.23 -1.13 -0.57 0.00 0.00 179.45 177.83 1u04 n SER 410 N -5.28 1.72 -0.66 0.86 3.41 -1.03 -4.38 113.62 108.27 1u04 n SER 410 Ca -0.06 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1u04 n SER 410 Cb 0.19 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1u04 n SER 410 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1u04 n TYR 412 N 2.85 0.00 0.00 7.33 4.01 -0.83 -4.78 117.16 125.74 1u04 n TYR 412 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1u04 n TYR 412 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1u04 n TYR 412 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1u04 n TYR 413 N -0.09 0.00 -3.34 -0.72 4.01 -1.26 -5.16 117.16 110.60 1u04 n TYR 413 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1u04 n TYR 413 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1u04 n TYR 413 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1u04 s GLU 443 N 0.00 0.08 -0.14 -0.72 2.12 -1.26 -5.03 118.70 113.75 1u04 s GLU 443 Ca 0.00 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1u04 s GLU 443 Cb 0.00 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.49 1u04 s GLU 443 CO 0.00 -0.02 -0.18 0.21 -0.54 0.00 0.00 175.26 174.73 1u04 s LYS 444 N 1.81 2.62 -0.25 4.30 2.36 -1.26 -5.04 119.74 124.28 1u04 s LYS 444 Ca -0.02 -0.70 -0.12 0.00 -2.55 0.00 0.00 55.97 52.57 1u04 s LYS 444 Cb -0.02 -2.21 -0.05 0.00 -1.05 0.00 0.00 37.83 34.50 1u04 s LYS 444 CO -0.15 -0.10 0.24 0.08 1.55 0.00 0.00 175.35 176.98 1u04 s VAL 445 N 1.06 5.29 -0.12 4.02 1.01 -1.26 -1.23 120.40 129.17 1u04 s VAL 445 Ca -0.03 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1u04 s VAL 445 Cb -0.14 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1u04 s VAL 445 CO -0.05 0.28 -0.22 -0.63 0.00 0.00 0.00 175.10 174.47 1u04 s ILE 446 N 1.44 2.00 -0.21 2.22 1.01 0.60 -4.97 121.20 123.29 1u04 s ILE 446 Ca 0.10 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1u04 s ILE 446 Cb -0.15 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.61 1u04 s ILE 446 CO 0.08 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.52 1u04 s THR 447 N 0.59 2.01 0.26 2.92 2.01 -1.26 0.14 115.64 122.31 1u04 s THR 447 Ca -0.13 -1.18 -0.06 0.00 0.31 0.00 0.00 61.69 60.64 1u04 s THR 447 Cb -0.17 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1u04 s THR 447 CO 0.03 0.28 0.36 -1.61 -0.69 0.00 0.00 174.62 173.00 1u04 s GLU 448 N 1.25 1.53 -1.13 4.92 0.41 -0.86 -4.85 118.70 119.97 1u04 s GLU 448 Ca -0.01 -1.52 -0.20 0.00 -0.41 0.00 0.00 54.97 52.84 1u04 s GLU 448 Cb -0.16 0.40 0.08 0.00 -1.78 0.00 0.00 34.13 32.67 1u04 s GLU 448 CO -0.09 -0.60 1.52 0.34 -0.49 0.00 0.00 175.26 175.94 1u04 s ASP 449 N -3.13 6.70 0.12 -0.19 -1.08 -1.26 0.57 116.67 118.41 1u04 s ASP 449 Ca 0.30 -2.06 0.08 0.00 -0.52 0.00 0.00 52.55 50.35 1u04 s ASP 449 Cb 0.02 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.35 1u04 s ASP 449 CO 0.13 -1.25 1.21 0.18 0.52 0.00 0.00 175.17 175.97 1u04 n LEU 450 N 8.08 0.20 -1.58 -1.34 4.32 -1.26 -1.50 117.00 123.92 1u04 n LEU 450 Ca 0.38 0.57 0.07 0.00 -0.02 0.00 0.00 56.01 57.01 1u04 n LEU 450 Cb 0.48 -0.59 0.33 0.00 -1.62 0.00 0.00 43.42 42.02 1u04 n LEU 450 CO 0.68 -0.64 0.78 -3.20 -1.22 0.00 0.00 177.39 173.79 1u04 n ASN 451 N -1.75 4.69 -4.05 -1.43 5.15 -1.26 -4.78 115.26 111.83 1u04 n ASN 451 Ca -0.01 -2.61 -0.15 0.00 -0.60 0.00 0.00 54.58 51.21 1u04 n ASN 451 Cb 0.04 -0.61 -0.13 0.00 -0.53 0.00 0.00 39.78 38.56 1u04 n ASN 451 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1u04 s SER 452 N -0.75 0.93 0.39 1.20 1.04 -0.56 -5.03 113.70 110.92 1u04 s SER 452 Ca 0.46 -0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.58 1u04 s SER 452 Cb 0.33 -0.02 0.81 0.00 0.10 0.00 0.00 66.02 67.24 1u04 s SER 452 CO 0.17 -0.08 1.94 0.44 0.98 0.00 0.00 173.24 176.69 1u04 h ASP 453 N 5.01 0.26 -0.14 7.02 3.45 -1.89 -2.38 116.42 127.75 1u04 h ASP 453 Ca -0.34 -0.04 -0.13 0.00 0.43 0.00 0.00 57.03 56.95 1u04 h ASP 453 Cb 1.20 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 1u04 h ASP 453 CO 0.44 0.37 -0.34 0.11 -1.57 0.00 0.00 179.24 178.24 1u04 h LYS 454 N 0.27 0.64 -0.19 3.56 6.56 -1.96 -1.62 116.57 123.83 1u04 h LYS 454 Ca 0.06 -0.30 -0.04 0.00 -1.06 0.00 0.00 60.65 59.31 1u04 h LYS 454 Cb 0.30 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1u04 h LYS 454 CO 0.01 0.90 -0.04 0.78 -2.06 0.00 0.00 179.45 179.04 1u04 h GLY 455 N 1.00 0.39 0.93 3.86 0.00 -1.56 -2.20 103.07 105.49 1u04 h GLY 455 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1u04 h GLY 455 CO 0.07 0.29 0.20 -2.22 0.00 0.00 0.00 176.54 174.88 1u04 h ILE 456 N 0.09 1.04 -0.55 2.60 2.04 -1.38 -1.19 117.51 120.16 1u04 h ILE 456 Ca 0.05 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1u04 h ILE 456 Cb 0.47 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1u04 h ILE 456 CO 0.02 0.08 0.21 0.40 0.00 0.00 0.00 178.15 178.85 1u04 h ILE 457 N 0.41 0.83 -0.97 -0.67 2.04 -1.24 -1.50 117.51 116.41 1u04 h ILE 457 Ca 0.13 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1u04 h ILE 457 Cb -0.00 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1u04 h ILE 457 CO -0.06 0.07 0.64 -0.33 0.00 0.00 0.00 178.15 178.47 1u04 h GLU 458 N 0.40 1.27 0.65 2.37 4.39 -0.76 -1.72 114.58 121.18 1u04 h GLU 458 Ca 0.27 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1u04 h GLU 458 Cb 0.29 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1u04 h GLU 458 CO -0.26 0.84 -0.33 0.28 -1.16 0.00 0.00 179.01 178.39 1u04 h VAL 459 N 1.31 0.32 -0.56 3.13 2.07 -0.24 -1.22 116.25 121.06 1u04 h VAL 459 Ca 0.35 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.98 1u04 h VAL 459 Cb -0.15 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 29.86 1u04 h VAL 459 CO -0.08 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.19 1u04 h VAL 460 N -0.90 0.64 -0.28 2.57 2.07 -1.22 0.10 116.25 119.23 1u04 h VAL 460 Ca -0.09 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1u04 h VAL 460 Cb 0.70 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1u04 h VAL 460 CO 0.13 0.04 0.18 -0.33 0.02 0.00 0.00 177.57 177.61 1u04 h GLU 461 N 0.22 0.38 -0.48 1.57 5.08 -1.20 0.27 114.58 120.43 1u04 h GLU 461 Ca 0.29 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1u04 h GLU 461 Cb 0.43 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1u04 h GLU 461 CO -0.40 0.28 0.24 1.96 -1.00 0.00 0.00 179.01 180.09 1u04 h GLN 462 N 0.37 0.69 -0.34 2.33 4.20 -0.55 -1.62 115.11 120.18 1u04 h GLN 462 Ca 0.10 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1u04 h GLN 462 Cb -0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1u04 h GLN 462 CO -0.02 0.58 -0.07 0.28 -0.67 0.00 0.00 178.83 178.93 1u04 h VAL 463 N 0.63 1.28 -0.88 -0.54 2.07 -0.53 -2.82 116.25 115.46 1u04 h VAL 463 Ca 0.17 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1u04 h VAL 463 Cb 0.11 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1u04 h VAL 463 CO -0.02 0.36 0.57 0.77 0.02 0.00 0.00 177.57 179.28 1u04 h SER 464 N 0.43 0.90 -0.79 0.57 4.64 -0.32 -1.45 113.55 117.53 1u04 h SER 464 Ca 0.09 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1u04 h SER 464 Cb 0.56 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1u04 h SER 464 CO 0.03 0.60 0.48 -1.28 -0.87 0.00 0.00 176.83 175.78 1u04 h SER 465 N 1.03 0.96 -0.29 4.97 0.87 -1.11 -2.60 113.55 117.38 1u04 h SER 465 Ca 0.37 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.68 1u04 h SER 465 Cb 0.13 -0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 61.77 1u04 h SER 465 CO -0.13 0.74 0.25 0.49 -0.53 0.00 0.00 176.83 177.65 1u04 n PHE 466 N -4.38 0.93 -1.74 2.24 3.01 -0.55 -5.04 117.46 111.93 1u04 n PHE 466 Ca 0.09 -1.56 0.00 0.00 1.01 0.00 0.00 57.45 56.98 1u04 n PHE 466 Cb 0.07 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 38.77 1u04 n PHE 466 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1u04 n LYS 468 N 0.78 -4.12 -0.99 -1.08 2.85 -0.98 -4.91 118.16 109.72 1u04 n LYS 468 Ca 0.18 3.01 0.00 0.00 -1.05 0.00 0.00 58.31 60.45 1u04 n LYS 468 Cb 0.56 -3.46 0.00 0.00 -0.65 0.00 0.00 35.03 31.48 1u04 n LYS 468 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1u04 n GLY 469 N -0.05 0.67 3.64 2.58 0.00 -1.26 -5.01 105.19 105.76 1u04 n GLY 469 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1u04 n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u04 s LYS 470 N -0.10 2.58 -0.01 1.61 3.01 -1.26 -5.04 119.74 120.53 1u04 s LYS 470 Ca 0.00 -0.74 0.10 0.00 -1.01 0.00 0.00 55.97 54.32 1u04 s LYS 470 Cb 0.00 -2.54 -0.23 0.00 -1.01 0.00 0.00 37.83 34.05 1u04 s LYS 470 CO 0.00 0.59 0.79 1.49 0.51 0.00 0.00 175.35 178.73 1u04 h GLU 471 N 4.15 0.02 -2.39 1.68 4.81 -1.94 -3.48 114.58 117.44 1u04 h GLU 471 Ca -0.48 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 1u04 h GLU 471 Cb 1.17 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.35 1u04 h GLU 471 CO 0.56 0.66 -0.04 -1.17 -0.73 0.00 0.00 179.01 178.29 1u04 s LEU 472 N -6.30 -0.12 0.12 1.64 0.20 -1.26 -4.87 118.68 108.09 1u04 s LEU 472 Ca -0.04 0.93 -0.01 0.00 0.69 0.00 0.00 54.13 55.70 1u04 s LEU 472 Cb 0.08 1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 47.76 1u04 s LEU 472 CO 0.82 -0.30 0.04 -0.83 -0.29 0.00 0.00 176.35 175.79 1u04 s GLY 473 N -0.17 0.94 -0.03 7.98 0.00 -0.12 -3.60 107.32 112.31 1u04 s GLY 473 Ca -0.04 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.26 1u04 s GLY 473 CO 0.03 -1.37 -0.10 1.08 0.00 0.00 0.00 173.10 172.74 1u04 s LEU 474 N -3.04 1.78 -0.09 0.66 1.43 -0.52 -1.36 118.68 117.54 1u04 s LEU 474 Ca 0.22 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1u04 s LEU 474 Cb 0.07 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.69 1u04 s LEU 474 CO 0.00 0.07 -0.16 0.00 0.23 0.00 0.00 176.35 176.49 1u04 s ALA 475 N 0.21 1.63 -0.23 4.21 0.00 0.36 0.37 121.76 128.31 1u04 s ALA 475 Ca -0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1u04 s ALA 475 Cb -0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1u04 s ALA 475 CO 0.01 0.10 -0.01 -0.06 0.00 0.00 0.00 175.76 175.80 1u04 s PHE 476 N 0.68 3.01 -0.14 0.00 0.08 0.11 -0.63 117.98 121.08 1u04 s PHE 476 Ca -0.13 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.02 1u04 s PHE 476 Cb -0.16 -2.14 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1u04 s PHE 476 CO 0.03 -0.53 -0.14 0.42 -0.10 0.00 0.00 175.22 174.90 1u04 s ILE 477 N 1.49 2.86 -0.22 0.64 1.01 -0.15 -0.05 121.20 126.78 1u04 s ILE 477 Ca 0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1u04 s ILE 477 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1u04 s ILE 477 CO -0.02 0.52 -0.01 0.00 0.00 0.00 0.00 174.94 175.43 1u04 s ALA 478 N 0.61 2.92 0.09 9.38 0.00 -0.49 -0.57 121.76 133.69 1u04 s ALA 478 Ca -0.08 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1u04 s ALA 478 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1u04 s ALA 478 CO 0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 175.76 175.31 1u04 s ALA 479 N 1.45 0.93 0.78 0.00 0.00 -1.06 -1.34 121.76 122.52 1u04 s ALA 479 Ca 0.05 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1u04 s ALA 479 Cb -0.14 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.15 1u04 s ALA 479 CO -0.01 -0.15 1.10 1.03 0.00 0.00 0.00 175.76 177.73 1u04 s ARG 480 N -3.17 2.13 0.51 0.00 0.52 -1.26 -0.68 118.95 117.00 1u04 s ARG 480 Ca 0.06 1.22 0.30 0.00 -0.52 0.00 0.00 55.73 56.79 1u04 s ARG 480 Cb 0.01 -1.88 1.06 0.00 0.52 0.00 0.00 34.95 34.66 1u04 s ARG 480 CO -0.03 -1.74 1.87 -0.91 0.02 0.00 0.00 175.30 174.51 1u04 h ASN 481 N -1.17 0.00 0.26 0.23 2.35 -1.95 -3.28 115.58 112.02 1u04 h ASN 481 Ca -0.44 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1u04 h ASN 481 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1u04 h ASN 481 CO 0.50 0.02 -0.05 0.11 -1.65 0.00 0.00 177.43 176.36 1u04 h LYS 482 N 0.00 0.00 -6.70 0.81 1.57 -2.05 -3.45 116.57 106.76 1u04 h LYS 482 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1u04 h LYS 482 Cb 0.66 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.06 1u04 h LYS 482 CO 0.00 0.05 0.73 1.28 -0.57 0.00 0.00 179.45 180.95 1u04 n LEU 483 N -3.52 3.72 -4.67 2.94 4.32 -1.24 -4.96 117.00 113.60 1u04 n LEU 483 Ca -0.02 1.15 -0.30 0.00 -0.02 0.00 0.00 56.01 56.82 1u04 n LEU 483 Cb 0.17 -1.51 0.16 0.00 -1.62 0.00 0.00 43.42 40.62 1u04 n LEU 483 CO 0.27 -0.19 0.65 -0.94 -1.22 0.00 0.00 177.39 175.96 1u04 s SER 484 N 0.34 3.03 0.31 -1.43 1.04 -1.26 -4.87 113.70 110.86 1u04 s SER 484 Ca 0.65 1.72 0.02 0.00 0.48 0.00 0.00 55.95 58.82 1u04 s SER 484 Cb -0.57 -2.35 0.51 0.00 0.10 0.00 0.00 66.02 63.71 1u04 s SER 484 CO 0.50 -2.95 1.86 0.28 0.98 0.00 0.00 173.24 173.91 1u04 h SER 485 N -1.76 0.64 -0.10 7.02 0.02 -1.97 -2.84 113.55 114.55 1u04 h SER 485 Ca -0.49 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1u04 h SER 485 Cb 1.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1u04 h SER 485 CO 0.50 0.65 0.04 -0.08 -1.14 0.00 0.00 176.83 176.80 1u04 h GLU 486 N 0.66 0.08 -0.52 3.45 4.81 -1.95 -1.05 114.58 120.06 1u04 h GLU 486 Ca 0.15 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1u04 h GLU 486 Cb 0.29 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1u04 h GLU 486 CO 0.00 0.06 0.14 0.87 -0.73 0.00 0.00 179.01 179.34 1u04 h LYS 487 N 0.09 0.78 -0.06 1.92 1.57 -1.87 0.28 116.57 119.27 1u04 h LYS 487 Ca 0.04 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1u04 h LYS 487 Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1u04 h LYS 487 CO -0.04 0.70 0.00 0.74 -0.57 0.00 0.00 179.45 180.29 1u04 h PHE 488 N 0.76 0.10 -0.51 -1.35 0.04 -1.28 -1.47 116.94 113.23 1u04 h PHE 488 Ca 0.17 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.95 1u04 h PHE 488 Cb 0.26 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1u04 h PHE 488 CO 0.01 0.35 0.31 1.49 -0.60 0.00 0.00 178.31 179.88 1u04 h GLU 489 N -0.17 0.60 -0.65 1.51 4.57 -0.82 -1.77 114.58 117.85 1u04 h GLU 489 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1u04 h GLU 489 Cb 0.31 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1u04 h GLU 489 CO 0.00 0.40 0.42 0.93 -1.18 0.00 0.00 179.01 179.58 1u04 h GLU 490 N 0.62 0.86 -0.01 1.92 5.08 -0.37 -0.30 114.58 122.37 1u04 h GLU 490 Ca 0.20 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1u04 h GLU 490 Cb 0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1u04 h GLU 490 CO -0.09 0.58 -0.02 0.82 -1.00 0.00 0.00 179.01 179.30 1u04 h ILE 491 N 0.88 0.94 -0.48 3.13 2.04 -0.88 -1.65 117.51 121.49 1u04 h ILE 491 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1u04 h ILE 491 Cb -0.08 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1u04 h ILE 491 CO -0.05 0.00 0.16 0.11 0.00 0.00 0.00 178.15 178.37 1u04 h LYS 492 N -0.03 0.73 -0.35 2.37 1.57 -1.07 -2.13 116.57 117.66 1u04 h LYS 492 Ca 0.01 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1u04 h LYS 492 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1u04 h LYS 492 CO -0.03 0.68 0.09 -0.09 -0.57 0.00 0.00 179.45 179.52 1u04 h ARG 493 N 0.63 0.55 -0.38 3.15 2.43 -0.99 -1.42 114.38 118.35 1u04 h ARG 493 Ca 0.16 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1u04 h ARG 493 Cb 0.24 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1u04 h ARG 493 CO -0.01 0.60 -0.08 0.00 -1.51 0.00 0.00 179.97 178.96 1u04 h ARG 494 N 0.41 0.65 -0.27 0.20 3.08 -1.27 -1.65 114.38 115.52 1u04 h ARG 494 Ca 0.11 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1u04 h ARG 494 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1u04 h ARG 494 CO 0.00 0.73 -0.45 -0.07 -1.07 0.00 0.00 179.97 179.11 1u04 h LEU 495 N 0.60 0.76 -1.35 3.04 3.38 -1.26 -2.89 115.31 117.58 1u04 h LEU 495 Ca 0.11 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1u04 h LEU 495 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u04 h LEU 495 CO 0.03 1.10 -0.30 0.15 0.09 0.00 0.00 178.44 179.51 1u04 h PHE 496 N 0.57 0.05 -0.03 1.13 3.57 -0.75 0.44 116.94 121.91 1u04 h PHE 496 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1u04 h PHE 496 Cb 1.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1u04 h PHE 496 CO 0.05 0.34 0.06 -0.91 -2.23 0.00 0.00 178.31 175.62 1u04 h ASN 497 N 0.04 0.00 -0.55 0.41 2.35 -1.10 0.26 115.58 117.00 1u04 h ASN 497 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u04 h ASN 497 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1u04 h ASN 497 CO 0.04 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.00 1u04 n LEU 498 N -3.46 3.82 -1.30 1.61 4.77 0.07 -4.91 117.00 117.60 1u04 n LEU 498 Ca -0.02 -1.92 -0.12 0.00 -0.03 0.00 0.00 56.01 53.92 1u04 n LEU 498 Cb 0.14 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1u04 n LEU 498 CO 0.23 0.70 -0.15 0.59 -1.33 0.00 0.00 177.39 177.44 1u04 n ASN 499 N 0.96 -3.86 -4.26 -1.43 3.02 0.91 -4.81 115.26 105.78 1u04 n ASN 499 Ca 0.21 0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 1u04 n ASN 499 Cb 0.70 -3.01 -0.14 0.00 -0.61 0.00 0.00 39.78 36.72 1u04 n ASN 499 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u04 s VAL 500 N -2.57 3.12 0.11 2.41 1.01 -0.77 -0.94 120.40 122.76 1u04 s VAL 500 Ca 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1u04 s VAL 500 Cb 0.00 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 1u04 s VAL 500 CO 0.00 0.39 0.61 -0.63 0.00 0.00 0.00 175.10 175.47 1u04 s ILE 501 N 1.43 4.68 0.19 2.22 -1.09 -0.47 -2.80 121.20 125.36 1u04 s ILE 501 Ca 0.05 1.24 0.07 0.00 -2.23 0.00 0.00 60.65 59.78 1u04 s ILE 501 Cb -0.15 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1u04 s ILE 501 CO -0.05 0.47 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.05 1u04 s SER 502 N -1.26 2.45 -0.06 3.58 1.04 -1.26 -0.49 113.70 117.70 1u04 s SER 502 Ca 0.33 -0.98 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 1u04 s SER 502 Cb -0.19 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1u04 s SER 502 CO 0.20 -0.17 0.02 -1.58 0.98 0.00 0.00 173.24 172.70 1u04 s GLN 503 N -3.45 0.38 -0.15 4.02 2.00 0.20 -4.95 119.66 117.71 1u04 s GLN 503 Ca 0.20 0.20 -0.07 0.00 -2.00 0.00 0.00 55.36 53.68 1u04 s GLN 503 Cb -0.01 -0.82 -0.04 0.00 0.80 0.00 0.00 33.01 32.94 1u04 s GLN 503 CO 0.06 -0.31 0.11 0.08 -0.50 0.00 0.00 175.29 174.73 1u04 s VAL 504 N 2.02 5.23 -0.15 1.34 1.01 -1.26 -0.97 120.40 127.62 1u04 s VAL 504 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1u04 s VAL 504 Cb -0.12 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1u04 s VAL 504 CO -0.04 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 1u04 s VAL 505 N -0.40 1.45 0.57 2.92 1.01 0.26 -4.97 120.40 121.25 1u04 s VAL 505 Ca 0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1u04 s VAL 505 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1u04 s VAL 505 CO 0.01 0.41 0.87 0.54 0.00 0.00 0.00 175.10 176.93 1u04 s ASN 506 N 1.53 5.63 0.48 3.32 2.20 -1.26 -2.58 114.94 124.27 1u04 s ASN 506 Ca 0.04 0.65 0.22 0.00 -0.94 0.00 0.00 52.86 52.83 1u04 s ASN 506 Cb -0.13 -1.68 1.25 0.00 -2.00 0.00 0.00 41.25 38.69 1u04 s ASN 506 CO -0.10 -1.01 1.95 -0.08 -2.94 0.00 0.00 177.10 174.92 1u04 h GLU 507 N -0.09 0.18 -0.18 3.55 4.81 -1.17 -2.40 114.58 119.28 1u04 h GLU 507 Ca -0.45 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1u04 h GLU 507 Cb 1.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1u04 h GLU 507 CO 0.60 0.12 0.08 0.22 -0.73 0.00 0.00 179.01 179.30 1u04 h ASP 508 N 0.19 0.24 -0.55 1.04 1.82 -1.94 -0.99 116.42 116.24 1u04 h ASP 508 Ca 0.33 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1u04 h ASP 508 Cb 1.02 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 1u04 h ASP 508 CO -0.06 0.32 0.31 0.74 -1.61 0.00 0.00 179.24 178.94 1u04 h THR 509 N 0.15 1.18 -0.78 2.25 2.02 -1.83 -0.57 112.91 115.33 1u04 h THR 509 Ca 0.06 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1u04 h THR 509 Cb 0.15 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1u04 h THR 509 CO -0.01 0.19 0.43 -0.07 0.37 0.00 0.00 175.52 176.44 1u04 h LEU 510 N 0.74 0.97 0.09 2.58 3.38 -1.26 -1.78 115.31 120.02 1u04 h LEU 510 Ca 0.19 -0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 1u04 h LEU 510 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1u04 h LEU 510 CO -0.03 0.78 -1.53 0.11 0.09 0.00 0.00 178.44 177.86 1u04 h LYS 511 N 1.09 0.18 -0.26 1.13 1.57 -0.96 -3.41 116.57 115.92 1u04 h LYS 511 Ca 0.28 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u04 h LYS 511 Cb 0.02 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1u04 h LYS 511 CO -0.05 1.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.93 1u04 n ASN 512 N -3.37 2.84 -1.15 0.86 3.02 -0.24 -4.56 115.26 112.66 1u04 n ASN 512 Ca -0.16 -1.84 -0.04 0.00 -0.03 0.00 0.00 54.58 52.52 1u04 n ASN 512 Cb 1.03 -0.17 0.14 0.00 -0.61 0.00 0.00 39.78 40.17 1u04 n ASN 512 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u04 n LYS 513 N 0.94 2.19 -2.66 3.52 4.76 -0.67 -5.02 118.16 121.21 1u04 n LYS 513 Ca 0.13 -3.54 -0.37 0.00 -2.87 0.00 0.00 58.31 51.66 1u04 n LYS 513 Cb 0.45 -1.77 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 1u04 n LYS 513 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u04 s ARG 514 N -3.24 4.40 0.31 1.97 0.52 -1.26 0.19 118.95 121.84 1u04 s ARG 514 Ca 0.42 1.43 -0.29 0.00 -0.52 0.00 0.00 55.73 56.76 1u04 s ARG 514 Cb 0.38 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 33.06 1u04 s ARG 514 CO -0.04 0.09 1.49 0.34 0.02 0.00 0.00 175.30 177.20 1u04 s ASP 515 N -1.57 6.48 0.49 0.23 2.15 0.93 -4.51 116.67 120.87 1u04 s ASP 515 Ca 0.53 2.87 0.17 0.00 0.43 0.00 0.00 52.55 56.56 1u04 s ASP 515 Cb -0.20 -2.64 1.19 0.00 -0.30 0.00 0.00 42.92 40.96 1u04 s ASP 515 CO 0.26 -0.80 2.07 0.11 -0.17 0.00 0.00 175.17 176.63 1u04 h LYS 516 N 4.24 0.00 -0.02 4.34 1.57 -1.94 -2.66 116.57 122.10 1u04 h LYS 516 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1u04 h LYS 516 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1u04 h LYS 516 CO 0.73 0.11 -0.03 0.66 -0.57 0.00 0.00 179.45 180.35 1u04 n TYR 517 N -4.29 0.00 -3.17 -1.35 4.01 -1.26 -4.73 117.16 106.37 1u04 n TYR 517 Ca -0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.73 1u04 n TYR 517 Cb 0.18 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1u04 n TYR 517 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1u04 s ASP 518 N -2.04 -1.48 0.00 7.72 2.15 -1.00 -5.02 116.67 117.00 1u04 s ASP 518 Ca 0.31 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.88 1u04 s ASP 518 Cb 0.20 1.89 0.19 0.00 -0.30 0.00 0.00 42.92 44.91 1u04 s ASP 518 CO 0.34 -0.20 1.03 -2.11 -0.17 0.00 0.00 175.17 174.06 1u04 n ARG 519 N 4.68 0.03 -1.01 4.34 1.85 -1.23 -1.06 116.66 124.26 1u04 n ARG 519 Ca 0.09 0.33 -0.03 0.00 -1.00 0.00 0.00 57.85 57.23 1u04 n ARG 519 Cb 0.57 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.81 1u04 n ARG 519 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1u04 n ASN 520 N -1.38 5.11 -3.89 2.89 3.02 -1.26 -4.85 115.26 114.91 1u04 n ASN 520 Ca 0.02 -3.16 -0.11 0.00 -0.03 0.00 0.00 54.58 51.29 1u04 n ASN 520 Cb 0.04 -0.74 -0.13 0.00 -0.61 0.00 0.00 39.78 38.34 1u04 n ASN 520 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1u04 s ARG 521 N -2.95 0.12 0.61 3.52 3.52 -0.23 -4.95 118.95 118.59 1u04 s ARG 521 Ca 0.56 -0.13 -0.13 0.00 -0.13 0.00 0.00 55.73 55.89 1u04 s ARG 521 Cb 0.44 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1u04 s ARG 521 CO 0.14 -0.02 1.04 -1.17 -0.81 0.00 0.00 175.30 174.48 1u04 s LEU 522 N -0.39 3.36 0.78 -0.88 2.96 -1.26 -0.05 118.68 123.19 1u04 s LEU 522 Ca -0.04 1.62 -0.15 0.00 -0.22 0.00 0.00 54.13 55.34 1u04 s LEU 522 Cb -0.03 -4.50 0.02 0.00 0.50 0.00 0.00 46.19 42.18 1u04 s LEU 522 CO -0.00 -1.06 0.84 0.47 -1.32 0.00 0.00 176.35 175.28 1u04 n ASP 523 N -2.40 -0.18 0.01 3.68 8.00 0.50 -4.00 116.55 122.16 1u04 n ASP 523 Ca 0.07 0.58 -0.09 0.00 0.71 0.00 0.00 54.79 56.06 1u04 n ASP 523 Cb 0.54 -1.36 0.07 0.00 -0.02 0.00 0.00 41.12 40.35 1u04 n ASP 523 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1u04 h LEU 524 N -0.65 0.58 0.38 0.64 5.85 -1.94 -0.75 115.31 119.41 1u04 h LEU 524 Ca -0.46 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 57.93 1u04 h LEU 524 Cb 1.32 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1u04 h LEU 524 CO 0.44 1.01 -0.18 0.15 -0.34 0.00 0.00 178.44 179.52 1u04 h PHE 525 N 0.40 -0.47 -0.38 1.25 3.57 -1.91 -2.17 116.94 117.23 1u04 h PHE 525 Ca 0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1u04 h PHE 525 Cb 1.08 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1u04 h PHE 525 CO 0.04 -0.23 0.22 0.28 -2.23 0.00 0.00 178.31 176.39 1u04 h VAL 526 N -0.60 1.04 -0.61 1.41 2.07 -1.91 -2.35 116.25 115.30 1u04 h VAL 526 Ca -0.05 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1u04 h VAL 526 Cb 0.45 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1u04 h VAL 526 CO 0.08 0.08 0.29 0.03 0.02 0.00 0.00 177.57 178.08 1u04 h ARG 527 N 0.45 0.51 -0.28 1.57 3.08 -1.06 0.17 114.38 118.82 1u04 h ARG 527 Ca 0.15 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1u04 h ARG 527 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1u04 h ARG 527 CO -0.07 0.34 0.17 0.45 -1.07 0.00 0.00 179.97 179.78 1u04 h HIS 528 N 0.52 0.38 -0.22 3.04 3.86 -1.14 -1.99 115.15 119.59 1u04 h HIS 528 Ca 0.29 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.41 1u04 h HIS 528 Cb 0.28 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1u04 h HIS 528 CO -0.12 0.29 -0.25 -0.91 0.86 0.00 0.00 177.93 177.80 1u04 h ASN 529 N 0.35 0.42 -0.31 2.45 2.35 -0.84 0.58 115.58 120.58 1u04 h ASN 529 Ca 0.10 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1u04 h ASN 529 Cb 0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1u04 h ASN 529 CO -0.02 0.67 0.14 -0.07 -1.65 0.00 0.00 177.43 176.50 1u04 h LEU 530 N 0.37 0.42 -0.92 1.61 3.38 -0.50 0.43 115.31 120.09 1u04 h LEU 530 Ca 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1u04 h LEU 530 Cb 0.64 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1u04 h LEU 530 CO 0.05 0.44 0.55 0.25 0.09 0.00 0.00 178.44 179.81 1u04 h LEU 531 N 0.37 1.12 -0.61 1.67 5.85 -0.97 -1.91 115.31 120.83 1u04 h LEU 531 Ca 0.11 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1u04 h LEU 531 Cb 0.14 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1u04 h LEU 531 CO -0.01 0.86 0.19 -0.26 -0.34 0.00 0.00 178.44 178.88 1u04 h PHE 532 N 1.28 0.99 -0.02 1.25 0.04 -0.34 -1.81 116.94 118.33 1u04 h PHE 532 Ca 0.33 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 1u04 h PHE 532 Cb -0.04 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.82 1u04 h PHE 532 CO 0.00 0.82 0.01 1.96 -0.60 0.00 0.00 178.31 180.51 1u04 h GLN 533 N 0.88 0.02 0.08 1.51 4.20 -0.53 -1.10 115.11 120.18 1u04 h GLN 533 Ca 0.20 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1u04 h GLN 533 Cb 0.30 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1u04 h GLN 533 CO -0.01 0.08 -0.04 0.28 -0.67 0.00 0.00 178.83 178.48 1u04 h VAL 534 N -0.04 0.93 -0.95 -0.54 2.07 -1.32 -2.16 116.25 114.24 1u04 h VAL 534 Ca 0.01 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1u04 h VAL 534 Cb 0.07 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1u04 h VAL 534 CO -0.00 0.01 0.58 -0.07 0.02 0.00 0.00 177.57 178.11 1u04 h LEU 535 N -0.13 0.83 -1.03 2.57 4.07 -1.26 -0.62 115.31 119.75 1u04 h LEU 535 Ca -0.01 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 1u04 h LEU 535 Cb 0.11 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1u04 h LEU 535 CO 0.02 0.43 -0.47 0.77 -1.08 0.00 0.00 178.44 178.11 1u04 h SER 536 N 0.91 0.00 0.79 -0.43 4.64 -0.90 -0.97 113.55 117.59 1u04 h SER 536 Ca 0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 1u04 h SER 536 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1u04 h SER 536 CO -0.28 0.47 -0.07 0.11 -0.87 0.00 0.00 176.83 176.20 1u04 h LYS 537 N 0.00 0.00 -0.52 4.77 1.57 -0.47 -2.20 116.57 119.72 1u04 h LYS 537 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u04 h LYS 537 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1u04 h LYS 537 CO 0.06 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 1u04 n LEU 538 N -3.23 4.66 -1.15 2.94 4.77 -0.83 -3.46 117.00 120.69 1u04 n LEU 538 Ca -0.00 -2.64 -0.15 0.00 -0.03 0.00 0.00 56.01 53.18 1u04 n LEU 538 Cb 0.30 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1u04 n LEU 538 CO 0.28 0.73 -0.14 0.61 -1.33 0.00 0.00 177.39 177.54 1u04 n GLY 539 N 0.60 1.50 3.71 -0.72 0.00 -0.88 -4.74 105.19 104.66 1u04 n GLY 539 Ca 0.24 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1u04 n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u04 s VAL 540 N -2.46 4.71 -1.22 1.61 1.01 -0.43 -4.51 120.40 119.10 1u04 s VAL 540 Ca 0.00 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1u04 s VAL 540 Cb 0.00 -4.25 0.15 0.00 0.00 0.00 0.00 36.38 32.28 1u04 s VAL 540 CO 0.00 0.14 1.50 -0.54 0.00 0.00 0.00 175.10 176.20 1u04 s LYS 541 N 1.12 4.05 0.00 2.72 3.01 -0.56 -4.50 119.74 125.58 1u04 s LYS 541 Ca 0.53 -2.42 0.25 0.00 -1.01 0.00 0.00 55.97 53.33 1u04 s LYS 541 Cb -0.22 -5.18 1.23 0.00 -1.01 0.00 0.00 37.83 32.65 1u04 s LYS 541 CO 0.27 -1.89 1.82 2.48 0.51 0.00 0.00 175.35 178.55 1u04 n TYR 542 N 6.34 0.05 -4.24 3.18 0.18 -1.26 -0.48 117.16 120.92 1u04 n TYR 542 Ca 0.39 -0.02 -0.13 0.00 1.88 0.00 0.00 57.90 60.02 1u04 n TYR 542 Cb 0.44 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.30 1u04 n TYR 542 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1u04 s TYR 543 N -1.95 1.26 -0.01 -3.48 -0.85 -1.26 -4.60 117.35 106.45 1u04 s TYR 543 Ca 0.37 -1.27 0.02 0.00 -0.52 0.00 0.00 57.07 55.67 1u04 s TYR 543 Cb 0.19 -0.68 0.00 0.00 0.38 0.00 0.00 41.96 41.85 1u04 s TYR 543 CO 0.30 -0.49 -0.06 0.54 -1.52 0.00 0.00 175.55 174.32 1u04 s VAL 544 N -3.97 0.51 -0.29 -3.49 0.11 -0.31 -4.76 120.40 108.21 1u04 s VAL 544 Ca 0.36 -0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1u04 s VAL 544 Cb 0.07 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1u04 s VAL 544 CO 0.11 0.16 0.17 -0.22 -3.33 0.00 0.00 175.10 171.99 1u04 s LEU 545 N 0.10 4.02 -1.53 2.54 2.96 -1.26 -1.26 118.68 124.25 1u04 s LEU 545 Ca -0.01 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 1u04 s LEU 545 Cb -0.05 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1u04 s LEU 545 CO -0.00 -0.11 2.61 -0.67 -1.32 0.00 0.00 176.35 176.86 1u04 n ASP 546 N 5.03 6.81 -3.58 3.68 2.03 0.18 -4.76 116.55 125.94 1u04 n ASP 546 Ca -0.14 -2.73 -0.09 0.00 0.52 0.00 0.00 54.79 52.35 1u04 n ASP 546 Cb 0.51 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.29 1u04 n ASP 546 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1u04 s TYR 547 N 2.22 -0.31 -0.06 -0.67 5.04 -1.26 -4.91 117.35 117.39 1u04 s TYR 547 Ca 0.59 0.50 0.01 0.00 -2.44 0.00 0.00 57.07 55.73 1u04 s TYR 547 Cb 0.16 0.47 0.02 0.00 0.35 0.00 0.00 41.96 42.96 1u04 s TYR 547 CO -0.07 -0.31 -0.07 1.03 -1.34 0.00 0.00 175.55 174.79 1u04 s ARG 548 N -1.33 1.17 0.23 4.97 0.52 -1.26 -4.74 118.95 118.51 1u04 s ARG 548 Ca 0.01 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 1u04 s ARG 548 Cb -0.01 -1.12 -0.09 0.00 0.52 0.00 0.00 34.95 34.26 1u04 s ARG 548 CO -0.01 -0.08 0.95 -0.06 0.02 0.00 0.00 175.30 176.11 1u04 s PHE 549 N 1.01 3.96 -0.03 -0.53 0.08 -0.47 -4.92 117.98 117.08 1u04 s PHE 549 Ca -0.09 1.90 -0.05 0.00 0.12 0.00 0.00 56.93 58.81 1u04 s PHE 549 Cb -0.14 -3.00 -0.22 0.00 -0.57 0.00 0.00 43.02 39.09 1u04 s PHE 549 CO -0.00 0.41 3.40 -1.71 -0.10 0.00 0.00 175.22 177.21 1u04 n ASN 550 N 1.59 5.33 -3.91 1.36 5.15 -1.26 -4.78 115.26 118.74 1u04 n ASN 550 Ca -0.02 -2.52 -0.09 0.00 -0.60 0.00 0.00 54.58 51.36 1u04 n ASN 550 Cb 0.47 -1.38 -0.08 0.00 -0.53 0.00 0.00 39.78 38.27 1u04 n ASN 550 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1u04 s TYR 551 N 0.72 0.22 0.00 1.20 2.02 -1.26 -5.00 117.35 115.26 1u04 s TYR 551 Ca 0.59 -0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 56.45 1u04 s TYR 551 Cb 0.29 -0.13 -0.27 0.00 -0.40 0.00 0.00 41.96 41.45 1u04 s TYR 551 CO -0.01 -0.49 1.04 -0.44 -1.57 0.00 0.00 175.55 174.08 1u04 h ASP 552 N 2.94 0.61 -4.83 2.29 3.32 0.14 -3.37 116.42 117.51 1u04 h ASP 552 Ca -0.34 -0.83 -0.13 0.00 0.02 0.00 0.00 57.03 55.74 1u04 h ASP 552 Cb 1.19 -0.19 -0.21 0.00 0.22 0.00 0.00 39.33 40.34 1u04 h ASP 552 CO 0.57 1.38 -0.37 -0.31 -1.72 0.00 0.00 179.24 178.79 1u04 s TYR 553 N -2.92 -0.11 -0.18 4.55 2.02 -1.17 -3.36 117.35 116.18 1u04 s TYR 553 Ca -0.12 0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1u04 s TYR 553 Cb 0.03 0.04 -0.01 0.00 -0.40 0.00 0.00 41.96 41.62 1u04 s TYR 553 CO 0.85 -0.32 -0.07 0.42 -1.57 0.00 0.00 175.55 174.87 1u04 s ILE 554 N -1.16 3.38 -0.08 2.71 1.09 -0.51 -2.02 121.20 124.60 1u04 s ILE 554 Ca -0.12 -0.51 0.04 0.00 -1.10 0.00 0.00 60.65 58.96 1u04 s ILE 554 Cb -0.06 -2.49 -0.00 0.00 -1.06 0.00 0.00 42.46 38.85 1u04 s ILE 554 CO 0.03 0.46 -0.23 -0.63 -0.10 0.00 0.00 174.94 174.47 1u04 s ILE 555 N 0.96 1.94 -0.12 2.92 1.01 0.13 -1.52 121.20 126.53 1u04 s ILE 555 Ca -0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1u04 s ILE 555 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1u04 s ILE 555 CO 0.00 0.54 -0.01 -0.83 0.00 0.00 0.00 174.94 174.64 1u04 s GLY 556 N 0.23 1.81 0.21 6.18 0.00 0.06 -0.39 107.32 115.42 1u04 s GLY 556 Ca -0.14 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 43.85 1u04 s GLY 556 CO 0.07 -0.35 -0.15 -0.26 0.00 0.00 0.00 173.10 172.40 1u04 s ILE 557 N -0.36 1.84 -0.05 0.90 -4.36 -0.47 0.30 121.20 119.00 1u04 s ILE 557 Ca 0.07 -2.22 -0.02 0.00 -0.26 0.00 0.00 60.65 58.21 1u04 s ILE 557 Cb -0.12 -2.07 0.04 0.00 1.25 0.00 0.00 42.46 41.56 1u04 s ILE 557 CO 0.02 -0.56 0.11 -0.62 0.24 0.00 0.00 174.94 174.13 1u04 s ASP 558 N -3.31 0.01 -0.34 4.36 2.15 -0.86 -4.32 116.67 114.36 1u04 s ASP 558 Ca 0.23 0.22 -0.09 0.00 0.43 0.00 0.00 52.55 53.34 1u04 s ASP 558 Cb -0.02 0.11 0.02 0.00 -0.30 0.00 0.00 42.92 42.73 1u04 s ASP 558 CO 0.08 -0.15 0.16 -0.69 -0.17 0.00 0.00 175.17 174.40 1u04 s VAL 559 N 1.22 4.34 -0.33 1.11 1.01 -1.26 -1.07 120.40 125.41 1u04 s VAL 559 Ca -0.08 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1u04 s VAL 559 Cb -0.12 -3.36 0.18 0.00 0.00 0.00 0.00 36.38 33.08 1u04 s VAL 559 CO -0.05 -0.12 0.52 0.00 0.00 0.00 0.00 175.10 175.45 1u04 s ALA 560 N 1.53 -1.80 0.75 5.51 0.00 -0.69 -4.99 121.76 122.07 1u04 s ALA 560 Ca 0.02 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 1u04 s ALA 560 Cb -0.19 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.56 1u04 s ALA 560 CO 0.05 -1.96 1.01 -2.30 0.00 0.00 0.00 175.76 172.57 1u04 n PRO 561 N 4.98 0.43 -3.74 0.00 -0.02 -1.24 -4.10 135.00 131.31 1u04 n PRO 561 Ca 0.06 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1u04 n PRO 561 Cb 0.52 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.60 1u04 n PRO 561 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1u04 s LYS 563 N -3.52 0.19 0.06 -0.52 2.20 -1.26 -4.92 119.74 111.97 1u04 s LYS 563 Ca 0.73 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.85 1u04 s LYS 563 Cb -0.33 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 35.85 1u04 s LYS 563 CO 0.51 -0.15 -0.08 1.03 -0.36 0.00 0.00 175.35 176.29 1u04 s ARG 564 N 1.17 0.63 -0.54 4.03 0.52 -1.26 -4.82 118.95 118.68 1u04 s ARG 564 Ca -0.09 -0.93 -0.28 0.00 -0.52 0.00 0.00 55.73 53.91 1u04 s ARG 564 Cb -0.10 -0.29 -0.15 0.00 0.52 0.00 0.00 34.95 34.93 1u04 s ARG 564 CO -0.08 0.04 1.78 0.43 0.02 0.00 0.00 175.30 177.49 1u04 n SER 565 N 1.03 0.40 -3.39 0.23 7.64 -1.26 0.44 113.62 118.72 1u04 n SER 565 Ca -0.20 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1u04 n SER 565 Cb 0.56 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 63.10 1u04 n SER 565 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1u04 n GLU 566 N 5.90 -1.44 0.05 1.43 0.00 -1.26 -4.89 120.64 120.43 1u04 n GLU 566 Ca 0.45 1.04 0.00 0.00 0.00 0.00 0.00 57.16 58.64 1u04 n GLU 566 Cb -0.01 -4.58 0.00 0.00 0.00 0.00 0.00 31.44 26.85 1u04 n GLU 566 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u04 n GLY 567 N -1.67 -1.78 3.09 8.31 0.00 0.17 -5.08 105.19 108.23 1u04 n GLY 567 Ca -0.10 0.42 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 1u04 n GLY 567 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u04 n TYR 568 N -2.69 -3.16 -3.62 1.61 -0.00 -1.20 -4.34 117.16 103.76 1u04 n TYR 568 Ca 0.00 1.29 -0.37 0.00 -0.00 0.00 0.00 57.90 58.83 1u04 n TYR 568 Cb 0.00 -3.20 -0.07 0.00 -0.00 0.00 0.00 39.34 36.08 1u04 n TYR 568 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1u04 s ILE 569 N -2.13 5.30 -1.08 2.97 1.01 -1.26 -2.13 121.20 123.88 1u04 s ILE 569 Ca 0.29 0.51 0.25 0.00 0.00 0.00 0.00 60.65 61.69 1u04 s ILE 569 Cb -0.06 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1u04 s ILE 569 CO 0.79 0.49 1.40 0.61 0.00 0.00 0.00 174.94 178.23 1u04 n GLY 570 N 2.74 -1.17 0.00 6.18 0.00 0.11 -4.33 105.19 108.73 1u04 n GLY 570 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1u04 n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u04 n GLY 571 N 1.48 -0.50 3.48 -0.02 0.00 -1.23 -1.70 105.19 106.70 1u04 n GLY 571 Ca 0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1u04 n GLY 571 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u04 s SER 572 N -4.00 0.80 -0.24 1.61 1.04 -0.23 -0.88 113.70 111.79 1u04 s SER 572 Ca 0.00 -1.43 -0.19 0.00 0.48 0.00 0.00 55.95 54.81 1u04 s SER 572 Cb 0.00 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.82 1u04 s SER 572 CO 0.00 -1.26 0.62 0.00 0.98 0.00 0.00 173.24 173.58 1u04 s ALA 573 N -3.21 -1.57 0.46 5.32 0.00 -0.74 -2.02 121.76 119.99 1u04 s ALA 573 Ca 0.30 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.17 1u04 s ALA 573 Cb -0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1u04 s ALA 573 CO 0.19 -0.31 0.07 0.08 0.00 0.00 0.00 175.76 175.79 1u04 s VAL 574 N 0.71 0.82 -0.26 0.00 1.01 0.15 -1.25 120.40 121.58 1u04 s VAL 574 Ca -0.03 -2.00 -0.32 0.00 0.00 0.00 0.00 61.98 59.63 1u04 s VAL 574 Cb -0.05 -2.23 0.17 0.00 0.00 0.00 0.00 36.38 34.28 1u04 s VAL 574 CO -0.05 0.00 1.30 -0.36 0.00 0.00 0.00 175.10 175.99 1u04 s PHE 576 N -3.05 -0.09 0.62 5.22 0.08 -0.58 -0.76 117.98 119.43 1u04 s PHE 576 Ca 0.14 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.34 1u04 s PHE 576 Cb 0.02 0.49 0.08 0.00 -0.57 0.00 0.00 43.02 43.04 1u04 s PHE 576 CO 0.09 -0.09 0.85 0.16 -0.10 0.00 0.00 175.22 176.13 1u04 s ASP 577 N -1.34 4.88 0.04 1.36 1.47 -0.13 -1.43 116.67 121.52 1u04 s ASP 577 Ca 0.08 -0.36 0.05 0.00 1.18 0.00 0.00 52.55 53.51 1u04 s ASP 577 Cb -0.01 -0.27 0.25 0.00 -0.34 0.00 0.00 42.92 42.56 1u04 s ASP 577 CO -0.06 -1.45 1.17 -1.54 0.68 0.00 0.00 175.17 173.97 1u04 n SER 578 N -2.49 0.07 -0.69 2.11 3.41 -1.21 -1.28 113.62 113.54 1u04 n SER 578 Ca 0.12 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1u04 n SER 578 Cb 0.60 -0.54 0.35 0.00 -0.26 0.00 0.00 64.21 64.36 1u04 n SER 578 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1u04 n GLN 579 N -1.59 1.92 -0.96 4.33 7.27 -1.26 -1.37 117.38 125.71 1u04 n GLN 579 Ca 0.01 -1.38 0.00 0.00 0.07 0.00 0.00 57.00 55.70 1u04 n GLN 579 Cb 0.04 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.25 1u04 n GLN 579 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u04 n GLY 580 N 1.23 0.41 3.59 1.69 0.00 -0.40 -4.44 105.19 107.27 1u04 n GLY 580 Ca 0.17 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1u04 n GLY 580 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u04 s TYR 581 N -2.00 3.02 0.14 1.61 2.02 -1.26 -4.92 117.35 115.96 1u04 s TYR 581 Ca 0.00 0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 1u04 s TYR 581 Cb 0.00 -1.78 -0.07 0.00 -0.40 0.00 0.00 41.96 39.71 1u04 s TYR 581 CO 0.00 0.30 1.09 -1.50 -1.57 0.00 0.00 175.55 173.87 1u04 s ILE 582 N -0.60 4.04 0.00 2.71 2.07 -1.26 -0.96 121.20 127.20 1u04 s ILE 582 Ca 0.09 1.67 0.00 0.00 -1.41 0.00 0.00 60.65 61.00 1u04 s ILE 582 Cb -0.12 -4.07 0.00 0.00 0.13 0.00 0.00 42.46 38.40 1u04 s ILE 582 CO 0.02 0.25 0.00 0.54 -1.91 0.00 0.00 174.94 173.84 1u04 n ARG 583 N 2.80 0.23 -4.01 3.50 5.12 -1.26 -4.60 116.66 118.43 1u04 n ARG 583 Ca 0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.82 1u04 n ARG 583 Cb 0.47 -1.00 -0.14 0.00 -1.16 0.00 0.00 32.46 30.63 1u04 n ARG 583 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1u04 s LYS 584 N -1.99 0.23 -0.11 5.56 -0.14 -1.26 -2.63 119.74 119.39 1u04 s LYS 584 Ca 0.00 -0.16 -0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1u04 s LYS 584 Cb 0.00 -0.18 0.02 0.00 -1.68 0.00 0.00 37.83 35.99 1u04 s LYS 584 CO 0.00 0.05 -0.08 0.42 -0.76 0.00 0.00 175.35 174.98 1u04 s ILE 585 N -0.23 1.02 0.05 2.17 1.01 -0.81 -4.38 121.20 120.03 1u04 s ILE 585 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1u04 s ILE 585 Cb -0.02 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1u04 s ILE 585 CO -0.00 0.37 -0.08 0.68 0.00 0.00 0.00 174.94 175.90 1u04 s VAL 586 N 1.71 0.62 0.40 2.92 -7.23 -0.38 -4.63 120.40 113.82 1u04 s VAL 586 Ca 0.05 -1.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.92 1u04 s VAL 586 Cb -0.13 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 1u04 s VAL 586 CO -0.08 -0.42 0.75 -2.84 -0.31 0.00 0.00 175.10 172.19 1u04 s PRO 587 N -1.86 3.73 -0.46 4.82 0.02 -1.26 -1.79 135.00 138.19 1u04 s PRO 587 Ca -0.07 0.38 0.04 0.00 0.02 0.00 0.00 61.00 61.37 1u04 s PRO 587 Cb -0.08 -2.41 0.12 0.00 0.02 0.00 0.00 34.50 32.14 1u04 s PRO 587 CO 0.00 -0.04 0.19 0.42 -0.33 0.00 0.00 177.00 177.25 1u04 s ILE 588 N -2.40 2.55 0.30 2.83 1.01 -0.06 -4.90 121.20 120.53 1u04 s ILE 588 Ca 0.50 -2.94 -0.29 0.00 0.00 0.00 0.00 60.65 57.92 1u04 s ILE 588 Cb -0.10 -2.80 -0.10 0.00 0.01 0.00 0.00 42.46 39.46 1u04 s ILE 588 CO 0.33 -0.73 1.37 -0.75 0.00 0.00 0.00 174.94 175.17 1u04 s LYS 589 N 0.17 4.30 0.00 2.79 2.20 -1.26 0.09 119.74 128.04 1u04 s LYS 589 Ca 0.15 2.27 -0.08 0.00 -0.36 0.00 0.00 55.97 57.95 1u04 s LYS 589 Cb -0.23 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1u04 s LYS 589 CO -0.03 -0.31 0.15 0.96 -0.36 0.00 0.00 175.35 175.76 1u04 s ILE 590 N -0.64 0.08 1.10 5.43 -4.36 -0.91 -4.78 121.20 117.12 1u04 s ILE 590 Ca 0.54 -0.67 -0.18 0.00 -0.26 0.00 0.00 60.65 60.07 1u04 s ILE 590 Cb -0.41 -0.45 0.27 0.00 1.25 0.00 0.00 42.46 43.12 1u04 s ILE 590 CO 0.49 -0.37 1.12 0.61 0.24 0.00 0.00 174.94 177.04 1u04 n GLY 591 N 1.44 -2.34 3.76 6.27 0.00 -1.26 -4.67 105.19 108.40 1u04 n GLY 591 Ca -0.23 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1u04 n GLY 591 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u04 s GLU 592 N -5.51 4.22 0.11 1.61 2.12 -1.26 -4.96 118.70 115.02 1u04 s GLU 592 Ca 0.69 2.41 -0.30 0.00 0.36 0.00 0.00 54.97 58.14 1u04 s GLU 592 Cb -0.05 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 1u04 s GLU 592 CO 0.52 -0.43 0.99 -0.65 -0.54 0.00 0.00 175.26 175.14 1u04 s GLN 593 N -1.31 4.67 0.00 4.30 -0.21 -1.26 -5.01 119.66 120.84 1u04 s GLN 593 Ca 0.55 1.49 0.00 0.00 0.02 0.00 0.00 55.36 57.42 1u04 s GLN 593 Cb -0.44 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.20 1u04 s GLN 593 CO 0.53 0.16 0.10 0.54 -2.12 0.00 0.00 175.29 174.50 1u04 n ARG 594 N 2.88 0.00 -1.86 2.91 5.12 -1.26 -4.92 116.66 119.53 1u04 n ARG 594 Ca 0.03 0.07 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 1u04 n ARG 594 Cb 0.49 -0.66 0.08 0.00 -1.16 0.00 0.00 32.46 31.21 1u04 n ARG 594 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1u04 s GLY 595 N -0.96 1.60 -1.00 -0.13 0.00 -1.26 -4.89 107.32 100.68 1u04 s GLY 595 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 1u04 s GLY 595 CO 0.00 -0.06 2.06 1.18 0.00 0.00 0.00 173.10 176.28 1u04 n GLU 596 N -3.23 2.00 -3.65 2.90 -0.58 -1.26 -4.68 120.64 112.13 1u04 n GLU 596 Ca 0.07 -2.01 -0.04 0.00 -0.42 0.00 0.00 57.16 54.77 1u04 n GLU 596 Cb 0.59 -2.95 -0.07 0.00 -0.57 0.00 0.00 31.44 28.44 1u04 n GLU 596 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1u04 s SER 597 N 4.25 -0.14 0.13 1.62 0.15 -1.26 -5.15 113.70 113.29 1u04 s SER 597 Ca 0.53 0.27 -0.30 0.00 0.70 0.00 0.00 55.95 57.14 1u04 s SER 597 Cb 0.14 0.35 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1u04 s SER 597 CO 0.04 -0.05 1.21 -0.69 1.20 0.00 0.00 173.24 174.95 1u04 s VAL 598 N 0.18 3.77 0.86 4.45 1.01 -1.26 -4.73 120.40 124.68 1u04 s VAL 598 Ca 0.05 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 1u04 s VAL 598 Cb -0.05 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1u04 s VAL 598 CO -0.13 0.16 1.17 -0.62 0.00 0.00 0.00 175.10 175.68 1u04 s ASP 599 N 0.58 3.98 0.00 3.32 -1.08 -1.26 -5.03 116.67 117.17 1u04 s ASP 599 Ca 0.56 0.81 0.00 0.00 -0.52 0.00 0.00 52.55 53.40 1u04 s ASP 599 Cb -0.31 -1.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 1u04 s ASP 599 CO 0.33 -2.24 0.00 0.59 0.52 0.00 0.00 175.17 174.37 1u04 n ASN 601 N -3.54 0.00 -0.16 -0.34 3.02 -1.26 -1.05 115.26 111.93 1u04 n ASN 601 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.53 1u04 n ASN 601 Cb 0.60 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1u04 n ASN 601 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1u04 h GLU 602 N 0.00 0.85 0.49 3.52 4.81 -1.96 -1.74 114.58 120.55 1u04 h GLU 602 Ca 0.00 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1u04 h GLU 602 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1u04 h GLU 602 CO 0.00 0.93 -0.49 0.35 -0.73 0.00 0.00 179.01 179.08 1u04 h PHE 603 N 0.69 -1.35 -0.54 0.92 3.57 -1.45 0.16 116.94 118.94 1u04 h PHE 603 Ca 0.12 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1u04 h PHE 603 Cb 0.59 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1u04 h PHE 603 CO 0.05 -0.65 0.10 0.74 -2.23 0.00 0.00 178.31 176.32 1u04 h PHE 604 N -0.97 0.88 -0.43 0.41 0.04 -1.84 -2.40 116.94 112.63 1u04 h PHE 604 Ca -0.06 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.63 1u04 h PHE 604 Cb 0.84 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 1u04 h PHE 604 CO -0.25 0.75 0.27 -0.22 -0.60 0.00 0.00 178.31 178.27 1u04 h LYS 605 N 0.81 0.52 -1.89 1.51 3.64 -1.13 -0.53 116.57 119.50 1u04 h LYS 605 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1u04 h LYS 605 Cb 0.34 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1u04 h LYS 605 CO 0.00 0.35 0.00 -1.91 -2.27 0.00 0.00 179.45 175.62 1u04 n GLU 606 N -4.82 0.22 0.00 1.90 4.07 0.03 -1.34 120.64 120.69 1u04 n GLU 606 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1u04 n GLU 606 Cb 0.05 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 1u04 n GLU 606 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1u04 n VAL 608 N 1.40 0.00 -0.17 6.31 0.31 -0.21 0.27 118.33 126.24 1u04 n VAL 608 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1u04 n VAL 608 Cb 0.11 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.17 1u04 n VAL 608 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1u04 h ASP 609 N 0.00 0.89 -0.49 4.52 3.32 -1.46 -2.13 116.42 121.06 1u04 h ASP 609 Ca 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 1u04 h ASP 609 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1u04 h ASP 609 CO 0.00 0.89 0.03 0.50 -1.72 0.00 0.00 179.24 178.95 1u04 h LYS 610 N 0.89 0.85 -0.58 3.56 1.63 -0.43 -0.97 116.57 121.52 1u04 h LYS 610 Ca 0.18 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1u04 h LYS 610 Cb 0.38 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 1u04 h LYS 610 CO 0.01 0.87 0.21 0.74 -3.45 0.00 0.00 179.45 177.83 1u04 h PHE 611 N 0.71 0.85 -0.50 1.91 0.04 -1.75 -0.99 116.94 117.22 1u04 h PHE 611 Ca 0.14 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1u04 h PHE 611 Cb 0.47 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1u04 h PHE 611 CO 0.03 0.67 0.24 -0.22 -0.60 0.00 0.00 178.31 178.44 1u04 h LYS 612 N 0.83 0.73 -0.13 1.51 3.64 -1.01 0.12 116.57 122.26 1u04 h LYS 612 Ca 0.19 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1u04 h LYS 612 Cb 0.19 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1u04 h LYS 612 CO -0.01 0.61 0.10 1.49 -2.27 0.00 0.00 179.45 179.37 1u04 h GLU 613 N 0.67 0.00 -0.48 1.90 4.81 -0.33 0.93 114.58 122.09 1u04 h GLU 613 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1u04 h GLU 613 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1u04 h GLU 613 CO -0.02 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.45 1u04 n PHE 614 N -4.33 0.65 -1.51 0.92 0.99 0.29 -4.92 117.46 109.54 1u04 n PHE 614 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.16 1u04 n PHE 614 Cb 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 38.64 1u04 n PHE 614 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1u04 n ASN 615 N 0.59 -1.41 -3.62 4.37 3.02 0.32 -5.03 115.26 113.49 1u04 n ASN 615 Ca 0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.44 1u04 n ASN 615 Cb 0.42 -0.44 -0.17 0.00 -0.61 0.00 0.00 39.78 38.98 1u04 n ASN 615 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1u04 s ILE 616 N -2.00 -0.10 -0.20 2.41 -1.09 -0.39 -4.99 121.20 114.84 1u04 s ILE 616 Ca 0.00 -0.02 -0.17 0.00 -2.23 0.00 0.00 60.65 58.24 1u04 s ILE 616 Cb 0.00 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.37 1u04 s ILE 616 CO 0.00 -0.17 0.43 -0.54 -1.23 0.00 0.00 174.94 173.43 1u04 s LYS 617 N 2.16 4.18 -0.05 2.79 1.02 -1.26 -2.38 119.74 126.19 1u04 s LYS 617 Ca 0.03 0.26 -0.05 0.00 0.02 0.00 0.00 55.97 56.22 1u04 s LYS 617 Cb -0.15 -3.54 -0.28 0.00 -0.52 0.00 0.00 37.83 33.34 1u04 s LYS 617 CO -0.08 -0.06 0.65 -0.07 -0.92 0.00 0.00 175.35 174.87 1u04 h LEU 618 N 7.67 0.44 -9.38 3.17 3.38 -1.96 -3.47 115.31 115.16 1u04 h LEU 618 Ca -0.36 -0.73 -0.63 0.00 0.09 0.00 0.00 57.88 56.25 1u04 h LEU 618 Cb 1.16 -0.14 0.06 0.00 0.09 0.00 0.00 40.66 41.82 1u04 h LEU 618 CO 0.72 1.63 0.62 -0.90 0.09 0.00 0.00 178.44 180.60 1u04 n ASP 619 N -3.47 2.33 0.00 -0.43 5.75 -1.26 -1.25 116.55 118.22 1u04 n ASP 619 Ca -0.23 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.65 1u04 n ASP 619 Cb 1.06 -1.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1u04 n ASP 619 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1u04 n ASN 620 N 2.99 -1.43 -4.62 -1.12 6.94 -0.62 -4.98 115.26 112.42 1u04 n ASN 620 Ca 0.18 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.47 1u04 n ASN 620 Cb 0.24 -0.24 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1u04 n ASN 620 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1u04 s LYS 621 N -0.63 1.96 -0.22 -3.83 -0.14 -0.38 -4.97 119.74 111.53 1u04 s LYS 621 Ca 0.00 -2.05 -0.05 0.00 -1.36 0.00 0.00 55.97 52.51 1u04 s LYS 621 Cb 0.00 -1.69 -0.02 0.00 -1.68 0.00 0.00 37.83 34.44 1u04 s LYS 621 CO 0.00 -0.02 0.01 0.21 -0.76 0.00 0.00 175.35 174.79 1u04 s LYS 622 N -3.71 3.57 0.08 1.68 2.20 -1.26 -1.25 119.74 121.05 1u04 s LYS 622 Ca 0.35 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1u04 s LYS 622 Cb 0.08 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1u04 s LYS 622 CO 0.18 -0.08 -0.11 0.96 -0.36 0.00 0.00 175.35 175.93 1u04 s ILE 623 N 1.26 0.94 -0.28 5.43 -4.36 -0.78 0.84 121.20 124.25 1u04 s ILE 623 Ca 0.04 -1.42 -0.08 0.00 -0.26 0.00 0.00 60.65 58.92 1u04 s ILE 623 Cb -0.15 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 1u04 s ILE 623 CO 0.01 -0.40 0.11 -0.22 0.24 0.00 0.00 174.94 174.68 1u04 s LEU 624 N -2.03 3.79 -0.13 0.37 2.96 -0.86 -0.93 118.68 121.85 1u04 s LEU 624 Ca -0.00 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1u04 s LEU 624 Cb -0.07 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1u04 s LEU 624 CO 0.01 -0.12 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.61 1u04 s LEU 625 N 1.61 2.97 0.07 -0.68 0.20 0.39 0.22 118.68 123.47 1u04 s LEU 625 Ca 0.05 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1u04 s LEU 625 Cb -0.16 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1u04 s LEU 625 CO 0.05 0.20 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.47 1u04 s LEU 626 N 0.17 2.38 0.20 -0.68 1.43 0.47 -4.36 118.68 118.30 1u04 s LEU 626 Ca -0.05 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1u04 s LEU 626 Cb -0.14 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1u04 s LEU 626 CO 0.04 -0.32 0.14 0.00 0.23 0.00 0.00 176.35 176.44 1u04 s ARG 627 N -2.69 1.22 -0.84 1.70 1.04 -1.26 -1.36 118.95 116.75 1u04 s ARG 627 Ca 0.01 -1.62 -0.25 0.00 -1.04 0.00 0.00 55.73 52.83 1u04 s ARG 627 Cb -0.03 0.28 0.04 0.00 -2.04 0.00 0.00 34.95 33.20 1u04 s ARG 627 CO -0.02 -0.40 1.34 0.34 -0.04 0.00 0.00 175.30 176.52 1u04 s ASP 628 N -3.16 6.29 0.00 -2.89 -1.08 -1.26 -4.43 116.67 110.14 1u04 s ASP 628 Ca 0.38 -0.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.58 1u04 s ASP 628 Cb 0.07 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1u04 s ASP 628 CO 0.12 -1.71 0.00 0.61 0.52 0.00 0.00 175.17 174.71 1u04 n GLY 629 N 5.93 0.00 3.78 2.66 0.00 0.72 -5.01 105.19 113.27 1u04 n GLY 629 Ca 0.14 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 1u04 n GLY 629 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u04 s ARG 630 N 0.00 4.56 -0.27 1.61 3.52 -1.26 -2.00 118.95 125.11 1u04 s ARG 630 Ca 0.00 1.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.69 1u04 s ARG 630 Cb 0.00 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1u04 s ARG 630 CO 0.00 0.24 1.20 0.42 -0.81 0.00 0.00 175.30 176.36 1u04 s ILE 631 N -1.58 4.33 0.84 4.11 -1.09 -1.26 -5.00 121.20 121.56 1u04 s ILE 631 Ca 0.50 1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 60.36 1u04 s ILE 631 Cb -0.20 -4.21 0.10 0.00 -1.58 0.00 0.00 42.46 36.57 1u04 s ILE 631 CO 0.25 -0.37 1.11 0.42 -1.23 0.00 0.00 174.94 175.12 1u04 s THR 632 N 3.85 2.70 0.18 2.92 -4.23 -1.26 -4.85 115.64 114.95 1u04 s THR 632 Ca 0.52 0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 61.13 1u04 s THR 632 Cb -0.16 -2.95 0.10 0.00 1.34 0.00 0.00 72.50 70.83 1u04 s THR 632 CO 0.17 -0.30 1.79 0.78 -0.54 0.00 0.00 174.62 176.53 1u04 h ASN 633 N -1.27 0.80 -0.32 3.99 2.35 -1.99 -0.41 115.58 118.74 1u04 h ASN 633 Ca -0.48 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.12 1u04 h ASN 633 Cb 1.29 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1u04 h ASN 633 CO 0.60 0.68 0.07 0.78 -1.65 0.00 0.00 177.43 177.90 1u04 h ASN 634 N 0.87 0.56 0.42 5.81 4.21 -1.99 -0.15 115.58 125.30 1u04 h ASN 634 Ca 0.22 -0.09 -0.16 0.00 1.21 0.00 0.00 56.30 57.48 1u04 h ASN 634 Cb 0.06 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1u04 h ASN 634 CO -0.03 0.58 -0.69 -0.33 -1.29 0.00 0.00 177.43 175.67 1u04 h GLU 635 N 0.58 0.24 -0.17 0.81 5.08 -1.75 -0.12 114.58 119.26 1u04 h GLU 635 Ca 0.13 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1u04 h GLU 635 Cb 0.27 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1u04 h GLU 635 CO 0.00 0.83 -0.06 1.49 -1.00 0.00 0.00 179.01 180.27 1u04 h GLU 636 N 0.17 0.34 0.06 2.33 4.81 -0.50 0.11 114.58 121.89 1u04 h GLU 636 Ca -0.02 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1u04 h GLU 636 Cb 1.23 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1u04 h GLU 636 CO 0.11 0.64 -0.18 0.93 -0.73 0.00 0.00 179.01 179.77 1u04 h GLU 637 N 0.03 -0.31 -0.80 1.92 5.08 -0.95 0.31 114.58 119.86 1u04 h GLU 637 Ca 0.04 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1u04 h GLU 637 Cb 0.53 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1u04 h GLU 637 CO 0.02 -0.21 0.53 0.78 -1.00 0.00 0.00 179.01 179.13 1u04 h GLY 638 N -0.33 0.78 2.00 -3.84 0.00 -0.92 0.15 103.07 100.92 1u04 h GLY 638 Ca 0.04 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1u04 h GLY 638 CO -0.13 0.05 -0.83 1.41 0.00 0.00 0.00 176.54 177.03 1u04 h LEU 639 N 0.44 0.00 -0.47 3.11 3.38 0.84 -2.49 115.31 120.11 1u04 h LEU 639 Ca 0.40 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.22 1u04 h LEU 639 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1u04 h LEU 639 CO -0.14 0.83 -0.31 0.11 0.09 0.00 0.00 178.44 179.03 1u04 h LYS 640 N 0.00 0.93 0.23 1.13 1.57 0.20 -1.70 116.57 118.94 1u04 h LYS 640 Ca -0.01 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1u04 h LYS 640 Cb 1.52 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.79 1u04 h LYS 640 CO 0.11 1.10 -0.29 -0.92 -0.57 0.00 0.00 179.45 178.88 1u04 h TYR 641 N 0.78 -0.77 0.00 -1.35 3.20 -0.72 -1.64 116.97 116.46 1u04 h TYR 641 Ca 0.08 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1u04 h TYR 641 Cb 0.89 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 1u04 h TYR 641 CO 0.06 -0.41 -0.10 0.97 -1.64 0.00 0.00 178.16 177.03 1u04 h ILE 642 N -0.57 0.32 -0.03 1.81 2.10 -1.45 -3.13 117.51 116.56 1u04 h ILE 642 Ca 0.00 -0.67 -0.04 0.00 1.08 0.00 0.00 64.86 65.23 1u04 h ILE 642 Cb 0.55 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1u04 h ILE 642 CO -0.09 0.10 -0.14 -1.28 -1.08 0.00 0.00 178.15 175.65 1u04 h SER 643 N 0.00 0.17 0.00 2.19 0.87 -0.72 -2.81 113.55 113.25 1u04 h SER 643 Ca -0.00 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1u04 h SER 643 Cb 0.50 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1u04 h SER 643 CO 0.01 0.82 0.00 1.21 -0.53 0.00 0.00 176.83 178.34 1u04 n GLU 644 N -4.61 0.54 0.00 2.24 4.07 -0.67 -0.10 120.64 122.10 1u04 n GLU 644 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1u04 n GLU 644 Cb 0.41 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 1u04 n GLU 644 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1u04 n PHE 646 N 0.34 0.00 -3.56 4.31 3.72 -1.06 -4.80 117.46 116.42 1u04 n PHE 646 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1u04 n PHE 646 Cb 0.17 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1u04 n PHE 646 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1u04 n ASP 647 N 0.00 -1.63 -4.64 4.37 8.00 0.85 -2.05 116.55 121.46 1u04 n ASP 647 Ca 0.00 -0.72 -0.35 0.00 0.71 0.00 0.00 54.79 54.43 1u04 n ASP 647 Cb 0.00 -4.60 -0.10 0.00 -0.02 0.00 0.00 41.12 36.40 1u04 n ASP 647 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u04 s ILE 648 N -3.51 4.95 -0.53 0.53 1.01 -0.11 -1.60 121.20 121.93 1u04 s ILE 648 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1u04 s ILE 648 Cb -0.00 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.25 1u04 s ILE 648 CO 0.77 0.42 0.88 -0.70 0.00 0.00 0.00 174.94 176.32 1u04 s GLU 649 N 0.62 3.32 -0.29 2.79 2.12 -0.38 -4.47 118.70 122.41 1u04 s GLU 649 Ca 0.05 -0.32 -0.11 0.00 0.36 0.00 0.00 54.97 54.95 1u04 s GLU 649 Cb -0.13 -4.04 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 1u04 s GLU 649 CO 0.01 -1.40 0.19 0.08 -0.54 0.00 0.00 175.26 173.60 1u04 s VAL 650 N 3.69 5.23 -0.15 3.70 1.01 0.29 -1.86 120.40 132.32 1u04 s VAL 650 Ca 0.28 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 1u04 s VAL 650 Cb -0.13 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1u04 s VAL 650 CO 0.19 0.22 0.01 -0.69 0.00 0.00 0.00 175.10 174.82 1u04 s VAL 651 N 1.74 4.31 0.37 2.92 1.01 -0.11 0.40 120.40 131.06 1u04 s VAL 651 Ca 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1u04 s VAL 651 Cb -0.16 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1u04 s VAL 651 CO 0.10 0.51 0.57 0.28 0.00 0.00 0.00 175.10 176.56 1u04 s THR 652 N 0.07 0.00 -0.16 3.92 -1.32 -0.89 -0.46 115.64 116.81 1u04 s THR 652 Ca 0.02 -1.45 -0.18 0.00 -1.21 0.00 0.00 61.69 58.87 1u04 s THR 652 Cb -0.13 -2.76 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1u04 s THR 652 CO 0.02 0.00 0.51 -1.81 -2.21 0.00 0.00 174.62 171.12 1u04 s ASP 654 N -3.22 6.64 -0.39 8.08 1.01 0.48 -1.17 116.67 128.10 1u04 s ASP 654 Ca 0.27 0.76 0.03 0.00 0.71 0.00 0.00 52.55 54.33 1u04 s ASP 654 Cb -0.02 -2.29 0.11 0.00 1.01 0.00 0.00 42.92 41.73 1u04 s ASP 654 CO 0.19 -0.09 0.11 -0.69 0.21 0.00 0.00 175.17 174.91 1u04 s VAL 655 N 1.11 2.46 -0.25 -1.27 1.01 -0.85 -1.94 120.40 120.67 1u04 s VAL 655 Ca 0.25 -2.53 -0.07 0.00 0.00 0.00 0.00 61.98 59.63 1u04 s VAL 655 Cb -0.15 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1u04 s VAL 655 CO 0.10 -0.65 0.08 -0.63 0.00 0.00 0.00 175.10 173.99 1u04 s ILE 656 N 0.66 4.31 -0.07 2.22 1.01 0.11 -0.20 121.20 129.24 1u04 s ILE 656 Ca 0.12 -0.21 0.22 0.00 0.00 0.00 0.00 60.65 60.78 1u04 s ILE 656 Cb -0.21 -3.04 -0.27 0.00 0.01 0.00 0.00 42.46 38.95 1u04 s ILE 656 CO -0.06 0.31 0.59 2.29 0.00 0.00 0.00 174.94 178.07 1u04 n LYS 657 N 4.93 0.65 -3.51 2.79 2.85 -1.26 0.30 118.16 124.90 1u04 n LYS 657 Ca -0.16 -0.13 -0.42 0.00 -1.05 0.00 0.00 58.31 56.55 1u04 n LYS 657 Cb 0.51 -1.58 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 1u04 n LYS 657 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1u04 s ASN 658 N -4.70 5.95 0.15 -5.58 0.01 -1.26 -4.94 114.94 104.56 1u04 s ASN 658 Ca -0.07 -2.42 -0.10 0.00 -0.71 0.00 0.00 52.86 49.56 1u04 s ASN 658 Cb 0.13 -2.04 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 1u04 s ASN 658 CO 0.89 -0.58 0.29 -1.38 -1.51 0.00 0.00 177.10 174.81 1u04 s HIS 659 N 0.60 0.25 -2.01 2.20 -3.43 -1.26 -5.08 115.29 106.56 1u04 s HIS 659 Ca 0.13 -0.63 0.26 0.00 -0.80 0.00 0.00 55.06 54.02 1u04 s HIS 659 Cb -0.20 0.01 0.62 0.00 -1.43 0.00 0.00 32.58 31.58 1u04 s HIS 659 CO -0.04 -0.69 1.48 -0.35 -2.00 0.00 0.00 174.74 173.14 1u04 n PRO 660 N -0.19 1.14 -2.39 -0.38 -0.04 -1.26 -4.96 135.00 126.91 1u04 n PRO 660 Ca -0.10 -0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 62.18 1u04 n PRO 660 Cb 0.63 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1u04 n PRO 660 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u04 s VAL 661 N -2.39 4.01 -0.01 0.52 1.01 -1.26 -4.64 120.40 117.64 1u04 s VAL 661 Ca 0.26 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.68 1u04 s VAL 661 Cb 0.19 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1u04 s VAL 661 CO 0.49 0.07 -0.10 -0.13 0.00 0.00 0.00 175.10 175.43 1u04 s ARG 662 N 1.48 0.80 -0.21 2.72 1.81 -1.26 -4.63 118.95 119.66 1u04 s ARG 662 Ca 0.59 -0.35 -0.05 0.00 -1.72 0.00 0.00 55.73 54.20 1u04 s ARG 662 Cb -0.29 -0.78 -0.02 0.00 -0.45 0.00 0.00 34.95 33.41 1u04 s ARG 662 CO 0.27 0.21 0.01 0.00 -0.68 0.00 0.00 175.30 175.11 1u04 s ALA 663 N -0.21 3.04 -1.51 2.13 0.00 -1.26 -1.80 121.76 122.15 1u04 s ALA 663 Ca 0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1u04 s ALA 663 Cb -0.04 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1u04 s ALA 663 CO -0.00 -0.25 2.52 1.19 0.00 0.00 0.00 175.76 179.22 1u04 n PHE 664 N 4.45 2.96 -3.64 0.00 3.72 0.44 -4.78 117.46 120.60 1u04 n PHE 664 Ca -0.17 -3.00 -0.15 0.00 -0.05 0.00 0.00 57.45 54.08 1u04 n PHE 664 Cb 0.52 -2.43 -0.08 0.00 -0.94 0.00 0.00 39.48 36.55 1u04 n PHE 664 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u04 s ALA 665 N 2.23 -1.45 -0.51 4.37 0.00 -1.26 -4.67 121.76 120.47 1u04 s ALA 665 Ca 0.56 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 1u04 s ALA 665 Cb 0.16 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.90 1u04 s ALA 665 CO -0.07 -0.31 0.42 1.21 0.00 0.00 0.00 175.76 177.02 1u04 s ASN 666 N -0.42 5.93 -0.07 0.00 2.47 -1.26 -4.69 114.94 116.90 1u04 s ASN 666 Ca -0.06 -1.88 -0.11 0.00 0.42 0.00 0.00 52.86 51.23 1u04 s ASN 666 Cb -0.03 -2.10 -0.05 0.00 -1.45 0.00 0.00 41.25 37.62 1u04 s ASN 666 CO 0.04 -0.76 0.27 -0.54 -3.72 0.00 0.00 177.10 172.39 1u04 s LYS 668 N 1.43 3.72 -0.09 0.43 1.02 -1.26 -4.81 119.74 120.19 1u04 s LYS 668 Ca 0.05 0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 1u04 s LYS 668 Cb -0.28 -3.22 0.09 0.00 -0.52 0.00 0.00 37.83 33.90 1u04 s LYS 668 CO 0.01 0.70 0.81 1.52 -0.92 0.00 0.00 175.35 177.46 1u04 s TYR 670 N -0.93 -0.54 0.15 3.18 -0.85 -0.97 -3.57 117.35 113.82 1u04 s TYR 670 Ca 0.19 0.90 -0.21 0.00 -0.52 0.00 0.00 57.07 57.43 1u04 s TYR 670 Cb -0.14 0.43 0.06 0.00 0.38 0.00 0.00 41.96 42.69 1u04 s TYR 670 CO 0.08 -0.51 0.54 -0.59 -1.52 0.00 0.00 175.55 173.55 1u04 s PHE 671 N -1.24 -0.43 -0.22 -3.49 -0.12 -0.34 -1.97 117.98 110.17 1u04 s PHE 671 Ca -0.07 0.19 -0.13 0.00 -0.05 0.00 0.00 56.93 56.88 1u04 s PHE 671 Cb -0.00 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1u04 s PHE 671 CO 0.06 -0.80 0.25 1.21 -0.05 0.00 0.00 175.22 175.89 1u04 s ASN 672 N -2.77 6.26 -0.04 1.98 3.84 -1.26 -0.80 114.94 122.15 1u04 s ASN 672 Ca 0.02 0.30 -0.02 0.00 0.21 0.00 0.00 52.86 53.36 1u04 s ASN 672 Cb -0.00 -2.16 0.03 0.00 -0.55 0.00 0.00 41.25 38.58 1u04 s ASN 672 CO -0.13 0.03 0.07 -0.22 -2.79 0.00 0.00 177.10 174.06 1u04 s LEU 673 N 1.04 0.21 -1.97 3.21 2.96 0.06 -4.85 118.68 119.33 1u04 s LEU 673 Ca 0.12 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1u04 s LEU 673 Cb -0.14 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.47 1u04 s LEU 673 CO 0.05 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 1u04 n GLY 674 N 5.19 0.91 0.83 7.98 0.00 -1.26 -1.73 105.19 117.11 1u04 n GLY 674 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1u04 n GLY 674 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u04 n GLY 675 N -0.64 0.77 3.62 -0.02 0.00 -1.26 -4.89 105.19 102.77 1u04 n GLY 675 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1u04 n GLY 675 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u04 s ALA 676 N -2.36 3.09 -0.17 4.61 0.00 -0.71 -4.78 121.76 121.45 1u04 s ALA 676 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 1u04 s ALA 676 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1u04 s ALA 676 CO 0.00 0.39 0.01 0.42 0.00 0.00 0.00 175.76 176.58 1u04 s ILE 677 N -1.95 4.28 -0.18 0.00 -1.09 0.09 -0.76 121.20 121.59 1u04 s ILE 677 Ca 0.28 -0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1u04 s ILE 677 Cb -0.08 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1u04 s ILE 677 CO 0.18 0.48 0.01 -0.31 -1.23 0.00 0.00 174.94 174.07 1u04 s TYR 678 N 0.35 3.12 -0.09 3.97 2.02 0.02 -0.31 117.35 126.42 1u04 s TYR 678 Ca -0.01 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1u04 s TYR 678 Cb -0.13 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 1u04 s TYR 678 CO 0.02 -0.02 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.67 1u04 s LEU 679 N 0.56 1.64 -0.46 -1.29 2.96 -0.30 -1.20 118.68 120.59 1u04 s LEU 679 Ca 0.00 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1u04 s LEU 679 Cb -0.14 -0.96 0.09 0.00 0.50 0.00 0.00 46.19 45.68 1u04 s LEU 679 CO 0.02 0.01 0.34 -0.63 -1.32 0.00 0.00 176.35 174.77 1u04 s ILE 680 N 0.91 4.67 0.40 6.68 1.09 -1.26 -0.36 121.20 133.33 1u04 s ILE 680 Ca -0.09 -1.34 0.08 0.00 -1.10 0.00 0.00 60.65 58.19 1u04 s ILE 680 Cb -0.15 -3.87 0.23 0.00 -1.06 0.00 0.00 42.46 37.61 1u04 s ILE 680 CO 0.00 -0.60 2.01 -0.65 -0.10 0.00 0.00 174.94 175.60 1u04 h PRO 681 N 8.58 0.43 -3.05 2.79 0.11 -1.97 -3.40 132.00 135.50 1u04 h PRO 681 Ca -0.25 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1u04 h PRO 681 Cb 1.09 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 1u04 h PRO 681 CO 0.84 0.36 0.18 -3.38 -0.21 0.00 0.00 178.00 175.80 1u04 s HIS 682 N -5.23 -0.43 0.33 0.65 -3.43 -1.26 -4.92 115.29 101.01 1u04 s HIS 682 Ca -0.07 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1u04 s HIS 682 Cb 0.17 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.84 1u04 s HIS 682 CO 0.73 -0.91 0.54 -1.59 -2.00 0.00 0.00 174.74 171.51 1u04 s LYS 683 N -3.79 3.50 -0.35 -0.38 -2.85 -1.26 -4.74 119.74 109.86 1u04 s LYS 683 Ca 0.03 -0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.40 1u04 s LYS 683 Cb -0.02 -2.67 0.01 0.00 -2.06 0.00 0.00 37.83 33.09 1u04 s LYS 683 CO -0.09 0.17 1.19 -0.51 0.10 0.00 0.00 175.35 176.21 1u04 s LEU 684 N -4.21 3.83 0.04 2.77 1.43 -1.26 -4.89 118.68 116.38 1u04 s LEU 684 Ca 0.40 0.97 0.17 0.00 -1.03 0.00 0.00 54.13 54.63 1u04 s LEU 684 Cb -0.10 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.43 1u04 s LEU 684 CO 0.35 -1.06 0.77 0.29 0.23 0.00 0.00 176.35 176.93 1u04 n LYS 685 N 7.30 0.62 0.05 1.70 5.02 -1.26 -4.80 118.16 126.79 1u04 n LYS 685 Ca 0.13 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1u04 n LYS 685 Cb 0.47 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1u04 n LYS 685 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1u04 n GLN 686 N -2.88 0.00 -1.00 1.97 7.27 -1.26 -5.10 117.38 116.38 1u04 n GLN 686 Ca -0.11 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.63 1u04 n GLN 686 Cb 0.87 -0.30 0.14 0.00 2.41 0.00 0.00 30.24 33.36 1u04 n GLN 686 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u04 s ALA 687 N -2.00 1.75 0.50 1.69 0.00 -1.26 -5.03 121.76 117.41 1u04 s ALA 687 Ca 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1u04 s ALA 687 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1u04 s ALA 687 CO 0.00 -2.40 0.86 0.21 0.00 0.00 0.00 175.76 174.42 1u04 s LYS 688 N -4.34 3.63 0.00 0.00 2.20 -1.26 -4.89 119.74 115.08 1u04 s LYS 688 Ca 0.70 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1u04 s LYS 688 Cb -0.26 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1u04 s LYS 688 CO 0.53 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 1u04 n GLY 689 N -2.15 0.83 3.35 5.54 0.00 -1.26 -4.83 105.19 106.67 1u04 n GLY 689 Ca 0.03 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 1u04 n GLY 689 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u04 s THR 690 N -0.94 2.76 0.34 2.61 2.01 -1.06 -4.23 115.64 117.14 1u04 s THR 690 Ca 0.00 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 60.94 1u04 s THR 690 Cb 0.00 -2.11 -0.12 0.00 0.01 0.00 0.00 72.50 70.28 1u04 s THR 690 CO 0.00 0.55 1.22 -2.65 -0.69 0.00 0.00 174.62 173.05 1u04 n PRO 691 N 3.23 1.93 -3.63 4.92 -0.02 -1.26 -4.96 135.00 135.20 1u04 n PRO 691 Ca -0.18 0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 1u04 n PRO 691 Cb 0.53 -2.23 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 1u04 n PRO 691 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u04 s ILE 692 N -1.10 4.54 0.65 4.25 1.01 -1.26 -4.71 121.20 124.57 1u04 s ILE 692 Ca 0.57 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1u04 s ILE 692 Cb -0.59 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1u04 s ILE 692 CO 0.61 -0.11 1.12 -2.84 0.00 0.00 0.00 174.94 173.73 1u04 s PRO 693 N 1.57 2.83 -0.14 2.79 0.02 -1.26 -4.87 135.00 135.95 1u04 s PRO 693 Ca 0.03 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 62.36 1u04 s PRO 693 Cb -0.18 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 1u04 s PRO 693 CO 0.06 -1.23 0.29 0.42 -0.33 0.00 0.00 177.00 176.21 1u04 s ILE 694 N -2.24 5.29 -0.24 2.83 1.01 0.52 -4.78 121.20 123.59 1u04 s ILE 694 Ca 0.68 0.55 -0.13 0.00 0.00 0.00 0.00 60.65 61.75 1u04 s ILE 694 Cb -0.21 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1u04 s ILE 694 CO 0.40 0.44 0.25 -0.75 0.00 0.00 0.00 174.94 175.28 1u04 s LYS 695 N 0.11 4.08 -0.13 2.79 2.20 0.15 -1.15 119.74 127.78 1u04 s LYS 695 Ca 0.17 -0.11 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 1u04 s LYS 695 Cb -0.13 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u04 s LYS 695 CO 0.05 -0.04 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.39 1u04 s LEU 696 N 1.33 2.88 0.24 5.43 1.43 0.57 0.07 118.68 130.64 1u04 s LEU 696 Ca 0.11 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1u04 s LEU 696 Cb -0.14 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1u04 s LEU 696 CO 0.07 0.17 0.74 0.00 0.23 0.00 0.00 176.35 177.56 1u04 s ALA 697 N 0.31 -1.33 -1.41 4.21 0.00 -0.82 -0.73 121.76 121.98 1u04 s ALA 697 Ca -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1u04 s ALA 697 Cb -0.15 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1u04 s ALA 697 CO 0.05 -1.00 0.40 1.63 0.00 0.00 0.00 175.76 176.83 1u04 n LYS 698 N -0.45 -3.17 -1.73 0.00 5.02 -1.26 -0.39 118.16 116.19 1u04 n LYS 698 Ca -0.06 0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 56.28 1u04 n LYS 698 Cb 0.60 -4.48 0.06 0.00 -0.02 0.00 0.00 35.03 31.19 1u04 n LYS 698 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u04 s LYS 699 N -6.59 2.66 0.12 1.97 2.20 -1.26 -4.35 119.74 114.48 1u04 s LYS 699 Ca 0.00 1.58 -0.25 0.00 -0.36 0.00 0.00 55.97 56.95 1u04 s LYS 699 Cb -0.00 -1.92 0.07 0.00 -1.51 0.00 0.00 37.83 34.47 1u04 s LYS 699 CO 0.89 -1.40 0.62 -0.98 -0.36 0.00 0.00 175.35 174.12 1u04 s ARG 700 N -3.86 1.24 -0.04 4.03 1.70 -0.32 -1.52 118.95 120.17 1u04 s ARG 700 Ca 0.71 -0.33 0.06 0.00 -0.47 0.00 0.00 55.73 55.70 1u04 s ARG 700 Cb -0.25 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 1u04 s ARG 700 CO 0.40 -0.52 -0.23 -1.50 -1.08 0.00 0.00 175.30 172.37 1u04 s ILE 701 N -3.27 2.24 -0.23 4.99 1.10 -0.84 -2.10 121.20 123.10 1u04 s ILE 701 Ca -0.01 -1.02 0.02 0.00 -0.51 0.00 0.00 60.65 59.13 1u04 s ILE 701 Cb -0.01 -1.81 0.05 0.00 0.15 0.00 0.00 42.46 40.84 1u04 s ILE 701 CO -0.09 0.58 -0.11 -0.63 -2.11 0.00 0.00 174.94 172.58 1u04 s ILE 702 N -0.41 1.90 -0.02 2.00 1.01 0.16 -1.26 121.20 124.58 1u04 s ILE 702 Ca 0.04 -1.31 0.06 0.00 0.00 0.00 0.00 60.65 59.44 1u04 s ILE 702 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1u04 s ILE 702 CO 0.01 0.08 -0.21 -0.54 0.00 0.00 0.00 174.94 174.29 1u04 s LYS 703 N 1.26 1.81 -1.75 2.79 1.02 -0.48 -0.54 119.74 123.84 1u04 s LYS 703 Ca -0.05 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.03 1u04 s LYS 703 Cb -0.18 -1.70 0.15 0.00 -0.52 0.00 0.00 37.83 35.59 1u04 s LYS 703 CO -0.07 0.42 0.45 0.09 -0.92 0.00 0.00 175.35 175.32 1u04 n ASN 704 N 2.68 -1.19 0.00 2.83 3.02 -1.26 0.72 115.26 122.05 1u04 n ASN 704 Ca -0.16 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1u04 n ASN 704 Cb 0.53 -1.81 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 1u04 n ASN 704 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u04 n GLY 705 N -1.56 0.55 3.53 7.41 0.00 -1.26 -4.69 105.19 109.18 1u04 n GLY 705 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1u04 n GLY 705 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u04 s LYS 706 N -0.36 3.00 -0.20 1.61 -0.14 0.22 -4.85 119.74 119.02 1u04 s LYS 706 Ca 0.00 -0.57 -0.11 0.00 -1.36 0.00 0.00 55.97 53.93 1u04 s LYS 706 Cb 0.00 -2.65 -0.05 0.00 -1.68 0.00 0.00 37.83 33.45 1u04 s LYS 706 CO 0.00 0.52 0.17 0.08 -0.76 0.00 0.00 175.35 175.37 1u04 s VAL 707 N -0.42 5.38 -0.29 3.17 1.01 -1.26 -1.39 120.40 126.59 1u04 s VAL 707 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1u04 s VAL 707 Cb -0.12 -3.51 0.09 0.00 0.00 0.00 0.00 36.38 32.83 1u04 s VAL 707 CO 0.02 0.41 0.05 -1.61 0.00 0.00 0.00 175.10 173.98 1u04 s GLU 708 N 0.49 1.05 0.05 2.72 2.02 -0.39 -4.99 118.70 119.65 1u04 s GLU 708 Ca 0.10 -1.19 -0.36 0.00 0.02 0.00 0.00 54.97 53.54 1u04 s GLU 708 Cb -0.12 -2.39 -0.15 0.00 0.10 0.00 0.00 34.13 31.58 1u04 s GLU 708 CO 0.00 -0.88 1.56 1.63 0.02 0.00 0.00 175.26 177.60 1u04 n LYS 709 N 4.69 1.71 -2.01 1.61 5.02 -1.26 -1.98 118.16 125.94 1u04 n LYS 709 Ca -0.03 0.62 -0.04 0.00 -2.02 0.00 0.00 58.31 56.84 1u04 n LYS 709 Cb 0.43 -2.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1u04 n LYS 709 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1u04 n GLN 710 N 3.83 1.53 -4.92 1.97 -0.06 -0.57 -4.90 117.38 114.25 1u04 n GLN 710 Ca 0.19 -0.50 -0.27 0.00 -2.00 0.00 0.00 57.00 54.42 1u04 n GLN 710 Cb 0.24 0.08 -0.15 0.00 -4.06 0.00 0.00 30.24 26.35 1u04 n GLN 710 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1u04 s SER 711 N -1.44 2.53 0.22 1.69 0.01 -1.26 -4.42 113.70 111.03 1u04 s SER 711 Ca 0.03 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1u04 s SER 711 Cb -0.00 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 65.89 1u04 s SER 711 CO 0.02 0.23 1.08 -0.63 0.41 0.00 0.00 173.24 174.36 1u04 s ILE 712 N -0.60 3.77 0.40 1.44 1.01 -1.26 -5.00 121.20 120.96 1u04 s ILE 712 Ca 0.08 1.62 0.07 0.00 0.00 0.00 0.00 60.65 62.43 1u04 s ILE 712 Cb -0.08 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 1u04 s ILE 712 CO 0.00 0.32 0.09 0.42 0.00 0.00 0.00 174.94 175.78 1u04 s THR 713 N -0.62 2.21 0.35 2.92 -4.23 -1.26 -5.01 115.64 110.00 1u04 s THR 713 Ca 0.47 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1u04 s THR 713 Cb -0.30 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.79 1u04 s THR 713 CO 0.37 -0.02 1.96 0.03 -0.54 0.00 0.00 174.62 176.42 1u04 h ARG 714 N 1.61 0.72 -0.74 3.99 3.08 -1.99 -1.35 114.38 119.69 1u04 h ARG 714 Ca -0.43 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 1u04 h ARG 714 Cb 1.25 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1u04 h ARG 714 CO 0.74 0.55 0.35 1.96 -1.07 0.00 0.00 179.97 182.50 1u04 h GLN 715 N 0.73 1.08 -0.75 0.04 1.08 -1.99 -0.49 115.11 114.81 1u04 h GLN 715 Ca 0.18 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1u04 h GLN 715 Cb 0.06 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.26 1u04 h GLN 715 CO -0.03 0.85 0.44 -0.44 -0.95 0.00 0.00 178.83 178.71 1u04 h ASP 716 N 1.05 0.90 -0.21 1.46 3.32 -1.67 -0.09 116.42 121.18 1u04 h ASP 716 Ca 0.25 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1u04 h ASP 716 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1u04 h ASP 716 CO -0.03 0.71 -0.10 0.58 -1.72 0.00 0.00 179.24 178.67 1u04 h VAL 717 N 1.02 1.24 -0.40 -1.35 2.07 -0.90 -1.43 116.25 116.50 1u04 h VAL 717 Ca 0.27 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1u04 h VAL 717 Cb -0.02 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1u04 h VAL 717 CO -0.05 0.35 0.02 0.25 0.02 0.00 0.00 177.57 178.16 1u04 h LEU 718 N 0.54 0.68 0.54 2.57 6.46 -0.28 0.07 115.31 125.89 1u04 h LEU 718 Ca 0.10 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 1u04 h LEU 718 Cb 0.50 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1u04 h LEU 718 CO 0.03 0.81 -0.29 0.44 -0.62 0.00 0.00 178.44 178.81 1u04 h ASP 719 N 0.53 -0.69 -0.65 1.25 3.32 -0.59 0.25 116.42 119.83 1u04 h ASP 719 Ca 0.12 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.31 1u04 h ASP 719 Cb 0.44 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 40.10 1u04 h ASP 719 CO 0.02 -0.47 0.22 0.40 -1.72 0.00 0.00 179.24 177.68 1u04 h ILE 720 N -0.77 0.69 -0.24 0.35 1.08 -1.23 0.49 117.51 117.88 1u04 h ILE 720 Ca -0.07 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 1u04 h ILE 720 Cb 0.60 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 1u04 h ILE 720 CO 0.10 0.07 -0.09 0.15 -0.69 0.00 0.00 178.15 177.69 1u04 h PHE 721 N 0.37 -0.21 -0.01 1.37 3.57 -0.58 -0.07 116.94 121.38 1u04 h PHE 721 Ca 0.34 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1u04 h PHE 721 Cb 0.48 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 1u04 h PHE 721 CO -0.19 -0.14 0.01 0.82 -2.23 0.00 0.00 178.31 176.57 1u04 h ILE 722 N -0.05 1.06 -0.36 1.41 1.08 0.30 -2.12 117.51 118.84 1u04 h ILE 722 Ca 0.12 -0.18 0.10 0.00 -0.39 0.00 0.00 64.86 64.52 1u04 h ILE 722 Cb 0.23 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1u04 h ILE 722 CO -0.27 0.05 0.32 -0.07 -0.69 0.00 0.00 178.15 177.49 1u04 h LEU 723 N -0.06 0.00 -0.14 1.44 3.38 -0.52 0.22 115.31 119.63 1u04 h LEU 723 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1u04 h LEU 723 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1u04 h LEU 723 CO -0.00 0.00 -0.28 0.74 0.09 0.00 0.00 178.44 178.99 1u04 h THR 724 N 0.00 0.50 -0.01 0.22 2.02 -0.35 0.21 112.91 115.49 1u04 h THR 724 Ca 0.17 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1u04 h THR 724 Cb 0.81 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1u04 h THR 724 CO -0.00 0.28 0.00 0.54 0.37 0.00 0.00 175.52 176.71 1u04 n ARG 725 N -3.19 1.32 -2.90 6.66 5.12 0.78 -4.50 116.66 119.95 1u04 n ARG 725 Ca 0.03 -0.47 -0.44 0.00 -1.93 0.00 0.00 57.85 55.04 1u04 n ARG 725 Cb 0.62 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1u04 n ARG 725 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1u04 n LEU 726 N -0.42 5.64 -0.86 0.55 4.77 -1.20 -4.72 117.00 120.75 1u04 n LEU 726 Ca 0.21 -4.65 0.11 0.00 -0.03 0.00 0.00 56.01 51.65 1u04 n LEU 726 Cb 0.22 -1.54 0.08 0.00 -2.33 0.00 0.00 43.42 39.85 1u04 n LEU 726 CO 0.17 1.03 0.57 -0.46 -1.33 0.00 0.00 177.39 177.37 1u04 n ASN 727 N 4.47 2.78 -3.91 -1.43 6.94 -1.26 -4.64 115.26 118.21 1u04 n ASN 727 Ca 0.34 -1.89 -0.28 0.00 -0.02 0.00 0.00 54.58 52.74 1u04 n ASN 727 Cb 0.40 0.06 -0.01 0.00 -2.36 0.00 0.00 39.78 37.87 1u04 n ASN 727 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1u04 n TYR 728 N 1.12 -1.68 -0.22 -2.53 4.01 -1.26 -2.16 117.16 114.43 1u04 n TYR 728 Ca 0.13 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.52 1u04 n TYR 728 Cb 0.55 -3.62 0.00 0.00 -0.31 0.00 0.00 39.34 35.97 1u04 n TYR 728 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u04 n GLY 729 N -1.95 2.42 3.54 2.72 0.00 -1.26 -3.61 105.19 107.06 1u04 n GLY 729 Ca -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1u04 n GLY 729 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u04 n SER 730 N 0.00 1.45 -4.60 1.61 2.88 -0.92 -4.69 113.62 109.36 1u04 n SER 730 Ca 0.00 -0.90 -0.39 0.00 -1.33 0.00 0.00 58.87 56.25 1u04 n SER 730 Cb 0.00 -1.44 0.03 0.00 -0.75 0.00 0.00 64.21 62.06 1u04 n SER 730 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1u04 n ILE 731 N 8.03 3.01 -2.46 2.46 5.41 -1.26 -3.61 119.36 130.94 1u04 n ILE 731 Ca 0.48 -0.50 -0.00 0.00 1.00 0.00 0.00 62.75 63.73 1u04 n ILE 731 Cb 0.40 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 1u04 n ILE 731 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1u04 n SER 732 N -0.11 -5.55 -4.54 4.38 7.64 -1.26 -4.82 113.62 109.36 1u04 n SER 732 Ca 0.12 -0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.55 1u04 n SER 732 Cb 0.44 -3.65 -0.06 0.00 -1.01 0.00 0.00 64.21 59.93 1u04 n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u04 n ALA 733 N -1.51 0.78 -4.05 -0.43 0.00 -1.24 -5.16 120.51 108.91 1u04 n ALA 733 Ca -0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 53.44 52.41 1u04 n ALA 733 Cb 0.50 -2.98 -0.16 0.00 0.00 0.00 0.00 19.45 16.82 1u04 n ALA 733 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u04 s ASP 734 N 11.07 3.80 0.00 0.00 1.01 -1.26 -5.06 116.67 126.22 1u04 s ASP 734 Ca 1.06 -1.06 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1u04 s ASP 734 Cb -0.43 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.08 1u04 s ASP 734 CO 0.32 -0.14 0.00 -1.14 0.21 0.00 0.00 175.17 174.43 1u04 n ARG 736 N 4.56 0.00 -4.37 8.23 0.63 -1.26 -5.18 116.66 119.27 1u04 n ARG 736 Ca -0.16 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.53 1u04 n ARG 736 Cb 0.45 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.25 1u04 n ARG 736 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1u04 s LEU 737 N 0.00 2.44 0.27 6.15 1.43 -1.26 -4.85 118.68 122.86 1u04 s LEU 737 Ca 0.00 -0.87 -0.31 0.00 -1.03 0.00 0.00 54.13 51.93 1u04 s LEU 737 Cb 0.00 -0.98 -0.12 0.00 0.03 0.00 0.00 46.19 45.11 1u04 s LEU 737 CO 0.00 0.04 1.51 -2.65 0.23 0.00 0.00 176.35 175.47 1u04 n PRO 738 N 0.27 2.38 -0.31 1.29 -0.02 -1.26 -4.63 135.00 132.72 1u04 n PRO 738 Ca -0.13 0.85 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1u04 n PRO 738 Cb 0.57 -2.57 0.21 0.00 -0.02 0.00 0.00 33.50 31.68 1u04 n PRO 738 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u04 h ALA 739 N 4.52 0.91 -0.61 3.55 0.00 -0.84 -0.03 119.26 126.76 1u04 h ALA 739 Ca -0.46 0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1u04 h ALA 739 Cb 1.25 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1u04 h ALA 739 CO 0.78 -0.48 0.25 -1.35 0.00 0.00 0.00 179.25 178.45 1u04 h PRO 740 N 0.04 0.44 -0.26 0.00 0.11 -1.89 -0.15 132.00 130.29 1u04 h PRO 740 Ca 0.50 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.49 1u04 h PRO 740 Cb 0.93 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1u04 h PRO 740 CO -0.85 0.29 -0.21 0.28 -0.21 0.00 0.00 178.00 177.30 1u04 h VAL 741 N 0.46 1.31 -0.10 3.15 2.07 -1.39 -2.09 116.25 119.66 1u04 h VAL 741 Ca 0.30 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.50 1u04 h VAL 741 Cb 0.34 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1u04 h VAL 741 CO -0.28 0.43 -0.13 -0.74 0.02 0.00 0.00 177.57 176.87 1u04 h HIS 742 N 0.33 -0.32 -0.02 1.57 6.17 -0.49 -1.77 115.15 120.62 1u04 h HIS 742 Ca 0.05 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.04 1u04 h HIS 742 Cb 0.76 0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.83 1u04 h HIS 742 CO 0.07 -0.19 -0.47 1.88 0.71 0.00 0.00 177.93 179.93 1u04 h TYR 743 N -0.16 0.06 -0.61 5.26 0.05 -1.08 -1.77 116.97 118.73 1u04 h TYR 743 Ca 0.08 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1u04 h TYR 743 Cb 0.28 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1u04 h TYR 743 CO -0.23 0.52 0.38 0.00 -1.05 0.00 0.00 178.16 177.77 1u04 h ALA 744 N 1.48 0.77 -0.64 3.88 0.00 -0.89 -0.06 119.26 123.80 1u04 h ALA 744 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1u04 h ALA 744 Cb 0.85 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1u04 h ALA 744 CO 0.06 0.23 0.14 1.25 0.00 0.00 0.00 179.25 180.93 1u04 h HIS 745 N 0.82 1.10 -0.71 0.00 -0.00 -1.00 -0.56 115.15 114.81 1u04 h HIS 745 Ca 0.22 -0.14 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1u04 h HIS 745 Cb -0.05 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.03 1u04 h HIS 745 CO -0.02 0.92 0.25 0.87 -0.00 0.00 0.00 177.93 179.95 1u04 h LYS 746 N 0.97 1.08 -0.22 5.26 1.79 -0.86 -1.06 116.57 123.53 1u04 h LYS 746 Ca 0.20 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1u04 h LYS 746 Cb 0.39 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1u04 h LYS 746 CO 0.01 0.91 -0.06 0.35 -1.08 0.00 0.00 179.45 179.57 1u04 h PHE 747 N 1.03 0.48 -0.98 -1.35 3.57 -0.69 -1.33 116.94 117.67 1u04 h PHE 747 Ca 0.23 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1u04 h PHE 747 Cb 0.26 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 1u04 h PHE 747 CO 0.02 0.68 0.63 0.00 -2.23 0.00 0.00 178.31 177.40 1u04 h ALA 748 N 0.74 1.52 -0.39 2.41 0.00 -0.98 -0.54 119.26 122.02 1u04 h ALA 748 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u04 h ALA 748 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1u04 h ALA 748 CO 0.02 0.28 0.11 -0.91 0.00 0.00 0.00 179.25 178.75 1u04 h ASN 749 N 1.02 0.57 -0.60 0.00 2.35 -0.86 -2.03 115.58 116.04 1u04 h ASN 749 Ca 0.46 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1u04 h ASN 749 Cb 0.39 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1u04 h ASN 749 CO -0.22 0.64 0.18 0.00 -1.65 0.00 0.00 177.43 176.37 1u04 h ALA 750 N 0.96 1.12 -0.57 -0.83 0.00 -0.24 -0.21 119.26 119.48 1u04 h ALA 750 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1u04 h ALA 750 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1u04 h ALA 750 CO -0.00 0.60 0.20 0.82 0.00 0.00 0.00 179.25 180.87 1u04 h ILE 751 N 0.94 1.23 0.00 0.00 2.04 -1.02 -0.03 117.51 120.68 1u04 h ILE 751 Ca 0.21 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1u04 h ILE 751 Cb 0.30 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1u04 h ILE 751 CO -0.00 0.29 0.00 0.03 0.00 0.00 0.00 178.15 178.47 1u04 h ARG 752 N 0.80 0.00 -0.71 2.37 3.08 -0.89 -2.74 114.38 116.30 1u04 h ARG 752 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1u04 h ARG 752 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1u04 h ARG 752 CO -0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.98 1u04 n ASN 753 N -2.83 4.40 0.00 7.04 3.02 -0.13 -4.96 115.26 121.79 1u04 n ASN 753 Ca 0.01 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1u04 n ASN 753 Cb 0.27 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1u04 n ASN 753 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1u04 n GLU 754 N 1.43 0.00 -2.51 3.52 -0.58 -0.91 -5.02 120.64 116.57 1u04 n GLU 754 Ca 0.26 0.36 -0.39 0.00 -0.42 0.00 0.00 57.16 56.97 1u04 n GLU 754 Cb 0.76 -3.81 -0.04 0.00 -0.57 0.00 0.00 31.44 27.78 1u04 n GLU 754 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1u04 s TRP 755 N -2.00 3.48 0.53 -0.32 0.52 -0.13 -4.99 118.94 116.03 1u04 s TRP 755 Ca 0.00 1.69 -0.22 0.00 0.02 0.00 0.00 56.10 57.59 1u04 s TRP 755 Cb 0.00 -3.22 -0.05 0.00 -1.15 0.00 0.00 33.47 29.05 1u04 s TRP 755 CO 0.00 -0.55 1.28 0.21 0.02 0.00 0.00 176.95 177.92 1u04 s LYS 756 N -1.81 3.28 -0.85 4.98 2.20 -1.26 -4.73 119.74 121.55 1u04 s LYS 756 Ca 0.49 2.05 -0.07 0.00 -0.36 0.00 0.00 55.97 58.08 1u04 s LYS 756 Cb -0.28 -2.25 0.22 0.00 -1.51 0.00 0.00 37.83 34.00 1u04 s LYS 756 CO 0.36 -1.02 0.75 0.42 -0.36 0.00 0.00 175.35 175.51 1u04 s ILE 757 N -1.41 4.86 -1.11 5.43 1.01 -1.26 -5.00 121.20 123.72 1u04 s ILE 757 Ca 0.70 -3.17 -0.20 0.00 0.00 0.00 0.00 60.65 57.98 1u04 s ILE 757 Cb -0.36 -4.02 0.08 0.00 0.01 0.00 0.00 42.46 38.17 1u04 s ILE 757 CO 0.42 -1.04 1.49 -0.54 0.00 0.00 0.00 174.94 175.28 1u04 s LYS 758 N -0.59 3.76 0.55 2.79 -0.14 -1.26 -4.83 119.74 120.02 1u04 s LYS 758 Ca 0.23 -1.60 0.29 0.00 -1.36 0.00 0.00 55.97 53.52 1u04 s LYS 758 Cb -0.12 -5.33 1.46 0.00 -1.68 0.00 0.00 37.83 32.16 1u04 s LYS 758 CO -0.08 -2.13 1.94 0.93 -0.76 0.00 0.00 175.35 175.24 1u04 h GLU 759 N 8.76 0.00 -0.41 1.68 5.08 -1.96 0.13 114.58 127.86 1u04 h GLU 759 Ca 0.28 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1u04 h GLU 759 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1u04 h GLU 759 CO 1.38 0.00 0.27 1.49 -1.00 0.00 0.00 179.01 181.15 1u04 h GLU 760 N 0.00 0.53 -0.04 2.33 4.81 -2.00 0.01 114.58 120.23 1u04 h GLU 760 Ca 0.28 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1u04 h GLU 760 Cb 1.25 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.53 1u04 h GLU 760 CO -0.00 0.35 -0.71 0.74 -0.73 0.00 0.00 179.01 178.66 1u04 h PHE 761 N 0.55 0.79 0.00 0.92 -1.00 -1.21 -3.26 116.94 113.73 1u04 h PHE 761 Ca 0.15 -0.40 -0.01 0.00 2.81 0.00 0.00 57.97 60.52 1u04 h PHE 761 Cb -0.06 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.40 1u04 h PHE 761 CO -0.05 1.22 -0.04 -0.07 -1.61 0.00 0.00 178.31 177.75 1u04 h LEU 762 N 0.14 0.00 -0.07 1.54 3.38 -1.00 -1.65 115.31 117.64 1u04 h LEU 762 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1u04 h LEU 762 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1u04 h LEU 762 CO 0.14 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1u04 n ALA 763 N -2.36 2.10 -0.23 1.53 0.00 -0.03 -1.93 120.51 119.59 1u04 n ALA 763 Ca -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.41 1u04 n ALA 763 Cb 0.13 -1.41 0.13 0.00 0.00 0.00 0.00 19.45 18.30 1u04 n ALA 763 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u04 n GLU 764 N -1.73 2.86 -1.76 0.00 -0.58 -0.67 -4.64 120.64 114.13 1u04 n GLU 764 Ca 0.05 -2.01 -0.07 0.00 -0.42 0.00 0.00 57.16 54.72 1u04 n GLU 764 Cb 0.31 -1.26 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 1u04 n GLU 764 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u04 n GLY 765 N 0.13 0.41 3.64 0.62 0.00 -1.07 -4.63 105.19 104.29 1u04 n GLY 765 Ca 0.10 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1u04 n GLY 765 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u04 s PHE 766 N -2.31 2.03 -1.34 1.61 0.40 -0.92 -4.24 117.98 113.22 1u04 s PHE 766 Ca 0.00 0.46 -0.06 0.00 -0.60 0.00 0.00 56.93 56.73 1u04 s PHE 766 Cb 0.00 -3.96 0.11 0.00 0.51 0.00 0.00 43.02 39.68 1u04 s PHE 766 CO 0.00 -3.20 2.39 1.28 0.70 0.00 0.00 175.22 176.38 1u04 n LEU 767 N 8.29 8.03 0.23 -0.37 4.77 -0.88 -4.65 117.00 132.42 1u04 n LEU 767 Ca 0.19 -4.86 0.11 0.00 -0.03 0.00 0.00 56.01 51.42 1u04 n LEU 767 Cb 0.45 -1.38 0.45 0.00 -2.33 0.00 0.00 43.42 40.61 1u04 n LEU 767 CO 0.64 2.03 0.81 0.10 -1.33 0.00 0.00 177.39 179.65 1u04 h TYR 768 N 4.67 0.00 -0.01 -1.77 -0.00 -1.85 -2.96 116.97 115.05 1u04 h TYR 768 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.43 1u04 h TYR 768 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.05 1u04 h TYR 768 CO 1.60 0.19 -0.22 1.97 -0.00 0.00 0.00 178.16 181.70 1u04 n PHE 769 N -3.31 0.00 1.19 0.10 1.16 -1.26 -4.83 117.46 110.51 1u04 n PHE 769 Ca 0.01 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.71 1u04 n PHE 769 Cb 0.43 -0.09 0.26 0.00 -1.61 0.00 0.00 39.48 38.47 1u04 n PHE 769 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17