#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwk s ILE 28 N 0.00 4.69 -1.39 5.18 1.01 -1.26 -5.00 121.20 124.43 3hwk s ILE 28 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 3hwk s ILE 28 Cb 0.00 -3.56 0.09 0.00 0.01 0.00 0.00 42.46 39.00 3hwk s ILE 28 CO 0.00 -0.17 2.16 0.29 0.00 0.00 0.00 174.94 177.22 3hwk n LYS 29 N 5.02 3.41 -1.63 2.79 4.76 -1.26 -4.98 118.16 126.27 3hwk n LYS 29 Ca -0.12 -3.03 -0.53 0.00 -2.87 0.00 0.00 58.31 51.76 3hwk n LYS 29 Cb 0.47 -3.03 -0.06 0.00 -1.84 0.00 0.00 35.03 30.57 3hwk n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hwk n LYS 30 N 4.53 1.25 -0.88 1.97 4.76 -1.26 -1.50 118.16 127.03 3hwk n LYS 30 Ca 0.50 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 3hwk n LYS 30 Cb 0.35 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 3hwk n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hwk n GLY 31 N 3.10 0.33 2.40 0.72 0.00 -1.26 -2.21 105.19 108.26 3hwk n GLY 31 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 3hwk n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hwk n LEU 32 N 0.00 -1.55 -4.67 0.99 4.77 -0.56 -4.92 117.00 111.06 3hwk n LEU 32 Ca 0.00 0.18 -0.52 0.00 -0.03 0.00 0.00 56.01 55.64 3hwk n LEU 32 Cb 0.15 -2.61 -0.06 0.00 -2.33 0.00 0.00 43.42 38.57 3hwk n LEU 32 CO 0.00 -0.41 1.48 0.00 -1.33 0.00 0.00 177.39 177.13 3hwk n ALA 33 N -1.15 0.55 -0.95 -1.18 0.00 -0.94 -1.52 120.51 115.32 3hwk n ALA 33 Ca -0.20 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3hwk n ALA 33 Cb 0.64 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3hwk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwk n GLY 34 N 4.60 0.63 3.69 0.00 0.00 -1.26 -4.94 105.19 107.91 3hwk n GLY 34 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 3hwk n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwk s VAL 35 N -2.69 5.15 -0.34 1.61 1.01 -0.57 -5.03 120.40 119.54 3hwk s VAL 35 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 3hwk s VAL 35 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3hwk s VAL 35 CO 0.00 0.25 0.51 -0.69 0.00 0.00 0.00 175.10 175.16 3hwk s VAL 36 N 1.18 5.03 -0.06 2.92 1.01 -1.26 -4.94 120.40 124.27 3hwk s VAL 36 Ca 0.24 0.41 0.10 0.00 0.00 0.00 0.00 61.98 62.74 3hwk s VAL 36 Cb -0.15 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 3hwk s VAL 36 CO 0.10 -0.17 0.14 0.55 0.00 0.00 0.00 175.10 175.72 3hwk n VAL 37 N 5.38 0.39 -3.85 2.92 3.14 -1.26 -5.04 118.33 120.01 3hwk n VAL 37 Ca -0.05 -0.36 -0.04 0.00 -2.96 0.00 0.00 64.34 60.93 3hwk n VAL 37 Cb 0.49 -0.27 0.01 0.00 -1.06 0.00 0.00 33.84 33.01 3hwk n VAL 37 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hwk s ASP 38 N -3.84 -0.02 0.00 6.55 -1.08 -1.26 -5.16 116.67 111.86 3hwk s ASP 38 Ca -0.05 -0.73 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 3hwk s ASP 38 Cb 0.05 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3hwk s ASP 38 CO 0.45 -1.12 -0.02 0.28 0.52 0.00 0.00 175.17 175.28 3hwk s THR 39 N -2.38 4.02 0.07 1.71 -1.32 -1.26 -5.13 115.64 111.35 3hwk s THR 39 Ca 0.19 -0.67 0.02 0.00 -1.21 0.00 0.00 61.69 60.02 3hwk s THR 39 Cb -0.03 -2.79 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 3hwk s THR 39 CO 0.06 0.37 -0.07 0.28 -2.21 0.00 0.00 174.62 173.05 3hwk s THR 40 N -1.07 0.61 -0.69 5.08 -1.32 -1.26 -5.04 115.64 111.95 3hwk s THR 40 Ca 0.19 -1.59 0.06 0.00 -1.21 0.00 0.00 61.69 59.14 3hwk s THR 40 Cb -0.11 -1.25 0.09 0.00 -1.51 0.00 0.00 72.50 69.71 3hwk s THR 40 CO 0.10 -0.69 0.83 0.00 -2.21 0.00 0.00 174.62 172.66 3hwk n ALA 41 N 0.55 2.37 -0.04 11.08 0.00 -1.26 -4.80 120.51 128.41 3hwk n ALA 41 Ca -0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.40 3hwk n ALA 41 Cb 0.58 -0.22 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 3hwk n ALA 41 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hwk h ILE 42 N 1.17 1.66 -3.49 0.00 2.04 -1.96 -3.42 117.51 113.52 3hwk h ILE 42 Ca 0.00 -2.39 -0.07 0.00 1.00 0.00 0.00 64.86 63.40 3hwk h ILE 42 Cb 0.37 3.27 -0.14 0.00 -0.74 0.00 0.00 36.82 39.58 3hwk h ILE 42 CO 0.00 0.63 -0.18 -0.94 0.00 0.00 0.00 178.15 177.66 3hwk s SER 43 N -6.48 -0.12 -0.20 1.72 1.04 -1.26 -1.29 113.70 107.12 3hwk s SER 43 Ca -0.18 -0.39 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 3hwk s SER 43 Cb -0.01 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.58 3hwk s SER 43 CO 0.73 -0.78 0.52 -0.54 0.98 0.00 0.00 173.24 174.14 3hwk s LYS 44 N -3.64 0.61 -0.47 4.02 1.02 -0.98 -4.90 119.74 115.40 3hwk s LYS 44 Ca 0.02 0.73 -0.20 0.00 0.02 0.00 0.00 55.97 56.54 3hwk s LYS 44 Cb 0.02 0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 3hwk s LYS 44 CO -0.10 -0.07 0.63 0.08 -0.92 0.00 0.00 175.35 174.96 3hwk s VAL 45 N 0.30 4.84 -0.36 3.17 1.01 -1.26 -0.95 120.40 127.15 3hwk s VAL 45 Ca -0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3hwk s VAL 45 Cb -0.04 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3hwk s VAL 45 CO 0.00 -0.68 1.75 0.68 0.00 0.00 0.00 175.10 176.85 3hwk s VAL 46 N 2.75 3.52 0.21 2.92 -7.23 0.94 -4.89 120.40 118.63 3hwk s VAL 46 Ca 0.19 0.52 -0.09 0.00 -1.81 0.00 0.00 61.98 60.79 3hwk s VAL 46 Cb -0.16 -3.74 0.15 0.00 0.56 0.00 0.00 36.38 33.20 3hwk s VAL 46 CO 0.16 -0.49 1.72 1.55 -0.31 0.00 0.00 175.10 177.73 3hwk h PRO 47 N 12.72 0.33 -0.10 4.82 0.13 -1.95 -0.02 132.00 147.92 3hwk h PRO 47 Ca -0.32 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3hwk h PRO 47 Cb 1.16 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3hwk h PRO 47 CO 1.05 0.22 -0.11 1.96 -0.23 0.00 0.00 178.00 180.88 3hwk h GLN 48 N 0.34 -0.06 -0.49 0.86 7.50 -1.98 -3.19 115.11 118.09 3hwk h GLN 48 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.47 3hwk h GLN 48 Cb 0.43 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.98 3hwk h GLN 48 CO -0.35 -0.04 0.00 -2.37 -1.50 0.00 0.00 178.83 174.56 3hwk n THR 49 N -3.28 0.64 -4.06 -0.54 5.66 -1.12 -4.95 114.28 106.64 3hwk n THR 49 Ca -0.01 -0.80 -0.32 0.00 -3.05 0.00 0.00 64.05 59.88 3hwk n THR 49 Cb 0.07 0.78 -0.01 0.00 -1.55 0.00 0.00 70.33 69.62 3hwk n THR 49 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3hwk n ASN 50 N 1.47 -3.05 -4.60 1.09 5.15 -0.04 -4.98 115.26 110.30 3hwk n ASN 50 Ca 0.21 -0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 52.91 3hwk n ASN 50 Cb 0.59 -3.21 -0.11 0.00 -0.53 0.00 0.00 39.78 36.52 3hwk n ASN 50 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3hwk s SER 51 N -3.57 4.86 -0.15 1.20 0.01 -1.18 -4.50 113.70 110.38 3hwk s SER 51 Ca 0.54 0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.55 3hwk s SER 51 Cb -0.28 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 3hwk s SER 51 CO 0.89 0.34 0.84 -0.22 0.41 0.00 0.00 173.24 175.49 3hwk s LEU 52 N -0.64 4.20 -0.11 2.44 2.96 -1.26 -0.04 118.68 126.23 3hwk s LEU 52 Ca 0.10 1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3hwk s LEU 52 Cb -0.12 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 3hwk s LEU 52 CO 0.02 -0.37 -0.08 0.42 -1.32 0.00 0.00 176.35 175.01 3hwk s THR 53 N 1.98 3.52 -0.31 3.68 -4.23 -0.13 -0.01 115.64 120.15 3hwk s THR 53 Ca 0.39 -0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 60.24 3hwk s THR 53 Cb -0.17 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 3hwk s THR 53 CO 0.14 0.54 0.34 -0.31 -0.54 0.00 0.00 174.62 174.80 3hwk s TYR 54 N -0.12 3.22 -1.53 3.99 2.02 0.39 -2.32 117.35 123.01 3hwk s TYR 54 Ca 0.01 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 3hwk s TYR 54 Cb -0.13 -2.60 0.06 0.00 -0.40 0.00 0.00 41.96 38.89 3hwk s TYR 54 CO 0.03 -0.33 0.53 0.54 -1.57 0.00 0.00 175.55 174.75 3hwk n ARG 55 N 5.33 -3.12 0.00 -0.62 5.12 -0.41 -1.51 116.66 121.45 3hwk n ARG 55 Ca -0.09 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 3hwk n ARG 55 Cb 0.50 -4.68 0.00 0.00 -1.16 0.00 0.00 32.46 27.12 3hwk n ARG 55 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwk n GLY 56 N -1.81 2.68 3.75 -0.13 0.00 -1.26 -4.97 105.19 103.44 3hwk n GLY 56 Ca -0.17 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3hwk n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwk s TYR 57 N -1.54 3.71 0.20 1.61 2.02 -0.57 -4.87 117.35 117.92 3hwk s TYR 57 Ca 0.00 1.38 -0.31 0.00 -0.37 0.00 0.00 57.07 57.77 3hwk s TYR 57 Cb 0.00 -2.76 -0.10 0.00 -0.40 0.00 0.00 41.96 38.70 3hwk s TYR 57 CO 0.00 0.29 1.54 -2.14 -1.57 0.00 0.00 175.55 173.67 3hwk s PRO 58 N -0.06 4.22 0.40 -1.71 0.02 -1.26 -0.46 135.00 136.16 3hwk s PRO 58 Ca 0.36 2.37 0.08 0.00 0.02 0.00 0.00 61.00 63.83 3hwk s PRO 58 Cb -0.20 -3.13 0.86 0.00 0.02 0.00 0.00 34.50 32.05 3hwk s PRO 58 CO 0.21 -0.57 2.04 -0.24 -0.33 0.00 0.00 177.00 178.11 3hwk h VAL 59 N 3.83 1.07 0.00 3.83 3.04 -0.80 -0.90 116.25 126.33 3hwk h VAL 59 Ca -0.44 -0.20 -0.11 0.00 -1.01 0.00 0.00 66.70 64.95 3hwk h VAL 59 Cb 1.21 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 3hwk h VAL 59 CO 0.87 0.11 -0.51 0.06 -1.01 0.00 0.00 177.57 177.09 3hwk h GLN 60 N 0.58 0.00 -0.15 4.17 -0.00 -1.90 0.45 115.11 118.26 3hwk h GLN 60 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.72 3hwk h GLN 60 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 3hwk h GLN 60 CO -0.05 0.51 -0.37 -0.44 -0.00 0.00 0.00 178.83 178.48 3hwk h ASP 61 N 0.00 0.58 -0.48 0.06 3.32 -1.62 -2.41 116.42 115.88 3hwk h ASP 61 Ca -0.01 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 3hwk h ASP 61 Cb 0.90 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3hwk h ASP 61 CO 0.07 1.05 0.27 -0.07 -1.72 0.00 0.00 179.24 178.84 3hwk h LEU 62 N 0.14 0.59 -1.52 1.55 3.38 -0.81 -2.15 115.31 116.50 3hwk h LEU 62 Ca -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3hwk h LEU 62 Cb 0.98 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hwk h LEU 62 CO 0.08 0.50 -0.10 0.00 0.09 0.00 0.00 178.44 179.01 3hwk h ALA 63 N 1.11 1.61 0.07 1.53 0.00 -0.13 -0.92 119.26 122.53 3hwk h ALA 63 Ca 0.17 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 3hwk h ALA 63 Cb 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hwk h ALA 63 CO -0.03 0.29 -1.12 0.00 0.00 0.00 0.00 179.25 178.39 3hwk h ALA 64 N 1.72 0.16 0.00 0.00 0.00 -1.02 -3.40 119.26 116.72 3hwk h ALA 64 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hwk h ALA 64 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hwk h ALA 64 CO 0.02 0.80 0.00 0.54 0.00 0.00 0.00 179.25 180.61 3hwk n ARG 65 N -3.72 6.45 -4.32 0.00 1.74 -0.85 -5.07 116.66 110.90 3hwk n ARG 65 Ca -0.10 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.73 3hwk n ARG 65 Cb 0.93 -0.48 -0.08 0.00 -1.02 0.00 0.00 32.46 31.81 3hwk n ARG 65 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hwk s SER 67 N -3.51 6.10 0.24 0.00 1.04 -1.26 -4.82 113.70 111.49 3hwk s SER 67 Ca 0.30 0.90 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 3hwk s SER 67 Cb -0.07 -2.12 0.30 0.00 0.10 0.00 0.00 66.02 64.23 3hwk s SER 67 CO 0.18 -0.72 1.88 0.15 0.98 0.00 0.00 173.24 175.72 3hwk h PHE 68 N 0.09 1.09 -0.68 5.02 3.57 -1.96 -2.03 116.94 122.04 3hwk h PHE 68 Ca -0.46 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.21 3hwk h PHE 68 Cb 1.22 -0.36 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 3hwk h PHE 68 CO 0.56 0.61 0.10 0.93 -2.23 0.00 0.00 178.31 178.28 3hwk h GLU 69 N 1.11 0.20 -0.37 1.11 3.07 -1.99 0.19 114.58 117.91 3hwk h GLU 69 Ca 0.37 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.08 3hwk h GLU 69 Cb 0.05 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3hwk h GLU 69 CO -0.13 0.13 -0.32 1.96 -1.40 0.00 0.00 179.01 179.25 3hwk h GLN 70 N 0.20 0.81 -0.24 2.33 4.20 -1.78 -1.69 115.11 118.95 3hwk h GLN 70 Ca 0.37 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3hwk h GLN 70 Cb 0.62 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3hwk h GLN 70 CO -0.52 1.01 -0.03 0.28 -0.67 0.00 0.00 178.83 178.91 3hwk h VAL 71 N 0.68 1.27 -0.34 -0.54 2.07 -0.75 -0.20 116.25 118.45 3hwk h VAL 71 Ca 0.07 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.66 3hwk h VAL 71 Cb 0.86 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3hwk h VAL 71 CO 0.08 0.30 0.07 0.00 0.02 0.00 0.00 177.57 178.05 3hwk h ALA 72 N 0.78 0.36 -0.20 1.67 0.00 -0.54 0.13 119.26 121.47 3hwk h ALA 72 Ca 0.07 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hwk h ALA 72 Cb 0.46 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3hwk h ALA 72 CO 0.02 -0.33 -0.07 0.35 0.00 0.00 0.00 179.25 179.22 3hwk h PHE 73 N 0.20 -0.15 -0.02 0.00 3.57 -1.19 -1.38 116.94 117.97 3hwk h PHE 73 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3hwk h PHE 73 Cb 0.17 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3hwk h PHE 73 CO -0.18 -0.11 -0.04 1.25 -2.23 0.00 0.00 178.31 177.01 3hwk h LEU 74 N -0.03 -0.11 -0.43 0.59 5.85 -0.38 0.19 115.31 121.00 3hwk h LEU 74 Ca 0.10 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.93 3hwk h LEU 74 Cb 0.18 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3hwk h LEU 74 CO -0.22 -0.05 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.63 3hwk h LEU 75 N -0.05 -0.46 -0.03 2.25 3.38 -0.46 0.23 115.31 120.17 3hwk h LEU 75 Ca 0.02 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3hwk h LEU 75 Cb 0.09 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hwk h LEU 75 CO -0.06 -0.16 -0.12 -0.50 0.09 0.00 0.00 178.44 177.69 3hwk h TRP 76 N -0.03 0.17 0.00 1.13 6.55 -0.96 -3.37 115.95 119.45 3hwk h TRP 76 Ca 0.21 -0.07 -0.13 0.00 0.95 0.00 0.00 58.89 59.84 3hwk h TRP 76 Cb 0.34 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.59 3hwk h TRP 76 CO -0.39 0.76 -1.11 0.00 -1.05 0.00 0.00 178.44 176.65 3hwk h ARG 77 N -0.46 0.00 0.00 0.49 2.47 -0.56 -3.48 114.38 112.84 3hwk h ARG 77 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3hwk h ARG 77 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 3hwk h ARG 77 CO 0.02 0.31 0.00 0.41 0.56 0.00 0.00 179.97 181.27 3hwk n GLY 78 N 1.32 0.72 3.08 0.04 0.00 0.80 -5.05 105.19 106.10 3hwk n GLY 78 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3hwk n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwk s GLU 79 N -0.60 0.53 0.58 1.61 0.41 -1.25 -5.00 118.70 114.99 3hwk s GLU 79 Ca 0.00 -0.79 -0.19 0.00 -0.41 0.00 0.00 54.97 53.58 3hwk s GLU 79 Cb 0.00 0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.51 3hwk s GLU 79 CO 0.00 -0.12 1.18 -0.51 -0.49 0.00 0.00 175.26 175.32 3hwk s LEU 80 N -2.10 3.68 0.29 1.80 1.43 -1.26 -3.91 118.68 118.61 3hwk s LEU 80 Ca -0.06 2.32 -0.28 0.00 -1.03 0.00 0.00 54.13 55.09 3hwk s LEU 80 Cb -0.02 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.52 3hwk s LEU 80 CO -0.05 -1.49 0.95 -2.16 0.23 0.00 0.00 176.35 173.83 3hwk s PRO 81 N -3.34 4.70 0.91 1.29 0.04 -1.26 -5.00 135.00 132.35 3hwk s PRO 81 Ca 0.76 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 3hwk s PRO 81 Cb -0.28 -3.03 0.14 0.00 0.04 0.00 0.00 34.50 31.37 3hwk s PRO 81 CO 0.31 0.37 1.12 0.95 0.04 0.00 0.00 177.00 179.80 3hwk s THR 82 N -1.39 2.35 0.30 1.26 -4.23 -1.26 -4.74 115.64 107.93 3hwk s THR 82 Ca 0.46 0.11 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 3hwk s THR 82 Cb -0.23 -2.26 0.30 0.00 1.34 0.00 0.00 72.50 71.65 3hwk s THR 82 CO 0.29 -0.15 1.72 0.44 -0.54 0.00 0.00 174.62 176.37 3hwk h ASP 83 N -1.79 0.53 -0.17 3.99 3.32 -1.99 -0.84 116.42 119.47 3hwk h ASP 83 Ca -0.46 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 3hwk h ASP 83 Cb 1.27 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3hwk h ASP 83 CO 0.45 0.07 -0.05 0.00 -1.72 0.00 0.00 179.24 178.00 3hwk h ALA 84 N 1.71 0.23 -0.65 3.45 0.00 -1.99 -1.17 119.26 120.84 3hwk h ALA 84 Ca 0.60 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3hwk h ALA 84 Cb 1.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3hwk h ALA 84 CO -0.49 0.00 0.40 0.93 0.00 0.00 0.00 179.25 180.09 3hwk h GLU 85 N 0.03 0.77 -0.65 0.00 5.08 -1.77 -2.02 114.58 116.01 3hwk h GLU 85 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hwk h GLU 85 Cb 0.49 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3hwk h GLU 85 CO 0.02 0.51 0.32 1.25 -1.00 0.00 0.00 179.01 180.10 3hwk h LEU 86 N 0.79 0.84 -0.96 1.33 5.85 -1.07 -0.04 115.31 122.06 3hwk h LEU 86 Ca 0.26 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3hwk h LEU 86 Cb 0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3hwk h LEU 86 CO -0.10 0.73 0.16 0.00 -0.34 0.00 0.00 178.44 178.89 3hwk h ALA 87 N 1.14 1.16 -0.29 1.25 0.00 -0.77 0.16 119.26 121.91 3hwk h ALA 87 Ca 0.22 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 87 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hwk h ALA 87 CO -0.03 0.58 -0.53 -0.07 0.00 0.00 0.00 179.25 179.20 3hwk h LEU 88 N 0.88 0.96 -0.44 0.00 3.38 -1.09 -2.54 115.31 116.46 3hwk h LEU 88 Ca 0.19 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3hwk h LEU 88 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hwk h LEU 88 CO -0.00 1.31 0.15 0.15 0.09 0.00 0.00 178.44 180.14 3hwk h PHE 89 N 0.65 0.70 -0.37 1.13 3.57 -0.61 -1.69 116.94 120.32 3hwk h PHE 89 Ca 0.02 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 3hwk h PHE 89 Cb 1.14 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3hwk h PHE 89 CO 0.07 0.62 -0.08 1.03 -2.23 0.00 0.00 178.31 177.73 3hwk h SER 90 N 0.58 0.61 -0.49 0.41 0.87 -0.74 -1.83 113.55 112.95 3hwk h SER 90 Ca 0.14 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 3hwk h SER 90 Cb 0.24 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3hwk h SER 90 CO -0.01 0.73 -0.04 -0.61 -0.53 0.00 0.00 176.83 176.37 3hwk h GLN 91 N 0.58 0.89 -0.66 2.24 5.75 -1.20 -1.87 115.11 120.84 3hwk h GLN 91 Ca 0.11 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 3hwk h GLN 91 Cb 0.48 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3hwk h GLN 91 CO 0.03 0.94 0.21 0.00 -2.65 0.00 0.00 178.83 177.36 3hwk h ARG 92 N 0.74 1.02 0.18 1.69 3.08 -1.02 -1.42 114.38 118.65 3hwk h ARG 92 Ca 0.13 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hwk h ARG 92 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hwk h ARG 92 CO 0.03 0.89 -0.14 1.49 -1.07 0.00 0.00 179.97 181.16 3hwk h GLU 93 N 0.95 -0.32 -0.55 0.04 4.22 -1.24 -2.35 114.58 115.33 3hwk h GLU 93 Ca 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.67 3hwk h GLU 93 Cb 0.29 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3hwk h GLU 93 CO -0.01 -0.21 0.31 0.00 -2.18 0.00 0.00 179.01 176.92 3hwk h ARG 94 N -0.33 0.75 0.00 1.92 3.08 -1.29 -0.98 114.38 117.52 3hwk h ARG 94 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hwk h ARG 94 Cb 0.30 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hwk h ARG 94 CO -0.02 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.42 3hwk n ALA 95 N -2.45 1.80 -0.62 0.04 0.00 -0.54 -3.56 120.51 115.18 3hwk n ALA 95 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.60 3hwk n ALA 95 Cb 0.09 -1.39 0.21 0.00 0.00 0.00 0.00 19.45 18.36 3hwk n ALA 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwk n SER 96 N -2.11 3.41 0.14 0.00 7.64 -0.38 -4.68 113.62 117.64 3hwk n SER 96 Ca 0.03 -2.55 0.12 0.00 1.01 0.00 0.00 58.87 57.48 3hwk n SER 96 Cb 0.26 -0.39 0.12 0.00 -1.01 0.00 0.00 64.21 63.19 3hwk n SER 96 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3hwk h ARG 97 N 1.83 0.00 -7.02 1.43 3.08 -1.59 -3.36 114.38 108.75 3hwk h ARG 97 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3hwk h ARG 97 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3hwk h ARG 97 CO 0.12 0.00 0.36 1.03 -1.07 0.00 0.00 179.97 180.41 3hwk s ARG 98 N -3.26 4.18 0.01 0.04 0.52 -1.26 -4.58 118.95 114.60 3hwk s ARG 98 Ca 0.04 1.25 0.05 0.00 -0.52 0.00 0.00 55.73 56.55 3hwk s ARG 98 Cb 0.08 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 3hwk s ARG 98 CO 0.72 -0.08 -0.14 0.14 0.02 0.00 0.00 175.30 175.96 3hwk s VAL 99 N -1.99 3.12 0.86 3.52 -7.23 -1.26 -4.98 120.40 112.45 3hwk s VAL 99 Ca 0.61 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.71 3hwk s VAL 99 Cb -0.14 -2.31 0.14 0.00 0.56 0.00 0.00 36.38 34.63 3hwk s VAL 99 CO 0.18 0.42 1.22 -1.81 -0.31 0.00 0.00 175.10 174.79 3hwk s ASP 100 N -1.26 3.90 0.37 4.85 1.01 -1.26 -4.89 116.67 119.39 3hwk s ASP 100 Ca 0.15 0.44 0.05 0.00 0.71 0.00 0.00 52.55 53.90 3hwk s ASP 100 Cb -0.11 -0.74 0.73 0.00 1.01 0.00 0.00 42.92 43.81 3hwk s ASP 100 CO 0.05 -2.25 2.00 0.03 0.21 0.00 0.00 175.17 175.21 3hwk h ARG 101 N -1.24 0.73 -0.98 8.23 3.08 -2.01 -2.28 114.38 119.91 3hwk h ARG 101 Ca -0.45 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.58 3hwk h ARG 101 Cb 1.28 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 3hwk h ARG 101 CO 0.51 0.48 0.64 0.77 -1.07 0.00 0.00 179.97 181.31 3hwk h SER 102 N 0.75 1.10 -0.35 7.04 0.02 -1.99 0.39 113.55 120.51 3hwk h SER 102 Ca 0.24 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3hwk h SER 102 Cb 0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3hwk h SER 102 CO -0.06 0.78 -0.22 -0.03 -1.14 0.00 0.00 176.83 176.15 3hwk h MET 103 N 1.29 0.77 -0.25 3.45 1.85 -1.80 -1.93 114.93 118.30 3hwk h MET 103 Ca 0.37 -0.36 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 3hwk h MET 103 Cb -0.09 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 3hwk h MET 103 CO -0.10 0.98 0.01 -0.07 -0.40 0.00 0.00 176.91 177.33 3hwk h LEU 104 N 0.55 0.35 0.15 3.39 3.38 -0.86 -1.40 115.31 120.87 3hwk h LEU 104 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 104 Cb 0.78 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hwk h LEU 104 CO 0.06 0.40 -0.07 -1.28 0.09 0.00 0.00 178.44 177.64 3hwk h SER 105 N 0.37 -0.17 -0.54 -0.43 0.87 -0.79 -1.92 113.55 110.94 3hwk h SER 105 Ca 0.08 -0.26 0.11 0.00 -1.23 0.00 0.00 61.79 60.49 3hwk h SER 105 Cb 0.24 0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.13 3hwk h SER 105 CO 0.00 0.19 -0.22 0.25 -0.53 0.00 0.00 176.83 176.52 3hwk h LEU 106 N -0.55 -0.76 -0.80 2.23 5.85 -1.08 -1.60 115.31 118.59 3hwk h LEU 106 Ca -0.02 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hwk h LEU 106 Cb 0.42 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3hwk h LEU 106 CO 0.03 -0.24 0.49 -0.07 -0.34 0.00 0.00 178.44 178.31 3hwk h LEU 107 N -0.09 0.97 -1.27 2.25 3.38 -1.20 -2.15 115.31 117.19 3hwk h LEU 107 Ca 0.25 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3hwk h LEU 107 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hwk h LEU 107 CO -0.60 0.75 -0.30 0.00 0.09 0.00 0.00 178.44 178.38 3hwk h ALA 108 N 1.26 1.39 0.00 1.53 0.00 -1.02 -3.22 119.26 119.21 3hwk h ALA 108 Ca 0.29 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hwk h ALA 108 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hwk h ALA 108 CO -0.05 0.44 -0.57 0.87 0.00 0.00 0.00 179.25 179.93 3hwk h LYS 109 N 0.10 0.00 -7.01 0.00 1.57 -0.66 -3.46 116.57 107.11 3hwk h LYS 109 Ca 0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.26 3hwk h LYS 109 Cb 0.58 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.00 3hwk h LYS 109 CO 0.04 0.57 0.60 -0.51 -0.57 0.00 0.00 179.45 179.58 3hwk s LEU 110 N -6.52 4.00 0.39 2.94 1.43 -0.99 -4.90 118.68 115.03 3hwk s LEU 110 Ca 0.03 2.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.57 3hwk s LEU 110 Cb 0.08 -4.14 -0.12 0.00 0.03 0.00 0.00 46.19 42.05 3hwk s LEU 110 CO 0.75 -1.24 0.90 -2.65 0.23 0.00 0.00 176.35 174.34 3hwk n PRO 111 N -0.55 1.14 -0.28 1.29 -0.02 -1.26 -4.86 135.00 130.46 3hwk n PRO 111 Ca 0.08 0.41 0.27 0.00 -2.02 0.00 0.00 63.50 62.24 3hwk n PRO 111 Cb 0.45 -1.86 0.63 0.00 -0.02 0.00 0.00 33.50 32.70 3hwk n PRO 111 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hwk h ASP 112 N 1.45 0.21 0.00 2.55 5.19 -1.92 -3.20 116.42 120.70 3hwk h ASP 112 Ca -0.42 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 3hwk h ASP 112 Cb 1.35 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 3hwk h ASP 112 CO 0.56 0.05 -0.22 -0.46 -3.12 0.00 0.00 179.24 176.06 3hwk n ASN 113 N -4.40 1.72 -4.85 6.45 0.23 -1.26 -4.95 115.26 108.20 3hwk n ASN 113 Ca 0.23 -2.93 -0.31 0.00 -0.53 0.00 0.00 54.58 51.04 3hwk n ASN 113 Cb 0.98 -0.39 0.04 0.00 -2.08 0.00 0.00 39.78 38.33 3hwk n ASN 113 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwk s HIS 115 N -3.19 3.05 0.54 0.00 2.46 -1.26 -4.89 115.29 112.01 3hwk s HIS 115 Ca 0.57 0.83 0.35 0.00 0.47 0.00 0.00 55.06 57.28 3hwk s HIS 115 Cb -0.12 -3.86 1.53 0.00 -0.13 0.00 0.00 32.58 29.99 3hwk s HIS 115 CO 0.54 -3.02 1.83 -1.35 -2.47 0.00 0.00 174.74 170.27 3hwk h PRO 116 N 6.02 0.00 0.00 2.88 0.11 -1.94 0.37 132.00 139.43 3hwk h PRO 116 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3hwk h PRO 116 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hwk h PRO 116 CO 0.85 0.00 -0.21 0.52 -0.21 0.00 0.00 178.00 178.95 3hwk h MET 117 N 0.00 0.00 -0.36 1.05 2.86 -1.90 -2.22 114.93 114.35 3hwk h MET 117 Ca 0.52 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.09 3hwk h MET 117 Cb 2.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.72 3hwk h MET 117 CO -0.01 0.21 -0.06 -0.44 1.06 0.00 0.00 176.91 177.67 3hwk h ASP 118 N 0.00 0.57 -0.16 1.22 3.32 -0.63 -0.61 116.42 120.13 3hwk h ASP 118 Ca -0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3hwk h ASP 118 Cb 0.42 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hwk h ASP 118 CO 0.03 0.68 0.03 0.58 -1.72 0.00 0.00 179.24 178.83 3hwk h VAL 119 N 0.55 1.22 -0.22 -1.35 2.07 -1.43 0.57 116.25 117.67 3hwk h VAL 119 Ca 0.11 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3hwk h VAL 119 Cb 0.44 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3hwk h VAL 119 CO 0.02 0.21 0.11 0.58 0.02 0.00 0.00 177.57 178.51 3hwk h VAL 120 N 0.05 1.13 -0.21 2.57 2.07 -1.35 0.36 116.25 120.86 3hwk h VAL 120 Ca 0.05 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3hwk h VAL 120 Cb 0.30 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3hwk h VAL 120 CO 0.00 0.12 -0.16 -0.09 0.02 0.00 0.00 177.57 177.47 3hwk h ARG 121 N 0.23 -0.15 -0.42 1.57 2.43 -1.00 -0.54 114.38 116.48 3hwk h ARG 121 Ca 0.07 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 3hwk h ARG 121 Cb 0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3hwk h ARG 121 CO -0.01 -0.10 -0.26 1.15 -1.51 0.00 0.00 179.97 179.24 3hwk h THR 122 N -0.16 1.27 -0.30 0.20 2.02 -0.67 -2.40 112.91 112.88 3hwk h THR 122 Ca 0.12 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 3hwk h THR 122 Cb 0.34 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3hwk h THR 122 CO -0.31 0.48 0.05 0.00 0.37 0.00 0.00 175.52 176.11 3hwk h ALA 123 N 0.93 0.40 -0.50 6.16 0.00 -0.01 -0.99 119.26 125.26 3hwk h ALA 123 Ca 0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3hwk h ALA 123 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3hwk h ALA 123 CO 0.07 0.10 0.03 0.82 0.00 0.00 0.00 179.25 180.27 3hwk h ILE 124 N 0.33 1.26 -0.92 0.00 1.08 -1.09 0.06 117.51 118.22 3hwk h ILE 124 Ca 0.09 -1.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 3hwk h ILE 124 Cb 0.35 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 3hwk h ILE 124 CO 0.01 0.36 0.61 -1.28 -0.69 0.00 0.00 178.15 177.16 3hwk h SER 125 N 0.72 1.06 -0.27 1.72 0.87 -1.35 -1.02 113.55 115.28 3hwk h SER 125 Ca 0.14 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3hwk h SER 125 Cb 0.48 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3hwk h SER 125 CO 0.02 0.77 0.07 0.22 -0.53 0.00 0.00 176.83 177.38 3hwk h TYR 126 N 1.25 0.44 -0.66 2.24 3.20 -0.57 -2.44 116.97 120.43 3hwk h TYR 126 Ca 0.34 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.19 3hwk h TYR 126 Cb -0.14 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3hwk h TYR 126 CO 0.00 0.49 0.44 -0.07 -1.64 0.00 0.00 178.16 177.38 3hwk h LEU 127 N 0.26 0.69 -0.64 2.82 3.38 -0.53 -1.51 115.31 119.78 3hwk h LEU 127 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hwk h LEU 127 Cb 0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3hwk h LEU 127 CO -0.00 0.48 0.36 1.23 0.09 0.00 0.00 178.44 180.60 3hwk h GLY 128 N 0.81 0.95 1.80 0.83 0.00 -0.97 -2.10 103.07 104.38 3hwk h GLY 128 Ca 0.26 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3hwk h GLY 128 CO -0.07 0.40 -0.21 0.00 0.00 0.00 0.00 176.54 176.67 3hwk h ALA 129 N 1.18 1.38 -0.00 3.60 0.00 -0.87 -2.45 119.26 122.10 3hwk h ALA 129 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hwk h ALA 129 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hwk h ALA 129 CO -0.04 0.43 -0.07 0.39 0.00 0.00 0.00 179.25 179.96 3hwk n GLU 130 N -4.20 0.25 -3.21 0.00 -0.58 -0.65 -4.82 120.64 107.43 3hwk n GLU 130 Ca -0.01 -0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.26 3hwk n GLU 130 Cb 0.33 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.62 3hwk n GLU 130 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hwk s ASP 131 N -2.78 6.27 0.50 1.62 -1.08 -0.83 -4.93 116.67 115.45 3hwk s ASP 131 Ca 0.21 -0.43 0.34 0.00 -0.52 0.00 0.00 52.55 52.15 3hwk s ASP 131 Cb 0.19 -2.27 1.74 0.00 -1.46 0.00 0.00 42.92 41.12 3hwk s ASP 131 CO 0.52 -0.66 2.03 1.55 0.52 0.00 0.00 175.17 179.13 3hwk h PRO 132 N 8.76 0.00 -0.38 4.34 0.13 -1.87 -0.63 132.00 142.35 3hwk h PRO 132 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hwk h PRO 132 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hwk h PRO 132 CO 0.84 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 3hwk n ASP 133 N -2.74 2.52 -0.34 1.44 8.00 -1.26 -4.64 116.55 119.53 3hwk n ASP 133 Ca -0.01 -1.91 0.20 0.00 0.71 0.00 0.00 54.79 53.77 3hwk n ASP 133 Cb 0.11 -0.25 0.42 0.00 -0.02 0.00 0.00 41.12 41.39 3hwk n ASP 133 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3hwk h GLU 134 N 3.01 0.45 -0.40 -1.24 4.81 -1.39 -1.96 114.58 117.86 3hwk h GLU 134 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hwk h GLU 134 Cb 0.68 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3hwk h GLU 134 CO 0.00 0.30 0.00 -0.25 -0.73 0.00 0.00 179.01 178.33 3hwk n ASP 135 N -4.97 3.20 -4.43 1.04 8.00 -1.26 -4.33 116.55 113.80 3hwk n ASP 135 Ca 0.29 -1.93 -0.44 0.00 0.71 0.00 0.00 54.79 53.43 3hwk n ASP 135 Cb 0.85 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.61 3hwk n ASP 135 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hwk s ASP 136 N -1.14 6.17 0.49 -2.24 2.15 -0.74 -4.94 116.67 116.42 3hwk s ASP 136 Ca 0.32 -1.03 0.20 0.00 0.43 0.00 0.00 52.55 52.47 3hwk s ASP 136 Cb 0.18 -2.22 1.26 0.00 -0.30 0.00 0.00 42.92 41.84 3hwk s ASP 136 CO 0.24 -0.67 2.07 0.00 -0.17 0.00 0.00 175.17 176.64 3hwk h ALA 137 N 8.79 1.61 0.00 3.66 0.00 -1.88 -1.93 119.26 129.51 3hwk h ALA 137 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hwk h ALA 137 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hwk h ALA 137 CO 0.86 0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.26 3hwk n ALA 138 N -2.43 1.42 -0.39 0.00 0.00 -1.26 -1.77 120.51 116.08 3hwk n ALA 138 Ca -0.02 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.60 3hwk n ALA 138 Cb 0.20 -1.29 0.30 0.00 0.00 0.00 0.00 19.45 18.66 3hwk n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwk n ALA 139 N -1.69 2.46 -0.30 0.00 0.00 -0.73 -4.66 120.51 115.60 3hwk n ALA 139 Ca 0.01 -1.34 0.12 0.00 0.00 0.00 0.00 53.44 52.23 3hwk n ALA 139 Cb 0.14 -0.84 0.28 0.00 0.00 0.00 0.00 19.45 19.03 3hwk n ALA 139 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hwk h ASN 140 N 3.80 0.33 -0.19 0.00 2.35 -1.45 -1.69 115.58 118.73 3hwk h ASN 140 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hwk h ASN 140 Cb 1.02 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3hwk h ASN 140 CO 0.04 0.03 0.12 0.03 -1.65 0.00 0.00 177.43 176.00 3hwk h ARG 141 N 0.42 0.24 -0.70 0.81 3.08 -1.85 0.83 114.38 117.22 3hwk h ARG 141 Ca 0.53 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 3hwk h ARG 141 Cb 0.97 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3hwk h ARG 141 CO -0.50 0.16 0.36 0.00 -1.07 0.00 0.00 179.97 178.92 3hwk h ALA 142 N 1.07 0.90 -0.32 0.04 0.00 -1.80 -1.49 119.26 117.66 3hwk h ALA 142 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3hwk h ALA 142 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hwk h ALA 142 CO -0.02 0.44 -0.33 0.87 0.00 0.00 0.00 179.25 180.21 3hwk h LYS 143 N 0.97 0.69 -0.71 0.00 1.57 -1.02 -1.63 116.57 116.44 3hwk h LYS 143 Ca 0.24 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3hwk h LYS 143 Cb 0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3hwk h LYS 143 CO -0.03 0.93 0.40 0.00 -0.57 0.00 0.00 179.45 180.17 3hwk h ALA 144 N 1.05 0.91 -0.23 3.86 0.00 -0.65 -1.14 119.26 123.07 3hwk h ALA 144 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 144 Cb 0.84 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hwk h ALA 144 CO 0.07 0.42 0.14 1.98 0.00 0.00 0.00 179.25 181.87 3hwk h MET 145 N 0.98 0.31 -0.70 0.00 1.85 -1.04 -1.30 114.93 115.03 3hwk h MET 145 Ca 0.25 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.27 3hwk h MET 145 Cb 0.03 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 31.96 3hwk h MET 145 CO -0.04 0.24 0.25 0.00 -0.40 0.00 0.00 176.91 176.96 3hwk h ARG 146 N 0.29 1.07 -0.42 0.39 3.08 -1.10 -2.04 114.38 115.65 3hwk h ARG 146 Ca 0.08 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3hwk h ARG 146 Cb 0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3hwk h ARG 146 CO -0.02 0.90 0.00 0.52 -1.07 0.00 0.00 179.97 180.31 3hwk h MET 147 N 1.01 0.74 -0.97 0.04 2.86 -1.08 -1.82 114.93 115.72 3hwk h MET 147 Ca 0.23 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3hwk h MET 147 Cb 0.25 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 3hwk h MET 147 CO -0.01 0.82 0.64 1.98 1.06 0.00 0.00 176.91 181.39 3hwk h MET 148 N 0.58 1.23 -0.01 1.72 1.85 -1.12 -2.40 114.93 116.79 3hwk h MET 148 Ca 0.12 -0.07 -0.16 0.00 -0.61 0.00 0.00 59.70 58.97 3hwk h MET 148 Cb 0.48 -0.28 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 3hwk h MET 148 CO 0.02 0.82 -0.75 0.00 -0.40 0.00 0.00 176.91 176.60 3hwk h ALA 149 N 1.38 0.74 0.00 0.39 0.00 -1.12 -3.34 119.26 117.30 3hwk h ALA 149 Ca 0.37 -0.67 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 3hwk h ALA 149 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hwk h ALA 149 CO -0.10 0.90 -1.67 1.55 0.00 0.00 0.00 179.25 179.93 3hwk n VAL 150 N -3.69 1.26 -0.12 0.00 3.14 -0.71 -4.35 118.33 113.86 3hwk n VAL 150 Ca -0.02 -0.73 -0.05 0.00 -2.96 0.00 0.00 64.34 60.59 3hwk n VAL 150 Cb 0.72 -0.73 0.03 0.00 -1.06 0.00 0.00 33.84 32.80 3hwk n VAL 150 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hwk h LEU 151 N 0.00 0.00 -1.66 6.55 3.38 -1.55 -1.71 115.31 120.32 3hwk h LEU 151 Ca -0.24 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hwk h LEU 151 Cb 1.76 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 3hwk h LEU 151 CO 0.05 0.04 0.25 -0.65 0.09 0.00 0.00 178.44 178.22 3hwk h PRO 152 N 0.20 0.45 -0.42 1.13 0.11 -1.78 0.31 132.00 132.01 3hwk h PRO 152 Ca 0.20 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3hwk h PRO 152 Cb 0.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3hwk h PRO 152 CO -0.26 0.30 0.01 1.15 -0.21 0.00 0.00 178.00 178.98 3hwk h THR 153 N 0.46 1.26 0.01 -1.15 2.02 -1.56 -0.49 112.91 113.46 3hwk h THR 153 Ca 0.15 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 3hwk h THR 153 Cb 0.03 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3hwk h THR 153 CO -0.03 0.35 -0.00 0.40 0.37 0.00 0.00 175.52 176.60 3hwk h ILE 154 N 0.57 1.20 -0.53 3.11 2.04 -0.48 -2.49 117.51 120.93 3hwk h ILE 154 Ca 0.12 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3hwk h ILE 154 Cb 0.48 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3hwk h ILE 154 CO 0.02 0.16 0.32 0.58 0.00 0.00 0.00 178.15 179.23 3hwk h VAL 155 N -0.28 1.06 -0.40 1.67 2.07 -0.32 -1.97 116.25 118.08 3hwk h VAL 155 Ca -0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3hwk h VAL 155 Cb 0.27 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hwk h VAL 155 CO 0.00 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.71 3hwk h ALA 156 N 1.23 0.54 -0.27 1.67 0.00 -1.12 -0.63 119.26 120.68 3hwk h ALA 156 Ca 0.21 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hwk h ALA 156 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hwk h ALA 156 CO -0.09 0.32 0.04 0.82 0.00 0.00 0.00 179.25 180.34 3hwk h ILE 157 N 0.54 0.86 -0.41 0.00 2.04 -1.27 -0.90 117.51 118.37 3hwk h ILE 157 Ca 0.11 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3hwk h ILE 157 Cb 0.47 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3hwk h ILE 157 CO 0.02 0.03 -0.16 -0.78 0.00 0.00 0.00 178.15 177.25 3hwk h ASP 158 N 0.14 0.77 -0.59 1.72 3.58 -1.10 0.58 116.42 121.52 3hwk h ASP 158 Ca 0.13 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 3hwk h ASP 158 Cb 0.14 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 3hwk h ASP 158 CO -0.18 0.93 0.27 -0.03 -2.88 0.00 0.00 179.24 177.36 3hwk h MET 159 N 0.68 0.86 -0.07 0.28 4.05 -0.87 -2.84 114.93 117.02 3hwk h MET 159 Ca 0.11 -0.13 -0.14 0.00 -0.28 0.00 0.00 59.70 59.25 3hwk h MET 159 Cb 0.65 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3hwk h MET 159 CO 0.05 0.71 -0.59 0.00 0.23 0.00 0.00 176.91 177.30 3hwk h ARG 160 N 0.81 0.25 -0.92 0.39 3.08 -0.89 -3.21 114.38 113.89 3hwk h ARG 160 Ca 0.20 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hwk h ARG 160 Cb 0.14 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 3hwk h ARG 160 CO -0.02 0.77 0.60 -0.09 -1.07 0.00 0.00 179.97 180.15 3hwk h ARG 161 N 0.19 1.14 0.00 0.04 2.43 -0.68 0.17 114.38 117.67 3hwk h ARG 161 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hwk h ARG 161 Cb 1.09 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3hwk h ARG 161 CO 0.09 0.75 0.00 0.54 -1.51 0.00 0.00 179.97 179.84 3hwk n ARG 162 N -4.49 0.08 -0.30 0.20 1.74 -1.09 -1.64 116.66 111.16 3hwk n ARG 162 Ca 0.12 0.13 0.08 0.00 -0.77 0.00 0.00 57.85 57.41 3hwk n ARG 162 Cb 0.08 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.26 3hwk n ARG 162 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hwk n ARG 163 N -1.44 2.91 -1.98 5.56 1.74 -0.42 -4.95 116.66 118.07 3hwk n ARG 163 Ca 0.06 -2.39 -0.12 0.00 -0.77 0.00 0.00 57.85 54.63 3hwk n ARG 163 Cb 0.22 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 3hwk n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hwk n GLY 164 N 0.93 0.29 3.50 -0.13 0.00 -0.65 -5.02 105.19 104.11 3hwk n GLY 164 Ca 0.18 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3hwk n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwk s LEU 165 N -3.29 2.87 0.80 0.99 1.43 0.48 -5.00 118.68 116.95 3hwk s LEU 165 Ca 0.00 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3hwk s LEU 165 Cb 0.00 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.69 3hwk s LEU 165 CO 0.00 0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.85 3hwk s PRO 166 N -0.66 2.06 0.67 1.29 0.04 -1.26 -3.40 135.00 133.74 3hwk s PRO 166 Ca 0.10 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 3hwk s PRO 166 Cb -0.11 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3hwk s PRO 166 CO 0.01 -1.64 1.16 -2.14 0.04 0.00 0.00 177.00 174.42 3hwk s PRO 167 N -5.14 2.60 -0.13 0.56 0.02 -1.26 -4.91 135.00 126.73 3hwk s PRO 167 Ca 0.61 1.58 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3hwk s PRO 167 Cb -0.15 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 3hwk s PRO 167 CO 0.54 -1.44 -0.15 0.42 -0.33 0.00 0.00 177.00 176.04 3hwk s ILE 168 N -2.10 2.90 0.46 2.83 1.01 -1.26 -5.11 121.20 119.93 3hwk s ILE 168 Ca 0.71 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 3hwk s ILE 168 Cb -0.25 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 3hwk s ILE 168 CO 0.41 0.53 1.38 0.00 0.00 0.00 0.00 174.94 177.26 3hwk n ALA 169 N 3.58 1.80 -1.62 9.38 0.00 -1.26 -4.79 120.51 127.60 3hwk n ALA 169 Ca -0.18 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 3hwk n ALA 169 Cb 0.53 -2.36 0.05 0.00 0.00 0.00 0.00 19.45 17.67 3hwk n ALA 169 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hwk n PRO 170 N -0.26 0.88 -3.98 0.00 -0.02 -1.26 -4.85 135.00 125.51 3hwk n PRO 170 Ca 0.06 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 3hwk n PRO 170 Cb 0.41 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 3hwk n PRO 170 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hwk s HIS 171 N -1.52 3.03 -0.72 6.00 2.46 -1.26 -4.99 115.29 118.29 3hwk s HIS 171 Ca 0.76 -1.55 0.21 0.00 0.47 0.00 0.00 55.06 54.96 3hwk s HIS 171 Cb -0.41 -2.04 0.87 0.00 -0.13 0.00 0.00 32.58 30.86 3hwk s HIS 171 CO 0.47 -0.73 1.66 -1.13 -2.47 0.00 0.00 174.74 172.53 3hwk n SER 172 N 4.66 0.42 -0.58 9.88 3.41 -1.26 -1.45 113.62 128.70 3hwk n SER 172 Ca -0.17 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 3hwk n SER 172 Cb 0.47 -0.68 0.41 0.00 -0.26 0.00 0.00 64.21 64.15 3hwk n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hwk n GLY 173 N 0.28 0.29 3.56 5.00 0.00 -1.26 -4.91 105.19 108.15 3hwk n GLY 173 Ca 0.03 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3hwk n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwk s LEU 174 N -1.75 3.11 1.09 0.99 1.43 -0.53 -5.11 118.68 117.91 3hwk s LEU 174 Ca 0.35 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 3hwk s LEU 174 Cb 0.19 -1.68 0.24 0.00 0.03 0.00 0.00 46.19 44.97 3hwk s LEU 174 CO 0.29 0.34 1.07 -0.83 0.23 0.00 0.00 176.35 177.45 3hwk s GLY 175 N -0.66 1.55 0.13 -3.19 0.00 -1.26 -4.64 107.32 99.25 3hwk s GLY 175 Ca 0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 3hwk s GLY 175 CO 0.02 0.29 1.58 -1.82 0.00 0.00 0.00 173.10 173.17 3hwk h TYR 176 N -2.24 -1.24 -0.35 1.90 5.03 -1.98 0.13 116.97 118.22 3hwk h TYR 176 Ca -0.56 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 60.79 3hwk h TYR 176 Cb 1.33 0.56 -0.02 0.00 1.55 0.00 0.00 36.73 40.16 3hwk h TYR 176 CO -0.05 -0.48 0.18 0.00 -1.32 0.00 0.00 178.16 176.49 3hwk h ALA 177 N 0.09 0.45 -0.74 1.82 0.00 -1.95 -2.40 119.26 116.52 3hwk h ALA 177 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 177 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hwk h ALA 177 CO -0.41 -0.01 0.31 1.96 0.00 0.00 0.00 179.25 181.11 3hwk h GLN 178 N 0.44 1.08 -0.38 0.00 4.20 -1.82 -2.87 115.11 115.76 3hwk h GLN 178 Ca 0.12 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3hwk h GLN 178 Cb 0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3hwk h GLN 178 CO -0.02 0.87 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.96 3hwk h ASN 179 N 1.06 0.73 0.12 1.46 -1.24 -0.43 0.14 115.58 117.42 3hwk h ASN 179 Ca 0.25 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.90 3hwk h ASN 179 Cb 0.18 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.03 3hwk h ASN 179 CO -0.02 0.91 -0.06 0.15 -1.29 0.00 0.00 177.43 177.12 3hwk h PHE 180 N 0.53 -0.14 -0.66 0.67 3.04 -1.37 0.37 116.94 119.37 3hwk h PHE 180 Ca 0.10 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.16 3hwk h PHE 180 Cb 0.58 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.06 3hwk h PHE 180 CO 0.05 0.00 0.22 -0.07 -2.02 0.00 0.00 178.31 176.49 3hwk h LEU 181 N -0.26 0.17 -0.93 0.59 3.38 -1.39 0.20 115.31 117.08 3hwk h LEU 181 Ca -0.02 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 181 Cb 0.21 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3hwk h LEU 181 CO 0.03 0.08 -0.00 -0.74 0.09 0.00 0.00 178.44 177.89 3hwk h HIS 182 N 0.37 0.82 0.00 1.13 2.76 -0.20 -0.71 115.15 119.32 3hwk h HIS 182 Ca 0.35 -0.11 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 3hwk h HIS 182 Cb 0.49 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3hwk h HIS 182 CO -0.19 0.77 -0.41 0.52 -1.30 0.00 0.00 177.93 177.32 3hwk h MET 183 N 0.72 0.00 0.00 5.26 2.86 0.13 0.57 114.93 124.47 3hwk h MET 183 Ca 0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3hwk h MET 183 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3hwk h MET 183 CO 0.02 0.41 -0.00 0.00 1.06 0.00 0.00 176.91 178.39 3hwk n PHE 185 N -4.68 0.00 -0.36 0.00 3.72 -0.30 -4.88 117.46 110.97 3hwk n PHE 185 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3hwk n PHE 185 Cb 0.42 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3hwk n PHE 185 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hwk n GLY 186 N 1.34 1.31 2.93 1.37 0.00 0.19 -5.00 105.19 107.32 3hwk n GLY 186 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3hwk n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwk s GLU 187 N -0.36 0.08 -0.10 1.61 2.12 -1.26 -5.01 118.70 115.78 3hwk s GLU 187 Ca 0.00 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 3hwk s GLU 187 Cb 0.00 -0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 3hwk s GLU 187 CO 0.00 -0.09 1.50 0.08 -0.54 0.00 0.00 175.26 176.21 3hwk s VAL 188 N 0.61 3.85 0.26 3.70 1.01 -1.26 -4.31 120.40 124.26 3hwk s VAL 188 Ca -0.05 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 3hwk s VAL 188 Cb -0.06 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.71 3hwk s VAL 188 CO -0.03 -0.09 0.28 -0.81 0.00 0.00 0.00 175.10 174.45 3hwk n PRO 189 N 6.89 -0.97 -1.30 2.72 -0.04 -1.26 -5.01 135.00 136.03 3hwk n PRO 189 Ca 0.16 -0.44 -0.37 0.00 -0.04 0.00 0.00 63.50 62.81 3hwk n PRO 189 Cb 0.44 -0.35 0.06 0.00 -0.04 0.00 0.00 33.50 33.60 3hwk n PRO 189 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hwk n GLU 190 N -2.01 0.33 0.28 0.54 1.02 -1.26 -4.78 120.64 114.77 3hwk n GLU 190 Ca 0.04 0.15 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 3hwk n GLU 190 Cb 0.14 -1.77 0.85 0.00 -0.02 0.00 0.00 31.44 30.63 3hwk n GLU 190 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3hwk h THR 191 N -0.25 0.51 -0.56 2.62 1.35 -1.99 -1.78 112.91 112.81 3hwk h THR 191 Ca -0.45 -0.24 -0.10 0.00 -0.55 0.00 0.00 66.41 65.06 3hwk h THR 191 Cb 1.36 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 3hwk h THR 191 CO 0.43 0.05 -0.06 0.00 -0.25 0.00 0.00 175.52 175.69 3hwk h ALA 192 N 1.95 0.84 -0.03 6.62 0.00 -1.95 -2.19 119.26 124.50 3hwk h ALA 192 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3hwk h ALA 192 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hwk h ALA 192 CO 0.01 0.66 -0.12 0.28 0.00 0.00 0.00 179.25 180.08 3hwk h VAL 193 N 0.91 1.47 -0.16 0.00 2.07 -1.77 -2.78 116.25 115.99 3hwk h VAL 193 Ca 0.15 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.15 3hwk h VAL 193 Cb 0.61 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 3hwk h VAL 193 CO 0.04 0.43 -0.10 0.58 0.02 0.00 0.00 177.57 178.53 3hwk h VAL 194 N -0.42 0.69 -0.78 2.57 2.07 -1.36 0.47 116.25 119.49 3hwk h VAL 194 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3hwk h VAL 194 Cb 0.76 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3hwk h VAL 194 CO 0.03 0.00 0.32 -1.28 0.02 0.00 0.00 177.57 176.66 3hwk h SER 195 N -0.10 1.07 -0.41 0.57 0.87 -1.52 0.14 113.55 114.18 3hwk h SER 195 Ca 0.09 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 3hwk h SER 195 Cb 0.24 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3hwk h SER 195 CO -0.22 0.95 0.01 0.00 -0.53 0.00 0.00 176.83 177.04 3hwk h ALA 196 N 1.17 0.56 -0.44 6.23 0.00 -1.14 -1.34 119.26 124.31 3hwk h ALA 196 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hwk h ALA 196 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hwk h ALA 196 CO -0.02 0.33 0.10 0.35 0.00 0.00 0.00 179.25 180.01 3hwk h PHE 197 N 0.56 0.74 -0.66 0.00 3.57 -0.64 -2.08 116.94 118.42 3hwk h PHE 197 Ca 0.12 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3hwk h PHE 197 Cb 0.46 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3hwk h PHE 197 CO 0.04 0.69 0.44 1.49 -2.23 0.00 0.00 178.31 178.74 3hwk h GLU 198 N 0.57 0.87 -0.29 1.11 4.81 -0.59 -1.91 114.58 119.15 3hwk h GLU 198 Ca 0.14 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 3hwk h GLU 198 Cb 0.33 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hwk h GLU 198 CO 0.00 0.57 -0.52 1.96 -0.73 0.00 0.00 179.01 180.30 3hwk h GLN 199 N 0.89 0.83 -0.47 1.92 4.20 -1.07 -2.06 115.11 119.36 3hwk h GLN 199 Ca 0.24 -0.51 0.06 0.00 0.06 0.00 0.00 58.65 58.50 3hwk h GLN 199 Cb -0.10 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 3hwk h GLN 199 CO -0.05 1.15 0.17 1.03 -0.67 0.00 0.00 178.83 180.45 3hwk h SER 200 N 0.65 0.18 -0.97 1.46 0.87 -0.96 0.95 113.55 115.73 3hwk h SER 200 Ca 0.02 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3hwk h SER 200 Cb 1.12 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.06 3hwk h SER 200 CO 0.11 0.13 0.64 0.24 -0.53 0.00 0.00 176.83 177.43 3hwk h MET 201 N 0.35 1.24 -0.49 2.24 2.86 -1.19 0.28 114.93 120.21 3hwk h MET 201 Ca 0.22 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 3hwk h MET 201 Cb 0.22 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3hwk h MET 201 CO -0.22 0.82 -0.17 0.82 1.06 0.00 0.00 176.91 179.22 3hwk h ILE 202 N 1.28 1.27 -0.09 -1.22 2.04 -0.96 -2.80 117.51 117.03 3hwk h ILE 202 Ca 0.37 -1.32 -0.19 0.00 1.00 0.00 0.00 64.86 64.71 3hwk h ILE 202 Cb -0.09 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3hwk h ILE 202 CO -0.09 0.46 -0.74 -0.07 0.00 0.00 0.00 178.15 177.70 3hwk h LEU 203 N 0.84 0.58 -0.08 1.44 3.38 -0.03 -3.01 115.31 118.43 3hwk h LEU 203 Ca 0.12 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hwk h LEU 203 Cb 0.74 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hwk h LEU 203 CO 0.06 1.14 0.00 -1.22 0.09 0.00 0.00 178.44 178.50 3hwk n TYR 204 N -3.86 0.80 -0.29 1.13 4.01 0.90 -4.50 117.16 115.36 3hwk n TYR 204 Ca -0.05 0.24 0.09 0.00 -0.16 0.00 0.00 57.90 58.02 3hwk n TYR 204 Cb 0.72 -0.89 0.32 0.00 -0.31 0.00 0.00 39.34 39.17 3hwk n TYR 204 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hwk h ALA 205 N 2.55 1.68 -2.25 -0.72 0.00 -1.35 -3.37 119.26 115.81 3hwk h ALA 205 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3hwk h ALA 205 Cb 0.66 -0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.06 3hwk h ALA 205 CO 0.00 0.11 0.00 -2.00 0.00 0.00 0.00 179.25 177.36 3hwk s GLU 206 N -5.79 0.80 -0.35 0.00 2.56 -1.26 -1.92 118.70 112.73 3hwk s GLU 206 Ca -0.11 0.47 0.08 0.00 0.00 0.00 0.00 54.97 55.41 3hwk s GLU 206 Cb 0.21 0.38 0.30 0.00 2.00 0.00 0.00 34.13 37.03 3hwk s GLU 206 CO 0.79 -0.18 1.28 1.58 -0.56 0.00 0.00 175.26 178.18 3hwk n HIS 207 N 1.93 -1.85 -4.75 5.30 -0.00 -1.26 -5.07 115.22 109.52 3hwk n HIS 207 Ca -0.17 -1.54 0.00 0.00 0.46 0.00 0.00 57.72 56.47 3hwk n HIS 207 Cb 0.56 1.46 0.00 0.00 -0.12 0.00 0.00 29.99 31.89 3hwk n HIS 207 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hwk n GLY 208 N -0.71 0.80 2.34 1.57 0.00 -1.26 -3.70 105.19 104.23 3hwk n GLY 208 Ca -0.11 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 3hwk n GLY 208 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hwk n PHE 209 N 0.99 1.23 -0.55 1.61 3.01 -1.26 -4.75 117.46 117.73 3hwk n PHE 209 Ca 0.00 -1.84 -0.28 0.00 1.01 0.00 0.00 57.45 56.34 3hwk n PHE 209 Cb 0.00 -1.39 0.26 0.00 -0.01 0.00 0.00 39.48 38.34 3hwk n PHE 209 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hwk s ASN 210 N 0.72 0.70 0.23 4.37 2.20 -1.24 -4.60 114.94 117.32 3hwk s ASN 210 Ca 0.58 1.41 -0.06 0.00 -0.94 0.00 0.00 52.86 53.85 3hwk s ASN 210 Cb 0.36 -2.18 0.21 0.00 -2.00 0.00 0.00 41.25 37.64 3hwk s ASN 210 CO -0.16 -4.35 1.79 0.00 -2.94 0.00 0.00 177.10 171.43 3hwk h ALA 211 N -2.73 1.07 -0.17 3.54 0.00 -1.95 0.15 119.26 119.17 3hwk h ALA 211 Ca -0.61 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 3hwk h ALA 211 Cb 1.34 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hwk h ALA 211 CO 0.49 0.64 -0.25 0.66 0.00 0.00 0.00 179.25 180.80 3hwk h SER 212 N 1.09 0.52 -0.69 0.00 4.64 -1.88 -0.76 113.55 116.48 3hwk h SER 212 Ca 0.25 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hwk h SER 212 Cb 0.24 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3hwk h SER 212 CO -0.02 0.94 0.43 0.74 -0.87 0.00 0.00 176.83 178.06 3hwk h THR 213 N 0.12 1.19 -0.54 2.95 2.02 -1.80 -2.06 112.91 114.80 3hwk h THR 213 Ca 0.02 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3hwk h THR 213 Cb 0.82 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3hwk h THR 213 CO 0.06 0.19 0.24 0.15 0.37 0.00 0.00 175.52 176.53 3hwk h PHE 214 N 0.93 0.79 -0.66 3.16 3.57 -0.57 -1.39 116.94 122.77 3hwk h PHE 214 Ca 0.25 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.78 3hwk h PHE 214 Cb -0.06 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.37 3hwk h PHE 214 CO -0.02 0.63 0.32 0.00 -2.23 0.00 0.00 178.31 177.01 3hwk h ALA 215 N 1.08 0.89 -0.46 2.41 0.00 -0.91 0.19 119.26 122.48 3hwk h ALA 215 Ca 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3hwk h ALA 215 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hwk h ALA 215 CO -0.02 -0.06 0.17 0.00 0.00 0.00 0.00 179.25 179.34 3hwk h ALA 216 N 1.40 1.45 -0.12 0.00 0.00 -1.13 -1.06 119.26 119.80 3hwk h ALA 216 Ca 0.32 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3hwk h ALA 216 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hwk h ALA 216 CO -0.25 0.42 -0.63 0.00 0.00 0.00 0.00 179.25 178.79 3hwk h ARG 217 N 0.65 0.42 -0.02 0.00 3.08 0.06 -1.83 114.38 116.74 3hwk h ARG 217 Ca 0.16 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3hwk h ARG 217 Cb 0.14 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hwk h ARG 217 CO -0.01 0.91 0.01 0.28 -1.07 0.00 0.00 179.97 180.09 3hwk h VAL 218 N 0.31 1.14 -0.44 2.04 2.07 -0.20 -0.11 116.25 121.07 3hwk h VAL 218 Ca -0.01 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3hwk h VAL 218 Cb 1.17 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3hwk h VAL 218 CO 0.11 0.11 0.19 0.58 0.02 0.00 0.00 177.57 178.58 3hwk h VAL 219 N -0.14 0.92 -0.22 2.57 2.07 -1.20 -1.35 116.25 118.90 3hwk h VAL 219 Ca 0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3hwk h VAL 219 Cb 0.18 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3hwk h VAL 219 CO -0.00 0.07 0.04 0.74 0.02 0.00 0.00 177.57 178.44 3hwk h THR 220 N 0.38 1.11 0.00 2.57 2.02 -1.20 -3.00 112.91 114.80 3hwk h THR 220 Ca 0.20 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hwk h THR 220 Cb 0.15 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3hwk h THR 220 CO -0.17 0.14 0.00 0.77 0.37 0.00 0.00 175.52 176.63 3hwk h SER 221 N 0.31 0.00 -0.20 4.18 4.64 0.19 0.78 113.55 123.45 3hwk h SER 221 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hwk h SER 221 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hwk h SER 221 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3hwk n THR 222 N -3.03 0.26 -1.15 2.95 -2.24 -1.13 -3.58 114.28 106.34 3hwk n THR 222 Ca -0.02 -0.35 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 3hwk n THR 222 Cb 0.12 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 3hwk n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwk n GLN 223 N 0.30 -0.50 -1.47 -0.78 6.02 0.27 -5.05 117.38 116.17 3hwk n GLN 223 Ca 0.15 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.46 3hwk n GLN 223 Cb 0.30 -4.34 0.12 0.00 1.02 0.00 0.00 30.24 27.35 3hwk n GLN 223 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hwk s SER 224 N -2.74 3.78 0.62 1.08 0.15 -1.24 -5.03 113.70 110.32 3hwk s SER 224 Ca 0.00 1.16 -0.07 0.00 0.70 0.00 0.00 55.95 57.75 3hwk s SER 224 Cb 0.00 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 3hwk s SER 224 CO 0.00 -2.40 0.94 1.51 1.20 0.00 0.00 173.24 174.49 3hwk s ASP 225 N -3.86 5.44 0.33 5.45 -4.77 -1.26 -4.62 116.67 113.38 3hwk s ASP 225 Ca 0.63 0.72 0.03 0.00 -3.30 0.00 0.00 52.55 50.62 3hwk s ASP 225 Cb -0.15 -1.63 0.59 0.00 -1.09 0.00 0.00 42.92 40.63 3hwk s ASP 225 CO 0.54 -1.19 1.92 -0.29 0.70 0.00 0.00 175.17 176.86 3hwk h ILE 226 N -0.30 1.18 -0.34 2.11 2.10 -1.96 -0.63 117.51 119.66 3hwk h ILE 226 Ca -0.45 -0.58 -0.14 0.00 1.08 0.00 0.00 64.86 64.77 3hwk h ILE 226 Cb 1.27 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.60 3hwk h ILE 226 CO 0.61 0.23 -0.36 1.88 -1.08 0.00 0.00 178.15 179.42 3hwk h TYR 227 N 0.69 0.95 -0.70 2.19 0.05 -1.94 0.12 116.97 118.33 3hwk h TYR 227 Ca 0.17 -0.27 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 3hwk h TYR 227 Cb 0.15 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3hwk h TYR 227 CO 0.01 1.04 0.16 0.77 -1.05 0.00 0.00 178.16 179.09 3hwk h SER 228 N 0.66 1.08 -0.09 3.88 0.02 -1.84 -0.01 113.55 117.25 3hwk h SER 228 Ca 0.06 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3hwk h SER 228 Cb 0.92 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3hwk h SER 228 CO 0.08 1.05 0.02 0.00 -1.14 0.00 0.00 176.83 176.84 3hwk h ALA 229 N 1.08 0.12 -0.62 3.77 0.00 -0.79 -1.54 119.26 121.28 3hwk h ALA 229 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hwk h ALA 229 Cb 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hwk h ALA 229 CO 0.01 -0.25 0.33 0.28 0.00 0.00 0.00 179.25 179.62 3hwk h VAL 230 N -0.07 1.20 -0.77 0.00 2.07 -0.69 -1.11 116.25 116.89 3hwk h VAL 230 Ca 0.03 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3hwk h VAL 230 Cb 0.25 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 3hwk h VAL 230 CO 0.00 0.22 0.45 0.74 0.02 0.00 0.00 177.57 179.00 3hwk h THR 231 N 0.84 0.99 0.29 2.57 2.02 -0.96 0.95 112.91 119.62 3hwk h THR 231 Ca 0.22 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3hwk h THR 231 Cb 0.05 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3hwk h THR 231 CO -0.03 0.15 -0.19 1.23 0.37 0.00 0.00 175.52 177.05 3hwk h GLY 232 N 0.82 -0.48 0.31 2.16 0.00 -0.68 -2.17 103.07 103.02 3hwk h GLY 232 Ca 0.34 0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.97 3hwk h GLY 232 CO -0.18 -0.19 0.10 0.00 0.00 0.00 0.00 176.54 176.26 3hwk h ALA 233 N 0.22 0.59 -0.81 3.60 0.00 -0.72 -0.42 119.26 121.72 3hwk h ALA 233 Ca -0.03 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3hwk h ALA 233 Cb 0.40 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3hwk h ALA 233 CO 0.02 -0.31 0.43 0.82 0.00 0.00 0.00 179.25 180.21 3hwk h ILE 234 N 0.23 0.83 -0.19 0.00 2.04 -0.76 0.17 117.51 119.83 3hwk h ILE 234 Ca 0.26 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3hwk h ILE 234 Cb 0.37 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3hwk h ILE 234 CO -0.35 0.13 0.08 1.23 0.00 0.00 0.00 178.15 179.24 3hwk h GLY 235 N 0.69 0.23 1.00 5.37 0.00 -0.46 -2.74 103.07 107.17 3hwk h GLY 235 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hwk h GLY 235 CO -0.30 0.04 0.37 0.00 0.00 0.00 0.00 176.54 176.65 3hwk h ALA 236 N 1.10 0.74 0.00 3.60 0.00 -0.09 -3.06 119.26 121.56 3hwk h ALA 236 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hwk h ALA 236 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hwk h ALA 236 CO -0.07 0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.56 3hwk h LEU 237 N 0.79 0.00 -1.76 0.00 5.85 -0.56 -3.02 115.31 116.60 3hwk h LEU 237 Ca 0.21 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3hwk h LEU 237 Cb -0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3hwk h LEU 237 CO -0.04 0.08 -0.12 0.50 -0.34 0.00 0.00 178.44 178.51 3hwk h LYS 238 N 0.00 0.00 -6.94 1.25 3.64 -1.38 -1.52 116.57 111.63 3hwk h LYS 238 Ca -0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 3hwk h LYS 238 Cb 0.22 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.14 3hwk h LYS 238 CO 0.01 0.12 0.74 0.20 -2.27 0.00 0.00 179.45 178.26 3hwk s GLY 239 N -4.15 2.95 0.55 5.01 0.00 -1.14 -3.77 107.32 106.77 3hwk s GLY 239 Ca -0.04 1.50 0.25 0.00 0.00 0.00 0.00 44.72 46.43 3hwk s GLY 239 CO 0.68 2.17 2.04 3.21 0.00 0.00 0.00 173.10 181.20 3hwk h ARG 240 N 3.01 0.00 0.00 2.90 3.08 -1.87 0.39 114.38 121.90 3hwk h ARG 240 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3hwk h ARG 240 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hwk h ARG 240 CO 0.64 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.82 3hwk n LEU 241 N -4.22 0.00 0.00 3.04 4.77 -1.26 -3.43 117.00 115.90 3hwk n LEU 241 Ca 0.06 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3hwk n LEU 241 Cb 0.46 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hwk n LEU 241 CO 0.34 -0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.96 3hwk n HIS 242 N -1.16 0.00 0.36 -1.77 -0.00 0.00 -4.99 115.22 107.66 3hwk n HIS 242 Ca 0.19 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.51 3hwk n HIS 242 Cb 0.18 0.00 0.56 0.00 -0.12 0.00 0.00 29.99 30.61 3hwk n HIS 242 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3hwk h GLY 243 N 0.00 0.00 1.71 1.57 0.00 -1.21 -2.92 103.07 102.22 3hwk h GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hwk h GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3hwk n GLY 244 N 0.06 -0.83 0.29 4.60 0.00 -0.44 -3.34 105.19 105.53 3hwk n GLY 244 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3hwk n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwk h ALA 245 N 2.62 0.81 -0.79 4.61 0.00 -1.53 -1.91 119.26 123.06 3hwk h ALA 245 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.70 3hwk h ALA 245 Cb 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3hwk h ALA 245 CO 0.00 0.59 0.46 -2.95 0.00 0.00 0.00 179.25 177.36 3hwk h ASN 246 N 0.93 0.69 -0.34 0.00 7.08 -1.78 0.89 115.58 123.04 3hwk h ASN 246 Ca 0.18 0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 53.41 3hwk h ASN 246 Cb 0.48 -0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 36.59 3hwk h ASN 246 CO 0.02 0.43 0.13 -0.08 -2.08 0.00 0.00 177.43 175.85 3hwk h GLU 247 N 0.82 0.52 -0.40 4.14 4.81 -1.73 -3.12 114.58 119.63 3hwk h GLU 247 Ca 0.36 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3hwk h GLU 247 Cb 0.24 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3hwk h GLU 247 CO -0.20 0.52 -0.15 0.00 -0.73 0.00 0.00 179.01 178.45 3hwk h ALA 248 N 0.97 0.99 -0.31 2.92 0.00 -0.62 -1.77 119.26 121.44 3hwk h ALA 248 Ca 0.11 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hwk h ALA 248 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3hwk h ALA 248 CO -0.01 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.19 3hwk h VAL 249 N 0.66 0.86 -0.18 0.00 2.07 -0.81 0.14 116.25 118.99 3hwk h VAL 249 Ca 0.11 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3hwk h VAL 249 Cb 0.63 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3hwk h VAL 249 CO 0.04 0.03 -0.41 -0.03 0.02 0.00 0.00 177.57 177.22 3hwk h MET 250 N 0.18 0.42 -0.63 1.57 -1.53 -1.44 -0.42 114.93 113.09 3hwk h MET 250 Ca 0.14 -0.21 -0.03 0.00 -3.44 0.00 0.00 59.70 56.16 3hwk h MET 250 Cb 0.15 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 3hwk h MET 250 CO -0.18 0.77 0.27 0.45 0.14 0.00 0.00 176.91 178.36 3hwk h HIS 251 N 0.35 0.93 -0.02 1.39 3.86 -0.84 -0.41 115.15 120.42 3hwk h HIS 251 Ca 0.03 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hwk h HIS 251 Cb 0.88 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 3hwk h HIS 251 CO 0.03 0.72 -0.07 -0.44 0.86 0.00 0.00 177.93 179.03 3hwk h ASP 252 N 0.87 -0.19 -0.88 2.45 3.32 -0.21 -2.19 116.42 119.59 3hwk h ASP 252 Ca 0.21 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3hwk h ASP 252 Cb 0.16 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3hwk h ASP 252 CO -0.02 -0.10 0.50 0.24 -1.72 0.00 0.00 179.24 178.14 3hwk h MET 253 N -0.11 1.21 -0.90 3.56 2.86 -0.96 0.11 114.93 120.71 3hwk h MET 253 Ca 0.03 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3hwk h MET 253 Cb 0.15 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3hwk h MET 253 CO -0.08 0.88 0.57 0.82 1.06 0.00 0.00 176.91 180.16 3hwk h ILE 254 N 1.22 1.24 0.00 -1.22 2.04 -0.88 0.95 117.51 120.85 3hwk h ILE 254 Ca 0.31 -0.47 -0.15 0.00 1.00 0.00 0.00 64.86 65.55 3hwk h ILE 254 Cb 0.01 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 3hwk h ILE 254 CO -0.05 0.24 -0.99 1.05 0.00 0.00 0.00 178.15 178.40 3hwk h GLU 255 N 1.23 0.00 -0.04 2.37 4.11 -0.94 -3.09 114.58 118.21 3hwk h GLU 255 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 3hwk h GLU 255 Cb -0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3hwk h GLU 255 CO -0.07 0.48 0.02 0.82 0.07 0.00 0.00 179.01 180.33 3hwk h ILE 256 N 0.00 1.04 0.00 -1.06 2.04 -0.58 -3.46 117.51 115.49 3hwk h ILE 256 Ca -0.08 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3hwk h ILE 256 Cb 1.54 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3hwk h ILE 256 CO 0.07 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.86 3hwk n GLY 257 N -1.01 1.52 3.21 5.37 0.00 0.31 -4.72 105.19 109.87 3hwk n GLY 257 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3hwk n GLY 257 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwk s ASP 258 N 0.00 -0.39 0.38 1.61 2.15 -1.26 -5.03 116.67 114.14 3hwk s ASP 258 Ca 0.00 0.72 0.23 0.00 0.43 0.00 0.00 52.55 53.93 3hwk s ASP 258 Cb 0.00 0.67 1.26 0.00 -0.30 0.00 0.00 42.92 44.55 3hwk s ASP 258 CO 0.00 -0.15 1.69 1.55 -0.17 0.00 0.00 175.17 178.09 3hwk h PRO 259 N 6.32 0.00 0.01 4.34 0.13 -1.88 -1.59 132.00 139.33 3hwk h PRO 259 Ca -0.32 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.58 3hwk h PRO 259 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hwk h PRO 259 CO 0.31 0.00 -0.97 0.00 -0.23 0.00 0.00 178.00 177.11 3hwk h ALA 260 N 1.79 0.33 0.00 -0.56 0.00 -1.96 -3.13 119.26 115.74 3hwk h ALA 260 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3hwk h ALA 260 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hwk h ALA 260 CO 0.00 0.82 0.00 0.09 0.00 0.00 0.00 179.25 180.16 3hwk n ASN 261 N -3.74 0.21 0.43 0.00 4.13 -0.60 -4.39 115.26 111.30 3hwk n ASN 261 Ca -0.07 0.53 -0.20 0.00 1.68 0.00 0.00 54.58 56.53 3hwk n ASN 261 Cb 0.85 -0.58 -0.10 0.00 -1.54 0.00 0.00 39.78 38.41 3hwk n ASN 261 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hwk h ALA 262 N 2.66 -1.24 -0.77 5.41 0.00 -1.59 -0.38 119.26 123.35 3hwk h ALA 262 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hwk h ALA 262 Cb 0.43 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3hwk h ALA 262 CO 0.00 -1.21 0.51 0.07 0.00 0.00 0.00 179.25 178.61 3hwk h ARG 263 N -1.19 0.55 0.02 0.00 0.11 -1.79 -1.46 114.38 110.62 3hwk h ARG 263 Ca -0.11 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.85 3hwk h ARG 263 Cb 0.95 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.92 3hwk h ARG 263 CO 0.11 0.36 -0.36 1.49 0.10 0.00 0.00 179.97 181.67 3hwk h GLU 264 N 0.57 0.20 -0.66 0.08 4.57 -1.81 -3.14 114.58 114.39 3hwk h GLU 264 Ca 0.37 -0.25 0.13 0.00 -1.18 0.00 0.00 59.36 58.43 3hwk h GLU 264 Cb 0.65 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.23 3hwk h GLU 264 CO -0.14 1.01 0.14 2.35 -1.18 0.00 0.00 179.01 181.20 3hwk h TRP 265 N -0.49 0.22 -0.36 0.92 7.01 -0.42 -2.19 115.95 120.63 3hwk h TRP 265 Ca -0.05 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 3hwk h TRP 265 Cb 1.16 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 3hwk h TRP 265 CO 0.19 -0.06 0.16 1.25 -2.79 0.00 0.00 178.44 177.20 3hwk h LEU 266 N 0.26 0.48 -0.68 0.65 5.85 -1.40 -2.81 115.31 117.66 3hwk h LEU 266 Ca 0.36 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3hwk h LEU 266 Cb 0.57 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3hwk h LEU 266 CO -0.46 0.49 0.34 0.03 -0.34 0.00 0.00 178.44 178.50 3hwk h ARG 267 N 0.45 0.98 -0.81 1.25 3.08 -1.36 -0.28 114.38 117.68 3hwk h ARG 267 Ca 0.12 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hwk h ARG 267 Cb 0.14 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3hwk h ARG 267 CO -0.01 0.76 0.45 0.00 -1.07 0.00 0.00 179.97 180.10 3hwk h ALA 268 N 1.16 1.26 -0.16 0.04 0.00 -1.41 -0.08 119.26 120.07 3hwk h ALA 268 Ca 0.23 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 268 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hwk h ALA 268 CO -0.03 0.60 -0.58 1.57 0.00 0.00 0.00 179.25 180.82 3hwk h LYS 269 N 1.13 0.52 -0.12 0.00 -0.00 -1.14 -1.72 116.57 115.24 3hwk h LYS 269 Ca 0.29 -0.34 -0.12 0.00 -0.00 0.00 0.00 60.65 60.48 3hwk h LYS 269 Cb 0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 32.28 3hwk h LYS 269 CO -0.05 0.95 -0.44 -0.07 -0.00 0.00 0.00 179.45 179.84 3hwk h LEU 270 N 0.39 0.30 -0.56 7.07 3.38 -0.89 0.27 115.31 125.29 3hwk h LEU 270 Ca 0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3hwk h LEU 270 Cb 1.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3hwk h LEU 270 CO 0.11 0.71 0.06 0.00 0.09 0.00 0.00 178.44 179.41 3hwk h ALA 271 N 1.30 0.74 0.00 1.53 0.00 -0.77 -1.48 119.26 120.58 3hwk h ALA 271 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hwk h ALA 271 Cb 0.88 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hwk h ALA 271 CO 0.07 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.37 3hwk n ARG 272 N -4.32 0.60 -3.80 0.00 1.74 -0.67 -4.90 116.66 105.32 3hwk n ARG 272 Ca 0.02 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.87 3hwk n ARG 272 Cb 0.29 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3hwk n ARG 272 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3hwk n LYS 273 N -1.09 -5.16 -3.26 5.56 -0.00 -0.56 -5.01 118.16 108.65 3hwk n LYS 273 Ca 0.15 0.61 -0.33 0.00 -0.00 0.00 0.00 58.31 58.74 3hwk n LYS 273 Cb 0.11 -5.29 -0.06 0.00 -0.00 0.00 0.00 35.03 29.79 3hwk n LYS 273 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3hwk s GLU 274 N -6.27 3.96 0.11 -1.58 2.02 0.05 -5.02 118.70 111.98 3hwk s GLU 274 Ca 0.28 0.54 -0.31 0.00 0.02 0.00 0.00 54.97 55.50 3hwk s GLU 274 Cb -0.14 -2.63 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 3hwk s GLU 274 CO 0.82 0.29 1.30 -1.59 0.02 0.00 0.00 175.26 176.10 3hwk s LYS 275 N -2.64 4.38 -0.31 1.61 0.00 -1.26 -4.67 119.74 116.85 3hwk s LYS 275 Ca 0.48 1.95 -0.17 0.00 0.00 0.00 0.00 55.97 58.23 3hwk s LYS 275 Cb -0.12 -3.28 -0.02 0.00 0.00 0.00 0.00 37.83 34.41 3hwk s LYS 275 CO 0.19 -0.34 0.47 0.42 0.00 0.00 0.00 175.35 176.10 3hwk s ILE 276 N 0.93 5.08 0.29 3.79 -1.09 -1.26 -5.05 121.20 123.89 3hwk s ILE 276 Ca 0.61 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 59.26 3hwk s ILE 276 Cb -0.34 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 3hwk s ILE 276 CO 0.31 -0.04 1.09 -0.04 -1.23 0.00 0.00 174.94 175.03 3hwk s MET 277 N 2.27 4.60 0.00 2.79 -1.94 -1.26 -2.83 119.30 122.94 3hwk s MET 277 Ca 0.18 1.77 0.00 0.00 -1.71 0.00 0.00 55.69 55.93 3hwk s MET 277 Cb -0.16 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.55 3hwk s MET 277 CO 0.11 0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.72 3hwk n GLY 278 N 1.13 0.61 2.77 -0.03 0.00 -1.26 -4.80 105.19 103.61 3hwk n GLY 278 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 3hwk n GLY 278 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwk s PHE 279 N -2.28 0.02 0.00 1.61 0.40 -1.13 0.27 117.98 116.87 3hwk s PHE 279 Ca 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 3hwk s PHE 279 Cb 0.00 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.28 3hwk s PHE 279 CO 0.00 -0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.23 3hwk n GLY 280 N 4.26 3.22 3.05 4.36 0.00 -1.26 -4.63 105.19 114.18 3hwk n GLY 280 Ca -0.26 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 3hwk n GLY 280 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwk s HIS 281 N 0.00 -0.25 0.43 1.61 2.46 -1.26 -4.91 115.29 113.36 3hwk s HIS 281 Ca 0.00 0.62 0.14 0.00 0.47 0.00 0.00 55.06 56.28 3hwk s HIS 281 Cb 0.00 0.04 0.92 0.00 -0.13 0.00 0.00 32.58 33.42 3hwk s HIS 281 CO 0.00 -0.16 1.95 -0.09 -2.47 0.00 0.00 174.74 173.97 3hwk h ARG 282 N 6.52 0.02 0.00 2.88 9.65 -2.01 -3.37 114.38 128.07 3hwk h ARG 282 Ca -0.33 -0.01 -0.26 0.00 -1.10 0.00 0.00 59.98 58.28 3hwk h ARG 282 Cb 1.17 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.71 3hwk h ARG 282 CO 0.39 0.24 -1.83 0.28 2.80 0.00 0.00 179.97 181.84 3hwk n VAL 283 N -4.27 1.45 -2.24 0.20 0.31 -1.26 -4.98 118.33 107.54 3hwk n VAL 283 Ca -0.02 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 3hwk n VAL 283 Cb 0.28 -2.04 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 3hwk n VAL 283 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3hwk s TYR 284 N -2.63 2.72 -0.16 3.52 2.02 -1.26 -4.91 117.35 116.64 3hwk s TYR 284 Ca -0.33 0.78 0.06 0.00 -0.37 0.00 0.00 57.07 57.21 3hwk s TYR 284 Cb 0.10 -3.66 -0.14 0.00 -0.40 0.00 0.00 41.96 37.86 3hwk s TYR 284 CO 0.44 -2.46 -0.08 0.54 -1.57 0.00 0.00 175.55 172.42 3hwk n ARG 285 N 5.93 0.96 -1.04 -0.62 5.12 -1.26 -4.59 116.66 121.16 3hwk n ARG 285 Ca 0.14 0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 56.10 3hwk n ARG 285 Cb 0.44 -1.36 0.15 0.00 -1.16 0.00 0.00 32.46 30.53 3hwk n ARG 285 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hwk n HIS 286 N -2.82 0.73 0.00 -1.55 -0.00 -1.26 -4.89 115.22 105.43 3hwk n HIS 286 Ca -0.28 -1.65 0.00 0.00 -0.00 0.00 0.00 57.72 55.78 3hwk n HIS 286 Cb 0.89 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 3hwk n HIS 286 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hwk n GLY 287 N -0.94 3.07 3.63 -1.41 0.00 -1.26 -5.02 105.19 103.25 3hwk n GLY 287 Ca 0.25 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3hwk n GLY 287 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwk s ASP 288 N 0.00 6.83 0.00 1.61 -1.08 -1.26 -4.85 116.67 117.91 3hwk s ASP 288 Ca 0.00 0.94 0.19 0.00 -0.52 0.00 0.00 52.55 53.16 3hwk s ASP 288 Cb 0.00 -2.46 1.09 0.00 -1.46 0.00 0.00 42.92 40.09 3hwk s ASP 288 CO 0.00 -0.66 1.51 -1.54 0.52 0.00 0.00 175.17 175.01 3hwk n SER 289 N 6.32 0.00 -0.00 -0.34 3.41 -1.26 -1.32 113.62 120.42 3hwk n SER 289 Ca 0.07 -0.51 0.09 0.00 -0.26 0.00 0.00 58.87 58.26 3hwk n SER 289 Cb 0.47 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 3hwk n SER 289 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hwk n ARG 290 N -1.03 0.64 -0.17 4.33 1.74 -1.26 -4.62 116.66 116.28 3hwk n ARG 290 Ca 0.13 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 3hwk n ARG 290 Cb 0.07 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.09 3hwk n ARG 290 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hwk h VAL 291 N 0.00 1.25 0.07 1.55 2.07 -1.57 -3.03 116.25 116.59 3hwk h VAL 291 Ca 0.00 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3hwk h VAL 291 Cb 0.60 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3hwk h VAL 291 CO 0.00 0.35 -0.22 -0.65 0.02 0.00 0.00 177.57 177.07 3hwk h PRO 292 N 0.72 -0.37 -0.58 1.57 0.11 -1.82 0.14 132.00 131.77 3hwk h PRO 292 Ca 0.15 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.40 3hwk h PRO 292 Cb 0.44 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 31.54 3hwk h PRO 292 CO 0.01 -0.25 0.02 1.15 -0.21 0.00 0.00 178.00 178.73 3hwk h THR 293 N -0.39 0.55 -0.06 -1.15 2.02 -1.87 -1.63 112.91 110.39 3hwk h THR 293 Ca 0.04 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 3hwk h THR 293 Cb 0.43 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3hwk h THR 293 CO -0.15 0.03 -0.61 -0.03 0.37 0.00 0.00 175.52 175.12 3hwk h MET 294 N 0.14 0.20 -0.24 6.66 -1.53 -1.30 -1.42 114.93 117.45 3hwk h MET 294 Ca 0.30 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 56.42 3hwk h MET 294 Cb 0.47 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.53 3hwk h MET 294 CO -0.47 0.75 0.16 0.87 0.14 0.00 0.00 176.91 178.35 3hwk h LYS 295 N 0.15 0.32 -0.52 0.39 1.57 -0.33 0.17 116.57 118.32 3hwk h LYS 295 Ca -0.01 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3hwk h LYS 295 Cb 1.11 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 3hwk h LYS 295 CO 0.09 0.23 0.20 0.00 -0.57 0.00 0.00 179.45 179.40 3hwk h ARG 296 N 0.32 0.38 -0.79 3.15 3.08 -1.06 -1.70 114.38 117.76 3hwk h ARG 296 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3hwk h ARG 296 Cb -0.02 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3hwk h ARG 296 CO -0.02 0.25 0.41 0.00 -1.07 0.00 0.00 179.97 179.54 3hwk h ALA 297 N 1.33 1.01 -0.52 0.04 0.00 -0.82 -2.04 119.26 118.26 3hwk h ALA 297 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hwk h ALA 297 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hwk h ALA 297 CO -0.24 0.54 0.34 1.25 0.00 0.00 0.00 179.25 181.15 3hwk h LEU 298 N 1.10 0.59 -0.86 0.00 5.85 -0.25 -2.12 115.31 119.62 3hwk h LEU 298 Ca 0.27 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3hwk h LEU 298 Cb 0.07 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3hwk h LEU 298 CO -0.04 0.43 0.24 -0.33 -0.34 0.00 0.00 178.44 178.39 3hwk h GLU 299 N 0.70 1.08 -0.81 1.25 5.08 -1.07 0.15 114.58 120.96 3hwk h GLU 299 Ca 0.19 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hwk h GLU 299 Cb -0.07 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 3hwk h GLU 299 CO -0.05 0.91 0.46 0.00 -1.00 0.00 0.00 179.01 179.33 3hwk h ARG 300 N 1.05 1.12 -0.28 2.33 3.08 -1.06 -1.52 114.38 119.09 3hwk h ARG 300 Ca 0.23 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 3hwk h ARG 300 Cb 0.27 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hwk h ARG 300 CO -0.01 0.81 -0.40 0.28 -1.07 0.00 0.00 179.97 179.59 3hwk h VAL 301 N 1.12 1.29 -0.67 2.04 2.07 -1.09 -3.24 116.25 117.77 3hwk h VAL 301 Ca 0.29 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.28 3hwk h VAL 301 Cb 0.01 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3hwk h VAL 301 CO -0.05 0.50 0.40 1.23 0.02 0.00 0.00 177.57 179.67 3hwk h GLY 302 N 0.99 0.97 2.00 2.17 0.00 -0.09 0.14 103.07 109.26 3hwk h GLY 302 Ca 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3hwk h GLY 302 CO 0.08 0.22 -0.18 -0.91 0.00 0.00 0.00 176.54 175.75 3hwk h THR 303 N 0.77 0.59 0.00 4.70 1.35 -1.33 -1.69 112.91 117.30 3hwk h THR 303 Ca 0.28 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3hwk h THR 303 Cb 0.09 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3hwk h THR 303 CO -0.14 0.18 -1.18 0.52 -0.25 0.00 0.00 175.52 174.65 3hwk n VAL 304 N -3.54 0.00 -1.37 6.82 0.31 -0.95 -4.56 118.33 115.04 3hwk n VAL 304 Ca -0.01 -0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.14 3hwk n VAL 304 Cb 0.34 0.59 0.10 0.00 -0.91 0.00 0.00 33.84 33.96 3hwk n VAL 304 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hwk n ARG 305 N -1.68 0.88 -3.28 5.55 5.12 0.46 -5.02 116.66 118.69 3hwk n ARG 305 Ca 0.00 -2.09 -0.16 0.00 -1.93 0.00 0.00 57.85 53.68 3hwk n ARG 305 Cb 0.31 -1.18 0.07 0.00 -1.16 0.00 0.00 32.46 30.50 3hwk n ARG 305 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3hwk n ASP 306 N -0.98 -6.16 -0.96 0.55 2.03 -0.97 -4.95 116.55 105.11 3hwk n ASP 306 Ca 0.11 -0.71 -0.01 0.00 0.52 0.00 0.00 54.79 54.70 3hwk n ASP 306 Cb 0.66 -5.14 0.20 0.00 -0.72 0.00 0.00 41.12 36.12 3hwk n ASP 306 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hwk n GLY 307 N -1.24 5.00 0.29 0.27 0.00 -0.68 -4.72 105.19 104.12 3hwk n GLY 307 Ca -0.09 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 3hwk n GLY 307 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hwk h GLN 308 N 1.00 1.02 -0.87 1.61 5.75 -1.93 -1.90 115.11 119.79 3hwk h GLN 308 Ca 0.14 -0.37 0.23 0.00 -0.15 0.00 0.00 58.65 58.50 3hwk h GLN 308 Cb 1.42 -0.07 -0.14 0.00 1.07 0.00 0.00 27.48 29.75 3hwk h GLN 308 CO 0.25 1.06 0.21 -0.09 -2.65 0.00 0.00 178.83 177.60 3hwk h ARG 309 N 0.90 0.18 0.06 1.69 2.43 -1.99 0.97 114.38 118.63 3hwk h ARG 309 Ca 0.14 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 59.02 3hwk h ARG 309 Cb 0.65 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3hwk h ARG 309 CO 0.04 0.12 -1.51 -1.49 -1.51 0.00 0.00 179.97 175.62 3hwk h TRP 310 N 0.19 0.25 0.00 2.20 4.06 -1.85 -1.94 115.95 118.86 3hwk h TRP 310 Ca 0.54 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 61.30 3hwk h TRP 310 Cb 1.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 3hwk h TRP 310 CO -0.29 1.24 -0.08 -0.07 -3.56 0.00 0.00 178.44 175.68 3hwk h LEU 311 N 0.04 0.00 0.05 -4.49 3.38 -0.87 -1.17 115.31 112.24 3hwk h LEU 311 Ca -0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hwk h LEU 311 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3hwk h LEU 311 CO 0.13 0.08 -0.02 0.44 0.09 0.00 0.00 178.44 179.15 3hwk h ASP 312 N 0.00 -0.05 -1.07 -0.43 3.32 -0.74 -2.77 116.42 114.68 3hwk h ASP 312 Ca -0.00 -0.18 0.29 0.00 0.02 0.00 0.00 57.03 57.16 3hwk h ASP 312 Cb 0.17 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.64 3hwk h ASP 312 CO 0.01 0.52 0.69 0.40 -1.72 0.00 0.00 179.24 179.14 3hwk h ILE 313 N -1.01 0.47 0.00 0.35 2.04 -1.35 -2.11 117.51 115.91 3hwk h ILE 313 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3hwk h ILE 313 Cb 0.22 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3hwk h ILE 313 CO 0.01 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3hwk n TYR 314 N -4.63 0.00 -0.33 1.37 4.19 -0.44 -1.16 117.16 116.15 3hwk n TYR 314 Ca 0.27 0.00 0.16 0.00 3.31 0.00 0.00 57.90 61.64 3hwk n TYR 314 Cb 0.95 -0.50 0.32 0.00 0.49 0.00 0.00 39.34 40.60 3hwk n TYR 314 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 3hwk h GLN 315 N 0.00 0.04 0.16 2.98 4.15 -1.10 -0.22 115.11 121.12 3hwk h GLN 315 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hwk h GLN 315 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3hwk h GLN 315 CO 0.00 0.03 -0.08 0.28 -1.93 0.00 0.00 178.83 177.13 3hwk h VAL 316 N 0.04 0.79 -0.71 2.39 2.07 -1.43 -2.02 116.25 117.37 3hwk h VAL 316 Ca 0.62 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 67.05 3hwk h VAL 316 Cb 1.32 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3hwk h VAL 316 CO -0.86 0.21 0.47 0.25 0.02 0.00 0.00 177.57 177.66 3hwk h LEU 317 N -0.90 0.62 0.04 2.57 5.85 -0.67 0.75 115.31 123.57 3hwk h LEU 317 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hwk h LEU 317 Cb 0.51 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3hwk h LEU 317 CO 0.04 0.39 -0.02 0.00 -0.34 0.00 0.00 178.44 178.51 3hwk h ALA 318 N 1.62 -0.06 -0.40 1.25 0.00 -1.11 -2.06 119.26 118.51 3hwk h ALA 318 Ca 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hwk h ALA 318 Cb 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hwk h ALA 318 CO -0.10 -0.34 0.15 0.00 0.00 0.00 0.00 179.25 178.96 3hwk h ALA 319 N 0.50 0.52 0.00 0.00 0.00 -0.83 -0.94 119.26 118.51 3hwk h ALA 319 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 319 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hwk h ALA 319 CO 0.01 0.13 -0.11 1.05 0.00 0.00 0.00 179.25 180.33 3hwk h GLU 320 N 0.50 0.00 0.23 0.00 4.11 -0.94 -1.51 114.58 116.96 3hwk h GLU 320 Ca 0.13 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.23 3hwk h GLU 320 Cb 0.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.48 3hwk h GLU 320 CO -0.01 0.11 -1.48 0.52 0.07 0.00 0.00 179.01 178.22 3hwk h MET 321 N 0.00 0.48 -0.27 1.06 2.86 -0.99 -2.81 114.93 115.26 3hwk h MET 321 Ca -0.00 -0.82 0.03 0.00 -2.06 0.00 0.00 59.70 56.85 3hwk h MET 321 Cb 0.42 0.31 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3hwk h MET 321 CO 0.01 1.39 0.09 0.00 1.06 0.00 0.00 176.91 179.46 3hwk h ALA 322 N 0.23 0.30 0.57 6.32 0.00 -0.78 -1.33 119.26 124.57 3hwk h ALA 322 Ca -0.25 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hwk h ALA 322 Cb 2.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 3hwk h ALA 322 CO 0.25 -0.32 -0.35 0.77 0.00 0.00 0.00 179.25 179.60 3hwk h SER 323 N 0.21 -0.89 -0.53 0.00 0.02 -1.40 -0.19 113.55 110.77 3hwk h SER 323 Ca 0.12 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3hwk h SER 323 Cb 0.09 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3hwk h SER 323 CO -0.13 -0.54 -0.07 0.00 -1.14 0.00 0.00 176.83 174.95 3hwk h ALA 324 N -1.39 0.83 0.00 3.77 0.00 -1.51 -3.38 119.26 117.58 3hwk h ALA 324 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hwk h ALA 324 Cb 0.70 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hwk h ALA 324 CO 0.08 0.66 -1.00 0.25 0.00 0.00 0.00 179.25 179.24 3hwk n THR 325 N -4.16 0.00 -0.12 0.00 -2.24 -0.56 -5.03 114.28 102.17 3hwk n THR 325 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3hwk n THR 325 Cb 0.38 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3hwk n THR 325 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwk n GLY 326 N 2.86 1.69 3.73 3.38 0.00 -0.08 -5.02 105.19 111.75 3hwk n GLY 326 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hwk n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwk s ILE 327 N -2.75 4.32 0.24 -0.61 1.01 -1.25 -4.86 121.20 117.30 3hwk s ILE 327 Ca 0.00 1.94 -0.01 0.00 0.00 0.00 0.00 60.65 62.59 3hwk s ILE 327 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3hwk s ILE 327 CO 0.00 0.31 0.44 -0.76 0.00 0.00 0.00 174.94 174.92 3hwk s LEU 328 N -0.10 4.18 0.29 2.97 1.43 -1.26 -4.11 118.68 122.07 3hwk s LEU 328 Ca 0.48 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 3hwk s LEU 328 Cb -0.25 -3.22 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 3hwk s LEU 328 CO 0.31 -0.11 1.31 -0.81 0.23 0.00 0.00 176.35 177.29 3hwk n PRO 329 N -0.93 1.98 -2.94 1.29 -0.04 -1.26 -4.16 135.00 128.94 3hwk n PRO 329 Ca -0.05 0.70 -0.18 0.00 -0.04 0.00 0.00 63.50 63.93 3hwk n PRO 329 Cb 0.54 -2.29 0.03 0.00 -0.04 0.00 0.00 33.50 31.74 3hwk n PRO 329 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hwk s ASN 330 N -0.06 5.47 0.39 3.54 2.20 0.14 -4.06 114.94 122.56 3hwk s ASN 330 Ca 0.62 -0.42 0.15 0.00 -0.94 0.00 0.00 52.86 52.27 3hwk s ASN 330 Cb -0.63 -0.53 1.01 0.00 -2.00 0.00 0.00 41.25 39.11 3hwk s ASN 330 CO 0.56 -0.95 1.81 0.25 -2.94 0.00 0.00 177.10 175.83 3hwk h LEU 331 N 0.44 0.51 -2.64 3.54 5.85 -1.92 -0.21 115.31 120.88 3hwk h LEU 331 Ca -0.39 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hwk h LEU 331 Cb 1.28 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hwk h LEU 331 CO 0.45 0.16 -0.01 0.44 -0.34 0.00 0.00 178.44 179.14 3hwk h ASP 332 N 0.48 0.00 0.22 1.25 3.32 -1.96 -2.95 116.42 116.79 3hwk h ASP 332 Ca 0.54 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 3hwk h ASP 332 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hwk h ASP 332 CO -0.27 0.01 -0.11 0.15 -1.72 0.00 0.00 179.24 177.31 3hwk h PHE 333 N 0.00 -0.27 0.00 4.55 3.57 -1.24 -2.61 116.94 120.94 3hwk h PHE 333 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hwk h PHE 333 Cb 0.06 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3hwk h PHE 333 CO 0.00 0.11 -0.07 -1.00 -2.23 0.00 0.00 178.31 175.12 3hwk h PRO 334 N -0.89 0.00 -0.31 6.41 0.13 -1.73 -3.32 132.00 132.29 3hwk h PRO 334 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 3hwk h PRO 334 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3hwk h PRO 334 CO 0.05 0.07 -0.04 1.15 -0.23 0.00 0.00 178.00 179.00 3hwk h THR 335 N 0.00 1.27 0.07 1.56 2.02 -1.42 -3.00 112.91 113.41 3hwk h THR 335 Ca -0.00 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3hwk h THR 335 Cb 0.54 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3hwk h THR 335 CO 0.01 0.34 -0.29 1.23 0.37 0.00 0.00 175.52 177.18 3hwk h GLY 336 N 0.35 -0.51 1.62 2.16 0.00 -1.57 -1.17 103.07 103.95 3hwk h GLY 336 Ca 0.08 0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 3hwk h GLY 336 CO 0.02 -0.23 0.03 -0.56 0.00 0.00 0.00 176.54 175.80 3hwk h PRO 337 N -0.48 0.48 0.48 4.80 0.13 -1.75 -1.55 132.00 134.12 3hwk h PRO 337 Ca 0.04 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3hwk h PRO 337 Cb 0.53 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3hwk h PRO 337 CO -0.20 0.49 -0.24 0.00 -0.23 0.00 0.00 178.00 177.82 3hwk h ALA 338 N 1.57 -0.67 -0.84 -0.56 0.00 -1.32 0.03 119.26 117.47 3hwk h ALA 338 Ca 0.11 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3hwk h ALA 338 Cb 0.27 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3hwk h ALA 338 CO 0.00 -0.88 0.48 1.88 0.00 0.00 0.00 179.25 180.73 3hwk h TYR 339 N -0.67 0.86 -0.64 0.00 -1.99 -1.15 0.18 116.97 113.56 3hwk h TYR 339 Ca -0.06 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.71 3hwk h TYR 339 Cb 0.52 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 3hwk h TYR 339 CO -0.05 0.32 0.42 -0.92 -0.00 0.00 0.00 178.16 177.93 3hwk h TYR 340 N 0.77 0.79 -0.01 4.88 3.20 -1.02 -2.25 116.97 123.32 3hwk h TYR 340 Ca 0.42 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.14 3hwk h TYR 340 Cb 0.43 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3hwk h TYR 340 CO -0.06 0.49 -0.75 -0.07 -1.64 0.00 0.00 178.16 176.13 3hwk h LEU 341 N 0.84 0.11 -2.19 2.82 3.38 -0.02 -2.99 115.31 117.26 3hwk h LEU 341 Ca 0.24 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hwk h LEU 341 Cb -0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hwk h LEU 341 CO -0.06 0.81 -0.01 0.24 0.09 0.00 0.00 178.44 179.51 3hwk h MET 342 N 0.06 0.00 0.00 1.13 2.86 -0.33 -3.46 114.93 115.18 3hwk h MET 342 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hwk h MET 342 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 3hwk h MET 342 CO 0.10 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.49 3hwk n GLY 343 N -0.52 1.52 3.77 8.32 0.00 -1.08 -5.09 105.19 112.11 3hwk n GLY 343 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3hwk n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwk s PHE 344 N -2.02 3.17 0.25 1.61 0.08 -0.88 -4.99 117.98 115.21 3hwk s PHE 344 Ca 0.00 1.52 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 3hwk s PHE 344 Cb 0.00 -3.51 -0.09 0.00 -0.57 0.00 0.00 43.02 38.85 3hwk s PHE 344 CO 0.00 -1.41 1.29 0.34 -0.10 0.00 0.00 175.22 175.34 3hwk s ASP 345 N -0.77 6.88 0.24 1.36 2.15 -1.26 -4.48 116.67 120.80 3hwk s ASP 345 Ca 0.50 2.50 -0.04 0.00 0.43 0.00 0.00 52.55 55.94 3hwk s ASP 345 Cb -0.35 -2.63 0.44 0.00 -0.30 0.00 0.00 42.92 40.08 3hwk s ASP 345 CO 0.46 -0.49 1.75 0.40 -0.17 0.00 0.00 175.17 177.11 3hwk h ILE 346 N 3.42 0.72 0.00 4.11 2.04 -1.95 -0.82 117.51 125.03 3hwk h ILE 346 Ca -0.46 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3hwk h ILE 346 Cb 1.22 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3hwk h ILE 346 CO 0.72 0.09 -0.06 0.00 0.00 0.00 0.00 178.15 178.91 3hwk h ALA 347 N 1.52 1.36 -0.01 1.87 0.00 -1.95 -2.22 119.26 119.83 3hwk h ALA 347 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3hwk h ALA 347 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hwk h ALA 347 CO -0.36 0.07 -0.04 0.43 0.00 0.00 0.00 179.25 179.35 3hwk n SER 348 N -3.67 0.60 -0.20 0.00 7.64 -0.32 -4.46 113.62 113.22 3hwk n SER 348 Ca -0.02 -0.96 -0.06 0.00 1.01 0.00 0.00 58.87 58.83 3hwk n SER 348 Cb 0.16 -0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.37 3hwk n SER 348 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3hwk h PHE 349 N 0.88 0.70 -0.27 1.43 -1.00 -1.41 -2.17 116.94 115.10 3hwk h PHE 349 Ca 0.00 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.64 3hwk h PHE 349 Cb 0.28 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3hwk h PHE 349 CO 0.00 0.44 -0.45 1.15 -1.61 0.00 0.00 178.31 177.84 3hwk h THR 350 N 0.76 1.29 -0.44 -1.55 2.02 -1.80 -2.38 112.91 110.82 3hwk h THR 350 Ca 0.21 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.77 3hwk h THR 350 Cb -0.07 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3hwk h THR 350 CO -0.05 0.53 0.29 -0.65 0.37 0.00 0.00 175.52 176.00 3hwk h PRO 351 N 0.57 0.50 -0.55 6.66 0.11 -1.78 0.12 132.00 137.61 3hwk h PRO 351 Ca 0.04 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3hwk h PRO 351 Cb 1.00 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3hwk h PRO 351 CO 0.09 0.33 -0.10 0.82 -0.21 0.00 0.00 178.00 178.94 3hwk h ILE 352 N 0.51 1.27 -0.88 4.15 2.04 -1.28 -1.15 117.51 122.17 3hwk h ILE 352 Ca 0.17 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.80 3hwk h ILE 352 Cb 0.06 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3hwk h ILE 352 CO -0.04 0.45 0.57 0.15 0.00 0.00 0.00 178.15 179.28 3hwk h PHE 353 N 0.93 1.07 -0.49 1.37 3.04 -0.87 -2.11 116.94 119.89 3hwk h PHE 353 Ca 0.15 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.18 3hwk h PHE 353 Cb 0.67 -0.36 -0.05 0.00 2.56 0.00 0.00 35.95 38.77 3hwk h PHE 353 CO 0.05 0.63 0.21 0.28 -2.02 0.00 0.00 178.31 177.46 3hwk h VAL 354 N 1.12 0.90 -0.97 1.41 2.07 0.12 -0.94 116.25 119.96 3hwk h VAL 354 Ca 0.35 -0.14 0.23 0.00 0.82 0.00 0.00 66.70 67.95 3hwk h VAL 354 Cb -0.02 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 3hwk h VAL 354 CO -0.11 0.08 0.64 0.24 0.02 0.00 0.00 177.57 178.43 3hwk h MET 355 N 0.42 0.40 0.00 1.57 2.86 -0.55 -2.08 114.93 117.55 3hwk h MET 355 Ca 0.22 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 3hwk h MET 355 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3hwk h MET 355 CO -0.19 0.27 -0.61 1.03 1.06 0.00 0.00 176.91 178.47 3hwk h SER 356 N 0.41 0.00 0.74 1.22 0.87 -1.23 -3.38 113.55 112.19 3hwk h SER 356 Ca 0.53 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3hwk h SER 356 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3hwk h SER 356 CO -0.23 1.20 0.00 -0.09 -0.53 0.00 0.00 176.83 177.19 3hwk h ARG 357 N -1.00 0.00 -1.03 2.24 9.65 -0.89 -2.87 114.38 120.48 3hwk h ARG 357 Ca -0.16 0.00 0.27 0.00 -1.10 0.00 0.00 59.98 58.99 3hwk h ARG 357 Cb 1.09 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.59 3hwk h ARG 357 CO -0.10 0.00 0.69 0.97 2.80 0.00 0.00 179.97 184.33 3hwk h ILE 358 N 0.00 0.53 0.22 1.20 6.09 -1.56 0.14 117.51 124.12 3hwk h ILE 358 Ca 0.00 -0.10 -0.01 0.00 -1.37 0.00 0.00 64.86 63.38 3hwk h ILE 358 Cb 0.37 0.21 0.00 0.00 0.47 0.00 0.00 36.82 37.87 3hwk h ILE 358 CO 0.00 0.05 -0.10 0.71 -3.07 0.00 0.00 178.15 175.74 3hwk h THR 359 N 0.30 0.86 -0.34 2.19 1.35 -1.72 -1.24 112.91 114.30 3hwk h THR 359 Ca 0.56 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 3hwk h THR 359 Cb 1.60 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 3hwk h THR 359 CO -0.21 0.13 0.18 1.23 -0.25 0.00 0.00 175.52 176.61 3hwk h GLY 360 N -0.61 0.51 0.35 5.82 0.00 -0.73 -0.99 103.07 107.42 3hwk h GLY 360 Ca -0.03 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.12 3hwk h GLY 360 CO 0.05 0.23 -0.14 1.49 0.00 0.00 0.00 176.54 178.16 3hwk h TRP 361 N 0.43 -0.36 0.00 5.60 6.55 -1.01 -1.26 115.95 125.89 3hwk h TRP 361 Ca 0.12 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.88 3hwk h TRP 361 Cb 0.07 0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 28.55 3hwk h TRP 361 CO -0.03 -0.21 -0.52 1.79 -1.05 0.00 0.00 178.44 178.42 3hwk h THR 362 N -0.13 1.32 -0.71 1.49 1.35 -1.05 0.43 112.91 115.61 3hwk h THR 362 Ca 0.13 -1.80 -0.07 0.00 -0.55 0.00 0.00 66.41 64.12 3hwk h THR 362 Cb 0.32 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 3hwk h THR 362 CO -0.31 0.51 0.18 0.00 -0.25 0.00 0.00 175.52 175.65 3hwk h ALA 363 N 1.48 0.98 -0.26 6.62 0.00 -0.85 -1.12 119.26 126.11 3hwk h ALA 363 Ca -0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3hwk h ALA 363 Cb 0.94 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hwk h ALA 363 CO 0.07 0.66 -0.56 0.45 0.00 0.00 0.00 179.25 179.87 3hwk h HIS 364 N 1.07 1.02 -0.02 0.00 -0.00 -0.61 -1.56 115.15 115.05 3hwk h HIS 364 Ca 0.22 -0.37 0.01 0.00 -0.00 0.00 0.00 60.37 60.24 3hwk h HIS 364 Cb 0.36 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 3hwk h HIS 364 CO 0.03 1.18 -0.04 0.82 -0.00 0.00 0.00 177.93 179.91 3hwk h ILE 365 N 0.62 0.88 -0.88 2.45 2.04 -0.82 0.32 117.51 122.12 3hwk h ILE 365 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hwk h ILE 365 Cb 1.15 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3hwk h ILE 365 CO 0.12 0.00 0.50 0.24 0.00 0.00 0.00 178.15 179.01 3hwk h MET 366 N -0.06 1.22 -0.12 2.37 2.86 -1.13 0.27 114.93 120.33 3hwk h MET 366 Ca 0.03 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3hwk h MET 366 Cb 0.10 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 3hwk h MET 366 CO -0.06 0.88 -0.00 1.49 1.06 0.00 0.00 176.91 180.28 3hwk h GLU 367 N 1.23 0.22 -0.51 1.72 4.81 -0.99 -2.19 114.58 118.87 3hwk h GLU 367 Ca 0.31 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.57 3hwk h GLU 367 Cb 0.01 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.29 3hwk h GLU 367 CO -0.05 0.47 0.04 0.37 -0.73 0.00 0.00 179.01 179.10 3hwk h GLN 368 N -0.05 0.15 -0.95 1.92 5.75 0.08 -2.25 115.11 119.76 3hwk h GLN 368 Ca 0.03 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3hwk h GLN 368 Cb 0.37 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 3hwk h GLN 368 CO 0.01 0.10 0.62 0.00 -2.65 0.00 0.00 178.83 176.91 3hwk h ALA 369 N 1.43 1.20 0.00 3.38 0.00 -0.31 -2.14 119.26 122.82 3hwk h ALA 369 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hwk h ALA 369 Cb 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwk h ALA 369 CO -0.39 0.61 -0.38 0.25 0.00 0.00 0.00 179.25 179.34 3hwk n THR 370 N -4.41 0.44 -3.07 0.00 -2.24 -0.84 -3.98 114.28 100.17 3hwk n THR 370 Ca 0.11 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 3hwk n THR 370 Cb 0.02 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 3hwk n THR 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwk n ALA 371 N -1.80 3.10 -1.84 6.98 0.00 -0.86 -5.10 120.51 120.99 3hwk n ALA 371 Ca 0.04 -3.91 -0.35 0.00 0.00 0.00 0.00 53.44 49.22 3hwk n ALA 371 Cb 0.43 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 3hwk n ALA 371 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hwk s ASN 372 N -2.86 7.13 -0.11 0.00 2.47 -0.83 -4.86 114.94 115.87 3hwk s ASN 372 Ca 0.43 1.72 -0.08 0.00 0.42 0.00 0.00 52.86 55.35 3hwk s ASN 372 Cb 0.33 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 37.62 3hwk s ASN 372 CO -0.10 -0.19 0.28 0.00 -3.72 0.00 0.00 177.10 173.37 3hwk s ALA 373 N -1.86 -0.69 -0.03 1.71 0.00 -1.26 -5.11 121.76 114.52 3hwk s ALA 373 Ca 0.55 0.92 -0.39 0.00 0.00 0.00 0.00 51.96 53.03 3hwk s ALA 373 Cb -0.14 -0.55 -0.18 0.00 0.00 0.00 0.00 23.12 22.25 3hwk s ALA 373 CO 0.19 -0.16 1.29 -0.11 0.00 0.00 0.00 175.76 176.96 3hwk n LEU 374 N 3.40 0.99 -4.41 0.00 7.94 -1.24 -4.80 117.00 118.88 3hwk n LEU 374 Ca -0.17 1.14 -0.44 0.00 -1.11 0.00 0.00 56.01 55.43 3hwk n LEU 374 Cb 0.56 -1.05 -0.06 0.00 0.53 0.00 0.00 43.42 43.41 3hwk n LEU 374 CO 0.15 -1.33 0.36 -0.63 -1.11 0.00 0.00 177.39 174.83 3hwk s ILE 375 N 0.77 4.86 -0.35 1.96 1.01 -1.26 -4.97 121.20 123.22 3hwk s ILE 375 Ca 0.90 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3hwk s ILE 375 Cb -1.14 -4.38 0.14 0.00 0.01 0.00 0.00 42.46 37.09 3hwk s ILE 375 CO 0.56 -0.94 0.28 -0.60 0.00 0.00 0.00 174.94 174.24 3hwk s ARG 376 N 2.62 0.53 0.63 2.79 3.00 -1.26 -5.04 118.95 122.22 3hwk s ARG 376 Ca 0.13 -0.97 -0.09 0.00 -1.00 0.00 0.00 55.73 53.81 3hwk s ARG 376 Cb -0.22 -0.99 0.14 0.00 0.00 0.00 0.00 34.95 33.88 3hwk s ARG 376 CO 0.09 -1.17 0.86 -0.35 0.00 0.00 0.00 175.30 174.73 3hwk n PRO 377 N 4.34 -0.64 -4.28 5.12 -0.04 -1.26 -5.11 135.00 133.13 3hwk n PRO 377 Ca 0.09 -1.53 -0.23 0.00 -0.04 0.00 0.00 63.50 61.79 3hwk n PRO 377 Cb 0.42 -0.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.98 3hwk n PRO 377 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hwk s LEU 378 N 0.00 3.12 0.20 1.53 1.43 -1.26 -5.15 118.68 118.56 3hwk s LEU 378 Ca 0.50 -0.77 0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3hwk s LEU 378 Cb -0.02 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3hwk s LEU 378 CO 0.35 -0.10 -0.22 -0.94 0.23 0.00 0.00 176.35 175.67 3hwk s SER 379 N -3.70 3.30 0.24 2.29 1.04 -1.26 -5.09 113.70 110.52 3hwk s SER 379 Ca 0.33 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3hwk s SER 379 Cb -0.04 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 3hwk s SER 379 CO 0.20 0.08 0.41 0.00 0.98 0.00 0.00 173.24 174.90 3hwk s ALA 380 N -1.88 3.84 -0.13 5.32 0.00 -1.26 -5.11 121.76 122.54 3hwk s ALA 380 Ca 0.21 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 3hwk s ALA 380 Cb -0.07 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 3hwk s ALA 380 CO 0.10 0.28 -0.11 -0.47 0.00 0.00 0.00 175.76 175.56 3hwk s TYR 381 N -1.99 2.85 -0.09 0.00 5.04 -1.26 -4.99 117.35 116.90 3hwk s TYR 381 Ca 0.37 -0.57 0.19 0.00 -2.44 0.00 0.00 57.07 54.62 3hwk s TYR 381 Cb -0.10 -1.86 0.43 0.00 0.35 0.00 0.00 41.96 40.78 3hwk s TYR 381 CO 0.31 -0.17 1.19 0.00 -1.34 0.00 0.00 175.55 175.54 3hwk n GLY 383 N -0.23 3.34 3.75 0.00 0.00 -1.26 -5.06 105.19 105.73 3hwk n GLY 383 Ca 0.12 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 3hwk n GLY 383 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwk s HIS 384 N 1.82 3.18 0.86 1.61 5.65 -1.26 -5.00 115.29 122.17 3hwk s HIS 384 Ca 0.00 1.34 -0.13 0.00 0.25 0.00 0.00 55.06 56.52 3hwk s HIS 384 Cb 0.00 -3.62 0.07 0.00 -1.18 0.00 0.00 32.58 27.85 3hwk s HIS 384 CO 0.00 -1.79 0.86 0.39 -0.65 0.00 0.00 174.74 173.56 3hwk n GLU 385 N 1.64 -0.08 -1.69 2.88 -0.58 -1.26 -4.90 120.64 116.65 3hwk n GLU 385 Ca 0.03 0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.37 3hwk n GLU 385 Cb 0.42 -2.17 -0.02 0.00 -0.57 0.00 0.00 31.44 29.11 3hwk n GLU 385 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3hwk n GLN 386 N -2.67 2.14 -3.76 3.49 7.27 -1.26 -4.99 117.38 117.60 3hwk n GLN 386 Ca 0.11 0.76 -0.13 0.00 0.07 0.00 0.00 57.00 57.81 3hwk n GLN 386 Cb 0.52 -2.39 -0.12 0.00 2.41 0.00 0.00 30.24 30.65 3hwk n GLN 386 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3hwk s ARG 387 N -1.08 0.23 0.66 3.69 1.70 -1.26 -5.15 118.95 117.74 3hwk s ARG 387 Ca 0.62 0.41 -0.15 0.00 -0.47 0.00 0.00 55.73 56.15 3hwk s ARG 387 Cb -0.60 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 33.79 3hwk s ARG 387 CO 0.55 -0.10 1.10 0.14 -1.08 0.00 0.00 175.30 175.92 3hwk s VAL 388 N 0.67 3.31 0.43 4.99 -7.23 -1.26 -5.00 120.40 116.31 3hwk s VAL 388 Ca -0.05 0.59 -0.25 0.00 -1.81 0.00 0.00 61.98 60.46 3hwk s VAL 388 Cb -0.06 -3.12 -0.08 0.00 0.56 0.00 0.00 36.38 33.68 3hwk s VAL 388 CO -0.04 -0.39 1.29 -0.76 -0.31 0.00 0.00 175.10 174.89 3hwk s LEU 389 N -4.91 4.15 -0.08 1.32 1.43 -1.26 -4.95 118.68 114.38 3hwk s LEU 389 Ca 0.66 2.62 -0.39 0.00 -1.03 0.00 0.00 54.13 55.99 3hwk s LEU 389 Cb -0.20 -3.98 -0.17 0.00 0.03 0.00 0.00 46.19 41.87 3hwk s LEU 389 CO 0.42 -0.93 1.41 -2.65 0.23 0.00 0.00 176.35 174.83 3hwk n PRO 390 N -0.06 0.81 -0.64 1.29 -0.02 -1.26 -2.10 135.00 133.02 3hwk n PRO 390 Ca 0.05 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3hwk n PRO 390 Cb 0.44 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3hwk n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwk n GLY 391 N 2.87 0.66 0.26 -1.23 0.00 -1.26 -4.95 105.19 101.53 3hwk n GLY 391 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 3hwk n GLY 391 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hwk h THR 392 N 0.00 1.23 0.00 2.61 2.02 -1.80 -3.55 112.91 113.42 3hwk h THR 392 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3hwk h THR 392 Cb 0.00 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3hwk h THR 392 CO 0.00 0.34 0.00 2.22 0.37 0.00 0.00 175.52 178.45