#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 5.02 -1.03 5.18 1.01 -1.26 -4.99 121.20 125.13 3hwk s ILE 28 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 3hwk s ILE 28 Cb 0.00 -3.90 0.32 0.00 0.01 0.00 0.00 42.46 38.88 3hwk s ILE 28 CO 0.00 -0.04 1.70 0.29 0.00 0.00 0.00 174.94 176.88 3hwk n LYS 29 N 5.68 5.09 -1.68 2.79 4.76 -1.26 -5.02 118.16 128.52 3hwk n LYS 29 Ca -0.03 -4.64 -0.51 0.00 -2.87 0.00 0.00 58.31 50.26 3hwk n LYS 29 Cb 0.49 -2.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.16 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 0.35 1.83 -1.00 1.97 4.76 -1.26 -1.10 118.16 123.71 3hwk n LYS 30 Ca 0.40 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 3hwk n LYS 30 Cb 0.29 -2.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 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 4.02 0.48 2.22 0.72 0.00 -1.26 -3.29 105.19 108.08 3hwk n GLY 31 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.85 -4.68 0.99 4.77 -0.26 -4.88 117.00 112.09 3hwk n LEU 32 Ca 0.00 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 3hwk n LEU 32 Cb 0.04 -1.82 -0.03 0.00 -2.33 0.00 0.00 43.42 39.28 3hwk n LEU 32 CO 0.00 -0.24 1.48 0.00 -1.33 0.00 0.00 177.39 177.30 3hwk s ALA 33 N -2.28 3.70 0.00 -1.18 0.00 -1.21 -1.82 121.76 118.97 3hwk s ALA 33 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3hwk s ALA 33 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3hwk s ALA 33 CO 0.00 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3hwk n GLY 34 N 4.27 1.61 3.68 0.00 0.00 -1.26 -4.96 105.19 108.53 3hwk n GLY 34 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.43 4.97 -0.40 1.61 1.01 -0.76 -5.02 120.40 118.38 3hwk s VAL 35 Ca 0.00 1.45 -0.19 0.00 0.00 0.00 0.00 61.98 63.23 3hwk s VAL 35 Cb 0.00 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3hwk s VAL 35 CO 0.00 0.13 0.58 -0.69 0.00 0.00 0.00 175.10 175.11 3hwk s VAL 36 N 1.63 4.92 -0.07 2.92 1.01 -1.26 -4.92 120.40 124.63 3hwk s VAL 36 Ca 0.35 0.15 0.20 0.00 0.00 0.00 0.00 61.98 62.69 3hwk s VAL 36 Cb -0.17 -4.11 -0.31 0.00 0.00 0.00 0.00 36.38 31.79 3hwk s VAL 36 CO 0.14 -0.44 0.47 0.55 0.00 0.00 0.00 175.10 175.81 3hwk n VAL 37 N 5.65 0.00 -3.80 2.92 3.14 -1.26 -5.04 118.33 119.94 3hwk n VAL 37 Ca -0.03 -0.45 -0.01 0.00 -2.96 0.00 0.00 64.34 60.89 3hwk n VAL 37 Cb 0.48 0.08 0.01 0.00 -1.06 0.00 0.00 33.84 33.35 3hwk n VAL 37 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3hwk n ASP 38 N -2.18 -0.95 -4.46 6.55 -0.08 -1.26 -5.18 116.55 109.00 3hwk n ASP 38 Ca -0.03 -1.41 -0.29 0.00 -1.51 0.00 0.00 54.79 51.54 3hwk n ASP 38 Cb 0.52 1.52 -0.12 0.00 2.34 0.00 0.00 41.12 45.38 3hwk n ASP 38 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3hwk s THR 39 N -2.19 2.65 0.03 5.18 -1.32 -1.26 -5.14 115.64 113.59 3hwk s THR 39 Ca 0.16 -1.61 -0.06 0.00 -1.21 0.00 0.00 61.69 58.97 3hwk s THR 39 Cb -0.01 -2.21 -0.01 0.00 -1.51 0.00 0.00 72.50 68.76 3hwk s THR 39 CO 0.02 0.08 0.12 0.28 -2.21 0.00 0.00 174.62 172.92 3hwk s THR 40 N -1.15 0.12 -1.57 5.08 -1.32 -1.26 -5.03 115.64 110.52 3hwk s THR 40 Ca 0.17 -0.99 0.13 0.00 -1.21 0.00 0.00 61.69 59.79 3hwk s THR 40 Cb -0.10 -0.82 0.16 0.00 -1.51 0.00 0.00 72.50 70.22 3hwk s THR 40 CO 0.09 -0.55 1.00 0.00 -2.21 0.00 0.00 174.62 172.95 3hwk n ALA 41 N 0.86 2.43 -0.07 11.08 0.00 -1.26 -4.80 120.51 128.75 3hwk n ALA 41 Ca -0.20 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 3hwk n ALA 41 Cb 0.58 -0.47 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 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 2.59 1.72 -3.81 0.00 2.04 -1.95 -3.41 117.51 114.69 3hwk h ILE 42 Ca 0.00 -2.25 -0.09 0.00 1.00 0.00 0.00 64.86 63.52 3hwk h ILE 42 Cb 0.60 3.23 -0.12 0.00 -0.74 0.00 0.00 36.82 39.80 3hwk h ILE 42 CO 0.00 0.58 -0.26 -0.94 0.00 0.00 0.00 178.15 177.53 3hwk s SER 43 N -6.17 -0.01 -0.28 1.72 1.04 -1.26 -0.53 113.70 108.20 3hwk s SER 43 Ca -0.18 -0.86 -0.20 0.00 0.48 0.00 0.00 55.95 55.19 3hwk s SER 43 Cb -0.03 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.66 3hwk s SER 43 CO 0.67 -0.95 0.79 -0.75 0.98 0.00 0.00 173.24 173.98 3hwk s LYS 44 N -3.98 0.66 -0.33 4.02 2.20 -1.08 -4.90 119.74 116.33 3hwk s LYS 44 Ca 0.18 0.99 -0.25 0.00 -0.36 0.00 0.00 55.97 56.53 3hwk s LYS 44 Cb 0.02 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3hwk s LYS 44 CO 0.02 -0.11 0.87 0.08 -0.36 0.00 0.00 175.35 175.84 3hwk s VAL 45 N 1.06 4.69 -0.39 4.02 1.01 -1.26 -0.83 120.40 128.70 3hwk s VAL 45 Ca -0.05 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 3hwk s VAL 45 Cb -0.05 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3hwk s VAL 45 CO -0.12 -0.38 1.45 -0.69 0.00 0.00 0.00 175.10 175.37 3hwk s VAL 46 N 3.21 3.86 0.29 2.92 1.01 0.67 -4.88 120.40 127.48 3hwk s VAL 46 Ca 0.36 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.26 3hwk s VAL 46 Cb -0.13 -4.12 0.29 0.00 0.00 0.00 0.00 36.38 32.41 3hwk s VAL 46 CO 0.15 -0.68 1.70 -0.65 0.00 0.00 0.00 175.10 175.61 3hwk h PRO 47 N 10.84 0.38 -0.13 2.72 0.11 -1.96 0.13 132.00 144.10 3hwk h PRO 47 Ca -0.28 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.61 3hwk h PRO 47 Cb 1.11 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.15 3hwk h PRO 47 CO 1.07 0.25 -0.67 1.96 -0.21 0.00 0.00 178.00 180.40 3hwk h GLN 48 N 0.40 0.68 -0.00 1.05 7.50 -1.98 -3.22 115.11 119.53 3hwk h GLN 48 Ca 0.56 -0.56 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3hwk h GLN 48 Cb 1.06 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.71 3hwk h GLN 48 CO -0.53 1.18 -0.56 0.25 -1.50 0.00 0.00 178.83 177.66 3hwk n THR 49 N -4.06 0.00 -3.84 -0.54 -2.24 -1.17 -4.97 114.28 97.47 3hwk n THR 49 Ca -0.08 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 3hwk n THR 49 Cb 0.69 0.47 0.03 0.00 -2.10 0.00 0.00 70.33 69.42 3hwk n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hwk n ASN 50 N -1.31 -3.91 -4.44 3.42 5.15 0.41 -4.98 115.26 109.60 3hwk n ASN 50 Ca 0.06 -0.78 -0.37 0.00 -0.60 0.00 0.00 54.58 52.90 3hwk n ASN 50 Cb 0.34 -4.01 -0.12 0.00 -0.53 0.00 0.00 39.78 35.46 3hwk n ASN 50 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3hwk s SER 51 N -3.60 5.29 0.08 1.20 0.15 -1.03 -4.43 113.70 111.36 3hwk s SER 51 Ca 0.48 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.48 3hwk s SER 51 Cb -0.24 -1.95 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 3hwk s SER 51 CO 0.82 -0.10 1.25 -0.22 1.20 0.00 0.00 173.24 176.19 3hwk s LEU 52 N 1.61 4.38 0.09 3.45 2.96 -1.26 -0.24 118.68 129.66 3hwk s LEU 52 Ca 0.05 2.12 0.10 0.00 -0.22 0.00 0.00 54.13 56.18 3hwk s LEU 52 Cb -0.16 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 3hwk s LEU 52 CO 0.05 -0.52 -0.25 0.42 -1.32 0.00 0.00 176.35 174.73 3hwk s THR 53 N 1.00 2.33 -0.22 3.68 -4.23 -0.01 -0.15 115.64 118.03 3hwk s THR 53 Ca 0.60 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3hwk s THR 53 Cb -0.32 -1.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 3hwk s THR 53 CO 0.30 0.23 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.24 3hwk s TYR 54 N -0.95 2.96 -1.66 3.99 2.02 0.11 -2.64 117.35 121.17 3hwk s TYR 54 Ca 0.14 -1.04 -0.16 0.00 -0.37 0.00 0.00 57.07 55.63 3hwk s TYR 54 Cb -0.10 -2.09 0.14 0.00 -0.40 0.00 0.00 41.96 39.50 3hwk s TYR 54 CO 0.05 -0.58 0.78 0.54 -1.57 0.00 0.00 175.55 174.77 3hwk n ARG 55 N 4.78 -3.50 0.00 -0.62 5.12 0.31 -0.91 116.66 121.83 3hwk n ARG 55 Ca -0.18 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 3hwk n ARG 55 Cb 0.50 -5.10 0.00 0.00 -1.16 0.00 0.00 32.46 26.70 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 -1.49 2.77 3.73 -0.13 0.00 -1.26 -5.00 105.19 103.80 3hwk n GLY 56 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.17 3.61 0.24 1.61 2.02 -0.09 -4.93 117.35 117.65 3hwk s TYR 57 Ca 0.00 1.24 -0.31 0.00 -0.37 0.00 0.00 57.07 57.63 3hwk s TYR 57 Cb 0.00 -2.75 -0.11 0.00 -0.40 0.00 0.00 41.96 38.71 3hwk s TYR 57 CO 0.00 0.17 1.55 -2.14 -1.57 0.00 0.00 175.55 173.57 3hwk s PRO 58 N 0.47 4.19 0.39 -1.71 0.02 -1.26 0.05 135.00 137.15 3hwk s PRO 58 Ca 0.35 2.45 0.08 0.00 0.02 0.00 0.00 61.00 63.90 3hwk s PRO 58 Cb -0.18 -3.08 0.83 0.00 0.02 0.00 0.00 34.50 32.09 3hwk s PRO 58 CO 0.18 -0.57 2.01 -0.24 -0.33 0.00 0.00 177.00 178.05 3hwk h VAL 59 N 3.61 1.05 0.00 3.83 3.04 -0.89 -1.90 116.25 124.99 3hwk h VAL 59 Ca -0.45 -0.21 -0.13 0.00 -1.01 0.00 0.00 66.70 64.90 3hwk h VAL 59 Cb 1.21 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 3hwk h VAL 59 CO 0.83 0.11 -0.61 0.06 -1.01 0.00 0.00 177.57 176.95 3hwk h GLN 60 N 0.62 0.00 -0.06 4.17 -0.00 -1.90 0.12 115.11 118.06 3hwk h GLN 60 Ca 0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.77 3hwk h GLN 60 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.63 3hwk h GLN 60 CO -0.06 0.61 -0.38 -0.44 -0.00 0.00 0.00 178.83 178.56 3hwk h ASP 61 N 0.00 0.44 -0.38 0.06 3.32 -1.76 -2.44 116.42 115.66 3hwk h ASP 61 Ca -0.01 -0.67 0.06 0.00 0.02 0.00 0.00 57.03 56.44 3hwk h ASP 61 Cb 1.12 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 3hwk h ASP 61 CO 0.08 1.04 0.07 -0.07 -1.72 0.00 0.00 179.24 178.64 3hwk h LEU 62 N -0.12 -0.01 -1.46 1.55 3.38 -1.16 -1.44 115.31 116.05 3hwk h LEU 62 Ca -0.03 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3hwk h LEU 62 Cb 1.04 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 3hwk h LEU 62 CO 0.08 0.03 0.45 0.00 0.09 0.00 0.00 178.44 179.09 3hwk h ALA 63 N 1.29 1.81 0.05 1.53 0.00 -0.81 0.13 119.26 123.27 3hwk h ALA 63 Ca 0.18 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 3hwk h ALA 63 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hwk h ALA 63 CO -0.25 0.07 -1.06 0.00 0.00 0.00 0.00 179.25 178.02 3hwk h ALA 64 N 1.64 0.28 0.00 0.00 0.00 -0.79 -3.41 119.26 116.99 3hwk h ALA 64 Ca 0.30 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hwk h ALA 64 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hwk h ALA 64 CO -0.10 0.90 -0.30 0.54 0.00 0.00 0.00 179.25 180.29 3hwk n ARG 65 N -3.64 4.74 -4.18 0.00 1.74 -0.65 -5.07 116.66 109.60 3hwk n ARG 65 Ca -0.07 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.79 3hwk n ARG 65 Cb 0.91 -0.64 -0.06 0.00 -1.02 0.00 0.00 32.46 31.65 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 -3.77 5.56 0.26 0.00 1.04 -1.26 -4.81 113.70 110.71 3hwk s SER 67 Ca 0.33 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.19 3hwk s SER 67 Cb -0.07 -1.49 0.33 0.00 0.10 0.00 0.00 66.02 64.89 3hwk s SER 67 CO 0.22 -1.01 1.84 0.15 0.98 0.00 0.00 173.24 175.43 3hwk h PHE 68 N -0.00 1.03 -0.62 5.02 3.57 -1.96 -2.68 116.94 121.29 3hwk h PHE 68 Ca -0.45 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.08 3hwk h PHE 68 Cb 1.27 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 3hwk h PHE 68 CO 0.44 0.77 0.26 0.93 -2.23 0.00 0.00 178.31 178.48 3hwk h GLU 69 N 1.01 0.44 -0.60 1.11 3.07 -1.99 0.23 114.58 117.85 3hwk h GLU 69 Ca 0.24 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 3hwk h GLU 69 Cb 0.17 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3hwk h GLU 69 CO -0.02 0.29 0.17 1.96 -1.40 0.00 0.00 179.01 180.01 3hwk h GLN 70 N 0.46 0.91 0.04 2.33 4.20 -1.88 -2.02 115.11 119.14 3hwk h GLN 70 Ca 0.31 -0.18 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 3hwk h GLN 70 Cb 0.36 -0.14 0.02 0.00 0.30 0.00 0.00 27.48 28.01 3hwk h GLN 70 CO -0.29 0.79 -0.79 0.28 -0.67 0.00 0.00 178.83 178.15 3hwk h VAL 71 N 0.88 1.40 -0.48 -0.54 2.07 -1.07 -0.66 116.25 117.85 3hwk h VAL 71 Ca 0.20 -2.22 0.09 0.00 0.82 0.00 0.00 66.70 65.58 3hwk h VAL 71 Cb 0.27 2.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 3hwk h VAL 71 CO -0.01 0.66 0.05 0.00 0.02 0.00 0.00 177.57 178.29 3hwk h ALA 72 N 0.29 0.50 -0.15 1.67 0.00 -0.56 0.46 119.26 121.47 3hwk h ALA 72 Ca -0.11 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 72 Cb 1.51 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 3hwk h ALA 72 CO 0.15 -0.35 -0.03 0.35 0.00 0.00 0.00 179.25 179.38 3hwk h PHE 73 N 0.17 -0.06 -0.34 0.00 3.57 -1.23 -1.80 116.94 117.25 3hwk h PHE 73 Ca 0.24 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.82 3hwk h PHE 73 Cb 0.34 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 3hwk h PHE 73 CO -0.26 -0.06 -0.10 1.25 -2.23 0.00 0.00 178.31 176.91 3hwk h LEU 74 N 0.01 -0.38 -0.28 0.59 5.85 -0.61 0.52 115.31 121.01 3hwk h LEU 74 Ca 0.07 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hwk h LEU 74 Cb 0.11 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hwk h LEU 74 CO -0.15 -0.14 0.18 -0.07 -0.34 0.00 0.00 178.44 177.92 3hwk h LEU 75 N -0.03 0.31 -0.17 2.25 3.38 -0.66 0.87 115.31 121.26 3hwk h LEU 75 Ca 0.17 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 3hwk h LEU 75 Cb 0.28 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hwk h LEU 75 CO -0.37 0.22 -0.79 -0.50 0.09 0.00 0.00 178.44 177.09 3hwk h TRP 76 N 0.37 1.05 0.00 1.13 6.55 -1.03 -3.39 115.95 120.62 3hwk h TRP 76 Ca 0.10 -0.47 -0.36 0.00 0.95 0.00 0.00 58.89 59.12 3hwk h TRP 76 Cb -0.03 -0.16 -0.07 0.00 -0.86 0.00 0.00 29.16 28.04 3hwk h TRP 76 CO -0.06 1.30 -2.27 0.54 -1.05 0.00 0.00 178.44 176.90 3hwk n ARG 77 N -3.93 0.68 0.00 0.49 5.12 0.15 -5.01 116.66 114.16 3hwk n ARG 77 Ca -0.07 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3hwk n ARG 77 Cb 0.75 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 3hwk n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwk n GLY 78 N 1.72 0.44 3.14 -0.13 0.00 0.29 -5.05 105.19 105.60 3hwk n GLY 78 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.73 0.74 0.56 1.61 0.41 -1.25 -4.97 118.70 115.07 3hwk s GLU 79 Ca 0.00 -1.16 -0.20 0.00 -0.41 0.00 0.00 54.97 53.21 3hwk s GLU 79 Cb 0.00 -0.24 -0.05 0.00 -1.78 0.00 0.00 34.13 32.06 3hwk s GLU 79 CO 0.00 0.01 1.19 -0.51 -0.49 0.00 0.00 175.26 175.46 3hwk s LEU 80 N -2.58 3.75 0.36 1.80 1.43 -1.26 -3.79 118.68 118.38 3hwk s LEU 80 Ca 0.05 2.35 -0.18 0.00 -1.03 0.00 0.00 54.13 55.32 3hwk s LEU 80 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 3hwk s LEU 80 CO -0.03 -1.41 0.82 -2.16 0.23 0.00 0.00 176.35 173.80 3hwk s PRO 81 N -3.21 4.12 0.78 1.29 0.04 -1.26 -4.99 135.00 131.78 3hwk s PRO 81 Ca 0.74 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 3hwk s PRO 81 Cb -0.29 -2.38 0.07 0.00 0.04 0.00 0.00 34.50 31.93 3hwk s PRO 81 CO 0.33 0.11 1.10 0.95 0.04 0.00 0.00 177.00 179.52 3hwk s THR 82 N -2.01 3.13 0.27 1.26 -4.23 -1.26 -4.78 115.64 108.02 3hwk s THR 82 Ca 0.56 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 61.35 3hwk s THR 82 Cb -0.10 -2.80 0.41 0.00 1.34 0.00 0.00 72.50 71.34 3hwk s THR 82 CO 0.16 -0.47 1.56 0.44 -0.54 0.00 0.00 174.62 175.77 3hwk h ASP 83 N -1.15 -1.02 0.45 3.99 3.32 -1.98 0.12 116.42 120.14 3hwk h ASP 83 Ca -0.44 0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 3hwk h ASP 83 Cb 1.24 0.64 -0.01 0.00 0.22 0.00 0.00 39.33 41.42 3hwk h ASP 83 CO 0.50 -0.32 -0.63 0.00 -1.72 0.00 0.00 179.24 177.07 3hwk h ALA 84 N 1.87 0.86 -0.44 3.45 0.00 -1.99 -0.27 119.26 122.74 3hwk h ALA 84 Ca 0.45 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hwk h ALA 84 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hwk h ALA 84 CO -1.01 0.76 -0.12 0.93 0.00 0.00 0.00 179.25 179.81 3hwk h GLU 85 N 0.12 0.85 -0.67 0.00 5.08 -1.61 -2.95 114.58 115.40 3hwk h GLU 85 Ca -0.01 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 3hwk h GLU 85 Cb 1.14 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3hwk h GLU 85 CO 0.09 0.97 0.14 1.25 -1.00 0.00 0.00 179.01 180.46 3hwk h LEU 86 N 0.68 1.01 -0.41 1.33 5.85 -0.53 -1.21 115.31 122.03 3hwk h LEU 86 Ca 0.11 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3hwk h LEU 86 Cb 0.66 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3hwk h LEU 86 CO 0.05 0.99 0.26 0.00 -0.34 0.00 0.00 178.44 179.39 3hwk h ALA 87 N 1.14 0.52 -0.59 1.25 0.00 -1.00 0.01 119.26 120.60 3hwk h ALA 87 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 87 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hwk h ALA 87 CO 0.00 -0.00 0.01 -0.07 0.00 0.00 0.00 179.25 179.19 3hwk h LEU 88 N 0.55 0.99 0.37 0.00 3.38 -1.38 -2.32 115.31 116.91 3hwk h LEU 88 Ca 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3hwk h LEU 88 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3hwk h LEU 88 CO -0.03 1.04 -0.18 0.15 0.09 0.00 0.00 178.44 179.51 3hwk h PHE 89 N 0.93 -0.46 -0.75 1.13 3.57 -0.90 -2.41 116.94 118.07 3hwk h PHE 89 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3hwk h PHE 89 Cb 0.53 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 3hwk h PHE 89 CO 0.04 -0.15 0.46 1.03 -2.23 0.00 0.00 178.31 177.45 3hwk h SER 90 N -0.75 0.74 -0.56 0.41 0.87 -1.05 -1.10 113.55 112.11 3hwk h SER 90 Ca -0.05 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 3hwk h SER 90 Cb 0.51 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3hwk h SER 90 CO 0.08 0.50 0.03 -0.61 -0.53 0.00 0.00 176.83 176.30 3hwk h GLN 91 N 0.88 1.00 -0.71 2.24 5.75 -1.45 -0.14 115.11 122.68 3hwk h GLN 91 Ca 0.31 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 3hwk h GLN 91 Cb 0.07 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3hwk h GLN 91 CO -0.13 0.96 0.25 -0.09 -2.65 0.00 0.00 178.83 177.17 3hwk h ARG 92 N 0.92 1.06 -0.05 1.69 9.65 -1.01 -1.59 114.38 125.05 3hwk h ARG 92 Ca 0.17 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3hwk h ARG 92 Cb 0.50 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3hwk h ARG 92 CO 0.02 0.88 0.04 1.49 2.80 0.00 0.00 179.97 185.20 3hwk h GLU 93 N 1.03 0.07 -0.22 0.20 4.22 -0.56 -2.56 114.58 116.76 3hwk h GLU 93 Ca 0.23 -0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.61 3hwk h GLU 93 Cb 0.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hwk h GLU 93 CO -0.01 0.05 -0.11 0.00 -2.18 0.00 0.00 179.01 176.75 3hwk h ARG 94 N 0.07 0.35 0.00 1.92 3.08 -0.87 -2.06 114.38 116.87 3hwk h ARG 94 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hwk h ARG 94 Cb -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3hwk h ARG 94 CO -0.00 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 3hwk n ALA 95 N -2.48 1.74 -0.23 0.04 0.00 -0.61 -3.47 120.51 115.49 3hwk n ALA 95 Ca -0.00 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.55 3hwk n ALA 95 Cb 0.28 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.07 3.11 0.10 0.00 7.64 -0.78 -4.65 113.62 116.97 3hwk n SER 96 Ca 0.03 -2.03 0.01 0.00 1.01 0.00 0.00 58.87 57.89 3hwk n SER 96 Cb 0.24 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 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 2.37 0.00 -6.84 1.43 3.08 -1.59 -3.34 114.38 109.48 3hwk h ARG 97 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3hwk h ARG 97 Cb 0.79 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.87 3hwk h ARG 97 CO 0.01 0.49 0.50 1.03 -1.07 0.00 0.00 179.97 180.92 3hwk s ARG 98 N -2.92 4.50 0.21 0.04 0.52 -1.26 -4.58 118.95 115.45 3hwk s ARG 98 Ca 0.02 1.85 -0.09 0.00 -0.52 0.00 0.00 55.73 56.99 3hwk s ARG 98 Cb 0.08 -3.07 -0.07 0.00 0.52 0.00 0.00 34.95 32.41 3hwk s ARG 98 CO 0.77 0.07 0.52 0.14 0.02 0.00 0.00 175.30 176.82 3hwk s VAL 99 N -1.22 4.97 0.62 3.52 -7.23 -1.26 -4.99 120.40 114.80 3hwk s VAL 99 Ca 0.47 0.42 -0.07 0.00 -1.81 0.00 0.00 61.98 60.99 3hwk s VAL 99 Cb -0.32 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.01 3hwk s VAL 99 CO 0.42 -0.04 0.94 -1.81 -0.31 0.00 0.00 175.10 174.30 3hwk s ASP 100 N -2.34 5.49 0.32 4.85 1.01 -1.26 -4.90 116.67 119.84 3hwk s ASP 100 Ca 0.46 0.74 0.10 0.00 0.71 0.00 0.00 52.55 54.56 3hwk s ASP 100 Cb -0.11 -1.67 0.87 0.00 1.01 0.00 0.00 42.92 43.01 3hwk s ASP 100 CO 0.22 -1.16 1.75 0.08 0.21 0.00 0.00 175.17 176.27 3hwk h ARG 101 N -0.28 0.60 -0.44 8.23 -0.00 -1.99 -0.83 114.38 119.67 3hwk h ARG 101 Ca -0.45 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.46 3hwk h ARG 101 Cb 1.26 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.97 31.08 3hwk h ARG 101 CO 0.61 0.40 0.14 0.66 -0.00 0.00 0.00 179.97 181.77 3hwk h SER 102 N 0.62 0.58 -0.19 0.08 4.64 -1.99 -0.16 113.55 117.13 3hwk h SER 102 Ca 0.62 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.70 3hwk h SER 102 Cb 1.15 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3hwk h SER 102 CO -0.42 0.56 -0.51 -0.03 -0.87 0.00 0.00 176.83 175.56 3hwk h MET 103 N 0.63 0.67 -0.67 4.77 -1.53 -1.56 -1.28 114.93 115.97 3hwk h MET 103 Ca 0.15 -0.48 -0.01 0.00 -3.44 0.00 0.00 59.70 55.92 3hwk h MET 103 Cb 0.19 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.28 3hwk h MET 103 CO -0.01 1.10 0.37 -0.07 0.14 0.00 0.00 176.91 178.44 3hwk h LEU 104 N 0.37 0.82 -0.45 3.39 3.38 -0.86 0.14 115.31 122.10 3hwk h LEU 104 Ca -0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hwk h LEU 104 Cb 1.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3hwk h LEU 104 CO 0.11 0.66 0.15 -1.28 0.09 0.00 0.00 178.44 178.17 3hwk h SER 105 N 0.93 0.64 -0.41 -0.43 0.87 -1.00 -1.94 113.55 112.21 3hwk h SER 105 Ca 0.24 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3hwk h SER 105 Cb 0.02 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3hwk h SER 105 CO -0.04 0.66 0.20 0.25 -0.53 0.00 0.00 176.83 177.38 3hwk h LEU 106 N 0.58 0.53 -1.54 2.23 5.85 0.08 -1.25 115.31 121.79 3hwk h LEU 106 Ca 0.15 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3hwk h LEU 106 Cb 0.24 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3hwk h LEU 106 CO -0.01 0.50 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.30 3hwk h LEU 107 N 0.52 0.00 0.02 2.25 3.38 -0.77 -1.34 115.31 119.37 3hwk h LEU 107 Ca 0.14 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 3hwk h LEU 107 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3hwk h LEU 107 CO -0.02 0.22 -1.13 0.00 0.09 0.00 0.00 178.44 177.60 3hwk h ALA 108 N 1.78 0.36 0.00 1.53 0.00 -1.05 -3.36 119.26 118.52 3hwk h ALA 108 Ca -0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 54.91 53.75 3hwk h ALA 108 Cb 0.53 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hwk h ALA 108 CO 0.03 1.24 -1.11 0.87 0.00 0.00 0.00 179.25 180.29 3hwk h LYS 109 N 0.01 0.00 -6.86 0.00 1.57 -0.69 -3.46 116.57 107.15 3hwk h LYS 109 Ca -0.06 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.17 3hwk h LYS 109 Cb 1.83 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.24 3hwk h LYS 109 CO 0.14 0.56 0.76 1.28 -0.57 0.00 0.00 179.45 181.61 3hwk n LEU 110 N -3.12 4.43 -4.75 2.94 4.77 -0.56 -4.94 117.00 115.78 3hwk n LEU 110 Ca -0.05 1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 56.74 3hwk n LEU 110 Cb 0.87 -1.59 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3hwk n LEU 110 CO 0.44 0.05 0.99 -2.16 -1.33 0.00 0.00 177.39 175.37 3hwk s PRO 111 N -1.55 3.05 -0.06 3.23 0.04 -1.26 -4.88 135.00 133.58 3hwk s PRO 111 Ca 0.57 2.25 0.10 0.00 0.04 0.00 0.00 61.00 63.96 3hwk s PRO 111 Cb -0.50 -2.21 0.39 0.00 0.04 0.00 0.00 34.50 32.21 3hwk s PRO 111 CO 0.59 -1.27 1.23 -0.40 0.04 0.00 0.00 177.00 177.19 3hwk n ASP 112 N -1.14 2.72 -0.19 6.66 3.85 -1.26 -3.64 116.55 123.55 3hwk n ASP 112 Ca 0.11 -2.22 0.04 0.00 -0.71 0.00 0.00 54.79 52.01 3hwk n ASP 112 Cb 0.45 -0.41 0.05 0.00 -1.35 0.00 0.00 41.12 39.86 3hwk n ASP 112 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3hwk n ASN 113 N 0.51 1.18 -4.93 -1.12 6.94 -1.26 -4.89 115.26 111.70 3hwk n ASN 113 Ca 0.14 -2.25 -0.26 0.00 -0.02 0.00 0.00 54.58 52.19 3hwk n ASN 113 Cb 0.52 -0.22 0.05 0.00 -2.36 0.00 0.00 39.78 37.76 3hwk n ASN 113 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hwk s HIS 115 N -3.07 3.18 0.63 0.00 2.46 -1.26 -4.88 115.29 112.35 3hwk s HIS 115 Ca 0.57 1.25 0.35 0.00 0.47 0.00 0.00 55.06 57.70 3hwk s HIS 115 Cb -0.11 -3.65 2.00 0.00 -0.13 0.00 0.00 32.58 30.70 3hwk s HIS 115 CO 0.44 -1.97 2.24 -1.35 -2.47 0.00 0.00 174.74 171.63 3hwk h PRO 116 N 4.79 0.00 -0.09 2.88 0.11 -1.96 0.15 132.00 137.87 3hwk h PRO 116 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3hwk h PRO 116 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hwk h PRO 116 CO 0.74 0.00 -0.09 0.52 -0.21 0.00 0.00 178.00 178.96 3hwk h MET 117 N 0.00 0.13 0.00 1.05 2.86 -1.90 -2.58 114.93 114.49 3hwk h MET 117 Ca 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3hwk h MET 117 Cb 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3hwk h MET 117 CO -0.00 0.24 -0.20 -0.44 1.06 0.00 0.00 176.91 177.57 3hwk h ASP 118 N 0.13 0.00 0.05 1.22 3.32 -1.06 0.13 116.42 120.22 3hwk h ASP 118 Ca 0.03 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 3hwk h ASP 118 Cb 0.25 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.83 3hwk h ASP 118 CO 0.01 0.20 -0.97 0.58 -1.72 0.00 0.00 179.24 177.34 3hwk h VAL 119 N 0.00 1.34 -0.14 -1.35 2.07 -1.49 -1.22 116.25 115.47 3hwk h VAL 119 Ca -0.00 -2.30 -0.22 0.00 0.82 0.00 0.00 66.70 65.00 3hwk h VAL 119 Cb 0.36 2.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3hwk h VAL 119 CO 0.03 0.69 -0.78 1.62 0.02 0.00 0.00 177.57 179.15 3hwk h VAL 120 N 0.15 1.28 -0.35 2.57 3.04 -1.29 0.22 116.25 121.87 3hwk h VAL 120 Ca -0.14 -1.98 0.07 0.00 -1.01 0.00 0.00 66.70 63.65 3hwk h VAL 120 Cb 1.66 2.01 -0.07 0.00 -2.01 0.00 0.00 31.29 32.88 3hwk h VAL 120 CO 0.19 0.63 -0.12 -0.09 -1.01 0.00 0.00 177.57 177.16 3hwk h ARG 121 N 0.51 -0.04 -0.19 4.17 2.43 -0.80 -1.36 114.38 119.11 3hwk h ARG 121 Ca -0.06 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3hwk h ARG 121 Cb 1.41 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3hwk h ARG 121 CO 0.16 -0.03 -0.30 1.15 -1.51 0.00 0.00 179.97 179.44 3hwk h THR 122 N -0.05 1.34 0.16 0.20 2.02 -1.07 -2.77 112.91 112.74 3hwk h THR 122 Ca 0.17 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.84 3hwk h THR 122 Cb 0.31 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3hwk h THR 122 CO -0.39 0.47 -0.30 0.00 0.37 0.00 0.00 175.52 175.67 3hwk h ALA 123 N 0.60 -0.53 -0.57 6.16 0.00 -0.45 -0.04 119.26 124.44 3hwk h ALA 123 Ca 0.02 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 123 Cb 0.89 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3hwk h ALA 123 CO 0.07 -0.85 0.21 0.82 0.00 0.00 0.00 179.25 179.50 3hwk h ILE 124 N -0.54 0.80 -0.99 0.00 1.08 -1.33 0.14 117.51 116.67 3hwk h ILE 124 Ca 0.02 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 3hwk h ILE 124 Cb 0.55 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 3hwk h ILE 124 CO -0.15 0.07 0.64 -1.28 -0.69 0.00 0.00 178.15 176.75 3hwk h SER 125 N 0.39 1.04 -0.29 1.72 0.87 -1.17 -1.71 113.55 114.40 3hwk h SER 125 Ca 0.28 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.72 3hwk h SER 125 Cb 0.32 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3hwk h SER 125 CO -0.28 0.68 -0.29 0.22 -0.53 0.00 0.00 176.83 176.63 3hwk h TYR 126 N 1.18 0.84 -0.51 2.24 3.20 0.09 -2.81 116.97 121.21 3hwk h TYR 126 Ca 0.42 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3hwk h TYR 126 Cb 0.13 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3hwk h TYR 126 CO -0.00 1.00 0.18 -0.07 -1.64 0.00 0.00 178.16 177.62 3hwk h LEU 127 N 0.44 0.68 -0.45 2.82 3.38 -0.42 -2.40 115.31 119.36 3hwk h LEU 127 Ca 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3hwk h LEU 127 Cb 0.86 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3hwk h LEU 127 CO 0.07 0.64 0.20 1.23 0.09 0.00 0.00 178.44 180.67 3hwk h GLY 128 N 0.89 0.71 1.75 0.83 0.00 -1.22 -1.65 103.07 104.39 3hwk h GLY 128 Ca 0.17 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3hwk h GLY 128 CO -0.01 0.35 0.12 0.00 0.00 0.00 0.00 176.54 177.00 3hwk h ALA 129 N 1.05 1.98 0.00 3.60 0.00 -1.18 -1.99 119.26 122.72 3hwk h ALA 129 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hwk h ALA 129 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hwk h ALA 129 CO -0.02 -0.01 -0.59 0.93 0.00 0.00 0.00 179.25 179.56 3hwk h GLU 130 N 0.15 0.00 -6.03 0.00 5.08 -0.99 -3.45 114.58 109.34 3hwk h GLU 130 Ca 0.07 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.83 3hwk h GLU 130 Cb 0.11 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.26 3hwk h GLU 130 CO -0.01 0.00 0.53 0.34 -1.00 0.00 0.00 179.01 178.87 3hwk s ASP 131 N -4.28 6.58 0.47 1.42 -1.08 -0.66 -4.90 116.67 114.22 3hwk s ASP 131 Ca 0.06 0.36 0.32 0.00 -0.52 0.00 0.00 52.55 52.77 3hwk s ASP 131 Cb 0.13 -2.44 1.62 0.00 -1.46 0.00 0.00 42.92 40.77 3hwk s ASP 131 CO 0.71 -0.89 1.98 1.55 0.52 0.00 0.00 175.17 179.04 3hwk h PRO 132 N 8.69 0.00 -0.44 4.34 0.13 -1.87 -1.83 132.00 141.01 3hwk h PRO 132 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hwk h PRO 132 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hwk h PRO 132 CO 0.98 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.50 3hwk n ASP 133 N -2.68 3.45 -0.31 1.44 8.00 -1.26 -4.72 116.55 120.46 3hwk n ASP 133 Ca -0.01 -1.97 0.02 0.00 0.71 0.00 0.00 54.79 53.54 3hwk n ASP 133 Cb 0.12 -0.29 0.07 0.00 -0.02 0.00 0.00 41.12 41.01 3hwk n ASP 133 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3hwk n GLU 134 N 1.39 -0.14 -0.26 -1.24 2.13 -0.69 -1.23 120.64 120.60 3hwk n GLU 134 Ca 0.19 1.31 0.08 0.00 0.66 0.00 0.00 57.16 59.39 3hwk n GLU 134 Cb 0.58 -1.95 0.22 0.00 0.27 0.00 0.00 31.44 30.56 3hwk n GLU 134 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hwk n ASP 135 N -5.31 2.65 -4.36 4.31 8.00 -1.26 -4.40 116.55 116.19 3hwk n ASP 135 Ca 0.11 -2.02 -0.44 0.00 0.71 0.00 0.00 54.79 53.15 3hwk n ASP 135 Cb 0.38 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.98 6.09 0.53 -2.24 -1.08 -0.36 -4.95 116.67 113.68 3hwk s ASP 136 Ca 0.33 -1.44 0.21 0.00 -0.52 0.00 0.00 52.55 51.12 3hwk s ASP 136 Cb 0.17 -2.16 1.42 0.00 -1.46 0.00 0.00 42.92 40.89 3hwk s ASP 136 CO 0.22 -0.67 2.15 0.00 0.52 0.00 0.00 175.17 177.38 3hwk h ALA 137 N 8.73 1.73 -0.00 3.66 0.00 -1.85 -2.01 119.26 129.52 3hwk h ALA 137 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hwk h ALA 137 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hwk h ALA 137 CO 0.89 0.06 0.00 0.00 0.00 0.00 0.00 179.25 180.20 3hwk h ALA 138 N 1.96 1.13 -0.49 0.00 0.00 -1.95 -1.83 119.26 118.08 3hwk h ALA 138 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hwk h ALA 138 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hwk h ALA 138 CO 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3hwk n ALA 139 N -2.14 3.56 -0.20 0.00 0.00 -0.75 -4.67 120.51 116.31 3hwk n ALA 139 Ca -0.03 -2.02 0.06 0.00 0.00 0.00 0.00 53.44 51.45 3hwk n ALA 139 Cb 0.07 -0.99 0.33 0.00 0.00 0.00 0.00 19.45 18.87 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 3.34 0.71 -0.37 0.00 2.35 -1.47 -1.87 115.58 118.27 3hwk h ASN 140 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3hwk h ASN 140 Cb 1.78 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.99 3hwk h ASN 140 CO 0.39 0.46 0.05 0.03 -1.65 0.00 0.00 177.43 176.72 3hwk h ARG 141 N 0.81 0.62 -0.57 0.81 -0.00 -1.84 0.21 114.38 114.41 3hwk h ARG 141 Ca 0.33 -0.17 -0.08 0.00 -0.50 0.00 0.00 59.98 59.56 3hwk h ARG 141 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.12 3hwk h ARG 141 CO -0.11 0.68 0.04 0.00 0.00 0.00 0.00 179.97 180.58 3hwk h ALA 142 N 0.91 0.99 -0.41 0.04 0.00 -1.81 -1.89 119.26 117.09 3hwk h ALA 142 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3hwk h ALA 142 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hwk h ALA 142 CO 0.01 0.62 -0.13 0.87 0.00 0.00 0.00 179.25 180.62 3hwk h LYS 143 N 0.89 0.81 -0.52 0.00 1.57 -1.03 -1.45 116.57 116.83 3hwk h LYS 143 Ca 0.17 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3hwk h LYS 143 Cb 0.47 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3hwk h LYS 143 CO 0.02 0.95 0.32 0.00 -0.57 0.00 0.00 179.45 180.17 3hwk h ALA 144 N 0.83 0.66 -0.19 3.86 0.00 -0.46 -1.18 119.26 122.79 3hwk h ALA 144 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 144 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hwk h ALA 144 CO 0.05 0.04 0.12 0.52 0.00 0.00 0.00 179.25 179.98 3hwk h MET 145 N 0.64 0.25 -0.59 0.00 2.86 -1.23 -1.54 114.93 115.31 3hwk h MET 145 Ca 0.20 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 3hwk h MET 145 Cb -0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3hwk h MET 145 CO -0.08 0.17 0.32 0.00 1.06 0.00 0.00 176.91 178.38 3hwk h ARG 146 N 0.25 0.60 -0.43 1.72 3.08 -1.07 -0.73 114.38 117.79 3hwk h ARG 146 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3hwk h ARG 146 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3hwk h ARG 146 CO -0.01 0.39 0.23 0.52 -1.07 0.00 0.00 179.97 180.03 3hwk h MET 147 N 0.61 0.60 -0.42 0.04 2.86 -1.00 -2.26 114.93 115.37 3hwk h MET 147 Ca 0.26 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3hwk h MET 147 Cb 0.13 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3hwk h MET 147 CO -0.16 0.49 -0.11 1.98 1.06 0.00 0.00 176.91 180.18 3hwk h MET 148 N 0.56 0.74 -0.05 1.72 1.85 -0.81 -2.20 114.93 116.75 3hwk h MET 148 Ca 0.15 -0.24 -0.15 0.00 -0.61 0.00 0.00 59.70 58.85 3hwk h MET 148 Cb 0.06 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3hwk h MET 148 CO -0.02 0.83 -0.64 0.00 -0.40 0.00 0.00 176.91 176.67 3hwk h ALA 149 N 1.21 0.82 0.00 0.39 0.00 -1.02 -3.35 119.26 117.31 3hwk h ALA 149 Ca 0.12 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3hwk h ALA 149 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hwk h ALA 149 CO 0.04 0.76 -1.55 1.55 0.00 0.00 0.00 179.25 180.05 3hwk n VAL 150 N -3.83 0.72 -0.14 0.00 3.14 -0.86 -4.35 118.33 113.00 3hwk n VAL 150 Ca -0.02 -0.61 -0.04 0.00 -2.96 0.00 0.00 64.34 60.70 3hwk n VAL 150 Cb 0.64 -0.39 0.05 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.14 -1.16 6.55 3.38 -1.54 -1.97 115.31 120.71 3hwk h LEU 151 Ca -0.11 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3hwk h LEU 151 Cb 1.32 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 3hwk h LEU 151 CO 0.02 0.11 0.59 -0.65 0.09 0.00 0.00 178.44 178.59 3hwk h PRO 152 N 0.31 0.95 -0.14 1.13 0.11 -1.78 0.12 132.00 132.69 3hwk h PRO 152 Ca 0.22 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3hwk h PRO 152 Cb 0.23 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3hwk h PRO 152 CO -0.23 0.63 0.06 1.15 -0.21 0.00 0.00 178.00 179.40 3hwk h THR 153 N 0.97 1.13 -0.16 -1.15 2.02 -1.61 0.25 112.91 114.36 3hwk h THR 153 Ca 0.40 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3hwk h THR 153 Cb 0.29 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3hwk h THR 153 CO -0.16 0.12 0.09 0.40 0.37 0.00 0.00 175.52 176.34 3hwk h ILE 154 N 0.09 1.08 -0.55 3.11 2.04 -0.95 -1.40 117.51 120.94 3hwk h ILE 154 Ca 0.05 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3hwk h ILE 154 Cb 0.13 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3hwk h ILE 154 CO -0.01 0.08 0.31 0.58 0.00 0.00 0.00 178.15 179.12 3hwk h VAL 155 N 0.17 1.18 -0.62 1.67 2.07 -0.64 -0.71 116.25 119.38 3hwk h VAL 155 Ca 0.06 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3hwk h VAL 155 Cb 0.04 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3hwk h VAL 155 CO -0.01 0.19 0.25 0.00 0.02 0.00 0.00 177.57 178.02 3hwk h ALA 156 N 1.15 0.80 -0.50 1.67 0.00 -0.84 -1.14 119.26 120.40 3hwk h ALA 156 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hwk h ALA 156 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hwk h ALA 156 CO -0.03 0.42 0.22 0.82 0.00 0.00 0.00 179.25 180.67 3hwk h ILE 157 N 0.87 1.21 -0.49 0.00 2.04 -0.87 0.50 117.51 120.76 3hwk h ILE 157 Ca 0.21 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3hwk h ILE 157 Cb 0.20 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3hwk h ILE 157 CO -0.02 0.24 0.06 -0.78 0.00 0.00 0.00 178.15 177.65 3hwk h ASP 158 N 0.67 0.80 -0.28 1.72 3.58 -1.05 0.46 116.42 122.32 3hwk h ASP 158 Ca 0.17 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 3hwk h ASP 158 Cb 0.17 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3hwk h ASP 158 CO -0.02 0.87 0.15 -0.03 -2.88 0.00 0.00 179.24 177.33 3hwk h MET 159 N 0.70 0.40 -0.48 0.28 4.05 -0.96 -3.14 114.93 115.78 3hwk h MET 159 Ca 0.15 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.40 3hwk h MET 159 Cb 0.43 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 3hwk h MET 159 CO 0.01 0.36 -0.15 0.00 0.23 0.00 0.00 176.91 177.37 3hwk h ARG 160 N 0.33 0.92 0.00 0.39 3.08 -0.66 -3.07 114.38 115.37 3hwk h ARG 160 Ca 0.10 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3hwk h ARG 160 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hwk h ARG 160 CO -0.01 1.00 -0.11 0.07 -1.07 0.00 0.00 179.97 179.85 3hwk h ARG 161 N 0.81 0.00 0.00 0.04 0.11 -0.87 0.05 114.38 114.52 3hwk h ARG 161 Ca 0.12 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.17 3hwk h ARG 161 Cb 0.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.77 3hwk h ARG 161 CO 0.05 0.11 -0.15 0.00 0.10 0.00 0.00 179.97 180.07 3hwk h ARG 162 N 0.00 0.00 -0.03 0.08 3.08 -1.49 -2.36 114.38 113.66 3hwk h ARG 162 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hwk h ARG 162 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hwk h ARG 162 CO 0.01 0.15 0.00 0.54 -1.07 0.00 0.00 179.97 179.61 3hwk n ARG 163 N -3.25 1.84 -0.76 0.04 1.74 -0.12 -4.93 116.66 111.22 3hwk n ARG 163 Ca 0.01 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 3hwk n ARG 163 Cb 0.44 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.22 0.55 3.55 -0.13 0.00 -0.89 -5.06 105.19 104.44 3hwk n GLY 164 Ca 0.18 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 3.05 0.72 0.99 1.43 -0.46 -4.99 118.68 119.42 3hwk s LEU 165 Ca 0.00 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3hwk s LEU 165 Cb 0.00 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.60 3hwk s LEU 165 CO 0.00 0.36 1.10 -2.16 0.23 0.00 0.00 176.35 175.87 3hwk s PRO 166 N -0.79 2.56 0.42 1.29 0.04 -1.26 -3.28 135.00 133.98 3hwk s PRO 166 Ca 0.12 0.27 -0.26 0.00 0.04 0.00 0.00 61.00 61.17 3hwk s PRO 166 Cb -0.11 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3hwk s PRO 166 CO 0.01 -1.18 1.33 -2.30 0.04 0.00 0.00 177.00 174.90 3hwk n PRO 167 N -3.05 2.08 -3.81 0.56 -0.02 -1.26 -4.92 135.00 124.57 3hwk n PRO 167 Ca 0.07 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.93 3hwk n PRO 167 Cb 0.59 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 3hwk n PRO 167 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hwk s ILE 168 N -1.18 4.58 0.65 4.25 1.01 -1.26 -5.10 121.20 124.15 3hwk s ILE 168 Ca 0.60 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 3hwk s ILE 168 Cb -0.49 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 3hwk s ILE 168 CO 0.59 0.36 1.24 0.00 0.00 0.00 0.00 174.94 177.12 3hwk n ALA 169 N 4.58 0.98 -1.67 9.38 0.00 -1.26 -4.68 120.51 127.83 3hwk n ALA 169 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 3hwk n ALA 169 Cb 0.52 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.82 1.73 -3.81 0.00 -0.02 -1.26 -4.77 135.00 125.04 3hwk n PRO 170 Ca 0.16 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 3hwk n PRO 170 Cb 0.48 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.22 3.27 -0.85 6.00 2.46 -1.26 -4.98 115.29 118.71 3hwk s HIS 171 Ca 0.62 -1.65 0.14 0.00 0.47 0.00 0.00 55.06 54.64 3hwk s HIS 171 Cb -0.52 -2.26 0.63 0.00 -0.13 0.00 0.00 32.58 30.29 3hwk s HIS 171 CO 0.57 -0.77 1.45 -1.13 -2.47 0.00 0.00 174.74 172.39 3hwk n SER 172 N 4.73 0.17 -0.42 9.88 3.41 -1.26 -1.13 113.62 128.99 3hwk n SER 172 Ca -0.12 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 3hwk n SER 172 Cb 0.44 -0.58 0.54 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.32 -0.14 3.40 5.00 0.00 -1.26 -4.91 105.19 106.96 3hwk n GLY 173 Ca 0.02 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.06 2.53 1.28 0.99 1.43 -0.29 -5.10 118.68 117.46 3hwk s LEU 174 Ca 0.37 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 3hwk s LEU 174 Cb 0.21 -1.50 0.32 0.00 0.03 0.00 0.00 46.19 45.24 3hwk s LEU 174 CO 0.36 0.30 1.07 -0.83 0.23 0.00 0.00 176.35 177.48 3hwk s GLY 175 N -0.46 1.54 0.11 -3.19 0.00 -1.26 -4.63 107.32 99.44 3hwk s GLY 175 Ca 0.05 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 3hwk s GLY 175 CO 0.02 -0.04 1.74 -1.82 0.00 0.00 0.00 173.10 173.00 3hwk h TYR 176 N -2.86 0.24 -0.15 1.90 5.03 -1.98 0.56 116.97 119.70 3hwk h TYR 176 Ca -0.43 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 60.81 3hwk h TYR 176 Cb 1.30 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.50 3hwk h TYR 176 CO -2.70 0.18 -0.17 0.00 -1.32 0.00 0.00 178.16 174.15 3hwk h ALA 177 N 1.04 0.23 -0.78 1.82 0.00 -1.96 -2.48 119.26 117.13 3hwk h ALA 177 Ca 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3hwk h ALA 177 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hwk h ALA 177 CO -0.01 0.14 0.28 1.96 0.00 0.00 0.00 179.25 181.61 3hwk h GLN 178 N 0.02 1.18 -0.34 0.00 4.20 -1.90 -3.07 115.11 115.21 3hwk h GLN 178 Ca 0.02 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 3hwk h GLN 178 Cb 0.72 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3hwk h GLN 178 CO 0.04 0.98 0.09 -0.97 -0.67 0.00 0.00 178.83 178.30 3hwk h ASN 179 N 1.14 0.51 -0.57 1.46 -1.24 -0.80 -1.26 115.58 114.82 3hwk h ASN 179 Ca 0.25 -0.23 0.02 0.00 0.71 0.00 0.00 56.30 57.06 3hwk h ASN 179 Cb 0.27 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 3hwk h ASN 179 CO -0.01 0.60 0.36 0.15 -1.29 0.00 0.00 177.43 177.24 3hwk h PHE 180 N 0.39 0.68 -0.75 0.67 3.04 -1.45 0.18 116.94 119.70 3hwk h PHE 180 Ca 0.11 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.02 3hwk h PHE 180 Cb 0.29 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 3hwk h PHE 180 CO 0.01 0.40 0.24 -0.07 -2.02 0.00 0.00 178.31 176.87 3hwk h LEU 181 N 0.72 1.09 -0.31 0.59 3.38 -1.42 -1.10 115.31 118.25 3hwk h LEU 181 Ca 0.22 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 181 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3hwk h LEU 181 CO -0.08 1.00 0.19 -0.74 0.09 0.00 0.00 178.44 178.90 3hwk h HIS 182 N 1.11 0.41 0.00 1.13 2.76 -0.84 -0.44 115.15 119.28 3hwk h HIS 182 Ca 0.24 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 3hwk h HIS 182 Cb 0.30 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3hwk h HIS 182 CO 0.03 0.31 -0.24 0.52 -1.30 0.00 0.00 177.93 177.24 3hwk h MET 183 N 0.40 0.00 0.07 5.26 2.86 -0.32 0.20 114.93 123.40 3hwk h MET 183 Ca 0.11 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.53 3hwk h MET 183 Cb 0.01 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.70 3hwk h MET 183 CO -0.02 0.24 -0.91 0.00 1.06 0.00 0.00 176.91 177.28 3hwk n PHE 185 N -4.02 0.00 -1.07 0.00 3.72 -0.19 -4.90 117.46 111.00 3hwk n PHE 185 Ca -0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 3hwk n PHE 185 Cb 0.83 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.36 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 1.23 0.58 3.17 1.37 0.00 0.68 -5.01 105.19 107.21 3hwk n GLY 186 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3hwk n GLY 186 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hwk s GLU 187 N -1.77 0.74 -0.38 1.61 -1.05 -1.26 -5.02 118.70 111.57 3hwk s GLU 187 Ca 0.00 -0.94 -0.13 0.00 -0.15 0.00 0.00 54.97 53.75 3hwk s GLU 187 Cb 0.00 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3hwk s GLU 187 CO 0.00 -0.21 0.25 0.08 0.95 0.00 0.00 175.26 176.34 3hwk s VAL 188 N -3.52 5.09 0.33 1.83 1.01 -1.26 -2.98 120.40 120.90 3hwk s VAL 188 Ca 0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hwk s VAL 188 Cb 0.04 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.74 3hwk s VAL 188 CO -0.09 -0.18 0.42 -0.81 0.00 0.00 0.00 175.10 174.45 3hwk n PRO 189 N 5.10 -0.59 -1.53 2.72 -0.04 -1.26 -4.97 135.00 134.44 3hwk n PRO 189 Ca -0.12 -0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 62.26 3hwk n PRO 189 Cb 0.48 -0.46 -0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 -2.00 0.94 -0.30 0.54 4.71 -1.26 -4.65 120.64 118.61 3hwk n GLU 190 Ca 0.05 0.33 0.12 0.00 -0.01 0.00 0.00 57.16 57.66 3hwk n GLU 190 Cb 0.19 -1.69 0.29 0.00 -1.01 0.00 0.00 31.44 29.22 3hwk n GLU 190 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3hwk h THR 191 N 1.35 0.49 -0.49 2.62 2.02 -1.99 0.53 112.91 117.43 3hwk h THR 191 Ca -0.40 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3hwk h THR 191 Cb 1.37 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3hwk h THR 191 CO 0.56 0.07 0.27 0.00 0.37 0.00 0.00 175.52 176.79 3hwk h ALA 192 N 1.70 1.55 -0.00 6.16 0.00 -1.94 0.54 119.26 127.26 3hwk h ALA 192 Ca 0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 3hwk h ALA 192 Cb 1.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hwk h ALA 192 CO -0.52 0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.38 3hwk h VAL 193 N 0.68 1.46 -0.06 0.00 2.07 -1.26 -1.65 116.25 117.49 3hwk h VAL 193 Ca 0.18 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.35 3hwk h VAL 193 Cb 0.01 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3hwk h VAL 193 CO -0.03 0.35 -0.01 0.58 0.02 0.00 0.00 177.57 178.48 3hwk h VAL 194 N -0.56 0.94 -0.67 2.57 2.07 -1.08 -0.51 116.25 119.00 3hwk h VAL 194 Ca 0.00 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hwk h VAL 194 Cb 0.58 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3hwk h VAL 194 CO 0.00 0.00 0.40 -1.28 0.02 0.00 0.00 177.57 176.71 3hwk h SER 195 N 0.00 0.62 -0.53 0.57 0.87 -0.97 -0.73 113.55 113.38 3hwk h SER 195 Ca 0.03 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3hwk h SER 195 Cb 0.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3hwk h SER 195 CO -0.06 0.41 -0.01 0.00 -0.53 0.00 0.00 176.83 176.64 3hwk h ALA 196 N 1.32 0.92 -0.48 6.23 0.00 -1.00 -1.62 119.26 124.64 3hwk h ALA 196 Ca 0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 196 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hwk h ALA 196 CO -0.15 0.64 0.15 0.35 0.00 0.00 0.00 179.25 180.25 3hwk h PHE 197 N 0.89 0.78 -0.50 0.00 3.57 -0.73 -1.47 116.94 119.48 3hwk h PHE 197 Ca 0.16 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3hwk h PHE 197 Cb 0.54 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3hwk h PHE 197 CO 0.03 0.68 0.07 1.49 -2.23 0.00 0.00 178.31 178.35 3hwk h GLU 198 N 0.65 0.83 -0.91 1.11 4.81 -0.98 -1.91 114.58 118.18 3hwk h GLU 198 Ca 0.16 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3hwk h GLU 198 Cb 0.27 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3hwk h GLU 198 CO -0.01 0.84 0.58 1.96 -0.73 0.00 0.00 179.01 181.65 3hwk h GLN 199 N 0.71 1.21 -0.95 1.92 4.20 -1.25 -0.43 115.11 120.52 3hwk h GLN 199 Ca 0.15 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hwk h GLN 199 Cb 0.41 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3hwk h GLN 199 CO 0.01 0.82 0.63 1.03 -0.67 0.00 0.00 178.83 180.64 3hwk h SER 200 N 1.23 1.08 -0.69 1.46 0.87 -0.92 0.10 113.55 116.69 3hwk h SER 200 Ca 0.33 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 3hwk h SER 200 Cb -0.11 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.55 3hwk h SER 200 CO -0.07 0.78 0.13 0.24 -0.53 0.00 0.00 176.83 177.38 3hwk h MET 201 N 1.28 1.13 -0.25 2.24 2.86 -0.65 0.06 114.93 121.59 3hwk h MET 201 Ca 0.35 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3hwk h MET 201 Cb -0.14 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 3hwk h MET 201 CO -0.08 1.02 0.09 0.82 1.06 0.00 0.00 176.91 179.83 3hwk h ILE 202 N 1.06 1.18 -0.12 -1.22 2.04 -0.66 -2.95 117.51 116.84 3hwk h ILE 202 Ca 0.21 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 3hwk h ILE 202 Cb 0.43 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3hwk h ILE 202 CO 0.01 0.18 -0.30 -0.07 0.00 0.00 0.00 178.15 177.97 3hwk h LEU 203 N 0.25 0.23 -0.48 1.44 3.38 -0.52 -2.80 115.31 116.81 3hwk h LEU 203 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 203 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hwk h LEU 203 CO -0.01 0.53 -0.13 -1.22 0.09 0.00 0.00 178.44 177.70 3hwk n TYR 204 N -4.12 0.00 -0.35 1.13 4.01 -0.02 -4.56 117.16 113.25 3hwk n TYR 204 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 3hwk n TYR 204 Cb 0.40 -0.11 0.10 0.00 -0.31 0.00 0.00 39.34 39.42 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 3.84 1.20 -2.33 -0.72 0.00 -1.31 -3.35 119.26 116.59 3hwk h ALA 205 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 205 Cb 0.42 -0.38 -0.23 0.00 0.00 0.00 0.00 17.79 17.60 3hwk h ALA 205 CO 0.00 0.66 -0.09 -2.00 0.00 0.00 0.00 179.25 177.82 3hwk s GLU 206 N -5.96 0.61 -0.38 0.00 2.56 -1.26 -1.64 118.70 112.64 3hwk s GLU 206 Ca -0.13 0.90 0.12 0.00 0.00 0.00 0.00 54.97 55.86 3hwk s GLU 206 Cb 0.17 0.20 0.40 0.00 2.00 0.00 0.00 34.13 36.90 3hwk s GLU 206 CO 0.82 -0.12 1.18 1.58 -0.56 0.00 0.00 175.26 178.17 3hwk n HIS 207 N 3.51 -1.23 -4.87 5.30 -0.00 -1.26 -5.06 115.22 111.60 3hwk n HIS 207 Ca -0.17 -2.31 0.00 0.00 0.46 0.00 0.00 57.72 55.69 3hwk n HIS 207 Cb 0.57 0.88 0.00 0.00 -0.12 0.00 0.00 29.99 31.31 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 -0.30 1.24 2.50 1.57 0.00 -1.26 -3.48 105.19 105.44 3hwk n GLY 208 Ca 0.03 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 2.86 2.03 -0.83 1.61 3.01 -1.26 -4.76 117.46 120.12 3hwk n PHE 209 Ca 0.00 -2.31 -0.29 0.00 1.01 0.00 0.00 57.45 55.86 3hwk n PHE 209 Cb 0.00 -1.55 0.20 0.00 -0.01 0.00 0.00 39.48 38.12 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 0.30 2.16 0.29 4.37 2.20 -1.23 -4.63 114.94 118.41 3hwk s ASN 210 Ca 0.56 1.58 0.02 0.00 -0.94 0.00 0.00 52.86 54.08 3hwk s ASN 210 Cb 0.30 -2.25 0.56 0.00 -2.00 0.00 0.00 41.25 37.86 3hwk s ASN 210 CO -0.17 -3.48 1.85 0.00 -2.94 0.00 0.00 177.10 172.36 3hwk h ALA 211 N -2.13 1.53 0.09 3.54 0.00 -1.95 0.19 119.26 120.53 3hwk h ALA 211 Ca -0.54 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 3hwk h ALA 211 Cb 1.31 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hwk h ALA 211 CO 0.51 0.23 -1.03 0.66 0.00 0.00 0.00 179.25 179.62 3hwk h SER 212 N 0.99 0.76 -0.61 0.00 4.64 -1.89 0.80 113.55 118.25 3hwk h SER 212 Ca 0.48 -0.82 0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3hwk h SER 212 Cb 0.46 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 3hwk h SER 212 CO -0.25 1.49 0.33 0.74 -0.87 0.00 0.00 176.83 178.28 3hwk h THR 213 N 0.12 0.97 -0.09 2.95 2.02 -1.78 -1.31 112.91 115.78 3hwk h THR 213 Ca -0.15 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3hwk h THR 213 Cb 1.73 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3hwk h THR 213 CO 0.20 0.11 0.04 0.15 0.37 0.00 0.00 175.52 176.39 3hwk h PHE 214 N 0.63 0.15 -0.87 3.16 3.57 -0.86 -1.30 116.94 121.41 3hwk h PHE 214 Ca 0.27 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.95 3hwk h PHE 214 Cb 0.15 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.73 3hwk h PHE 214 CO -0.08 0.26 0.39 0.00 -2.23 0.00 0.00 178.31 176.65 3hwk h ALA 215 N 0.87 1.35 -0.60 2.41 0.00 -0.65 0.28 119.26 122.92 3hwk h ALA 215 Ca 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hwk h ALA 215 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hwk h ALA 215 CO -0.00 -0.26 0.23 0.00 0.00 0.00 0.00 179.25 179.22 3hwk h ALA 216 N 1.65 0.78 -0.29 0.00 0.00 -0.66 -1.72 119.26 119.03 3hwk h ALA 216 Ca 0.52 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 3hwk h ALA 216 Cb 0.91 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hwk h ALA 216 CO -0.47 0.41 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 3hwk h ARG 217 N 0.84 0.60 -0.07 0.00 3.08 -0.02 0.28 114.38 119.08 3hwk h ARG 217 Ca 0.20 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hwk h ARG 217 Cb 0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hwk h ARG 217 CO -0.02 0.84 0.03 0.28 -1.07 0.00 0.00 179.97 180.03 3hwk h VAL 218 N 0.51 1.11 -0.90 2.04 2.07 -0.33 -0.34 116.25 120.42 3hwk h VAL 218 Ca 0.06 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hwk h VAL 218 Cb 0.78 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3hwk h VAL 218 CO 0.06 0.09 0.55 0.58 0.02 0.00 0.00 177.57 178.87 3hwk h VAL 219 N -0.01 1.25 0.00 2.57 2.07 -1.12 -1.85 116.25 119.16 3hwk h VAL 219 Ca 0.02 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3hwk h VAL 219 Cb 0.12 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3hwk h VAL 219 CO -0.00 0.26 -0.28 0.74 0.02 0.00 0.00 177.57 178.30 3hwk h THR 220 N 1.24 1.05 0.00 2.57 2.02 -0.73 -3.11 112.91 115.95 3hwk h THR 220 Ca 0.32 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 3hwk h THR 220 Cb -0.06 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3hwk h THR 220 CO -0.06 0.27 -0.06 0.77 0.37 0.00 0.00 175.52 176.81 3hwk h SER 221 N 0.00 0.00 0.04 4.18 4.64 -0.17 0.86 113.55 123.09 3hwk h SER 221 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwk h SER 221 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3hwk h SER 221 CO 0.04 0.06 -0.01 0.35 -0.87 0.00 0.00 176.83 176.39 3hwk n THR 222 N -3.60 0.00 -1.35 2.95 -2.24 -1.18 -3.89 114.28 104.96 3hwk n THR 222 Ca -0.02 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 3hwk n THR 222 Cb 0.17 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.59 -0.37 -1.46 -0.78 6.02 0.29 -5.06 117.38 115.44 3hwk n GLN 223 Ca 0.21 0.59 -0.29 0.00 -0.01 0.00 0.00 57.00 57.50 3hwk n GLN 223 Cb 0.21 -4.32 0.13 0.00 1.02 0.00 0.00 30.24 27.28 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 -2.91 3.70 0.61 1.08 0.15 -1.23 -5.04 113.70 110.07 3hwk s SER 224 Ca 0.00 1.15 -0.09 0.00 0.70 0.00 0.00 55.95 57.71 3hwk s SER 224 Cb 0.00 -1.80 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 3hwk s SER 224 CO 0.00 -2.45 0.97 1.51 1.20 0.00 0.00 173.24 174.47 3hwk s ASP 225 N -3.86 5.86 0.41 5.45 -4.77 -1.26 -4.67 116.67 113.84 3hwk s ASP 225 Ca 0.63 1.07 0.09 0.00 -3.30 0.00 0.00 52.55 51.03 3hwk s ASP 225 Cb -0.15 -2.09 0.89 0.00 -1.09 0.00 0.00 42.92 40.48 3hwk s ASP 225 CO 0.54 -0.99 2.03 -0.29 0.70 0.00 0.00 175.17 177.17 3hwk h ILE 226 N -0.27 1.05 -0.33 2.11 2.10 -1.97 -1.21 117.51 118.99 3hwk h ILE 226 Ca -0.45 -0.19 -0.10 0.00 1.08 0.00 0.00 64.86 65.20 3hwk h ILE 226 Cb 1.23 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 3hwk h ILE 226 CO 0.62 0.10 -0.20 1.88 -1.08 0.00 0.00 178.15 179.47 3hwk h TYR 227 N 0.54 0.84 -0.43 2.19 0.05 -1.94 -0.81 116.97 117.40 3hwk h TYR 227 Ca 0.19 -0.22 0.06 0.00 0.05 0.00 0.00 58.73 58.81 3hwk h TYR 227 Cb 0.10 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 3hwk h TYR 227 CO -0.00 0.95 0.14 0.77 -1.05 0.00 0.00 178.16 178.97 3hwk h SER 228 N 0.49 0.13 -0.53 3.88 0.02 -1.76 -0.23 113.55 115.55 3hwk h SER 228 Ca 0.07 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3hwk h SER 228 Cb 0.75 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 3hwk h SER 228 CO 0.06 0.11 0.33 0.00 -1.14 0.00 0.00 176.83 176.19 3hwk h ALA 229 N 1.29 0.67 -0.36 3.77 0.00 -1.09 -1.73 119.26 121.82 3hwk h ALA 229 Ca 0.20 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3hwk h ALA 229 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hwk h ALA 229 CO -0.22 0.14 -0.27 0.28 0.00 0.00 0.00 179.25 179.18 3hwk h VAL 230 N 0.71 1.29 -0.75 0.00 2.07 -0.91 -0.35 116.25 118.30 3hwk h VAL 230 Ca 0.19 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.32 3hwk h VAL 230 Cb -0.04 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3hwk h VAL 230 CO -0.04 0.47 0.46 0.74 0.02 0.00 0.00 177.57 179.23 3hwk h THR 231 N 0.60 1.07 -0.02 2.57 2.02 -0.89 0.35 112.91 118.62 3hwk h THR 231 Ca 0.07 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3hwk h THR 231 Cb 0.84 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3hwk h THR 231 CO 0.07 0.16 0.01 1.23 0.37 0.00 0.00 175.52 177.36 3hwk h GLY 232 N 0.89 0.03 0.14 2.16 0.00 -1.09 -2.05 103.07 103.15 3hwk h GLY 232 Ca 0.31 -0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.80 3hwk h GLY 232 CO -0.13 0.02 0.55 0.00 0.00 0.00 0.00 176.54 176.97 3hwk h ALA 233 N 0.89 1.53 -0.28 3.60 0.00 -0.58 -1.75 119.26 122.66 3hwk h ALA 233 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hwk h ALA 233 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hwk h ALA 233 CO -0.00 -0.07 0.08 0.82 0.00 0.00 0.00 179.25 180.07 3hwk h ILE 234 N 0.71 1.21 -0.58 0.00 2.04 -0.75 0.14 117.51 120.27 3hwk h ILE 234 Ca 0.54 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.82 3hwk h ILE 234 Cb 0.82 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 3hwk h ILE 234 CO -0.38 0.22 0.17 1.23 0.00 0.00 0.00 178.15 179.39 3hwk h GLY 235 N 0.28 0.78 0.93 5.37 0.00 -0.82 -2.26 103.07 107.36 3hwk h GLY 235 Ca 0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3hwk h GLY 235 CO -0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 176.54 176.11 3hwk h ALA 236 N 1.43 0.33 -0.78 3.60 0.00 -0.90 -3.02 119.26 119.92 3hwk h ALA 236 Ca 0.30 -0.44 0.18 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 236 Cb 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hwk h ALA 236 CO -0.34 0.40 0.53 1.25 0.00 0.00 0.00 179.25 181.08 3hwk h LEU 237 N 0.30 0.30 -1.34 0.00 5.85 -0.43 -2.94 115.31 117.07 3hwk h LEU 237 Ca 0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3hwk h LEU 237 Cb 0.96 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hwk h LEU 237 CO 0.08 0.14 0.03 0.50 -0.34 0.00 0.00 178.44 178.86 3hwk h LYS 238 N 0.32 0.48 -7.04 1.25 3.64 -1.28 -0.53 116.57 113.40 3hwk h LYS 238 Ca 0.39 -0.09 -0.55 0.00 -1.27 0.00 0.00 60.65 59.13 3hwk h LYS 238 Cb 1.05 -0.08 0.14 0.00 -0.41 0.00 0.00 32.23 32.94 3hwk h LYS 238 CO -0.11 0.48 0.59 0.41 -2.27 0.00 0.00 179.45 178.55 3hwk n GLY 239 N -1.01 0.74 0.14 5.01 0.00 -1.11 -3.20 105.19 105.76 3hwk n GLY 239 Ca 0.01 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3hwk n GLY 239 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hwk n ARG 240 N -1.13 0.16 0.00 1.61 1.85 -1.26 -1.05 116.66 116.84 3hwk n ARG 240 Ca 0.11 0.54 0.13 0.00 -1.00 0.00 0.00 57.85 57.63 3hwk n ARG 240 Cb 0.45 -1.91 0.38 0.00 -1.05 0.00 0.00 32.46 30.34 3hwk n ARG 240 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3hwk n LEU 241 N -2.22 1.09 0.00 2.89 4.77 -1.26 -3.45 117.00 118.81 3hwk n LEU 241 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3hwk n LEU 241 Cb 0.12 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hwk n LEU 241 CO 0.14 0.20 0.00 1.57 -1.33 0.00 0.00 177.39 177.97 3hwk n HIS 242 N -0.56 0.00 0.29 -1.77 -0.00 -0.21 -4.96 115.22 108.01 3hwk n HIS 242 Ca 0.13 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.49 3hwk n HIS 242 Cb 0.35 0.00 0.85 0.00 -0.12 0.00 0.00 29.99 31.08 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 1.98 1.57 0.00 -1.14 -2.34 103.07 103.13 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 -0.40 -0.56 0.27 4.60 0.00 -0.38 -2.60 105.19 106.12 3hwk n GLY 244 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 2.07 0.82 -0.66 4.61 0.00 -1.44 -2.50 119.26 122.15 3hwk h ALA 245 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3hwk h ALA 245 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hwk h ALA 245 CO 0.00 0.64 0.41 -2.95 0.00 0.00 0.00 179.25 177.36 3hwk h ASN 246 N 0.70 0.68 0.39 0.00 7.08 -1.71 0.54 115.58 123.27 3hwk h ASN 246 Ca 0.09 -0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.29 3hwk h ASN 246 Cb 0.77 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.87 3hwk h ASN 246 CO 0.06 0.47 -0.19 -0.08 -2.08 0.00 0.00 177.43 175.62 3hwk h GLU 247 N 0.81 -0.51 -0.29 4.14 4.81 -1.76 -3.09 114.58 118.70 3hwk h GLU 247 Ca 0.26 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3hwk h GLU 247 Cb 0.01 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3hwk h GLU 247 CO -0.10 -0.33 0.06 0.00 -0.73 0.00 0.00 179.01 177.91 3hwk h ALA 248 N 0.06 1.57 -0.98 2.92 0.00 -1.01 -1.16 119.26 120.67 3hwk h ALA 248 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hwk h ALA 248 Cb 0.42 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hwk h ALA 248 CO 0.09 0.32 0.64 0.28 0.00 0.00 0.00 179.25 180.58 3hwk h VAL 249 N 0.41 1.20 -0.15 0.00 2.07 -0.90 -0.75 116.25 118.13 3hwk h VAL 249 Ca 0.10 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 3hwk h VAL 249 Cb 0.18 -0.18 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3hwk h VAL 249 CO -0.00 0.23 -0.66 -0.03 0.02 0.00 0.00 177.57 177.13 3hwk h MET 250 N 1.27 0.71 -0.80 1.57 -1.53 -1.16 -0.30 114.93 114.68 3hwk h MET 250 Ca 0.38 -0.56 0.07 0.00 -3.44 0.00 0.00 59.70 56.15 3hwk h MET 250 Cb -0.05 0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 31.05 3hwk h MET 250 CO -0.11 1.18 0.47 0.45 0.14 0.00 0.00 176.91 179.04 3hwk h HIS 251 N 0.40 0.87 0.08 1.39 3.86 -1.07 -1.09 115.15 119.59 3hwk h HIS 251 Ca -0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3hwk h HIS 251 Cb 1.29 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 3hwk h HIS 251 CO 0.10 0.41 -0.05 -0.44 0.86 0.00 0.00 177.93 178.81 3hwk h ASP 252 N 0.84 -0.13 -0.85 2.45 3.32 -1.00 -0.81 116.42 120.24 3hwk h ASP 252 Ca 0.36 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.50 3hwk h ASP 252 Cb 0.23 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 3hwk h ASP 252 CO -0.20 -0.08 0.51 0.24 -1.72 0.00 0.00 179.24 177.99 3hwk h MET 253 N -0.13 0.87 -0.44 3.56 2.86 -0.63 0.26 114.93 121.28 3hwk h MET 253 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3hwk h MET 253 Cb 0.11 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3hwk h MET 253 CO 0.00 0.58 0.12 0.82 1.06 0.00 0.00 176.91 179.49 3hwk h ILE 254 N 0.90 1.23 -0.85 -1.22 2.04 -0.91 -1.60 117.51 117.10 3hwk h ILE 254 Ca 0.39 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.54 3hwk h ILE 254 Cb 0.27 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3hwk h ILE 254 CO -0.21 0.28 0.52 -0.08 0.00 0.00 0.00 178.15 178.66 3hwk h GLU 255 N 0.58 0.92 -0.46 2.37 4.81 -0.61 -2.78 114.58 119.41 3hwk h GLU 255 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3hwk h GLU 255 Cb 0.30 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3hwk h GLU 255 CO -0.00 0.61 0.23 0.82 -0.73 0.00 0.00 179.01 179.94 3hwk h ILE 256 N 0.95 1.18 0.00 2.32 2.04 -0.52 -3.46 117.51 120.01 3hwk h ILE 256 Ca 0.38 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3hwk h ILE 256 Cb 0.19 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3hwk h ILE 256 CO -0.18 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.78 3hwk n GLY 257 N -0.93 1.46 3.00 5.37 0.00 -0.64 -4.61 105.19 108.84 3hwk n GLY 257 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.17 0.40 1.61 3.68 -1.26 -5.04 116.67 115.89 3hwk s ASP 258 Ca 0.00 0.36 0.23 0.00 2.13 0.00 0.00 52.55 55.28 3hwk s ASP 258 Cb 0.00 0.30 1.26 0.00 -1.45 0.00 0.00 42.92 43.03 3hwk s ASP 258 CO 0.00 -0.12 1.67 1.55 0.13 0.00 0.00 175.17 178.41 3hwk h PRO 259 N 6.68 0.21 0.00 4.34 0.13 -1.87 -0.07 132.00 141.43 3hwk h PRO 259 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3hwk h PRO 259 Cb 1.17 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3hwk h PRO 259 CO 0.40 0.14 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 3hwk h ALA 260 N 1.67 1.00 -0.00 -0.56 0.00 -1.96 -1.99 119.26 117.42 3hwk h ALA 260 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.65 3hwk h ALA 260 Cb 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3hwk h ALA 260 CO -0.44 0.00 -0.32 0.09 0.00 0.00 0.00 179.25 178.59 3hwk n ASN 261 N -2.64 0.53 0.09 0.00 3.02 -0.04 -4.56 115.26 111.65 3hwk n ASN 261 Ca 0.00 -0.33 -0.13 0.00 -0.03 0.00 0.00 54.58 54.09 3hwk n ASN 261 Cb 0.19 0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 3hwk n ASN 261 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hwk h ALA 262 N 3.24 -0.16 -0.38 5.41 0.00 -1.45 -2.18 119.26 123.75 3hwk h ALA 262 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hwk h ALA 262 Cb 0.48 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3hwk h ALA 262 CO 0.00 -0.54 -0.13 -0.09 0.00 0.00 0.00 179.25 178.49 3hwk h ARG 263 N -0.26 -0.05 -0.32 0.00 2.43 -1.80 -0.84 114.38 113.53 3hwk h ARG 263 Ca -0.02 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 3hwk h ARG 263 Cb 0.21 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3hwk h ARG 263 CO 0.03 -0.03 -0.36 1.49 -1.51 0.00 0.00 179.97 179.58 3hwk h GLU 264 N -0.05 0.73 -0.19 0.20 4.57 -1.86 -1.83 114.58 116.15 3hwk h GLU 264 Ca 0.19 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3hwk h GLU 264 Cb 0.34 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3hwk h GLU 264 CO -0.42 0.98 0.12 2.35 -1.18 0.00 0.00 179.01 180.86 3hwk h TRP 265 N 0.61 0.25 -0.16 0.92 7.01 -0.85 -2.25 115.95 121.49 3hwk h TRP 265 Ca 0.06 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 3hwk h TRP 265 Cb 0.89 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.87 3hwk h TRP 265 CO 0.05 0.20 -0.04 1.25 -2.79 0.00 0.00 178.44 177.11 3hwk h LEU 266 N 0.23 0.31 -1.00 0.65 5.85 -1.11 -3.01 115.31 117.22 3hwk h LEU 266 Ca 0.07 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 3hwk h LEU 266 Cb 0.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hwk h LEU 266 CO -0.01 0.60 -0.18 0.03 -0.34 0.00 0.00 178.44 178.54 3hwk h ARG 267 N 0.01 0.51 -0.97 1.25 3.08 -1.34 0.65 114.38 117.57 3hwk h ARG 267 Ca 0.04 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.95 3hwk h ARG 267 Cb 0.47 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3hwk h ARG 267 CO 0.02 0.67 0.64 0.00 -1.07 0.00 0.00 179.97 180.22 3hwk h ALA 268 N 1.35 1.26 -0.08 0.04 0.00 -1.42 0.64 119.26 121.05 3hwk h ALA 268 Ca 0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3hwk h ALA 268 Cb 0.58 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hwk h ALA 268 CO 0.04 0.57 -0.80 0.87 0.00 0.00 0.00 179.25 179.92 3hwk h LYS 269 N 1.27 0.68 -0.34 0.00 1.57 -1.28 -2.91 116.57 115.56 3hwk h LYS 269 Ca 0.37 -0.63 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 3hwk h LYS 269 Cb -0.07 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hwk h LYS 269 CO -0.10 1.23 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.80 3hwk h LEU 270 N 0.36 0.59 -0.96 2.94 3.38 -0.73 -0.57 115.31 120.32 3hwk h LEU 270 Ca -0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hwk h LEU 270 Cb 1.45 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 3hwk h LEU 270 CO 0.16 0.76 0.63 0.00 0.09 0.00 0.00 178.44 180.08 3hwk h ALA 271 N 1.30 1.22 0.00 1.53 0.00 -0.90 -0.92 119.26 121.49 3hwk h ALA 271 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hwk h ALA 271 Cb 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hwk h ALA 271 CO 0.04 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.43 3hwk n ARG 272 N -4.42 0.77 -2.33 0.00 1.74 -1.01 -4.90 116.66 106.51 3hwk n ARG 272 Ca 0.11 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.02 3hwk n ARG 272 Cb 0.02 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3hwk n ARG 272 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hwk n LYS 273 N -0.81 -1.87 -2.71 5.56 5.02 -0.35 -5.00 118.16 118.01 3hwk n LYS 273 Ca 0.11 0.85 -0.34 0.00 -2.02 0.00 0.00 58.31 56.91 3hwk n LYS 273 Cb 0.05 -5.46 -0.06 0.00 -0.02 0.00 0.00 35.03 29.55 3hwk n LYS 273 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hwk s GLU 274 N -4.89 4.18 0.41 1.97 2.02 -0.26 -4.99 118.70 117.14 3hwk s GLU 274 Ca 0.00 1.27 -0.23 0.00 0.02 0.00 0.00 54.97 56.03 3hwk s GLU 274 Cb 0.00 -2.32 -0.09 0.00 0.10 0.00 0.00 34.13 31.82 3hwk s GLU 274 CO 0.00 -0.09 1.02 -1.59 0.02 0.00 0.00 175.26 174.63 3hwk s LYS 275 N -2.90 4.14 -0.23 1.61 0.00 -1.26 -4.55 119.74 116.55 3hwk s LYS 275 Ca 0.61 1.41 -0.06 0.00 0.00 0.00 0.00 55.97 57.93 3hwk s LYS 275 Cb -0.14 -2.43 -0.02 0.00 0.00 0.00 0.00 37.83 35.23 3hwk s LYS 275 CO 0.19 -0.15 0.03 0.42 0.00 0.00 0.00 175.35 175.84 3hwk s ILE 276 N -1.79 4.05 0.33 3.79 -1.09 -1.26 -5.06 121.20 120.17 3hwk s ILE 276 Ca 0.60 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 3hwk s ILE 276 Cb -0.19 -2.87 -0.10 0.00 -1.58 0.00 0.00 42.46 37.72 3hwk s ILE 276 CO 0.24 0.39 1.33 -0.04 -1.23 0.00 0.00 174.94 175.62 3hwk s MET 277 N 1.34 4.34 0.00 2.79 -1.94 -1.26 -2.69 119.30 121.88 3hwk s MET 277 Ca 0.05 2.24 0.00 0.00 -1.71 0.00 0.00 55.69 56.27 3hwk s MET 277 Cb -0.15 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.63 3hwk s MET 277 CO 0.02 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 3hwk n GLY 278 N 0.87 0.74 2.96 -0.03 0.00 -1.26 -4.78 105.19 103.70 3hwk n GLY 278 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.63 1.15 0.00 1.61 0.40 -1.09 -0.26 117.98 117.15 3hwk s PHE 279 Ca 0.00 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3hwk s PHE 279 Cb 0.00 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.63 3hwk s PHE 279 CO 0.00 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.08 3hwk n GLY 280 N 3.99 2.84 3.61 4.36 0.00 -1.19 -4.74 105.19 114.05 3hwk n GLY 280 Ca -0.23 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.12 -0.50 0.31 1.61 2.46 -1.26 -4.71 115.29 111.07 3hwk s HIS 281 Ca 0.00 1.11 0.09 0.00 0.47 0.00 0.00 55.06 56.73 3hwk s HIS 281 Cb 0.00 0.38 0.50 0.00 -0.13 0.00 0.00 32.58 33.33 3hwk s HIS 281 CO 0.00 -0.31 1.71 -0.09 -2.47 0.00 0.00 174.74 173.58 3hwk h ARG 282 N 3.76 0.14 0.00 2.88 9.65 -2.00 -3.40 114.38 125.40 3hwk h ARG 282 Ca -0.26 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.42 3hwk h ARG 282 Cb 1.17 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 3hwk h ARG 282 CO 0.18 0.56 -1.29 0.28 2.80 0.00 0.00 179.97 182.49 3hwk n VAL 283 N -4.00 1.30 -2.26 0.20 0.31 -1.26 -4.99 118.33 107.63 3hwk n VAL 283 Ca -0.02 0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3hwk n VAL 283 Cb 0.49 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.55 3.30 0.00 3.52 2.02 -1.26 -4.90 117.35 117.48 3hwk s TYR 284 Ca -0.24 1.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.72 3hwk s TYR 284 Cb 0.06 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 3hwk s TYR 284 CO 0.33 -1.72 0.00 0.54 -1.57 0.00 0.00 175.55 173.13 3hwk n ARG 285 N 2.68 0.92 -0.67 -0.62 5.12 -1.26 -4.53 116.66 118.30 3hwk n ARG 285 Ca 0.06 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.03 3hwk n ARG 285 Cb 0.43 -0.92 0.10 0.00 -1.16 0.00 0.00 32.46 30.91 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 -1.31 0.00 0.00 -1.55 8.25 -1.26 -4.92 115.22 114.42 3hwk n HIS 286 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.67 3hwk n HIS 286 Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3hwk n HIS 286 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwk n GLY 287 N -0.54 3.56 3.68 -1.41 0.00 -1.26 -5.04 105.19 104.17 3hwk n GLY 287 Ca 0.11 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 7.03 0.33 1.61 -1.08 -1.26 -4.86 116.67 118.44 3hwk s ASP 288 Ca 0.00 1.71 0.20 0.00 -0.52 0.00 0.00 52.55 53.94 3hwk s ASP 288 Cb 0.00 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.97 3hwk s ASP 288 CO 0.00 -0.64 1.57 -1.54 0.52 0.00 0.00 175.17 175.08 3hwk n SER 289 N 5.77 0.51 -0.01 -0.34 3.41 -1.26 -2.26 113.62 119.43 3hwk n SER 289 Ca 0.12 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.54 3hwk n SER 289 Cb 0.46 -0.75 -0.16 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.21 0.63 -0.17 4.33 1.74 -1.26 -4.59 116.66 115.12 3hwk n ARG 290 Ca -0.01 -0.19 -0.07 0.00 -0.77 0.00 0.00 57.85 56.81 3hwk n ARG 290 Cb 0.11 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.15 -0.61 1.55 2.07 -1.82 -2.78 116.25 115.81 3hwk h VAL 291 Ca -0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3hwk h VAL 291 Cb 0.97 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3hwk h VAL 291 CO 0.00 0.15 0.36 -0.65 0.02 0.00 0.00 177.57 177.45 3hwk h PRO 292 N 0.69 0.84 -0.60 1.57 0.11 -1.81 0.28 132.00 133.08 3hwk h PRO 292 Ca 0.18 -0.08 0.07 0.00 0.11 0.00 0.00 66.00 66.28 3hwk h PRO 292 Cb -0.03 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 30.85 3hwk h PRO 292 CO -0.04 0.62 0.28 1.15 -0.21 0.00 0.00 178.00 179.80 3hwk h THR 293 N 0.83 0.88 -0.01 -1.15 2.02 -1.83 -1.98 112.91 111.66 3hwk h THR 293 Ca 0.22 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 67.03 3hwk h THR 293 Cb 0.00 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3hwk h THR 293 CO -0.04 0.09 -0.83 -0.03 0.37 0.00 0.00 175.52 175.09 3hwk h MET 294 N 0.52 0.20 -0.62 6.66 -1.53 -1.05 -2.58 114.93 116.53 3hwk h MET 294 Ca 0.28 -0.20 -0.02 0.00 -3.44 0.00 0.00 59.70 56.32 3hwk h MET 294 Cb 0.26 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.33 3hwk h MET 294 CO -0.23 0.92 0.33 -0.22 0.14 0.00 0.00 176.91 177.85 3hwk h LYS 295 N 0.12 0.88 -0.51 0.39 3.64 -0.25 -0.03 116.57 120.80 3hwk h LYS 295 Ca -0.04 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3hwk h LYS 295 Cb 1.43 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3hwk h LYS 295 CO 0.13 0.68 0.25 0.00 -2.27 0.00 0.00 179.45 178.23 3hwk h ARG 296 N 0.85 0.73 -0.72 1.90 3.08 -1.31 -1.38 114.38 117.54 3hwk h ARG 296 Ca 0.22 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3hwk h ARG 296 Cb 0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3hwk h ARG 296 CO -0.03 0.60 0.30 0.00 -1.07 0.00 0.00 179.97 179.77 3hwk h ALA 297 N 1.09 0.93 -0.69 0.04 0.00 -1.27 -1.12 119.26 118.25 3hwk h ALA 297 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hwk h ALA 297 Cb 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hwk h ALA 297 CO -0.02 0.54 0.42 1.25 0.00 0.00 0.00 179.25 181.44 3hwk h LEU 298 N 1.02 0.69 -0.57 0.00 5.85 -0.80 -1.82 115.31 119.69 3hwk h LEU 298 Ca 0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3hwk h LEU 298 Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3hwk h LEU 298 CO -0.02 0.47 0.25 -0.33 -0.34 0.00 0.00 178.44 178.47 3hwk h GLU 299 N 0.82 0.84 -0.57 1.25 5.08 -0.72 0.20 114.58 121.49 3hwk h GLU 299 Ca 0.28 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3hwk h GLU 299 Cb 0.04 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3hwk h GLU 299 CO -0.12 0.71 0.36 0.00 -1.00 0.00 0.00 179.01 178.96 3hwk h ARG 300 N 0.77 0.71 -0.52 2.33 3.08 -0.98 -2.05 114.38 117.72 3hwk h ARG 300 Ca 0.19 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 3hwk h ARG 300 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3hwk h ARG 300 CO -0.02 0.47 -0.11 0.28 -1.07 0.00 0.00 179.97 179.52 3hwk h VAL 301 N 0.73 1.27 -0.55 2.04 2.07 -1.15 -2.91 116.25 117.75 3hwk h VAL 301 Ca 0.22 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.58 3hwk h VAL 301 Cb -0.03 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3hwk h VAL 301 CO -0.07 0.44 0.37 1.23 0.02 0.00 0.00 177.57 179.56 3hwk h GLY 302 N 0.86 0.48 1.85 2.17 0.00 -0.20 0.26 103.07 108.50 3hwk h GLY 302 Ca 0.13 -0.14 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 3hwk h GLY 302 CO 0.05 0.09 -1.07 -0.91 0.00 0.00 0.00 176.54 174.70 3hwk h THR 303 N 0.35 1.62 0.00 4.70 1.35 -1.18 0.52 112.91 120.27 3hwk h THR 303 Ca 0.25 -3.23 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 3hwk h THR 303 Cb 0.53 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3hwk h THR 303 CO -0.06 0.93 -0.54 1.33 -0.25 0.00 0.00 175.52 176.93 3hwk n VAL 304 N -3.44 0.18 -1.34 6.82 0.24 -0.93 -4.23 118.33 115.63 3hwk n VAL 304 Ca -0.03 -0.14 0.08 0.00 -2.04 0.00 0.00 64.34 62.20 3hwk n VAL 304 Cb 0.96 0.01 0.17 0.00 -1.47 0.00 0.00 33.84 33.50 3hwk n VAL 304 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hwk n ARG 305 N -1.82 1.38 -3.68 7.34 5.12 0.04 -5.01 116.66 120.04 3hwk n ARG 305 Ca 0.04 -2.87 -0.23 0.00 -1.93 0.00 0.00 57.85 52.86 3hwk n ARG 305 Cb 0.39 -1.51 0.05 0.00 -1.16 0.00 0.00 32.46 30.23 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 -1.25 -3.63 -1.57 0.55 2.03 -1.05 -4.91 116.55 106.71 3hwk n ASP 306 Ca 0.17 -0.70 0.08 0.00 0.52 0.00 0.00 54.79 54.86 3hwk n ASP 306 Cb 0.67 -4.49 0.36 0.00 -0.72 0.00 0.00 41.12 36.94 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 -1.62 3.30 0.34 0.27 0.00 0.15 -4.69 105.19 102.94 3hwk n GLY 307 Ca -0.13 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 3.34 0.64 -1.01 1.61 5.75 -1.91 0.10 115.11 123.63 3hwk h GLN 308 Ca 0.00 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 3hwk h GLN 308 Cb 1.79 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 30.12 3hwk h GLN 308 CO 0.40 0.42 0.64 -0.09 -2.65 0.00 0.00 178.83 177.55 3hwk h ARG 309 N 0.66 1.06 0.00 1.69 2.43 -1.97 0.22 114.38 118.46 3hwk h ARG 309 Ca 0.58 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.57 3hwk h ARG 309 Cb 0.97 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3hwk h ARG 309 CO -0.42 0.70 -0.75 -1.49 -1.51 0.00 0.00 179.97 176.50 3hwk h TRP 310 N 1.09 0.00 -0.56 2.20 4.06 -1.20 -2.14 115.95 119.40 3hwk h TRP 310 Ca 0.46 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.32 3hwk h TRP 310 Cb 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3hwk h TRP 310 CO -0.00 0.50 -0.01 -0.07 -3.56 0.00 0.00 178.44 175.29 3hwk h LEU 311 N 0.00 0.98 -0.32 -4.49 3.38 -0.52 -0.98 115.31 113.36 3hwk h LEU 311 Ca -0.04 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 3hwk h LEU 311 Cb 1.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hwk h LEU 311 CO 0.06 1.06 -0.15 0.44 0.09 0.00 0.00 178.44 179.94 3hwk h ASP 312 N 0.88 0.69 -0.26 -0.43 3.32 -0.54 -1.43 116.42 118.66 3hwk h ASP 312 Ca 0.16 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3hwk h ASP 312 Cb 0.56 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3hwk h ASP 312 CO 0.03 0.94 0.03 0.40 -1.72 0.00 0.00 179.24 178.92 3hwk h ILE 313 N 0.44 1.24 -0.31 0.35 2.04 -1.43 -1.78 117.51 118.05 3hwk h ILE 313 Ca 0.07 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.18 3hwk h ILE 313 Cb 0.67 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 3hwk h ILE 313 CO 0.05 0.26 -0.37 0.22 0.00 0.00 0.00 178.15 178.31 3hwk h TYR 314 N 0.24 -1.04 -0.35 1.37 5.03 -1.02 -0.40 116.97 120.80 3hwk h TYR 314 Ca 0.08 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 3hwk h TYR 314 Cb 0.36 0.50 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 3hwk h TYR 314 CO 0.03 -0.42 0.09 1.96 -1.32 0.00 0.00 178.16 178.50 3hwk h GLN 315 N -0.34 0.56 -0.04 1.82 4.20 -1.13 -0.86 115.11 119.32 3hwk h GLN 315 Ca 0.13 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3hwk h GLN 315 Cb 0.57 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3hwk h GLN 315 CO -0.49 0.60 -0.01 0.28 -0.67 0.00 0.00 178.83 178.54 3hwk h VAL 316 N 0.41 1.30 -0.86 -0.54 2.07 -1.17 -1.36 116.25 116.10 3hwk h VAL 316 Ca 0.11 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3hwk h VAL 316 Cb 0.29 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3hwk h VAL 316 CO 0.00 0.25 0.56 0.25 0.02 0.00 0.00 177.57 178.65 3hwk h LEU 317 N -0.28 1.00 -0.63 2.57 5.85 -1.06 0.31 115.31 123.08 3hwk h LEU 317 Ca 0.01 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3hwk h LEU 317 Cb 0.40 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3hwk h LEU 317 CO 0.00 0.74 0.25 0.00 -0.34 0.00 0.00 178.44 179.09 3hwk h ALA 318 N 1.31 0.82 -0.16 1.25 0.00 -1.03 0.75 119.26 122.19 3hwk h ALA 318 Ca 0.31 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hwk h ALA 318 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3hwk h ALA 318 CO -0.07 0.44 -0.32 0.00 0.00 0.00 0.00 179.25 179.30 3hwk h ALA 319 N 1.10 0.26 -0.66 0.00 0.00 -0.88 -0.33 119.26 118.74 3hwk h ALA 319 Ca 0.21 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hwk h ALA 319 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hwk h ALA 319 CO -0.02 0.30 0.39 0.93 0.00 0.00 0.00 179.25 180.85 3hwk h GLU 320 N 0.14 0.89 -0.16 0.00 4.39 -0.29 -0.62 114.58 118.93 3hwk h GLU 320 Ca 0.01 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 3hwk h GLU 320 Cb 0.92 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3hwk h GLU 320 CO 0.07 0.63 -0.51 1.98 -1.16 0.00 0.00 179.01 180.02 3hwk h MET 321 N 0.90 0.62 -0.94 2.33 4.05 -0.73 -1.70 114.93 119.46 3hwk h MET 321 Ca 0.24 -0.46 0.01 0.00 -0.28 0.00 0.00 59.70 59.21 3hwk h MET 321 Cb -0.03 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 3hwk h MET 321 CO -0.04 1.08 0.62 0.00 0.23 0.00 0.00 176.91 178.79 3hwk h ALA 322 N 0.54 1.19 -0.35 0.39 0.00 -0.85 -1.93 119.26 118.27 3hwk h ALA 322 Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hwk h ALA 322 Cb 1.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hwk h ALA 322 CO 0.11 0.60 0.07 1.03 0.00 0.00 0.00 179.25 181.05 3hwk h SER 323 N 1.28 0.54 0.82 0.00 0.87 -1.01 0.16 113.55 116.21 3hwk h SER 323 Ca 0.34 -0.25 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 3hwk h SER 323 Cb -0.14 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 3hwk h SER 323 CO -0.07 0.65 -0.78 0.00 -0.53 0.00 0.00 176.83 176.10 3hwk h ALA 324 N 0.91 0.69 0.00 6.23 0.00 -1.14 -3.40 119.26 122.55 3hwk h ALA 324 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hwk h ALA 324 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hwk h ALA 324 CO 0.00 0.98 -0.05 0.25 0.00 0.00 0.00 179.25 180.43 3hwk n THR 325 N -3.58 0.00 -0.93 0.00 -2.24 -0.74 -5.00 114.28 101.79 3hwk n THR 325 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3hwk n THR 325 Cb 0.76 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.33 0.27 3.72 3.38 0.00 0.55 -5.00 105.19 108.45 3hwk n GLY 326 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.65 5.08 0.26 -0.61 1.01 -1.26 -4.93 121.20 119.11 3hwk s ILE 327 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3hwk s ILE 327 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3hwk s ILE 327 CO 0.00 0.27 0.45 -0.76 0.00 0.00 0.00 174.94 174.90 3hwk s LEU 328 N 0.78 4.16 0.69 2.97 1.43 -1.26 -3.76 118.68 123.70 3hwk s LEU 328 Ca 0.34 0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.66 3hwk s LEU 328 Cb -0.17 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.89 3hwk s LEU 328 CO 0.16 -0.14 1.19 -2.84 0.23 0.00 0.00 176.35 174.94 3hwk s PRO 329 N -3.81 2.40 0.52 1.29 0.02 -1.26 -3.19 135.00 130.97 3hwk s PRO 329 Ca 0.38 1.70 0.07 0.00 0.02 0.00 0.00 61.00 63.18 3hwk s PRO 329 Cb -0.10 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3hwk s PRO 329 CO 0.32 -1.63 0.51 0.54 -0.33 0.00 0.00 177.00 176.41 3hwk s ASN 330 N -2.06 4.87 0.45 2.53 2.20 0.64 -4.11 114.94 119.46 3hwk s ASN 330 Ca 0.73 -1.02 0.16 0.00 -0.94 0.00 0.00 52.86 51.80 3hwk s ASN 330 Cb -0.28 0.16 1.11 0.00 -2.00 0.00 0.00 41.25 40.24 3hwk s ASN 330 CO 0.43 -1.07 1.98 0.25 -2.94 0.00 0.00 177.10 175.75 3hwk h LEU 331 N 0.65 0.29 -2.13 3.54 5.85 -1.94 -1.30 115.31 120.26 3hwk h LEU 331 Ca -0.36 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3hwk h LEU 331 Cb 1.29 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 3hwk h LEU 331 CO 0.52 0.17 -0.03 0.44 -0.34 0.00 0.00 178.44 179.21 3hwk h ASP 332 N 0.32 0.00 0.39 1.25 3.32 -1.95 -2.87 116.42 116.88 3hwk h ASP 332 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3hwk h ASP 332 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3hwk h ASP 332 CO -0.06 0.03 -0.19 0.15 -1.72 0.00 0.00 179.24 177.44 3hwk h PHE 333 N 0.00 -0.48 0.00 4.55 3.57 -1.41 -2.64 116.94 120.52 3hwk h PHE 333 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3hwk h PHE 333 Cb 0.05 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3hwk h PHE 333 CO 0.00 -0.17 -0.10 -1.00 -2.23 0.00 0.00 178.31 174.82 3hwk h PRO 334 N -0.82 0.00 -0.28 6.41 0.13 -1.70 -3.31 132.00 132.44 3hwk h PRO 334 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.96 3hwk h PRO 334 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3hwk h PRO 334 CO 0.09 0.10 -0.30 1.15 -0.23 0.00 0.00 178.00 178.81 3hwk h THR 335 N 0.00 1.30 -0.43 1.56 2.02 -1.45 -3.00 112.91 112.91 3hwk h THR 335 Ca -0.00 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.75 3hwk h THR 335 Cb 0.64 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3hwk h THR 335 CO 0.01 0.47 -0.33 1.23 0.37 0.00 0.00 175.52 177.27 3hwk h GLY 336 N 0.43 -1.55 2.00 2.16 0.00 -1.55 0.70 103.07 105.25 3hwk h GLY 336 Ca 0.04 0.88 -0.08 0.00 0.00 0.00 0.00 47.33 48.17 3hwk h GLY 336 CO 0.07 -0.40 -0.39 -0.56 0.00 0.00 0.00 176.54 175.26 3hwk h PRO 337 N -0.10 0.00 0.05 4.80 0.13 -1.75 -1.87 132.00 133.27 3hwk h PRO 337 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3hwk h PRO 337 Cb 0.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 3hwk h PRO 337 CO -0.46 0.39 -0.04 0.00 -0.23 0.00 0.00 178.00 177.66 3hwk h ALA 338 N 1.61 -0.09 -0.88 -0.56 0.00 -1.22 0.47 119.26 118.59 3hwk h ALA 338 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hwk h ALA 338 Cb 0.88 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3hwk h ALA 338 CO 0.05 -0.55 0.47 1.88 0.00 0.00 0.00 179.25 181.10 3hwk h TYR 339 N -0.10 1.22 -0.39 0.00 -1.99 -0.71 -0.02 116.97 114.98 3hwk h TYR 339 Ca -0.00 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3hwk h TYR 339 Cb 0.09 -0.39 -0.02 0.00 2.00 0.00 0.00 36.73 38.42 3hwk h TYR 339 CO -0.09 0.85 0.22 -0.92 -0.00 0.00 0.00 178.16 178.22 3hwk h TYR 340 N 1.23 0.52 0.00 4.88 3.20 -1.03 -2.44 116.97 123.33 3hwk h TYR 340 Ca 0.31 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.06 3hwk h TYR 340 Cb 0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3hwk h TYR 340 CO 0.01 0.38 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.30 3hwk h LEU 341 N 0.50 0.00 -2.02 2.82 3.38 -0.54 -1.80 115.31 117.66 3hwk h LEU 341 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hwk h LEU 341 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hwk h LEU 341 CO -0.02 0.54 0.00 0.24 0.09 0.00 0.00 178.44 179.29 3hwk h MET 342 N 0.00 0.00 0.00 1.13 2.86 -0.68 -3.47 114.93 114.77 3hwk h MET 342 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hwk h MET 342 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3hwk h MET 342 CO 0.07 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.45 3hwk n GLY 343 N -0.57 0.81 3.78 8.32 0.00 -0.68 -5.08 105.19 111.77 3hwk n GLY 343 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.29 0.32 1.61 0.08 -0.95 -5.01 117.98 115.32 3hwk s PHE 344 Ca 0.00 1.64 -0.28 0.00 0.12 0.00 0.00 56.93 58.41 3hwk s PHE 344 Cb 0.00 -3.20 -0.10 0.00 -0.57 0.00 0.00 43.02 39.16 3hwk s PHE 344 CO 0.00 -0.73 1.17 0.34 -0.10 0.00 0.00 175.22 175.90 3hwk s ASP 345 N -1.37 6.98 0.25 1.36 2.15 -1.26 -4.57 116.67 120.20 3hwk s ASP 345 Ca 0.55 2.40 -0.04 0.00 0.43 0.00 0.00 52.55 55.90 3hwk s ASP 345 Cb -0.25 -2.63 0.45 0.00 -0.30 0.00 0.00 42.92 40.19 3hwk s ASP 345 CO 0.32 -0.36 1.75 0.40 -0.17 0.00 0.00 175.17 177.11 3hwk h ILE 346 N 2.92 0.73 0.00 4.11 2.04 -1.96 -0.10 117.51 125.25 3hwk h ILE 346 Ca -0.48 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3hwk h ILE 346 Cb 1.22 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3hwk h ILE 346 CO 0.66 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.91 3hwk n ALA 347 N -2.45 1.61 1.24 1.87 0.00 -1.26 -2.00 120.51 119.52 3hwk n ALA 347 Ca 0.14 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.73 3hwk n ALA 347 Cb 0.38 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 18.89 3hwk n ALA 347 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwk n SER 348 N -1.84 2.14 -0.21 0.00 7.64 -0.05 -4.38 113.62 116.92 3hwk n SER 348 Ca 0.03 -1.72 -0.06 0.00 1.01 0.00 0.00 58.87 58.13 3hwk n SER 348 Cb 0.18 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 3.27 0.77 -0.19 1.43 -1.00 -1.45 -2.69 116.94 117.08 3hwk h PHE 349 Ca 0.00 0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.62 3hwk h PHE 349 Cb 0.70 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.01 3hwk h PHE 349 CO 0.02 0.50 -0.55 1.15 -1.61 0.00 0.00 178.31 177.82 3hwk h THR 350 N 0.82 1.31 -0.12 -1.55 2.02 -1.82 -2.48 112.91 111.08 3hwk h THR 350 Ca 0.22 -1.78 0.04 0.00 0.77 0.00 0.00 66.41 65.66 3hwk h THR 350 Cb -0.07 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3hwk h THR 350 CO -0.04 0.56 0.11 -0.65 0.37 0.00 0.00 175.52 175.86 3hwk h PRO 351 N 0.42 0.00 -0.15 6.66 0.11 -1.82 0.23 132.00 137.46 3hwk h PRO 351 Ca -0.01 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.94 3hwk h PRO 351 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hwk h PRO 351 CO 0.12 0.00 -0.58 0.82 -0.21 0.00 0.00 178.00 178.15 3hwk h ILE 352 N 0.00 1.34 -0.42 4.15 2.04 -1.23 -1.47 117.51 121.92 3hwk h ILE 352 Ca 0.06 -1.86 0.03 0.00 1.00 0.00 0.00 64.86 64.09 3hwk h ILE 352 Cb 0.27 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3hwk h ILE 352 CO -0.00 0.57 0.22 0.15 0.00 0.00 0.00 178.15 179.09 3hwk h PHE 353 N 0.36 0.41 -0.65 1.37 3.04 -0.65 -2.47 116.94 118.34 3hwk h PHE 353 Ca 0.00 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.08 3hwk h PHE 353 Cb 1.11 -0.12 -0.08 0.00 2.56 0.00 0.00 35.95 39.41 3hwk h PHE 353 CO 0.04 0.22 0.22 0.28 -2.02 0.00 0.00 178.31 177.05 3hwk h VAL 354 N 0.44 0.69 -0.92 1.41 2.07 -0.55 0.85 116.25 120.24 3hwk h VAL 354 Ca 0.17 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.73 3hwk h VAL 354 Cb 0.06 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 3hwk h VAL 354 CO -0.11 0.07 0.59 0.24 0.02 0.00 0.00 177.57 178.38 3hwk h MET 355 N 0.37 0.65 0.01 1.57 2.86 -0.80 -1.02 114.93 118.56 3hwk h MET 355 Ca 0.34 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 3hwk h MET 355 Cb 0.48 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3hwk h MET 355 CO -0.37 0.43 -0.28 1.03 1.06 0.00 0.00 176.91 178.78 3hwk h SER 356 N 0.67 0.04 1.08 1.22 0.87 -1.26 -3.38 113.55 112.79 3hwk h SER 356 Ca 0.47 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3hwk h SER 356 Cb 0.82 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3hwk h SER 356 CO -0.23 1.12 0.00 -0.09 -0.53 0.00 0.00 176.83 177.10 3hwk h ARG 357 N -0.94 0.00 -1.07 2.24 9.65 -0.41 -2.54 114.38 121.32 3hwk h ARG 357 Ca -0.07 0.00 0.30 0.00 -1.10 0.00 0.00 59.98 59.11 3hwk h ARG 357 Cb 1.11 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.63 3hwk h ARG 357 CO -0.02 0.00 0.74 0.97 2.80 0.00 0.00 179.97 184.46 3hwk h ILE 358 N 0.00 0.48 0.55 1.20 6.09 -1.39 0.36 117.51 124.81 3hwk h ILE 358 Ca 0.00 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.42 3hwk h ILE 358 Cb 0.54 0.35 0.01 0.00 0.47 0.00 0.00 36.82 38.19 3hwk h ILE 358 CO 0.00 0.02 -0.27 0.71 -3.07 0.00 0.00 178.15 175.55 3hwk h THR 359 N 0.12 0.28 -0.65 2.19 1.35 -1.67 -1.92 112.91 112.61 3hwk h THR 359 Ca 0.54 -0.39 0.02 0.00 -0.55 0.00 0.00 66.41 66.02 3hwk h THR 359 Cb 1.89 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 3hwk h THR 359 CO -0.09 0.04 0.41 1.23 -0.25 0.00 0.00 175.52 176.86 3hwk h GLY 360 N -1.05 0.92 0.20 5.82 0.00 -0.79 -1.47 103.07 106.70 3hwk h GLY 360 Ca -0.08 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.01 3hwk h GLY 360 CO 0.12 0.28 -0.16 1.49 0.00 0.00 0.00 176.54 178.27 3hwk h TRP 361 N 0.81 -0.40 -0.07 5.60 6.55 -0.96 -0.78 115.95 126.71 3hwk h TRP 361 Ca 0.25 0.04 -0.17 0.00 0.95 0.00 0.00 58.89 59.96 3hwk h TRP 361 Cb -0.02 0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 3hwk h TRP 361 CO -0.04 -0.24 -0.69 1.79 -1.05 0.00 0.00 178.44 178.21 3hwk h THR 362 N -0.12 1.40 -0.76 1.49 1.35 -1.12 -0.60 112.91 114.55 3hwk h THR 362 Ca 0.16 -2.13 0.05 0.00 -0.55 0.00 0.00 66.41 63.94 3hwk h THR 362 Cb 0.36 2.11 -0.05 0.00 -1.73 0.00 0.00 68.15 68.84 3hwk h THR 362 CO -0.39 0.63 0.47 0.00 -0.25 0.00 0.00 175.52 175.98 3hwk h ALA 363 N 1.06 1.02 -0.01 6.62 0.00 -0.94 -1.36 119.26 125.64 3hwk h ALA 363 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3hwk h ALA 363 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3hwk h ALA 363 CO 0.11 0.22 -0.58 0.45 0.00 0.00 0.00 179.25 179.45 3hwk h HIS 364 N 0.89 0.06 -0.11 0.00 -0.00 -0.50 -2.01 115.15 113.47 3hwk h HIS 364 Ca 0.32 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.64 3hwk h HIS 364 Cb 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3hwk h HIS 364 CO -0.04 0.62 -0.05 0.82 -0.00 0.00 0.00 177.93 179.28 3hwk h ILE 365 N 0.03 1.31 -0.36 2.45 2.04 -0.75 -0.71 117.51 121.52 3hwk h ILE 365 Ca -0.01 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3hwk h ILE 365 Cb 1.04 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3hwk h ILE 365 CO 0.08 0.30 0.22 0.24 0.00 0.00 0.00 178.15 178.99 3hwk h MET 366 N -0.11 0.44 -0.28 2.37 2.86 -1.21 0.83 114.93 119.84 3hwk h MET 366 Ca 0.03 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3hwk h MET 366 Cb 0.49 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3hwk h MET 366 CO 0.02 0.29 0.05 1.49 1.06 0.00 0.00 176.91 179.82 3hwk h GLU 367 N 0.45 0.15 -0.29 1.72 4.81 -1.35 -1.57 114.58 118.50 3hwk h GLU 367 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3hwk h GLU 367 Cb -0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3hwk h GLU 367 CO -0.05 0.10 0.18 0.37 -0.73 0.00 0.00 179.01 178.88 3hwk h GLN 368 N 0.16 0.39 0.00 1.92 5.75 -0.88 -2.80 115.11 119.65 3hwk h GLN 368 Ca 0.13 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.56 3hwk h GLN 368 Cb 0.13 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3hwk h GLN 368 CO -0.17 0.28 -0.19 0.00 -2.65 0.00 0.00 178.83 176.10 3hwk h ALA 369 N 1.08 1.61 0.00 3.38 0.00 -0.58 -2.65 119.26 122.10 3hwk h ALA 369 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hwk h ALA 369 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hwk h ALA 369 CO -0.02 0.24 -0.12 1.15 0.00 0.00 0.00 179.25 180.51 3hwk h THR 370 N 0.00 0.00 -0.97 0.00 2.02 -1.04 -3.37 112.91 109.55 3hwk h THR 370 Ca -0.00 -0.58 -0.38 0.00 0.77 0.00 0.00 66.41 66.21 3hwk h THR 370 Cb 0.36 1.51 -0.26 0.00 -1.74 0.00 0.00 68.15 68.02 3hwk h THR 370 CO 0.03 0.00 -0.79 0.00 0.37 0.00 0.00 175.52 175.12 3hwk n ALA 371 N -1.86 0.47 -2.63 6.16 0.00 -1.08 -5.10 120.51 116.48 3hwk n ALA 371 Ca 0.05 -2.38 -0.32 0.00 0.00 0.00 0.00 53.44 50.79 3hwk n ALA 371 Cb 0.45 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.52 6.53 -0.16 0.00 2.47 -1.02 -4.80 114.94 116.45 3hwk s ASN 372 Ca 0.33 0.66 -0.14 0.00 0.42 0.00 0.00 52.86 54.13 3hwk s ASN 372 Cb 0.22 -2.12 0.04 0.00 -1.45 0.00 0.00 41.25 37.94 3hwk s ASN 372 CO -0.16 0.07 0.42 0.00 -3.72 0.00 0.00 177.10 173.71 3hwk s ALA 373 N -1.62 -1.05 0.16 1.71 0.00 -1.26 -5.11 121.76 114.59 3hwk s ALA 373 Ca 0.40 1.23 -0.33 0.00 0.00 0.00 0.00 51.96 53.26 3hwk s ALA 373 Cb -0.12 -0.72 -0.13 0.00 0.00 0.00 0.00 23.12 22.14 3hwk s ALA 373 CO 0.23 -0.21 1.66 -0.11 0.00 0.00 0.00 175.76 177.33 3hwk n LEU 374 N 3.01 3.46 -4.52 0.00 7.94 -1.25 -4.79 117.00 120.85 3hwk n LEU 374 Ca -0.14 1.06 -0.43 0.00 -1.11 0.00 0.00 56.01 55.39 3hwk n LEU 374 Cb 0.57 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 3hwk n LEU 374 CO 0.12 -0.10 0.41 -0.63 -1.11 0.00 0.00 177.39 176.08 3hwk s ILE 375 N 1.26 4.80 -0.30 1.96 1.01 -1.26 -4.97 121.20 123.69 3hwk s ILE 375 Ca 0.78 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.61 3hwk s ILE 375 Cb -0.61 -4.23 0.16 0.00 0.01 0.00 0.00 42.46 37.79 3hwk s ILE 375 CO 0.37 -0.62 0.42 -0.60 0.00 0.00 0.00 174.94 174.50 3hwk s ARG 376 N 2.90 0.44 0.83 2.79 6.06 -1.26 -5.02 118.95 125.68 3hwk s ARG 376 Ca 0.24 0.11 -0.10 0.00 -2.50 0.00 0.00 55.73 53.48 3hwk s ARG 376 Cb -0.14 -0.28 0.14 0.00 0.06 0.00 0.00 34.95 34.73 3hwk s ARG 376 CO 0.20 -1.05 1.16 -1.25 -2.50 0.00 0.00 175.30 171.85 3hwk s PRO 377 N 2.51 1.37 0.23 5.12 0.04 -1.26 -5.11 135.00 137.89 3hwk s PRO 377 Ca 0.10 -0.51 0.05 0.00 0.04 0.00 0.00 61.00 60.67 3hwk s PRO 377 Cb -0.12 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3hwk s PRO 377 CO -0.29 -1.83 0.32 -0.51 0.04 0.00 0.00 177.00 174.73 3hwk s LEU 378 N -5.53 4.24 0.09 -3.56 1.43 -1.26 -5.13 118.68 108.96 3hwk s LEU 378 Ca 0.68 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 3hwk s LEU 378 Cb -0.06 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3hwk s LEU 378 CO 0.49 -0.04 -0.22 -0.94 0.23 0.00 0.00 176.35 175.86 3hwk s SER 379 N -3.82 2.69 0.30 2.29 1.04 -1.26 -5.10 113.70 109.84 3hwk s SER 379 Ca 0.34 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 56.05 3hwk s SER 379 Cb -0.09 -0.18 -0.06 0.00 0.10 0.00 0.00 66.02 65.79 3hwk s SER 379 CO 0.28 0.12 0.60 0.00 0.98 0.00 0.00 173.24 175.23 3hwk s ALA 380 N -1.02 3.54 -0.12 5.32 0.00 -1.26 -5.10 121.76 123.12 3hwk s ALA 380 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 3hwk s ALA 380 Cb -0.10 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3hwk s ALA 380 CO 0.04 0.25 -0.05 -0.47 0.00 0.00 0.00 175.76 175.53 3hwk s TYR 381 N -2.09 3.00 -0.03 0.00 5.04 -1.26 -4.98 117.35 117.03 3hwk s TYR 381 Ca 0.47 -0.18 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 3hwk s TYR 381 Cb -0.11 -1.86 0.07 0.00 0.35 0.00 0.00 41.96 40.41 3hwk s TYR 381 CO 0.28 0.11 0.95 0.00 -1.34 0.00 0.00 175.55 175.55 3hwk n GLY 383 N -0.36 1.73 3.59 0.00 0.00 -1.26 -5.05 105.19 103.84 3hwk n GLY 383 Ca 0.04 -2.11 -0.48 0.00 0.00 0.00 0.00 46.02 43.47 3hwk n GLY 383 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hwk n HIS 384 N -1.16 1.46 -1.37 1.61 8.25 -1.26 -4.98 115.22 117.76 3hwk n HIS 384 Ca 0.01 0.63 -0.31 0.00 -0.26 0.00 0.00 57.72 57.79 3hwk n HIS 384 Cb 0.04 -2.32 0.08 0.00 1.12 0.00 0.00 29.99 28.92 3hwk n HIS 384 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3hwk s GLU 385 N -0.29 2.41 0.03 -0.41 1.03 -1.26 -4.90 118.70 115.31 3hwk s GLU 385 Ca 0.73 1.19 -0.38 0.00 0.03 0.00 0.00 54.97 56.54 3hwk s GLU 385 Cb -0.83 -1.91 -0.18 0.00 -0.80 0.00 0.00 34.13 30.41 3hwk s GLU 385 CO 0.51 -1.53 1.23 0.94 -1.33 0.00 0.00 175.26 175.09 3hwk n GLN 386 N -3.29 0.61 -4.27 -4.83 7.27 -1.26 -4.96 117.38 106.64 3hwk n GLN 386 Ca 0.09 0.22 -0.15 0.00 0.07 0.00 0.00 57.00 57.24 3hwk n GLN 386 Cb 0.53 -1.80 -0.10 0.00 2.41 0.00 0.00 30.24 31.28 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 0.37 1.18 0.10 3.69 1.70 -1.26 -5.15 118.95 119.58 3hwk s ARG 387 Ca 0.88 -1.58 -0.14 0.00 -0.47 0.00 0.00 55.73 54.42 3hwk s ARG 387 Cb -1.11 -0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 32.82 3hwk s ARG 387 CO 0.52 -0.11 0.49 0.08 -1.08 0.00 0.00 175.30 175.20 3hwk s VAL 388 N -3.57 4.93 -0.00 4.99 1.01 -1.26 -5.06 120.40 121.43 3hwk s VAL 388 Ca 0.25 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3hwk s VAL 388 Cb 0.06 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3hwk s VAL 388 CO 0.05 0.34 1.50 -0.22 0.00 0.00 0.00 175.10 176.77 3hwk s LEU 389 N -1.72 4.32 1.01 3.92 2.96 -1.26 -5.03 118.68 122.88 3hwk s LEU 389 Ca 0.33 2.20 -0.17 0.00 -0.22 0.00 0.00 54.13 56.27 3hwk s LEU 389 Cb -0.15 -3.55 0.22 0.00 0.50 0.00 0.00 46.19 43.20 3hwk s LEU 389 CO 0.18 -0.80 1.29 -2.16 -1.32 0.00 0.00 176.35 173.54 3hwk s PRO 390 N 2.83 0.30 0.00 0.98 0.04 -1.26 -5.38 135.00 132.51 3hwk s PRO 390 Ca 0.67 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.35 3hwk s PRO 390 Cb -0.33 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3hwk s PRO 390 CO 0.28 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 175.08