#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 5.07 -1.18 5.18 1.01 -1.26 -4.99 121.20 125.03 3hwk s ILE 28 Ca 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 3hwk s ILE 28 Cb 0.00 -3.85 0.24 0.00 0.01 0.00 0.00 42.46 38.86 3hwk s ILE 28 CO 0.00 0.02 1.62 0.29 0.00 0.00 0.00 174.94 176.87 3hwk n LYS 29 N 5.57 4.00 -1.70 2.79 4.76 -1.26 -5.00 118.16 127.32 3hwk n LYS 29 Ca -0.05 -4.07 -0.44 0.00 -2.87 0.00 0.00 58.31 50.88 3hwk n LYS 29 Cb 0.50 -2.72 -0.03 0.00 -1.84 0.00 0.00 35.03 30.93 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 2.74 2.57 -1.21 1.97 4.76 -1.26 -1.17 118.16 126.56 3hwk n LYS 30 Ca 0.32 0.93 -0.08 0.00 -2.87 0.00 0.00 58.31 56.61 3hwk n LYS 30 Cb 0.35 -2.77 -0.04 0.00 -1.84 0.00 0.00 35.03 30.74 3hwk n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hwk n GLY 31 N 3.90 0.81 2.39 0.72 0.00 -1.26 -2.47 105.19 109.29 3hwk n GLY 31 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.99 -1.52 -4.68 0.99 4.77 -0.31 -4.90 117.00 110.36 3hwk n LEU 32 Ca -0.08 0.16 -0.45 0.00 -0.03 0.00 0.00 56.01 55.61 3hwk n LEU 32 Cb 0.55 -2.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.03 3hwk n LEU 32 CO 0.13 -0.36 1.38 0.00 -1.33 0.00 0.00 177.39 177.20 3hwk n ALA 33 N -1.33 1.61 -0.93 -1.18 0.00 -1.03 -1.34 120.51 116.32 3hwk n ALA 33 Ca -0.20 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3hwk n ALA 33 Cb 0.63 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3hwk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwk n GLY 34 N 3.98 0.49 3.60 0.00 0.00 -1.26 -4.91 105.19 107.09 3hwk n GLY 34 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3hwk n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwk s VAL 35 N -2.29 5.10 -0.35 1.61 1.01 -0.45 -5.03 120.40 120.02 3hwk s VAL 35 Ca 0.00 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 3hwk s VAL 35 Cb 0.00 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3hwk s VAL 35 CO 0.00 0.07 1.05 -0.69 0.00 0.00 0.00 175.10 175.53 3hwk s VAL 36 N 2.22 4.50 -0.02 2.92 1.01 -1.26 -4.89 120.40 124.88 3hwk s VAL 36 Ca 0.18 1.57 0.15 0.00 0.00 0.00 0.00 61.98 63.88 3hwk s VAL 36 Cb -0.16 -4.41 -0.24 0.00 0.00 0.00 0.00 36.38 31.57 3hwk s VAL 36 CO 0.10 -0.54 0.33 0.55 0.00 0.00 0.00 175.10 175.54 3hwk n VAL 37 N 5.99 0.01 -3.89 2.92 3.14 -1.26 -5.05 118.33 120.19 3hwk n VAL 37 Ca 0.11 -0.35 -0.02 0.00 -2.96 0.00 0.00 64.34 61.12 3hwk n VAL 37 Cb 0.47 0.14 0.01 0.00 -1.06 0.00 0.00 33.84 33.41 3hwk n VAL 37 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hwk s ASP 38 N -3.77 -0.01 -0.09 6.55 -1.08 -1.26 -5.16 116.67 111.84 3hwk s ASP 38 Ca -0.06 -0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 51.44 3hwk s ASP 38 Cb 0.10 0.40 -0.03 0.00 -1.46 0.00 0.00 42.92 41.93 3hwk s ASP 38 CO 0.64 -0.79 -0.05 0.28 0.52 0.00 0.00 175.17 175.77 3hwk s THR 39 N -2.21 3.85 0.05 1.71 -1.32 -1.26 -5.12 115.64 111.34 3hwk s THR 39 Ca 0.23 -0.41 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 3hwk s THR 39 Cb -0.02 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 3hwk s THR 39 CO 0.03 0.57 -0.07 0.28 -2.21 0.00 0.00 174.62 173.23 3hwk s THR 40 N -0.53 0.51 -1.44 5.08 -1.32 -1.26 -5.02 115.64 111.65 3hwk s THR 40 Ca 0.08 -1.32 0.14 0.00 -1.21 0.00 0.00 61.69 59.38 3hwk s THR 40 Cb -0.12 -0.90 0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3hwk s THR 40 CO 0.02 -0.56 0.83 0.00 -2.21 0.00 0.00 174.62 172.70 3hwk n ALA 41 N 1.01 2.84 0.03 11.08 0.00 -1.26 -4.77 120.51 129.45 3hwk n ALA 41 Ca -0.20 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.51 3hwk n ALA 41 Cb 0.57 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 3hwk n ALA 41 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hwk h ILE 42 N 1.96 1.41 -3.39 0.00 2.04 -1.96 -3.41 117.51 114.18 3hwk h ILE 42 Ca 0.00 -2.49 -0.02 0.00 1.00 0.00 0.00 64.86 63.35 3hwk h ILE 42 Cb 0.51 3.09 -0.09 0.00 -0.74 0.00 0.00 36.82 39.59 3hwk h ILE 42 CO 0.00 0.70 0.00 -0.94 0.00 0.00 0.00 178.15 177.91 3hwk s SER 43 N -6.95 -0.19 -0.15 1.72 1.04 -1.26 -1.41 113.70 106.49 3hwk s SER 43 Ca -0.15 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.32 3hwk s SER 43 Cb 0.01 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.85 3hwk s SER 43 CO 0.81 -1.12 0.94 -0.75 0.98 0.00 0.00 173.24 174.10 3hwk s LYS 44 N -3.93 0.67 -0.37 4.02 2.20 -1.14 -4.91 119.74 116.27 3hwk s LYS 44 Ca 0.14 0.21 -0.15 0.00 -0.36 0.00 0.00 55.97 55.82 3hwk s LYS 44 Cb -0.02 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 3hwk s LYS 44 CO 0.03 -0.20 0.32 0.08 -0.36 0.00 0.00 175.35 175.22 3hwk s VAL 45 N -0.98 5.22 -0.44 4.02 1.01 -1.26 -0.07 120.40 127.89 3hwk s VAL 45 Ca -0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3hwk s VAL 45 Cb -0.01 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3hwk s VAL 45 CO 0.02 -0.19 1.39 -0.69 0.00 0.00 0.00 175.10 175.63 3hwk s VAL 46 N 1.85 3.91 0.33 2.92 1.01 0.18 -4.89 120.40 125.70 3hwk s VAL 46 Ca 0.08 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.00 3hwk s VAL 46 Cb -0.18 -4.27 0.18 0.00 0.00 0.00 0.00 36.38 32.11 3hwk s VAL 46 CO 0.11 -0.84 1.89 -0.65 0.00 0.00 0.00 175.10 175.61 3hwk h PRO 47 N 10.65 0.65 -0.89 2.72 0.11 -1.96 0.31 132.00 143.59 3hwk h PRO 47 Ca -0.27 -0.12 0.13 0.00 0.11 0.00 0.00 66.00 65.85 3hwk h PRO 47 Cb 1.10 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.03 3hwk h PRO 47 CO 1.10 0.60 0.57 1.96 -0.21 0.00 0.00 178.00 182.03 3hwk h GLN 48 N 0.63 0.72 0.00 1.05 7.50 -1.98 -3.03 115.11 120.00 3hwk h GLN 48 Ca 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.25 3hwk h GLN 48 Cb 0.25 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.62 3hwk h GLN 48 CO -0.00 0.47 -0.03 0.25 -1.50 0.00 0.00 178.83 178.02 3hwk n THR 49 N -4.56 1.11 -3.69 -0.54 -2.24 -0.97 -5.01 114.28 98.39 3hwk n THR 49 Ca 0.17 -1.23 -0.31 0.00 -2.27 0.00 0.00 64.05 60.41 3hwk n THR 49 Cb 0.43 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.71 -1.33 -4.64 3.42 5.15 0.06 -4.92 115.26 112.29 3hwk n ASN 50 Ca 0.05 -0.88 -0.37 0.00 -0.60 0.00 0.00 54.58 52.78 3hwk n ASN 50 Cb 0.43 -1.16 -0.10 0.00 -0.53 0.00 0.00 39.78 38.42 3hwk n ASN 50 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3hwk s SER 51 N -2.62 6.12 0.30 1.20 0.01 -1.10 -4.44 113.70 113.17 3hwk s SER 51 Ca 0.60 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.69 3hwk s SER 51 Cb -0.35 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 3hwk s SER 51 CO 0.73 0.01 1.18 -0.22 0.41 0.00 0.00 173.24 175.36 3hwk s LEU 52 N 1.33 4.50 0.07 2.44 2.96 -1.26 -0.65 118.68 128.07 3hwk s LEU 52 Ca 0.09 2.44 0.08 0.00 -0.22 0.00 0.00 54.13 56.52 3hwk s LEU 52 Cb -0.14 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 3hwk s LEU 52 CO 0.07 -0.30 -0.22 0.42 -1.32 0.00 0.00 176.35 175.00 3hwk s THR 53 N -1.14 1.75 -0.19 3.68 -4.23 0.89 -1.35 115.64 115.06 3hwk s THR 53 Ca 0.46 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 3hwk s THR 53 Cb -0.35 -1.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 3hwk s THR 53 CO 0.46 0.10 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.23 3hwk s TYR 54 N -0.96 2.88 -1.53 3.99 2.02 0.14 -2.88 117.35 121.00 3hwk s TYR 54 Ca 0.08 -1.08 -0.17 0.00 -0.37 0.00 0.00 57.07 55.52 3hwk s TYR 54 Cb -0.09 -2.00 0.16 0.00 -0.40 0.00 0.00 41.96 39.63 3hwk s TYR 54 CO 0.03 -0.56 0.59 0.54 -1.57 0.00 0.00 175.55 174.58 3hwk n ARG 55 N 4.50 -2.25 0.00 -0.62 5.12 -0.50 -1.00 116.66 121.91 3hwk n ARG 55 Ca -0.19 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 3hwk n ARG 55 Cb 0.51 -4.91 0.00 0.00 -1.16 0.00 0.00 32.46 26.90 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 -1.14 3.20 3.74 -0.13 0.00 -1.26 -4.95 105.19 104.65 3hwk n GLY 56 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.76 3.68 0.23 1.61 2.02 -0.17 -4.91 117.35 117.04 3hwk s TYR 57 Ca 0.00 1.33 -0.31 0.00 -0.37 0.00 0.00 57.07 57.72 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 0.25 1.56 -2.14 -1.57 0.00 0.00 175.55 173.65 3hwk s PRO 58 N 0.11 4.19 0.23 -1.71 0.02 -1.26 0.27 135.00 136.85 3hwk s PRO 58 Ca 0.36 2.44 -0.00 0.00 0.02 0.00 0.00 61.00 63.81 3hwk s PRO 58 Cb -0.19 -3.09 0.24 0.00 0.02 0.00 0.00 34.50 31.48 3hwk s PRO 58 CO 0.20 -0.58 1.60 0.28 -0.33 0.00 0.00 177.00 178.17 3hwk h VAL 59 N 3.68 1.30 -0.84 3.83 2.07 -1.56 -1.13 116.25 123.59 3hwk h VAL 59 Ca -0.45 -1.58 0.19 0.00 0.82 0.00 0.00 66.70 65.68 3hwk h VAL 59 Cb 1.21 1.58 -0.16 0.00 -1.52 0.00 0.00 31.29 32.41 3hwk h VAL 59 CO 0.85 0.49 -0.10 -0.61 0.02 0.00 0.00 177.57 178.22 3hwk h GLN 60 N 0.43 0.03 0.22 1.57 4.15 -1.87 0.37 115.11 120.02 3hwk h GLN 60 Ca 0.04 -0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.11 3hwk h GLN 60 Cb 0.90 -0.01 0.03 0.00 0.21 0.00 0.00 27.48 28.61 3hwk h GLN 60 CO 0.08 0.02 -1.59 -0.44 -1.93 0.00 0.00 178.83 174.97 3hwk h ASP 61 N 0.03 0.74 -0.67 -0.69 3.32 -1.83 -3.03 116.42 114.29 3hwk h ASP 61 Ca 0.44 -0.90 0.13 0.00 0.02 0.00 0.00 57.03 56.72 3hwk h ASP 61 Cb 0.77 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.98 3hwk h ASP 61 CO -0.82 1.73 0.17 -0.07 -1.72 0.00 0.00 179.24 178.54 3hwk h LEU 62 N 0.13 0.05 -1.21 1.55 3.38 -0.90 -1.41 115.31 116.90 3hwk h LEU 62 Ca -0.29 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3hwk h LEU 62 Cb 2.14 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 43.03 3hwk h LEU 62 CO 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 178.44 178.76 3hwk h ALA 63 N 1.53 1.36 0.00 1.53 0.00 -0.26 0.76 119.26 124.17 3hwk h ALA 63 Ca 0.36 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3hwk h ALA 63 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hwk h ALA 63 CO -0.44 0.44 -0.98 0.00 0.00 0.00 0.00 179.25 178.28 3hwk h ALA 64 N 1.49 0.63 0.00 0.00 0.00 -1.36 -3.40 119.26 116.63 3hwk h ALA 64 Ca 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hwk h ALA 64 Cb 0.35 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hwk h ALA 64 CO 0.01 0.84 0.00 0.54 0.00 0.00 0.00 179.25 180.65 3hwk n ARG 65 N -3.09 4.23 -4.53 0.00 1.74 -0.56 -5.07 116.66 109.38 3hwk n ARG 65 Ca -0.04 -0.07 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 3hwk n ARG 65 Cb 0.81 -0.46 -0.10 0.00 -1.02 0.00 0.00 32.46 31.68 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 -3.74 5.77 0.28 0.00 1.04 -1.26 -4.84 113.70 110.95 3hwk s SER 67 Ca 0.36 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.47 3hwk s SER 67 Cb 0.08 -0.89 0.41 0.00 0.10 0.00 0.00 66.02 65.72 3hwk s SER 67 CO 0.19 -0.62 1.75 0.15 0.98 0.00 0.00 173.24 175.68 3hwk h PHE 68 N 0.75 0.63 -0.56 5.02 3.57 -1.96 -2.11 116.94 122.27 3hwk h PHE 68 Ca -0.42 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 60.97 3hwk h PHE 68 Cb 1.27 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 3hwk h PHE 68 CO 0.41 0.70 0.35 0.93 -2.23 0.00 0.00 178.31 178.48 3hwk h GLU 69 N 0.52 0.75 -0.15 1.11 3.07 -1.99 0.22 114.58 118.11 3hwk h GLU 69 Ca 0.09 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3hwk h GLU 69 Cb 0.57 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3hwk h GLU 69 CO 0.04 0.52 0.09 1.96 -1.40 0.00 0.00 179.01 180.22 3hwk h GLN 70 N 0.76 0.20 -0.48 2.33 4.20 -1.87 -1.56 115.11 118.69 3hwk h GLN 70 Ca 0.20 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3hwk h GLN 70 Cb -0.05 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3hwk h GLN 70 CO -0.04 0.17 0.21 0.28 -0.67 0.00 0.00 178.83 178.78 3hwk h VAL 71 N 0.18 1.20 -0.49 -0.54 2.07 -1.00 -0.55 116.25 117.11 3hwk h VAL 71 Ca 0.05 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3hwk h VAL 71 Cb 0.01 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3hwk h VAL 71 CO -0.01 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.00 3hwk h ALA 72 N 1.05 0.61 -0.11 1.67 0.00 -0.46 0.10 119.26 122.12 3hwk h ALA 72 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hwk h ALA 72 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hwk h ALA 72 CO -0.02 -0.19 -0.05 0.35 0.00 0.00 0.00 179.25 179.34 3hwk h PHE 73 N 0.38 -0.11 -0.05 0.00 3.57 -1.01 -2.05 116.94 117.67 3hwk h PHE 73 Ca 0.23 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3hwk h PHE 73 Cb 0.22 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3hwk h PHE 73 CO -0.15 -0.08 -0.18 1.25 -2.23 0.00 0.00 178.31 176.92 3hwk h LEU 74 N -0.03 -0.54 -1.66 0.59 5.85 -0.58 0.24 115.31 119.18 3hwk h LEU 74 Ca 0.06 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3hwk h LEU 74 Cb 0.13 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3hwk h LEU 74 CO -0.14 -0.24 0.38 -0.07 -0.34 0.00 0.00 178.44 178.04 3hwk h LEU 75 N -0.27 0.35 0.16 2.25 3.38 -0.80 0.13 115.31 120.51 3hwk h LEU 75 Ca 0.07 0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.69 3hwk h LEU 75 Cb 0.37 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hwk h LEU 75 CO -0.21 0.22 -1.86 -0.50 0.09 0.00 0.00 178.44 176.18 3hwk h TRP 76 N 0.39 0.62 0.00 1.13 6.55 -0.56 -3.40 115.95 120.68 3hwk h TRP 76 Ca 0.26 -0.45 -0.27 0.00 0.95 0.00 0.00 58.89 59.37 3hwk h TRP 76 Cb 0.50 -0.02 -0.05 0.00 -0.86 0.00 0.00 29.16 28.72 3hwk h TRP 76 CO -0.00 1.73 -2.11 0.54 -1.05 0.00 0.00 178.44 177.55 3hwk n ARG 77 N -3.55 0.67 -0.04 0.49 5.12 0.76 -5.00 116.66 115.11 3hwk n ARG 77 Ca -0.28 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 3hwk n ARG 77 Cb 1.06 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 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 1.60 0.40 3.13 -0.13 0.00 0.43 -5.05 105.19 105.57 3hwk n GLY 78 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.94 0.72 0.52 1.61 0.41 -1.25 -4.95 118.70 114.81 3hwk s GLU 79 Ca 0.00 -1.27 -0.21 0.00 -0.41 0.00 0.00 54.97 53.09 3hwk s GLU 79 Cb 0.00 0.00 -0.06 0.00 -1.78 0.00 0.00 34.13 32.29 3hwk s GLU 79 CO 0.00 -0.06 1.14 -0.51 -0.49 0.00 0.00 175.26 175.34 3hwk s LEU 80 N -2.96 3.83 0.37 1.80 1.43 -1.26 -3.83 118.68 118.06 3hwk s LEU 80 Ca 0.09 2.23 -0.24 0.00 -1.03 0.00 0.00 54.13 55.18 3hwk s LEU 80 Cb 0.06 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 3hwk s LEU 80 CO -0.07 -1.14 0.96 -2.16 0.23 0.00 0.00 176.35 174.17 3hwk s PRO 81 N -3.10 4.42 0.98 1.29 0.04 -1.26 -5.02 135.00 132.35 3hwk s PRO 81 Ca 0.70 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 3hwk s PRO 81 Cb -0.26 -2.56 0.18 0.00 0.04 0.00 0.00 34.50 31.90 3hwk s PRO 81 CO 0.30 0.13 1.10 0.95 0.04 0.00 0.00 177.00 179.52 3hwk s THR 82 N -1.81 2.05 0.18 1.26 -4.23 -1.26 -4.78 115.64 107.05 3hwk s THR 82 Ca 0.55 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.94 3hwk s THR 82 Cb -0.16 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 71.19 3hwk s THR 82 CO 0.20 -0.02 1.73 -0.78 -0.54 0.00 0.00 174.62 175.21 3hwk h ASP 83 N -1.79 0.07 -0.23 3.99 3.58 -1.99 -0.56 116.42 119.47 3hwk h ASP 83 Ca -0.54 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 3hwk h ASP 83 Cb 1.33 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.45 3hwk h ASP 83 CO 0.59 0.07 0.08 0.00 -2.88 0.00 0.00 179.24 177.10 3hwk h ALA 84 N 1.34 0.31 -0.74 -0.78 0.00 -2.00 -2.15 119.26 115.23 3hwk h ALA 84 Ca 0.23 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hwk h ALA 84 Cb 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3hwk h ALA 84 CO -0.27 -0.08 0.43 0.93 0.00 0.00 0.00 179.25 180.26 3hwk h GLU 85 N 0.21 0.75 -0.46 0.00 5.08 -1.78 -2.29 114.58 116.09 3hwk h GLU 85 Ca 0.08 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3hwk h GLU 85 Cb 0.22 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hwk h GLU 85 CO -0.00 0.49 -0.10 1.25 -1.00 0.00 0.00 179.01 179.65 3hwk h LEU 86 N 0.77 0.81 -0.68 1.33 5.85 -0.98 -1.21 115.31 121.20 3hwk h LEU 86 Ca 0.33 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hwk h LEU 86 Cb 0.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3hwk h LEU 86 CO -0.19 0.93 0.35 0.00 -0.34 0.00 0.00 178.44 179.19 3hwk h ALA 87 N 1.14 0.87 -0.15 1.25 0.00 -0.89 -1.30 119.26 120.19 3hwk h ALA 87 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hwk h ALA 87 Cb 0.59 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hwk h ALA 87 CO 0.04 0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 179.49 3hwk h LEU 88 N 0.93 0.39 -0.40 0.00 3.38 -1.29 -1.44 115.31 116.88 3hwk h LEU 88 Ca 0.23 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3hwk h LEU 88 Cb 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3hwk h LEU 88 CO -0.03 0.78 0.15 0.15 0.09 0.00 0.00 178.44 179.58 3hwk h PHE 89 N 0.01 0.27 -0.21 1.13 3.57 -1.16 -0.47 116.94 120.07 3hwk h PHE 89 Ca 0.03 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3hwk h PHE 89 Cb 0.66 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3hwk h PHE 89 CO 0.08 0.11 -0.36 1.03 -2.23 0.00 0.00 178.31 176.94 3hwk h SER 90 N 0.32 0.47 -0.26 0.41 0.87 -1.27 0.82 113.55 114.91 3hwk h SER 90 Ca 0.18 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3hwk h SER 90 Cb 0.16 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3hwk h SER 90 CO -0.18 0.79 0.05 -0.61 -0.53 0.00 0.00 176.83 176.35 3hwk h GLN 91 N 0.38 0.42 -0.70 2.24 4.15 -0.69 -0.00 115.11 120.91 3hwk h GLN 91 Ca 0.04 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3hwk h GLN 91 Cb 0.81 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 3hwk h GLN 91 CO 0.07 0.54 0.42 0.00 -1.93 0.00 0.00 178.83 177.92 3hwk h ARG 92 N 0.23 0.96 -0.32 1.69 3.08 -0.87 -2.05 114.38 117.10 3hwk h ARG 92 Ca 0.08 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hwk h ARG 92 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3hwk h ARG 92 CO 0.00 0.68 0.14 1.49 -1.07 0.00 0.00 179.97 181.22 3hwk h GLU 93 N 0.96 0.47 0.00 0.04 4.22 -0.53 -2.67 114.58 117.07 3hwk h GLU 93 Ca 0.25 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.56 3hwk h GLU 93 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hwk h GLU 93 CO -0.05 0.46 -0.24 0.00 -2.18 0.00 0.00 179.01 177.00 3hwk h ARG 94 N 0.38 0.00 -0.01 1.92 3.08 -0.93 -2.59 114.38 116.23 3hwk h ARG 94 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hwk h ARG 94 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hwk h ARG 94 CO -0.01 0.24 -0.05 0.00 -1.07 0.00 0.00 179.97 179.09 3hwk n ALA 95 N -2.37 2.69 -0.31 0.04 0.00 -0.78 -3.62 120.51 116.16 3hwk n ALA 95 Ca -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.16 3hwk n ALA 95 Cb 0.33 -1.33 0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.60 2.54 0.16 0.00 7.64 -0.98 -4.72 113.62 117.66 3hwk n SER 96 Ca 0.19 -2.27 0.04 0.00 1.01 0.00 0.00 58.87 57.84 3hwk n SER 96 Cb 0.25 -0.19 0.12 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.82 0.00 -6.78 1.43 3.08 -1.62 -3.34 114.38 107.97 3hwk h ARG 97 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3hwk h ARG 97 Cb 0.74 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.83 3hwk h ARG 97 CO 0.02 0.44 0.56 1.03 -1.07 0.00 0.00 179.97 180.96 3hwk s ARG 98 N -3.13 4.49 0.10 0.04 0.52 -1.26 -4.61 118.95 115.10 3hwk s ARG 98 Ca 0.03 1.97 -0.15 0.00 -0.52 0.00 0.00 55.73 57.06 3hwk s ARG 98 Cb 0.08 -3.17 -0.07 0.00 0.52 0.00 0.00 34.95 32.32 3hwk s ARG 98 CO 0.72 -0.03 0.52 0.14 0.02 0.00 0.00 175.30 176.68 3hwk s VAL 99 N -0.76 4.86 1.00 3.52 -7.23 -1.26 -4.99 120.40 115.55 3hwk s VAL 99 Ca 0.49 0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 61.46 3hwk s VAL 99 Cb -0.35 -3.77 0.19 0.00 0.56 0.00 0.00 36.38 33.01 3hwk s VAL 99 CO 0.43 0.39 1.08 -1.81 -0.31 0.00 0.00 175.10 174.88 3hwk s ASP 100 N -1.45 2.47 0.30 4.85 1.01 -1.26 -4.84 116.67 117.76 3hwk s ASP 100 Ca 0.33 1.42 0.04 0.00 0.71 0.00 0.00 52.55 55.05 3hwk s ASP 100 Cb -0.16 -2.11 0.67 0.00 1.01 0.00 0.00 42.92 42.33 3hwk s ASP 100 CO 0.18 -3.26 1.81 0.08 0.21 0.00 0.00 175.17 174.20 3hwk h ARG 101 N -1.98 0.83 -0.38 8.23 -0.00 -1.99 -1.80 114.38 117.31 3hwk h ARG 101 Ca -0.54 -0.05 0.08 0.00 -0.00 0.00 0.00 59.98 59.47 3hwk h ARG 101 Cb 1.31 -0.19 -0.08 0.00 -0.00 0.00 0.00 29.97 31.02 3hwk h ARG 101 CO 0.54 0.55 -0.15 1.03 -0.00 0.00 0.00 179.97 181.94 3hwk h SER 102 N 0.86 -0.52 -0.38 0.08 0.87 -1.99 -1.01 113.55 111.46 3hwk h SER 102 Ca 0.53 0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 61.07 3hwk h SER 102 Cb 0.71 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 3hwk h SER 102 CO -0.31 -0.18 -0.36 -0.03 -0.53 0.00 0.00 176.83 175.42 3hwk h MET 103 N -0.07 0.92 -0.24 2.24 -1.53 -1.78 -1.72 114.93 112.74 3hwk h MET 103 Ca 0.19 -0.48 -0.02 0.00 -3.44 0.00 0.00 59.70 55.95 3hwk h MET 103 Cb 0.36 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 3hwk h MET 103 CO -0.43 1.13 0.05 -0.07 0.14 0.00 0.00 176.91 177.73 3hwk h LEU 104 N 0.73 0.31 -0.04 3.39 3.38 -1.12 -0.44 115.31 121.52 3hwk h LEU 104 Ca 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hwk h LEU 104 Cb 0.95 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hwk h LEU 104 CO 0.09 0.33 -0.16 -1.28 0.09 0.00 0.00 178.44 177.51 3hwk h SER 105 N 0.34 0.21 -0.52 -0.43 0.87 -0.94 -1.34 113.55 111.73 3hwk h SER 105 Ca 0.08 -0.64 0.10 0.00 -1.23 0.00 0.00 61.79 60.11 3hwk h SER 105 Cb 0.16 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 61.97 3hwk h SER 105 CO -0.00 0.81 -0.04 0.25 -0.53 0.00 0.00 176.83 177.32 3hwk h LEU 106 N -0.39 -0.30 -1.03 2.23 5.85 -1.14 0.04 115.31 120.57 3hwk h LEU 106 Ca -0.01 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3hwk h LEU 106 Cb 0.80 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3hwk h LEU 106 CO 0.03 -0.11 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.58 3hwk h LEU 107 N 0.08 0.22 -0.83 2.25 3.38 -1.06 -0.47 115.31 118.88 3hwk h LEU 107 Ca 0.26 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3hwk h LEU 107 Cb 0.41 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hwk h LEU 107 CO -0.47 0.58 -0.56 0.00 0.09 0.00 0.00 178.44 178.08 3hwk h ALA 108 N 1.44 1.01 0.10 1.53 0.00 -0.76 -3.34 119.26 119.24 3hwk h ALA 108 Ca 0.02 -0.51 -0.29 0.00 0.00 0.00 0.00 54.91 54.12 3hwk h ALA 108 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hwk h ALA 108 CO 0.06 0.70 -1.47 -0.22 0.00 0.00 0.00 179.25 178.32 3hwk h LYS 109 N 0.00 0.22 -7.11 0.00 3.64 -0.16 -3.47 116.57 109.69 3hwk h LYS 109 Ca -0.01 -0.37 -0.54 0.00 -1.27 0.00 0.00 60.65 58.46 3hwk h LYS 109 Cb 1.03 0.14 0.14 0.00 -0.41 0.00 0.00 32.23 33.13 3hwk h LYS 109 CO 0.07 1.08 0.48 -0.51 -2.27 0.00 0.00 179.45 178.31 3hwk s LEU 110 N -6.92 3.59 0.45 5.20 1.43 -0.27 -4.93 118.68 117.23 3hwk s LEU 110 Ca -0.07 2.49 -0.25 0.00 -1.03 0.00 0.00 54.13 55.27 3hwk s LEU 110 Cb 0.07 -4.61 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 3hwk s LEU 110 CO 0.85 -1.85 1.35 -2.16 0.23 0.00 0.00 176.35 174.77 3hwk s PRO 111 N -3.41 3.70 0.00 1.29 0.04 -1.26 -4.88 135.00 130.47 3hwk s PRO 111 Ca 0.79 2.24 0.14 0.00 0.04 0.00 0.00 61.00 64.21 3hwk s PRO 111 Cb -0.33 -2.60 0.53 0.00 0.04 0.00 0.00 34.50 32.14 3hwk s PRO 111 CO 0.37 -0.74 1.39 -0.40 0.04 0.00 0.00 177.00 177.66 3hwk n ASP 112 N -0.25 1.24 0.00 6.66 3.85 -1.26 -3.69 116.55 123.10 3hwk n ASP 112 Ca 0.06 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 3hwk n ASP 112 Cb 0.43 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.09 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 0.10 1.80 -4.16 -1.12 0.23 -1.26 -4.90 115.26 105.96 3hwk n ASN 113 Ca 0.12 -1.85 -0.30 0.00 -0.53 0.00 0.00 54.58 52.02 3hwk n ASN 113 Cb 0.23 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.11 3hwk n ASN 113 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwk s HIS 115 N -3.73 3.74 0.63 0.00 2.46 -1.26 -4.91 115.29 112.21 3hwk s HIS 115 Ca 0.72 1.73 0.31 0.00 0.47 0.00 0.00 55.06 58.30 3hwk s HIS 115 Cb -0.05 -3.13 1.73 0.00 -0.13 0.00 0.00 32.58 30.99 3hwk s HIS 115 CO 0.53 -0.09 2.04 -1.35 -2.47 0.00 0.00 174.74 173.40 3hwk h PRO 116 N 5.36 0.00 0.00 2.88 0.11 -1.96 0.25 132.00 138.64 3hwk h PRO 116 Ca -0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3hwk h PRO 116 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hwk h PRO 116 CO 0.72 0.00 -0.24 0.52 -0.21 0.00 0.00 178.00 178.79 3hwk h MET 117 N 0.00 0.00 -0.32 1.05 2.86 -1.91 -2.69 114.93 113.93 3hwk h MET 117 Ca 0.06 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 3hwk h MET 117 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3hwk h MET 117 CO -0.00 0.24 -0.28 -0.44 1.06 0.00 0.00 176.91 177.50 3hwk h ASP 118 N 0.00 0.66 -0.29 1.22 3.32 -0.87 -0.56 116.42 119.89 3hwk h ASP 118 Ca -0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 3hwk h ASP 118 Cb 0.54 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3hwk h ASP 118 CO 0.03 0.91 0.01 0.58 -1.72 0.00 0.00 179.24 179.05 3hwk h VAL 119 N 0.56 1.25 -0.20 -1.35 2.07 -1.48 -1.01 116.25 116.10 3hwk h VAL 119 Ca 0.07 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3hwk h VAL 119 Cb 0.76 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3hwk h VAL 119 CO 0.06 0.29 0.05 0.58 0.02 0.00 0.00 177.57 178.57 3hwk h VAL 120 N 0.30 1.21 -0.54 2.57 2.07 -1.40 0.16 116.25 120.61 3hwk h VAL 120 Ca 0.08 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 67.05 3hwk h VAL 120 Cb 0.42 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 3hwk h VAL 120 CO 0.01 0.21 -0.01 -0.09 0.02 0.00 0.00 177.57 177.71 3hwk h ARG 121 N 0.13 0.11 -0.27 1.57 2.43 -1.05 -0.86 114.38 116.43 3hwk h ARG 121 Ca 0.06 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3hwk h ARG 121 Cb 0.27 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3hwk h ARG 121 CO 0.00 0.07 -0.51 1.15 -1.51 0.00 0.00 179.97 179.18 3hwk h THR 122 N 0.11 1.28 -0.20 0.20 2.02 -0.96 -2.40 112.91 112.96 3hwk h THR 122 Ca 0.28 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 3hwk h THR 122 Cb 0.43 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3hwk h THR 122 CO -0.46 0.55 0.09 0.00 0.37 0.00 0.00 175.52 176.07 3hwk h ALA 123 N 0.66 0.26 -0.74 6.16 0.00 -0.31 0.78 119.26 126.08 3hwk h ALA 123 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hwk h ALA 123 Cb 1.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3hwk h ALA 123 CO 0.11 -0.16 0.47 0.82 0.00 0.00 0.00 179.25 180.49 3hwk h ILE 124 N 0.19 1.13 -0.85 0.00 1.08 -1.22 0.14 117.51 117.98 3hwk h ILE 124 Ca 0.07 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.18 3hwk h ILE 124 Cb 0.14 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 3hwk h ILE 124 CO -0.01 0.17 0.40 -1.28 -0.69 0.00 0.00 178.15 176.74 3hwk h SER 125 N 0.94 1.12 -0.25 1.72 0.87 -1.15 -1.47 113.55 115.33 3hwk h SER 125 Ca 0.29 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3hwk h SER 125 Cb -0.03 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3hwk h SER 125 CO -0.09 0.95 0.02 0.22 -0.53 0.00 0.00 176.83 177.39 3hwk h TYR 126 N 1.21 0.47 -0.82 2.24 3.20 -0.27 -2.60 116.97 120.41 3hwk h TYR 126 Ca 0.29 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hwk h TYR 126 Cb 0.13 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3hwk h TYR 126 CO 0.02 0.57 0.54 -0.07 -1.64 0.00 0.00 178.16 177.58 3hwk h LEU 127 N 0.23 0.91 -0.22 2.82 3.38 -0.56 -2.20 115.31 119.67 3hwk h LEU 127 Ca 0.07 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hwk h LEU 127 Cb 0.37 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hwk h LEU 127 CO 0.01 0.65 0.05 1.23 0.09 0.00 0.00 178.44 180.47 3hwk h GLY 128 N 1.07 0.25 1.27 0.83 0.00 -1.17 -1.63 103.07 103.68 3hwk h GLY 128 Ca 0.31 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.70 3hwk h GLY 128 CO -0.08 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.77 3hwk h ALA 129 N 1.15 2.12 0.00 3.60 0.00 -1.02 -2.34 119.26 122.77 3hwk h ALA 129 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 129 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hwk h ALA 129 CO -0.12 -0.22 -0.44 0.39 0.00 0.00 0.00 179.25 178.87 3hwk n GLU 130 N -4.46 0.21 -3.01 0.00 1.02 -0.79 -4.82 120.64 108.79 3hwk n GLU 130 Ca 0.06 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 3hwk n GLU 130 Cb 0.35 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3hwk n GLU 130 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hwk s ASP 131 N -3.95 6.55 0.57 1.62 -1.08 -0.68 -4.92 116.67 114.79 3hwk s ASP 131 Ca 0.09 0.42 0.35 0.00 -0.52 0.00 0.00 52.55 52.88 3hwk s ASP 131 Cb 0.14 -2.38 1.62 0.00 -1.46 0.00 0.00 42.92 40.84 3hwk s ASP 131 CO 0.68 -0.63 2.08 -0.65 0.52 0.00 0.00 175.17 177.17 3hwk h PRO 132 N 8.33 0.00 -0.47 4.34 0.11 -1.87 -2.07 132.00 140.37 3hwk h PRO 132 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3hwk h PRO 132 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hwk h PRO 132 CO 0.87 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.44 3hwk n ASP 133 N -3.17 2.47 -0.17 -2.05 8.00 -1.26 -4.61 116.55 115.76 3hwk n ASP 133 Ca -0.01 -2.05 -0.02 0.00 0.71 0.00 0.00 54.79 53.43 3hwk n ASP 133 Cb 0.25 -0.32 0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3hwk n ASP 133 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3hwk h GLU 134 N 2.55 0.08 -0.39 -1.24 4.81 -1.65 -1.50 114.58 117.24 3hwk h GLU 134 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hwk h GLU 134 Cb 0.65 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3hwk h GLU 134 CO 0.02 0.06 0.00 -0.25 -0.73 0.00 0.00 179.01 178.11 3hwk n ASP 135 N -5.28 2.35 -4.37 1.04 8.00 -1.26 -4.27 116.55 112.77 3hwk n ASP 135 Ca 0.06 -1.94 -0.45 0.00 0.71 0.00 0.00 54.79 53.17 3hwk n ASP 135 Cb 0.29 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3hwk n ASP 135 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hwk s ASP 136 N -1.15 6.18 0.50 -2.24 2.15 -0.56 -4.94 116.67 116.61 3hwk s ASP 136 Ca 0.31 -1.46 0.21 0.00 0.43 0.00 0.00 52.55 52.05 3hwk s ASP 136 Cb 0.17 -2.24 1.31 0.00 -0.30 0.00 0.00 42.92 41.85 3hwk s ASP 136 CO 0.23 -0.89 2.08 0.00 -0.17 0.00 0.00 175.17 176.42 3hwk h ALA 137 N 8.96 1.58 0.00 3.66 0.00 -1.85 -1.09 119.26 130.51 3hwk h ALA 137 Ca -0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hwk h ALA 137 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hwk h ALA 137 CO 1.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 180.40 3hwk n ALA 138 N -2.41 1.60 -0.48 0.00 0.00 -1.26 -2.08 120.51 115.88 3hwk n ALA 138 Ca -0.02 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3hwk n ALA 138 Cb 0.20 -1.28 0.33 0.00 0.00 0.00 0.00 19.45 18.70 3hwk n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwk n ALA 139 N -1.61 2.67 -0.26 0.00 0.00 -0.41 -4.66 120.51 116.24 3hwk n ALA 139 Ca 0.03 -1.44 0.06 0.00 0.00 0.00 0.00 53.44 52.09 3hwk n ALA 139 Cb 0.18 -0.94 0.19 0.00 0.00 0.00 0.00 19.45 18.88 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 4.10 0.20 -0.88 0.00 2.35 -1.52 -1.90 115.58 117.93 3hwk h ASN 140 Ca 0.00 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3hwk h ASN 140 Cb 1.18 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 39.62 3hwk h ASN 140 CO 0.10 0.06 0.56 0.03 -1.65 0.00 0.00 177.43 176.53 3hwk h ARG 141 N 0.39 1.05 -0.25 0.81 3.08 -1.86 0.11 114.38 117.71 3hwk h ARG 141 Ca 0.42 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.24 3hwk h ARG 141 Cb 0.68 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3hwk h ARG 141 CO -0.44 0.69 -0.51 0.00 -1.07 0.00 0.00 179.97 178.64 3hwk h ALA 142 N 1.37 0.62 -0.41 0.04 0.00 -1.79 -2.28 119.26 116.81 3hwk h ALA 142 Ca 0.36 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3hwk h ALA 142 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hwk h ALA 142 CO -0.13 0.68 -0.07 0.87 0.00 0.00 0.00 179.25 180.60 3hwk h LYS 143 N 0.56 0.78 -0.68 0.00 1.57 -0.71 -1.38 116.57 116.72 3hwk h LYS 143 Ca 0.02 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3hwk h LYS 143 Cb 1.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 3hwk h LYS 143 CO 0.11 0.89 0.27 0.00 -0.57 0.00 0.00 179.45 180.14 3hwk h ALA 144 N 0.86 0.89 -0.56 3.86 0.00 -0.94 -1.27 119.26 122.09 3hwk h ALA 144 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwk h ALA 144 Cb 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3hwk h ALA 144 CO 0.04 0.51 0.35 1.98 0.00 0.00 0.00 179.25 182.13 3hwk h MET 145 N 0.97 0.76 -0.81 0.00 1.85 -1.29 -1.33 114.93 115.07 3hwk h MET 145 Ca 0.23 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.23 3hwk h MET 145 Cb 0.22 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 32.05 3hwk h MET 145 CO -0.02 0.53 0.40 0.00 -0.40 0.00 0.00 176.91 177.43 3hwk h ARG 146 N 0.76 1.17 -0.32 0.39 3.08 -0.63 -1.78 114.38 117.04 3hwk h ARG 146 Ca 0.20 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3hwk h ARG 146 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3hwk h ARG 146 CO -0.04 0.90 -0.21 0.52 -1.07 0.00 0.00 179.97 180.07 3hwk h MET 147 N 1.15 0.71 -0.78 0.04 2.86 -1.01 -2.29 114.93 115.61 3hwk h MET 147 Ca 0.28 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3hwk h MET 147 Cb 0.11 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3hwk h MET 147 CO -0.04 0.94 0.34 1.98 1.06 0.00 0.00 176.91 181.19 3hwk h MET 148 N 0.48 1.15 -0.10 1.72 1.85 -1.11 -2.17 114.93 116.74 3hwk h MET 148 Ca 0.07 -0.19 -0.18 0.00 -0.61 0.00 0.00 59.70 58.79 3hwk h MET 148 Cb 0.76 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.58 3hwk h MET 148 CO 0.06 0.91 -0.69 0.00 -0.40 0.00 0.00 176.91 176.79 3hwk h ALA 149 N 1.24 0.61 0.00 0.39 0.00 -1.23 -3.34 119.26 116.93 3hwk h ALA 149 Ca 0.27 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3hwk h ALA 149 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hwk h ALA 149 CO -0.03 0.74 -1.49 1.55 0.00 0.00 0.00 179.25 180.02 3hwk n VAL 150 N -3.87 1.06 -0.10 0.00 3.14 -0.87 -4.34 118.33 113.35 3hwk n VAL 150 Ca -0.04 -0.68 -0.06 0.00 -2.96 0.00 0.00 64.34 60.61 3hwk n VAL 150 Cb 0.68 -0.62 0.01 0.00 -1.06 0.00 0.00 33.84 32.85 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 -0.30 -1.39 6.55 3.38 -1.51 -1.82 115.31 120.23 3hwk h LEU 151 Ca -0.17 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.01 3hwk h LEU 151 Cb 1.53 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 3hwk h LEU 151 CO 0.04 -0.10 0.51 -0.65 0.09 0.00 0.00 178.44 178.32 3hwk h PRO 152 N 0.01 0.66 -0.59 1.13 0.11 -1.78 -0.18 132.00 131.36 3hwk h PRO 152 Ca 0.17 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3hwk h PRO 152 Cb 0.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3hwk h PRO 152 CO -0.35 0.43 0.29 1.15 -0.21 0.00 0.00 178.00 179.32 3hwk h THR 153 N 0.68 1.21 -0.13 -1.15 2.02 -1.58 -0.40 112.91 113.56 3hwk h THR 153 Ca 0.36 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3hwk h THR 153 Cb 0.49 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3hwk h THR 153 CO -0.13 0.23 -0.02 0.40 0.37 0.00 0.00 175.52 176.36 3hwk h ILE 154 N 0.80 1.28 -0.62 3.11 2.04 -0.78 -2.11 117.51 121.24 3hwk h ILE 154 Ca 0.20 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3hwk h ILE 154 Cb 0.10 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3hwk h ILE 154 CO -0.03 0.27 0.31 0.58 0.00 0.00 0.00 178.15 179.29 3hwk h VAL 155 N -0.07 1.21 -0.44 1.67 2.07 -0.97 -0.83 116.25 118.89 3hwk h VAL 155 Ca 0.03 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3hwk h VAL 155 Cb 0.43 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3hwk h VAL 155 CO 0.01 0.23 0.05 0.00 0.02 0.00 0.00 177.57 177.88 3hwk h ALA 156 N 1.14 0.59 -0.65 1.67 0.00 -1.06 -0.39 119.26 120.56 3hwk h ALA 156 Ca 0.21 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hwk h ALA 156 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3hwk h ALA 156 CO -0.03 0.34 0.40 0.82 0.00 0.00 0.00 179.25 180.77 3hwk h ILE 157 N 0.60 1.06 -0.34 0.00 2.04 -1.09 -0.88 117.51 118.90 3hwk h ILE 157 Ca 0.13 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3hwk h ILE 157 Cb 0.42 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3hwk h ILE 157 CO 0.01 0.14 0.05 -0.78 0.00 0.00 0.00 178.15 177.57 3hwk h ASP 158 N 0.77 0.54 -0.63 1.72 3.58 -0.89 0.54 116.42 122.05 3hwk h ASP 158 Ca 0.27 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3hwk h ASP 158 Cb 0.05 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 3hwk h ASP 158 CO -0.12 0.67 0.36 -0.03 -2.88 0.00 0.00 179.24 177.24 3hwk h MET 159 N 0.39 0.86 -0.20 0.28 4.05 -0.79 -2.94 114.93 116.58 3hwk h MET 159 Ca 0.10 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 3hwk h MET 159 Cb 0.36 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3hwk h MET 159 CO 0.01 0.64 -0.36 0.00 0.23 0.00 0.00 176.91 177.43 3hwk h ARG 160 N 0.85 0.60 -0.44 0.39 3.08 -0.87 -3.14 114.38 114.85 3hwk h ARG 160 Ca 0.22 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 59.95 3hwk h ARG 160 Cb 0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3hwk h ARG 160 CO -0.04 0.99 0.30 0.07 -1.07 0.00 0.00 179.97 180.22 3hwk h ARG 161 N 0.28 0.35 0.00 0.04 0.11 -0.83 0.05 114.38 114.38 3hwk h ARG 161 Ca 0.01 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3hwk h ARG 161 Cb 0.95 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.95 3hwk h ARG 161 CO 0.08 0.23 0.00 0.54 0.10 0.00 0.00 179.97 180.93 3hwk n ARG 162 N -4.48 0.24 -0.16 0.08 1.74 -1.12 -1.54 116.66 111.42 3hwk n ARG 162 Ca 0.06 0.34 0.11 0.00 -0.77 0.00 0.00 57.85 57.59 3hwk n ARG 162 Cb 0.25 -1.86 0.25 0.00 -1.02 0.00 0.00 32.46 30.07 3hwk n ARG 162 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hwk n ARG 163 N -2.29 2.32 -1.04 5.56 1.74 -0.17 -4.95 116.66 117.82 3hwk n ARG 163 Ca 0.04 -1.99 -0.01 0.00 -0.77 0.00 0.00 57.85 55.11 3hwk n ARG 163 Cb 0.32 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.41 0.51 3.81 -0.13 0.00 -0.59 -5.05 105.19 105.16 3hwk n GLY 164 Ca 0.18 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.33 4.04 0.66 0.99 1.43 -0.18 -4.96 118.68 120.33 3hwk s LEU 165 Ca 0.00 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3hwk s LEU 165 Cb 0.00 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 3hwk s LEU 165 CO 0.00 0.31 1.05 -2.16 0.23 0.00 0.00 176.35 175.78 3hwk s PRO 166 N -1.55 3.19 0.62 1.29 0.04 -1.26 -3.09 135.00 134.24 3hwk s PRO 166 Ca 0.21 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.62 3hwk s PRO 166 Cb -0.12 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3hwk s PRO 166 CO 0.12 -0.81 1.29 -2.14 0.04 0.00 0.00 177.00 175.50 3hwk s PRO 167 N -5.26 2.70 -0.20 0.56 0.02 -1.26 -4.91 135.00 126.65 3hwk s PRO 167 Ca 0.56 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.60 3hwk s PRO 167 Cb -0.11 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 3hwk s PRO 167 CO 0.52 -1.48 -0.01 0.42 -0.33 0.00 0.00 177.00 176.12 3hwk s ILE 168 N -1.41 3.82 0.69 2.83 1.01 -1.26 -5.11 121.20 121.78 3hwk s ILE 168 Ca 0.80 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 3hwk s ILE 168 Cb -0.37 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.38 3hwk s ILE 168 CO 0.40 0.43 1.25 0.00 0.00 0.00 0.00 174.94 177.02 3hwk n ALA 169 N 4.31 0.81 -1.71 9.38 0.00 -1.26 -4.74 120.51 127.31 3hwk n ALA 169 Ca -0.17 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 3hwk n ALA 169 Cb 0.52 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.72 3hwk n ALA 169 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hwk s PRO 170 N -3.53 2.74 -0.20 0.00 0.02 -1.26 -4.82 135.00 127.95 3hwk s PRO 170 Ca 0.80 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3hwk s PRO 170 Cb -0.36 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.29 3hwk s PRO 170 CO 0.43 -1.41 -0.16 -1.58 -0.33 0.00 0.00 177.00 173.95 3hwk s HIS 171 N -1.56 2.86 -1.15 6.54 2.46 -1.26 -5.02 115.29 118.17 3hwk s HIS 171 Ca 0.79 -1.60 0.23 0.00 0.47 0.00 0.00 55.06 54.94 3hwk s HIS 171 Cb -0.33 -1.96 1.03 0.00 -0.13 0.00 0.00 32.58 31.19 3hwk s HIS 171 CO 0.37 -0.78 1.73 -1.13 -2.47 0.00 0.00 174.74 172.46 3hwk n SER 172 N 4.63 0.00 -0.28 9.88 3.41 -1.26 -1.94 113.62 128.06 3hwk n SER 172 Ca -0.20 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 3hwk n SER 172 Cb 0.49 -0.43 0.50 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.76 -0.51 3.64 5.00 0.00 -1.26 -4.91 105.19 107.91 3hwk n GLY 173 Ca 0.07 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.32 3.34 1.03 0.99 1.43 -0.82 -5.10 118.68 117.23 3hwk s LEU 174 Ca 0.30 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 3hwk s LEU 174 Cb 0.20 -1.89 0.21 0.00 0.03 0.00 0.00 46.19 44.74 3hwk s LEU 174 CO 0.45 0.30 1.17 -0.83 0.23 0.00 0.00 176.35 177.67 3hwk s GLY 175 N -1.39 1.63 0.14 -3.19 0.00 -1.26 -4.63 107.32 98.63 3hwk s GLY 175 Ca 0.17 -0.85 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 3hwk s GLY 175 CO 0.08 -0.11 1.60 -1.82 0.00 0.00 0.00 173.10 172.85 3hwk h TYR 176 N -1.95 -0.96 -0.05 1.90 5.03 -1.98 0.33 116.97 119.29 3hwk h TYR 176 Ca -0.47 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 60.88 3hwk h TYR 176 Cb 1.29 0.45 -0.00 0.00 1.55 0.00 0.00 36.73 40.02 3hwk h TYR 176 CO -0.95 -0.41 0.01 0.00 -1.32 0.00 0.00 178.16 175.49 3hwk h ALA 177 N 0.44 0.07 -0.75 1.82 0.00 -1.95 -1.93 119.26 116.96 3hwk h ALA 177 Ca 0.11 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 177 Cb 0.56 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3hwk h ALA 177 CO -0.41 -0.30 0.45 1.96 0.00 0.00 0.00 179.25 180.95 3hwk h GLN 178 N -0.14 0.81 -0.31 0.00 4.20 -1.86 -2.81 115.11 115.00 3hwk h GLN 178 Ca 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3hwk h GLN 178 Cb 0.25 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3hwk h GLN 178 CO 0.00 0.54 0.08 -0.97 -0.67 0.00 0.00 178.83 177.81 3hwk h ASN 179 N 0.83 0.47 -0.41 1.46 -1.24 -0.12 -1.30 115.58 115.26 3hwk h ASN 179 Ca 0.33 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3hwk h ASN 179 Cb 0.15 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3hwk h ASN 179 CO -0.17 0.56 0.26 0.15 -1.29 0.00 0.00 177.43 176.95 3hwk h PHE 180 N 0.34 0.53 -0.80 0.67 3.04 -1.22 0.49 116.94 120.00 3hwk h PHE 180 Ca 0.10 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 3hwk h PHE 180 Cb 0.27 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 3hwk h PHE 180 CO 0.01 0.36 0.41 -0.07 -2.02 0.00 0.00 178.31 176.99 3hwk h LEU 181 N 0.55 1.03 -0.43 0.59 3.38 -1.41 -1.39 115.31 117.63 3hwk h LEU 181 Ca 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 181 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3hwk h LEU 181 CO -0.03 0.86 0.21 -0.74 0.09 0.00 0.00 178.44 178.83 3hwk h HIS 182 N 1.12 0.61 0.00 1.13 2.76 -0.71 -0.60 115.15 119.47 3hwk h HIS 182 Ca 0.28 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 3hwk h HIS 182 Cb 0.09 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3hwk h HIS 182 CO 0.01 0.49 -0.23 0.52 -1.30 0.00 0.00 177.93 177.42 3hwk h MET 183 N 0.55 0.00 0.05 5.26 2.86 -0.63 0.44 114.93 123.46 3hwk h MET 183 Ca 0.15 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.54 3hwk h MET 183 Cb 0.10 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.79 3hwk h MET 183 CO -0.02 0.23 -1.01 0.00 1.06 0.00 0.00 176.91 177.17 3hwk n PHE 185 N -3.92 0.00 0.00 0.00 3.72 -0.26 -4.92 117.46 112.08 3hwk n PHE 185 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hwk n PHE 185 Cb 0.87 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 1.99 0.58 3.12 1.37 0.00 0.15 -4.99 105.19 107.41 3hwk n GLY 186 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hwk n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwk s GLU 187 N -0.83 0.36 -0.22 1.61 2.12 -1.25 -4.99 118.70 115.50 3hwk s GLU 187 Ca 0.00 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.13 3hwk s GLU 187 Cb 0.00 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 3hwk s GLU 187 CO 0.00 -0.07 1.34 0.08 -0.54 0.00 0.00 175.26 176.07 3hwk s VAL 188 N -0.39 4.12 0.63 3.70 1.01 -1.26 -4.02 120.40 124.19 3hwk s VAL 188 Ca -0.05 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 3hwk s VAL 188 Cb -0.03 -4.00 0.15 0.00 0.00 0.00 0.00 36.38 32.50 3hwk s VAL 188 CO 0.01 -0.29 0.64 -0.81 0.00 0.00 0.00 175.10 174.64 3hwk n PRO 189 N 7.06 -1.72 -1.62 2.72 -0.04 -1.26 -4.97 135.00 135.16 3hwk n PRO 189 Ca 0.15 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.18 3hwk n PRO 189 Cb 0.45 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 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 -3.08 1.48 -0.31 0.54 4.71 -1.26 -4.70 120.64 118.02 3hwk n GLU 190 Ca 0.09 0.53 0.16 0.00 -0.01 0.00 0.00 57.16 57.92 3hwk n GLU 190 Cb 0.32 -2.06 0.40 0.00 -1.01 0.00 0.00 31.44 29.08 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 1.78 0.69 -0.75 2.62 2.02 -1.99 0.65 112.91 117.93 3hwk h THR 191 Ca -0.44 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 66.58 3hwk h THR 191 Cb 1.33 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 3hwk h THR 191 CO 0.58 0.11 0.49 0.00 0.37 0.00 0.00 175.52 177.08 3hwk h ALA 192 N 1.63 1.65 -0.09 6.16 0.00 -1.99 0.18 119.26 126.79 3hwk h ALA 192 Ca 0.54 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.32 3hwk h ALA 192 Cb 1.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hwk h ALA 192 CO -0.30 0.24 -0.34 0.28 0.00 0.00 0.00 179.25 179.14 3hwk h VAL 193 N 0.82 1.40 -0.50 0.00 2.07 -1.23 -2.32 116.25 116.49 3hwk h VAL 193 Ca 0.32 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 66.21 3hwk h VAL 193 Cb 0.20 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3hwk h VAL 193 CO -0.10 0.49 0.20 0.58 0.02 0.00 0.00 177.57 178.76 3hwk h VAL 194 N -0.06 0.87 -0.25 2.57 2.07 -0.98 -1.53 116.25 118.94 3hwk h VAL 194 Ca -0.02 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 3hwk h VAL 194 Cb 0.97 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hwk h VAL 194 CO 0.07 0.07 -0.51 -1.28 0.02 0.00 0.00 177.57 175.94 3hwk h SER 195 N 0.40 0.78 -0.34 0.57 0.87 -0.69 -0.35 113.55 114.78 3hwk h SER 195 Ca 0.23 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 3hwk h SER 195 Cb 0.21 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3hwk h SER 195 CO -0.21 1.15 0.02 0.00 -0.53 0.00 0.00 176.83 177.25 3hwk h ALA 196 N 0.87 1.23 -0.07 6.23 0.00 -1.25 -0.89 119.26 125.39 3hwk h ALA 196 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hwk h ALA 196 Cb 1.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hwk h ALA 196 CO 0.11 0.51 -0.07 0.35 0.00 0.00 0.00 179.25 180.14 3hwk h PHE 197 N 0.65 0.20 -0.99 0.00 3.57 -0.91 -2.14 116.94 117.32 3hwk h PHE 197 Ca 0.13 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3hwk h PHE 197 Cb 0.38 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 3hwk h PHE 197 CO 0.02 0.62 0.63 1.49 -2.23 0.00 0.00 178.31 178.84 3hwk h GLU 198 N -0.28 1.05 -0.50 1.11 4.81 -0.95 -1.19 114.58 118.62 3hwk h GLU 198 Ca 0.01 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3hwk h GLU 198 Cb 0.59 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3hwk h GLU 198 CO 0.02 0.69 0.16 1.96 -0.73 0.00 0.00 179.01 181.11 3hwk h GLN 199 N 1.08 0.78 -1.00 1.92 4.20 -1.09 -1.74 115.11 119.27 3hwk h GLN 199 Ca 0.45 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 59.06 3hwk h GLN 199 Cb 0.30 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.90 3hwk h GLN 199 CO -0.21 0.73 0.65 1.03 -0.67 0.00 0.00 178.83 180.35 3hwk h SER 200 N 0.68 1.03 -0.18 1.46 0.87 -0.82 0.46 113.55 117.04 3hwk h SER 200 Ca 0.16 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3hwk h SER 200 Cb 0.28 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3hwk h SER 200 CO -0.00 0.65 -0.08 0.24 -0.53 0.00 0.00 176.83 177.10 3hwk h MET 201 N 1.16 0.53 -0.18 2.24 2.86 -0.88 -0.81 114.93 119.85 3hwk h MET 201 Ca 0.44 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.78 3hwk h MET 201 Cb 0.20 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hwk h MET 201 CO -0.18 0.61 -0.50 0.82 1.06 0.00 0.00 176.91 178.72 3hwk h ILE 202 N 0.49 1.32 -0.24 -1.22 2.04 -0.52 -3.08 117.51 116.30 3hwk h ILE 202 Ca 0.10 -1.74 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 3hwk h ILE 202 Cb 0.44 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3hwk h ILE 202 CO 0.02 0.54 -0.19 -0.07 0.00 0.00 0.00 178.15 178.46 3hwk h LEU 203 N 0.33 0.41 0.00 1.44 3.38 -0.71 -3.02 115.31 117.14 3hwk h LEU 203 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hwk h LEU 203 Cb 1.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hwk h LEU 203 CO 0.11 0.62 -0.29 -1.22 0.09 0.00 0.00 178.44 177.75 3hwk n TYR 204 N -4.17 0.08 -0.31 1.13 4.01 -0.33 -4.53 117.16 113.04 3hwk n TYR 204 Ca -0.00 0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 3hwk n TYR 204 Cb 0.35 -0.41 0.09 0.00 -0.31 0.00 0.00 39.34 39.06 3hwk n TYR 204 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hwk h ALA 205 N 2.94 1.09 -2.81 -0.72 0.00 -1.43 -3.35 119.26 114.98 3hwk h ALA 205 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3hwk h ALA 205 Cb 0.53 -0.32 -0.25 0.00 0.00 0.00 0.00 17.79 17.75 3hwk h ALA 205 CO 0.00 0.43 -0.28 -2.00 0.00 0.00 0.00 179.25 177.40 3hwk s GLU 206 N -6.12 0.43 -0.39 0.00 2.56 -1.26 -1.52 118.70 112.41 3hwk s GLU 206 Ca -0.13 0.55 0.10 0.00 0.00 0.00 0.00 54.97 55.49 3hwk s GLU 206 Cb 0.16 0.19 0.40 0.00 2.00 0.00 0.00 34.13 36.88 3hwk s GLU 206 CO 0.79 -0.06 1.33 1.58 -0.56 0.00 0.00 175.26 178.34 3hwk n HIS 207 N 3.02 -2.05 -4.72 5.30 -0.00 -1.26 -5.08 115.22 110.43 3hwk n HIS 207 Ca -0.14 -2.00 0.00 0.00 0.46 0.00 0.00 57.72 56.04 3hwk n HIS 207 Cb 0.57 1.38 0.00 0.00 -0.12 0.00 0.00 29.99 31.83 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 -0.60 0.86 2.52 1.57 0.00 -1.26 -3.66 105.19 104.62 3hwk n GLY 208 Ca -0.03 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 1.82 2.06 -0.72 1.61 3.01 -1.26 -4.75 117.46 119.23 3hwk n PHE 209 Ca 0.00 -2.27 -0.29 0.00 1.01 0.00 0.00 57.45 55.90 3hwk n PHE 209 Cb 0.00 -1.50 0.23 0.00 -0.01 0.00 0.00 39.48 38.20 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 0.17 1.53 0.23 4.37 2.20 -1.24 -4.60 114.94 117.60 3hwk s ASN 210 Ca 0.56 1.48 -0.07 0.00 -0.94 0.00 0.00 52.86 53.88 3hwk s ASN 210 Cb 0.32 -2.21 0.26 0.00 -2.00 0.00 0.00 41.25 37.62 3hwk s ASN 210 CO -0.19 -3.86 1.87 0.00 -2.94 0.00 0.00 177.10 171.99 3hwk h ALA 211 N -2.39 1.12 -0.20 3.54 0.00 -1.95 0.21 119.26 119.60 3hwk h ALA 211 Ca -0.59 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3hwk h ALA 211 Cb 1.33 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hwk h ALA 211 CO 0.52 0.37 -0.24 0.66 0.00 0.00 0.00 179.25 180.56 3hwk h SER 212 N 1.05 0.55 -0.55 0.00 4.64 -1.87 0.31 113.55 117.68 3hwk h SER 212 Ca 0.34 -0.50 0.02 0.00 -0.47 0.00 0.00 61.79 61.18 3hwk h SER 212 Cb 0.02 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3hwk h SER 212 CO -0.12 0.94 0.34 0.74 -0.87 0.00 0.00 176.83 177.86 3hwk h THR 213 N 0.18 1.08 -0.72 2.95 2.02 -1.80 -1.89 112.91 114.72 3hwk h THR 213 Ca 0.03 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3hwk h THR 213 Cb 0.81 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3hwk h THR 213 CO 0.06 0.12 0.31 0.15 0.37 0.00 0.00 175.52 176.53 3hwk h PHE 214 N 0.68 1.07 -0.93 3.16 3.57 -0.39 -1.74 116.94 122.37 3hwk h PHE 214 Ca 0.22 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3hwk h PHE 214 Cb -0.00 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.34 3hwk h PHE 214 CO -0.05 0.81 0.58 0.00 -2.23 0.00 0.00 178.31 177.42 3hwk h ALA 215 N 1.15 1.31 -0.14 2.41 0.00 -0.04 -0.91 119.26 123.04 3hwk h ALA 215 Ca 0.24 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3hwk h ALA 215 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hwk h ALA 215 CO -0.02 0.31 -0.37 0.00 0.00 0.00 0.00 179.25 179.16 3hwk h ALA 216 N 1.45 1.12 -0.16 0.00 0.00 -0.64 -1.47 119.26 119.55 3hwk h ALA 216 Ca 0.42 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3hwk h ALA 216 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hwk h ALA 216 CO -0.20 0.57 -0.43 0.00 0.00 0.00 0.00 179.25 179.20 3hwk h ARG 217 N 0.25 0.57 -0.60 0.00 3.08 -0.78 -1.34 114.38 115.56 3hwk h ARG 217 Ca 0.03 -0.40 0.09 0.00 0.07 0.00 0.00 59.98 59.76 3hwk h ARG 217 Cb 0.77 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.82 3hwk h ARG 217 CO 0.06 1.02 0.24 0.28 -1.07 0.00 0.00 179.97 180.49 3hwk h VAL 218 N 0.21 0.80 -0.33 2.04 2.07 -0.99 0.50 116.25 120.56 3hwk h VAL 218 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3hwk h VAL 218 Cb 1.04 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3hwk h VAL 218 CO 0.09 0.08 0.11 0.58 0.02 0.00 0.00 177.57 178.45 3hwk h VAL 219 N 0.43 1.20 -0.28 2.57 2.07 -1.26 -2.95 116.25 118.03 3hwk h VAL 219 Ca 0.29 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3hwk h VAL 219 Cb 0.34 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3hwk h VAL 219 CO -0.28 0.22 -0.06 0.74 0.02 0.00 0.00 177.57 178.20 3hwk h THR 220 N 0.37 1.20 -0.02 2.57 2.02 -0.52 -2.89 112.91 115.64 3hwk h THR 220 Ca 0.11 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3hwk h THR 220 Cb 0.23 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hwk h THR 220 CO -0.00 0.28 0.26 0.77 0.37 0.00 0.00 175.52 177.19 3hwk h SER 221 N 0.42 0.00 -0.27 4.18 4.64 0.16 0.18 113.55 122.86 3hwk h SER 221 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3hwk h SER 221 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hwk h SER 221 CO 0.02 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3hwk n THR 222 N -3.00 0.34 -1.53 2.95 -2.24 -1.09 -3.77 114.28 105.94 3hwk n THR 222 Ca -0.02 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 3hwk n THR 222 Cb 0.32 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.78 -0.66 -1.40 -0.78 6.02 0.61 -5.06 117.38 116.90 3hwk n GLN 223 Ca 0.17 0.71 -0.31 0.00 -0.01 0.00 0.00 57.00 57.56 3hwk n GLN 223 Cb 0.43 -4.63 0.08 0.00 1.02 0.00 0.00 30.24 27.14 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 -2.81 4.76 0.82 1.08 0.15 -1.25 -5.05 113.70 111.39 3hwk s SER 224 Ca 0.00 1.67 -0.12 0.00 0.70 0.00 0.00 55.95 58.20 3hwk s SER 224 Cb 0.00 -2.44 0.08 0.00 -1.71 0.00 0.00 66.02 61.95 3hwk s SER 224 CO 0.00 -1.85 1.12 1.51 1.20 0.00 0.00 173.24 175.22 3hwk s ASP 225 N -3.60 4.38 0.32 5.45 -4.77 -1.26 -4.65 116.67 112.53 3hwk s ASP 225 Ca 0.60 1.13 0.02 0.00 -3.30 0.00 0.00 52.55 51.00 3hwk s ASP 225 Cb -0.16 -1.80 0.55 0.00 -1.09 0.00 0.00 42.92 40.41 3hwk s ASP 225 CO 0.56 -2.02 1.89 -0.29 0.70 0.00 0.00 175.17 176.01 3hwk h ILE 226 N -1.13 1.20 -0.44 2.11 2.10 -1.97 -2.03 117.51 117.34 3hwk h ILE 226 Ca -0.48 -0.66 -0.13 0.00 1.08 0.00 0.00 64.86 64.68 3hwk h ILE 226 Cb 1.29 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 3hwk h ILE 226 CO 0.61 0.25 -0.22 1.88 -1.08 0.00 0.00 178.15 179.60 3hwk h TYR 227 N 0.69 1.07 -0.83 2.19 0.05 -1.93 -0.02 116.97 118.19 3hwk h TYR 227 Ca 0.16 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3hwk h TYR 227 Cb 0.21 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.66 3hwk h TYR 227 CO 0.01 1.07 0.54 0.77 -1.05 0.00 0.00 178.16 179.50 3hwk h SER 228 N 0.76 0.97 -0.33 3.88 0.02 -1.84 0.20 113.55 117.22 3hwk h SER 228 Ca 0.10 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3hwk h SER 228 Cb 0.79 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3hwk h SER 228 CO 0.07 0.72 0.00 0.00 -1.14 0.00 0.00 176.83 176.47 3hwk h ALA 229 N 1.30 0.44 -0.41 3.77 0.00 -1.09 -1.89 119.26 121.37 3hwk h ALA 229 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hwk h ALA 229 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hwk h ALA 229 CO -0.06 0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.76 3hwk h VAL 230 N 0.38 1.23 -0.95 0.00 2.07 -0.71 -1.01 116.25 117.26 3hwk h VAL 230 Ca 0.09 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 66.91 3hwk h VAL 230 Cb 0.44 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 3hwk h VAL 230 CO 0.02 0.28 0.61 0.74 0.02 0.00 0.00 177.57 179.24 3hwk h THR 231 N 0.53 0.99 -0.28 2.57 2.02 -0.51 0.19 112.91 118.43 3hwk h THR 231 Ca 0.13 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 3hwk h THR 231 Cb 0.32 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3hwk h THR 231 CO 0.00 0.18 -0.37 1.23 0.37 0.00 0.00 175.52 176.94 3hwk h GLY 232 N 1.00 0.69 1.32 2.16 0.00 -0.99 -2.32 103.07 104.93 3hwk h GLY 232 Ca 0.44 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 3hwk h GLY 232 CO -0.20 0.61 -0.61 0.00 0.00 0.00 0.00 176.54 176.34 3hwk h ALA 233 N 1.06 0.53 -0.12 3.60 0.00 0.21 -2.14 119.26 122.42 3hwk h ALA 233 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.44 3hwk h ALA 233 Cb 0.88 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hwk h ALA 233 CO 0.08 0.69 -0.02 0.82 0.00 0.00 0.00 179.25 180.82 3hwk h ILE 234 N 0.52 0.90 -0.70 0.00 2.04 -0.64 -0.17 117.51 119.46 3hwk h ILE 234 Ca -0.00 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.97 3hwk h ILE 234 Cb 1.20 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 3hwk h ILE 234 CO 0.12 0.00 0.26 1.23 0.00 0.00 0.00 178.15 179.76 3hwk h GLY 235 N 0.01 1.02 0.94 5.37 0.00 -1.24 -2.10 103.07 107.07 3hwk h GLY 235 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3hwk h GLY 235 CO -0.11 -0.08 0.12 0.00 0.00 0.00 0.00 176.54 176.47 3hwk h ALA 236 N 1.50 0.53 -0.21 3.60 0.00 -0.96 -3.18 119.26 120.54 3hwk h ALA 236 Ca 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hwk h ALA 236 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hwk h ALA 236 CO -0.38 0.18 -0.02 1.25 0.00 0.00 0.00 179.25 180.28 3hwk h LEU 237 N 0.51 0.29 -1.50 0.00 5.85 -0.39 -3.02 115.31 117.05 3hwk h LEU 237 Ca 0.13 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.96 3hwk h LEU 237 Cb 0.28 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3hwk h LEU 237 CO -0.00 0.37 0.53 0.50 -0.34 0.00 0.00 178.44 179.50 3hwk h LYS 238 N 0.31 0.47 -6.99 1.25 3.64 -1.40 0.11 116.57 113.96 3hwk h LYS 238 Ca 0.07 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.88 3hwk h LYS 238 Cb 0.25 -0.11 0.11 0.00 -0.41 0.00 0.00 32.23 32.07 3hwk h LYS 238 CO 0.01 0.31 0.64 0.20 -2.27 0.00 0.00 179.45 178.34 3hwk s GLY 239 N -3.77 2.91 0.59 5.01 0.00 -1.14 -3.41 107.32 107.50 3hwk s GLY 239 Ca -0.08 1.34 0.29 0.00 0.00 0.00 0.00 44.72 46.26 3hwk s GLY 239 CO 0.77 1.91 2.09 3.21 0.00 0.00 0.00 173.10 181.09 3hwk h ARG 240 N 2.24 0.00 -0.03 2.90 3.08 -1.86 0.78 114.38 121.49 3hwk h ARG 240 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3hwk h ARG 240 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3hwk h ARG 240 CO 0.61 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.79 3hwk n LEU 241 N -3.81 0.74 0.00 3.04 4.77 -1.26 -3.48 117.00 117.00 3hwk n LEU 241 Ca 0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3hwk n LEU 241 Cb 0.34 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3hwk n LEU 241 CO 0.28 0.14 0.00 1.57 -1.33 0.00 0.00 177.39 178.04 3hwk n HIS 242 N -0.37 0.00 0.36 -1.77 -0.00 -0.06 -4.96 115.22 108.41 3hwk n HIS 242 Ca 0.19 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.51 3hwk n HIS 242 Cb 0.21 0.00 0.55 0.00 -0.12 0.00 0.00 29.99 30.63 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 2.00 1.57 0.00 -0.71 -2.51 103.07 103.43 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 0.16 -0.98 0.28 4.60 0.00 0.07 -3.49 105.19 105.83 3hwk n GLY 244 Ca 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 2.28 0.95 -0.38 4.61 0.00 -1.48 -2.68 119.26 122.57 3hwk h ALA 245 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3hwk h ALA 245 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hwk h ALA 245 CO 0.00 0.62 0.22 -2.95 0.00 0.00 0.00 179.25 177.14 3hwk h ASN 246 N 0.77 0.47 -0.24 0.00 7.08 -1.75 0.29 115.58 122.19 3hwk h ASN 246 Ca 0.13 -0.07 0.01 0.00 -3.08 0.00 0.00 56.30 53.29 3hwk h ASN 246 Cb 0.59 -0.12 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 3hwk h ASN 246 CO 0.04 0.41 0.13 -0.08 -2.08 0.00 0.00 177.43 175.84 3hwk h GLU 247 N 0.49 0.26 0.00 4.14 4.81 -1.78 -2.79 114.58 119.71 3hwk h GLU 247 Ca 0.13 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3hwk h GLU 247 Cb 0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3hwk h GLU 247 CO -0.02 0.17 -0.44 0.00 -0.73 0.00 0.00 179.01 177.99 3hwk h ALA 248 N 1.12 1.17 -0.54 2.92 0.00 -1.07 -1.49 119.26 121.36 3hwk h ALA 248 Ca 0.10 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3hwk h ALA 248 Cb 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3hwk h ALA 248 CO -0.06 0.55 0.29 0.28 0.00 0.00 0.00 179.25 180.31 3hwk h VAL 249 N 0.00 0.97 -0.17 0.00 2.07 -0.20 -1.73 116.25 117.19 3hwk h VAL 249 Ca -0.00 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 3hwk h VAL 249 Cb 0.83 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3hwk h VAL 249 CO 0.06 0.10 -0.70 -0.03 0.02 0.00 0.00 177.57 177.02 3hwk h MET 250 N 0.55 0.70 -0.98 1.57 -1.53 -1.08 -1.30 114.93 112.87 3hwk h MET 250 Ca 0.24 -0.53 0.09 0.00 -3.44 0.00 0.00 59.70 56.06 3hwk h MET 250 Cb 0.13 0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 31.21 3hwk h MET 250 CO -0.16 1.15 0.62 0.45 0.14 0.00 0.00 176.91 179.11 3hwk h HIS 251 N 0.50 1.13 -0.11 1.39 3.86 -1.22 -1.58 115.15 119.12 3hwk h HIS 251 Ca -0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hwk h HIS 251 Cb 1.30 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.40 3hwk h HIS 251 CO 0.07 0.52 0.02 -0.44 0.86 0.00 0.00 177.93 178.96 3hwk h ASP 252 N 1.05 0.17 -0.91 2.45 3.32 -1.04 -1.86 116.42 119.61 3hwk h ASP 252 Ca 0.45 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3hwk h ASP 252 Cb 0.32 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3hwk h ASP 252 CO -0.22 0.37 0.59 0.24 -1.72 0.00 0.00 179.24 178.50 3hwk h MET 253 N -0.04 1.14 -0.97 3.56 2.86 -0.92 -0.52 114.93 120.04 3hwk h MET 253 Ca 0.03 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3hwk h MET 253 Cb 0.27 -0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 3hwk h MET 253 CO 0.00 0.75 0.61 0.82 1.06 0.00 0.00 176.91 180.15 3hwk h ILE 254 N 1.17 1.26 -0.16 -1.22 2.04 -1.23 -0.07 117.51 119.30 3hwk h ILE 254 Ca 0.35 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3hwk h ILE 254 Cb -0.05 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.88 3hwk h ILE 254 CO -0.10 0.26 -0.35 -0.08 0.00 0.00 0.00 178.15 177.88 3hwk h GLU 255 N 1.33 0.34 -0.15 2.37 4.81 -0.44 -2.91 114.58 119.93 3hwk h GLU 255 Ca 0.35 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3hwk h GLU 255 Cb -0.10 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3hwk h GLU 255 CO -0.07 0.65 -0.05 0.82 -0.73 0.00 0.00 179.01 179.62 3hwk h ILE 256 N 0.29 1.30 0.00 2.32 2.04 -0.59 -3.47 117.51 119.41 3hwk h ILE 256 Ca 0.03 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3hwk h ILE 256 Cb 0.75 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3hwk h ILE 256 CO 0.06 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.13 3hwk n GLY 257 N -0.05 1.82 3.54 5.37 0.00 -0.09 -4.74 105.19 111.03 3hwk n GLY 257 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3hwk n GLY 257 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwk s ASP 258 N 0.00 -0.70 0.44 1.61 2.15 -1.26 -5.04 116.67 113.87 3hwk s ASP 258 Ca 0.00 1.29 0.10 0.00 0.43 0.00 0.00 52.55 54.37 3hwk s ASP 258 Cb 0.00 1.27 0.98 0.00 -0.30 0.00 0.00 42.92 44.87 3hwk s ASP 258 CO 0.00 -0.22 2.07 1.55 -0.17 0.00 0.00 175.17 178.40 3hwk h PRO 259 N 5.62 0.35 -0.47 4.34 0.13 -1.87 -2.07 132.00 138.03 3hwk h PRO 259 Ca -0.29 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 64.95 3hwk h PRO 259 Cb 1.18 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3hwk h PRO 259 CO 0.13 0.25 0.35 0.00 -0.23 0.00 0.00 178.00 178.50 3hwk h ALA 260 N 1.81 2.41 -0.00 -0.56 0.00 -1.97 -1.12 119.26 119.83 3hwk h ALA 260 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 260 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hwk h ALA 260 CO -0.02 -0.59 -0.25 0.09 0.00 0.00 0.00 179.25 178.48 3hwk n ASN 261 N -4.32 0.62 -0.04 0.00 3.02 -0.78 -4.57 115.26 109.19 3hwk n ASN 261 Ca 0.08 -0.49 -0.13 0.00 -0.03 0.00 0.00 54.58 54.02 3hwk n ASN 261 Cb 0.56 0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.69 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 3.42 0.14 -0.36 5.41 0.00 -1.28 -1.49 119.26 125.10 3hwk h ALA 262 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hwk h ALA 262 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hwk h ALA 262 CO 0.00 -0.10 0.24 0.07 0.00 0.00 0.00 179.25 179.46 3hwk h ARG 263 N -0.15 0.48 -0.50 0.00 0.11 -1.80 -1.00 114.38 111.51 3hwk h ARG 263 Ca 0.02 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.10 3hwk h ARG 263 Cb 0.49 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.42 3hwk h ARG 263 CO 0.01 0.32 0.29 1.05 0.10 0.00 0.00 179.97 181.75 3hwk h GLU 264 N 0.49 0.56 -0.78 0.08 4.11 -1.84 -0.31 114.58 116.88 3hwk h GLU 264 Ca 0.13 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.55 3hwk h GLU 264 Cb -0.05 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 3hwk h GLU 264 CO -0.03 0.37 0.51 2.35 0.07 0.00 0.00 179.01 182.28 3hwk h TRP 265 N 0.58 0.96 -0.00 2.06 7.01 -0.87 -2.37 115.95 123.32 3hwk h TRP 265 Ca 0.21 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 3hwk h TRP 265 Cb 0.04 -0.32 0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3hwk h TRP 265 CO -0.07 0.58 -0.25 1.25 -2.79 0.00 0.00 178.44 177.15 3hwk h LEU 266 N 1.01 0.23 -1.10 0.65 5.85 -0.90 -2.73 115.31 118.32 3hwk h LEU 266 Ca 0.30 -0.77 0.16 0.00 0.84 0.00 0.00 57.88 58.41 3hwk h LEU 266 Cb -0.06 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 3hwk h LEU 266 CO -0.08 0.97 0.61 0.03 -0.34 0.00 0.00 178.44 179.63 3hwk h ARG 267 N -0.49 0.77 -0.41 1.25 -0.00 -1.07 -1.62 114.38 112.81 3hwk h ARG 267 Ca -0.03 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.98 59.27 3hwk h ARG 267 Cb 1.01 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.79 3hwk h ARG 267 CO 0.05 0.51 -0.26 0.00 0.00 0.00 0.00 179.97 180.27 3hwk h ALA 268 N 1.60 0.75 -0.11 0.04 0.00 -1.44 -2.88 119.26 117.23 3hwk h ALA 268 Ca 0.53 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3hwk h ALA 268 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hwk h ALA 268 CO -0.30 0.66 -0.48 0.87 0.00 0.00 0.00 179.25 180.00 3hwk h LYS 269 N 0.74 0.27 -0.17 0.00 1.57 -1.04 -3.12 116.57 114.83 3hwk h LYS 269 Ca 0.09 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3hwk h LYS 269 Cb 0.82 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3hwk h LYS 269 CO 0.07 0.69 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.39 3hwk h LEU 270 N 0.22 0.45 -2.05 2.94 3.38 -1.30 -2.78 115.31 116.16 3hwk h LEU 270 Ca 0.01 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.55 3hwk h LEU 270 Cb 0.93 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3hwk h LEU 270 CO 0.08 0.85 0.17 0.00 0.09 0.00 0.00 178.44 179.62 3hwk h ALA 271 N 0.61 2.13 -0.01 1.53 0.00 -1.56 0.14 119.26 122.10 3hwk h ALA 271 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hwk h ALA 271 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hwk h ALA 271 CO 0.05 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.56 3hwk n ARG 272 N -4.35 1.14 -3.50 0.00 1.74 -1.13 -4.93 116.66 105.64 3hwk n ARG 272 Ca 0.02 -0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 56.69 3hwk n ARG 272 Cb 0.31 -1.47 0.09 0.00 -1.02 0.00 0.00 32.46 30.36 3hwk n ARG 272 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3hwk n LYS 273 N -0.72 -7.21 -4.12 5.56 -0.00 0.49 -5.03 118.16 107.13 3hwk n LYS 273 Ca 0.22 0.84 -0.27 0.00 -0.00 0.00 0.00 58.31 59.09 3hwk n LYS 273 Cb 0.16 -5.87 -0.07 0.00 -0.00 0.00 0.00 35.03 29.26 3hwk n LYS 273 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3hwk s GLU 274 N -5.78 2.70 0.30 -1.58 2.02 -1.06 -5.06 118.70 110.24 3hwk s GLU 274 Ca 0.26 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 3hwk s GLU 274 Cb -0.11 -2.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 3hwk s GLU 274 CO 0.73 0.49 1.18 0.15 0.02 0.00 0.00 175.26 177.83 3hwk s LYS 275 N -2.92 4.52 -0.38 1.61 1.02 -1.26 -4.73 119.74 117.61 3hwk s LYS 275 Ca 0.29 1.97 -0.14 0.00 0.02 0.00 0.00 55.97 58.11 3hwk s LYS 275 Cb -0.10 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 3hwk s LYS 275 CO 0.21 0.05 0.29 0.42 -0.92 0.00 0.00 175.35 175.40 3hwk s ILE 276 N -1.16 5.25 0.32 2.17 -1.09 -1.26 -5.05 121.20 120.38 3hwk s ILE 276 Ca 0.46 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 58.18 3hwk s ILE 276 Cb -0.35 -3.84 -0.12 0.00 -1.58 0.00 0.00 42.46 36.57 3hwk s ILE 276 CO 0.46 -0.18 1.45 0.23 -1.23 0.00 0.00 174.94 175.67 3hwk n MET 277 N 5.18 2.41 -0.75 2.79 2.81 -1.26 -2.46 117.12 125.85 3hwk n MET 277 Ca -0.11 0.85 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 3hwk n MET 277 Cb 0.48 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.45 3hwk n MET 277 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hwk n GLY 278 N 1.35 0.61 2.93 3.03 0.00 -1.26 -4.81 105.19 107.04 3hwk n GLY 278 Ca 0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 0.62 0.00 1.61 0.40 -1.03 -1.34 117.98 116.24 3hwk s PHE 279 Ca 0.00 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 3hwk s PHE 279 Cb 0.00 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 43.04 3hwk s PHE 279 CO 0.00 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.24 3hwk n GLY 280 N 3.46 2.55 3.50 4.36 0.00 -1.22 -4.79 105.19 113.05 3hwk n GLY 280 Ca -0.19 -1.75 -0.17 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 -2.05 -0.63 0.22 1.61 2.46 -1.26 -4.71 115.29 110.93 3hwk s HIS 281 Ca 0.00 0.98 0.03 0.00 0.47 0.00 0.00 55.06 56.54 3hwk s HIS 281 Cb 0.00 0.44 0.18 0.00 -0.13 0.00 0.00 32.58 33.07 3hwk s HIS 281 CO 0.00 -0.65 1.52 -0.09 -2.47 0.00 0.00 174.74 173.05 3hwk h ARG 282 N 2.82 0.26 0.00 2.88 9.65 -2.00 -3.41 114.38 124.57 3hwk h ARG 282 Ca -0.28 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3hwk h ARG 282 Cb 1.17 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3hwk h ARG 282 CO 0.39 0.83 -0.88 0.28 2.80 0.00 0.00 179.97 183.39 3hwk n VAL 283 N -3.84 1.32 -2.02 0.20 0.31 -1.26 -5.00 118.33 108.05 3hwk n VAL 283 Ca -0.03 0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 64.07 3hwk n VAL 283 Cb 0.66 -2.25 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.68 2.97 0.00 3.52 2.02 -1.26 -4.92 117.35 117.00 3hwk s TYR 284 Ca -0.25 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 3hwk s TYR 284 Cb 0.04 -3.80 0.00 0.00 -0.40 0.00 0.00 41.96 37.79 3hwk s TYR 284 CO 0.38 -2.45 0.00 0.54 -1.57 0.00 0.00 175.55 172.45 3hwk n ARG 285 N 1.57 3.21 -1.32 -0.62 5.12 -1.26 -4.52 116.66 118.85 3hwk n ARG 285 Ca 0.04 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.00 3hwk n ARG 285 Cb 0.41 -0.61 0.07 0.00 -1.16 0.00 0.00 32.46 31.17 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 -0.85 0.09 0.00 -1.55 8.25 -1.26 -4.93 115.22 114.96 3hwk n HIS 286 Ca 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.61 3hwk n HIS 286 Cb 0.00 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 0.01 3.48 3.66 -1.41 0.00 -1.26 -5.03 105.19 104.63 3hwk n GLY 287 Ca 0.10 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 3hwk n GLY 287 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwk s ASP 288 N 0.00 6.80 0.00 1.61 -1.08 -1.26 -4.90 116.67 117.84 3hwk s ASP 288 Ca 0.00 1.96 0.08 0.00 -0.52 0.00 0.00 52.55 54.08 3hwk s ASP 288 Cb 0.00 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.33 3hwk s ASP 288 CO 0.00 -0.85 1.13 -1.54 0.52 0.00 0.00 175.17 174.44 3hwk n SER 289 N 6.88 0.00 0.03 -0.34 3.41 -1.26 -1.70 113.62 120.64 3hwk n SER 289 Ca 0.16 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 3hwk n SER 289 Cb 0.44 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 3hwk n SER 289 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hwk n ARG 290 N -1.29 0.54 -0.04 4.33 1.74 -1.26 -4.62 116.66 116.05 3hwk n ARG 290 Ca 0.04 -0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.95 3hwk n ARG 290 Cb 0.07 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 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 1.24 -0.89 1.55 2.07 -1.69 -3.03 116.25 115.50 3hwk h VAL 291 Ca 0.00 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3hwk h VAL 291 Cb 0.92 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 3hwk h VAL 291 CO 0.00 0.23 0.58 -0.65 0.02 0.00 0.00 177.57 177.75 3hwk h PRO 292 N -0.01 1.11 -0.44 1.57 0.11 -1.82 0.29 132.00 132.81 3hwk h PRO 292 Ca 0.04 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.13 3hwk h PRO 292 Cb 0.35 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 3hwk h PRO 292 CO 0.01 0.74 0.20 1.15 -0.21 0.00 0.00 178.00 179.88 3hwk h THR 293 N 1.15 0.93 0.00 -1.15 2.02 -1.86 -1.25 112.91 112.75 3hwk h THR 293 Ca 0.34 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 3hwk h THR 293 Cb -0.05 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3hwk h THR 293 CO -0.10 0.07 -0.67 -0.03 0.37 0.00 0.00 175.52 175.16 3hwk h MET 294 N 0.40 0.00 -0.22 6.66 -1.53 -1.19 -2.18 114.93 116.87 3hwk h MET 294 Ca 0.20 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.45 3hwk h MET 294 Cb 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 3hwk h MET 294 CO -0.16 0.67 0.11 -0.22 0.14 0.00 0.00 176.91 177.45 3hwk h LYS 295 N 0.00 0.32 -0.52 0.39 3.64 -0.18 -0.35 116.57 119.87 3hwk h LYS 295 Ca -0.01 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3hwk h LYS 295 Cb 1.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3hwk h LYS 295 CO 0.09 0.32 0.29 0.00 -2.27 0.00 0.00 179.45 177.88 3hwk h ARG 296 N 0.23 0.55 -0.70 1.90 3.08 -1.10 -1.06 114.38 117.28 3hwk h ARG 296 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3hwk h ARG 296 Cb 0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hwk h ARG 296 CO -0.01 0.36 0.39 0.00 -1.07 0.00 0.00 179.97 179.64 3hwk h ALA 297 N 1.26 0.90 -0.72 0.04 0.00 -1.19 -0.28 119.26 119.26 3hwk h ALA 297 Ca 0.22 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3hwk h ALA 297 Cb 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3hwk h ALA 297 CO -0.13 0.41 0.43 1.25 0.00 0.00 0.00 179.25 181.22 3hwk h LEU 298 N 0.97 0.68 -0.36 0.00 5.85 -0.79 -0.82 115.31 120.85 3hwk h LEU 298 Ca 0.25 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 3hwk h LEU 298 Cb 0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3hwk h LEU 298 CO -0.04 0.46 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.03 3hwk h GLU 299 N 0.82 0.74 -0.34 1.25 5.08 -0.39 0.18 114.58 121.91 3hwk h GLU 299 Ca 0.30 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3hwk h GLU 299 Cb 0.10 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3hwk h GLU 299 CO -0.14 0.92 0.05 0.00 -1.00 0.00 0.00 179.01 178.84 3hwk h ARG 300 N 0.53 0.16 -0.26 2.33 3.08 -0.93 -2.09 114.38 117.19 3hwk h ARG 300 Ca 0.08 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3hwk h ARG 300 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3hwk h ARG 300 CO 0.05 0.10 -0.23 0.28 -1.07 0.00 0.00 179.97 179.10 3hwk h VAL 301 N 0.16 1.26 0.00 2.04 2.07 -0.98 -2.81 116.25 117.99 3hwk h VAL 301 Ca 0.16 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3hwk h VAL 301 Cb 0.19 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3hwk h VAL 301 CO -0.23 0.39 -0.16 1.23 0.02 0.00 0.00 177.57 178.83 3hwk h GLY 302 N 1.00 0.00 0.97 2.17 0.00 -0.36 -0.77 103.07 106.08 3hwk h GLY 302 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 3hwk h GLY 302 CO 0.05 0.00 -1.46 -1.30 0.00 0.00 0.00 176.54 173.83 3hwk n THR 303 N -3.57 1.23 0.21 4.70 -2.24 -0.81 -1.14 114.28 112.66 3hwk n THR 303 Ca -0.01 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.18 3hwk n THR 303 Cb 0.30 -0.76 0.09 0.00 -2.10 0.00 0.00 70.33 67.85 3hwk n THR 303 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hwk h VAL 304 N 0.00 0.00 0.00 2.28 2.07 -1.40 -3.38 116.25 115.82 3hwk h VAL 304 Ca -0.18 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3hwk h VAL 304 Cb 1.63 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 3hwk h VAL 304 CO 0.05 0.00 -0.35 0.54 0.02 0.00 0.00 177.57 177.83 3hwk n ARG 305 N -2.73 0.90 -3.15 1.57 1.74 -0.30 -5.03 116.66 109.65 3hwk n ARG 305 Ca 0.02 -2.31 -0.14 0.00 -0.77 0.00 0.00 57.85 54.65 3hwk n ARG 305 Cb 0.53 -1.11 0.07 0.00 -1.02 0.00 0.00 32.46 30.92 3hwk n ARG 305 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hwk n ASP 306 N -0.80 -5.42 -0.51 0.55 2.03 -1.11 -4.94 116.55 106.35 3hwk n ASP 306 Ca 0.12 -0.63 0.09 0.00 0.52 0.00 0.00 54.79 54.88 3hwk n ASP 306 Cb 0.73 -4.81 0.20 0.00 -0.72 0.00 0.00 41.12 36.52 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 -1.23 4.52 0.36 0.27 0.00 -0.29 -4.77 105.19 104.06 3hwk n GLY 307 Ca -0.10 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 0.89 0.87 -0.51 1.61 5.75 -1.93 -1.04 115.11 120.74 3hwk h GLN 308 Ca 0.01 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 3hwk h GLN 308 Cb 1.23 -0.20 -0.11 0.00 1.07 0.00 0.00 27.48 29.48 3hwk h GLN 308 CO 0.12 0.57 -0.27 -0.09 -2.65 0.00 0.00 178.83 176.51 3hwk h ARG 309 N 0.89 -0.15 -0.17 1.69 2.43 -1.97 -0.94 114.38 116.17 3hwk h ARG 309 Ca 0.50 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.50 3hwk h ARG 309 Cb 0.60 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3hwk h ARG 309 CO -0.27 -0.10 -0.61 -1.49 -1.51 0.00 0.00 179.97 175.99 3hwk h TRP 310 N -0.15 0.76 -0.84 2.20 4.06 -1.59 -1.74 115.95 118.65 3hwk h TRP 310 Ca 0.23 -0.29 0.10 0.00 2.06 0.00 0.00 58.89 60.99 3hwk h TRP 310 Cb 0.51 -0.13 -0.08 0.00 -1.00 0.00 0.00 29.16 28.46 3hwk h TRP 310 CO -0.55 1.05 0.48 -0.07 -3.56 0.00 0.00 178.44 175.79 3hwk h LEU 311 N 0.44 0.68 -0.10 -4.49 3.38 -0.83 0.10 115.31 114.50 3hwk h LEU 311 Ca -0.01 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hwk h LEU 311 Cb 1.18 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hwk h LEU 311 CO 0.12 0.38 -0.11 0.44 0.09 0.00 0.00 178.44 179.35 3hwk h ASP 312 N 0.79 0.27 -0.70 -0.43 3.32 -0.91 -0.42 116.42 118.34 3hwk h ASP 312 Ca 0.41 -0.50 0.08 0.00 0.02 0.00 0.00 57.03 57.04 3hwk h ASP 312 Cb 0.40 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 3hwk h ASP 312 CO -0.26 0.72 0.37 0.40 -1.72 0.00 0.00 179.24 178.74 3hwk h ILE 313 N -0.18 0.90 -0.09 0.35 2.04 -1.09 -0.58 117.51 118.86 3hwk h ILE 313 Ca 0.01 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.69 3hwk h ILE 313 Cb 0.65 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3hwk h ILE 313 CO 0.03 0.12 -0.16 0.22 0.00 0.00 0.00 178.15 178.36 3hwk h TYR 314 N 0.65 -0.41 0.23 1.37 5.03 -0.61 -1.26 116.97 121.97 3hwk h TYR 314 Ca 0.33 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.65 3hwk h TYR 314 Cb 0.29 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 3hwk h TYR 314 CO -0.09 -0.23 -0.15 0.37 -1.32 0.00 0.00 178.16 176.73 3hwk h GLN 315 N -0.22 -0.36 -0.40 1.82 -0.00 -0.38 -1.60 115.11 113.98 3hwk h GLN 315 Ca 0.08 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.78 3hwk h GLN 315 Cb 0.33 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.87 3hwk h GLN 315 CO -0.22 -0.24 0.22 0.28 0.00 0.00 0.00 178.83 178.87 3hwk h VAL 316 N -0.38 1.01 -0.35 2.39 2.07 -1.12 -1.10 116.25 118.78 3hwk h VAL 316 Ca -0.02 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 3hwk h VAL 316 Cb 0.32 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3hwk h VAL 316 CO 0.01 0.08 -0.15 0.25 0.02 0.00 0.00 177.57 177.78 3hwk h LEU 317 N 0.44 0.61 -0.10 2.57 5.85 -1.11 -0.36 115.31 123.22 3hwk h LEU 317 Ca 0.16 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3hwk h LEU 317 Cb 0.04 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hwk h LEU 317 CO -0.09 0.78 -0.36 0.00 -0.34 0.00 0.00 178.44 178.43 3hwk h ALA 318 N 1.27 0.17 -0.65 1.25 0.00 -1.08 -1.99 119.26 118.24 3hwk h ALA 318 Ca 0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3hwk h ALA 318 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hwk h ALA 318 CO 0.04 0.25 0.24 0.00 0.00 0.00 0.00 179.25 179.78 3hwk h ALA 319 N 0.47 0.85 -0.32 0.00 0.00 -1.09 -1.89 119.26 117.29 3hwk h ALA 319 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3hwk h ALA 319 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hwk h ALA 319 CO 0.08 0.49 0.03 1.05 0.00 0.00 0.00 179.25 180.90 3hwk h GLU 320 N 0.93 0.54 -0.99 0.00 4.11 -1.13 -2.91 114.58 115.13 3hwk h GLU 320 Ca 0.22 -0.16 0.01 0.00 0.07 0.00 0.00 59.36 59.50 3hwk h GLU 320 Cb 0.24 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3hwk h GLU 320 CO -0.01 0.65 0.65 0.52 0.07 0.00 0.00 179.01 180.89 3hwk h MET 321 N 0.35 1.29 -0.31 1.06 2.86 -1.23 -0.85 114.93 118.11 3hwk h MET 321 Ca 0.09 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 3hwk h MET 321 Cb 0.39 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3hwk h MET 321 CO 0.01 0.85 -0.18 0.00 1.06 0.00 0.00 176.91 178.66 3hwk h ALA 322 N 1.39 0.43 -0.28 6.32 0.00 -1.31 0.97 119.26 126.78 3hwk h ALA 322 Ca 0.37 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3hwk h ALA 322 Cb -0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hwk h ALA 322 CO -0.08 0.36 -0.40 0.66 0.00 0.00 0.00 179.25 179.79 3hwk h SER 323 N 0.42 0.84 1.19 0.00 4.64 -1.43 0.17 113.55 119.37 3hwk h SER 323 Ca 0.06 -0.51 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 3hwk h SER 323 Cb 0.71 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3hwk h SER 323 CO 0.05 1.18 -0.69 0.00 -0.87 0.00 0.00 176.83 176.50 3hwk h ALA 324 N 0.68 0.60 0.00 5.18 0.00 -1.15 -3.41 119.26 121.16 3hwk h ALA 324 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hwk h ALA 324 Cb 0.99 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hwk h ALA 324 CO 0.09 0.86 -0.19 0.25 0.00 0.00 0.00 179.25 180.26 3hwk n THR 325 N -3.34 0.00 -0.21 0.00 -2.24 0.31 -5.02 114.28 103.78 3hwk n THR 325 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3hwk n THR 325 Cb 0.78 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.53 2.27 3.71 3.38 0.00 0.60 -4.99 105.19 110.69 3hwk n GLY 326 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hwk n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwk s ILE 327 N -2.97 4.79 0.39 -0.61 1.01 -1.25 -4.86 121.20 117.69 3hwk s ILE 327 Ca 0.00 2.00 -0.01 0.00 0.00 0.00 0.00 60.65 62.64 3hwk s ILE 327 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3hwk s ILE 327 CO 0.00 0.15 0.62 -0.76 0.00 0.00 0.00 174.94 174.95 3hwk s LEU 328 N 1.05 3.90 0.41 2.97 1.43 -1.26 -4.07 118.68 123.11 3hwk s LEU 328 Ca 0.53 0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 53.97 3hwk s LEU 328 Cb -0.22 -3.49 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 3hwk s LEU 328 CO 0.28 -0.38 1.27 -2.84 0.23 0.00 0.00 176.35 174.91 3hwk s PRO 329 N -4.43 3.94 0.63 1.29 0.02 -1.26 -3.40 135.00 131.78 3hwk s PRO 329 Ca 0.42 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.55 3hwk s PRO 329 Cb -0.10 -2.70 0.09 0.00 0.02 0.00 0.00 34.50 31.81 3hwk s PRO 329 CO 0.39 -0.49 0.88 0.54 -0.33 0.00 0.00 177.00 177.98 3hwk s ASN 330 N -0.86 4.79 0.45 2.53 2.20 -0.45 -4.21 114.94 119.39 3hwk s ASN 330 Ca 0.58 -0.46 0.15 0.00 -0.94 0.00 0.00 52.86 52.18 3hwk s ASN 330 Cb -0.36 -0.09 1.07 0.00 -2.00 0.00 0.00 41.25 39.87 3hwk s ASN 330 CO 0.46 -1.54 2.00 0.25 -2.94 0.00 0.00 177.10 175.34 3hwk h LEU 331 N -0.16 0.31 -0.17 3.54 5.85 -1.93 -1.60 115.31 121.14 3hwk h LEU 331 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hwk h LEU 331 Cb 1.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3hwk h LEU 331 CO 0.42 0.19 0.00 0.47 -0.34 0.00 0.00 178.44 179.18 3hwk n ASP 332 N -4.47 0.13 -0.07 1.25 8.00 -1.26 -2.38 116.55 117.75 3hwk n ASP 332 Ca 0.08 0.54 -0.14 0.00 0.71 0.00 0.00 54.79 55.98 3hwk n ASP 332 Cb 0.34 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 3hwk n ASP 332 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3hwk h PHE 333 N 0.00 0.00 0.00 1.24 3.57 -1.50 -2.96 116.94 117.28 3hwk h PHE 333 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3hwk h PHE 333 Cb 0.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3hwk h PHE 333 CO 0.00 0.97 -0.18 -1.00 -2.23 0.00 0.00 178.31 175.87 3hwk h PRO 334 N -1.00 0.00 -0.79 6.41 0.13 -1.73 -3.31 132.00 131.71 3hwk h PRO 334 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 3hwk h PRO 334 Cb 0.95 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 3hwk h PRO 334 CO -0.03 0.18 0.30 1.15 -0.23 0.00 0.00 178.00 179.36 3hwk h THR 335 N 0.00 1.26 0.17 1.56 2.02 -1.56 -2.88 112.91 113.47 3hwk h THR 335 Ca -0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3hwk h THR 335 Cb 0.90 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3hwk h THR 335 CO 0.02 0.34 -0.39 1.23 0.37 0.00 0.00 175.52 177.10 3hwk h GLY 336 N 1.16 -1.17 2.00 2.16 0.00 -1.60 -0.07 103.07 105.54 3hwk h GLY 336 Ca 0.26 0.59 -0.04 0.00 0.00 0.00 0.00 47.33 48.14 3hwk h GLY 336 CO -0.02 -0.33 -0.19 -0.56 0.00 0.00 0.00 176.54 175.44 3hwk h PRO 337 N -0.61 0.00 0.11 4.80 0.13 -1.76 -1.87 132.00 132.81 3hwk h PRO 337 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3hwk h PRO 337 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3hwk h PRO 337 CO -0.17 0.19 -0.05 0.00 -0.23 0.00 0.00 178.00 177.74 3hwk h ALA 338 N 1.81 -0.15 -0.74 -0.56 0.00 -1.23 -1.33 119.26 117.06 3hwk h ALA 338 Ca -0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hwk h ALA 338 Cb 0.50 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3hwk h ALA 338 CO 0.02 -0.45 0.45 1.88 0.00 0.00 0.00 179.25 181.15 3hwk h TYR 339 N -0.42 0.83 -0.43 0.00 -1.99 -0.77 -0.63 116.97 113.57 3hwk h TYR 339 Ca -0.02 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.78 3hwk h TYR 339 Cb 0.34 -0.27 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 3hwk h TYR 339 CO 0.01 0.44 0.20 -0.92 -0.00 0.00 0.00 178.16 177.90 3hwk h TYR 340 N 0.85 0.36 -0.08 4.88 3.20 -1.29 -2.62 116.97 122.27 3hwk h TYR 340 Ca 0.31 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 3hwk h TYR 340 Cb 0.10 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3hwk h TYR 340 CO -0.05 0.17 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.18 3hwk h LEU 341 N 0.40 0.16 -1.90 2.82 3.38 -0.66 -1.82 115.31 117.69 3hwk h LEU 341 Ca 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hwk h LEU 341 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hwk h LEU 341 CO -0.15 0.55 0.00 0.24 0.09 0.00 0.00 178.44 179.17 3hwk h MET 342 N 0.14 0.00 0.00 1.13 2.86 -0.78 -3.47 114.93 114.81 3hwk h MET 342 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hwk h MET 342 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3hwk h MET 342 CO 0.06 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.44 3hwk n GLY 343 N -0.48 0.93 3.77 8.32 0.00 -0.68 -5.08 105.19 111.96 3hwk n GLY 343 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 3.26 0.19 1.61 0.08 -1.07 -5.00 117.98 115.06 3hwk s PHE 344 Ca 0.00 1.61 -0.31 0.00 0.12 0.00 0.00 56.93 58.35 3hwk s PHE 344 Cb 0.00 -3.31 -0.10 0.00 -0.57 0.00 0.00 43.02 39.04 3hwk s PHE 344 CO 0.00 -0.96 1.55 -0.51 -0.10 0.00 0.00 175.22 175.20 3hwk s ASP 345 N -1.14 6.58 0.28 1.36 1.11 -1.26 -4.55 116.67 119.04 3hwk s ASP 345 Ca 0.53 2.66 0.01 0.00 0.18 0.00 0.00 52.55 55.93 3hwk s ASP 345 Cb -0.29 -2.60 0.63 0.00 1.07 0.00 0.00 42.92 41.73 3hwk s ASP 345 CO 0.37 -0.81 1.71 0.40 1.18 0.00 0.00 175.17 178.02 3hwk h ILE 346 N 3.86 0.54 0.00 0.77 2.04 -1.96 0.52 117.51 123.28 3hwk h ILE 346 Ca -0.44 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hwk h ILE 346 Cb 1.21 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3hwk h ILE 346 CO 0.88 0.08 0.00 0.00 0.00 0.00 0.00 178.15 179.11 3hwk h ALA 347 N 1.66 1.00 -0.05 1.87 0.00 -1.95 -1.79 119.26 120.00 3hwk h ALA 347 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3hwk h ALA 347 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hwk h ALA 347 CO -0.49 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.19 3hwk n SER 348 N -2.37 1.45 -0.20 0.00 7.64 0.17 -4.45 113.62 115.86 3hwk n SER 348 Ca 0.01 -1.52 -0.07 0.00 1.01 0.00 0.00 58.87 58.30 3hwk n SER 348 Cb 0.18 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 2.18 0.79 -0.27 1.43 -1.00 -1.38 -2.42 116.94 116.28 3hwk h PHE 349 Ca 0.00 -0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.60 3hwk h PHE 349 Cb 0.47 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 3hwk h PHE 349 CO 0.02 0.59 -0.45 1.15 -1.61 0.00 0.00 178.31 178.01 3hwk h THR 350 N 0.77 1.29 -0.88 -1.55 2.02 -1.80 -2.39 112.91 110.37 3hwk h THR 350 Ca 0.20 -1.64 0.14 0.00 0.77 0.00 0.00 66.41 65.87 3hwk h THR 350 Cb 0.06 1.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 3hwk h THR 350 CO -0.03 0.53 0.57 -0.65 0.37 0.00 0.00 175.52 176.31 3hwk h PRO 351 N 0.53 0.69 -0.63 6.66 0.11 -1.81 0.13 132.00 137.67 3hwk h PRO 351 Ca 0.02 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3hwk h PRO 351 Cb 1.05 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3hwk h PRO 351 CO 0.10 0.45 0.03 0.82 -0.21 0.00 0.00 178.00 179.20 3hwk h ILE 352 N 0.71 1.27 -0.85 4.15 2.04 -1.25 -1.07 117.51 122.50 3hwk h ILE 352 Ca 0.44 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 65.26 3hwk h ILE 352 Cb 0.68 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3hwk h ILE 352 CO -0.20 0.42 0.50 0.15 0.00 0.00 0.00 178.15 179.02 3hwk h PHE 353 N 1.01 0.91 -0.61 1.37 3.04 -0.64 -2.36 116.94 119.66 3hwk h PHE 353 Ca 0.18 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.18 3hwk h PHE 353 Cb 0.53 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.72 3hwk h PHE 353 CO 0.04 0.40 0.39 0.28 -2.02 0.00 0.00 178.31 177.40 3hwk h VAL 354 N 0.86 1.12 -0.99 1.41 2.07 0.39 -1.07 116.25 120.04 3hwk h VAL 354 Ca 0.40 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.84 3hwk h VAL 354 Cb 0.32 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 3hwk h VAL 354 CO -0.23 0.14 0.61 0.24 0.02 0.00 0.00 177.57 178.36 3hwk h MET 355 N 0.79 0.68 0.01 1.57 2.86 -0.72 -1.49 114.93 118.63 3hwk h MET 355 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3hwk h MET 355 Cb -0.05 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.46 3hwk h MET 355 CO -0.07 0.45 -0.05 1.03 1.06 0.00 0.00 176.91 179.33 3hwk h SER 356 N 0.70 0.03 1.11 1.22 0.87 -1.33 -3.38 113.55 112.78 3hwk h SER 356 Ca 0.56 -0.98 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3hwk h SER 356 Cb 0.96 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3hwk h SER 356 CO -0.34 1.01 0.00 -0.09 -0.53 0.00 0.00 176.83 176.87 3hwk h ARG 357 N -0.94 0.00 -0.99 2.24 9.65 -0.93 -2.46 114.38 120.96 3hwk h ARG 357 Ca -0.01 0.00 0.29 0.00 -1.10 0.00 0.00 59.98 59.16 3hwk h ARG 357 Cb 1.02 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.56 3hwk h ARG 357 CO 0.01 0.00 0.71 0.97 2.80 0.00 0.00 179.97 184.46 3hwk h ILE 358 N 0.00 0.50 0.39 1.20 6.09 -1.45 0.15 117.51 124.40 3hwk h ILE 358 Ca 0.00 -0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 3hwk h ILE 358 Cb 0.55 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.35 3hwk h ILE 358 CO 0.00 0.00 -0.19 0.71 -3.07 0.00 0.00 178.15 175.60 3hwk h THR 359 N 0.00 0.42 -0.55 2.19 1.35 -1.66 -2.49 112.91 112.17 3hwk h THR 359 Ca 0.47 -0.63 0.08 0.00 -0.55 0.00 0.00 66.41 65.78 3hwk h THR 359 Cb 1.89 0.64 -0.07 0.00 -1.73 0.00 0.00 68.15 68.88 3hwk h THR 359 CO -0.01 0.08 0.20 1.23 -0.25 0.00 0.00 175.52 176.77 3hwk h GLY 360 N -0.97 0.75 0.67 5.82 0.00 -0.36 -1.69 103.07 107.29 3hwk h GLY 360 Ca -0.05 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.23 3hwk h GLY 360 CO 0.09 -0.01 0.38 1.49 0.00 0.00 0.00 176.54 178.49 3hwk h TRP 361 N 0.37 0.70 0.00 5.60 6.55 -0.78 -1.33 115.95 127.07 3hwk h TRP 361 Ca 0.27 0.03 -0.19 0.00 0.95 0.00 0.00 58.89 59.95 3hwk h TRP 361 Cb 0.32 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.38 3hwk h TRP 361 CO -0.17 0.33 -0.92 1.79 -1.05 0.00 0.00 178.44 178.42 3hwk h THR 362 N 0.70 1.66 -0.19 1.49 1.35 -1.07 0.56 112.91 117.42 3hwk h THR 362 Ca 0.31 -3.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.00 3hwk h THR 362 Cb 0.19 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3hwk h THR 362 CO -0.18 0.90 0.06 0.00 -0.25 0.00 0.00 175.52 176.05 3hwk h ALA 363 N 1.08 0.25 -0.67 6.62 0.00 -1.10 -1.30 119.26 124.14 3hwk h ALA 363 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hwk h ALA 363 Cb 1.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3hwk h ALA 363 CO 0.12 -0.13 0.44 0.45 0.00 0.00 0.00 179.25 180.13 3hwk h HIS 364 N 0.13 0.84 -0.48 0.00 -0.00 -1.05 -1.02 115.15 113.58 3hwk h HIS 364 Ca 0.06 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 3hwk h HIS 364 Cb 0.22 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3hwk h HIS 364 CO -0.00 0.53 0.22 0.82 -0.00 0.00 0.00 177.93 179.50 3hwk h ILE 365 N 0.91 1.20 -0.13 2.45 2.04 -0.78 0.18 117.51 123.38 3hwk h ILE 365 Ca 0.24 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3hwk h ILE 365 Cb -0.10 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3hwk h ILE 365 CO -0.05 0.22 -0.18 0.24 0.00 0.00 0.00 178.15 178.39 3hwk h MET 366 N 0.63 0.21 -0.13 2.37 2.86 -1.07 -0.28 114.93 119.53 3hwk h MET 366 Ca 0.16 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 3hwk h MET 366 Cb 0.15 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3hwk h MET 366 CO -0.02 0.39 -0.44 1.49 1.06 0.00 0.00 176.91 179.40 3hwk h GLU 367 N 0.20 0.52 -0.63 1.72 4.81 -0.36 -2.80 114.58 118.05 3hwk h GLU 367 Ca 0.04 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 3hwk h GLU 367 Cb 0.43 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3hwk h GLU 367 CO 0.03 1.01 0.32 0.37 -0.73 0.00 0.00 179.01 180.01 3hwk h GLN 368 N 0.13 0.90 -0.19 1.92 5.75 -0.41 -2.37 115.11 120.83 3hwk h GLN 368 Ca -0.02 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.25 3hwk h GLN 368 Cb 1.07 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 3hwk h GLN 368 CO 0.09 0.70 -0.35 0.00 -2.65 0.00 0.00 178.83 176.63 3hwk h ALA 369 N 1.14 1.05 -0.00 3.38 0.00 -1.06 -2.55 119.26 121.23 3hwk h ALA 369 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 369 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwk h ALA 369 CO -0.03 0.59 -0.27 0.25 0.00 0.00 0.00 179.25 179.79 3hwk n THR 370 N -4.06 0.00 -3.19 0.00 -2.24 -1.06 -4.19 114.28 99.54 3hwk n THR 370 Ca -0.01 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 3hwk n THR 370 Cb 0.46 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3hwk n THR 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwk n ALA 371 N -0.99 2.15 -2.49 6.98 0.00 -0.90 -5.09 120.51 120.16 3hwk n ALA 371 Ca 0.11 -3.44 -0.34 0.00 0.00 0.00 0.00 53.44 49.77 3hwk n ALA 371 Cb 0.33 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 3hwk n ALA 371 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hwk s ASN 372 N -2.21 6.68 -0.12 0.00 2.47 -0.98 -4.85 114.94 115.93 3hwk s ASN 372 Ca 0.39 0.88 -0.14 0.00 0.42 0.00 0.00 52.86 54.41 3hwk s ASN 372 Cb 0.31 -2.21 0.04 0.00 -1.45 0.00 0.00 41.25 37.94 3hwk s ASN 372 CO -0.09 0.09 0.37 0.00 -3.72 0.00 0.00 177.10 173.76 3hwk s ALA 373 N -1.52 -0.92 0.20 1.71 0.00 -1.26 -5.11 121.76 114.86 3hwk s ALA 373 Ca 0.38 0.95 -0.33 0.00 0.00 0.00 0.00 51.96 52.97 3hwk s ALA 373 Cb -0.14 -0.50 -0.14 0.00 0.00 0.00 0.00 23.12 22.34 3hwk s ALA 373 CO 0.20 -0.19 1.43 -0.11 0.00 0.00 0.00 175.76 177.08 3hwk n LEU 374 N 2.59 2.85 -4.42 0.00 7.94 -1.25 -4.79 117.00 119.94 3hwk n LEU 374 Ca -0.14 1.12 -0.44 0.00 -1.11 0.00 0.00 56.01 55.44 3hwk n LEU 374 Cb 0.57 -1.39 -0.06 0.00 0.53 0.00 0.00 43.42 43.07 3hwk n LEU 374 CO 0.15 -0.54 0.35 -0.63 -1.11 0.00 0.00 177.39 175.61 3hwk s ILE 375 N 0.25 4.87 -0.34 1.96 1.01 -1.26 -4.96 121.20 122.72 3hwk s ILE 375 Ca 0.73 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3hwk s ILE 375 Cb -0.70 -4.36 0.14 0.00 0.01 0.00 0.00 42.46 37.55 3hwk s ILE 375 CO 0.46 -0.92 0.31 -0.60 0.00 0.00 0.00 174.94 174.19 3hwk s ARG 376 N 2.60 0.52 0.42 2.79 3.00 -1.26 -5.05 118.95 121.98 3hwk s ARG 376 Ca 0.13 -0.78 -0.04 0.00 -1.00 0.00 0.00 55.73 54.04 3hwk s ARG 376 Cb -0.21 -0.86 0.09 0.00 0.00 0.00 0.00 34.95 33.97 3hwk s ARG 376 CO 0.09 -1.15 0.58 -0.35 0.00 0.00 0.00 175.30 174.47 3hwk n PRO 377 N 4.50 -0.23 -4.45 5.12 -0.04 -1.26 -5.12 135.00 133.53 3hwk n PRO 377 Ca 0.07 -1.15 -0.23 0.00 -0.04 0.00 0.00 63.50 62.15 3hwk n PRO 377 Cb 0.43 -0.51 -0.10 0.00 -0.04 0.00 0.00 33.50 33.28 3hwk n PRO 377 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hwk s LEU 378 N 0.00 2.60 0.09 1.53 1.43 -1.26 -5.15 118.68 117.92 3hwk s LEU 378 Ca 0.35 -1.06 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3hwk s LEU 378 Cb -0.01 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 3hwk s LEU 378 CO 0.24 -0.06 -0.16 -0.94 0.23 0.00 0.00 176.35 175.65 3hwk s SER 379 N -3.48 2.04 0.23 2.29 1.04 -1.26 -5.08 113.70 109.48 3hwk s SER 379 Ca 0.29 -0.68 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 3hwk s SER 379 Cb -0.03 -0.08 -0.08 0.00 0.10 0.00 0.00 66.02 65.93 3hwk s SER 379 CO 0.13 -0.05 0.65 0.00 0.98 0.00 0.00 173.24 174.96 3hwk s ALA 380 N -1.43 3.46 -0.07 5.32 0.00 -1.26 -5.09 121.76 122.69 3hwk s ALA 380 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.88 3hwk s ALA 380 Cb -0.09 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 3hwk s ALA 380 CO 0.03 0.39 0.23 -0.47 0.00 0.00 0.00 175.76 175.95 3hwk s TYR 381 N -1.66 3.63 0.00 0.00 5.04 -1.26 -4.98 117.35 118.11 3hwk s TYR 381 Ca 0.45 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 3hwk s TYR 381 Cb -0.14 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.13 3hwk s TYR 381 CO 0.20 0.69 0.89 0.00 -1.34 0.00 0.00 175.55 175.99 3hwk n GLY 383 N 0.00 0.64 3.77 0.00 0.00 -1.26 -5.03 105.19 103.30 3hwk n GLY 383 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3hwk n GLY 383 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hwk s HIS 384 N 1.01 2.91 0.74 1.61 3.76 -1.26 -5.00 115.29 119.06 3hwk s HIS 384 Ca 0.00 1.28 -0.14 0.00 -0.15 0.00 0.00 55.06 56.05 3hwk s HIS 384 Cb 0.00 -3.80 0.04 0.00 1.11 0.00 0.00 32.58 29.93 3hwk s HIS 384 CO 0.00 -2.32 1.16 -1.83 -0.85 0.00 0.00 174.74 170.90 3hwk s GLU 385 N -1.65 2.21 0.20 1.40 1.03 -1.26 -4.91 118.70 115.72 3hwk s GLU 385 Ca 0.52 1.57 -0.31 0.00 0.03 0.00 0.00 54.97 56.77 3hwk s GLU 385 Cb -0.42 -1.86 -0.16 0.00 -0.80 0.00 0.00 34.13 30.89 3hwk s GLU 385 CO 0.54 -1.74 0.99 0.94 -1.33 0.00 0.00 175.26 174.66 3hwk n GLN 386 N -2.90 0.93 -4.07 -4.83 7.27 -1.26 -4.97 117.38 107.55 3hwk n GLN 386 Ca 0.12 0.33 -0.12 0.00 0.07 0.00 0.00 57.00 57.40 3hwk n GLN 386 Cb 0.51 -1.70 -0.06 0.00 2.41 0.00 0.00 30.24 31.41 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 -0.81 1.62 0.01 3.69 1.70 -1.26 -5.17 118.95 118.73 3hwk s ARG 387 Ca 0.68 -1.52 0.06 0.00 -0.47 0.00 0.00 55.73 54.48 3hwk s ARG 387 Cb -0.85 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 3hwk s ARG 387 CO 0.55 -0.65 -0.18 0.08 -1.08 0.00 0.00 175.30 174.02 3hwk s VAL 388 N -3.67 2.76 0.39 4.99 1.01 -1.26 -5.10 120.40 119.51 3hwk s VAL 388 Ca 0.29 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3hwk s VAL 388 Cb 0.01 -2.12 -0.11 0.00 0.00 0.00 0.00 36.38 34.16 3hwk s VAL 388 CO 0.14 0.43 1.47 0.18 0.00 0.00 0.00 175.10 177.32 3hwk n LEU 389 N 1.84 4.78 -4.60 3.92 4.77 -1.26 -5.01 117.00 121.45 3hwk n LEU 389 Ca -0.16 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.74 3hwk n LEU 389 Cb 0.52 -1.61 0.20 0.00 -2.33 0.00 0.00 43.42 40.19 3hwk n LEU 389 CO 0.26 0.09 0.60 -2.84 -1.33 0.00 0.00 177.39 174.17 3hwk s PRO 390 N -2.15 0.17 0.00 3.23 0.02 -1.26 -5.37 135.00 129.65 3hwk s PRO 390 Ca 0.54 0.98 0.22 0.00 0.02 0.00 0.00 61.00 62.77 3hwk s PRO 390 Cb -0.48 -1.67 1.31 0.00 0.02 0.00 0.00 34.50 33.69 3hwk s PRO 390 CO 0.63 -3.03 1.69 0.41 -0.33 0.00 0.00 177.00 176.37