#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 5.32 -1.19 5.18 1.01 -1.26 -5.00 121.20 125.26 3hwk s ILE 28 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 3hwk s ILE 28 Cb 0.00 -3.53 0.21 0.00 0.01 0.00 0.00 42.46 39.16 3hwk s ILE 28 CO 0.00 0.28 2.06 0.29 0.00 0.00 0.00 174.94 177.56 3hwk n LYS 29 N 4.80 4.82 -1.64 2.79 4.76 -1.26 -5.02 118.16 127.42 3hwk n LYS 29 Ca -0.14 -4.01 -0.49 0.00 -2.87 0.00 0.00 58.31 50.79 3hwk n LYS 29 Cb 0.52 -2.59 -0.05 0.00 -1.84 0.00 0.00 35.03 31.07 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 1.22 1.69 -0.97 1.97 4.76 -1.26 -0.51 118.16 125.06 3hwk n LYS 30 Ca 0.51 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.57 3hwk n LYS 30 Cb 0.27 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 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 3.19 0.17 2.37 0.72 0.00 -1.26 -3.20 105.19 107.17 3hwk n GLY 31 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3hwk n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hwk n LEU 32 N 0.00 -1.16 -4.65 0.99 4.77 0.34 -4.89 117.00 112.41 3hwk n LEU 32 Ca 0.00 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 3hwk n LEU 32 Cb 0.32 -2.16 -0.03 0.00 -2.33 0.00 0.00 43.42 39.22 3hwk n LEU 32 CO 0.00 -0.22 1.52 0.00 -1.33 0.00 0.00 177.39 177.36 3hwk s ALA 33 N -2.56 3.45 0.00 -1.18 0.00 -1.19 -1.70 121.76 118.58 3hwk s ALA 33 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3hwk s ALA 33 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3hwk s ALA 33 CO 0.00 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.46 3hwk n GLY 34 N 4.56 1.26 3.64 0.00 0.00 -1.26 -4.97 105.19 108.42 3hwk n GLY 34 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.78 5.02 -0.23 1.61 1.01 -0.69 -5.02 120.40 119.32 3hwk s VAL 35 Ca 0.00 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 3hwk s VAL 35 Cb 0.00 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3hwk s VAL 35 CO 0.00 0.08 1.00 -0.69 0.00 0.00 0.00 175.10 175.49 3hwk s VAL 36 N 2.18 4.71 -0.04 2.92 1.01 -1.26 -4.91 120.40 125.01 3hwk s VAL 36 Ca 0.26 1.94 0.10 0.00 0.00 0.00 0.00 61.98 64.28 3hwk s VAL 36 Cb -0.16 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 3hwk s VAL 36 CO 0.09 -0.15 0.22 0.52 0.00 0.00 0.00 175.10 175.78 3hwk n VAL 37 N 5.28 0.00 -3.84 2.92 0.31 -1.26 -5.05 118.33 116.68 3hwk n VAL 37 Ca 0.11 -0.22 -0.03 0.00 -0.01 0.00 0.00 64.34 64.19 3hwk n VAL 37 Cb 0.46 0.33 0.01 0.00 -0.91 0.00 0.00 33.84 33.73 3hwk n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hwk s ASP 38 N -3.01 -0.04 0.06 4.52 -1.08 -1.26 -5.16 116.67 110.71 3hwk s ASP 38 Ca -0.03 -0.59 0.03 0.00 -0.52 0.00 0.00 52.55 51.45 3hwk s ASP 38 Cb 0.06 0.48 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 3hwk s ASP 38 CO 0.39 -0.93 0.03 0.28 0.52 0.00 0.00 175.17 175.46 3hwk s THR 39 N -2.42 4.23 0.02 1.71 -1.32 -1.26 -5.13 115.64 111.47 3hwk s THR 39 Ca 0.20 -0.82 -0.03 0.00 -1.21 0.00 0.00 61.69 59.82 3hwk s THR 39 Cb -0.02 -2.99 -0.01 0.00 -1.51 0.00 0.00 72.50 67.96 3hwk s THR 39 CO 0.04 0.18 0.04 0.28 -2.21 0.00 0.00 174.62 172.96 3hwk s THR 40 N -1.28 0.12 -1.24 5.08 -1.32 -1.26 -5.04 115.64 110.70 3hwk s THR 40 Ca 0.25 -1.01 0.11 0.00 -1.21 0.00 0.00 61.69 59.83 3hwk s THR 40 Cb -0.12 -0.62 0.14 0.00 -1.51 0.00 0.00 72.50 70.40 3hwk s THR 40 CO 0.18 -0.56 0.96 0.00 -2.21 0.00 0.00 174.62 172.99 3hwk n ALA 41 N 1.16 2.40 -0.04 11.08 0.00 -1.26 -4.79 120.51 129.06 3hwk n ALA 41 Ca -0.21 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 3hwk n ALA 41 Cb 0.57 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.50 3hwk n ALA 41 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hwk h ILE 42 N 2.10 1.36 -3.50 0.00 2.04 -1.96 -3.41 117.51 114.14 3hwk h ILE 42 Ca 0.00 -2.35 -0.06 0.00 1.00 0.00 0.00 64.86 63.45 3hwk h ILE 42 Cb 0.53 2.92 -0.12 0.00 -0.74 0.00 0.00 36.82 39.41 3hwk h ILE 42 CO 0.00 0.58 -0.12 -0.94 0.00 0.00 0.00 178.15 177.67 3hwk s SER 43 N -6.69 -0.15 -0.17 1.72 1.04 -1.26 -1.01 113.70 107.17 3hwk s SER 43 Ca -0.21 -0.48 -0.21 0.00 0.48 0.00 0.00 55.95 55.54 3hwk s SER 43 Cb 0.02 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.66 3hwk s SER 43 CO 0.71 -0.89 0.56 -0.75 0.98 0.00 0.00 173.24 173.85 3hwk s LYS 44 N -3.85 0.72 -0.45 4.02 2.20 -1.03 -4.89 119.74 116.46 3hwk s LYS 44 Ca 0.07 0.63 -0.23 0.00 -0.36 0.00 0.00 55.97 56.07 3hwk s LYS 44 Cb 0.02 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.71 3hwk s LYS 44 CO -0.08 -0.13 0.81 0.08 -0.36 0.00 0.00 175.35 175.67 3hwk s VAL 45 N -0.06 4.62 -0.42 4.02 1.01 -1.26 -0.75 120.40 127.55 3hwk s VAL 45 Ca -0.03 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 3hwk s VAL 45 Cb -0.04 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3hwk s VAL 45 CO 0.02 -0.73 1.69 -0.69 0.00 0.00 0.00 175.10 175.39 3hwk s VAL 46 N 3.37 3.57 0.43 2.92 1.01 0.11 -4.87 120.40 126.93 3hwk s VAL 46 Ca 0.31 0.54 0.12 0.00 0.00 0.00 0.00 61.98 62.95 3hwk s VAL 46 Cb -0.12 -3.89 0.31 0.00 0.00 0.00 0.00 36.38 32.68 3hwk s VAL 46 CO 0.23 -0.65 2.00 1.55 0.00 0.00 0.00 175.10 178.23 3hwk h PRO 47 N 12.66 0.44 0.84 2.72 0.13 -1.95 0.37 132.00 147.21 3hwk h PRO 47 Ca -0.30 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 3hwk h PRO 47 Cb 1.15 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.19 3hwk h PRO 47 CO 1.09 0.29 -0.40 1.96 -0.23 0.00 0.00 178.00 180.71 3hwk h GLN 48 N 0.45 -1.08 0.00 0.86 7.50 -1.97 -3.29 115.11 117.58 3hwk h GLN 48 Ca 0.25 0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.47 3hwk h GLN 48 Cb 0.39 0.25 0.00 0.00 0.05 0.00 0.00 27.48 28.17 3hwk h GLN 48 CO -0.07 -0.72 -0.38 0.00 -1.50 0.00 0.00 178.83 176.16 3hwk h THR 49 N -1.16 0.00 -3.97 -0.54 1.03 -1.96 -3.48 112.91 102.84 3hwk h THR 49 Ca -0.11 -0.74 -0.33 0.00 -0.01 0.00 0.00 66.41 65.21 3hwk h THR 49 Cb 0.86 1.53 0.06 0.00 -1.07 0.00 0.00 68.15 69.53 3hwk h THR 49 CO 0.19 0.00 -0.51 -3.20 -0.01 0.00 0.00 175.52 171.99 3hwk n ASN 50 N -2.55 -5.39 -4.65 0.00 5.15 0.11 -5.03 115.26 102.90 3hwk n ASN 50 Ca 0.03 -0.27 -0.38 0.00 -0.60 0.00 0.00 54.58 53.36 3hwk n ASN 50 Cb 0.49 -4.19 -0.08 0.00 -0.53 0.00 0.00 39.78 35.47 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 -2.85 6.39 0.07 1.20 0.01 -1.17 -4.54 113.70 112.81 3hwk s SER 51 Ca 0.29 0.46 -0.31 0.00 1.31 0.00 0.00 55.95 57.71 3hwk s SER 51 Cb -0.13 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 3hwk s SER 51 CO 0.36 -0.11 1.20 -0.22 0.41 0.00 0.00 173.24 174.88 3hwk s LEU 52 N 1.55 4.37 0.07 2.44 2.96 -1.26 0.04 118.68 128.85 3hwk s LEU 52 Ca 0.18 2.02 0.09 0.00 -0.22 0.00 0.00 54.13 56.20 3hwk s LEU 52 Cb -0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3hwk s LEU 52 CO 0.08 -0.47 -0.23 0.42 -1.32 0.00 0.00 176.35 174.84 3hwk s THR 53 N 1.02 2.46 -0.24 3.68 -4.23 0.07 -0.49 115.64 117.92 3hwk s THR 53 Ca 0.59 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 3hwk s THR 53 Cb -0.30 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.52 3hwk s THR 53 CO 0.29 0.26 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.27 3hwk s TYR 54 N -0.94 3.03 -1.69 3.99 2.02 0.40 -2.47 117.35 121.68 3hwk s TYR 54 Ca 0.14 -1.39 -0.14 0.00 -0.37 0.00 0.00 57.07 55.31 3hwk s TYR 54 Cb -0.10 -2.07 0.13 0.00 -0.40 0.00 0.00 41.96 39.52 3hwk s TYR 54 CO 0.05 -0.69 0.55 0.54 -1.57 0.00 0.00 175.55 174.43 3hwk n ARG 55 N 4.71 -2.13 0.00 -0.62 5.12 -0.18 -1.77 116.66 121.79 3hwk n ARG 55 Ca -0.17 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3hwk n ARG 55 Cb 0.48 -4.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.13 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 -1.60 3.24 3.75 -0.13 0.00 -1.26 -4.97 105.19 104.23 3hwk n GLY 56 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.99 3.56 0.21 1.61 2.02 -0.73 -4.93 117.35 116.10 3hwk s TYR 57 Ca 0.00 0.86 -0.31 0.00 -0.37 0.00 0.00 57.07 57.25 3hwk s TYR 57 Cb 0.00 -2.44 -0.11 0.00 -0.40 0.00 0.00 41.96 39.01 3hwk s TYR 57 CO 0.00 0.30 1.58 -2.14 -1.57 0.00 0.00 175.55 173.73 3hwk s PRO 58 N 0.16 4.19 0.43 -1.71 0.02 -1.26 -0.46 135.00 136.37 3hwk s PRO 58 Ca 0.23 2.44 0.10 0.00 0.02 0.00 0.00 61.00 63.80 3hwk s PRO 58 Cb -0.15 -3.10 0.93 0.00 0.02 0.00 0.00 34.50 32.19 3hwk s PRO 58 CO 0.10 -0.61 2.02 -0.24 -0.33 0.00 0.00 177.00 177.94 3hwk h VAL 59 N 3.77 1.11 -0.26 3.83 3.04 -1.14 -1.93 116.25 124.67 3hwk h VAL 59 Ca -0.44 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 64.80 3hwk h VAL 59 Cb 1.21 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 3hwk h VAL 59 CO 0.88 0.14 -0.10 0.06 -1.01 0.00 0.00 177.57 177.53 3hwk h GLN 60 N 0.28 0.43 0.03 4.17 -0.00 -1.89 0.26 115.11 118.38 3hwk h GLN 60 Ca 0.07 -0.11 -0.14 0.00 -0.00 0.00 0.00 58.65 58.47 3hwk h GLN 60 Cb 0.13 -0.05 0.01 0.00 -0.00 0.00 0.00 27.48 27.58 3hwk h GLN 60 CO -0.00 0.54 -0.58 -0.44 -0.00 0.00 0.00 178.83 178.35 3hwk h ASP 61 N 0.40 0.46 -0.53 0.06 3.32 -1.76 -2.18 116.42 116.19 3hwk h ASP 61 Ca 0.08 -0.81 0.09 0.00 0.02 0.00 0.00 57.03 56.41 3hwk h ASP 61 Cb 0.43 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 3hwk h ASP 61 CO 0.02 1.21 0.13 -0.07 -1.72 0.00 0.00 179.24 178.82 3hwk h LEU 62 N -0.24 0.06 -1.21 1.55 3.38 -1.15 -0.34 115.31 117.36 3hwk h LEU 62 Ca -0.08 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hwk h LEU 62 Cb 1.32 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3hwk h LEU 62 CO 0.11 0.05 -0.11 0.00 0.09 0.00 0.00 178.44 178.59 3hwk h ALA 63 N 1.40 1.35 0.03 1.53 0.00 -0.51 0.39 119.26 123.45 3hwk h ALA 63 Ca 0.27 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3hwk h ALA 63 Cb 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hwk h ALA 63 CO -0.33 0.44 -0.98 0.00 0.00 0.00 0.00 179.25 178.38 3hwk h ALA 64 N 1.50 0.36 0.00 0.00 0.00 -0.72 -3.41 119.26 117.00 3hwk h ALA 64 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hwk h ALA 64 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hwk h ALA 64 CO 0.02 0.90 -0.45 0.54 0.00 0.00 0.00 179.25 180.26 3hwk n ARG 65 N -3.66 4.09 -4.32 0.00 1.74 -0.20 -5.06 116.66 109.26 3hwk n ARG 65 Ca -0.06 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 3hwk n ARG 65 Cb 0.87 -0.76 -0.08 0.00 -1.02 0.00 0.00 32.46 31.47 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 -3.69 5.66 0.33 0.00 1.04 -1.26 -4.81 113.70 110.97 3hwk s SER 67 Ca 0.33 0.55 0.02 0.00 0.48 0.00 0.00 55.95 57.34 3hwk s SER 67 Cb -0.03 -1.62 0.58 0.00 0.10 0.00 0.00 66.02 65.06 3hwk s SER 67 CO 0.19 -0.95 1.94 0.15 0.98 0.00 0.00 173.24 175.55 3hwk h PHE 68 N 0.02 0.73 -0.41 5.02 3.57 -1.96 -2.25 116.94 121.66 3hwk h PHE 68 Ca -0.45 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.05 3hwk h PHE 68 Cb 1.26 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3hwk h PHE 68 CO 0.46 0.55 0.21 0.93 -2.23 0.00 0.00 178.31 178.23 3hwk h GLU 69 N 0.74 0.40 -0.87 1.11 3.07 -1.99 0.15 114.58 117.19 3hwk h GLU 69 Ca 0.18 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3hwk h GLU 69 Cb 0.10 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 3hwk h GLU 69 CO -0.02 0.27 0.46 1.96 -1.40 0.00 0.00 179.01 180.27 3hwk h GLN 70 N 0.42 1.22 -0.36 2.33 4.20 -1.84 -1.51 115.11 119.57 3hwk h GLN 70 Ca 0.17 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 3hwk h GLN 70 Cb 0.08 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3hwk h GLN 70 CO -0.12 0.91 -0.34 0.28 -0.67 0.00 0.00 178.83 178.89 3hwk h VAL 71 N 1.22 1.28 -0.08 -0.54 2.07 -1.11 0.51 116.25 119.60 3hwk h VAL 71 Ca 0.30 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3hwk h VAL 71 Cb 0.06 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3hwk h VAL 71 CO -0.05 0.50 0.04 0.00 0.02 0.00 0.00 177.57 178.09 3hwk h ALA 72 N 0.76 0.10 0.04 1.67 0.00 -0.79 0.18 119.26 121.22 3hwk h ALA 72 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 72 Cb 0.92 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hwk h ALA 72 CO 0.08 -0.36 -0.23 0.35 0.00 0.00 0.00 179.25 179.10 3hwk h PHE 73 N 0.04 -0.60 -0.49 0.00 3.57 -1.21 -1.67 116.94 116.58 3hwk h PHE 73 Ca 0.03 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3hwk h PHE 73 Cb 0.07 0.26 -0.10 0.00 2.79 0.00 0.00 35.95 38.98 3hwk h PHE 73 CO -0.05 -0.32 -0.15 1.25 -2.23 0.00 0.00 178.31 176.82 3hwk h LEU 74 N -0.38 -0.53 -0.88 0.59 5.85 -0.48 0.73 115.31 120.21 3hwk h LEU 74 Ca 0.05 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3hwk h LEU 74 Cb 0.44 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3hwk h LEU 74 CO -0.18 -0.18 0.58 -0.07 -0.34 0.00 0.00 178.44 178.25 3hwk h LEU 75 N -0.03 1.00 -0.05 2.25 3.38 -0.36 0.23 115.31 121.73 3hwk h LEU 75 Ca 0.24 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 3hwk h LEU 75 Cb 0.39 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hwk h LEU 75 CO -0.52 0.72 -0.73 -0.50 0.09 0.00 0.00 178.44 177.50 3hwk h TRP 76 N 1.19 0.83 0.00 1.13 6.55 -0.36 -3.37 115.95 121.91 3hwk h TRP 76 Ca 0.32 -0.42 -0.19 0.00 0.95 0.00 0.00 58.89 59.56 3hwk h TRP 76 Cb -0.13 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.03 3hwk h TRP 76 CO -0.01 1.23 -2.15 0.54 -1.05 0.00 0.00 178.44 177.00 3hwk n ARG 77 N -4.08 0.67 -0.51 0.49 5.12 0.16 -5.00 116.66 113.51 3hwk n ARG 77 Ca -0.10 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 3hwk n ARG 77 Cb 0.73 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 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 1.50 0.76 3.11 -0.13 0.00 0.79 -5.05 105.19 106.18 3hwk n GLY 78 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.49 0.67 0.56 1.61 0.41 -1.25 -4.97 118.70 115.23 3hwk s GLU 79 Ca 0.00 -1.05 -0.21 0.00 -0.41 0.00 0.00 54.97 53.30 3hwk s GLU 79 Cb 0.00 -0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.11 3hwk s GLU 79 CO 0.00 0.00 1.32 -0.51 -0.49 0.00 0.00 175.26 175.59 3hwk s LEU 80 N -2.35 3.80 0.49 1.80 1.43 -1.26 -3.86 118.68 118.73 3hwk s LEU 80 Ca 0.01 2.68 -0.20 0.00 -1.03 0.00 0.00 54.13 55.60 3hwk s LEU 80 Cb -0.02 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.76 3hwk s LEU 80 CO -0.03 -1.61 1.01 -2.16 0.23 0.00 0.00 176.35 173.80 3hwk s PRO 81 N -3.00 3.86 0.99 1.29 0.04 -1.26 -5.00 135.00 131.92 3hwk s PRO 81 Ca 0.73 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 3hwk s PRO 81 Cb -0.38 -2.11 0.18 0.00 0.04 0.00 0.00 34.50 32.23 3hwk s PRO 81 CO 0.44 -0.36 1.15 0.95 0.04 0.00 0.00 177.00 179.22 3hwk s THR 82 N -2.13 1.92 0.19 1.26 -4.23 -1.26 -4.80 115.64 106.59 3hwk s THR 82 Ca 0.65 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.04 3hwk s THR 82 Cb -0.14 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.09 3hwk s THR 82 CO 0.21 0.00 1.76 -0.78 -0.54 0.00 0.00 174.62 175.27 3hwk h ASP 83 N -1.79 0.27 -0.34 3.99 3.58 -1.99 -0.48 116.42 119.66 3hwk h ASP 83 Ca -0.49 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 56.84 3hwk h ASP 83 Cb 1.31 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 3hwk h ASP 83 CO 0.52 0.18 -0.44 0.00 -2.88 0.00 0.00 179.24 176.62 3hwk h ALA 84 N 1.32 0.55 -0.53 -0.78 0.00 -2.00 -2.26 119.26 115.56 3hwk h ALA 84 Ca 0.24 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hwk h ALA 84 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hwk h ALA 84 CO -0.22 0.68 0.32 0.93 0.00 0.00 0.00 179.25 180.96 3hwk h GLU 85 N 0.73 0.73 -0.64 0.00 5.08 -1.85 -2.21 114.58 116.41 3hwk h GLU 85 Ca 0.04 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3hwk h GLU 85 Cb 1.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3hwk h GLU 85 CO 0.10 0.53 0.16 1.25 -1.00 0.00 0.00 179.01 180.05 3hwk h LEU 86 N 0.72 0.97 -0.75 1.33 5.85 -1.03 -0.77 115.31 121.62 3hwk h LEU 86 Ca 0.19 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hwk h LEU 86 Cb -0.01 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3hwk h LEU 86 CO -0.04 0.95 0.49 0.00 -0.34 0.00 0.00 178.44 179.50 3hwk h ALA 87 N 1.06 0.97 -0.09 1.25 0.00 -1.23 0.36 119.26 121.58 3hwk h ALA 87 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hwk h ALA 87 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hwk h ALA 87 CO 0.00 0.32 -0.04 1.25 0.00 0.00 0.00 179.25 180.78 3hwk h LEU 88 N 0.97 0.19 -0.27 0.00 5.85 -1.13 -0.23 115.31 120.69 3hwk h LEU 88 Ca 0.29 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3hwk h LEU 88 Cb -0.04 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3hwk h LEU 88 CO -0.09 0.55 -0.07 0.15 -0.34 0.00 0.00 178.44 178.65 3hwk h PHE 89 N -0.18 -0.15 -0.62 1.25 3.57 -1.01 -0.09 116.94 119.72 3hwk h PHE 89 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3hwk h PHE 89 Cb 0.48 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3hwk h PHE 89 CO 0.07 -0.12 0.22 1.03 -2.23 0.00 0.00 178.31 177.27 3hwk h SER 90 N -0.01 0.88 -0.47 0.41 0.87 -0.23 -0.01 113.55 115.00 3hwk h SER 90 Ca 0.13 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3hwk h SER 90 Cb 0.20 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3hwk h SER 90 CO -0.28 0.83 0.26 -0.61 -0.53 0.00 0.00 176.83 176.51 3hwk h GLN 91 N 0.88 0.50 -0.44 2.24 4.15 -0.74 -0.87 115.11 120.83 3hwk h GLN 91 Ca 0.20 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 3hwk h GLN 91 Cb 0.25 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3hwk h GLN 91 CO -0.01 0.33 -0.23 0.00 -1.93 0.00 0.00 178.83 176.99 3hwk h ARG 92 N 0.52 0.90 -0.14 1.69 3.08 -0.78 -2.35 114.38 117.29 3hwk h ARG 92 Ca 0.19 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.87 3hwk h ARG 92 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3hwk h ARG 92 CO -0.11 1.03 0.07 1.49 -1.07 0.00 0.00 179.97 181.38 3hwk h GLU 93 N 0.78 0.14 -0.09 0.04 4.22 -0.68 -2.54 114.58 116.45 3hwk h GLU 93 Ca 0.10 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.45 3hwk h GLU 93 Cb 0.78 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3hwk h GLU 93 CO 0.06 0.09 -0.33 0.00 -2.18 0.00 0.00 179.01 176.66 3hwk h ARG 94 N 0.15 0.17 0.00 1.92 3.08 -1.10 -1.66 114.38 116.93 3hwk h ARG 94 Ca 0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hwk h ARG 94 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hwk h ARG 94 CO -0.04 0.49 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 3hwk n ALA 95 N -2.48 2.55 0.17 0.04 0.00 -0.89 -3.60 120.51 116.31 3hwk n ALA 95 Ca -0.01 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3hwk n ALA 95 Cb 0.41 -1.49 0.10 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.16 2.39 0.17 0.00 7.64 -0.63 -4.66 113.62 117.37 3hwk n SER 96 Ca 0.18 -1.71 0.05 0.00 1.01 0.00 0.00 58.87 58.40 3hwk n SER 96 Cb 0.18 -0.11 0.17 0.00 -1.01 0.00 0.00 64.21 63.44 3hwk n SER 96 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3hwk h ARG 97 N 2.13 0.00 -6.71 1.43 3.08 -1.60 -3.35 114.38 109.36 3hwk h ARG 97 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3hwk h ARG 97 Cb 0.59 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.69 3hwk h ARG 97 CO 0.00 0.40 0.72 1.03 -1.07 0.00 0.00 179.97 181.05 3hwk s ARG 98 N -3.20 4.31 0.05 0.04 1.81 -1.26 -4.63 118.95 116.06 3hwk s ARG 98 Ca 0.03 2.21 -0.17 0.00 -1.72 0.00 0.00 55.73 56.08 3hwk s ARG 98 Cb 0.08 -3.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.38 3hwk s ARG 98 CO 0.71 -0.37 0.50 0.14 -0.68 0.00 0.00 175.30 175.60 3hwk s VAL 99 N 0.08 4.88 0.86 3.52 -7.23 -1.26 -5.00 120.40 116.25 3hwk s VAL 99 Ca 0.59 1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 61.64 3hwk s VAL 99 Cb -0.40 -3.80 0.11 0.00 0.56 0.00 0.00 36.38 32.85 3hwk s VAL 99 CO 0.41 0.53 1.20 -1.81 -0.31 0.00 0.00 175.10 175.12 3hwk s ASP 100 N -1.17 4.04 0.35 4.85 1.01 -1.26 -4.86 116.67 119.64 3hwk s ASP 100 Ca 0.28 0.72 0.05 0.00 0.71 0.00 0.00 52.55 54.31 3hwk s ASP 100 Cb -0.18 -1.14 0.71 0.00 1.01 0.00 0.00 42.92 43.31 3hwk s ASP 100 CO 0.17 -2.19 1.95 0.08 0.21 0.00 0.00 175.17 175.38 3hwk h ARG 101 N -1.26 0.78 -0.85 8.23 -0.00 -2.00 -1.77 114.38 117.51 3hwk h ARG 101 Ca -0.46 -0.05 0.01 0.00 -0.00 0.00 0.00 59.98 59.48 3hwk h ARG 101 Cb 1.31 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.97 31.06 3hwk h ARG 101 CO 0.60 0.51 0.57 0.66 -0.00 0.00 0.00 179.97 182.31 3hwk h SER 102 N 0.80 0.97 -0.18 0.08 4.64 -2.00 -2.35 113.55 115.52 3hwk h SER 102 Ca 0.33 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 3hwk h SER 102 Cb 0.25 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hwk h SER 102 CO -0.11 0.70 -0.28 -0.03 -0.87 0.00 0.00 176.83 176.24 3hwk h MET 103 N 1.14 0.51 -0.85 4.77 -1.53 -1.69 -1.71 114.93 115.56 3hwk h MET 103 Ca 0.32 -0.30 0.06 0.00 -3.44 0.00 0.00 59.70 56.33 3hwk h MET 103 Cb -0.10 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 30.92 3hwk h MET 103 CO -0.07 0.90 0.55 -0.07 0.14 0.00 0.00 176.91 178.36 3hwk h LEU 104 N 0.16 0.85 0.01 3.39 3.38 -1.38 -0.17 115.31 121.55 3hwk h LEU 104 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hwk h LEU 104 Cb 0.85 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3hwk h LEU 104 CO 0.06 0.55 -0.01 -1.28 0.09 0.00 0.00 178.44 177.86 3hwk h SER 105 N 0.96 -0.01 -0.64 -0.43 0.87 -1.32 -0.81 113.55 112.17 3hwk h SER 105 Ca 0.36 -0.39 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3hwk h SER 105 Cb 0.18 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3hwk h SER 105 CO -0.13 0.39 0.37 0.25 -0.53 0.00 0.00 176.83 177.18 3hwk h LEU 106 N -0.42 0.58 -1.06 2.23 5.85 -0.93 -1.23 115.31 120.33 3hwk h LEU 106 Ca -0.00 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3hwk h LEU 106 Cb 0.40 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hwk h LEU 106 CO 0.00 0.39 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.12 3hwk h LEU 107 N 0.71 0.29 -0.55 2.25 3.38 -0.92 0.57 115.31 121.04 3hwk h LEU 107 Ca 0.27 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3hwk h LEU 107 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hwk h LEU 107 CO -0.14 0.59 -0.52 0.00 0.09 0.00 0.00 178.44 178.46 3hwk h ALA 108 N 1.43 0.82 0.07 1.53 0.00 -0.61 -3.32 119.26 119.19 3hwk h ALA 108 Ca 0.04 -0.47 -0.34 0.00 0.00 0.00 0.00 54.91 54.13 3hwk h ALA 108 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hwk h ALA 108 CO 0.05 0.65 -1.94 1.17 0.00 0.00 0.00 179.25 179.18 3hwk n LYS 109 N -3.46 0.71 -1.64 0.00 3.00 -0.52 -4.93 118.16 111.33 3hwk n LYS 109 Ca 0.00 0.26 -0.39 0.00 -0.00 0.00 0.00 58.31 58.18 3hwk n LYS 109 Cb 0.64 -1.72 0.04 0.00 0.00 0.00 0.00 35.03 33.98 3hwk n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3hwk n LEU 110 N -3.29 3.82 -4.71 3.14 4.77 0.14 -4.90 117.00 115.97 3hwk n LEU 110 Ca -0.27 0.91 -0.37 0.00 -0.03 0.00 0.00 56.01 56.24 3hwk n LEU 110 Cb 1.05 -1.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3hwk n LEU 110 CO 0.43 -1.46 0.86 -2.65 -1.33 0.00 0.00 177.39 173.23 3hwk n PRO 111 N -0.70 1.08 -0.38 3.23 -0.02 -1.26 -4.88 135.00 132.08 3hwk n PRO 111 Ca 0.12 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 3hwk n PRO 111 Cb 0.45 -2.49 0.28 0.00 -0.02 0.00 0.00 33.50 31.71 3hwk n PRO 111 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hwk n ASP 112 N -1.78 3.50 0.00 2.55 3.85 -1.26 -4.04 116.55 119.37 3hwk n ASP 112 Ca 0.16 -2.13 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 3hwk n ASP 112 Cb 0.48 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 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 1.14 1.85 -4.90 -1.12 6.94 -1.26 -4.92 115.26 112.99 3hwk n ASN 113 Ca 0.21 -1.87 -0.28 0.00 -0.02 0.00 0.00 54.58 52.61 3hwk n ASN 113 Cb 0.59 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.05 3hwk n ASN 113 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hwk s HIS 115 N -3.16 3.21 0.58 0.00 2.46 -1.26 -4.92 115.29 112.19 3hwk s HIS 115 Ca 0.56 1.34 0.28 0.00 0.47 0.00 0.00 55.06 57.71 3hwk s HIS 115 Cb -0.11 -3.60 1.52 0.00 -0.13 0.00 0.00 32.58 30.26 3hwk s HIS 115 CO 0.48 -1.76 1.99 -1.35 -2.47 0.00 0.00 174.74 171.63 3hwk h PRO 116 N 4.44 0.00 -0.35 2.88 0.11 -1.96 0.96 132.00 138.08 3hwk h PRO 116 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3hwk h PRO 116 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3hwk h PRO 116 CO 0.72 0.00 0.10 0.52 -0.21 0.00 0.00 178.00 179.12 3hwk h MET 117 N 0.00 0.50 -0.81 1.05 2.86 -1.91 -2.34 114.93 114.29 3hwk h MET 117 Ca 0.18 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3hwk h MET 117 Cb 0.91 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 3hwk h MET 117 CO -0.00 0.46 0.53 -0.44 1.06 0.00 0.00 176.91 178.51 3hwk h ASP 118 N 0.50 0.73 -0.15 1.22 3.32 -1.17 0.28 116.42 121.15 3hwk h ASP 118 Ca 0.12 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 3hwk h ASP 118 Cb 0.18 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hwk h ASP 118 CO -0.01 0.45 -0.32 0.58 -1.72 0.00 0.00 179.24 178.23 3hwk h VAL 119 N 0.82 1.36 -0.77 -1.35 2.07 -1.48 -0.51 116.25 116.39 3hwk h VAL 119 Ca 0.36 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 3hwk h VAL 119 Cb 0.33 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3hwk h VAL 119 CO -0.13 0.48 0.27 0.58 0.02 0.00 0.00 177.57 178.78 3hwk h VAL 120 N 0.11 1.26 0.00 2.57 2.07 -1.08 0.10 116.25 121.29 3hwk h VAL 120 Ca 0.00 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3hwk h VAL 120 Cb 0.92 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3hwk h VAL 120 CO 0.07 0.35 -0.00 -0.09 0.02 0.00 0.00 177.57 177.92 3hwk h ARG 121 N 1.13 -0.01 -0.26 1.57 2.43 -0.86 -2.09 114.38 116.30 3hwk h ARG 121 Ca 0.25 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3hwk h ARG 121 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3hwk h ARG 121 CO -0.01 0.12 -0.06 1.15 -1.51 0.00 0.00 179.97 179.65 3hwk h THR 122 N -0.12 1.28 -0.52 0.20 2.02 -0.92 -2.75 112.91 112.10 3hwk h THR 122 Ca -0.00 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3hwk h THR 122 Cb 0.12 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3hwk h THR 122 CO 0.00 0.34 0.34 0.00 0.37 0.00 0.00 175.52 176.57 3hwk h ALA 123 N 0.77 0.66 -0.51 6.16 0.00 -0.79 0.73 119.26 126.28 3hwk h ALA 123 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hwk h ALA 123 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hwk h ALA 123 CO 0.03 0.10 0.23 0.82 0.00 0.00 0.00 179.25 180.43 3hwk h ILE 124 N 0.70 1.20 -0.76 0.00 1.08 -1.39 0.18 117.51 118.52 3hwk h ILE 124 Ca 0.19 -0.57 0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3hwk h ILE 124 Cb -0.08 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 3hwk h ILE 124 CO -0.04 0.22 0.50 -1.28 -0.69 0.00 0.00 178.15 176.86 3hwk h SER 125 N 0.67 0.88 0.02 1.72 0.87 -1.26 -0.69 113.55 115.77 3hwk h SER 125 Ca 0.17 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hwk h SER 125 Cb 0.14 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3hwk h SER 125 CO -0.02 0.64 -0.01 0.22 -0.53 0.00 0.00 176.83 177.13 3hwk h TYR 126 N 1.03 -0.03 -0.99 2.24 3.20 -0.38 -2.51 116.97 119.55 3hwk h TYR 126 Ca 0.28 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.21 3hwk h TYR 126 Cb -0.11 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 3hwk h TYR 126 CO -0.02 0.02 0.64 -0.07 -1.64 0.00 0.00 178.16 177.09 3hwk h LEU 127 N -0.07 1.01 -0.52 2.82 3.38 -0.32 -2.23 115.31 119.39 3hwk h LEU 127 Ca -0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hwk h LEU 127 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hwk h LEU 127 CO 0.00 0.64 0.24 1.23 0.09 0.00 0.00 178.44 180.64 3hwk h GLY 128 N 1.15 0.73 1.44 0.83 0.00 -0.94 -1.96 103.07 104.30 3hwk h GLY 128 Ca 0.43 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.62 3hwk h GLY 128 CO -0.17 0.07 0.34 0.00 0.00 0.00 0.00 176.54 176.78 3hwk h ALA 129 N 1.31 1.69 0.00 3.60 0.00 -0.97 -2.43 119.26 122.47 3hwk h ALA 129 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hwk h ALA 129 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hwk h ALA 129 CO -0.20 0.26 -0.03 0.93 0.00 0.00 0.00 179.25 180.21 3hwk h GLU 130 N 0.64 0.00 -6.34 0.00 5.08 -0.96 -3.45 114.58 109.55 3hwk h GLU 130 Ca 0.20 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.98 3hwk h GLU 130 Cb 0.01 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 3hwk h GLU 130 CO -0.05 0.00 0.75 0.34 -1.00 0.00 0.00 179.01 179.05 3hwk s ASP 131 N -5.42 6.67 0.57 1.42 -1.08 -0.80 -4.91 116.67 113.12 3hwk s ASP 131 Ca 0.08 0.53 0.26 0.00 -0.52 0.00 0.00 52.55 52.91 3hwk s ASP 131 Cb 0.08 -2.50 1.55 0.00 -1.46 0.00 0.00 42.92 40.59 3hwk s ASP 131 CO 0.64 -1.03 2.08 -0.65 0.52 0.00 0.00 175.17 176.73 3hwk h PRO 132 N 8.77 0.00 -0.62 4.34 0.11 -1.87 -0.74 132.00 141.99 3hwk h PRO 132 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3hwk h PRO 132 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hwk h PRO 132 CO 1.05 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.59 3hwk n ASP 133 N -4.02 3.57 -0.34 -2.05 8.00 -1.26 -4.70 116.55 115.74 3hwk n ASP 133 Ca 0.03 -1.99 0.05 0.00 0.71 0.00 0.00 54.79 53.59 3hwk n ASP 133 Cb 0.37 -0.41 0.13 0.00 -0.02 0.00 0.00 41.12 41.18 3hwk n ASP 133 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3hwk n GLU 134 N 1.47 -0.09 -0.25 -1.24 2.13 -0.29 -1.19 120.64 121.19 3hwk n GLU 134 Ca 0.22 1.48 0.11 0.00 0.66 0.00 0.00 57.16 59.63 3hwk n GLU 134 Cb 0.57 -2.21 0.27 0.00 0.27 0.00 0.00 31.44 30.35 3hwk n GLU 134 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hwk n ASP 135 N -5.54 3.23 -4.36 4.31 8.00 -1.26 -4.32 116.55 116.61 3hwk n ASP 135 Ca 0.15 -1.97 -0.45 0.00 0.71 0.00 0.00 54.79 53.23 3hwk n ASP 135 Cb 0.47 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.23 6.22 0.57 -2.24 2.15 -0.33 -4.94 116.67 116.86 3hwk s ASP 136 Ca 0.40 -1.57 0.38 0.00 0.43 0.00 0.00 52.55 52.19 3hwk s ASP 136 Cb 0.22 -2.28 1.95 0.00 -0.30 0.00 0.00 42.92 42.50 3hwk s ASP 136 CO 0.30 -1.04 2.15 0.00 -0.17 0.00 0.00 175.17 176.40 3hwk h ALA 137 N 9.07 1.00 0.00 3.66 0.00 -1.86 -0.46 119.26 130.67 3hwk h ALA 137 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hwk h ALA 137 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hwk h ALA 137 CO 1.08 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.33 3hwk n ALA 138 N -2.01 2.27 -0.78 0.00 0.00 -1.26 -3.08 120.51 115.65 3hwk n ALA 138 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.41 3hwk n ALA 138 Cb 0.12 -1.45 0.33 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.50 3.25 -0.33 0.00 0.00 -0.18 -4.67 120.51 117.08 3hwk n ALA 139 Ca 0.07 -1.85 0.05 0.00 0.00 0.00 0.00 53.44 51.70 3hwk n ALA 139 Cb 0.32 -0.92 0.20 0.00 0.00 0.00 0.00 19.45 19.05 3hwk n ALA 139 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hwk h ASN 140 N 3.32 0.83 -0.28 0.00 2.35 -1.68 -1.25 115.58 118.87 3hwk h ASN 140 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3hwk h ASN 140 Cb 1.57 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 3hwk h ASN 140 CO 0.30 0.46 0.17 0.03 -1.65 0.00 0.00 177.43 176.74 3hwk h ARG 141 N 0.92 0.37 -0.25 0.81 3.08 -1.88 0.26 114.38 117.69 3hwk h ARG 141 Ca 0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3hwk h ARG 141 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hwk h ARG 141 CO -0.25 0.27 0.16 0.00 -1.07 0.00 0.00 179.97 179.08 3hwk h ALA 142 N 1.08 0.32 -0.45 0.04 0.00 -1.83 -2.06 119.26 116.36 3hwk h ALA 142 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hwk h ALA 142 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hwk h ALA 142 CO -0.02 -0.19 0.28 0.87 0.00 0.00 0.00 179.25 180.19 3hwk h LYS 143 N 0.32 0.61 -0.59 0.00 1.57 -0.67 -0.79 116.57 117.02 3hwk h LYS 143 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hwk h LYS 143 Cb -0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3hwk h LYS 143 CO -0.02 0.44 0.27 0.00 -0.57 0.00 0.00 179.45 179.57 3hwk h ALA 144 N 1.13 0.76 -0.56 3.86 0.00 -0.42 -1.43 119.26 122.60 3hwk h ALA 144 Ca 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hwk h ALA 144 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3hwk h ALA 144 CO -0.03 0.33 0.37 1.98 0.00 0.00 0.00 179.25 181.90 3hwk h MET 145 N 0.80 0.73 -0.68 0.00 1.85 -1.10 -0.16 114.93 116.37 3hwk h MET 145 Ca 0.20 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.27 3hwk h MET 145 Cb 0.13 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 3hwk h MET 145 CO -0.02 0.48 0.43 0.00 -0.40 0.00 0.00 176.91 177.40 3hwk h ARG 146 N 0.75 0.84 -0.41 0.39 3.08 -0.57 -1.30 114.38 117.16 3hwk h ARG 146 Ca 0.21 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 3hwk h ARG 146 Cb -0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 3hwk h ARG 146 CO -0.05 0.56 -0.20 0.52 -1.07 0.00 0.00 179.97 179.73 3hwk h MET 147 N 0.87 0.87 -0.67 0.04 2.86 -1.04 -2.14 114.93 115.73 3hwk h MET 147 Ca 0.26 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3hwk h MET 147 Cb -0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3hwk h MET 147 CO -0.08 1.03 0.25 1.98 1.06 0.00 0.00 176.91 181.15 3hwk h MET 148 N 0.69 0.99 -0.04 1.72 1.85 -0.80 -1.98 114.93 117.36 3hwk h MET 148 Ca 0.09 -0.17 -0.21 0.00 -0.61 0.00 0.00 59.70 58.80 3hwk h MET 148 Cb 0.77 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.63 3hwk h MET 148 CO 0.06 0.81 -0.86 0.00 -0.40 0.00 0.00 176.91 176.53 3hwk h ALA 149 N 1.31 0.44 0.00 0.39 0.00 -1.08 -3.35 119.26 116.97 3hwk h ALA 149 Ca 0.22 -0.67 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3hwk h ALA 149 Cb 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hwk h ALA 149 CO -0.02 0.79 -1.56 -0.24 0.00 0.00 0.00 179.25 178.22 3hwk h VAL 150 N 0.26 0.89 -0.82 0.00 3.04 -1.31 -3.38 116.25 114.93 3hwk h VAL 150 Ca -0.06 -2.67 0.20 0.00 -1.01 0.00 0.00 66.70 63.16 3hwk h VAL 150 Cb 1.47 2.41 -0.12 0.00 -2.01 0.00 0.00 31.29 33.03 3hwk h VAL 150 CO 0.15 0.51 0.24 -0.07 -1.01 0.00 0.00 177.57 177.39 3hwk h LEU 151 N 0.00 0.08 -1.28 3.16 3.38 -1.49 -0.17 115.31 119.00 3hwk h LEU 151 Ca -0.23 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hwk h LEU 151 Cb 1.91 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.85 3hwk h LEU 151 CO 0.08 -0.06 -0.02 -0.65 0.09 0.00 0.00 178.44 177.88 3hwk h PRO 152 N 0.28 0.46 -0.28 1.13 0.11 -1.77 -0.88 132.00 131.05 3hwk h PRO 152 Ca 0.49 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 3hwk h PRO 152 Cb 0.91 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3hwk h PRO 152 CO -0.56 0.51 0.08 1.15 -0.21 0.00 0.00 178.00 178.97 3hwk h THR 153 N 0.45 1.21 -0.16 -1.15 2.02 -1.27 -1.04 112.91 112.96 3hwk h THR 153 Ca 0.10 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3hwk h THR 153 Cb 0.32 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hwk h THR 153 CO 0.01 0.22 0.09 0.40 0.37 0.00 0.00 175.52 176.62 3hwk h ILE 154 N 0.29 1.09 -0.57 3.11 2.04 -1.01 -2.36 117.51 120.10 3hwk h ILE 154 Ca 0.09 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hwk h ILE 154 Cb 0.26 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3hwk h ILE 154 CO -0.00 0.08 0.31 0.58 0.00 0.00 0.00 178.15 179.13 3hwk h VAL 155 N 0.18 1.19 -0.49 1.67 2.07 -1.05 -1.56 116.25 118.26 3hwk h VAL 155 Ca 0.06 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3hwk h VAL 155 Cb 0.05 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3hwk h VAL 155 CO -0.01 0.20 0.30 0.00 0.02 0.00 0.00 177.57 178.08 3hwk h ALA 156 N 1.14 0.62 -0.67 1.67 0.00 -1.19 -0.92 119.26 119.91 3hwk h ALA 156 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hwk h ALA 156 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hwk h ALA 156 CO -0.03 0.11 0.38 0.82 0.00 0.00 0.00 179.25 180.53 3hwk h ILE 157 N 0.65 1.20 -0.29 0.00 2.04 -1.11 -1.05 117.51 118.96 3hwk h ILE 157 Ca 0.18 -0.49 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 3hwk h ILE 157 Cb -0.01 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3hwk h ILE 157 CO -0.03 0.22 -0.35 -0.78 0.00 0.00 0.00 178.15 177.21 3hwk h ASP 158 N 0.92 0.80 -0.67 1.72 3.58 -1.12 0.87 116.42 122.53 3hwk h ASP 158 Ca 0.24 -0.49 0.02 0.00 0.42 0.00 0.00 57.03 57.22 3hwk h ASP 158 Cb 0.01 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 3hwk h ASP 158 CO -0.04 1.13 0.42 -0.03 -2.88 0.00 0.00 179.24 177.84 3hwk h MET 159 N 0.49 0.82 -0.14 0.28 4.05 -1.04 -3.11 114.93 116.28 3hwk h MET 159 Ca 0.04 -0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.25 3hwk h MET 159 Cb 0.93 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 31.55 3hwk h MET 159 CO 0.08 0.54 -0.52 0.00 0.23 0.00 0.00 176.91 177.25 3hwk h ARG 160 N 0.84 0.60 -0.18 0.39 3.08 -0.92 -3.18 114.38 115.01 3hwk h ARG 160 Ca 0.26 -0.46 0.05 0.00 0.07 0.00 0.00 59.98 59.90 3hwk h ARG 160 Cb -0.03 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3hwk h ARG 160 CO -0.09 1.08 0.15 0.07 -1.07 0.00 0.00 179.97 180.11 3hwk h ARG 161 N 0.24 0.00 0.00 0.04 0.11 -0.74 -0.55 114.38 113.48 3hwk h ARG 161 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3hwk h ARG 161 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3hwk h ARG 161 CO 0.11 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.18 3hwk h ARG 162 N 0.00 0.00 -0.58 0.08 3.08 -1.52 -2.66 114.38 112.79 3hwk h ARG 162 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3hwk h ARG 162 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hwk h ARG 162 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3hwk n ARG 163 N -2.51 2.63 -0.97 0.04 1.74 -0.45 -4.95 116.66 112.18 3hwk n ARG 163 Ca 0.04 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 3hwk n ARG 163 Cb 0.41 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 1.59 0.44 3.76 -0.13 0.00 -1.00 -5.05 105.19 104.80 3hwk n GLY 164 Ca 0.22 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3hwk n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwk s LEU 165 N 0.00 3.80 0.70 0.99 1.43 -0.34 -4.97 118.68 120.29 3hwk s LEU 165 Ca 0.00 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 3hwk s LEU 165 Cb 0.00 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3hwk s LEU 165 CO 0.00 0.27 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 3hwk s PRO 166 N -1.73 2.90 0.37 1.29 0.04 -1.26 -3.03 135.00 133.58 3hwk s PRO 166 Ca 0.22 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 3hwk s PRO 166 Cb -0.12 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 3hwk s PRO 166 CO 0.13 -0.99 1.41 -2.14 0.04 0.00 0.00 177.00 175.45 3hwk s PRO 167 N -5.33 4.16 -0.21 0.56 0.02 -1.26 -4.89 135.00 128.03 3hwk s PRO 167 Ca 0.58 2.42 -0.08 0.00 0.02 0.00 0.00 61.00 63.94 3hwk s PRO 167 Cb -0.11 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 3hwk s PRO 167 CO 0.52 -0.43 0.07 0.42 -0.33 0.00 0.00 177.00 177.25 3hwk s ILE 168 N -1.14 4.66 0.56 2.83 1.01 -1.26 -5.09 121.20 122.77 3hwk s ILE 168 Ca 0.52 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 3hwk s ILE 168 Cb -0.43 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3hwk s ILE 168 CO 0.58 0.40 1.27 0.00 0.00 0.00 0.00 174.94 177.19 3hwk s ALA 169 N 0.91 2.68 0.45 9.38 0.00 -1.26 -4.77 121.76 129.15 3hwk s ALA 169 Ca 0.04 1.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 3hwk s ALA 169 Cb -0.14 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 3hwk s ALA 169 CO 0.03 -1.22 1.00 -2.30 0.00 0.00 0.00 175.76 173.26 3hwk n PRO 170 N -1.26 1.29 -4.03 0.00 -0.02 -1.26 -4.81 135.00 124.91 3hwk n PRO 170 Ca 0.12 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 3hwk n PRO 170 Cb 0.47 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.75 3hwk n PRO 170 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hwk s HIS 171 N -1.32 2.97 -1.76 6.00 2.46 -1.26 -5.00 115.29 117.39 3hwk s HIS 171 Ca 0.65 -1.60 0.22 0.00 0.47 0.00 0.00 55.06 54.79 3hwk s HIS 171 Cb -0.54 -2.00 1.23 0.00 -0.13 0.00 0.00 32.58 31.15 3hwk s HIS 171 CO 0.56 -0.75 1.70 -1.13 -2.47 0.00 0.00 174.74 172.65 3hwk n SER 172 N 4.64 0.00 0.04 9.88 3.41 -1.26 -1.80 113.62 128.53 3hwk n SER 172 Ca -0.18 -0.42 0.12 0.00 -0.26 0.00 0.00 58.87 58.14 3hwk n SER 172 Cb 0.48 -0.12 0.25 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.46 -1.40 3.78 5.00 0.00 -1.26 -4.92 105.19 106.84 3hwk n GLY 173 Ca 0.14 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.81 3.88 1.08 0.99 1.43 -0.74 -5.11 118.68 116.40 3hwk s LEU 174 Ca 0.09 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3hwk s LEU 174 Cb 0.15 -2.29 0.25 0.00 0.03 0.00 0.00 46.19 44.33 3hwk s LEU 174 CO 0.69 0.26 1.25 -0.83 0.23 0.00 0.00 176.35 177.95 3hwk s GLY 175 N -1.79 1.72 0.10 -3.19 0.00 -1.26 -4.67 107.32 98.23 3hwk s GLY 175 Ca 0.23 -1.17 -0.26 0.00 0.00 0.00 0.00 44.72 43.51 3hwk s GLY 175 CO 0.15 -0.33 1.67 -1.82 0.00 0.00 0.00 173.10 172.77 3hwk h TYR 176 N -2.08 -0.50 -0.40 1.90 5.03 -1.99 0.52 116.97 119.45 3hwk h TYR 176 Ca -0.44 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 60.85 3hwk h TYR 176 Cb 1.25 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.71 3hwk h TYR 176 CO -1.76 -0.29 0.15 0.00 -1.32 0.00 0.00 178.16 174.94 3hwk h ALA 177 N 0.36 0.52 -0.52 1.82 0.00 -1.95 -2.20 119.26 117.30 3hwk h ALA 177 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hwk h ALA 177 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hwk h ALA 177 CO -0.06 0.14 -0.04 1.96 0.00 0.00 0.00 179.25 181.25 3hwk h GLN 178 N 0.49 0.91 -0.15 0.00 4.20 -1.87 -2.85 115.11 115.85 3hwk h GLN 178 Ca 0.13 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3hwk h GLN 178 Cb 0.22 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hwk h GLN 178 CO -0.01 0.92 0.02 -0.97 -0.67 0.00 0.00 178.83 178.12 3hwk h ASN 179 N 0.83 0.24 -0.46 1.46 -1.24 -0.78 0.35 115.58 115.98 3hwk h ASN 179 Ca 0.15 -0.27 0.02 0.00 0.71 0.00 0.00 56.30 56.90 3hwk h ASN 179 Cb 0.54 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 3hwk h ASN 179 CO 0.03 0.45 0.28 0.15 -1.29 0.00 0.00 177.43 177.05 3hwk h PHE 180 N 0.02 0.53 -0.26 0.67 3.04 -1.36 0.20 116.94 119.78 3hwk h PHE 180 Ca 0.04 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.01 3hwk h PHE 180 Cb 0.32 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3hwk h PHE 180 CO 0.02 0.31 0.17 -0.07 -2.02 0.00 0.00 178.31 176.72 3hwk h LEU 181 N 0.57 0.28 -0.80 0.59 3.38 -1.41 -0.74 115.31 117.18 3hwk h LEU 181 Ca 0.18 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.24 3hwk h LEU 181 Cb -0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3hwk h LEU 181 CO -0.07 0.21 0.45 -0.74 0.09 0.00 0.00 178.44 178.37 3hwk h HIS 182 N 0.34 0.81 0.00 1.13 2.76 -0.37 -1.00 115.15 118.82 3hwk h HIS 182 Ca 0.10 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 3hwk h HIS 182 Cb -0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 3hwk h HIS 182 CO -0.07 0.32 -0.38 0.52 -1.30 0.00 0.00 177.93 177.02 3hwk h MET 183 N 0.75 0.00 0.02 5.26 2.86 -0.07 0.62 114.93 124.37 3hwk h MET 183 Ca 0.39 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.89 3hwk h MET 183 Cb 0.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.05 3hwk h MET 183 CO -0.25 0.38 -0.56 0.00 1.06 0.00 0.00 176.91 177.55 3hwk n PHE 185 N -4.27 0.00 0.00 0.00 3.72 -0.44 -4.93 117.46 111.54 3hwk n PHE 185 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3hwk n PHE 185 Cb 0.66 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.79 2.17 3.04 1.37 0.00 0.20 -5.01 105.19 108.76 3hwk n GLY 186 Ca -0.00 0.00 -0.11 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 -0.80 0.48 -0.06 1.61 2.12 -1.26 -4.98 118.70 115.82 3hwk s GLU 187 Ca 0.00 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 3hwk s GLU 187 Cb 0.00 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 3hwk s GLU 187 CO 0.00 0.01 1.16 0.08 -0.54 0.00 0.00 175.26 175.98 3hwk s VAL 188 N -1.58 4.34 0.31 3.70 1.01 -1.26 -3.96 120.40 122.96 3hwk s VAL 188 Ca -0.10 1.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 3hwk s VAL 188 Cb -0.09 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.30 3hwk s VAL 188 CO -0.01 0.01 0.33 -0.81 0.00 0.00 0.00 175.10 174.63 3hwk n PRO 189 N 5.07 -1.09 -1.67 2.72 -0.04 -1.26 -5.00 135.00 133.72 3hwk n PRO 189 Ca 0.10 -0.52 -0.37 0.00 -0.04 0.00 0.00 63.50 62.67 3hwk n PRO 189 Cb 0.47 -0.43 0.07 0.00 -0.04 0.00 0.00 33.50 33.57 3hwk n PRO 189 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hwk n GLU 190 N -2.17 1.00 -0.19 0.54 4.71 -1.26 -4.71 120.64 118.57 3hwk n GLU 190 Ca 0.04 0.40 0.08 0.00 -0.01 0.00 0.00 57.16 57.67 3hwk n GLU 190 Cb 0.16 -2.41 0.37 0.00 -1.01 0.00 0.00 31.44 28.55 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 0.45 0.98 -0.26 2.62 2.02 -1.99 -0.54 112.91 116.19 3hwk h THR 191 Ca -0.50 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3hwk h THR 191 Cb 1.35 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3hwk h THR 191 CO 0.52 0.13 0.05 0.00 0.37 0.00 0.00 175.52 176.59 3hwk h ALA 192 N 1.61 1.61 0.09 6.16 0.00 -1.98 0.58 119.26 127.32 3hwk h ALA 192 Ca 0.33 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3hwk h ALA 192 Cb 0.35 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hwk h ALA 192 CO -0.12 0.30 -0.82 0.28 0.00 0.00 0.00 179.25 178.89 3hwk h VAL 193 N 0.37 1.44 -0.53 0.00 2.07 -1.47 -2.39 116.25 115.73 3hwk h VAL 193 Ca 0.09 -2.35 0.07 0.00 0.82 0.00 0.00 66.70 65.33 3hwk h VAL 193 Cb 0.17 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 3hwk h VAL 193 CO -0.00 0.68 0.19 0.58 0.02 0.00 0.00 177.57 179.05 3hwk h VAL 194 N -0.15 0.82 -0.27 2.57 2.07 -1.01 -1.00 116.25 119.28 3hwk h VAL 194 Ca -0.13 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3hwk h VAL 194 Cb 1.58 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3hwk h VAL 194 CO 0.16 0.07 -0.15 -1.28 0.02 0.00 0.00 177.57 176.38 3hwk h SER 195 N 0.38 0.60 -0.23 0.57 0.87 -0.95 -0.60 113.55 114.19 3hwk h SER 195 Ca 0.26 -0.42 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 3hwk h SER 195 Cb 0.28 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3hwk h SER 195 CO -0.26 0.89 -0.07 0.00 -0.53 0.00 0.00 176.83 176.87 3hwk h ALA 196 N 0.73 1.22 -0.05 6.23 0.00 -1.27 -1.50 119.26 124.62 3hwk h ALA 196 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hwk h ALA 196 Cb 0.67 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hwk h ALA 196 CO 0.04 0.51 -0.01 0.35 0.00 0.00 0.00 179.25 180.14 3hwk h PHE 197 N 0.55 0.10 -0.35 0.00 3.57 -0.83 -1.86 116.94 118.11 3hwk h PHE 197 Ca 0.11 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3hwk h PHE 197 Cb 0.45 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3hwk h PHE 197 CO 0.02 0.41 0.07 1.49 -2.23 0.00 0.00 178.31 178.06 3hwk h GLU 198 N -0.25 0.18 -0.62 1.11 4.81 -1.00 -1.45 114.58 117.36 3hwk h GLU 198 Ca 0.01 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3hwk h GLU 198 Cb 0.38 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 3hwk h GLU 198 CO 0.00 0.12 0.28 1.96 -0.73 0.00 0.00 179.01 180.65 3hwk h GLN 199 N 0.18 0.49 -0.58 1.92 4.20 -1.24 -1.40 115.11 118.70 3hwk h GLN 199 Ca 0.17 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.90 3hwk h GLN 199 Cb 0.19 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 3hwk h GLN 199 CO -0.22 0.33 0.29 1.03 -0.67 0.00 0.00 178.83 179.59 3hwk h SER 200 N 0.51 0.41 -0.67 1.46 0.87 -0.56 0.21 113.55 115.78 3hwk h SER 200 Ca 0.30 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 3hwk h SER 200 Cb 0.31 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3hwk h SER 200 CO -0.25 0.27 0.44 0.24 -0.53 0.00 0.00 176.83 177.00 3hwk h MET 201 N 0.55 0.73 -0.10 2.24 2.86 -0.47 -1.06 114.93 119.68 3hwk h MET 201 Ca 0.26 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.69 3hwk h MET 201 Cb 0.18 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hwk h MET 201 CO -0.19 0.48 -0.60 0.82 1.06 0.00 0.00 176.91 178.48 3hwk h ILE 202 N 0.75 1.34 0.00 -1.22 2.04 -0.42 -3.07 117.51 116.94 3hwk h ILE 202 Ca 0.28 -1.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.16 3hwk h ILE 202 Cb 0.16 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3hwk h ILE 202 CO -0.08 0.58 -0.40 -0.07 0.00 0.00 0.00 178.15 178.18 3hwk h LEU 203 N 0.23 0.00 -0.53 1.44 3.38 -0.58 -2.88 115.31 116.36 3hwk h LEU 203 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hwk h LEU 203 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hwk h LEU 203 CO 0.12 0.40 -0.24 -1.22 0.09 0.00 0.00 178.44 177.60 3hwk n TYR 204 N -3.63 0.00 0.02 1.13 4.01 -0.44 -4.61 117.16 113.64 3hwk n TYR 204 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3hwk n TYR 204 Cb 0.50 -0.11 0.22 0.00 -0.31 0.00 0.00 39.34 39.64 3hwk n TYR 204 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hwk h ALA 205 N 3.73 1.16 -2.57 -0.72 0.00 -1.40 -3.34 119.26 116.12 3hwk h ALA 205 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3hwk h ALA 205 Cb 0.51 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 17.94 3hwk h ALA 205 CO 0.00 0.53 -0.15 -2.00 0.00 0.00 0.00 179.25 177.63 3hwk s GLU 206 N -4.55 0.56 -0.38 0.00 2.56 -1.26 -0.85 118.70 114.79 3hwk s GLU 206 Ca -0.07 0.67 0.11 0.00 0.00 0.00 0.00 54.97 55.69 3hwk s GLU 206 Cb 0.14 0.27 0.40 0.00 2.00 0.00 0.00 34.13 36.94 3hwk s GLU 206 CO 0.78 -0.07 1.36 1.58 -0.56 0.00 0.00 175.26 178.36 3hwk n HIS 207 N 2.84 -2.01 -4.74 5.30 -0.00 -1.26 -5.06 115.22 110.29 3hwk n HIS 207 Ca -0.13 -1.95 0.00 0.00 0.46 0.00 0.00 57.72 56.10 3hwk n HIS 207 Cb 0.57 1.40 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 -0.78 1.43 2.67 1.57 0.00 -1.26 -3.69 105.19 105.13 3hwk n GLY 208 Ca -0.05 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 6.24 2.44 -0.96 1.61 3.01 -1.26 -4.77 117.46 123.76 3hwk n PHE 209 Ca 0.00 -2.30 -0.29 0.00 1.01 0.00 0.00 57.45 55.86 3hwk n PHE 209 Cb 0.00 -1.34 0.18 0.00 -0.01 0.00 0.00 39.48 38.31 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 -0.45 2.52 0.26 4.37 2.20 -1.24 -4.61 114.94 117.99 3hwk s ASN 210 Ca 0.52 1.50 -0.02 0.00 -0.94 0.00 0.00 52.86 53.92 3hwk s ASN 210 Cb 0.34 -2.18 0.50 0.00 -2.00 0.00 0.00 41.25 37.92 3hwk s ASN 210 CO -0.26 -3.24 1.75 0.00 -2.94 0.00 0.00 177.10 172.41 3hwk h ALA 211 N -1.96 1.20 -0.00 3.54 0.00 -1.95 0.14 119.26 120.21 3hwk h ALA 211 Ca -0.53 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 3hwk h ALA 211 Cb 1.31 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.12 3hwk h ALA 211 CO 0.53 -0.12 -1.01 0.66 0.00 0.00 0.00 179.25 179.30 3hwk h SER 212 N 0.57 0.81 -0.60 0.00 4.64 -1.88 0.12 113.55 117.22 3hwk h SER 212 Ca 0.44 -0.65 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 3hwk h SER 212 Cb 0.63 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3hwk h SER 212 CO -0.37 1.45 0.21 0.74 -0.87 0.00 0.00 176.83 177.99 3hwk h THR 213 N 0.36 1.24 -0.56 2.95 2.02 -1.73 -1.01 112.91 116.17 3hwk h THR 213 Ca -0.11 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 3hwk h THR 213 Cb 1.66 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 3hwk h THR 213 CO 0.19 0.30 0.27 0.15 0.37 0.00 0.00 175.52 176.80 3hwk h PHE 214 N 0.84 0.81 -0.95 3.16 3.57 -0.64 -0.96 116.94 122.77 3hwk h PHE 214 Ca 0.20 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3hwk h PHE 214 Cb 0.25 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3hwk h PHE 214 CO 0.01 0.63 0.61 0.00 -2.23 0.00 0.00 178.31 177.33 3hwk h ALA 215 N 1.11 1.30 -0.51 2.41 0.00 -0.81 -0.77 119.26 121.98 3hwk h ALA 215 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3hwk h ALA 215 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hwk h ALA 215 CO -0.02 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.74 3hwk h ALA 216 N 1.42 1.21 -0.02 0.00 0.00 -0.47 -1.67 119.26 119.73 3hwk h ALA 216 Ca 0.40 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 216 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hwk h ALA 216 CO -0.16 0.54 -0.66 0.00 0.00 0.00 0.00 179.25 178.97 3hwk h ARG 217 N 0.77 0.09 -0.25 0.00 3.08 -0.42 -1.42 114.38 116.24 3hwk h ARG 217 Ca 0.17 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3hwk h ARG 217 Cb 0.32 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3hwk h ARG 217 CO 0.00 0.72 0.00 0.28 -1.07 0.00 0.00 179.97 179.91 3hwk h VAL 218 N 0.06 1.25 -0.39 2.04 2.07 -0.79 0.14 116.25 120.64 3hwk h VAL 218 Ca -0.01 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3hwk h VAL 218 Cb 1.18 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3hwk h VAL 218 CO 0.09 0.28 0.23 0.58 0.02 0.00 0.00 177.57 178.77 3hwk h VAL 219 N 0.21 1.14 -0.34 2.57 2.07 -1.24 -2.64 116.25 118.02 3hwk h VAL 219 Ca 0.07 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3hwk h VAL 219 Cb 0.40 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3hwk h VAL 219 CO 0.01 0.14 0.08 0.74 0.02 0.00 0.00 177.57 178.57 3hwk h THR 220 N 0.51 1.16 0.00 2.57 2.02 -1.19 -3.09 112.91 114.89 3hwk h THR 220 Ca 0.14 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3hwk h THR 220 Cb 0.03 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3hwk h THR 220 CO -0.02 0.20 0.00 0.77 0.37 0.00 0.00 175.52 176.84 3hwk h SER 221 N 0.48 0.00 -0.11 4.18 4.64 -0.33 0.72 113.55 123.13 3hwk h SER 221 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3hwk h SER 221 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3hwk h SER 221 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3hwk n THR 222 N -2.62 0.13 -1.23 2.95 -2.24 -1.17 -3.76 114.28 106.34 3hwk n THR 222 Ca -0.02 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3hwk n THR 222 Cb 0.07 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.38 -0.55 -1.22 -0.78 6.02 0.25 -5.04 117.38 116.43 3hwk n GLN 223 Ca 0.17 0.78 -0.29 0.00 -0.01 0.00 0.00 57.00 57.66 3hwk n GLN 223 Cb 0.37 -4.62 0.17 0.00 1.02 0.00 0.00 30.24 27.18 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 -2.92 2.81 0.67 1.08 0.15 -1.23 -5.03 113.70 109.24 3hwk s SER 224 Ca 0.00 1.18 -0.08 0.00 0.70 0.00 0.00 55.95 57.75 3hwk s SER 224 Cb 0.00 -1.84 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 3hwk s SER 224 CO 0.00 -3.01 1.01 1.51 1.20 0.00 0.00 173.24 173.94 3hwk s ASP 225 N -3.53 5.21 0.20 5.45 -4.77 -1.26 -4.64 116.67 113.33 3hwk s ASP 225 Ca 0.65 0.73 -0.09 0.00 -3.30 0.00 0.00 52.55 50.54 3hwk s ASP 225 Cb -0.18 -1.53 0.13 0.00 -1.09 0.00 0.00 42.92 40.26 3hwk s ASP 225 CO 0.57 -1.37 1.77 -0.29 0.70 0.00 0.00 175.17 176.54 3hwk h ILE 226 N -0.50 1.25 -0.65 2.11 2.10 -1.96 -1.63 117.51 118.23 3hwk h ILE 226 Ca -0.45 -0.78 0.02 0.00 1.08 0.00 0.00 64.86 64.73 3hwk h ILE 226 Cb 1.28 0.38 -0.04 0.00 -1.09 0.00 0.00 36.82 37.36 3hwk h ILE 226 CO 0.62 0.32 0.42 1.88 -1.08 0.00 0.00 178.15 180.31 3hwk h TYR 227 N 1.06 0.80 -0.75 2.19 0.05 -1.94 -1.08 116.97 117.29 3hwk h TYR 227 Ca 0.25 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 3hwk h TYR 227 Cb 0.20 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 3hwk h TYR 227 CO 0.02 0.48 0.37 0.77 -1.05 0.00 0.00 178.16 178.75 3hwk h SER 228 N 0.85 0.95 -0.38 3.88 0.02 -1.79 0.12 113.55 117.21 3hwk h SER 228 Ca 0.25 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 3hwk h SER 228 Cb -0.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3hwk h SER 228 CO -0.08 0.79 -0.18 0.00 -1.14 0.00 0.00 176.83 176.23 3hwk h ALA 229 N 1.35 0.53 -0.34 3.77 0.00 -0.98 -1.67 119.26 121.93 3hwk h ALA 229 Ca 0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3hwk h ALA 229 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hwk h ALA 229 CO -0.04 0.46 -0.05 0.28 0.00 0.00 0.00 179.25 179.90 3hwk h VAL 230 N 0.58 1.27 -0.93 0.00 2.07 -0.95 -0.06 116.25 118.23 3hwk h VAL 230 Ca 0.08 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.60 3hwk h VAL 230 Cb 0.73 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 3hwk h VAL 230 CO 0.05 0.36 0.58 0.74 0.02 0.00 0.00 177.57 179.32 3hwk h THR 231 N 0.43 1.01 -0.32 2.57 2.02 -0.94 0.33 112.91 118.01 3hwk h THR 231 Ca 0.09 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3hwk h THR 231 Cb 0.54 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3hwk h THR 231 CO 0.03 0.19 0.06 1.23 0.37 0.00 0.00 175.52 177.39 3hwk h GLY 232 N 1.01 0.57 1.01 2.16 0.00 -0.96 -2.39 103.07 104.47 3hwk h GLY 232 Ca 0.42 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3hwk h GLY 232 CO -0.20 0.35 0.52 0.00 0.00 0.00 0.00 176.54 177.21 3hwk h ALA 233 N 0.89 1.02 -0.72 3.60 0.00 -0.31 -1.39 119.26 122.34 3hwk h ALA 233 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hwk h ALA 233 Cb 0.34 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3hwk h ALA 233 CO 0.01 0.44 0.46 0.82 0.00 0.00 0.00 179.25 180.97 3hwk h ILE 234 N 1.09 1.11 -0.66 0.00 2.04 -0.31 0.19 117.51 120.96 3hwk h ILE 234 Ca 0.29 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3hwk h ILE 234 Cb -0.11 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 3hwk h ILE 234 CO -0.06 0.16 0.41 1.23 0.00 0.00 0.00 178.15 179.89 3hwk h GLY 235 N 0.89 0.96 0.96 5.37 0.00 -0.90 -1.59 103.07 108.76 3hwk h GLY 235 Ca 0.29 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3hwk h GLY 235 CO -0.11 0.25 -0.08 0.00 0.00 0.00 0.00 176.54 176.61 3hwk h ALA 236 N 1.29 0.53 -0.17 3.60 0.00 -0.38 -2.94 119.26 121.19 3hwk h ALA 236 Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hwk h ALA 236 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hwk h ALA 236 CO -0.11 0.38 0.08 1.25 0.00 0.00 0.00 179.25 180.85 3hwk h LEU 237 N 0.55 0.20 -1.47 0.00 5.85 -0.30 -2.72 115.31 117.42 3hwk h LEU 237 Ca 0.10 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.97 3hwk h LEU 237 Cb 0.59 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3hwk h LEU 237 CO 0.04 0.18 0.55 0.50 -0.34 0.00 0.00 178.44 179.36 3hwk h LYS 238 N 0.23 0.48 -7.09 1.25 3.64 -1.10 -1.58 116.57 112.39 3hwk h LYS 238 Ca 0.06 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.87 3hwk h LYS 238 Cb 0.03 -0.11 0.13 0.00 -0.41 0.00 0.00 32.23 31.87 3hwk h LYS 238 CO -0.01 0.32 0.51 0.20 -2.27 0.00 0.00 179.45 178.20 3hwk s GLY 239 N -3.77 2.81 0.57 5.01 0.00 -1.03 -3.54 107.32 107.37 3hwk s GLY 239 Ca -0.09 1.13 0.27 0.00 0.00 0.00 0.00 44.72 46.03 3hwk s GLY 239 CO 0.78 1.55 2.22 3.21 0.00 0.00 0.00 173.10 180.85 3hwk h ARG 240 N 0.89 0.00 -0.01 2.90 3.08 -1.87 -0.00 114.38 119.36 3hwk h ARG 240 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3hwk h ARG 240 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3hwk h ARG 240 CO 0.55 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.74 3hwk n LEU 241 N -3.97 1.36 0.00 3.04 4.77 -1.26 -3.43 117.00 117.50 3hwk n LEU 241 Ca -0.03 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3hwk n LEU 241 Cb 0.10 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hwk n LEU 241 CO 0.29 0.23 0.00 1.57 -1.33 0.00 0.00 177.39 178.15 3hwk n HIS 242 N 0.06 0.00 0.33 -1.77 -0.00 -0.19 -4.98 115.22 108.68 3hwk n HIS 242 Ca 0.19 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.52 3hwk n HIS 242 Cb 0.33 0.00 0.62 0.00 -0.12 0.00 0.00 29.99 30.82 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 -1.26 -2.80 103.07 102.57 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 -0.10 -1.02 0.34 4.60 0.00 -0.21 -3.41 105.19 105.39 3hwk n GLY 244 Ca 0.01 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 2.19 1.07 -0.21 4.61 0.00 -1.52 -2.24 119.26 123.17 3hwk h ALA 245 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hwk h ALA 245 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hwk h ALA 245 CO 0.00 0.61 0.11 -2.95 0.00 0.00 0.00 179.25 177.03 3hwk h ASN 246 N 1.18 0.26 -0.57 0.00 7.08 -1.79 0.40 115.58 122.14 3hwk h ASN 246 Ca 0.29 -0.08 0.08 0.00 -3.08 0.00 0.00 56.30 53.51 3hwk h ASN 246 Cb 0.07 -0.07 -0.07 0.00 -2.08 0.00 0.00 38.32 36.18 3hwk h ASN 246 CO -0.04 0.27 0.21 -0.08 -2.08 0.00 0.00 177.43 175.70 3hwk h GLU 247 N 0.23 0.38 0.00 4.14 4.81 -1.79 -2.69 114.58 119.66 3hwk h GLU 247 Ca 0.07 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3hwk h GLU 247 Cb 0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3hwk h GLU 247 CO -0.01 0.25 -0.39 0.00 -0.73 0.00 0.00 179.01 178.13 3hwk h ALA 248 N 1.39 1.33 -0.28 2.92 0.00 -0.64 -1.59 119.26 122.39 3hwk h ALA 248 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hwk h ALA 248 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hwk h ALA 248 CO -0.29 0.48 0.09 0.28 0.00 0.00 0.00 179.25 179.82 3hwk h VAL 249 N 0.00 1.20 -0.38 0.00 2.07 0.07 -2.09 116.25 117.11 3hwk h VAL 249 Ca -0.00 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 3hwk h VAL 249 Cb 0.70 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hwk h VAL 249 CO 0.05 0.21 -0.08 -0.03 0.02 0.00 0.00 177.57 177.74 3hwk h MET 250 N 0.30 0.73 -0.66 1.57 -1.53 -1.19 -0.80 114.93 113.36 3hwk h MET 250 Ca 0.09 -0.27 0.10 0.00 -3.44 0.00 0.00 59.70 56.18 3hwk h MET 250 Cb 0.23 -0.05 -0.07 0.00 -0.55 0.00 0.00 31.60 31.16 3hwk h MET 250 CO -0.00 0.87 0.28 0.45 0.14 0.00 0.00 176.91 178.64 3hwk h HIS 251 N 0.54 0.50 -0.09 1.39 3.86 -1.26 -0.96 115.15 119.11 3hwk h HIS 251 Ca 0.10 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3hwk h HIS 251 Cb 0.59 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3hwk h HIS 251 CO 0.05 0.14 0.06 -0.44 0.86 0.00 0.00 177.93 178.60 3hwk h ASP 252 N 0.48 0.11 -0.50 2.45 3.32 -1.15 -1.11 116.42 120.02 3hwk h ASP 252 Ca 0.33 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.39 3hwk h ASP 252 Cb 0.40 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3hwk h ASP 252 CO -0.30 0.10 0.28 0.24 -1.72 0.00 0.00 179.24 177.84 3hwk h MET 253 N 0.11 0.54 -0.12 3.56 2.86 -0.56 0.39 114.93 121.71 3hwk h MET 253 Ca 0.03 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3hwk h MET 253 Cb 0.01 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 3hwk h MET 253 CO -0.01 0.36 -0.20 0.82 1.06 0.00 0.00 176.91 178.94 3hwk h ILE 254 N 0.55 0.51 -0.72 -1.22 2.04 -1.14 -2.16 117.51 115.36 3hwk h ILE 254 Ca 0.21 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.16 3hwk h ILE 254 Cb 0.06 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 3hwk h ILE 254 CO -0.11 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 178.32 3hwk h GLU 255 N -0.25 0.59 -0.97 2.37 4.81 -0.47 -0.93 114.58 119.72 3hwk h GLU 255 Ca 0.10 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3hwk h GLU 255 Cb 0.39 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 3hwk h GLU 255 CO -0.27 0.39 0.63 0.82 -0.73 0.00 0.00 179.01 179.85 3hwk h ILE 256 N 0.60 1.15 0.00 2.32 2.04 -0.67 -3.46 117.51 119.49 3hwk h ILE 256 Ca 0.36 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hwk h ILE 256 Cb 0.39 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3hwk h ILE 256 CO -0.28 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.70 3hwk n GLY 257 N -1.36 1.94 3.10 5.37 0.00 -0.36 -4.64 105.19 109.24 3hwk n GLY 257 Ca 0.13 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 1.35 0.63 1.61 2.15 -1.26 -4.97 116.67 116.18 3hwk s ASP 258 Ca 0.00 -0.43 0.26 0.00 0.43 0.00 0.00 52.55 52.82 3hwk s ASP 258 Cb 0.00 -0.07 1.38 0.00 -0.30 0.00 0.00 42.92 43.93 3hwk s ASP 258 CO 0.00 -0.01 1.79 1.55 -0.17 0.00 0.00 175.17 178.32 3hwk h PRO 259 N 4.98 0.00 -0.09 4.34 0.13 -1.88 -0.21 132.00 139.27 3hwk h PRO 259 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 3hwk h PRO 259 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3hwk h PRO 259 CO 0.44 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 177.77 3hwk h ALA 260 N 1.20 1.08 0.00 -0.56 0.00 -1.95 -3.24 119.26 115.79 3hwk h ALA 260 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hwk h ALA 260 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hwk h ALA 260 CO -0.00 0.61 -0.23 -0.91 0.00 0.00 0.00 179.25 178.72 3hwk h ASN 261 N 0.18 0.00 -0.54 0.00 2.35 -1.29 -3.40 115.58 112.89 3hwk h ASN 261 Ca 0.01 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3hwk h ASN 261 Cb 0.86 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 3hwk h ASN 261 CO 0.07 0.01 0.35 0.00 -1.65 0.00 0.00 177.43 176.20 3hwk h ALA 262 N 2.10 0.69 -0.46 -0.83 0.00 -1.60 -0.68 119.26 118.48 3hwk h ALA 262 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hwk h ALA 262 Cb 0.95 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3hwk h ALA 262 CO 0.00 0.10 0.08 0.07 0.00 0.00 0.00 179.25 179.50 3hwk h ARG 263 N 0.70 0.21 -0.09 0.00 0.11 -1.80 -0.70 114.38 112.81 3hwk h ARG 263 Ca 0.20 -0.01 -0.18 0.00 0.10 0.00 0.00 59.98 60.09 3hwk h ARG 263 Cb -0.05 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.00 3hwk h ARG 263 CO -0.06 0.14 -0.64 1.49 0.10 0.00 0.00 179.97 181.00 3hwk h GLU 264 N 0.22 0.60 -0.59 0.08 4.57 -1.78 -2.80 114.58 114.87 3hwk h GLU 264 Ca 0.23 -0.52 0.08 0.00 -1.18 0.00 0.00 59.36 57.96 3hwk h GLU 264 Cb 0.29 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 3hwk h GLU 264 CO -0.30 1.14 0.26 2.35 -1.18 0.00 0.00 179.01 181.28 3hwk h TRP 265 N 0.22 0.46 0.67 0.92 7.01 -0.84 -1.83 115.95 122.55 3hwk h TRP 265 Ca -0.05 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 3hwk h TRP 265 Cb 1.29 -0.12 0.01 0.00 -2.10 0.00 0.00 29.16 28.24 3hwk h TRP 265 CO 0.11 0.17 -0.32 1.25 -2.79 0.00 0.00 178.44 176.86 3hwk h LEU 266 N 0.47 -0.76 -0.87 0.65 5.85 -1.20 -2.58 115.31 116.88 3hwk h LEU 266 Ca 0.28 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.24 3hwk h LEU 266 Cb 0.28 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.36 3hwk h LEU 266 CO -0.25 -0.37 0.06 0.03 -0.34 0.00 0.00 178.44 177.57 3hwk h ARG 267 N -1.23 0.09 -0.30 1.25 -0.00 -1.42 0.96 114.38 113.73 3hwk h ARG 267 Ca -0.09 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.37 3hwk h ARG 267 Cb 0.69 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 3hwk h ARG 267 CO 0.15 0.06 0.13 0.00 0.00 0.00 0.00 179.97 180.31 3hwk h ALA 268 N 1.83 0.39 -0.49 0.04 0.00 -1.37 -2.23 119.26 117.43 3hwk h ALA 268 Ca 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3hwk h ALA 268 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hwk h ALA 268 CO -0.76 -0.02 0.12 0.87 0.00 0.00 0.00 179.25 179.46 3hwk h LYS 269 N 0.35 0.73 -0.05 0.00 1.57 -0.64 -2.77 116.57 115.76 3hwk h LYS 269 Ca 0.10 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3hwk h LYS 269 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hwk h LYS 269 CO -0.01 0.66 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.98 3hwk h LEU 270 N 0.71 0.13 -0.67 2.94 3.38 -0.73 -2.56 115.31 118.50 3hwk h LEU 270 Ca 0.16 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hwk h LEU 270 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hwk h LEU 270 CO -0.00 0.58 -0.25 0.00 0.09 0.00 0.00 178.44 178.86 3hwk h ALA 271 N 1.42 0.92 -0.06 1.53 0.00 -1.20 -1.58 119.26 120.29 3hwk h ALA 271 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hwk h ALA 271 Cb 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hwk h ALA 271 CO 0.07 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.17 3hwk n ARG 272 N -3.28 1.20 -2.48 0.00 1.74 -1.06 -4.93 116.66 107.85 3hwk n ARG 272 Ca 0.01 -0.30 -0.17 0.00 -0.77 0.00 0.00 57.85 56.62 3hwk n ARG 272 Cb 0.52 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.40 -2.13 -2.64 5.56 -0.00 -0.60 -4.98 118.16 112.96 3hwk n LYS 273 Ca 0.10 0.81 -0.32 0.00 -0.00 0.00 0.00 58.31 58.91 3hwk n LYS 273 Cb 0.11 -5.47 -0.04 0.00 -0.00 0.00 0.00 35.03 29.64 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 -5.10 3.92 0.12 -1.58 2.02 -0.98 -5.04 118.70 112.06 3hwk s GLU 274 Ca 0.03 0.79 -0.30 0.00 0.02 0.00 0.00 54.97 55.51 3hwk s GLU 274 Cb -0.01 -2.24 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 3hwk s GLU 274 CO 0.03 -0.14 1.18 -1.59 0.02 0.00 0.00 175.26 174.76 3hwk s LYS 275 N -3.83 4.48 -0.28 1.61 0.00 -1.26 -4.73 119.74 115.73 3hwk s LYS 275 Ca 0.56 1.79 -0.18 0.00 0.00 0.00 0.00 55.97 58.14 3hwk s LYS 275 Cb -0.10 -3.30 -0.02 0.00 0.00 0.00 0.00 37.83 34.41 3hwk s LYS 275 CO 0.28 -0.14 0.53 0.42 0.00 0.00 0.00 175.35 176.44 3hwk s ILE 276 N 0.50 5.04 0.26 3.79 -1.09 -1.26 -5.04 121.20 123.40 3hwk s ILE 276 Ca 0.55 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.46 3hwk s ILE 276 Cb -0.30 -3.88 -0.10 0.00 -1.58 0.00 0.00 42.46 36.60 3hwk s ILE 276 CO 0.32 -0.01 1.32 -0.04 -1.23 0.00 0.00 174.94 175.31 3hwk s MET 277 N 2.38 4.37 0.00 2.79 -1.94 -1.26 -2.57 119.30 123.06 3hwk s MET 277 Ca 0.21 2.15 0.00 0.00 -1.71 0.00 0.00 55.69 56.34 3hwk s MET 277 Cb -0.15 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.55 3hwk s MET 277 CO 0.10 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.29 3hwk n GLY 278 N 1.68 0.85 3.25 -0.03 0.00 -1.26 -4.82 105.19 104.86 3hwk n GLY 278 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hwk n GLY 278 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwk s PHE 279 N -2.56 1.78 0.00 1.61 0.40 -1.06 -0.05 117.98 118.10 3hwk s PHE 279 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3hwk s PHE 279 Cb 0.00 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.47 3hwk s PHE 279 CO 0.00 0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.42 3hwk n GLY 280 N 1.81 2.51 3.24 4.36 0.00 -1.25 -4.75 105.19 111.11 3hwk n GLY 280 Ca -0.17 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 3hwk n GLY 280 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwk s HIS 281 N 0.00 -0.31 0.20 1.61 2.46 -1.26 -4.81 115.29 113.18 3hwk s HIS 281 Ca 0.00 0.70 -0.04 0.00 0.47 0.00 0.00 55.06 56.18 3hwk s HIS 281 Cb 0.00 0.12 0.14 0.00 -0.13 0.00 0.00 32.58 32.71 3hwk s HIS 281 CO 0.00 -0.26 1.57 -0.09 -2.47 0.00 0.00 174.74 173.49 3hwk h ARG 282 N 4.97 0.70 0.00 2.88 9.65 -2.01 -3.40 114.38 127.17 3hwk h ARG 282 Ca -0.28 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 3hwk h ARG 282 Cb 1.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3hwk h ARG 282 CO 0.33 0.96 -0.51 0.28 2.80 0.00 0.00 179.97 183.83 3hwk n VAL 283 N -4.05 0.86 -1.68 0.20 0.31 -1.26 -4.95 118.33 107.75 3hwk n VAL 283 Ca -0.02 0.30 -0.45 0.00 -0.01 0.00 0.00 64.34 64.17 3hwk n VAL 283 Cb 0.51 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 3hwk n VAL 283 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3hwk n TYR 284 N -3.64 2.45 -0.02 3.52 4.01 -1.26 -4.89 117.16 117.33 3hwk n TYR 284 Ca -0.07 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3hwk n TYR 284 Cb 0.26 -2.63 -0.06 0.00 -0.31 0.00 0.00 39.34 36.60 3hwk n TYR 284 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hwk n ARG 285 N 4.63 1.51 -2.33 -0.72 5.12 -1.26 -4.47 116.66 119.14 3hwk n ARG 285 Ca 0.18 -0.04 -0.20 0.00 -1.93 0.00 0.00 57.85 55.86 3hwk n ARG 285 Cb 0.32 -1.19 0.02 0.00 -1.16 0.00 0.00 32.46 30.45 3hwk n ARG 285 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hwk n HIS 286 N -2.02 2.59 0.00 -1.55 8.25 -1.26 -4.87 115.22 116.36 3hwk n HIS 286 Ca -0.07 -2.52 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 3hwk n HIS 286 Cb 0.47 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.57 1.48 3.70 -1.41 0.00 -1.26 -4.99 105.19 102.14 3hwk n GLY 287 Ca 0.34 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.10 6.63 0.00 1.61 -1.08 -1.25 -4.92 116.67 117.56 3hwk s ASP 288 Ca 0.00 2.48 0.20 0.00 -0.52 0.00 0.00 52.55 54.71 3hwk s ASP 288 Cb 0.00 -2.57 0.95 0.00 -1.46 0.00 0.00 42.92 39.84 3hwk s ASP 288 CO 0.00 -0.85 1.63 -1.54 0.52 0.00 0.00 175.17 174.93 3hwk n SER 289 N 5.10 0.00 0.04 -0.34 3.41 -1.26 -2.66 113.62 117.91 3hwk n SER 289 Ca 0.15 0.18 0.04 0.00 -0.26 0.00 0.00 58.87 58.98 3hwk n SER 289 Cb 0.40 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.36 0.62 0.25 4.33 1.74 -1.26 -4.54 116.66 116.44 3hwk n ARG 290 Ca 0.08 0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 57.13 3hwk n ARG 290 Cb 0.18 -1.77 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 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 0.50 -0.84 1.55 2.07 -1.87 -2.87 116.25 114.79 3hwk h VAL 291 Ca -0.11 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.60 3hwk h VAL 291 Cb 1.36 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 31.52 3hwk h VAL 291 CO 0.02 0.00 0.33 -0.65 0.02 0.00 0.00 177.57 177.30 3hwk h PRO 292 N -0.62 0.38 -0.28 1.57 0.11 -1.80 0.37 132.00 131.74 3hwk h PRO 292 Ca -0.05 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.06 3hwk h PRO 292 Cb 0.50 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3hwk h PRO 292 CO 0.06 0.25 0.14 1.15 -0.21 0.00 0.00 178.00 179.39 3hwk h THR 293 N 0.40 0.99 -0.18 -1.15 2.02 -1.83 -2.33 112.91 110.82 3hwk h THR 293 Ca 0.50 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 67.41 3hwk h THR 293 Cb 0.89 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3hwk h THR 293 CO -0.50 0.05 -0.59 -0.03 0.37 0.00 0.00 175.52 174.82 3hwk h MET 294 N 0.29 0.61 -0.36 6.66 -1.53 -0.64 -2.23 114.93 117.72 3hwk h MET 294 Ca 0.11 -0.41 0.04 0.00 -3.44 0.00 0.00 59.70 56.01 3hwk h MET 294 Cb 0.03 0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.10 3hwk h MET 294 CO -0.08 1.02 0.14 -0.22 0.14 0.00 0.00 176.91 177.91 3hwk h LYS 295 N 0.46 0.29 -0.98 0.39 3.64 -0.33 0.23 116.57 120.27 3hwk h LYS 295 Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hwk h LYS 295 Cb 1.16 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 3hwk h LYS 295 CO 0.11 0.19 0.65 0.00 -2.27 0.00 0.00 179.45 178.13 3hwk h ARG 296 N 0.30 1.27 -0.64 1.90 3.08 -1.34 0.11 114.38 119.05 3hwk h ARG 296 Ca 0.16 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3hwk h ARG 296 Cb 0.13 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3hwk h ARG 296 CO -0.16 0.84 0.36 0.00 -1.07 0.00 0.00 179.97 179.94 3hwk h ALA 297 N 1.36 0.82 -0.73 0.04 0.00 -0.94 -1.08 119.26 118.73 3hwk h ALA 297 Ca 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hwk h ALA 297 Cb -0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3hwk h ALA 297 CO -0.08 0.33 0.30 1.25 0.00 0.00 0.00 179.25 181.05 3hwk h LEU 298 N 0.87 1.00 -0.67 0.00 5.85 0.11 -1.26 115.31 121.22 3hwk h LEU 298 Ca 0.23 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3hwk h LEU 298 Cb 0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3hwk h LEU 298 CO -0.04 0.89 0.17 -0.33 -0.34 0.00 0.00 178.44 178.80 3hwk h GLU 299 N 1.04 1.07 -0.32 1.25 5.08 -0.41 0.20 114.58 122.49 3hwk h GLU 299 Ca 0.24 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3hwk h GLU 299 Cb 0.20 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hwk h GLU 299 CO -0.02 0.95 -0.01 0.00 -1.00 0.00 0.00 179.01 178.92 3hwk h ARG 300 N 1.00 0.57 -0.57 2.33 3.08 -1.01 -0.93 114.38 118.84 3hwk h ARG 300 Ca 0.21 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3hwk h ARG 300 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3hwk h ARG 300 CO 0.00 0.71 0.07 0.28 -1.07 0.00 0.00 179.97 179.96 3hwk h VAL 301 N 0.36 1.25 0.00 2.04 2.07 -1.04 -1.86 116.25 119.06 3hwk h VAL 301 Ca 0.09 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 3hwk h VAL 301 Cb 0.47 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hwk h VAL 301 CO 0.02 0.36 -0.33 1.23 0.02 0.00 0.00 177.57 178.88 3hwk h GLY 302 N 1.01 0.00 0.95 2.17 0.00 -0.48 -0.50 103.07 106.22 3hwk h GLY 302 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.33 3hwk h GLY 302 CO 0.01 0.00 -0.66 -0.84 0.00 0.00 0.00 176.54 175.06 3hwk h THR 303 N 0.00 1.36 0.00 4.70 2.02 -0.80 0.12 112.91 120.31 3hwk h THR 303 Ca -0.00 -1.98 -0.14 0.00 0.77 0.00 0.00 66.41 65.06 3hwk h THR 303 Cb 0.69 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 3hwk h THR 303 CO 0.04 0.60 -0.65 0.58 0.37 0.00 0.00 175.52 176.46 3hwk h VAL 304 N 0.16 1.25 0.00 3.16 2.07 -1.12 -3.37 116.25 118.41 3hwk h VAL 304 Ca -0.06 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.04 3hwk h VAL 304 Cb 1.32 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 3hwk h VAL 304 CO 0.13 0.64 -0.27 0.54 0.02 0.00 0.00 177.57 178.63 3hwk n ARG 305 N -3.45 1.38 -3.07 1.57 1.74 -0.22 -5.02 116.66 109.59 3hwk n ARG 305 Ca 0.00 -2.89 -0.05 0.00 -0.77 0.00 0.00 57.85 54.15 3hwk n ARG 305 Cb 0.72 -1.51 0.02 0.00 -1.02 0.00 0.00 32.46 30.68 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 -1.22 -7.27 -0.07 0.55 2.03 -1.17 -4.95 116.55 104.46 3hwk n ASP 306 Ca 0.17 -0.27 0.08 0.00 0.52 0.00 0.00 54.79 55.29 3hwk n ASP 306 Cb 0.68 -5.14 0.11 0.00 -0.72 0.00 0.00 41.12 36.04 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 -1.58 4.35 0.37 0.27 0.00 0.02 -4.79 105.19 103.83 3hwk n GLY 307 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 1.02 -0.41 1.61 5.75 -1.93 -2.05 115.11 119.09 3hwk h GLN 308 Ca 0.00 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.52 3hwk h GLN 308 Cb 0.93 -0.23 -0.09 0.00 1.07 0.00 0.00 27.48 29.15 3hwk h GLN 308 CO 0.00 0.67 -0.29 -0.09 -2.65 0.00 0.00 178.83 176.48 3hwk h ARG 309 N 1.05 -0.20 -0.05 1.69 2.43 -1.96 0.87 114.38 118.21 3hwk h ARG 309 Ca 0.41 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.47 3hwk h ARG 309 Cb 0.24 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hwk h ARG 309 CO -0.16 -0.13 -0.55 -1.49 -1.51 0.00 0.00 179.97 176.12 3hwk h TRP 310 N -0.21 0.18 -0.61 2.20 4.06 -1.77 -1.47 115.95 118.32 3hwk h TRP 310 Ca 0.19 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 3hwk h TRP 310 Cb 0.51 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.61 3hwk h TRP 310 CO -0.51 0.66 0.17 -0.07 -3.56 0.00 0.00 178.44 175.13 3hwk h LEU 311 N 0.11 0.90 -0.13 -4.49 3.38 -0.81 -0.20 115.31 114.07 3hwk h LEU 311 Ca -0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hwk h LEU 311 Cb 1.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3hwk h LEU 311 CO 0.08 0.88 0.06 0.44 0.09 0.00 0.00 178.44 180.00 3hwk h ASP 312 N 0.88 0.17 -0.87 -0.43 3.32 -0.58 -0.37 116.42 118.54 3hwk h ASP 312 Ca 0.19 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3hwk h ASP 312 Cb 0.32 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3hwk h ASP 312 CO -0.00 0.24 0.58 0.40 -1.72 0.00 0.00 179.24 178.73 3hwk h ILE 313 N 0.08 1.21 0.46 0.35 2.04 -1.18 -1.84 117.51 118.64 3hwk h ILE 313 Ca 0.04 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3hwk h ILE 313 Cb 0.12 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 3hwk h ILE 313 CO -0.01 0.21 -0.41 0.22 0.00 0.00 0.00 178.15 178.17 3hwk h TYR 314 N 1.16 -1.13 -0.30 1.37 5.03 -0.62 -1.55 116.97 120.93 3hwk h TYR 314 Ca 0.32 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.71 3hwk h TYR 314 Cb -0.11 0.43 -0.08 0.00 1.55 0.00 0.00 36.73 38.52 3hwk h TYR 314 CO -0.00 -0.56 -0.29 1.96 -1.32 0.00 0.00 178.16 177.95 3hwk h GLN 315 N -0.85 -0.26 0.45 1.82 1.08 -0.70 -1.27 115.11 115.37 3hwk h GLN 315 Ca -0.06 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3hwk h GLN 315 Cb 0.73 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 3hwk h GLN 315 CO -0.02 -0.17 -0.25 0.28 -0.95 0.00 0.00 178.83 177.72 3hwk h VAL 316 N -0.27 0.49 -0.76 -0.54 2.07 -1.33 -0.88 116.25 115.03 3hwk h VAL 316 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3hwk h VAL 316 Cb 0.51 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3hwk h VAL 316 CO -0.45 0.00 0.50 0.25 0.02 0.00 0.00 177.57 177.89 3hwk h LEU 317 N -0.65 0.80 -0.20 2.57 5.85 -1.09 0.34 115.31 122.92 3hwk h LEU 317 Ca -0.06 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hwk h LEU 317 Cb 0.52 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hwk h LEU 317 CO 0.07 0.55 -0.02 0.00 -0.34 0.00 0.00 178.44 178.70 3hwk h ALA 318 N 1.56 0.28 -0.46 1.25 0.00 -0.99 -1.84 119.26 119.05 3hwk h ALA 318 Ca 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 318 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hwk h ALA 318 CO -0.09 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.31 3hwk h ALA 319 N 0.77 0.61 -0.24 0.00 0.00 -0.50 -0.51 119.26 119.38 3hwk h ALA 319 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3hwk h ALA 319 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hwk h ALA 319 CO 0.01 0.28 -0.10 0.93 0.00 0.00 0.00 179.25 180.37 3hwk h GLU 320 N 0.62 0.40 -0.23 0.00 4.39 -1.00 -2.05 114.58 116.71 3hwk h GLU 320 Ca 0.15 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 3hwk h GLU 320 Cb 0.29 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3hwk h GLU 320 CO -0.00 0.51 -0.51 0.52 -1.16 0.00 0.00 179.01 178.37 3hwk h MET 321 N 0.37 0.64 0.00 2.33 2.86 -0.98 -1.75 114.93 118.41 3hwk h MET 321 Ca 0.07 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 57.25 3hwk h MET 321 Cb 0.42 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3hwk h MET 321 CO 0.02 0.99 -0.40 0.00 1.06 0.00 0.00 176.91 178.59 3hwk h ALA 322 N 0.94 1.28 0.01 6.32 0.00 -0.74 -0.96 119.26 126.11 3hwk h ALA 322 Ca 0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hwk h ALA 322 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hwk h ALA 322 CO 0.10 0.50 -0.00 0.77 0.00 0.00 0.00 179.25 180.62 3hwk h SER 323 N 0.00 -0.01 -0.11 0.00 0.02 -1.33 -3.02 113.55 109.10 3hwk h SER 323 Ca -0.00 -0.84 -0.22 0.00 -0.84 0.00 0.00 61.79 59.89 3hwk h SER 323 Cb 0.73 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.29 3hwk h SER 323 CO 0.05 0.87 -0.78 0.00 -1.14 0.00 0.00 176.83 175.84 3hwk h ALA 324 N -0.01 0.25 0.00 3.77 0.00 -1.33 -3.40 119.26 118.54 3hwk h ALA 324 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hwk h ALA 324 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hwk h ALA 324 CO 0.00 0.62 -0.81 0.25 0.00 0.00 0.00 179.25 179.31 3hwk n THR 325 N -3.98 0.00 -0.78 0.00 -2.24 -0.42 -5.00 114.28 101.86 3hwk n THR 325 Ca -0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3hwk n THR 325 Cb 0.75 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3hwk n THR 325 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwk n GLY 326 N 2.11 0.50 3.70 3.38 0.00 -0.85 -4.99 105.19 109.04 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 -2.48 4.79 0.26 -0.61 1.01 -1.24 -4.89 121.20 118.03 3hwk s ILE 327 Ca 0.00 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.63 3hwk s ILE 327 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3hwk s ILE 327 CO 0.00 0.07 0.51 -0.76 0.00 0.00 0.00 174.94 174.77 3hwk s LEU 328 N 1.56 4.11 0.58 2.97 1.43 -1.26 -4.12 118.68 123.95 3hwk s LEU 328 Ca 0.50 0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 54.08 3hwk s LEU 328 Cb -0.20 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3hwk s LEU 328 CO 0.23 -0.14 1.26 -2.16 0.23 0.00 0.00 176.35 175.76 3hwk s PRO 329 N -3.37 2.98 0.57 1.29 0.04 -1.26 -3.95 135.00 131.30 3hwk s PRO 329 Ca 0.43 1.96 0.09 0.00 0.04 0.00 0.00 61.00 63.52 3hwk s PRO 329 Cb -0.11 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.50 3hwk s PRO 329 CO 0.28 -1.24 0.73 0.27 0.04 0.00 0.00 177.00 177.08 3hwk n ASN 330 N -1.45 2.20 0.07 6.66 0.23 0.92 -3.96 115.26 119.94 3hwk n ASN 330 Ca 0.13 -2.59 0.03 0.00 -0.53 0.00 0.00 54.58 51.63 3hwk n ASN 330 Cb 0.48 -0.36 0.42 0.00 -2.08 0.00 0.00 39.78 38.24 3hwk n ASN 330 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3hwk h LEU 331 N 0.00 0.34 -2.68 -4.53 5.85 -1.93 -1.63 115.31 110.73 3hwk h LEU 331 Ca -0.28 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hwk h LEU 331 Cb 1.24 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3hwk h LEU 331 CO 0.41 0.35 -0.01 0.44 -0.34 0.00 0.00 178.44 179.30 3hwk h ASP 332 N 0.38 0.00 0.27 1.25 3.32 -1.96 -2.85 116.42 116.83 3hwk h ASP 332 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hwk h ASP 332 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3hwk h ASP 332 CO -0.00 0.01 -0.13 0.15 -1.72 0.00 0.00 179.24 177.54 3hwk h PHE 333 N 0.00 -0.34 0.00 4.55 3.57 -1.47 -2.90 116.94 120.35 3hwk h PHE 333 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3hwk h PHE 333 Cb 0.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3hwk h PHE 333 CO 0.00 0.02 -0.25 -1.00 -2.23 0.00 0.00 178.31 174.85 3hwk h PRO 334 N -0.90 0.00 -0.55 6.41 0.13 -1.71 -3.27 132.00 132.11 3hwk h PRO 334 Ca -0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 3hwk h PRO 334 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 3hwk h PRO 334 CO 0.06 0.25 -0.09 1.15 -0.23 0.00 0.00 178.00 179.14 3hwk h THR 335 N 0.00 1.27 0.17 1.56 2.02 -1.52 -2.88 112.91 113.52 3hwk h THR 335 Ca -0.00 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 65.94 3hwk h THR 335 Cb 0.67 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3hwk h THR 335 CO 0.03 0.44 -0.42 1.23 0.37 0.00 0.00 175.52 177.18 3hwk h GLY 336 N 0.92 -0.87 1.83 2.16 0.00 -1.56 -0.48 103.07 105.06 3hwk h GLY 336 Ca 0.14 0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.87 3hwk h GLY 336 CO 0.05 -0.28 -0.39 -0.56 0.00 0.00 0.00 176.54 175.36 3hwk h PRO 337 N -0.69 0.19 -0.41 4.80 0.13 -1.73 -2.50 132.00 131.79 3hwk h PRO 337 Ca 0.01 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3hwk h PRO 337 Cb 0.69 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3hwk h PRO 337 CO -0.21 0.56 0.27 0.00 -0.23 0.00 0.00 178.00 178.39 3hwk h ALA 338 N 1.44 0.52 -0.82 -0.56 0.00 -1.24 -0.05 119.26 118.54 3hwk h ALA 338 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 338 Cb 0.77 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3hwk h ALA 338 CO 0.06 -0.02 0.38 1.88 0.00 0.00 0.00 179.25 181.55 3hwk h TYR 339 N 0.56 1.20 0.16 0.00 -1.99 -1.04 -0.71 116.97 115.15 3hwk h TYR 339 Ca 0.15 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 3hwk h TYR 339 Cb -0.06 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.30 3hwk h TYR 339 CO -0.05 0.87 -0.11 -0.92 -0.00 0.00 0.00 178.16 177.96 3hwk h TYR 340 N 1.18 -0.29 -0.41 4.88 3.20 -0.99 -2.48 116.97 122.06 3hwk h TYR 340 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3hwk h TYR 340 Cb 0.14 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3hwk h TYR 340 CO 0.02 -0.18 0.11 -0.07 -1.64 0.00 0.00 178.16 176.40 3hwk h LEU 341 N -0.27 0.56 -2.02 2.82 3.38 -0.83 -1.35 115.31 117.60 3hwk h LEU 341 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hwk h LEU 341 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hwk h LEU 341 CO -0.00 0.55 0.00 0.24 0.09 0.00 0.00 178.44 179.32 3hwk h MET 342 N 0.60 0.00 0.00 1.13 2.86 -0.78 -3.46 114.93 115.27 3hwk h MET 342 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3hwk h MET 342 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3hwk h MET 342 CO -0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.37 3hwk n GLY 343 N -0.63 0.95 3.79 8.32 0.00 -0.51 -5.09 105.19 112.02 3hwk n GLY 343 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 2.90 0.22 1.61 0.08 -0.97 -5.01 117.98 114.82 3hwk s PHE 344 Ca 0.00 1.57 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 3hwk s PHE 344 Cb 0.00 -3.13 -0.08 0.00 -0.57 0.00 0.00 43.02 39.24 3hwk s PHE 344 CO 0.00 -1.05 1.06 0.34 -0.10 0.00 0.00 175.22 175.47 3hwk s ASP 345 N -1.95 7.36 0.29 1.36 2.15 -1.26 -4.58 116.67 120.04 3hwk s ASP 345 Ca 0.69 2.10 0.04 0.00 0.43 0.00 0.00 52.55 55.81 3hwk s ASP 345 Cb -0.18 -2.61 0.68 0.00 -0.30 0.00 0.00 42.92 40.50 3hwk s ASP 345 CO 0.22 -0.10 1.76 0.40 -0.17 0.00 0.00 175.17 177.28 3hwk h ILE 346 N 3.41 0.67 0.00 4.11 2.04 -1.95 -0.05 117.51 125.74 3hwk h ILE 346 Ca -0.45 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3hwk h ILE 346 Cb 1.21 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3hwk h ILE 346 CO 0.69 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.97 3hwk h ALA 347 N 1.63 1.00 -0.06 1.87 0.00 -1.95 -2.21 119.26 119.55 3hwk h ALA 347 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3hwk h ALA 347 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hwk h ALA 347 CO -0.40 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.28 3hwk n SER 348 N -2.31 2.35 -0.36 0.00 7.64 -0.03 -4.41 113.62 116.50 3hwk n SER 348 Ca 0.01 -1.78 -0.01 0.00 1.01 0.00 0.00 58.87 58.10 3hwk n SER 348 Cb 0.18 -0.02 0.13 0.00 -1.01 0.00 0.00 64.21 63.48 3hwk n SER 348 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3hwk h PHE 349 N 3.60 1.20 0.03 1.43 -1.00 -1.44 -2.38 116.94 118.38 3hwk h PHE 349 Ca 0.00 0.03 -0.25 0.00 2.81 0.00 0.00 57.97 60.56 3hwk h PHE 349 Cb 0.77 -0.40 0.02 0.00 3.61 0.00 0.00 35.95 39.95 3hwk h PHE 349 CO 0.02 0.70 -1.00 1.15 -1.61 0.00 0.00 178.31 177.57 3hwk h THR 350 N 1.25 1.31 -0.71 -1.55 2.02 -1.82 -2.08 112.91 111.32 3hwk h THR 350 Ca 0.38 -2.27 0.17 0.00 0.77 0.00 0.00 66.41 65.46 3hwk h THR 350 Cb -0.02 2.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 3hwk h THR 350 CO -0.12 0.69 0.49 -0.65 0.37 0.00 0.00 175.52 176.30 3hwk h PRO 351 N 0.26 0.24 -0.24 6.66 0.11 -1.83 0.79 132.00 137.99 3hwk h PRO 351 Ca -0.13 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.78 3hwk h PRO 351 Cb 1.68 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.73 3hwk h PRO 351 CO 0.20 0.16 -0.55 0.82 -0.21 0.00 0.00 178.00 178.42 3hwk h ILE 352 N 0.25 1.29 -0.49 4.15 2.04 -1.20 -1.39 117.51 122.16 3hwk h ILE 352 Ca 0.35 -1.74 0.09 0.00 1.00 0.00 0.00 64.86 64.56 3hwk h ILE 352 Cb 1.00 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.76 3hwk h ILE 352 CO -0.08 0.56 0.02 0.15 0.00 0.00 0.00 178.15 178.80 3hwk h PHE 353 N 0.55 0.01 -0.53 1.37 3.04 -0.55 -2.52 116.94 118.31 3hwk h PHE 353 Ca 0.00 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.09 3hwk h PHE 353 Cb 1.16 0.07 -0.09 0.00 2.56 0.00 0.00 35.95 39.66 3hwk h PHE 353 CO 0.08 -0.09 0.01 0.28 -2.02 0.00 0.00 178.31 176.57 3hwk h VAL 354 N 0.14 0.58 -1.02 1.41 2.07 -0.47 -0.34 116.25 118.62 3hwk h VAL 354 Ca 0.25 -0.04 0.26 0.00 0.82 0.00 0.00 66.70 67.99 3hwk h VAL 354 Cb 0.37 0.45 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 3hwk h VAL 354 CO -0.40 0.02 0.61 0.24 0.02 0.00 0.00 177.57 178.07 3hwk h MET 355 N 0.13 0.49 0.03 1.57 2.86 -0.82 -1.22 114.93 117.97 3hwk h MET 355 Ca 0.27 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.77 3hwk h MET 355 Cb 0.42 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3hwk h MET 355 CO -0.44 0.32 -0.57 1.03 1.06 0.00 0.00 176.91 178.31 3hwk h SER 356 N 0.50 0.09 1.00 1.22 0.87 -1.19 -3.39 113.55 112.65 3hwk h SER 356 Ca 0.65 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3hwk h SER 356 Cb 1.37 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3hwk h SER 356 CO -0.45 1.24 0.00 -0.09 -0.53 0.00 0.00 176.83 177.00 3hwk h ARG 357 N -0.86 0.00 -1.12 2.24 9.65 -0.76 -2.76 114.38 120.76 3hwk h ARG 357 Ca -0.14 0.00 0.32 0.00 -1.10 0.00 0.00 59.98 59.06 3hwk h ARG 357 Cb 1.23 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.75 3hwk h ARG 357 CO -0.04 0.00 0.78 0.97 2.80 0.00 0.00 179.97 184.49 3hwk h ILE 358 N 0.00 0.45 0.36 1.20 6.09 -1.42 0.15 117.51 124.33 3hwk h ILE 358 Ca 0.00 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.44 3hwk h ILE 358 Cb 0.50 0.34 0.00 0.00 0.47 0.00 0.00 36.82 38.13 3hwk h ILE 358 CO 0.00 0.02 -0.17 0.71 -3.07 0.00 0.00 178.15 175.64 3hwk h THR 359 N 0.10 0.39 -0.19 2.19 1.35 -1.69 -1.34 112.91 113.71 3hwk h THR 359 Ca 0.56 -0.71 0.05 0.00 -0.55 0.00 0.00 66.41 65.76 3hwk h THR 359 Cb 2.02 0.62 -0.06 0.00 -1.73 0.00 0.00 68.15 69.00 3hwk h THR 359 CO -0.08 0.09 -0.21 1.23 -0.25 0.00 0.00 175.52 176.29 3hwk h GLY 360 N -1.00 -0.13 -0.26 5.82 0.00 -0.41 -1.36 103.07 105.73 3hwk h GLY 360 Ca -0.05 0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.66 3hwk h GLY 360 CO 0.08 -0.19 -0.20 1.49 0.00 0.00 0.00 176.54 177.73 3hwk h TRP 361 N -0.23 -0.47 0.00 5.60 6.55 -0.77 -1.07 115.95 125.56 3hwk h TRP 361 Ca 0.12 0.06 -0.11 0.00 0.95 0.00 0.00 58.89 59.91 3hwk h TRP 361 Cb 0.41 0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 3hwk h TRP 361 CO -0.34 -0.30 -0.51 1.79 -1.05 0.00 0.00 178.44 178.03 3hwk h THR 362 N -0.05 0.94 -0.50 1.49 1.35 -0.94 -0.40 112.91 114.80 3hwk h THR 362 Ca 0.28 -2.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 3hwk h THR 362 Cb 0.48 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 3hwk h THR 362 CO -0.64 0.50 0.29 0.00 -0.25 0.00 0.00 175.52 175.43 3hwk h ALA 363 N 1.49 0.64 -0.22 6.62 0.00 -0.68 -1.50 119.26 125.61 3hwk h ALA 363 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3hwk h ALA 363 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hwk h ALA 363 CO 0.07 0.14 -0.39 0.45 0.00 0.00 0.00 179.25 179.52 3hwk h HIS 364 N 0.67 0.81 -0.32 0.00 -0.00 -0.76 -1.96 115.15 113.58 3hwk h HIS 364 Ca 0.18 -0.28 0.07 0.00 -0.00 0.00 0.00 60.37 60.33 3hwk h HIS 364 Cb 0.01 -0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 27.20 3hwk h HIS 364 CO -0.02 1.04 -0.11 0.82 -0.00 0.00 0.00 177.93 179.66 3hwk h ILE 365 N 0.35 0.62 -0.72 2.45 2.04 -1.11 0.16 117.51 121.29 3hwk h ILE 365 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3hwk h ILE 365 Cb 0.98 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3hwk h ILE 365 CO 0.09 0.00 0.43 0.24 0.00 0.00 0.00 178.15 178.91 3hwk h MET 366 N -0.04 0.98 -0.03 2.37 2.86 -1.22 -0.41 114.93 119.45 3hwk h MET 366 Ca 0.16 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3hwk h MET 366 Cb 0.28 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3hwk h MET 366 CO -0.35 0.71 0.02 1.49 1.06 0.00 0.00 176.91 179.83 3hwk h GLU 367 N 0.99 0.04 -0.36 1.72 4.81 -1.00 -2.24 114.58 118.54 3hwk h GLU 367 Ca 0.26 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 3hwk h GLU 367 Cb -0.02 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3hwk h GLU 367 CO -0.05 0.09 0.13 0.37 -0.73 0.00 0.00 179.01 178.83 3hwk h GLN 368 N -0.02 0.28 -0.75 1.92 5.75 -0.52 -1.96 115.11 119.80 3hwk h GLN 368 Ca 0.01 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hwk h GLN 368 Cb 0.06 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 3hwk h GLN 368 CO -0.00 0.18 0.47 0.00 -2.65 0.00 0.00 178.83 176.84 3hwk h ALA 369 N 1.23 1.42 0.00 3.38 0.00 -0.96 -2.31 119.26 122.02 3hwk h ALA 369 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hwk h ALA 369 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hwk h ALA 369 CO -0.16 0.52 -0.33 1.79 0.00 0.00 0.00 179.25 181.07 3hwk h THR 370 N 1.03 0.00 -2.09 0.00 1.35 -1.03 -3.33 112.91 108.83 3hwk h THR 370 Ca 0.27 -0.56 -0.55 0.00 -0.55 0.00 0.00 66.41 65.02 3hwk h THR 370 Cb -0.08 1.35 -0.40 0.00 -1.73 0.00 0.00 68.15 67.29 3hwk h THR 370 CO -0.06 0.00 -0.94 0.00 -0.25 0.00 0.00 175.52 174.27 3hwk n ALA 371 N -1.86 3.06 -2.35 6.62 0.00 -0.77 -5.11 120.51 120.11 3hwk n ALA 371 Ca 0.04 -3.93 -0.35 0.00 0.00 0.00 0.00 53.44 49.20 3hwk n ALA 371 Cb 0.45 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.26 6.84 -0.06 0.00 2.47 -0.88 -4.80 114.94 116.25 3hwk s ASN 372 Ca 0.40 1.09 -0.06 0.00 0.42 0.00 0.00 52.86 54.71 3hwk s ASN 372 Cb 0.24 -2.29 0.01 0.00 -1.45 0.00 0.00 41.25 37.76 3hwk s ASN 372 CO -0.09 0.11 0.17 0.00 -3.72 0.00 0.00 177.10 173.56 3hwk s ALA 373 N -1.46 -0.41 0.14 1.71 0.00 -1.26 -5.10 121.76 115.38 3hwk s ALA 373 Ca 0.38 0.40 -0.34 0.00 0.00 0.00 0.00 51.96 52.40 3hwk s ALA 373 Cb -0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 23.12 22.61 3hwk s ALA 373 CO 0.19 -0.10 1.64 -0.11 0.00 0.00 0.00 175.76 177.38 3hwk n LEU 374 N 2.79 3.27 -4.50 0.00 7.94 -1.25 -4.78 117.00 120.47 3hwk n LEU 374 Ca -0.14 1.06 -0.43 0.00 -1.11 0.00 0.00 56.01 55.39 3hwk n LEU 374 Cb 0.58 -1.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 3hwk n LEU 374 CO 0.21 -0.19 0.43 -0.63 -1.11 0.00 0.00 177.39 176.10 3hwk s ILE 375 N 1.39 4.76 -0.41 1.96 1.01 -1.26 -4.96 121.20 123.69 3hwk s ILE 375 Ca 0.80 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.54 3hwk s ILE 375 Cb -0.65 -4.28 0.17 0.00 0.01 0.00 0.00 42.46 37.71 3hwk s ILE 375 CO 0.39 -0.72 0.52 -0.60 0.00 0.00 0.00 174.94 174.53 3hwk s ARG 376 N 2.97 0.79 0.26 2.79 3.00 -1.26 -5.04 118.95 122.46 3hwk s ARG 376 Ca 0.23 -0.75 -0.03 0.00 -1.00 0.00 0.00 55.73 54.18 3hwk s ARG 376 Cb -0.15 -0.36 0.06 0.00 0.00 0.00 0.00 34.95 34.50 3hwk s ARG 376 CO 0.18 -1.23 0.35 -0.35 0.00 0.00 0.00 175.30 174.26 3hwk n PRO 377 N 4.03 -0.03 -4.44 5.12 -0.04 -1.26 -5.11 135.00 133.28 3hwk n PRO 377 Ca 0.13 -0.71 -0.24 0.00 -0.04 0.00 0.00 63.50 62.64 3hwk n PRO 377 Cb 0.51 -0.31 -0.10 0.00 -0.04 0.00 0.00 33.50 33.56 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 2.68 0.17 1.53 1.43 -1.26 -5.15 118.68 118.08 3hwk s LEU 378 Ca 0.21 -0.95 0.11 0.00 -1.03 0.00 0.00 54.13 52.47 3hwk s LEU 378 Cb -0.01 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3hwk s LEU 378 CO 0.15 0.04 -0.24 -0.94 0.23 0.00 0.00 176.35 175.59 3hwk s SER 379 N -3.47 3.24 0.17 2.29 1.04 -1.26 -5.09 113.70 110.63 3hwk s SER 379 Ca 0.30 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 3hwk s SER 379 Cb -0.05 -0.23 -0.07 0.00 0.10 0.00 0.00 66.02 65.77 3hwk s SER 379 CO 0.15 0.11 0.51 0.00 0.98 0.00 0.00 173.24 175.00 3hwk s ALA 380 N -1.56 3.61 -0.10 5.32 0.00 -1.26 -5.10 121.76 122.67 3hwk s ALA 380 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3hwk s ALA 380 Cb -0.08 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3hwk s ALA 380 CO 0.08 0.51 0.01 -0.47 0.00 0.00 0.00 175.76 175.90 3hwk s TYR 381 N -1.61 3.20 -0.02 0.00 5.04 -1.26 -4.98 117.35 117.71 3hwk s TYR 381 Ca 0.41 0.19 0.16 0.00 -2.44 0.00 0.00 57.07 55.39 3hwk s TYR 381 Cb -0.13 -1.83 0.29 0.00 0.35 0.00 0.00 41.96 40.64 3hwk s TYR 381 CO 0.20 0.45 1.12 0.00 -1.34 0.00 0.00 175.55 175.98 3hwk n GLY 383 N 0.12 2.38 3.71 0.00 0.00 -1.26 -5.05 105.19 105.08 3hwk n GLY 383 Ca 0.06 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3hwk n GLY 383 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hwk n HIS 384 N -0.17 2.66 -0.90 1.61 8.25 -1.26 -4.99 115.22 120.42 3hwk n HIS 384 Ca 0.00 0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 57.17 3hwk n HIS 384 Cb 0.00 -2.67 0.15 0.00 1.12 0.00 0.00 29.99 28.59 3hwk n HIS 384 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3hwk s GLU 385 N 1.52 1.33 0.14 -0.41 1.03 -1.26 -4.87 118.70 116.18 3hwk s GLU 385 Ca 0.77 1.64 -0.34 0.00 0.03 0.00 0.00 54.97 57.08 3hwk s GLU 385 Cb -0.53 -1.75 -0.17 0.00 -0.80 0.00 0.00 34.13 30.88 3hwk s GLU 385 CO 0.34 -2.42 1.07 0.94 -1.33 0.00 0.00 175.26 173.86 3hwk n GLN 386 N -3.78 0.80 -3.88 -4.83 7.27 -1.26 -4.98 117.38 106.71 3hwk n GLN 386 Ca 0.13 0.28 -0.11 0.00 0.07 0.00 0.00 57.00 57.37 3hwk n GLN 386 Cb 0.51 -1.72 -0.10 0.00 2.41 0.00 0.00 30.24 31.33 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 -0.36 0.40 0.32 3.69 1.70 -1.26 -5.15 118.95 118.30 3hwk s ARG 387 Ca 0.76 -0.34 -0.24 0.00 -0.47 0.00 0.00 55.73 55.44 3hwk s ARG 387 Cb -0.94 0.17 -0.10 0.00 -0.57 0.00 0.00 34.95 33.51 3hwk s ARG 387 CO 0.53 -0.09 0.89 0.08 -1.08 0.00 0.00 175.30 175.64 3hwk s VAL 388 N -1.16 4.32 0.05 4.99 1.01 -1.26 -5.00 120.40 123.34 3hwk s VAL 388 Ca -0.13 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 3hwk s VAL 388 Cb -0.07 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 3hwk s VAL 388 CO 0.01 0.08 1.74 -0.22 0.00 0.00 0.00 175.10 176.71 3hwk s LEU 389 N -2.22 4.37 0.00 3.92 2.96 -1.26 -5.30 118.68 121.15 3hwk s LEU 389 Ca 0.50 2.51 0.29 0.00 -0.22 0.00 0.00 54.13 57.21 3hwk s LEU 389 Cb -0.17 -3.55 1.72 0.00 0.50 0.00 0.00 46.19 44.70 3hwk s LEU 389 CO 0.21 -0.94 2.06 -0.81 -1.32 0.00 0.00 176.35 175.55