#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha1 s PRO 5 N 0.00 3.68 -0.01 0.00 0.04 -1.26 -4.86 135.00 132.59 3ha1 s PRO 5 Ca 0.00 0.19 -0.09 0.00 0.04 0.00 0.00 61.00 61.14 3ha1 s PRO 5 Cb 0.00 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 32.02 3ha1 s PRO 5 CO 0.00 0.09 0.19 -0.59 0.04 0.00 0.00 177.00 176.73 3ha1 s PHE 6 N -2.24 -0.05 -0.11 0.56 -0.71 -1.26 -4.80 117.98 109.37 3ha1 s PHE 6 Ca 0.47 0.05 0.14 0.00 -1.04 0.00 0.00 56.93 56.55 3ha1 s PHE 6 Cb -0.10 0.00 0.30 0.00 -1.21 0.00 0.00 43.02 42.01 3ha1 s PHE 6 CO 0.31 -0.29 1.15 0.66 -1.34 0.00 0.00 175.22 175.71 3ha1 n TYR 7 N 1.58 0.00 -4.07 3.49 4.01 -1.26 -4.95 117.16 115.96 3ha1 n TYR 7 Ca -0.21 -0.91 -0.15 0.00 -0.16 0.00 0.00 57.90 56.47 3ha1 n TYR 7 Cb 0.56 -0.16 -0.14 0.00 -0.31 0.00 0.00 39.34 39.28 3ha1 n TYR 7 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3ha1 s ARG 8 N -2.04 0.30 -1.35 -0.72 3.52 -1.26 -5.06 118.95 112.34 3ha1 s ARG 8 Ca 0.29 -0.15 -0.08 0.00 -0.13 0.00 0.00 55.73 55.66 3ha1 s ARG 8 Cb 0.28 -0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 3ha1 s ARG 8 CO -0.04 0.08 2.77 -0.25 -0.81 0.00 0.00 175.30 177.04 3ha1 n ASP 9 N 2.94 8.17 -3.80 -2.12 8.00 -1.26 -4.78 116.55 123.70 3ha1 n ASP 9 Ca -0.13 -2.83 -0.18 0.00 0.71 0.00 0.00 54.79 52.36 3ha1 n ASP 9 Cb 0.59 -1.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.06 3ha1 n ASP 9 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ha1 s THR 10 N 0.54 0.19 0.04 -3.53 2.01 -1.26 -2.76 115.64 110.87 3ha1 s THR 10 Ca 0.63 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.54 3ha1 s THR 10 Cb 0.20 -0.31 0.05 0.00 0.01 0.00 0.00 72.50 72.45 3ha1 s THR 10 CO -0.08 0.17 0.49 -1.66 -0.69 0.00 0.00 174.62 172.85 3ha1 s TRP 11 N 1.29 -0.38 -0.00 4.92 -2.14 -0.32 -4.29 118.94 118.02 3ha1 s TRP 11 Ca -0.06 0.43 -0.15 0.00 2.66 0.00 0.00 56.10 58.98 3ha1 s TRP 11 Cb -0.13 0.30 -0.06 0.00 -3.10 0.00 0.00 33.47 30.48 3ha1 s TRP 11 CO -0.02 -0.61 0.42 0.08 -2.66 0.00 0.00 176.95 174.16 3ha1 s VAL 12 N -2.34 5.01 -0.19 -0.66 1.01 0.08 -1.18 120.40 122.12 3ha1 s VAL 12 Ca -0.06 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 3ha1 s VAL 12 Cb -0.01 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3ha1 s VAL 12 CO -0.01 0.56 -0.04 -0.70 0.00 0.00 0.00 175.10 174.91 3ha1 s GLU 13 N -0.98 3.50 -0.21 2.72 2.12 0.84 -0.44 118.70 126.25 3ha1 s GLU 13 Ca 0.24 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 3ha1 s GLU 13 Cb -0.17 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 3ha1 s GLU 13 CO 0.14 -0.01 -0.06 0.08 -0.54 0.00 0.00 175.26 174.87 3ha1 s VAL 14 N 1.01 3.30 -0.52 3.70 1.01 0.43 -0.63 120.40 128.70 3ha1 s VAL 14 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3ha1 s VAL 14 Cb -0.15 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.81 3ha1 s VAL 14 CO 0.01 0.44 0.61 -0.62 0.00 0.00 0.00 175.10 175.53 3ha1 s ASP 15 N 1.39 6.21 0.50 3.32 -1.08 0.91 -1.05 116.67 126.86 3ha1 s ASP 15 Ca 0.05 -1.04 0.25 0.00 -0.52 0.00 0.00 52.55 51.28 3ha1 s ASP 15 Cb -0.14 -2.28 1.31 0.00 -1.46 0.00 0.00 42.92 40.35 3ha1 s ASP 15 CO -0.03 -0.90 2.03 -0.07 0.52 0.00 0.00 175.17 176.72 3ha1 h LEU 16 N 9.63 0.00 -0.79 -1.34 3.38 -0.86 -2.47 115.31 122.86 3ha1 h LEU 16 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3ha1 h LEU 16 Cb 1.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3ha1 h LEU 16 CO 0.98 0.15 0.48 0.44 0.09 0.00 0.00 178.44 180.58 3ha1 h ASP 17 N 0.00 0.95 -0.35 -0.43 3.32 -1.91 -1.53 116.42 116.46 3ha1 h ASP 17 Ca -0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3ha1 h ASP 17 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3ha1 h ASP 17 CO 0.02 0.73 0.17 0.00 -1.72 0.00 0.00 179.24 178.44 3ha1 h ALA 18 N 1.26 0.45 -0.80 3.45 0.00 -1.77 0.97 119.26 122.82 3ha1 h ALA 18 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ha1 h ALA 18 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3ha1 h ALA 18 CO -0.05 0.01 0.37 0.82 0.00 0.00 0.00 179.25 180.40 3ha1 h ILE 19 N 0.43 1.25 -0.60 0.00 2.04 -1.45 -0.50 117.51 118.68 3ha1 h ILE 19 Ca 0.12 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3ha1 h ILE 19 Cb 0.11 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3ha1 h ILE 19 CO -0.02 0.31 0.20 0.22 0.00 0.00 0.00 178.15 178.86 3ha1 h TYR 20 N 1.14 0.95 -0.49 1.37 5.03 -0.83 -2.24 116.97 121.90 3ha1 h TYR 20 Ca 0.27 -0.09 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 3ha1 h TYR 20 Cb 0.14 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 3ha1 h TYR 20 CO 0.01 0.78 -0.04 -0.91 -1.32 0.00 0.00 178.16 176.68 3ha1 h ASN 21 N 0.84 0.88 -0.59 -2.11 2.35 -0.41 0.23 115.58 116.78 3ha1 h ASN 21 Ca 0.19 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3ha1 h ASN 21 Cb 0.27 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3ha1 h ASN 21 CO -0.01 1.00 0.32 0.78 -1.65 0.00 0.00 177.43 177.87 3ha1 h ASN 22 N 0.74 0.73 -0.39 5.81 2.35 -1.03 -0.68 115.58 123.12 3ha1 h ASN 22 Ca 0.13 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3ha1 h ASN 22 Cb 0.57 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3ha1 h ASN 22 CO 0.03 0.61 -0.18 0.58 -1.65 0.00 0.00 177.43 176.83 3ha1 h VAL 23 N 0.79 1.28 -0.54 2.81 2.07 -1.26 -1.33 116.25 120.09 3ha1 h VAL 23 Ca 0.21 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3ha1 h VAL 23 Cb 0.04 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3ha1 h VAL 23 CO -0.03 0.44 0.29 0.74 0.02 0.00 0.00 177.57 179.02 3ha1 h THR 24 N 0.61 1.18 -0.11 2.57 2.02 -0.79 0.48 112.91 118.89 3ha1 h THR 24 Ca 0.09 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3ha1 h THR 24 Cb 0.73 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3ha1 h THR 24 CO 0.06 0.20 0.03 0.45 0.37 0.00 0.00 175.52 176.62 3ha1 h HIS 25 N 0.72 0.17 -0.16 3.16 -0.00 -0.91 0.12 115.15 118.25 3ha1 h HIS 25 Ca 0.19 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.59 3ha1 h HIS 25 Cb 0.06 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.36 3ha1 h HIS 25 CO -0.01 0.32 -0.23 0.82 -0.00 0.00 0.00 177.93 178.83 3ha1 h ILE 26 N -0.02 0.44 -0.90 2.45 2.04 -1.13 -0.01 117.51 120.38 3ha1 h ILE 26 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3ha1 h ILE 26 Cb 0.23 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 3ha1 h ILE 26 CO -0.00 0.00 0.56 0.50 0.00 0.00 0.00 178.15 179.21 3ha1 h LYS 27 N -0.27 0.96 -0.67 2.37 3.64 -0.55 -1.02 116.57 121.03 3ha1 h LYS 27 Ca 0.11 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3ha1 h LYS 27 Cb 0.44 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3ha1 h LYS 27 CO -0.32 0.63 0.29 0.93 -2.27 0.00 0.00 179.45 178.72 3ha1 h GLU 28 N 0.98 0.96 -0.11 1.90 5.08 -0.56 -3.23 114.58 119.60 3ha1 h GLU 28 Ca 0.40 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 3ha1 h GLU 28 Cb 0.23 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ha1 h GLU 28 CO -0.19 0.76 -0.70 0.35 -1.00 0.00 0.00 179.01 178.22 3ha1 h PHE 29 N 0.95 0.64 -3.16 4.33 3.57 0.21 -3.46 116.94 120.01 3ha1 h PHE 29 Ca 0.23 -0.27 -0.46 0.00 3.53 0.00 0.00 57.97 61.00 3ha1 h PHE 29 Cb 0.14 -0.10 0.05 0.00 2.79 0.00 0.00 35.95 38.82 3ha1 h PHE 29 CO 0.01 1.03 0.06 0.96 -2.23 0.00 0.00 178.31 178.15 3ha1 s ILE 30 N -3.70 3.29 0.63 1.41 -4.36 -0.52 -5.03 121.20 112.91 3ha1 s ILE 30 Ca -0.07 -0.33 -0.18 0.00 -0.26 0.00 0.00 60.65 59.81 3ha1 s ILE 30 Cb 0.10 -3.28 -0.02 0.00 1.25 0.00 0.00 42.46 40.52 3ha1 s ILE 30 CO 0.85 -0.24 1.28 -2.84 0.24 0.00 0.00 174.94 174.23 3ha1 s PRO 31 N -4.86 2.68 0.51 0.37 0.02 -1.26 -4.88 135.00 127.59 3ha1 s PRO 31 Ca 0.54 2.03 0.33 0.00 0.02 0.00 0.00 61.00 63.93 3ha1 s PRO 31 Cb -0.10 -1.89 1.43 0.00 0.02 0.00 0.00 34.50 33.95 3ha1 s PRO 31 CO 0.42 -1.49 1.98 0.66 -0.33 0.00 0.00 177.00 178.24 3ha1 h SER 32 N 0.69 0.00 -0.45 2.53 4.64 -1.94 -2.12 113.55 116.90 3ha1 h SER 32 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3ha1 h SER 32 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3ha1 h SER 32 CO 0.54 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.60 3ha1 n ASP 33 N -2.93 2.79 -4.54 4.97 5.75 -1.26 -4.88 116.55 116.44 3ha1 n ASP 33 Ca 0.00 -2.10 -0.34 0.00 -0.01 0.00 0.00 54.79 52.33 3ha1 n ASP 33 Cb 0.26 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 39.87 3ha1 n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ha1 s VAL 34 N -1.50 4.31 0.50 2.12 1.01 -0.80 -4.88 120.40 121.16 3ha1 s VAL 34 Ca 0.32 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 3ha1 s VAL 34 Cb 0.18 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3ha1 s VAL 34 CO 0.19 0.46 0.85 -1.61 0.00 0.00 0.00 175.10 174.99 3ha1 s GLU 35 N 0.57 3.60 -0.16 2.72 2.02 -0.66 -4.90 118.70 121.90 3ha1 s GLU 35 Ca 0.00 0.38 -0.02 0.00 0.02 0.00 0.00 54.97 55.36 3ha1 s GLU 35 Cb -0.14 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 3ha1 s GLU 35 CO 0.02 -0.27 -0.09 0.42 0.02 0.00 0.00 175.26 175.36 3ha1 s ILE 36 N -2.79 3.28 -0.12 -1.63 1.01 -1.26 -1.13 121.20 118.56 3ha1 s ILE 36 Ca 0.50 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 3ha1 s ILE 36 Cb -0.10 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3ha1 s ILE 36 CO 0.45 0.50 0.81 -0.36 0.00 0.00 0.00 174.94 176.34 3ha1 s PHE 37 N 0.63 3.49 -0.25 3.97 0.08 -0.11 -2.18 117.98 123.61 3ha1 s PHE 37 Ca -0.05 1.30 -0.25 0.00 0.12 0.00 0.00 56.93 58.05 3ha1 s PHE 37 Cb -0.15 -2.97 -0.00 0.00 -0.57 0.00 0.00 43.02 39.33 3ha1 s PHE 37 CO 0.03 -0.12 0.83 0.00 -0.10 0.00 0.00 175.22 175.86 3ha1 s ALA 38 N 1.64 3.64 -0.40 5.36 0.00 -0.41 -0.94 121.76 130.65 3ha1 s ALA 38 Ca 0.40 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 3ha1 s ALA 38 Cb -0.17 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3ha1 s ALA 38 CO 0.16 -0.96 0.51 0.08 0.00 0.00 0.00 175.76 175.55 3ha1 s VAL 39 N 2.88 5.00 -0.46 0.00 1.01 -0.08 -1.97 120.40 126.77 3ha1 s VAL 39 Ca 0.35 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 3ha1 s VAL 39 Cb -0.15 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.29 3ha1 s VAL 39 CO 0.08 -0.39 0.33 0.68 0.00 0.00 0.00 175.10 175.80 3ha1 s VAL 40 N 2.40 4.28 -1.58 2.92 -7.23 0.20 -4.64 120.40 116.75 3ha1 s VAL 40 Ca 0.17 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 3ha1 s VAL 40 Cb -0.16 -3.76 0.11 0.00 0.56 0.00 0.00 36.38 33.13 3ha1 s VAL 40 CO 0.15 -0.71 0.27 0.61 -0.31 0.00 0.00 175.10 175.10 3ha1 n GLY 42 N 4.93 -0.23 3.63 2.32 0.00 -1.26 0.20 105.19 114.78 3ha1 n GLY 42 Ca -0.09 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3ha1 n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ha1 n ASN 43 N -2.43 -2.22 -4.05 1.61 5.15 -1.26 -1.39 115.26 110.66 3ha1 n ASN 43 Ca -0.11 -0.82 -0.46 0.00 -0.60 0.00 0.00 54.58 52.60 3ha1 n ASN 43 Cb 0.54 -4.18 0.02 0.00 -0.53 0.00 0.00 39.78 35.63 3ha1 n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ha1 n ALA 44 N -4.15 -2.62 -3.93 5.20 0.00 0.55 -0.94 120.51 114.62 3ha1 n ALA 44 Ca -0.25 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.30 3ha1 n ALA 44 Cb 0.66 -2.66 -0.01 0.00 0.00 0.00 0.00 19.45 17.44 3ha1 n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ha1 n TYR 45 N -4.97 -1.82 -0.86 0.00 4.02 -0.49 -0.33 117.16 112.71 3ha1 n TYR 45 Ca -0.11 0.71 0.00 0.00 -0.01 0.00 0.00 57.90 58.49 3ha1 n TYR 45 Cb 0.57 -3.01 0.00 0.00 -0.02 0.00 0.00 39.34 36.87 3ha1 n TYR 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ha1 n GLY 46 N -1.34 0.83 0.02 2.72 0.00 -0.14 -3.82 105.19 103.44 3ha1 n GLY 46 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3ha1 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ha1 n HIS 47 N -2.25 0.12 -0.06 1.61 8.25 0.56 -4.94 115.22 118.51 3ha1 n HIS 47 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3ha1 n HIS 47 Cb 0.00 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.81 3ha1 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ha1 n ASP 48 N -1.69 -0.17 -0.28 0.41 9.92 -0.12 -4.76 116.55 119.87 3ha1 n ASP 48 Ca 0.04 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.23 3ha1 n ASP 48 Cb 0.37 -0.09 -0.07 0.00 -0.64 0.00 0.00 41.12 40.70 3ha1 n ASP 48 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ha1 n TYR 49 N 2.74 -0.29 -0.05 1.24 4.01 -1.25 -3.20 117.16 120.35 3ha1 n TYR 49 Ca 0.00 0.82 -0.11 0.00 -0.16 0.00 0.00 57.90 58.45 3ha1 n TYR 49 Cb 0.00 -0.55 -0.10 0.00 -0.31 0.00 0.00 39.34 38.38 3ha1 n TYR 49 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ha1 h VAL 50 N 0.00 1.40 -0.82 -0.72 2.07 -1.94 -2.37 116.25 113.87 3ha1 h VAL 50 Ca 0.11 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 3ha1 h VAL 50 Cb 0.27 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3ha1 h VAL 50 CO -0.62 0.46 0.50 -0.65 0.02 0.00 0.00 177.57 177.28 3ha1 h PRO 51 N -0.96 1.12 0.19 1.57 0.11 -1.91 -0.79 132.00 131.33 3ha1 h PRO 51 Ca -0.00 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3ha1 h PRO 51 Cb 0.77 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3ha1 h PRO 51 CO 0.00 0.78 -0.09 0.28 -0.21 0.00 0.00 178.00 178.76 3ha1 h VAL 52 N 1.14 0.87 -0.55 3.15 2.07 -1.62 -0.69 116.25 120.61 3ha1 h VAL 52 Ca 0.30 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.65 3ha1 h VAL 52 Cb -0.05 1.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.65 3ha1 h VAL 52 CO -0.06 0.06 -0.15 0.00 0.02 0.00 0.00 177.57 177.45 3ha1 h ALA 53 N 0.38 0.33 -0.29 1.67 0.00 -1.22 -0.31 119.26 119.82 3ha1 h ALA 53 Ca -0.03 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3ha1 h ALA 53 Cb 0.31 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ha1 h ALA 53 CO 0.04 -0.45 -0.00 0.87 0.00 0.00 0.00 179.25 179.70 3ha1 h LYS 54 N -0.02 0.52 -0.70 0.00 1.57 -0.91 -1.59 116.57 115.45 3ha1 h LYS 54 Ca 0.26 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3ha1 h LYS 54 Cb 0.42 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ha1 h LYS 54 CO -0.57 0.67 0.17 0.82 -0.57 0.00 0.00 179.45 179.97 3ha1 h ILE 55 N 0.31 1.26 -0.36 1.86 1.08 -0.90 -0.51 117.51 120.24 3ha1 h ILE 55 Ca 0.08 -0.96 -0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3ha1 h ILE 55 Cb 0.44 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 3ha1 h ILE 55 CO 0.02 0.37 0.21 0.00 -0.69 0.00 0.00 178.15 178.06 3ha1 h ALA 56 N 1.12 0.46 -0.45 1.87 0.00 -0.92 -0.06 119.26 121.28 3ha1 h ALA 56 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3ha1 h ALA 56 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ha1 h ALA 56 CO 0.00 -0.03 0.26 -0.07 0.00 0.00 0.00 179.25 179.40 3ha1 h LEU 57 N 0.47 0.40 -1.16 0.00 3.38 -1.09 -0.59 115.31 116.72 3ha1 h LEU 57 Ca 0.13 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3ha1 h LEU 57 Cb 0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3ha1 h LEU 57 CO -0.02 0.28 0.58 -0.33 0.09 0.00 0.00 178.44 179.04 3ha1 h GLU 58 N 0.51 1.03 0.00 1.13 5.08 -0.62 -0.66 114.58 121.05 3ha1 h GLU 58 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ha1 h GLU 58 Cb 0.04 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3ha1 h GLU 58 CO -0.10 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 3ha1 n ALA 59 N -2.40 2.43 0.00 3.43 0.00 -0.08 -4.90 120.51 118.99 3ha1 n ALA 59 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ha1 n ALA 59 Cb 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3ha1 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ha1 n GLY 60 N 0.75 0.90 3.76 0.00 0.00 -0.26 -4.33 105.19 106.02 3ha1 n GLY 60 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3ha1 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha1 s ALA 61 N -2.00 3.17 -0.23 4.61 0.00 -0.27 -4.70 121.76 122.35 3ha1 s ALA 61 Ca 0.00 1.34 0.12 0.00 0.00 0.00 0.00 51.96 53.41 3ha1 s ALA 61 Cb 0.00 -3.54 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 3ha1 s ALA 61 CO 0.00 -1.06 0.36 0.25 0.00 0.00 0.00 175.76 175.31 3ha1 n THR 62 N -0.22 0.00 -4.11 0.00 -2.24 -0.93 -4.25 114.28 102.55 3ha1 n THR 62 Ca 0.05 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3ha1 n THR 62 Cb 0.43 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.10 3ha1 n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ha1 s ARG 63 N -2.54 0.77 0.14 -0.78 0.52 -1.08 -4.29 118.95 111.69 3ha1 s ARG 63 Ca -0.01 -1.31 0.06 0.00 -0.52 0.00 0.00 55.73 53.95 3ha1 s ARG 63 Cb 0.08 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 3ha1 s ARG 63 CO 0.49 -0.19 -0.13 -0.51 0.02 0.00 0.00 175.30 174.98 3ha1 s LEU 64 N -2.97 2.44 0.00 2.53 1.43 0.15 -1.28 118.68 120.98 3ha1 s LEU 64 Ca 0.15 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3ha1 s LEU 64 Cb 0.08 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.76 3ha1 s LEU 64 CO -0.05 -0.18 -0.00 0.00 0.23 0.00 0.00 176.35 176.35 3ha1 s ALA 65 N -2.44 0.02 0.05 4.21 0.00 -0.83 -1.17 121.76 121.58 3ha1 s ALA 65 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 3ha1 s ALA 65 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3ha1 s ALA 65 CO 0.03 -0.04 0.05 0.14 0.00 0.00 0.00 175.76 175.93 3ha1 s VAL 66 N -0.38 0.16 0.18 0.00 -7.23 -0.58 -0.63 120.40 111.92 3ha1 s VAL 66 Ca -0.04 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3ha1 s VAL 66 Cb -0.03 -1.09 0.09 0.00 0.56 0.00 0.00 36.38 35.91 3ha1 s VAL 66 CO -0.00 -0.73 1.73 0.00 -0.31 0.00 0.00 175.10 175.78 3ha1 h ALA 67 N 3.48 0.82 -2.86 1.32 0.00 -1.92 0.52 119.26 120.62 3ha1 h ALA 67 Ca -0.33 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3ha1 h ALA 67 Cb 1.17 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3ha1 h ALA 67 CO 0.55 0.46 -0.09 -0.59 0.00 0.00 0.00 179.25 179.58 3ha1 s PHE 68 N -5.49 0.39 0.32 0.00 -0.71 -1.26 -1.88 117.98 109.35 3ha1 s PHE 68 Ca -0.13 -0.76 0.04 0.00 -1.04 0.00 0.00 56.93 55.04 3ha1 s PHE 68 Cb 0.13 0.22 0.55 0.00 -1.21 0.00 0.00 43.02 42.71 3ha1 s PHE 68 CO 0.81 -1.05 1.82 1.25 -1.34 0.00 0.00 175.22 176.71 3ha1 h LEU 69 N 2.22 0.46 -0.95 -1.99 5.85 -1.93 -2.44 115.31 116.52 3ha1 h LEU 69 Ca -0.26 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.36 3ha1 h LEU 69 Cb 1.25 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3ha1 h LEU 69 CO 0.35 0.61 0.63 0.44 -0.34 0.00 0.00 178.44 180.13 3ha1 h ASP 70 N 0.44 1.09 -0.97 1.25 3.32 -1.99 -0.53 116.42 119.03 3ha1 h ASP 70 Ca 0.08 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3ha1 h ASP 70 Cb 0.46 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 3ha1 h ASP 70 CO 0.03 0.78 0.62 -0.33 -1.72 0.00 0.00 179.24 178.62 3ha1 h GLU 71 N 1.28 1.13 -0.06 3.56 5.08 -1.86 -1.78 114.58 121.93 3ha1 h GLU 71 Ca 0.35 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 3ha1 h GLU 71 Cb -0.13 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.86 3ha1 h GLU 71 CO -0.08 0.75 -0.38 0.00 -1.00 0.00 0.00 179.01 178.29 3ha1 h ALA 72 N 1.42 1.26 -0.00 3.43 0.00 -1.13 -2.95 119.26 121.29 3ha1 h ALA 72 Ca 0.40 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3ha1 h ALA 72 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ha1 h ALA 72 CO -0.15 0.53 -0.82 -0.07 0.00 0.00 0.00 179.25 178.73 3ha1 h LEU 73 N 0.10 0.14 -0.47 0.00 3.38 -0.52 -1.81 115.31 116.13 3ha1 h LEU 73 Ca 0.01 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3ha1 h LEU 73 Cb 0.73 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 3ha1 h LEU 73 CO 0.05 0.90 0.03 0.58 0.09 0.00 0.00 178.44 180.10 3ha1 h VAL 74 N 0.06 0.67 0.09 1.22 2.07 -1.19 0.12 116.25 119.28 3ha1 h VAL 74 Ca -0.03 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3ha1 h VAL 74 Cb 1.44 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3ha1 h VAL 74 CO 0.12 0.03 -0.04 -0.07 0.02 0.00 0.00 177.57 177.62 3ha1 h LEU 75 N 0.15 -0.10 -0.87 2.57 3.38 -1.39 -2.56 115.31 116.49 3ha1 h LEU 75 Ca 0.24 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ha1 h LEU 75 Cb 0.34 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3ha1 h LEU 75 CO -0.36 0.01 0.53 0.03 0.09 0.00 0.00 178.44 178.73 3ha1 h ARG 76 N -0.20 1.18 0.00 1.13 2.47 -1.12 -0.53 114.38 117.32 3ha1 h ARG 76 Ca -0.01 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3ha1 h ARG 76 Cb 0.17 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3ha1 h ARG 76 CO 0.02 0.83 0.00 0.00 0.56 0.00 0.00 179.97 181.38 3ha1 h ARG 77 N 1.20 0.00 -0.03 0.04 3.08 -0.76 -1.33 114.38 116.58 3ha1 h ARG 77 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3ha1 h ARG 77 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3ha1 h ARG 77 CO -0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 3ha1 n ALA 78 N -2.06 2.59 0.00 0.04 0.00 -0.22 -4.90 120.51 115.96 3ha1 n ALA 78 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3ha1 n ALA 78 Cb 0.21 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3ha1 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ha1 n GLY 79 N 1.11 0.23 3.73 0.00 0.00 -0.50 -5.05 105.19 104.71 3ha1 n GLY 79 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3ha1 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ha1 s ILE 80 N -2.00 2.69 -0.29 -0.61 1.01 -1.12 -4.94 121.20 115.95 3ha1 s ILE 80 Ca 0.00 0.52 0.05 0.00 0.00 0.00 0.00 60.65 61.22 3ha1 s ILE 80 Cb 0.00 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3ha1 s ILE 80 CO 0.00 0.05 0.28 0.35 0.00 0.00 0.00 174.94 175.62 3ha1 n THR 81 N 3.49 0.00 -1.18 2.92 -2.24 -1.26 -4.36 114.28 111.64 3ha1 n THR 81 Ca 0.12 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 3ha1 n THR 81 Cb 0.39 1.02 0.11 0.00 -2.10 0.00 0.00 70.33 69.75 3ha1 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ha1 n ALA 82 N -0.85 -0.33 -1.68 6.98 0.00 -1.26 -4.92 120.51 118.45 3ha1 n ALA 82 Ca 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3ha1 n ALA 82 Cb 0.08 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.38 3ha1 n ALA 82 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ha1 n PRO 83 N -2.57 1.81 -4.07 0.00 -0.02 -1.26 -4.83 135.00 124.06 3ha1 n PRO 83 Ca 0.13 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 62.02 3ha1 n PRO 83 Cb 0.50 -2.30 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 3ha1 n PRO 83 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ha1 s ILE 84 N -1.20 0.73 -0.16 4.25 1.01 -1.26 -0.67 121.20 123.90 3ha1 s ILE 84 Ca 0.61 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 3ha1 s ILE 84 Cb -0.53 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 3ha1 s ILE 84 CO 0.58 0.29 -0.01 -0.22 0.00 0.00 0.00 174.94 175.58 3ha1 s LEU 85 N 1.34 3.42 -0.22 2.97 2.96 -0.32 -1.29 118.68 127.54 3ha1 s LEU 85 Ca -0.04 -0.06 -0.27 0.00 -0.22 0.00 0.00 54.13 53.55 3ha1 s LEU 85 Cb -0.14 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3ha1 s LEU 85 CO -0.03 0.19 0.95 -0.69 -1.32 0.00 0.00 176.35 175.44 3ha1 s VAL 86 N 0.27 4.76 -0.04 1.68 1.01 -0.21 -1.53 120.40 126.34 3ha1 s VAL 86 Ca -0.01 1.83 0.13 0.00 0.00 0.00 0.00 61.98 63.93 3ha1 s VAL 86 Cb -0.13 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 31.86 3ha1 s VAL 86 CO 0.02 -0.12 0.98 -0.07 0.00 0.00 0.00 175.10 175.91 3ha1 h LEU 87 N 9.21 0.00-10.70 3.92 3.38 -1.05 -2.15 115.31 117.92 3ha1 h LEU 87 Ca -0.22 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.30 3ha1 h LEU 87 Cb 1.08 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.94 3ha1 h LEU 87 CO 0.93 0.80 0.25 -0.83 0.09 0.00 0.00 178.44 179.68 3ha1 s GLY 88 N -4.82 1.74 0.36 0.83 0.00 -0.79 -4.87 107.32 99.78 3ha1 s GLY 88 Ca -0.01 -1.29 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 3ha1 s GLY 88 CO 0.81 -0.71 1.04 2.56 0.00 0.00 0.00 173.10 176.79 3ha1 s PRO 89 N -5.41 4.33 0.00 2.90 0.04 -1.26 -4.54 135.00 131.05 3ha1 s PRO 89 Ca 0.67 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.31 3ha1 s PRO 89 Cb -0.07 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 3ha1 s PRO 89 CO 0.47 0.00 -0.22 -1.12 0.04 0.00 0.00 177.00 176.17 3ha1 s SER 90 N -1.44 2.61 0.56 6.66 0.01 -1.26 -4.93 113.70 115.91 3ha1 s SER 90 Ca 0.54 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.18 3ha1 s SER 90 Cb -0.23 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 3ha1 s SER 90 CO 0.30 0.25 1.10 -2.16 0.41 0.00 0.00 173.24 173.13 3ha1 s PRO 91 N -0.71 3.34 0.53 12.44 0.04 -1.26 -4.94 135.00 144.44 3ha1 s PRO 91 Ca 0.09 1.48 0.23 0.00 0.04 0.00 0.00 61.00 62.83 3ha1 s PRO 91 Cb -0.09 -2.02 1.37 0.00 0.04 0.00 0.00 34.50 33.80 3ha1 s PRO 91 CO -0.00 -0.84 2.05 -1.35 0.04 0.00 0.00 177.00 176.90 3ha1 h PRO 92 N 0.98 0.00 0.00 0.56 0.11 -1.97 -1.89 132.00 129.79 3ha1 h PRO 92 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ha1 h PRO 92 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ha1 h PRO 92 CO 0.57 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.25 3ha1 n ARG 93 N -4.41 0.01 0.00 1.05 1.85 -1.26 -2.14 116.66 111.75 3ha1 n ARG 93 Ca 0.06 0.41 0.13 0.00 -1.00 0.00 0.00 57.85 57.45 3ha1 n ARG 93 Cb 0.44 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 30.95 3ha1 n ARG 93 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ha1 n ASP 94 N -1.47 0.00 -0.22 2.89 8.00 -0.71 -4.47 116.55 120.56 3ha1 n ASP 94 Ca 0.01 0.40 -0.02 0.00 0.71 0.00 0.00 54.79 55.90 3ha1 n ASP 94 Cb 0.04 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 40.73 3ha1 n ASP 94 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3ha1 h ILE 95 N 0.00 0.25 0.25 0.53 6.09 -1.66 -0.31 117.51 122.66 3ha1 h ILE 95 Ca 0.00 0.00 -0.33 0.00 -1.37 0.00 0.00 64.86 63.16 3ha1 h ILE 95 Cb 0.43 0.25 0.04 0.00 0.47 0.00 0.00 36.82 38.01 3ha1 h ILE 95 CO 0.00 0.00 -1.48 0.78 -3.07 0.00 0.00 178.15 174.38 3ha1 h ASN 96 N -0.06 0.83 -0.54 2.19 2.35 -1.87 -2.14 115.58 116.33 3ha1 h ASN 96 Ca 0.30 -0.92 -0.11 0.00 -0.55 0.00 0.00 56.30 55.01 3ha1 h ASN 96 Cb 0.52 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3ha1 h ASN 96 CO -0.70 1.71 -0.08 0.58 -1.65 0.00 0.00 177.43 177.29 3ha1 h VAL 97 N 0.12 1.27 0.18 2.81 2.07 -1.80 0.24 116.25 121.15 3ha1 h VAL 97 Ca -0.26 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3ha1 h VAL 97 Cb 2.15 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3ha1 h VAL 97 CO 0.27 0.44 -0.16 0.00 0.02 0.00 0.00 177.57 178.14 3ha1 h ALA 98 N 0.93 -0.33 -0.29 1.67 0.00 -1.11 -1.79 119.26 118.34 3ha1 h ALA 98 Ca 0.14 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ha1 h ALA 98 Cb 0.64 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3ha1 h ALA 98 CO 0.04 -0.70 -0.34 0.00 0.00 0.00 0.00 179.25 178.25 3ha1 h ALA 99 N 0.43 -0.29 0.00 0.00 0.00 -1.17 -0.31 119.26 117.92 3ha1 h ALA 99 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ha1 h ALA 99 Cb 0.32 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ha1 h ALA 99 CO -0.02 -0.77 0.00 1.05 0.00 0.00 0.00 179.25 179.50 3ha1 h GLU 100 N -0.32 0.00 -0.52 0.00 9.09 -0.40 -2.48 114.58 119.94 3ha1 h GLU 100 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 3ha1 h GLU 100 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3ha1 h GLU 100 CO -0.47 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.68 3ha1 n ASN 101 N -2.68 3.71 -3.79 3.06 3.02 -0.69 -4.98 115.26 112.92 3ha1 n ASN 101 Ca 0.01 -2.18 -0.26 0.00 -0.03 0.00 0.00 54.58 52.12 3ha1 n ASN 101 Cb 0.28 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.08 3ha1 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ha1 n ASP 102 N 0.90 -4.06 -4.45 6.41 2.03 -0.75 -4.99 116.55 111.65 3ha1 n ASP 102 Ca 0.19 -0.74 -0.33 0.00 0.52 0.00 0.00 54.79 54.43 3ha1 n ASP 102 Cb 0.62 -4.17 -0.13 0.00 -0.72 0.00 0.00 41.12 36.72 3ha1 n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ha1 s VAL 103 N -3.40 3.33 0.19 5.18 1.01 -0.20 -4.51 120.40 122.00 3ha1 s VAL 103 Ca 0.46 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3ha1 s VAL 103 Cb -0.23 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 3ha1 s VAL 103 CO 0.81 0.54 0.54 0.00 0.00 0.00 0.00 175.10 176.98 3ha1 s ALA 104 N 0.01 3.58 0.18 5.51 0.00 -0.41 -4.38 121.76 126.24 3ha1 s ALA 104 Ca -0.03 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.81 3ha1 s ALA 104 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3ha1 s ALA 104 CO 0.04 0.49 -0.19 -0.51 0.00 0.00 0.00 175.76 175.59 3ha1 s LEU 105 N -2.48 2.63 -0.03 0.00 1.43 -0.85 -1.04 118.68 118.33 3ha1 s LEU 105 Ca 0.43 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 3ha1 s LEU 105 Cb -0.13 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3ha1 s LEU 105 CO 0.20 0.13 1.15 -0.89 0.23 0.00 0.00 176.35 177.17 3ha1 s THR 106 N -1.58 4.35 -0.03 5.49 2.01 -0.81 -1.07 115.64 124.01 3ha1 s THR 106 Ca 0.21 1.68 -0.00 0.00 0.31 0.00 0.00 61.69 63.89 3ha1 s THR 106 Cb -0.09 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.38 3ha1 s THR 106 CO 0.11 0.04 0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 3ha1 s VAL 107 N 1.83 0.04 0.00 3.82 1.01 -0.49 -4.56 120.40 122.05 3ha1 s VAL 107 Ca 0.55 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3ha1 s VAL 107 Cb -0.24 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3ha1 s VAL 107 CO 0.23 0.12 0.28 2.22 0.00 0.00 0.00 175.10 177.96 3ha1 n PHE 108 N 4.27 0.00 -4.80 5.22 -1.74 -1.26 -4.15 117.46 115.00 3ha1 n PHE 108 Ca -0.25 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.38 3ha1 n PHE 108 Cb 0.50 0.10 -0.16 0.00 1.52 0.00 0.00 39.48 41.44 3ha1 n PHE 108 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 3ha1 s GLN 109 N 0.00 1.85 0.41 3.97 -0.21 -1.26 -4.56 119.66 119.86 3ha1 s GLN 109 Ca 0.00 -0.58 0.09 0.00 0.02 0.00 0.00 55.36 54.89 3ha1 s GLN 109 Cb 0.00 -1.56 0.87 0.00 1.00 0.00 0.00 33.01 33.32 3ha1 s GLN 109 CO 0.00 0.18 2.00 1.57 -2.12 0.00 0.00 175.29 176.92 3ha1 h LYS 110 N 6.47 0.35 -0.64 2.91 2.10 -1.88 -2.39 116.57 123.49 3ha1 h LYS 110 Ca -0.31 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.23 3ha1 h LYS 110 Cb 1.18 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.42 3ha1 h LYS 110 CO 0.48 0.33 0.14 0.93 -2.00 0.00 0.00 179.45 179.33 3ha1 h GLU 111 N 0.35 1.01 -0.52 0.07 3.07 -1.97 0.14 114.58 116.73 3ha1 h GLU 111 Ca 0.09 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 3ha1 h GLU 111 Cb 0.14 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3ha1 h GLU 111 CO -0.00 0.91 0.26 2.35 -1.40 0.00 0.00 179.01 181.12 3ha1 h TRP 112 N 0.96 0.75 0.05 4.33 7.01 -1.85 -1.99 115.95 125.21 3ha1 h TRP 112 Ca 0.20 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 3ha1 h TRP 112 Cb 0.36 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3ha1 h TRP 112 CO 0.02 0.58 -0.03 0.28 -2.79 0.00 0.00 178.44 176.50 3ha1 h VAL 113 N 0.70 1.04 -0.98 2.65 2.07 -1.08 0.14 116.25 120.79 3ha1 h VAL 113 Ca 0.18 -0.29 0.15 0.00 0.82 0.00 0.00 66.70 67.56 3ha1 h VAL 113 Cb 0.10 1.23 -0.16 0.00 -1.52 0.00 0.00 31.29 30.95 3ha1 h VAL 113 CO -0.02 0.07 -0.39 0.47 0.02 0.00 0.00 177.57 177.72 3ha1 n ASP 114 N -5.06 -0.65 -0.07 0.57 8.00 0.42 -1.11 116.55 118.65 3ha1 n ASP 114 Ca -0.08 1.71 -0.14 0.00 0.71 0.00 0.00 54.79 56.99 3ha1 n ASP 114 Cb 0.11 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 3ha1 n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ha1 h GLU 115 N 0.00 0.54 -0.69 -1.24 4.39 -0.90 -2.98 114.58 113.70 3ha1 h GLU 115 Ca 0.33 -0.31 0.12 0.00 0.34 0.00 0.00 59.36 59.84 3ha1 h GLU 115 Cb 0.58 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 3ha1 h GLU 115 CO -0.97 0.90 0.26 0.00 -1.16 0.00 0.00 179.01 178.05 3ha1 h ALA 116 N 0.63 0.93 -0.82 3.43 0.00 -0.29 -0.11 119.26 123.03 3ha1 h ALA 116 Ca 0.02 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3ha1 h ALA 116 Cb 0.83 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3ha1 h ALA 116 CO 0.06 -0.20 0.44 0.82 0.00 0.00 0.00 179.25 180.37 3ha1 h ILE 117 N 0.42 0.81 -0.39 0.00 2.04 -1.09 0.21 117.51 119.51 3ha1 h ILE 117 Ca 0.37 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 3ha1 h ILE 117 Cb 0.52 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3ha1 h ILE 117 CO -0.37 0.12 -0.02 0.11 0.00 0.00 0.00 178.15 177.99 3ha1 h LYS 118 N 0.68 0.63 0.00 2.37 1.57 -1.02 -3.28 116.57 117.51 3ha1 h LYS 118 Ca 0.43 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3ha1 h LYS 118 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3ha1 h LYS 118 CO -0.31 0.67 -1.12 1.28 -0.57 0.00 0.00 179.45 179.39 3ha1 n LEU 119 N -4.24 0.64 -4.70 2.94 4.77 -0.19 -4.96 117.00 111.26 3ha1 n LEU 119 Ca 0.02 -0.18 -0.44 0.00 -0.03 0.00 0.00 56.01 55.38 3ha1 n LEU 119 Cb 0.28 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3ha1 n LEU 119 CO 0.40 0.11 1.24 1.87 -1.33 0.00 0.00 177.39 179.69 3ha1 n TRP 120 N -1.81 2.54 1.54 -1.77 -0.00 0.63 -4.89 117.44 113.69 3ha1 n TRP 120 Ca 0.02 0.21 0.14 0.00 -0.00 0.00 0.00 57.50 57.87 3ha1 n TRP 120 Cb 0.41 -2.59 0.56 0.00 -0.00 0.00 0.00 31.31 29.69 3ha1 n TRP 120 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3ha1 n ASP 121 N 3.18 1.36 0.00 5.87 5.68 -1.26 -4.93 116.55 126.46 3ha1 n ASP 121 Ca 0.14 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 3ha1 n ASP 121 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3ha1 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ha1 n GLY 122 N 1.16 2.19 0.74 6.12 0.00 -1.26 -4.86 105.19 109.29 3ha1 n GLY 122 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3ha1 n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ha1 n SER 123 N 0.00 2.56 -3.66 1.61 7.64 -1.26 -4.97 113.62 115.54 3ha1 n SER 123 Ca 0.00 -1.77 -0.08 0.00 1.01 0.00 0.00 58.87 58.03 3ha1 n SER 123 Cb 0.00 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 3ha1 n SER 123 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ha1 s SER 124 N -1.51 -0.37 0.29 6.43 1.04 -1.26 -5.09 113.70 113.22 3ha1 s SER 124 Ca 0.22 1.06 -0.26 0.00 0.48 0.00 0.00 55.95 57.45 3ha1 s SER 124 Cb 0.15 1.45 -0.09 0.00 0.10 0.00 0.00 66.02 67.63 3ha1 s SER 124 CO 0.23 -0.23 0.91 0.42 0.98 0.00 0.00 173.24 175.55 3ha1 s THR 125 N 2.60 4.24 -0.06 2.02 -4.23 -1.26 -4.94 115.64 114.01 3ha1 s THR 125 Ca -0.03 1.80 0.05 0.00 -1.18 0.00 0.00 61.69 62.33 3ha1 s THR 125 Cb -0.12 -4.06 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 3ha1 s THR 125 CO -0.14 0.24 -0.19 -0.32 -0.54 0.00 0.00 174.62 173.67 3ha1 s MET 126 N -1.82 2.56 0.23 3.99 1.75 0.91 -4.70 119.30 122.22 3ha1 s MET 126 Ca 0.47 -0.79 -0.15 0.00 -1.25 0.00 0.00 55.69 53.97 3ha1 s MET 126 Cb -0.20 -2.29 -0.08 0.00 2.84 0.00 0.00 34.83 35.10 3ha1 s MET 126 CO 0.25 0.49 0.64 0.15 -0.65 0.00 0.00 175.02 175.91 3ha1 s LYS 127 N -0.41 4.00 0.04 4.11 1.02 -1.26 -0.81 119.74 126.42 3ha1 s LYS 127 Ca 0.04 0.57 -0.04 0.00 0.02 0.00 0.00 55.97 56.57 3ha1 s LYS 127 Cb -0.12 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 3ha1 s LYS 127 CO 0.02 0.33 0.06 1.52 -0.92 0.00 0.00 175.35 176.35 3ha1 s TYR 128 N -1.71 0.27 -0.03 3.18 1.13 -0.76 -2.00 117.35 117.43 3ha1 s TYR 128 Ca 0.46 -0.63 0.04 0.00 -1.41 0.00 0.00 57.07 55.53 3ha1 s TYR 128 Cb -0.13 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.51 3ha1 s TYR 128 CO 0.19 -0.36 -0.12 -1.01 -2.51 0.00 0.00 175.55 171.75 3ha1 s HIS 129 N -2.80 2.76 -0.05 -3.49 3.76 -0.23 -0.51 115.29 114.73 3ha1 s HIS 129 Ca -0.03 -0.12 -0.28 0.00 -0.15 0.00 0.00 55.06 54.48 3ha1 s HIS 129 Cb -0.00 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 3ha1 s HIS 129 CO -0.06 0.26 0.90 0.42 -0.85 0.00 0.00 174.74 175.42 3ha1 s ILE 130 N -0.84 4.90 -0.27 0.60 1.01 -0.58 -1.40 121.20 124.62 3ha1 s ILE 130 Ca 0.13 1.86 -0.14 0.00 0.00 0.00 0.00 60.65 62.50 3ha1 s ILE 130 Cb -0.11 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 3ha1 s ILE 130 CO 0.03 0.14 0.33 0.21 0.00 0.00 0.00 174.94 175.65 3ha1 s ASN 131 N 0.99 6.19 -0.13 3.58 3.84 -1.26 -0.49 114.94 127.65 3ha1 s ASN 131 Ca 0.46 0.19 -0.17 0.00 0.21 0.00 0.00 52.86 53.55 3ha1 s ASN 131 Cb -0.19 -2.19 -0.04 0.00 -0.55 0.00 0.00 41.25 38.28 3ha1 s ASN 131 CO 0.22 -0.15 0.45 -0.36 -2.79 0.00 0.00 177.10 174.47 3ha1 s PHE 132 N 1.99 3.50 -0.50 0.43 0.08 -0.06 -0.43 117.98 122.99 3ha1 s PHE 132 Ca 0.13 0.84 -0.22 0.00 0.12 0.00 0.00 56.93 57.80 3ha1 s PHE 132 Cb -0.16 -2.52 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 3ha1 s PHE 132 CO 0.10 0.17 0.76 0.34 -0.10 0.00 0.00 175.22 176.50 3ha1 s ASP 133 N 0.61 6.31 0.00 1.36 -1.08 0.15 -4.32 116.67 119.70 3ha1 s ASP 133 Ca 0.24 -0.51 0.22 0.00 -0.52 0.00 0.00 52.55 51.98 3ha1 s ASP 133 Cb -0.15 -2.36 0.50 0.00 -1.46 0.00 0.00 42.92 39.46 3ha1 s ASP 133 CO 0.09 -1.00 1.43 -1.54 0.52 0.00 0.00 175.17 174.68 3ha1 n SER 134 N 6.72 3.61 0.00 -0.34 3.41 -1.26 -4.50 113.62 121.25 3ha1 n SER 134 Ca -0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 3ha1 n SER 134 Cb 0.47 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3ha1 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ha1 n GLY 135 N 1.46 -0.62 0.18 5.00 0.00 -1.26 -4.25 105.19 105.70 3ha1 n GLY 135 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 3ha1 n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3ha1 h MET 136 N 0.00 0.00 -0.19 1.61 1.85 -1.89 -3.45 114.93 112.86 3ha1 h MET 136 Ca 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 3ha1 h MET 136 Cb 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 3ha1 h MET 136 CO 0.00 0.41 -0.07 0.41 -0.40 0.00 0.00 176.91 177.26 3ha1 n GLY 137 N 0.42 0.62 0.00 1.39 0.00 -1.26 -4.93 105.19 101.42 3ha1 n GLY 137 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3ha1 n GLY 137 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ha1 n ARG 138 N -1.84 0.00 -4.53 1.61 0.63 -1.26 -5.07 116.66 106.20 3ha1 n ARG 138 Ca -0.04 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.64 3ha1 n ARG 138 Cb 0.26 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.08 3ha1 n ARG 138 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3ha1 s ILE 139 N 0.00 0.96 0.00 5.15 -4.36 -1.26 -5.14 121.20 116.55 3ha1 s ILE 139 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3ha1 s ILE 139 Cb 0.00 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.20 3ha1 s ILE 139 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3ha1 n GLY 140 N -0.88 2.65 3.76 6.27 0.00 -1.26 -4.13 105.19 111.59 3ha1 n GLY 140 Ca -0.06 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 3ha1 n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ha1 s ILE 141 N -2.69 4.18 -0.09 -0.61 1.01 0.43 -4.25 121.20 119.19 3ha1 s ILE 141 Ca 0.00 1.98 0.01 0.00 0.00 0.00 0.00 60.65 62.63 3ha1 s ILE 141 Cb 0.00 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 3ha1 s ILE 141 CO 0.00 0.50 -0.08 0.54 0.00 0.00 0.00 174.94 175.90 3ha1 n ARG 142 N 1.59 0.21 -4.08 2.79 1.74 -1.26 -0.67 116.66 116.98 3ha1 n ARG 142 Ca -0.03 0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.86 3ha1 n ARG 142 Cb 0.48 -1.17 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 3ha1 n ARG 142 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ha1 s GLU 143 N -2.17 2.96 0.07 5.56 0.41 -1.26 -4.96 118.70 119.30 3ha1 s GLU 143 Ca -0.12 -0.92 -0.22 0.00 -0.41 0.00 0.00 54.97 53.30 3ha1 s GLU 143 Cb 0.03 -2.64 -0.13 0.00 -1.78 0.00 0.00 34.13 29.60 3ha1 s GLU 143 CO 0.20 0.45 1.59 -0.09 -0.49 0.00 0.00 175.26 176.92 3ha1 h ARG 144 N 2.01 0.13 -0.65 1.61 2.43 -1.99 -0.72 114.38 117.19 3ha1 h ARG 144 Ca -0.48 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3ha1 h ARG 144 Cb 1.22 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 3ha1 h ARG 144 CO 0.62 0.26 0.42 0.87 -1.51 0.00 0.00 179.97 180.64 3ha1 h LYS 145 N -0.03 0.81 -0.12 0.20 1.57 -1.99 -0.15 116.57 116.87 3ha1 h LYS 145 Ca 0.03 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3ha1 h LYS 145 Cb 0.18 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3ha1 h LYS 145 CO -0.00 0.54 -0.08 1.49 -0.57 0.00 0.00 179.45 180.82 3ha1 h GLU 146 N 0.84 -0.08 -0.39 3.15 4.81 -1.93 -1.82 114.58 119.15 3ha1 h GLU 146 Ca 0.25 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 3ha1 h GLU 146 Cb -0.04 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3ha1 h GLU 146 CO -0.08 -0.06 0.19 1.25 -0.73 0.00 0.00 179.01 179.58 3ha1 h LEU 147 N -0.09 0.26 -0.23 1.64 5.85 -0.76 -1.45 115.31 120.53 3ha1 h LEU 147 Ca 0.08 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3ha1 h LEU 147 Cb 0.20 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3ha1 h LEU 147 CO -0.18 0.19 -0.27 0.50 -0.34 0.00 0.00 178.44 178.34 3ha1 h LYS 148 N 0.38 -0.28 -0.15 1.25 3.64 -0.78 -0.76 116.57 119.87 3ha1 h LYS 148 Ca 0.17 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3ha1 h LYS 148 Cb 0.09 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ha1 h LYS 148 CO -0.13 -0.19 -0.10 0.78 -2.27 0.00 0.00 179.45 177.55 3ha1 h GLY 149 N -0.29 0.25 0.86 5.01 0.00 -1.19 -1.14 103.07 106.56 3ha1 h GLY 149 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3ha1 h GLY 149 CO -0.40 0.13 -0.07 -2.75 0.00 0.00 0.00 176.54 173.45 3ha1 h PHE 150 N 0.22 -0.19 -0.63 5.60 3.57 -0.62 -1.80 116.94 123.08 3ha1 h PHE 150 Ca 0.05 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.61 3ha1 h PHE 150 Cb 0.32 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 3ha1 h PHE 150 CO 0.00 0.00 0.32 -0.07 -2.23 0.00 0.00 178.31 176.34 3ha1 h LEU 151 N -0.35 0.45 -0.60 0.59 3.38 -1.02 -1.39 115.31 116.36 3ha1 h LEU 151 Ca -0.02 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ha1 h LEU 151 Cb 0.28 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3ha1 h LEU 151 CO 0.03 0.28 0.32 0.11 0.09 0.00 0.00 178.44 179.28 3ha1 h LYS 152 N 0.59 0.58 0.00 1.13 1.57 -1.08 -2.07 116.57 117.29 3ha1 h LYS 152 Ca 0.29 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3ha1 h LYS 152 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3ha1 h LYS 152 CO -0.21 0.39 -0.34 0.66 -0.57 0.00 0.00 179.45 179.37 3ha1 h SER 153 N 0.60 0.00 0.26 0.86 4.64 -0.88 -2.36 113.55 116.67 3ha1 h SER 153 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3ha1 h SER 153 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3ha1 h SER 153 CO -0.18 0.34 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.97 3ha1 h LEU 154 N 0.00 0.00 -2.40 5.97 3.38 -0.53 -1.82 115.31 119.90 3ha1 h LEU 154 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ha1 h LEU 154 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ha1 h LEU 154 CO 0.04 0.08 0.01 -0.33 0.09 0.00 0.00 178.44 178.34 3ha1 h GLU 155 N 0.00 0.00 -0.02 1.13 5.08 -1.30 0.08 114.58 119.55 3ha1 h GLU 155 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ha1 h GLU 155 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ha1 h GLU 155 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3ha1 n GLY 156 N -1.35 -0.58 2.39 -3.84 0.00 -0.68 -4.45 105.19 96.68 3ha1 n GLY 156 Ca -0.03 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 3ha1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha1 n ALA 157 N -0.50 3.27 0.44 4.61 0.00 0.01 -4.92 120.51 123.43 3ha1 n ALA 157 Ca 0.20 -4.07 0.06 0.00 0.00 0.00 0.00 53.44 49.64 3ha1 n ALA 157 Cb 0.20 -0.85 0.27 0.00 0.00 0.00 0.00 19.45 19.07 3ha1 n ALA 157 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ha1 n PRO 158 N 0.74 0.01 0.00 0.00 -0.04 -1.26 -1.22 135.00 133.24 3ha1 n PRO 158 Ca 0.26 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 3ha1 n PRO 158 Cb 0.49 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.07 3ha1 n PRO 158 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3ha1 n PHE 159 N -1.49 0.00 -3.44 0.54 -1.74 -1.26 -4.71 117.46 105.36 3ha1 n PHE 159 Ca 0.03 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.55 3ha1 n PHE 159 Cb 0.14 -0.47 -0.07 0.00 1.52 0.00 0.00 39.48 40.61 3ha1 n PHE 159 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3ha1 s LEU 160 N -2.94 4.22 -0.13 5.98 1.43 -0.35 -0.06 118.68 126.82 3ha1 s LEU 160 Ca 0.16 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3ha1 s LEU 160 Cb 0.19 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.95 3ha1 s LEU 160 CO 0.50 0.03 -0.12 -0.70 0.23 0.00 0.00 176.35 176.29 3ha1 s GLU 161 N 0.76 2.03 0.12 1.70 2.12 0.01 -4.96 118.70 120.47 3ha1 s GLU 161 Ca 0.19 -0.45 -0.31 0.00 0.36 0.00 0.00 54.97 54.76 3ha1 s GLU 161 Cb -0.14 -1.92 -0.09 0.00 0.26 0.00 0.00 34.13 32.24 3ha1 s GLU 161 CO 0.06 -0.24 1.61 -1.17 -0.54 0.00 0.00 175.26 174.99 3ha1 s LEU 162 N 1.54 4.37 -0.06 2.70 2.96 -1.26 -1.82 118.68 127.11 3ha1 s LEU 162 Ca 0.04 2.57 0.08 0.00 -0.22 0.00 0.00 54.13 56.60 3ha1 s LEU 162 Cb -0.13 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 3ha1 s LEU 162 CO -0.09 -0.86 0.08 1.21 -1.32 0.00 0.00 176.35 175.37 3ha1 n GLU 163 N 4.70 1.88 -3.81 1.98 2.13 0.34 -4.84 120.64 123.01 3ha1 n GLU 163 Ca 0.15 -0.03 0.01 0.00 0.66 0.00 0.00 57.16 57.95 3ha1 n GLU 163 Cb 0.39 -1.21 0.01 0.00 0.27 0.00 0.00 31.44 30.90 3ha1 n GLU 163 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3ha1 s GLY 164 N -3.66 -0.21 -0.01 8.31 0.00 -1.22 -4.31 107.32 106.22 3ha1 s GLY 164 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.92 3ha1 s GLY 164 CO 0.34 2.54 -0.01 0.14 0.00 0.00 0.00 173.10 176.11 3ha1 s VAL 165 N -2.29 0.12 0.08 1.40 1.01 -0.20 -1.53 120.40 118.99 3ha1 s VAL 165 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 3ha1 s VAL 165 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.24 3ha1 s VAL 165 CO -0.01 0.07 0.21 -0.72 0.00 0.00 0.00 175.10 174.65 3ha1 s TYR 166 N 0.36 0.11 0.41 5.22 1.13 0.35 -2.21 117.35 122.71 3ha1 s TYR 166 Ca -0.03 -0.50 0.04 0.00 -1.41 0.00 0.00 57.07 55.17 3ha1 s TYR 166 Cb -0.05 -0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.75 3ha1 s TYR 166 CO -0.01 -0.54 0.14 -0.08 -2.51 0.00 0.00 175.55 172.55 3ha1 s THR 167 N -3.66 0.57 -0.05 -3.49 -1.32 -1.10 -0.88 115.64 105.71 3ha1 s THR 167 Ca 0.03 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.47 3ha1 s THR 167 Cb 0.04 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 3ha1 s THR 167 CO -0.10 0.00 0.14 -2.28 -2.21 0.00 0.00 174.62 170.17 3ha1 s HIS 168 N -3.21 -0.15 -0.07 9.09 2.46 -1.26 -4.34 115.29 117.80 3ha1 s HIS 168 Ca 0.24 0.39 -0.16 0.00 0.47 0.00 0.00 55.06 56.00 3ha1 s HIS 168 Cb 0.02 0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.46 3ha1 s HIS 168 CO 0.15 -0.09 0.41 -0.06 -2.47 0.00 0.00 174.74 172.69 3ha1 s PHE 169 N 0.23 3.61 -0.32 3.88 0.08 -1.26 -4.36 117.98 119.84 3ha1 s PHE 169 Ca -0.01 0.89 0.23 0.00 0.12 0.00 0.00 56.93 58.16 3ha1 s PHE 169 Cb -0.02 -2.39 0.14 0.00 -0.57 0.00 0.00 43.02 40.18 3ha1 s PHE 169 CO -0.01 0.41 1.28 0.00 -0.10 0.00 0.00 175.22 176.80 3ha1 h ALA 170 N 5.73 0.70 0.00 5.36 0.00 -1.95 -3.40 119.26 125.70 3ha1 h ALA 170 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ha1 h ALA 170 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ha1 h ALA 170 CO 0.69 0.00 -0.34 0.25 0.00 0.00 0.00 179.25 179.85 3ha1 n THR 171 N -2.84 0.53 0.24 0.00 -2.24 -1.26 -4.84 114.28 103.87 3ha1 n THR 171 Ca 0.02 -0.63 0.03 0.00 -2.27 0.00 0.00 64.05 61.20 3ha1 n THR 171 Cb 0.54 0.32 0.14 0.00 -2.10 0.00 0.00 70.33 69.23 3ha1 n THR 171 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ha1 n ALA 172 N -0.40 1.33 -0.41 6.98 0.00 -1.26 -1.39 120.51 125.36 3ha1 n ALA 172 Ca 0.04 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3ha1 n ALA 172 Cb 0.67 -1.11 0.32 0.00 0.00 0.00 0.00 19.45 19.33 3ha1 n ALA 172 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ha1 n ASP 173 N -1.47 4.06 -4.78 0.00 5.75 -1.26 -4.50 116.55 114.36 3ha1 n ASP 173 Ca 0.02 -2.09 -0.36 0.00 -0.01 0.00 0.00 54.79 52.35 3ha1 n ASP 173 Cb 0.07 -0.49 -0.08 0.00 -1.03 0.00 0.00 41.12 39.59 3ha1 n ASP 173 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ha1 s GLU 174 N -1.18 3.31 0.09 0.11 2.02 -0.49 -4.41 118.70 118.16 3ha1 s GLU 174 Ca 0.48 -0.26 -0.22 0.00 0.02 0.00 0.00 54.97 54.98 3ha1 s GLU 174 Cb 0.26 -3.04 -0.14 0.00 0.10 0.00 0.00 34.13 31.32 3ha1 s GLU 174 CO 0.30 0.70 1.73 0.28 0.02 0.00 0.00 175.26 178.29 3ha1 h VAL 175 N 4.14 1.03 -3.79 2.63 2.07 -1.90 -3.41 116.25 117.02 3ha1 h VAL 175 Ca -0.52 -0.07 -0.53 0.00 0.82 0.00 0.00 66.70 66.41 3ha1 h VAL 175 Cb 1.21 1.00 0.08 0.00 -1.52 0.00 0.00 31.29 32.06 3ha1 h VAL 175 CO 0.58 0.02 0.71 -0.70 0.02 0.00 0.00 177.57 178.20 3ha1 s GLU 176 N -6.10 4.27 0.00 1.57 -6.30 -1.26 -4.97 118.70 105.90 3ha1 s GLU 176 Ca -0.13 2.34 0.15 0.00 -2.50 0.00 0.00 54.97 54.83 3ha1 s GLU 176 Cb 0.06 -3.05 0.39 0.00 0.00 0.00 0.00 34.13 31.53 3ha1 s GLU 176 CO 0.67 -0.34 1.30 0.25 0.02 0.00 0.00 175.26 177.16 3ha1 n THR 177 N 1.04 0.83 -0.02 -1.70 -2.24 -1.26 -4.78 114.28 106.15 3ha1 n THR 177 Ca 0.02 -0.92 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 3ha1 n THR 177 Cb 0.41 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 3ha1 n THR 177 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ha1 h SER 178 N 2.93 -0.62 -0.66 3.42 0.02 -1.96 -0.21 113.55 116.47 3ha1 h SER 178 Ca 0.00 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3ha1 h SER 178 Cb 0.80 0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 3ha1 h SER 178 CO 0.00 -0.24 0.24 0.22 -1.14 0.00 0.00 176.83 175.91 3ha1 h TYR 179 N -0.23 1.04 -0.73 3.45 3.20 -1.97 -1.92 116.97 119.81 3ha1 h TYR 179 Ca 0.11 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ha1 h TYR 179 Cb 0.40 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3ha1 h TYR 179 CO -0.32 0.82 0.43 0.35 -1.64 0.00 0.00 178.16 177.80 3ha1 h PHE 180 N 0.95 0.96 -0.76 -3.82 3.57 -1.81 -0.26 116.94 115.76 3ha1 h PHE 180 Ca 0.22 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3ha1 h PHE 180 Cb 0.25 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3ha1 h PHE 180 CO 0.02 0.65 0.28 -0.44 -2.23 0.00 0.00 178.31 176.59 3ha1 h ASP 181 N 0.99 1.08 -0.34 0.41 3.32 -0.86 0.40 116.42 121.41 3ha1 h ASP 181 Ca 0.26 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3ha1 h ASP 181 Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3ha1 h ASP 181 CO -0.05 0.97 0.13 0.11 -1.72 0.00 0.00 179.24 178.69 3ha1 h LYS 182 N 1.12 0.52 -0.27 3.56 6.56 -0.92 -1.17 116.57 125.96 3ha1 h LYS 182 Ca 0.25 -0.10 0.06 0.00 -1.06 0.00 0.00 60.65 59.81 3ha1 h LYS 182 Cb 0.25 -0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 31.77 3ha1 h LYS 182 CO -0.02 0.51 -0.12 1.96 -2.06 0.00 0.00 179.45 179.72 3ha1 h GLN 183 N 0.41 -0.08 -0.48 3.15 4.20 -0.71 0.18 115.11 121.78 3ha1 h GLN 183 Ca 0.11 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.89 3ha1 h GLN 183 Cb 0.19 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 3ha1 h GLN 183 CO -0.01 -0.05 0.18 -0.92 -0.67 0.00 0.00 178.83 177.35 3ha1 h TYR 184 N -0.08 0.31 -0.75 2.96 3.20 -0.66 0.14 116.97 122.08 3ha1 h TYR 184 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3ha1 h TYR 184 Cb 0.30 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3ha1 h TYR 184 CO -0.31 0.11 0.27 -0.91 -1.64 0.00 0.00 178.16 175.68 3ha1 h ASN 185 N 0.36 1.06 -0.20 -2.11 2.35 -0.84 -1.64 115.58 114.56 3ha1 h ASN 185 Ca 0.23 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3ha1 h ASN 185 Cb 0.23 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3ha1 h ASN 185 CO -0.23 0.96 0.05 0.74 -1.65 0.00 0.00 177.43 177.31 3ha1 h THR 186 N 1.11 1.20 -0.90 2.81 2.02 -0.06 -2.33 112.91 116.75 3ha1 h THR 186 Ca 0.25 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.85 3ha1 h THR 186 Cb 0.26 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 3ha1 h THR 186 CO -0.01 0.20 0.59 0.15 0.37 0.00 0.00 175.52 176.81 3ha1 h PHE 187 N 0.14 1.04 -0.71 3.16 3.57 -0.62 -0.82 116.94 122.70 3ha1 h PHE 187 Ca 0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3ha1 h PHE 187 Cb 0.26 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3ha1 h PHE 187 CO 0.01 0.54 0.27 -0.07 -2.23 0.00 0.00 178.31 176.83 3ha1 h LEU 188 N 1.02 0.97 -0.56 0.59 3.38 -1.01 -0.57 115.31 119.13 3ha1 h LEU 188 Ca 0.39 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 3ha1 h LEU 188 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ha1 h LEU 188 CO -0.15 0.87 0.14 -0.08 0.09 0.00 0.00 178.44 179.32 3ha1 h GLU 189 N 1.03 0.90 -0.75 1.13 4.81 -0.78 -2.15 114.58 118.78 3ha1 h GLU 189 Ca 0.24 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3ha1 h GLU 189 Cb 0.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3ha1 h GLU 189 CO -0.02 0.84 0.31 1.96 -0.73 0.00 0.00 179.01 181.36 3ha1 h GLN 190 N 0.80 1.11 -0.23 1.92 4.20 -0.42 -0.93 115.11 121.56 3ha1 h GLN 190 Ca 0.18 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 3ha1 h GLN 190 Cb 0.34 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3ha1 h GLN 190 CO 0.00 0.90 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.85 3ha1 h LEU 191 N 1.07 0.38 -0.43 1.46 3.38 -1.11 -1.83 115.31 118.23 3ha1 h LEU 191 Ca 0.25 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ha1 h LEU 191 Cb 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ha1 h LEU 191 CO -0.02 0.55 0.12 -1.28 0.09 0.00 0.00 178.44 177.90 3ha1 h SER 192 N 0.36 0.64 -0.42 -0.43 0.87 -0.63 -1.44 113.55 112.50 3ha1 h SER 192 Ca 0.07 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3ha1 h SER 192 Cb 0.47 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 3ha1 h SER 192 CO 0.03 0.69 0.18 -0.50 -0.53 0.00 0.00 176.83 176.70 3ha1 h TRP 193 N 0.55 0.32 -0.89 2.24 6.55 -0.85 0.30 115.95 124.18 3ha1 h TRP 193 Ca 0.14 0.02 0.01 0.00 0.95 0.00 0.00 58.89 60.00 3ha1 h TRP 193 Cb 0.30 -0.08 -0.04 0.00 -0.86 0.00 0.00 29.16 28.47 3ha1 h TRP 193 CO 0.02 0.14 0.59 1.25 -1.05 0.00 0.00 178.44 179.39 3ha1 h LEU 194 N 0.37 1.02 -0.58 -4.49 5.85 -0.99 -0.29 115.31 116.19 3ha1 h LEU 194 Ca 0.19 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3ha1 h LEU 194 Cb 0.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3ha1 h LEU 194 CO -0.17 0.74 -0.26 0.11 -0.34 0.00 0.00 178.44 178.53 3ha1 h LYS 195 N 1.21 0.85 -1.00 1.25 6.56 -0.87 -0.62 116.57 123.96 3ha1 h LYS 195 Ca 0.33 -0.37 0.03 0.00 -1.06 0.00 0.00 60.65 59.57 3ha1 h LYS 195 Cb -0.14 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.44 3ha1 h LYS 195 CO -0.07 1.01 0.66 1.49 -2.06 0.00 0.00 179.45 180.48 3ha1 h GLU 196 N 0.73 1.26 -0.04 3.15 4.81 -0.35 0.30 114.58 124.44 3ha1 h GLU 196 Ca 0.09 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ha1 h GLU 196 Cb 0.80 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3ha1 h GLU 196 CO 0.07 0.84 0.00 1.19 -0.73 0.00 0.00 179.01 180.37 3ha1 n PHE 197 N -4.41 0.06 -1.06 0.92 3.72 -0.17 -4.87 117.46 111.65 3ha1 n PHE 197 Ca 0.13 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3ha1 n PHE 197 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3ha1 n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ha1 n GLY 198 N 0.57 0.38 3.43 1.37 0.00 0.11 -5.01 105.19 106.04 3ha1 n GLY 198 Ca 0.02 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 3ha1 n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ha1 s VAL 199 N -2.00 4.15 -0.16 1.61 1.01 -0.30 -5.00 120.40 119.72 3ha1 s VAL 199 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3ha1 s VAL 199 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3ha1 s VAL 199 CO 0.00 0.36 1.22 -0.62 0.00 0.00 0.00 175.10 176.06 3ha1 s ASP 200 N 1.55 6.99 0.47 3.32 2.15 -1.26 -3.77 116.67 126.12 3ha1 s ASP 200 Ca 0.06 1.67 0.23 0.00 0.43 0.00 0.00 52.55 54.94 3ha1 s ASP 200 Cb -0.15 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.11 3ha1 s ASP 200 CO 0.02 -0.72 1.97 -0.65 -0.17 0.00 0.00 175.17 175.63 3ha1 h PRO 201 N 7.98 0.00 0.00 4.34 0.11 -1.96 -3.46 132.00 139.01 3ha1 h PRO 201 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ha1 h PRO 201 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ha1 h PRO 201 CO 0.96 0.19 0.00 1.63 -0.21 0.00 0.00 178.00 180.57 3ha1 n LYS 202 N -3.70 0.00 -3.30 1.05 5.02 -1.26 -4.10 118.16 111.86 3ha1 n LYS 202 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 3ha1 n LYS 202 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.28 3ha1 n LYS 202 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ha1 s PHE 203 N 0.00 -1.26 -0.05 2.13 5.36 -1.26 -5.05 117.98 117.85 3ha1 s PHE 203 Ca 0.00 1.46 0.05 0.00 -0.96 0.00 0.00 56.93 57.48 3ha1 s PHE 203 Cb 0.00 0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 43.05 3ha1 s PHE 203 CO 0.00 -0.78 -0.20 0.08 -1.46 0.00 0.00 175.22 172.87 3ha1 s VAL 204 N 2.74 2.57 -0.04 3.12 1.01 -1.26 -1.03 120.40 127.51 3ha1 s VAL 204 Ca 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3ha1 s VAL 204 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3ha1 s VAL 204 CO -0.18 0.58 0.14 -1.38 0.00 0.00 0.00 175.10 174.25 3ha1 s HIS 205 N -0.49 -0.10 0.00 5.22 -3.43 -0.94 -1.33 115.29 114.22 3ha1 s HIS 205 Ca 0.06 0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 3ha1 s HIS 205 Cb -0.12 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.06 3ha1 s HIS 205 CO 0.01 -0.13 0.00 0.25 -2.00 0.00 0.00 174.74 172.87 3ha1 n THR 206 N 2.60 0.00 -3.41 -5.38 -2.24 -1.25 -2.71 114.28 101.88 3ha1 n THR 206 Ca -0.15 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 3ha1 n THR 206 Cb 0.58 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 3ha1 n THR 206 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ha1 s ALA 207 N -0.86 3.58 0.27 6.98 0.00 -1.26 -4.33 121.76 126.14 3ha1 s ALA 207 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3ha1 s ALA 207 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.60 3ha1 s ALA 207 CO 0.00 0.22 0.00 0.27 0.00 0.00 0.00 175.76 176.25 3ha1 n ASN 208 N 2.82 0.00 0.04 0.00 0.23 -1.26 -0.59 115.26 116.50 3ha1 n ASN 208 Ca -0.10 -0.78 -0.10 0.00 -0.53 0.00 0.00 54.58 53.06 3ha1 n ASN 208 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 3ha1 n ASN 208 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3ha1 h SER 209 N 0.00 -0.55 -0.21 0.53 0.02 -1.95 -0.60 113.55 110.80 3ha1 h SER 209 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3ha1 h SER 209 Cb 0.00 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3ha1 h SER 209 CO 0.00 -0.24 0.12 0.00 -1.14 0.00 0.00 176.83 175.56 3ha1 h ALA 210 N 0.67 0.27 -0.74 3.77 0.00 -1.94 -1.18 119.26 120.11 3ha1 h ALA 210 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ha1 h ALA 210 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ha1 h ALA 210 CO -0.20 -0.21 0.26 0.00 0.00 0.00 0.00 179.25 179.10 3ha1 h ALA 211 N 1.01 0.96 -0.69 0.00 0.00 -1.76 -2.42 119.26 116.37 3ha1 h ALA 211 Ca 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3ha1 h ALA 211 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3ha1 h ALA 211 CO -0.01 0.61 0.29 1.15 0.00 0.00 0.00 179.25 181.29 3ha1 h THR 212 N 1.07 1.24 -0.00 0.00 2.02 -0.80 -1.20 112.91 115.24 3ha1 h THR 212 Ca 0.24 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3ha1 h THR 212 Cb 0.26 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3ha1 h THR 212 CO -0.01 0.30 -0.05 0.18 0.37 0.00 0.00 175.52 176.30 3ha1 n LEU 213 N -4.40 0.09 -0.04 2.58 4.77 -0.47 -4.34 117.00 115.19 3ha1 n LEU 213 Ca 0.05 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 3ha1 n LEU 213 Cb 0.16 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3ha1 n LEU 213 CO 0.39 0.02 -0.77 0.54 -1.33 0.00 0.00 177.39 176.24 3ha1 n ARG 214 N -1.35 0.18 -4.11 3.23 1.74 -0.93 -4.46 116.66 110.96 3ha1 n ARG 214 Ca 0.11 0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 3ha1 n ARG 214 Cb 0.29 -0.87 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 3ha1 n ARG 214 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ha1 s PHE 215 N -2.15 3.24 0.41 -1.55 0.08 -0.49 -5.10 117.98 112.42 3ha1 s PHE 215 Ca -0.11 0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.89 3ha1 s PHE 215 Cb 0.04 -1.70 -0.11 0.00 -0.57 0.00 0.00 43.02 40.69 3ha1 s PHE 215 CO 0.15 0.53 0.93 1.14 -0.10 0.00 0.00 175.22 177.87 3ha1 s GLN 216 N -1.90 4.24 -1.22 0.44 -2.07 -1.26 -4.08 119.66 113.81 3ha1 s GLN 216 Ca 0.24 1.09 0.00 0.00 -1.82 0.00 0.00 55.36 54.87 3ha1 s GLN 216 Cb -0.12 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.54 3ha1 s GLN 216 CO 0.16 0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 3ha1 n GLY 217 N -0.50 0.97 0.00 2.60 0.00 -1.26 -4.86 105.19 102.14 3ha1 n GLY 217 Ca 0.06 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.69 3ha1 n GLY 217 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ha1 n ILE 218 N -2.97 0.00 -0.08 -0.61 0.13 -1.26 -4.71 119.36 109.86 3ha1 n ILE 218 Ca -0.13 -0.25 -0.05 0.00 -1.10 0.00 0.00 62.75 61.22 3ha1 n ILE 218 Cb 0.44 0.58 0.15 0.00 -0.84 0.00 0.00 39.64 39.97 3ha1 n ILE 218 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3ha1 h THR 219 N 0.00 1.25 0.00 9.51 1.35 -1.89 -3.39 112.91 119.74 3ha1 h THR 219 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3ha1 h THR 219 Cb 0.41 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3ha1 h THR 219 CO 0.00 0.39 0.00 0.49 -0.25 0.00 0.00 175.52 176.15 3ha1 n PHE 220 N -4.17 0.00 0.39 4.73 3.72 -1.26 -2.37 117.46 118.50 3ha1 n PHE 220 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 3ha1 n PHE 220 Cb 0.35 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 3ha1 n PHE 220 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ha1 n ASN 221 N 3.42 0.58 -3.53 4.37 4.13 -0.44 -4.82 115.26 118.96 3ha1 n ASN 221 Ca 0.00 -0.06 -0.15 0.00 1.68 0.00 0.00 54.58 56.05 3ha1 n ASN 221 Cb 0.00 0.88 -0.05 0.00 -1.54 0.00 0.00 39.78 39.07 3ha1 n ASN 221 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ha1 s ALA 222 N -3.28 -1.81 0.24 5.41 0.00 -1.00 -1.65 121.76 119.68 3ha1 s ALA 222 Ca 0.01 1.32 0.10 0.00 0.00 0.00 0.00 51.96 53.39 3ha1 s ALA 222 Cb 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3ha1 s ALA 222 CO 0.81 -0.40 -0.11 0.14 0.00 0.00 0.00 175.76 176.20 3ha1 s VAL 223 N -1.50 2.98 -0.28 0.00 -7.23 -0.28 -3.89 120.40 110.20 3ha1 s VAL 223 Ca -0.06 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3ha1 s VAL 223 Cb -0.00 -2.54 0.07 0.00 0.56 0.00 0.00 36.38 34.47 3ha1 s VAL 223 CO 0.04 -0.27 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.37 3ha1 s ARG 224 N -3.27 2.10 -0.29 4.82 0.52 0.25 -0.93 118.95 122.14 3ha1 s ARG 224 Ca 0.28 -1.46 -0.09 0.00 -0.52 0.00 0.00 55.73 53.94 3ha1 s ARG 224 Cb -0.07 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 3ha1 s ARG 224 CO 0.16 -0.67 0.12 0.42 0.02 0.00 0.00 175.30 175.36 3ha1 s ILE 225 N 1.08 4.46 0.00 1.52 -1.09 -0.12 -3.56 121.20 123.49 3ha1 s ILE 225 Ca -0.04 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 3ha1 s ILE 225 Cb -0.20 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3ha1 s ILE 225 CO -0.05 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 3ha1 n GLY 226 N 4.95 0.03 0.37 6.18 0.00 -1.26 -0.91 105.19 114.55 3ha1 n GLY 226 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3ha1 n GLY 226 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ha1 h ILE 227 N 0.00 0.79 0.00 -0.61 6.09 -1.90 0.11 117.51 121.99 3ha1 h ILE 227 Ca 0.00 -0.26 -0.04 0.00 -1.37 0.00 0.00 64.86 63.19 3ha1 h ILE 227 Cb 0.00 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.26 3ha1 h ILE 227 CO 0.00 0.14 -0.19 0.00 -3.07 0.00 0.00 178.15 175.02 3ha1 h ALA 228 N 1.60 1.49 -0.17 0.18 0.00 -1.91 -1.43 119.26 119.01 3ha1 h ALA 228 Ca 0.50 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3ha1 h ALA 228 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ha1 h ALA 228 CO -0.27 0.24 -0.21 1.98 0.00 0.00 0.00 179.25 180.99 3ha1 h MET 229 N 0.00 0.29 -0.01 0.00 1.85 -1.07 -1.85 114.93 114.14 3ha1 h MET 229 Ca -0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 3ha1 h MET 229 Cb 0.39 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.39 3ha1 h MET 229 CO 0.03 0.50 -0.03 0.66 -0.40 0.00 0.00 176.91 177.66 3ha1 n TYR 230 N -4.19 0.00 -0.75 1.39 4.01 -0.59 -4.42 117.16 112.62 3ha1 n TYR 230 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3ha1 n TYR 230 Cb 0.34 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 3ha1 n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ha1 n GLY 231 N 1.14 0.74 3.41 2.72 0.00 -0.70 -1.42 105.19 111.09 3ha1 n GLY 231 Ca 0.19 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3ha1 n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ha1 s LEU 232 N 0.00 2.41 0.24 0.99 1.43 -0.92 -3.25 118.68 119.57 3ha1 s LEU 232 Ca 0.00 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 3ha1 s LEU 232 Cb 0.00 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 3ha1 s LEU 232 CO 0.00 0.21 1.20 -0.55 0.23 0.00 0.00 176.35 177.44 3ha1 s SER 233 N -1.76 7.07 0.39 2.29 0.15 -1.26 -3.67 113.70 116.91 3ha1 s SER 233 Ca 0.14 2.34 0.15 0.00 0.70 0.00 0.00 55.95 59.28 3ha1 s SER 233 Cb -0.10 -2.62 1.00 0.00 -1.71 0.00 0.00 66.02 62.59 3ha1 s SER 233 CO 0.06 -0.35 1.84 -0.65 1.20 0.00 0.00 173.24 175.34 3ha1 h PRO 234 N 4.55 0.48 -3.45 5.44 0.11 -1.96 -3.44 132.00 133.73 3ha1 h PRO 234 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3ha1 h PRO 234 Cb 1.21 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 3ha1 h PRO 234 CO 0.71 0.32 -0.05 -1.54 -0.21 0.00 0.00 178.00 177.23 3ha1 s SER 235 N -5.61 -0.18 0.25 -2.05 1.04 -1.26 -5.00 113.70 100.88 3ha1 s SER 235 Ca -0.09 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 3ha1 s SER 235 Cb 0.23 0.56 0.29 0.00 0.10 0.00 0.00 66.02 67.20 3ha1 s SER 235 CO 0.79 -1.06 1.72 0.58 0.98 0.00 0.00 173.24 176.25 3ha1 h VAL 236 N 2.26 1.25 0.00 5.02 2.07 -1.91 -2.93 116.25 122.01 3ha1 h VAL 236 Ca -0.28 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.04 3ha1 h VAL 236 Cb 1.25 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3ha1 h VAL 236 CO 0.38 0.38 -0.50 1.05 0.02 0.00 0.00 177.57 178.90 3ha1 h GLU 237 N 0.73 0.00 -0.00 1.57 4.11 -1.96 -2.67 114.58 116.36 3ha1 h GLU 237 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3ha1 h GLU 237 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ha1 h GLU 237 CO 0.03 0.50 -0.57 0.44 0.07 0.00 0.00 179.01 179.48 3ha1 n ILE 238 N -3.73 0.00 -0.28 -1.06 -5.35 -1.19 -4.36 119.36 103.39 3ha1 n ILE 238 Ca -0.01 -0.03 0.10 0.00 -0.27 0.00 0.00 62.75 62.54 3ha1 n ILE 238 Cb 0.55 0.49 0.25 0.00 -1.74 0.00 0.00 39.64 39.19 3ha1 n ILE 238 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3ha1 h ARG 239 N 0.31 0.22 0.00 6.28 2.43 -1.28 0.16 114.38 122.50 3ha1 h ARG 239 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ha1 h ARG 239 Cb 0.51 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3ha1 h ARG 239 CO 0.00 0.15 0.00 -2.30 -1.51 0.00 0.00 179.97 176.31 3ha1 n PRO 240 N -5.21 0.13 -0.08 0.20 -0.02 -1.26 -2.44 135.00 126.31 3ha1 n PRO 240 Ca 0.19 0.49 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3ha1 n PRO 240 Cb 0.59 -1.81 0.10 0.00 -0.02 0.00 0.00 33.50 32.36 3ha1 n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ha1 n PHE 241 N -2.06 0.21 -2.54 6.00 3.72 0.56 -4.99 117.46 118.35 3ha1 n PHE 241 Ca 0.01 -0.20 -0.38 0.00 -0.05 0.00 0.00 57.45 56.83 3ha1 n PHE 241 Cb 0.12 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 3ha1 n PHE 241 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ha1 s LEU 242 N -1.02 4.27 0.35 4.37 1.43 -1.02 -4.94 118.68 122.11 3ha1 s LEU 242 Ca 0.19 2.08 0.26 0.00 -1.03 0.00 0.00 54.13 55.63 3ha1 s LEU 242 Cb 0.12 -4.02 0.85 0.00 0.03 0.00 0.00 46.19 43.16 3ha1 s LEU 242 CO 0.16 -0.37 1.76 1.55 0.23 0.00 0.00 176.35 179.69 3ha1 h PRO 243 N 2.90 0.00 -3.35 1.29 0.13 -1.92 -3.46 132.00 127.59 3ha1 h PRO 243 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3ha1 h PRO 243 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 3ha1 h PRO 243 CO 0.64 0.00 0.02 -0.59 -0.23 0.00 0.00 178.00 177.84 3ha1 s PHE 244 N -3.30 0.01 -0.08 1.56 -0.71 -1.26 -5.13 117.98 109.08 3ha1 s PHE 244 Ca 0.06 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.27 3ha1 s PHE 244 Cb 0.09 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 3ha1 s PHE 244 CO 0.56 -1.00 1.43 -1.59 -1.34 0.00 0.00 175.22 173.27 3ha1 s LYS 245 N -3.93 4.23 0.19 1.99 0.00 -1.26 -5.01 119.74 115.96 3ha1 s LYS 245 Ca 0.13 1.92 -0.28 0.00 0.00 0.00 0.00 55.97 57.75 3ha1 s LYS 245 Cb -0.02 -3.77 -0.08 0.00 0.00 0.00 0.00 37.83 33.96 3ha1 s LYS 245 CO 0.03 -0.70 0.86 -0.51 0.00 0.00 0.00 175.35 175.03 3ha1 s LEU 246 N 3.30 4.61 -0.37 2.77 1.43 -1.26 -5.00 118.68 124.16 3ha1 s LEU 246 Ca 0.63 1.79 -0.10 0.00 -1.03 0.00 0.00 54.13 55.42 3ha1 s LEU 246 Cb -0.28 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.51 3ha1 s LEU 246 CO 0.23 0.16 0.19 -1.61 0.23 0.00 0.00 176.35 175.56 3ha1 s GLU 247 N -1.05 2.81 0.20 1.70 2.02 -1.26 -4.87 118.70 118.25 3ha1 s GLU 247 Ca 0.39 -1.08 -0.31 0.00 0.02 0.00 0.00 54.97 53.98 3ha1 s GLU 247 Cb -0.24 -3.69 -0.10 0.00 0.10 0.00 0.00 34.13 30.19 3ha1 s GLU 247 CO 0.29 -0.69 1.57 -2.14 0.02 0.00 0.00 175.26 174.31 3ha1 s PRO 248 N 1.54 4.21 0.11 0.39 0.02 -1.20 -3.89 135.00 136.17 3ha1 s PRO 248 Ca 0.02 2.40 0.21 0.00 0.02 0.00 0.00 61.00 63.64 3ha1 s PRO 248 Cb -0.19 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.10 3ha1 s PRO 248 CO 0.06 -0.59 0.86 0.00 -0.33 0.00 0.00 177.00 177.00 3ha1 n ALA 249 N 3.53 2.37 -2.93 -1.55 0.00 -0.51 -4.89 120.51 116.53 3ha1 n ALA 249 Ca 0.12 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 3ha1 n ALA 249 Cb 0.38 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 3ha1 n ALA 249 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ha1 s LEU 250 N -5.35 3.12 0.24 0.00 0.20 -1.26 -0.06 118.68 115.57 3ha1 s LEU 250 Ca -0.03 -0.16 0.07 0.00 0.69 0.00 0.00 54.13 54.71 3ha1 s LEU 250 Cb 0.10 -1.73 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 3ha1 s LEU 250 CO 0.82 0.19 -0.11 -0.94 -0.29 0.00 0.00 176.35 176.02 3ha1 s SER 251 N 0.20 2.68 -0.09 3.68 1.04 0.20 -4.71 113.70 116.70 3ha1 s SER 251 Ca -0.04 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.30 3ha1 s SER 251 Cb -0.14 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.85 3ha1 s SER 251 CO 0.03 -0.23 -0.04 -0.22 0.98 0.00 0.00 173.24 173.76 3ha1 s LEU 252 N -3.37 0.97 0.14 2.42 2.96 0.81 -0.11 118.68 122.48 3ha1 s LEU 252 Ca 0.26 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3ha1 s LEU 252 Cb 0.01 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 3ha1 s LEU 252 CO 0.09 -0.14 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.84 3ha1 s HIS 253 N 1.72 1.46 0.13 5.38 3.76 -0.33 -0.57 115.29 126.84 3ha1 s HIS 253 Ca 0.03 -0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 54.27 3ha1 s HIS 253 Cb -0.13 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.82 3ha1 s HIS 253 CO -0.06 0.18 0.27 -0.08 -0.85 0.00 0.00 174.74 174.19 3ha1 s THR 254 N -2.33 0.10 0.09 1.30 -1.32 0.19 -1.18 115.64 112.50 3ha1 s THR 254 Ca 0.12 -1.18 0.10 0.00 -1.21 0.00 0.00 61.69 59.52 3ha1 s THR 254 Cb -0.04 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.38 3ha1 s THR 254 CO 0.03 -0.44 -0.26 -0.54 -2.21 0.00 0.00 174.62 171.20 3ha1 s LYS 255 N -3.90 1.60 -0.20 7.08 1.02 -1.11 0.16 119.74 124.39 3ha1 s LYS 255 Ca 0.10 -1.23 -0.28 0.00 0.02 0.00 0.00 55.97 54.57 3ha1 s LYS 255 Cb 0.04 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.35 3ha1 s LYS 255 CO -0.06 0.48 2.06 0.08 -0.92 0.00 0.00 175.35 176.99 3ha1 s VAL 256 N -0.95 3.14 -0.14 3.17 1.01 0.04 -4.40 120.40 122.28 3ha1 s VAL 256 Ca 0.13 0.15 0.19 0.00 0.00 0.00 0.00 61.98 62.45 3ha1 s VAL 256 Cb -0.10 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.95 3ha1 s VAL 256 CO 0.04 -0.09 0.72 0.00 0.00 0.00 0.00 175.10 175.77 3ha1 n ALA 257 N 10.55 2.17 -3.09 5.51 0.00 0.57 -0.84 120.51 135.39 3ha1 n ALA 257 Ca 0.26 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 3ha1 n ALA 257 Cb 0.45 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 3ha1 n ALA 257 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ha1 s HIS 258 N -3.08 -0.13 -0.02 0.00 2.46 -1.04 -4.95 115.29 108.52 3ha1 s HIS 258 Ca -0.04 0.08 -0.06 0.00 0.47 0.00 0.00 55.06 55.51 3ha1 s HIS 258 Cb 0.10 0.10 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 3ha1 s HIS 258 CO 0.83 -0.46 0.12 -1.50 -2.47 0.00 0.00 174.74 171.26 3ha1 s ILE 259 N -2.12 0.05 0.16 0.89 2.07 -1.26 -0.55 121.20 120.45 3ha1 s ILE 259 Ca -0.08 -0.43 -0.23 0.00 -1.41 0.00 0.00 60.65 58.51 3ha1 s ILE 259 Cb -0.02 -0.32 0.07 0.00 0.13 0.00 0.00 42.46 42.31 3ha1 s ILE 259 CO -0.01 -0.23 0.60 -1.59 -1.91 0.00 0.00 174.94 171.80 3ha1 s LYS 260 N -0.79 1.29 -0.22 3.50 -2.85 -0.66 -5.00 119.74 115.01 3ha1 s LYS 260 Ca -0.09 -0.49 -0.12 0.00 -1.00 0.00 0.00 55.97 54.28 3ha1 s LYS 260 Cb -0.05 0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 36.26 3ha1 s LYS 260 CO 0.01 -0.56 0.23 -0.65 0.10 0.00 0.00 175.35 174.47 3ha1 s GLN 261 N -3.75 4.12 -0.17 1.78 -0.21 -1.26 -0.83 119.66 119.33 3ha1 s GLN 261 Ca 0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 55.36 55.26 3ha1 s GLN 261 Cb -0.01 -3.52 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 3ha1 s GLN 261 CO -0.13 0.06 -0.10 0.08 -2.12 0.00 0.00 175.29 173.09 3ha1 s VAL 262 N 1.03 3.11 0.72 1.09 1.01 0.87 -4.91 120.40 123.33 3ha1 s VAL 262 Ca 0.11 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3ha1 s VAL 262 Cb -0.14 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3ha1 s VAL 262 CO 0.05 0.49 0.98 2.30 0.00 0.00 0.00 175.10 178.92 3ha1 n ILE 263 N 4.11 2.85 -1.63 2.22 -5.35 -1.26 -1.42 119.36 118.87 3ha1 n ILE 263 Ca -0.18 -0.37 -0.48 0.00 -0.27 0.00 0.00 62.75 61.45 3ha1 n ILE 263 Cb 0.52 -1.11 -0.04 0.00 -1.74 0.00 0.00 39.64 37.26 3ha1 n ILE 263 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3ha1 n LYS 264 N -1.89 1.70 0.00 6.28 4.81 -1.21 -2.25 118.16 125.60 3ha1 n LYS 264 Ca 0.13 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3ha1 n LYS 264 Cb 0.49 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3ha1 n LYS 264 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ha1 n GLY 265 N 2.62 1.48 3.83 3.14 0.00 0.23 -4.95 105.19 111.53 3ha1 n GLY 265 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3ha1 n GLY 265 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ha1 s ASP 266 N -2.61 6.40 0.22 1.61 1.11 -0.96 -4.65 116.67 117.80 3ha1 s ASP 266 Ca 0.00 1.63 -0.10 0.00 0.18 0.00 0.00 52.55 54.26 3ha1 s ASP 266 Cb 0.00 -2.51 -0.07 0.00 1.07 0.00 0.00 42.92 41.40 3ha1 s ASP 266 CO 0.00 -0.74 0.55 -0.83 1.18 0.00 0.00 175.17 175.32 3ha1 s GLY 267 N -3.03 2.30 -0.14 0.21 0.00 -1.26 -2.05 107.32 103.34 3ha1 s GLY 267 Ca 0.60 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.07 3ha1 s GLY 267 CO 0.33 -0.11 -0.18 -0.42 0.00 0.00 0.00 173.10 172.72 3ha1 s ILE 268 N -1.77 1.81 0.08 0.90 -1.09 0.05 -4.99 121.20 116.18 3ha1 s ILE 268 Ca 0.46 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3ha1 s ILE 268 Cb -0.12 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 3ha1 s ILE 268 CO 0.21 0.50 0.00 -0.24 -1.23 0.00 0.00 174.94 174.18 3ha1 n SER 269 N 4.30 -3.67 -4.75 3.58 2.88 -1.26 -4.10 113.62 110.61 3ha1 n SER 269 Ca -0.19 0.38 -0.42 0.00 -1.33 0.00 0.00 58.87 57.31 3ha1 n SER 269 Cb 0.51 -1.06 -0.01 0.00 -0.75 0.00 0.00 64.21 62.90 3ha1 n SER 269 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3ha1 n TYR 270 N -1.79 2.86 -1.46 0.66 4.01 -1.26 -2.15 117.16 118.03 3ha1 n TYR 270 Ca 0.00 0.31 -0.16 0.00 -0.16 0.00 0.00 57.90 57.89 3ha1 n TYR 270 Cb 0.16 -2.58 -0.07 0.00 -0.31 0.00 0.00 39.34 36.54 3ha1 n TYR 270 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ha1 n ASN 271 N 1.76 -5.49 -4.04 7.72 4.13 -1.26 -3.65 115.26 114.43 3ha1 n ASN 271 Ca 0.07 0.39 -0.28 0.00 1.68 0.00 0.00 54.58 56.44 3ha1 n ASN 271 Cb 0.37 -4.38 -0.03 0.00 -1.54 0.00 0.00 39.78 34.20 3ha1 n ASN 271 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3ha1 n VAL 272 N -2.35 -2.46 1.19 2.41 0.31 -0.91 -4.81 118.33 111.72 3ha1 n VAL 272 Ca -0.16 -0.39 0.14 0.00 -0.01 0.00 0.00 64.34 63.92 3ha1 n VAL 272 Cb 0.62 -2.32 0.67 0.00 -0.91 0.00 0.00 33.84 31.90 3ha1 n VAL 272 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ha1 n THR 273 N -4.42 0.08 -4.05 2.52 -2.24 -1.24 -4.65 114.28 100.28 3ha1 n THR 273 Ca -0.23 0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 3ha1 n THR 273 Cb 0.65 -0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 68.17 3ha1 n THR 273 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ha1 s TYR 274 N -2.74 0.58 -0.01 4.78 5.04 -1.26 -4.88 117.35 118.87 3ha1 s TYR 274 Ca 0.21 -0.13 0.08 0.00 -2.44 0.00 0.00 57.07 54.80 3ha1 s TYR 274 Cb 0.19 -0.58 -0.02 0.00 0.35 0.00 0.00 41.96 41.89 3ha1 s TYR 274 CO 0.46 -0.18 -0.25 1.03 -1.34 0.00 0.00 175.55 175.27 3ha1 s ARG 275 N 1.03 2.07 0.47 4.97 0.52 -1.26 -0.77 118.95 125.97 3ha1 s ARG 275 Ca -0.10 -0.96 -0.23 0.00 -0.52 0.00 0.00 55.73 53.93 3ha1 s ARG 275 Cb -0.14 -2.04 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 3ha1 s ARG 275 CO -0.01 0.55 1.22 0.95 0.02 0.00 0.00 175.30 178.03 3ha1 s THR 276 N -0.66 2.85 -0.47 0.02 -4.23 -0.87 -4.85 115.64 107.44 3ha1 s THR 276 Ca 0.10 0.65 0.21 0.00 -1.18 0.00 0.00 61.69 61.47 3ha1 s THR 276 Cb -0.10 -3.33 -0.28 0.00 1.34 0.00 0.00 72.50 70.12 3ha1 s THR 276 CO -0.00 -0.00 0.66 0.29 -0.54 0.00 0.00 174.62 175.03 3ha1 n LYS 277 N -0.56 0.42 -2.32 3.99 5.02 -1.26 -0.60 118.16 122.84 3ha1 n LYS 277 Ca 0.08 -0.11 -0.03 0.00 -2.02 0.00 0.00 58.31 56.23 3ha1 n LYS 277 Cb 0.47 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3ha1 n LYS 277 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ha1 n THR 278 N -1.90 0.00 -1.97 -0.18 -2.24 -1.26 -4.79 114.28 101.94 3ha1 n THR 278 Ca -0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3ha1 n THR 278 Cb 0.45 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3ha1 n THR 278 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ha1 s GLU 279 N -2.22 3.15 0.01 -0.78 2.12 -1.26 -3.34 118.70 116.38 3ha1 s GLU 279 Ca 0.07 1.32 0.02 0.00 0.36 0.00 0.00 54.97 56.73 3ha1 s GLU 279 Cb 0.00 -4.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 3ha1 s GLU 279 CO 0.05 -2.08 0.01 -1.21 -0.54 0.00 0.00 175.26 171.49 3ha1 s GLU 280 N 6.04 2.79 -0.34 4.30 2.02 -0.51 -4.85 118.70 128.14 3ha1 s GLU 280 Ca 0.79 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 54.88 3ha1 s GLU 280 Cb -0.21 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.36 3ha1 s GLU 280 CO 0.31 0.61 0.99 -1.58 0.02 0.00 0.00 175.26 175.62 3ha1 s TRP 281 N -1.14 3.12 -0.19 1.61 0.52 -1.25 -0.09 118.94 121.52 3ha1 s TRP 281 Ca 0.21 0.98 -0.01 0.00 0.02 0.00 0.00 56.10 57.31 3ha1 s TRP 281 Cb -0.12 -3.65 0.00 0.00 -1.15 0.00 0.00 33.47 28.55 3ha1 s TRP 281 CO 0.12 -0.79 -0.13 0.42 0.02 0.00 0.00 176.95 176.60 3ha1 s ILE 282 N 3.55 2.72 0.13 2.03 -1.09 -0.01 -0.75 121.20 127.77 3ha1 s ILE 282 Ca 0.41 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3ha1 s ILE 282 Cb -0.12 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 3ha1 s ILE 282 CO 0.17 0.49 0.18 0.00 -1.23 0.00 0.00 174.94 174.55 3ha1 s ALA 283 N 1.19 3.75 0.02 9.38 0.00 0.01 -1.65 121.76 134.45 3ha1 s ALA 283 Ca 0.02 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.99 3ha1 s ALA 283 Cb -0.14 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 3ha1 s ALA 283 CO -0.05 0.61 -0.24 0.99 0.00 0.00 0.00 175.76 177.07 3ha1 s THR 284 N -1.64 2.29 0.10 0.00 2.01 0.29 -1.04 115.64 117.66 3ha1 s THR 284 Ca 0.32 -1.21 0.09 0.00 0.31 0.00 0.00 61.69 61.20 3ha1 s THR 284 Cb -0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3ha1 s THR 284 CO 0.25 0.45 -0.24 0.68 -0.69 0.00 0.00 174.62 175.07 3ha1 s VAL 285 N -0.75 2.00 -1.26 3.82 -7.23 -0.60 -0.31 120.40 116.06 3ha1 s VAL 285 Ca 0.12 -1.60 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 3ha1 s VAL 285 Cb -0.10 -1.77 0.18 0.00 0.56 0.00 0.00 36.38 35.24 3ha1 s VAL 285 CO 0.01 0.07 2.04 0.00 -0.31 0.00 0.00 175.10 176.92 3ha1 n ALA 286 N 1.14 6.01 -3.20 1.32 0.00 -1.26 -2.52 120.51 121.99 3ha1 n ALA 286 Ca -0.18 -4.30 -0.13 0.00 0.00 0.00 0.00 53.44 48.83 3ha1 n ALA 286 Cb 0.53 -2.76 -0.09 0.00 0.00 0.00 0.00 19.45 17.13 3ha1 n ALA 286 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3ha1 s ILE 287 N -0.97 0.06 0.00 0.00 2.07 -0.69 -4.75 121.20 116.91 3ha1 s ILE 287 Ca 0.45 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 3ha1 s ILE 287 Cb 0.14 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3ha1 s ILE 287 CO -0.04 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.33 3ha1 n GLY 288 N 1.42 2.84 0.27 1.50 0.00 -1.25 -2.37 105.19 107.60 3ha1 n GLY 288 Ca -0.21 -1.04 0.17 0.00 0.00 0.00 0.00 46.02 44.93 3ha1 n GLY 288 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ha1 h TYR 289 N 0.59 0.00 0.00 1.61 -0.00 -0.83 -0.93 116.97 117.41 3ha1 h TYR 289 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 3ha1 h TYR 289 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 3ha1 h TYR 289 CO 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.13 3ha1 h ALA 290 N 2.01 1.10 -0.01 0.10 0.00 -1.13 -1.32 119.26 120.00 3ha1 h ALA 290 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ha1 h ALA 290 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ha1 h ALA 290 CO 0.00 0.03 -0.17 -0.25 0.00 0.00 0.00 179.25 178.86 3ha1 n ASP 291 N -3.26 1.20 0.00 0.00 8.00 -0.37 -4.68 116.55 117.44 3ha1 n ASP 291 Ca -0.02 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3ha1 n ASP 291 Cb 0.16 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3ha1 n ASP 291 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ha1 n GLY 292 N 1.29 0.73 3.33 0.44 0.00 -0.50 -1.18 105.19 109.30 3ha1 n GLY 292 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 3ha1 n GLY 292 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ha1 s TRP 293 N -2.00 3.48 0.57 1.61 -0.11 -1.09 -4.79 118.94 116.63 3ha1 s TRP 293 Ca 0.00 -1.62 -0.03 0.00 1.22 0.00 0.00 56.10 55.66 3ha1 s TRP 293 Cb 0.00 -3.85 0.02 0.00 -1.50 0.00 0.00 33.47 28.14 3ha1 s TRP 293 CO 0.00 -1.05 0.85 -0.51 -4.62 0.00 0.00 176.95 171.62 3ha1 s LEU 294 N 1.01 3.25 0.46 5.86 1.43 -1.26 -2.27 118.68 127.16 3ha1 s LEU 294 Ca 0.12 0.45 0.12 0.00 -1.03 0.00 0.00 54.13 53.79 3ha1 s LEU 294 Cb -0.18 -3.26 1.06 0.00 0.03 0.00 0.00 46.19 43.84 3ha1 s LEU 294 CO -0.03 -1.10 2.10 0.03 0.23 0.00 0.00 176.35 177.58 3ha1 h ARG 295 N -0.09 0.25 0.00 1.70 3.08 -1.95 0.04 114.38 117.42 3ha1 h ARG 295 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3ha1 h ARG 295 Cb 1.27 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3ha1 h ARG 295 CO 0.58 0.18 0.00 2.89 -1.07 0.00 0.00 179.97 182.55 3ha1 n ARG 296 N -4.50 0.11 0.00 0.04 1.85 -1.26 -1.70 116.66 111.20 3ha1 n ARG 296 Ca -0.00 0.22 0.15 0.00 -1.00 0.00 0.00 57.85 57.22 3ha1 n ARG 296 Cb 0.08 -1.50 0.84 0.00 -1.05 0.00 0.00 32.46 30.84 3ha1 n ARG 296 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ha1 n LEU 297 N -1.30 0.21 -4.66 2.89 4.77 0.00 -4.75 117.00 114.17 3ha1 n LEU 297 Ca 0.04 -0.02 -0.47 0.00 -0.03 0.00 0.00 56.01 55.53 3ha1 n LEU 297 Cb 0.06 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3ha1 n LEU 297 CO 0.06 0.04 1.12 1.67 -1.33 0.00 0.00 177.39 178.95 3ha1 n GLN 298 N -0.90 2.00 0.00 3.23 7.27 -0.69 -0.82 117.38 127.47 3ha1 n GLN 298 Ca 0.21 0.72 0.00 0.00 0.07 0.00 0.00 57.00 58.00 3ha1 n GLN 298 Cb 0.17 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.37 3ha1 n GLN 298 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ha1 n GLY 299 N 3.08 2.18 3.77 1.69 0.00 -0.39 -5.00 105.19 110.52 3ha1 n GLY 299 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3ha1 n GLY 299 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ha1 s PHE 300 N -2.44 2.63 -0.25 1.61 5.36 0.00 -4.54 117.98 120.35 3ha1 s PHE 300 Ca 0.00 1.55 -0.09 0.00 -0.96 0.00 0.00 56.93 57.43 3ha1 s PHE 300 Cb 0.00 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 3ha1 s PHE 300 CO 0.00 -1.67 0.11 -1.21 -1.46 0.00 0.00 175.22 170.99 3ha1 s GLU 301 N -3.57 3.82 0.54 10.12 2.02 -1.26 -1.10 118.70 129.27 3ha1 s GLU 301 Ca 0.71 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.31 3ha1 s GLU 301 Cb -0.23 -3.42 0.11 0.00 0.10 0.00 0.00 34.13 30.68 3ha1 s GLU 301 CO 0.32 -0.10 0.75 1.33 0.02 0.00 0.00 175.26 177.58 3ha1 n VAL 302 N 4.71 0.00 -4.80 2.63 0.24 -0.32 -4.69 118.33 116.10 3ha1 n VAL 302 Ca -0.15 -1.21 -0.33 0.00 -2.04 0.00 0.00 64.34 60.61 3ha1 n VAL 302 Cb 0.52 -0.98 -0.15 0.00 -1.47 0.00 0.00 33.84 31.76 3ha1 n VAL 302 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ha1 s LEU 303 N 0.00 2.60 -0.05 1.34 1.43 -0.54 -1.09 118.68 122.36 3ha1 s LEU 303 Ca 0.50 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3ha1 s LEU 303 Cb -0.03 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3ha1 s LEU 303 CO 0.33 0.15 0.00 -0.69 0.23 0.00 0.00 176.35 176.37 3ha1 s VAL 304 N 0.42 0.27 -1.39 -1.59 1.01 -0.60 -0.76 120.40 117.77 3ha1 s VAL 304 Ca -0.11 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 3ha1 s VAL 304 Cb -0.16 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.86 3ha1 s VAL 304 CO 0.05 0.21 0.52 0.59 0.00 0.00 0.00 175.10 176.48 3ha1 n ASN 305 N 4.68 -4.68 0.00 3.32 3.02 -1.26 -1.32 115.26 119.02 3ha1 n ASN 305 Ca -0.15 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3ha1 n ASN 305 Cb 0.50 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 3ha1 n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ha1 n GLY 306 N -1.30 0.59 3.59 7.41 0.00 -1.26 -5.01 105.19 109.20 3ha1 n GLY 306 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3ha1 n GLY 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ha1 s LYS 307 N -0.16 2.70 -0.02 1.61 1.02 -0.43 -4.74 119.74 119.72 3ha1 s LYS 307 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 3ha1 s LYS 307 Cb 0.00 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 3ha1 s LYS 307 CO 0.00 0.65 1.26 1.03 -0.92 0.00 0.00 175.35 177.37 3ha1 s ARG 308 N -0.96 4.34 -0.05 1.68 1.81 -1.26 -1.55 118.95 122.97 3ha1 s ARG 308 Ca 0.14 1.78 -0.03 0.00 -1.72 0.00 0.00 55.73 55.89 3ha1 s ARG 308 Cb -0.11 -3.53 0.02 0.00 -0.45 0.00 0.00 34.95 30.88 3ha1 s ARG 308 CO 0.03 -0.46 0.12 0.14 -0.68 0.00 0.00 175.30 174.45 3ha1 s VAL 309 N 2.09 -0.02 0.34 3.52 -7.23 -0.25 -4.94 120.40 113.92 3ha1 s VAL 309 Ca 0.59 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.63 3ha1 s VAL 309 Cb -0.27 -0.18 -0.10 0.00 0.56 0.00 0.00 36.38 36.39 3ha1 s VAL 309 CO 0.24 0.02 0.81 -2.16 -0.31 0.00 0.00 175.10 173.70 3ha1 s PRO 310 N 0.39 4.13 -0.05 4.82 0.04 -1.26 -1.18 135.00 141.89 3ha1 s PRO 310 Ca -0.03 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 3ha1 s PRO 310 Cb -0.04 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 3ha1 s PRO 310 CO -0.02 0.14 1.27 0.42 0.04 0.00 0.00 177.00 178.85 3ha1 s ILE 311 N -1.97 4.08 0.02 0.56 1.01 -0.26 -2.02 121.20 122.62 3ha1 s ILE 311 Ca 0.55 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.69 3ha1 s ILE 311 Cb -0.11 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3ha1 s ILE 311 CO 0.17 -0.01 -0.21 0.68 0.00 0.00 0.00 174.94 175.57 3ha1 s VAL 312 N 2.40 2.55 0.21 2.92 -7.23 -0.05 -1.27 120.40 119.93 3ha1 s VAL 312 Ca 0.58 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 3ha1 s VAL 312 Cb -0.27 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.65 3ha1 s VAL 312 CO 0.23 0.41 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 3ha1 n GLY 313 N 1.83 -2.03 3.77 2.32 0.00 -1.26 -4.07 105.19 105.74 3ha1 n GLY 313 Ca -0.16 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 3ha1 n GLY 313 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ha1 s ARG 314 N -2.25 4.30 0.25 1.61 1.81 -1.26 -4.84 118.95 118.58 3ha1 s ARG 314 Ca 0.00 2.28 -0.30 0.00 -1.72 0.00 0.00 55.73 55.99 3ha1 s ARG 314 Cb 0.00 -3.07 -0.09 0.00 -0.45 0.00 0.00 34.95 31.34 3ha1 s ARG 314 CO 0.00 -0.28 1.21 0.08 -0.68 0.00 0.00 175.30 175.62 3ha1 s VAL 315 N -0.89 3.31 0.53 3.52 1.01 -1.26 -4.62 120.40 122.00 3ha1 s VAL 315 Ca 0.52 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.75 3ha1 s VAL 315 Cb -0.41 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3ha1 s VAL 315 CO 0.52 0.24 0.33 0.42 0.00 0.00 0.00 175.10 176.61 3ha1 s THR 316 N -0.59 1.60 0.49 3.92 -4.23 -0.26 -4.82 115.64 111.74 3ha1 s THR 316 Ca 0.50 -1.58 0.19 0.00 -1.18 0.00 0.00 61.69 59.62 3ha1 s THR 316 Cb -0.34 -2.18 0.35 0.00 1.34 0.00 0.00 72.50 71.67 3ha1 s THR 316 CO 0.42 0.00 2.01 -0.03 -0.54 0.00 0.00 174.62 176.47 3ha1 h MET 317 N 0.87 0.17 0.00 3.99 4.05 -1.94 -2.13 114.93 119.94 3ha1 h MET 317 Ca -0.38 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3ha1 h MET 317 Cb 1.30 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3ha1 h MET 317 CO 0.60 0.11 0.00 -0.25 0.23 0.00 0.00 176.91 177.61 3ha1 n ASP 318 N -4.44 0.21 -3.70 1.39 8.00 -1.26 -0.63 116.55 116.11 3ha1 n ASP 318 Ca 0.08 -0.68 -0.13 0.00 0.71 0.00 0.00 54.79 54.77 3ha1 n ASP 318 Cb 0.44 0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 3ha1 n ASP 318 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ha1 s GLN 319 N -0.13 0.82 0.14 -1.24 -0.21 -1.00 -1.71 119.66 116.34 3ha1 s GLN 319 Ca 0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 55.36 55.04 3ha1 s GLN 319 Cb 0.00 0.37 -0.02 0.00 1.00 0.00 0.00 33.01 34.36 3ha1 s GLN 319 CO 0.00 -0.26 0.21 -0.59 -2.12 0.00 0.00 175.29 172.53 3ha1 s PHE 320 N -1.96 0.47 0.18 0.91 -0.71 -1.05 -1.11 117.98 114.71 3ha1 s PHE 320 Ca -0.09 -0.85 0.09 0.00 -1.04 0.00 0.00 56.93 55.04 3ha1 s PHE 320 Cb -0.02 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 3ha1 s PHE 320 CO 0.01 -0.64 -0.11 -1.64 -1.34 0.00 0.00 175.22 171.50 3ha1 s MET 321 N -3.97 2.00 -0.00 1.99 -1.94 -1.26 -1.56 119.30 114.56 3ha1 s MET 321 Ca 0.17 -1.29 0.03 0.00 -1.71 0.00 0.00 55.69 52.89 3ha1 s MET 321 Cb 0.05 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 3ha1 s MET 321 CO -0.01 0.43 -0.08 0.42 -0.01 0.00 0.00 175.02 175.77 3ha1 s ILE 322 N -1.68 0.64 -0.40 2.53 1.01 -0.20 -0.87 121.20 122.22 3ha1 s ILE 322 Ca 0.24 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 3ha1 s ILE 322 Cb -0.09 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.85 3ha1 s ILE 322 CO 0.14 0.14 0.55 -2.28 0.00 0.00 0.00 174.94 173.49 3ha1 s HIS 323 N -0.27 3.13 0.14 3.97 5.65 -0.86 -0.81 115.29 126.24 3ha1 s HIS 323 Ca 0.02 -0.05 -0.04 0.00 0.25 0.00 0.00 55.06 55.24 3ha1 s HIS 323 Cb -0.04 -3.09 -0.05 0.00 -1.18 0.00 0.00 32.58 28.22 3ha1 s HIS 323 CO -0.00 -0.71 0.36 -0.51 -0.65 0.00 0.00 174.74 173.23 3ha1 s LEU 324 N 2.51 4.27 0.47 8.88 1.43 0.07 -4.13 118.68 132.19 3ha1 s LEU 324 Ca 0.19 0.56 0.27 0.00 -1.03 0.00 0.00 54.13 54.12 3ha1 s LEU 324 Cb -0.15 -3.29 1.00 0.00 0.03 0.00 0.00 46.19 43.78 3ha1 s LEU 324 CO 0.16 0.06 1.85 1.55 0.23 0.00 0.00 176.35 180.20 3ha1 h PRO 325 N 2.82 0.00 -3.81 1.29 0.13 -1.97 -3.33 132.00 127.13 3ha1 h PRO 325 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 3ha1 h PRO 325 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 3ha1 h PRO 325 CO 0.73 0.15 -0.51 0.00 -0.23 0.00 0.00 178.00 178.14 3ha1 n GLU 327 N 0.65 2.57 -4.40 0.00 2.13 -1.26 -4.96 120.64 115.37 3ha1 n GLU 327 Ca -0.18 0.91 -0.20 0.00 0.66 0.00 0.00 57.16 58.34 3ha1 n GLU 327 Cb 0.59 -2.63 -0.10 0.00 0.27 0.00 0.00 31.44 29.56 3ha1 n GLU 327 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3ha1 s VAL 328 N -0.66 1.52 0.60 6.31 -7.23 -1.26 -5.15 120.40 114.53 3ha1 s VAL 328 Ca 0.58 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 3ha1 s VAL 328 Cb -0.51 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 3ha1 s VAL 328 CO 0.57 -0.33 1.08 -2.84 -0.31 0.00 0.00 175.10 173.28 3ha1 s PRO 329 N -3.75 3.21 0.46 4.82 0.02 -1.26 -4.94 135.00 133.56 3ha1 s PRO 329 Ca 0.29 1.33 -0.25 0.00 0.02 0.00 0.00 61.00 62.39 3ha1 s PRO 329 Cb 0.04 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3ha1 s PRO 329 CO 0.11 -0.91 1.39 -0.51 -0.33 0.00 0.00 177.00 176.75 3ha1 s LEU 330 N -4.42 4.09 0.00 -5.54 1.43 -1.26 -2.41 118.68 110.56 3ha1 s LEU 330 Ca 0.66 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.61 3ha1 s LEU 330 Cb -0.18 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.05 3ha1 s LEU 330 CO 0.35 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3ha1 n GLY 331 N 0.61 0.54 3.72 -3.19 0.00 -0.02 -4.96 105.19 101.89 3ha1 n GLY 331 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3ha1 n GLY 331 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ha1 s THR 332 N -2.25 3.45 0.26 2.61 2.01 -1.01 -4.54 115.64 116.16 3ha1 s THR 332 Ca 0.00 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 3ha1 s THR 332 Cb 0.00 -3.70 -0.11 0.00 0.01 0.00 0.00 72.50 68.71 3ha1 s THR 332 CO 0.00 0.11 1.55 -0.75 -0.69 0.00 0.00 174.62 174.84 3ha1 s LYS 333 N 0.68 4.18 -0.10 4.92 2.20 -1.26 -0.78 119.74 129.57 3ha1 s LYS 333 Ca 0.60 2.47 0.02 0.00 -0.36 0.00 0.00 55.97 58.71 3ha1 s LYS 333 Cb -0.35 -3.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 3ha1 s LYS 333 CO 0.32 -0.57 -0.17 0.08 -0.36 0.00 0.00 175.35 174.65 3ha1 s VAL 334 N 0.15 1.61 -0.15 4.02 1.01 0.43 -4.36 120.40 123.10 3ha1 s VAL 334 Ca 0.63 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3ha1 s VAL 334 Cb -0.46 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3ha1 s VAL 334 CO 0.44 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 175.02 3ha1 s THR 335 N 0.76 3.29 -0.22 3.92 2.01 0.06 -0.63 115.64 124.82 3ha1 s THR 335 Ca -0.11 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 3ha1 s THR 335 Cb -0.16 -2.41 -0.14 0.00 0.01 0.00 0.00 72.50 69.80 3ha1 s THR 335 CO 0.02 0.50 -0.22 0.18 -0.69 0.00 0.00 174.62 174.41 3ha1 n LEU 336 N 3.72 2.74 -3.93 4.42 4.32 0.27 -1.47 117.00 127.07 3ha1 n LEU 336 Ca -0.18 -0.04 -0.25 0.00 -0.02 0.00 0.00 56.01 55.52 3ha1 n LEU 336 Cb 0.52 -0.76 -0.17 0.00 -1.62 0.00 0.00 43.42 41.39 3ha1 n LEU 336 CO 0.31 0.81 -0.44 -0.63 -1.22 0.00 0.00 177.39 176.21 3ha1 s ILE 337 N -2.44 0.94 -2.97 -0.08 1.01 -1.04 -4.88 121.20 111.74 3ha1 s ILE 337 Ca -0.30 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3ha1 s ILE 337 Cb 0.09 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.63 3ha1 s ILE 337 CO 0.49 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.38 3ha1 n GLY 338 N 4.43 0.78 3.64 6.18 0.00 -0.27 -0.14 105.19 119.82 3ha1 n GLY 338 Ca -0.18 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 3ha1 n GLY 338 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ha1 s ARG 339 N -1.19 3.04 -0.20 1.61 3.52 -1.26 -1.19 118.95 123.28 3ha1 s ARG 339 Ca 0.00 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 3ha1 s ARG 339 Cb 0.00 -2.77 0.06 0.00 -1.56 0.00 0.00 34.95 30.68 3ha1 s ARG 339 CO 0.00 0.63 0.03 -0.65 -0.81 0.00 0.00 175.30 174.50 3ha1 s GLN 340 N -0.68 0.72 7.12 5.12 -0.21 -0.41 -5.01 119.66 126.32 3ha1 s GLN 340 Ca 0.11 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 55.00 3ha1 s GLN 340 Cb -0.12 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.75 3ha1 s GLN 340 CO 0.02 -0.65 0.00 0.41 -2.12 0.00 0.00 175.29 172.95 3ha1 n GLY 341 N 5.02 2.12 0.06 3.09 0.00 -1.26 -2.13 105.19 112.09 3ha1 n GLY 341 Ca -0.09 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.69 3ha1 n GLY 341 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ha1 n ASP 342 N 6.29 0.56 -4.85 1.61 8.00 -1.26 -4.89 116.55 122.01 3ha1 n ASP 342 Ca 0.00 0.37 -0.35 0.00 0.71 0.00 0.00 54.79 55.52 3ha1 n ASP 342 Cb 0.00 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 3ha1 n ASP 342 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ha1 s GLU 343 N -3.08 3.90 -0.09 -1.24 0.41 -0.91 -5.08 118.70 112.61 3ha1 s GLU 343 Ca 0.11 0.38 -0.04 0.00 -0.41 0.00 0.00 54.97 55.01 3ha1 s GLU 343 Cb 0.15 -2.90 0.05 0.00 -1.78 0.00 0.00 34.13 29.64 3ha1 s GLU 343 CO 0.62 0.47 0.19 -0.47 -0.49 0.00 0.00 175.26 175.58 3ha1 s TYR 344 N -1.50 -0.25 -0.31 1.61 5.04 -1.26 -1.28 117.35 119.39 3ha1 s TYR 344 Ca 0.38 0.69 -0.10 0.00 -2.44 0.00 0.00 57.07 55.60 3ha1 s TYR 344 Cb -0.14 -0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.02 3ha1 s TYR 344 CO 0.19 -0.26 0.17 0.42 -1.34 0.00 0.00 175.55 174.73 3ha1 s ILE 345 N 1.96 4.81 0.44 3.14 1.01 -0.34 -4.97 121.20 127.26 3ha1 s ILE 345 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 3ha1 s ILE 345 Cb -0.12 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3ha1 s ILE 345 CO -0.07 0.09 0.76 -0.94 0.00 0.00 0.00 174.94 174.78 3ha1 s SER 346 N 1.65 6.36 0.47 3.58 1.04 -1.26 -1.11 113.70 124.43 3ha1 s SER 346 Ca 0.05 0.97 0.14 0.00 0.48 0.00 0.00 55.95 57.59 3ha1 s SER 346 Cb -0.17 -2.26 1.12 0.00 0.10 0.00 0.00 66.02 64.81 3ha1 s SER 346 CO 0.07 -0.49 2.07 0.00 0.98 0.00 0.00 173.24 175.87 3ha1 h ALA 347 N 0.66 1.99 -0.54 5.32 0.00 -1.94 -1.78 119.26 122.98 3ha1 h ALA 347 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3ha1 h ALA 347 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3ha1 h ALA 347 CO 0.63 -0.04 0.23 1.15 0.00 0.00 0.00 179.25 181.21 3ha1 h THR 348 N 0.25 1.21 -0.61 0.00 2.02 -1.92 0.65 112.91 114.51 3ha1 h THR 348 Ca 0.14 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3ha1 h THR 348 Cb 0.23 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3ha1 h THR 348 CO -0.03 0.25 0.22 -0.08 0.37 0.00 0.00 175.52 176.25 3ha1 h GLU 349 N 0.72 0.92 -0.44 6.66 4.81 -1.71 0.51 114.58 126.05 3ha1 h GLU 349 Ca 0.18 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3ha1 h GLU 349 Cb 0.17 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3ha1 h GLU 349 CO -0.02 0.80 0.26 0.28 -0.73 0.00 0.00 179.01 179.60 3ha1 h VAL 350 N 0.85 1.15 -0.43 0.32 2.07 -1.35 -1.89 116.25 116.96 3ha1 h VAL 350 Ca 0.20 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ha1 h VAL 350 Cb 0.24 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3ha1 h VAL 350 CO -0.01 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.00 3ha1 h ALA 351 N 1.11 0.55 -0.88 1.67 0.00 -0.49 -1.62 119.26 119.60 3ha1 h ALA 351 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ha1 h ALA 351 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3ha1 h ALA 351 CO -0.03 0.03 0.48 0.93 0.00 0.00 0.00 179.25 180.66 3ha1 h GLU 352 N 0.58 1.23 -0.66 0.00 5.08 -0.77 0.17 114.58 120.21 3ha1 h GLU 352 Ca 0.16 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3ha1 h GLU 352 Cb -0.03 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 3ha1 h GLU 352 CO -0.03 0.89 0.15 -0.92 -1.00 0.00 0.00 179.01 178.10 3ha1 h TYR 353 N 1.23 1.10 0.00 4.33 3.20 -1.19 -2.56 116.97 123.08 3ha1 h TYR 353 Ca 0.31 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3ha1 h TYR 353 Cb 0.03 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3ha1 h TYR 353 CO 0.01 0.90 0.00 0.43 -1.64 0.00 0.00 178.16 177.86 3ha1 n SER 354 N -4.24 0.00 -1.41 -2.11 7.64 -0.62 -4.92 113.62 107.97 3ha1 n SER 354 Ca 0.05 0.21 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 3ha1 n SER 354 Cb 0.26 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.08 3ha1 n SER 354 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ha1 n GLY 355 N 0.94 0.14 0.00 0.23 0.00 -0.33 -5.00 105.19 101.16 3ha1 n GLY 355 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3ha1 n GLY 355 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ha1 n THR 356 N -3.81 0.00 -4.44 2.61 5.66 0.46 -5.02 114.28 109.73 3ha1 n THR 356 Ca -0.06 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.72 3ha1 n THR 356 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 3ha1 n THR 356 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3ha1 s ILE 357 N -0.26 2.15 0.35 1.09 -4.36 -1.26 -4.11 121.20 114.80 3ha1 s ILE 357 Ca 0.00 -2.29 0.02 0.00 -0.26 0.00 0.00 60.65 58.12 3ha1 s ILE 357 Cb 0.00 -2.30 0.25 0.00 1.25 0.00 0.00 42.46 41.66 3ha1 s ILE 357 CO 0.00 -0.41 2.00 -0.55 0.24 0.00 0.00 174.94 176.22 3ha1 h ASN 358 N 2.31 0.70 -0.70 4.36 7.08 -1.88 -1.58 115.58 125.87 3ha1 h ASN 358 Ca -0.40 -0.03 0.15 0.00 -3.08 0.00 0.00 56.30 52.94 3ha1 h ASN 358 Cb 1.24 -0.18 -0.10 0.00 -2.08 0.00 0.00 38.32 37.20 3ha1 h ASN 358 CO 0.63 0.53 0.15 1.88 -2.08 0.00 0.00 177.43 178.54 3ha1 h TYR 359 N 0.82 0.23 -0.02 4.14 -1.99 -1.95 -1.76 116.97 116.45 3ha1 h TYR 359 Ca 0.22 0.04 -0.19 0.00 2.00 0.00 0.00 58.73 60.80 3ha1 h TYR 359 Cb -0.05 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3ha1 h TYR 359 CO 0.00 -0.08 -0.82 1.49 -0.00 0.00 0.00 178.16 178.75 3ha1 h GLU 360 N 0.26 0.24 0.24 4.88 4.81 -1.71 -2.29 114.58 121.00 3ha1 h GLU 360 Ca 0.39 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3ha1 h GLU 360 Cb 0.65 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3ha1 h GLU 360 CO -0.49 0.94 -0.11 0.82 -0.73 0.00 0.00 179.01 179.43 3ha1 h ILE 361 N 0.15 0.81 -0.42 2.32 1.08 -1.18 -2.67 117.51 117.59 3ha1 h ILE 361 Ca -0.04 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3ha1 h ILE 361 Cb 1.43 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 3ha1 h ILE 361 CO 0.13 0.06 0.08 0.16 -0.69 0.00 0.00 178.15 177.90 3ha1 h ILE 362 N -0.46 1.24 0.00 -0.67 3.07 -1.40 -3.23 117.51 116.06 3ha1 h ILE 362 Ca -0.03 -0.85 -0.06 0.00 1.55 0.00 0.00 64.86 65.46 3ha1 h ILE 362 Cb 0.35 0.98 -0.01 0.00 -0.27 0.00 0.00 36.82 37.87 3ha1 h ILE 362 CO 0.05 0.29 -0.31 0.74 -1.05 0.00 0.00 178.15 177.88 3ha1 h THR 363 N 0.55 0.73 -0.45 0.16 2.02 -1.39 -3.12 112.91 111.41 3ha1 h THR 363 Ca 0.13 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3ha1 h THR 363 Cb 0.35 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3ha1 h THR 363 CO 0.01 0.30 0.00 0.35 0.37 0.00 0.00 175.52 176.55 3ha1 n THR 364 N -3.46 0.85 -2.25 3.16 -2.24 -1.01 -4.35 114.28 104.97 3ha1 n THR 364 Ca 0.00 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 3ha1 n THR 364 Cb 0.48 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 3ha1 n THR 364 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ha1 s ILE 365 N -1.52 3.90 0.62 2.28 1.01 -1.18 -4.08 121.20 122.23 3ha1 s ILE 365 Ca 0.32 1.02 -0.18 0.00 0.00 0.00 0.00 60.65 61.81 3ha1 s ILE 365 Cb 0.18 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3ha1 s ILE 365 CO 0.19 -0.35 1.20 -0.55 0.00 0.00 0.00 174.94 175.43 3ha1 s SER 366 N 3.50 5.04 0.15 3.58 0.15 -0.33 -4.89 113.70 120.90 3ha1 s SER 366 Ca 0.64 2.36 0.09 0.00 0.70 0.00 0.00 55.95 59.75 3ha1 s SER 366 Cb -0.22 -2.59 0.51 0.00 -1.71 0.00 0.00 66.02 62.01 3ha1 s SER 366 CO 0.26 -1.69 1.27 2.22 1.20 0.00 0.00 173.24 176.50 3ha1 n PHE 367 N -1.81 0.32 0.25 3.44 -0.00 -1.26 -0.97 117.46 117.43 3ha1 n PHE 367 Ca 0.13 0.17 0.12 0.00 -0.00 0.00 0.00 57.45 57.88 3ha1 n PHE 367 Cb 0.50 -0.74 0.67 0.00 -0.00 0.00 0.00 39.48 39.90 3ha1 n PHE 367 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ha1 h ARG 368 N 0.00 0.00 -5.40 3.97 3.08 -1.90 -3.37 114.38 110.76 3ha1 h ARG 368 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3ha1 h ARG 368 Cb 0.06 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.99 3ha1 h ARG 368 CO 0.00 0.14 -0.25 0.08 -1.07 0.00 0.00 179.97 178.87 3ha1 s VAL 369 N -4.01 5.23 0.44 2.04 1.01 -0.14 -4.89 120.40 120.07 3ha1 s VAL 369 Ca -0.02 0.64 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 3ha1 s VAL 369 Cb 0.12 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 3ha1 s VAL 369 CO 0.59 0.28 1.25 -2.84 0.00 0.00 0.00 175.10 174.37 3ha1 s PRO 370 N 1.19 3.79 -0.16 2.72 0.02 -1.26 -4.79 135.00 136.51 3ha1 s PRO 370 Ca 0.18 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 3ha1 s PRO 370 Cb -0.14 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 3ha1 s PRO 370 CO 0.07 -0.59 0.08 1.03 -0.33 0.00 0.00 177.00 177.26 3ha1 s ARG 371 N -2.49 3.76 -0.15 5.54 3.00 -0.26 -0.74 118.95 127.62 3ha1 s ARG 371 Ca 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 55.73 56.04 3ha1 s ARG 371 Cb -0.34 -3.18 -0.02 0.00 0.00 0.00 0.00 34.95 31.41 3ha1 s ARG 371 CO 0.43 0.44 -0.11 0.42 0.00 0.00 0.00 175.30 176.48 3ha1 s ILE 372 N -0.10 3.20 -0.18 1.52 1.01 0.41 -0.55 121.20 126.51 3ha1 s ILE 372 Ca 0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3ha1 s ILE 372 Cb -0.12 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3ha1 s ILE 372 CO 0.01 0.51 0.00 -0.36 0.00 0.00 0.00 174.94 175.10 3ha1 s PHE 373 N 0.50 3.08 -0.12 3.97 0.08 -0.04 -0.43 117.98 125.02 3ha1 s PHE 373 Ca -0.08 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.70 3ha1 s PHE 373 Cb -0.15 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 3ha1 s PHE 373 CO 0.04 -0.08 -0.12 0.42 -0.10 0.00 0.00 175.22 175.38 3ha1 s ILE 374 N 0.64 3.13 -0.05 0.64 -1.09 -0.21 -1.15 121.20 123.11 3ha1 s ILE 374 Ca -0.00 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 3ha1 s ILE 374 Cb -0.14 -2.30 0.04 0.00 -1.58 0.00 0.00 42.46 38.47 3ha1 s ILE 374 CO 0.02 0.53 0.09 -0.60 -1.23 0.00 0.00 174.94 173.76 3ha1 s ARG 375 N 0.16 -0.02 -1.69 2.79 6.06 -0.62 -0.16 118.95 125.47 3ha1 s ARG 375 Ca -0.07 0.39 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 3ha1 s ARG 375 Cb -0.15 -0.34 0.00 0.00 0.06 0.00 0.00 34.95 34.52 3ha1 s ARG 375 CO 0.05 -0.27 0.00 0.09 -2.50 0.00 0.00 175.30 172.67 3ha1 n ASN 376 N 4.93 -5.43 0.00 -2.12 3.02 -1.26 -2.06 115.26 112.34 3ha1 n ASN 376 Ca -0.12 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3ha1 n ASN 376 Cb 0.50 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 3ha1 n ASN 376 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ha1 n GLY 377 N -0.88 1.41 3.77 7.41 0.00 -1.26 -5.04 105.19 110.60 3ha1 n GLY 377 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 3ha1 n GLY 377 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ha1 s LYS 378 N -0.15 2.81 -0.05 1.61 0.00 -0.87 -5.06 119.74 118.02 3ha1 s LYS 378 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 55.97 54.81 3ha1 s LYS 378 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 37.83 35.18 3ha1 s LYS 378 CO 0.00 0.50 1.20 0.08 0.00 0.00 0.00 175.35 177.14 3ha1 s VAL 379 N -1.64 4.24 -0.02 1.79 1.01 -1.26 -1.59 120.40 122.92 3ha1 s VAL 379 Ca 0.30 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.96 3ha1 s VAL 379 Cb -0.11 -4.01 -0.18 0.00 0.00 0.00 0.00 36.38 32.09 3ha1 s VAL 379 CO 0.22 0.01 0.24 1.33 0.00 0.00 0.00 175.10 176.89 3ha1 n VAL 380 N 4.58 0.07 -3.56 2.92 0.24 -0.30 -4.96 118.33 117.31 3ha1 n VAL 380 Ca 0.11 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 3ha1 n VAL 380 Cb 0.46 0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 3ha1 n VAL 380 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3ha1 s GLU 381 N -2.76 0.86 -0.07 7.34 2.02 -1.23 -5.03 118.70 119.83 3ha1 s GLU 381 Ca -0.04 0.36 0.04 0.00 0.02 0.00 0.00 54.97 55.34 3ha1 s GLU 381 Cb 0.07 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.71 3ha1 s GLU 381 CO 0.48 -0.24 -0.18 0.08 0.02 0.00 0.00 175.26 175.42 3ha1 s VAL 382 N -0.83 1.57 -0.21 2.63 1.01 -1.26 -0.86 120.40 122.44 3ha1 s VAL 382 Ca -0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3ha1 s VAL 382 Cb -0.01 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3ha1 s VAL 382 CO 0.05 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 3ha1 s ILE 383 N 0.33 2.68 -0.48 2.22 1.01 0.28 -4.71 121.20 122.55 3ha1 s ILE 383 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3ha1 s ILE 383 Cb -0.15 -2.22 0.13 0.00 0.01 0.00 0.00 42.46 40.22 3ha1 s ILE 383 CO 0.05 0.42 0.25 0.21 0.00 0.00 0.00 174.94 175.87 3ha1 s ASN 384 N 1.36 4.96 0.53 3.58 3.84 -1.26 -1.10 114.94 126.85 3ha1 s ASN 384 Ca 0.04 -2.48 0.22 0.00 0.21 0.00 0.00 52.86 50.85 3ha1 s ASN 384 Cb -0.14 -1.76 1.38 0.00 -0.55 0.00 0.00 41.25 40.19 3ha1 s ASN 384 CO -0.08 -0.40 2.08 1.88 -2.79 0.00 0.00 177.10 177.79 3ha1 h TYR 385 N 7.36 0.00 -0.64 0.43 0.99 -1.87 -1.22 116.97 122.02 3ha1 h TYR 385 Ca -0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3ha1 h TYR 385 Cb 0.98 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.68 3ha1 h TYR 385 CO 0.57 0.00 0.37 -0.07 -0.00 0.00 0.00 178.16 179.03 3ha1 h LEU 386 N 0.00 0.77 -2.21 3.88 3.38 -1.91 -2.46 115.31 116.76 3ha1 h LEU 386 Ca 0.12 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3ha1 h LEU 386 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ha1 h LEU 386 CO -0.00 0.60 0.26 0.78 0.09 0.00 0.00 178.44 180.18 3ha1 h ASN 387 N 0.88 0.00 -0.00 -0.43 4.21 -1.57 -2.90 115.58 115.77 3ha1 h ASN 387 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3ha1 h ASN 387 Cb -0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 3ha1 h ASN 387 CO -0.04 0.00 -0.83 0.47 -1.29 0.00 0.00 177.43 175.74 3ha1 n ASP 388 N -3.38 0.96 0.00 5.81 8.00 -0.93 -5.13 116.55 121.88 3ha1 n ASP 388 Ca 0.01 -0.98 0.03 0.00 0.71 0.00 0.00 54.79 54.55 3ha1 n ASP 388 Cb 0.37 0.95 0.15 0.00 -0.02 0.00 0.00 41.12 42.57 3ha1 n ASP 388 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43