#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if5 s ARG 2 N 0.00 3.04 0.06 3.17 1.70 -1.26 -5.07 118.95 120.59 3if5 s ARG 2 Ca 0.00 -0.66 -0.31 0.00 -0.47 0.00 0.00 55.73 54.29 3if5 s ARG 2 Cb 0.00 -2.79 -0.07 0.00 -0.57 0.00 0.00 34.95 31.52 3if5 s ARG 2 CO 0.00 0.56 1.36 -1.58 -1.08 0.00 0.00 175.30 174.56 3if5 s HIS 3 N -1.50 3.13 0.25 5.89 5.65 -1.26 -4.94 115.29 122.51 3if5 s HIS 3 Ca 0.31 0.96 0.22 0.00 0.25 0.00 0.00 55.06 56.80 3if5 s HIS 3 Cb -0.12 -3.63 0.98 0.00 -1.18 0.00 0.00 32.58 28.63 3if5 s HIS 3 CO 0.24 -2.22 1.87 -1.00 -0.65 0.00 0.00 174.74 172.98 3if5 h PRO 4 N 7.19 0.00 0.18 2.88 0.13 -2.01 -3.34 132.00 137.03 3if5 h PRO 4 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3if5 h PRO 4 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3if5 h PRO 4 CO 0.87 0.26 -0.09 0.82 -0.23 0.00 0.00 178.00 179.63 3if5 h ILE 5 N 0.00 0.84 -0.12 -3.56 5.03 -1.99 -0.87 117.51 116.84 3if5 h ILE 5 Ca -0.00 -0.06 0.03 0.00 -0.12 0.00 0.00 64.86 64.71 3if5 h ILE 5 Cb 0.67 0.88 -0.00 0.00 -3.03 0.00 0.00 36.82 35.33 3if5 h ILE 5 CO 0.03 0.01 0.15 1.55 -0.68 0.00 0.00 178.15 179.22 3if5 h PRO 6 N -0.27 0.00 0.09 2.37 0.13 -1.87 0.12 132.00 132.57 3if5 h PRO 6 Ca -0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.84 3if5 h PRO 6 Cb 0.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.35 3if5 h PRO 6 CO 0.04 0.00 -1.15 -0.44 -0.23 0.00 0.00 178.00 176.22 3if5 h ASP 7 N 0.00 0.60 -0.48 1.44 3.32 -1.57 -1.72 116.42 118.01 3if5 h ASP 7 Ca 0.05 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3if5 h ASP 7 Cb 0.36 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3if5 h ASP 7 CO -0.00 1.39 0.25 0.22 -1.72 0.00 0.00 179.24 179.38 3if5 h TYR 8 N 0.19 0.67 -0.92 4.55 3.20 0.55 -1.37 116.97 123.85 3if5 h TYR 8 Ca -0.13 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.72 3if5 h TYR 8 Cb 1.82 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.84 3if5 h TYR 8 CO 0.08 0.52 0.61 -0.07 -1.64 0.00 0.00 178.16 177.65 3if5 h LEU 9 N 0.63 1.05 -1.28 2.82 3.38 -0.97 -1.51 115.31 119.44 3if5 h LEU 9 Ca 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3if5 h LEU 9 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3if5 h LEU 9 CO -0.02 0.76 0.46 0.00 0.09 0.00 0.00 178.44 179.72 3if5 h ALA 10 N 1.34 1.47 -0.26 1.53 0.00 -0.74 -1.47 119.26 121.13 3if5 h ALA 10 Ca 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3if5 h ALA 10 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3if5 h ALA 10 CO -0.08 0.48 0.03 0.77 0.00 0.00 0.00 179.25 180.45 3if5 h SER 11 N 0.97 0.43 -0.84 0.00 0.02 -0.29 -2.39 113.55 111.44 3if5 h SER 11 Ca 0.26 -0.28 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3if5 h SER 11 Cb -0.09 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.27 3if5 h SER 11 CO -0.05 0.60 0.51 -0.07 -1.14 0.00 0.00 176.83 176.67 3if5 h LEU 12 N 0.24 0.77 -0.99 5.07 3.38 -0.78 0.30 115.31 123.29 3if5 h LEU 12 Ca 0.08 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3if5 h LEU 12 Cb 0.37 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3if5 h LEU 12 CO 0.01 0.47 0.65 0.58 0.09 0.00 0.00 178.44 180.24 3if5 h VAL 13 N 0.89 1.23 -0.07 1.22 2.07 -1.06 0.18 116.25 120.71 3if5 h VAL 13 Ca 0.38 -0.45 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 3if5 h VAL 13 Cb 0.25 -0.20 0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3if5 h VAL 13 CO -0.20 0.24 -0.89 0.74 0.02 0.00 0.00 177.57 177.48 3if5 h THR 14 N 1.32 1.28 0.40 2.57 2.02 -0.69 -0.32 112.91 119.49 3if5 h THR 14 Ca 0.37 -2.10 -0.02 0.00 0.77 0.00 0.00 66.41 65.43 3if5 h THR 14 Cb -0.11 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3if5 h THR 14 CO -0.09 0.66 -0.19 -0.08 0.37 0.00 0.00 175.52 176.18 3if5 h GLU 15 N 0.44 -0.52 0.00 6.66 4.81 -0.18 -2.99 114.58 122.81 3if5 h GLU 15 Ca -0.09 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3if5 h GLU 15 Cb 1.54 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 3if5 h GLU 15 CO 0.18 -0.34 -0.19 -0.07 -0.73 0.00 0.00 179.01 177.85 3if5 h LEU 16 N -0.88 0.00 0.00 1.64 3.38 -0.81 -1.96 115.31 116.69 3if5 h LEU 16 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3if5 h LEU 16 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3if5 h LEU 16 CO 0.09 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.42 3if5 n GLY 17 N -0.65 -1.02 0.24 0.83 0.00 -0.13 -3.38 105.19 101.08 3if5 n GLY 17 Ca -0.02 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 45.98 3if5 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if5 h ALA 18 N 3.83 1.00 -2.23 4.61 0.00 -1.19 -3.44 119.26 121.84 3if5 h ALA 18 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3if5 h ALA 18 Cb 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.70 3if5 h ALA 18 CO 0.00 0.00 -0.69 0.14 0.00 0.00 0.00 179.25 178.70 3if5 s VAL 19 N -3.59 1.00 -0.41 0.00 -7.23 -1.22 -5.11 120.40 103.84 3if5 s VAL 19 Ca 0.02 -2.03 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 3if5 s VAL 19 Cb 0.09 -1.96 0.31 0.00 0.56 0.00 0.00 36.38 35.38 3if5 s VAL 19 CO 0.49 -0.64 0.80 -3.20 -0.31 0.00 0.00 175.10 172.24 3if5 n ASN 20 N -0.22 -0.42 -4.67 4.85 2.85 -1.26 -5.00 115.26 111.39 3if5 n ASN 20 Ca -0.09 -3.15 -0.30 0.00 -0.11 0.00 0.00 54.58 50.94 3if5 n ASN 20 Cb 0.62 0.23 0.16 0.00 1.24 0.00 0.00 39.78 42.03 3if5 n ASN 20 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3if5 s PRO 21 N -1.24 0.81 0.68 1.20 0.04 -1.26 -4.93 135.00 130.31 3if5 s PRO 21 Ca 0.34 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3if5 s PRO 21 Cb 0.29 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 33.08 3if5 s PRO 21 CO -0.09 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 174.78 3if5 n GLY 22 N -0.58 -1.91 3.09 0.56 0.00 -1.26 -4.63 105.19 100.46 3if5 n GLY 22 Ca 0.07 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 3if5 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3if5 s GLU 23 N 0.00 0.58 0.74 1.61 2.02 -0.85 -4.80 118.70 118.00 3if5 s GLU 23 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 53.97 3if5 s GLU 23 Cb 0.00 0.22 0.04 0.00 0.10 0.00 0.00 34.13 34.48 3if5 s GLU 23 CO 0.00 -0.13 1.09 0.95 0.02 0.00 0.00 175.26 177.19 3if5 s THR 24 N -3.00 3.44 0.01 3.63 -4.23 -1.26 0.47 115.64 114.69 3if5 s THR 24 Ca -0.02 0.47 -0.30 0.00 -1.18 0.00 0.00 61.69 60.66 3if5 s THR 24 Cb 0.01 -3.31 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 3if5 s THR 24 CO -0.06 -0.61 1.98 0.00 -0.54 0.00 0.00 174.62 175.38 3if5 s ALA 25 N -3.21 3.51 -0.53 3.99 0.00 -1.26 -4.85 121.76 119.40 3if5 s ALA 25 Ca 0.59 1.26 0.24 0.00 0.00 0.00 0.00 51.96 54.05 3if5 s ALA 25 Cb -0.13 -3.86 0.38 0.00 0.00 0.00 0.00 23.12 19.50 3if5 s ALA 25 CO 0.53 -1.68 1.43 1.96 0.00 0.00 0.00 175.76 178.01 3if5 h GLN 26 N 10.96 0.00 0.00 0.00 1.08 -1.91 -2.46 115.11 122.78 3if5 h GLN 26 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3if5 h GLN 26 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 3if5 h GLN 26 CO 0.94 0.00 0.10 0.10 -0.95 0.00 0.00 178.83 179.03 3if5 h TYR 27 N 0.00 0.00 -3.47 2.96 -0.00 -1.99 -3.43 116.97 111.05 3if5 h TYR 27 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.58 3if5 h TYR 27 Cb 0.86 0.00 -0.22 0.00 0.00 0.00 0.00 36.73 37.37 3if5 h TYR 27 CO 0.00 0.00 -0.49 0.96 -0.00 0.00 0.00 178.16 178.63 3if5 s ILE 28 N -4.01 0.07 0.12 -0.90 -4.36 -1.26 -5.00 121.20 105.85 3if5 s ILE 28 Ca -0.04 -0.55 -0.21 0.00 -0.26 0.00 0.00 60.65 59.59 3if5 s ILE 28 Cb 0.10 -0.40 -0.08 0.00 1.25 0.00 0.00 42.46 43.34 3if5 s ILE 28 CO 0.33 -0.30 1.74 1.55 0.24 0.00 0.00 174.94 178.50 3if5 h PRO 29 N 4.59 0.10 -0.93 0.37 0.13 -1.90 0.60 132.00 134.96 3if5 h PRO 29 Ca -0.30 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.02 3if5 h PRO 29 Cb 1.19 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 3if5 h PRO 29 CO 0.40 0.06 0.60 -0.24 -0.23 0.00 0.00 178.00 178.60 3if5 h VAL 30 N 0.10 0.71 0.08 1.56 3.04 -1.95 0.41 116.25 120.19 3if5 h VAL 30 Ca 0.06 -0.18 -0.31 0.00 -1.01 0.00 0.00 66.70 65.26 3if5 h VAL 30 Cb 0.05 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.44 3if5 h VAL 30 CO -0.07 0.10 -1.70 -0.07 -1.01 0.00 0.00 177.57 174.81 3if5 h LEU 31 N 0.53 0.26 -0.35 3.16 3.38 -1.77 -3.23 115.31 117.29 3if5 h LEU 31 Ca 0.49 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3if5 h LEU 31 Cb 1.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3if5 h LEU 31 CO -0.22 1.41 -0.15 0.00 0.09 0.00 0.00 178.44 179.56 3if5 h ALA 32 N 0.55 0.49 -0.01 1.53 0.00 0.24 -3.15 119.26 118.91 3if5 h ALA 32 Ca -0.30 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3if5 h ALA 32 Cb 2.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3if5 h ALA 32 CO 0.11 0.40 -0.01 0.39 0.00 0.00 0.00 179.25 180.14 3if5 n GLU 33 N -4.34 1.46 -1.62 0.00 1.02 0.13 -4.82 120.64 112.47 3if5 n GLU 33 Ca -0.02 -0.72 -0.39 0.00 -0.02 0.00 0.00 57.16 56.01 3if5 n GLU 33 Cb 0.39 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 3if5 n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if5 n ALA 34 N -0.14 0.31 -1.96 0.62 0.00 -1.19 -4.84 120.51 113.31 3if5 n ALA 34 Ca 0.20 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 3if5 n ALA 34 Cb 0.30 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 3if5 n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3if5 s ASP 35 N -1.04 6.33 0.36 0.00 2.15 -1.26 -4.86 116.67 118.35 3if5 s ASP 35 Ca 0.71 1.94 0.26 0.00 0.43 0.00 0.00 52.55 55.89 3if5 s ASP 35 Cb -0.46 -2.53 0.78 0.00 -0.30 0.00 0.00 42.92 40.41 3if5 s ASP 35 CO 0.51 -1.25 1.75 1.55 -0.17 0.00 0.00 175.17 177.56 3if5 h PRO 36 N 11.03 0.00 -2.28 4.34 0.13 -1.95 -3.37 132.00 139.89 3if5 h PRO 36 Ca -0.38 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.29 3if5 h PRO 36 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 3if5 h PRO 36 CO 0.98 0.00 1.08 -3.47 -0.23 0.00 0.00 178.00 176.36 3if5 n ASP 37 N -2.70 6.72 -3.99 1.44 4.64 -1.26 -4.70 116.55 116.71 3if5 n ASP 37 Ca 0.04 -2.83 -0.18 0.00 -1.38 0.00 0.00 54.79 50.44 3if5 n ASP 37 Cb 0.41 -1.38 -0.15 0.00 -1.04 0.00 0.00 41.12 38.96 3if5 n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3if5 s ARG 38 N 0.03 0.63 -0.30 -0.67 0.52 -1.26 -5.12 118.95 112.78 3if5 s ARG 38 Ca 0.63 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 3if5 s ARG 38 Cb 0.29 -0.61 0.17 0.00 0.52 0.00 0.00 34.95 35.32 3if5 s ARG 38 CO -0.09 0.14 0.62 0.12 0.02 0.00 0.00 175.30 176.10 3if5 s PHE 39 N -0.09 -1.52 0.10 -0.53 5.36 -1.26 -4.34 117.98 115.71 3if5 s PHE 39 Ca 0.02 1.92 0.04 0.00 -0.96 0.00 0.00 56.93 57.95 3if5 s PHE 39 Cb -0.04 0.65 -0.04 0.00 -0.34 0.00 0.00 43.02 43.25 3if5 s PHE 39 CO -0.00 -0.81 -0.11 0.20 -1.46 0.00 0.00 175.22 173.04 3if5 s GLY 40 N 2.87 0.91 0.02 13.12 0.00 -0.36 -1.81 107.32 122.07 3if5 s GLY 40 Ca 0.12 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3if5 s GLY 40 CO -0.20 -1.27 -0.04 -0.42 0.00 0.00 0.00 173.10 171.17 3if5 s ILE 41 N -2.29 0.26 -0.15 0.90 1.01 -0.73 -0.65 121.20 119.55 3if5 s ILE 41 Ca 0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3if5 s ILE 41 Cb -0.04 -0.32 0.05 0.00 0.01 0.00 0.00 42.46 42.16 3if5 s ILE 41 CO 0.01 -0.26 0.38 0.00 0.00 0.00 0.00 174.94 175.07 3if5 s ALA 42 N -0.91 -0.95 -0.11 9.38 0.00 0.30 -1.84 121.76 127.64 3if5 s ALA 42 Ca -0.08 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3if5 s ALA 42 Cb -0.07 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.31 3if5 s ALA 42 CO -0.00 -0.22 -0.21 -0.51 0.00 0.00 0.00 175.76 174.83 3if5 s LEU 43 N 0.79 1.98 -0.13 0.00 1.43 0.12 -0.84 118.68 122.02 3if5 s LEU 43 Ca -0.05 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3if5 s LEU 43 Cb -0.06 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 3if5 s LEU 43 CO -0.06 0.10 -0.10 0.00 0.23 0.00 0.00 176.35 176.52 3if5 s ALA 44 N 0.62 2.76 0.45 4.21 0.00 0.17 -1.16 121.76 128.82 3if5 s ALA 44 Ca -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3if5 s ALA 44 Cb -0.17 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 3if5 s ALA 44 CO 0.03 0.27 0.73 0.95 0.00 0.00 0.00 175.76 177.74 3if5 s THR 45 N 0.26 4.93 0.40 0.00 -4.23 -0.31 -0.75 115.64 115.94 3if5 s THR 45 Ca -0.07 0.03 0.18 0.00 -1.18 0.00 0.00 61.69 60.65 3if5 s THR 45 Cb -0.15 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.03 3if5 s THR 45 CO 0.04 -0.77 1.96 -0.65 -0.54 0.00 0.00 174.62 174.66 3if5 h PRO 46 N 0.35 0.00 -0.00 3.99 0.11 -1.90 -2.52 132.00 132.03 3if5 h PRO 46 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3if5 h PRO 46 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3if5 h PRO 46 CO 0.61 0.22 -0.01 0.25 -0.21 0.00 0.00 178.00 178.87 3if5 n THR 47 N -3.99 0.00 0.00 -1.15 -2.24 -1.26 -4.50 114.28 101.13 3if5 n THR 47 Ca -0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3if5 n THR 47 Cb 0.30 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3if5 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if5 n GLY 48 N 1.09 0.91 3.87 3.38 0.00 -0.95 -4.88 105.19 108.61 3if5 n GLY 48 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3if5 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3if5 s ARG 49 N -0.76 3.79 -0.21 1.61 0.52 -1.26 -4.83 118.95 117.81 3if5 s ARG 49 Ca 0.00 0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.67 3if5 s ARG 49 Cb 0.00 -2.37 0.07 0.00 0.52 0.00 0.00 34.95 33.17 3if5 s ARG 49 CO 0.00 -0.05 0.10 -1.17 0.02 0.00 0.00 175.30 174.19 3if5 s LEU 50 N -3.87 0.52 -0.14 2.53 2.96 -1.26 -1.16 118.68 118.26 3if5 s LEU 50 Ca 0.52 -0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3if5 s LEU 50 Cb -0.10 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 3if5 s LEU 50 CO 0.31 -0.37 0.06 -1.00 -1.32 0.00 0.00 176.35 174.02 3if5 s HIS 51 N 2.09 3.28 0.32 5.38 3.76 -0.30 -4.96 115.29 124.86 3if5 s HIS 51 Ca 0.04 0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.07 3if5 s HIS 51 Cb -0.16 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.57 3if5 s HIS 51 CO -0.18 0.35 0.49 0.00 -0.85 0.00 0.00 174.74 174.56 3if5 s ALA 53 N -3.22 -1.89 0.00 0.00 0.00 -0.77 -4.78 121.76 111.10 3if5 s ALA 53 Ca 0.28 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3if5 s ALA 53 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3if5 s ALA 53 CO 0.17 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3if5 n GLY 54 N 0.36 0.24 2.34 0.00 0.00 -1.26 -1.77 105.19 105.09 3if5 n GLY 54 Ca -0.10 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 3if5 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3if5 n ASP 55 N -0.07 7.60 0.00 1.61 8.00 -0.75 -4.61 116.55 128.34 3if5 n ASP 55 Ca 0.00 -2.83 0.14 0.00 0.71 0.00 0.00 54.79 52.81 3if5 n ASP 55 Cb 0.00 -1.42 0.72 0.00 -0.02 0.00 0.00 41.12 40.39 3if5 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3if5 n ALA 56 N 2.41 2.41 -0.02 2.24 0.00 -1.25 -3.33 120.51 122.96 3if5 n ALA 56 Ca 0.63 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.97 3if5 n ALA 56 Cb 0.40 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.46 3if5 n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3if5 n ASP 57 N -1.27 2.29 -4.71 0.00 -0.08 -1.26 -2.02 116.55 109.49 3if5 n ASP 57 Ca 0.14 -1.84 -0.41 0.00 -1.51 0.00 0.00 54.79 51.17 3if5 n ASP 57 Cb 0.22 -0.10 -0.04 0.00 2.34 0.00 0.00 41.12 43.54 3if5 n ASP 57 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3if5 s VAL 58 N -0.89 4.97 0.38 5.18 1.01 -1.21 -4.92 120.40 124.92 3if5 s VAL 58 Ca 0.11 1.64 -0.24 0.00 0.00 0.00 0.00 61.98 63.49 3if5 s VAL 58 Cb 0.06 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3if5 s VAL 58 CO 0.08 0.19 1.01 -1.61 0.00 0.00 0.00 175.10 174.77 3if5 s GLU 59 N 1.06 4.30 -0.04 2.72 2.02 -1.26 -4.35 118.70 123.15 3if5 s GLU 59 Ca 0.42 1.41 -0.27 0.00 0.02 0.00 0.00 54.97 56.55 3if5 s GLU 59 Cb -0.18 -2.58 0.06 0.00 0.10 0.00 0.00 34.13 31.53 3if5 s GLU 59 CO 0.20 -0.00 0.59 -0.59 0.02 0.00 0.00 175.26 175.48 3if5 s PHE 60 N -1.70 -0.54 0.25 1.61 -0.12 0.15 -4.90 117.98 112.72 3if5 s PHE 60 Ca 0.56 0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 58.04 3if5 s PHE 60 Cb -0.20 0.34 -0.11 0.00 -0.63 0.00 0.00 43.02 42.43 3if5 s PHE 60 CO 0.25 -0.56 1.52 0.95 -0.05 0.00 0.00 175.22 177.33 3if5 s THR 61 N -1.29 2.42 0.31 -4.49 -4.23 -1.26 -1.24 115.64 105.86 3if5 s THR 61 Ca -0.11 0.34 0.13 0.00 -1.18 0.00 0.00 61.69 60.87 3if5 s THR 61 Cb -0.01 -3.22 0.07 0.00 1.34 0.00 0.00 72.50 70.67 3if5 s THR 61 CO 0.08 0.05 1.75 -0.29 -0.54 0.00 0.00 174.62 175.67 3if5 h ILE 62 N 3.55 1.24 0.00 2.99 2.10 -1.01 -3.41 117.51 122.97 3if5 h ILE 62 Ca -0.46 -1.57 0.00 0.00 1.08 0.00 0.00 64.86 63.91 3if5 h ILE 62 Cb 1.22 1.86 0.00 0.00 -1.09 0.00 0.00 36.82 38.81 3if5 h ILE 62 CO 0.81 0.44 0.00 0.00 -1.08 0.00 0.00 178.15 178.31 3if5 n GLN 63 N -3.89 0.00 0.29 2.19 1.13 0.82 -2.01 117.38 115.90 3if5 n GLN 63 Ca -0.01 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.21 3if5 n GLN 63 Cb 0.49 0.00 0.90 0.00 0.11 0.00 0.00 30.24 31.73 3if5 n GLN 63 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3if5 h SER 64 N 3.46 0.00 0.16 1.08 0.02 -1.87 -0.87 113.55 115.53 3if5 h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3if5 h SER 64 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3if5 h SER 64 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3if5 n ALA 65 N -1.91 1.97 0.46 3.77 0.00 -0.85 -1.86 120.51 122.08 3if5 n ALA 65 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3if5 n ALA 65 Cb 0.18 -1.26 0.18 0.00 0.00 0.00 0.00 19.45 18.56 3if5 n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3if5 h SER 66 N 0.00 0.00 -0.90 0.00 4.64 -1.32 -3.38 113.55 112.58 3if5 h SER 66 Ca 0.00 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3if5 h SER 66 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 3if5 h SER 66 CO 0.00 0.06 0.57 0.11 -0.87 0.00 0.00 176.83 176.69 3if5 h LYS 67 N 0.00 1.00 0.00 4.77 1.57 -1.58 -2.61 116.57 119.72 3if5 h LYS 67 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3if5 h LYS 67 Cb 0.82 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3if5 h LYS 67 CO 0.00 0.66 -0.39 -1.00 -0.57 0.00 0.00 179.45 178.15 3if5 h PRO 68 N 1.03 0.00 0.04 3.15 0.13 -1.81 -2.48 132.00 132.06 3if5 h PRO 68 Ca 0.39 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.25 3if5 h PRO 68 Cb 0.17 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.33 3if5 h PRO 68 CO -0.17 0.39 -1.11 0.74 -0.23 0.00 0.00 178.00 177.62 3if5 h PHE 69 N 0.00 1.04 -0.03 1.56 -1.00 -1.74 -1.61 116.94 115.16 3if5 h PHE 69 Ca -0.00 -0.60 -0.11 0.00 2.81 0.00 0.00 57.97 60.07 3if5 h PHE 69 Cb 0.75 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 3if5 h PHE 69 CO 0.00 1.43 -0.50 1.79 -1.61 0.00 0.00 178.31 179.42 3if5 h THR 70 N 0.36 1.36 -0.47 -1.55 1.35 -1.50 -1.55 112.91 110.91 3if5 h THR 70 Ca -0.15 -1.73 -0.11 0.00 -0.55 0.00 0.00 66.41 63.87 3if5 h THR 70 Cb 1.77 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 70.08 3if5 h THR 70 CO 0.22 0.50 -0.15 0.22 -0.25 0.00 0.00 175.52 176.06 3if5 h TYR 71 N 0.05 1.05 -0.31 4.73 3.20 -1.40 -0.25 116.97 124.04 3if5 h TYR 71 Ca -0.00 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 3if5 h TYR 71 Cb 0.91 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3if5 h TYR 71 CO 0.00 1.03 0.13 0.00 -1.64 0.00 0.00 178.16 177.68 3if5 h ALA 72 N 0.87 0.40 -0.75 1.82 0.00 -0.98 -1.74 119.26 118.88 3if5 h ALA 72 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3if5 h ALA 72 Cb 0.71 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3if5 h ALA 72 CO 0.05 -0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.79 3if5 h ALA 73 N 0.97 0.97 -0.65 0.00 0.00 -1.06 -1.59 119.26 117.90 3if5 h ALA 73 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3if5 h ALA 73 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3if5 h ALA 73 CO -0.01 0.32 0.29 0.00 0.00 0.00 0.00 179.25 179.85 3if5 h ALA 74 N 1.30 0.85 -0.87 0.00 0.00 -0.82 -0.12 119.26 119.60 3if5 h ALA 74 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3if5 h ALA 74 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3if5 h ALA 74 CO -0.08 0.44 0.46 -0.07 0.00 0.00 0.00 179.25 180.00 3if5 h LEU 75 N 0.91 1.10 -0.38 0.00 3.38 -0.87 -0.29 115.31 119.16 3if5 h LEU 75 Ca 0.22 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3if5 h LEU 75 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3if5 h LEU 75 CO -0.02 0.89 -0.21 0.58 0.09 0.00 0.00 178.44 179.77 3if5 h VAL 76 N 1.22 1.28 0.00 1.22 2.07 -0.86 -1.24 116.25 119.94 3if5 h VAL 76 Ca 0.30 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 3if5 h VAL 76 Cb 0.05 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3if5 h VAL 76 CO -0.05 0.45 -0.32 0.44 0.02 0.00 0.00 177.57 178.11 3if5 h ASP 77 N 0.60 0.00 0.00 0.57 3.32 -0.81 -3.39 116.42 116.70 3if5 h ASP 77 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3if5 h ASP 77 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3if5 h ASP 77 CO 0.06 0.24 -0.96 0.54 -1.72 0.00 0.00 179.24 177.40 3if5 n ARG 78 N -3.13 0.40 0.00 3.56 5.12 -0.14 -4.87 116.66 117.60 3if5 n ARG 78 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3if5 n ARG 78 Cb 0.63 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.95 3if5 n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3if5 n GLY 79 N 2.42 0.93 0.24 -0.13 0.00 -0.47 -4.35 105.19 103.83 3if5 n GLY 79 Ca 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 3if5 n GLY 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3if5 h PHE 80 N 0.00 0.64 -0.51 1.61 -1.00 -1.93 -2.94 116.94 112.82 3if5 h PHE 80 Ca 0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.82 3if5 h PHE 80 Cb 0.00 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 3if5 h PHE 80 CO 0.00 0.34 0.32 0.00 -1.61 0.00 0.00 178.31 177.36 3if5 h ALA 81 N 1.29 0.65 -0.38 2.45 0.00 -1.97 0.83 119.26 122.12 3if5 h ALA 81 Ca 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3if5 h ALA 81 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3if5 h ALA 81 CO -0.14 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.03 3if5 h ALA 82 N 1.21 1.06 0.05 0.00 0.00 -1.74 -2.60 119.26 117.24 3if5 h ALA 82 Ca 0.20 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 3if5 h ALA 82 Cb -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.62 3if5 h ALA 82 CO -0.07 0.57 -1.03 0.28 0.00 0.00 0.00 179.25 179.00 3if5 h VAL 83 N 0.62 1.31 0.00 0.00 2.07 -1.33 -3.25 116.25 115.67 3if5 h VAL 83 Ca 0.11 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3if5 h VAL 83 Cb 0.58 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3if5 h VAL 83 CO 0.04 0.70 0.00 0.44 0.02 0.00 0.00 177.57 178.77 3if5 h ASP 84 N 0.23 0.00 1.32 0.57 3.32 -0.78 0.60 116.42 121.68 3if5 h ASP 84 Ca -0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3if5 h ASP 84 Cb 1.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.26 3if5 h ASP 84 CO 0.20 0.00 -0.20 0.03 -1.72 0.00 0.00 179.24 177.55 3if5 h ARG 85 N 0.00 0.00 0.00 3.56 3.08 -1.50 -3.32 114.38 116.20 3if5 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3if5 h ARG 85 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3if5 h ARG 85 CO 0.00 0.20 -1.21 1.04 -1.07 0.00 0.00 179.97 178.93 3if5 n GLN 86 N -3.24 1.24 -3.87 0.04 1.13 -0.60 -4.73 117.38 107.35 3if5 n GLN 86 Ca 0.02 -0.07 -0.22 0.00 -1.94 0.00 0.00 57.00 54.79 3if5 n GLN 86 Cb 0.50 -1.18 -0.17 0.00 0.11 0.00 0.00 30.24 29.50 3if5 n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3if5 s VAL 87 N -2.53 0.39 0.00 5.09 1.01 0.10 -3.88 120.40 120.58 3if5 s VAL 87 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3if5 s VAL 87 Cb 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.94 3if5 s VAL 87 CO 0.44 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.39 3if5 n GLY 88 N 4.79 -0.84 0.30 4.51 0.00 -0.82 -4.33 105.19 108.80 3if5 n GLY 88 Ca -0.13 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3if5 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3if5 n LEU 89 N 0.00 0.72 -4.65 0.99 4.77 -0.61 -4.21 117.00 114.01 3if5 n LEU 89 Ca 0.00 -1.47 -0.39 0.00 -0.03 0.00 0.00 56.01 54.11 3if5 n LEU 89 Cb 0.00 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 3if5 n LEU 89 CO 0.00 0.35 0.25 0.21 -1.33 0.00 0.00 177.39 176.87 3if5 s ASN 90 N -1.36 6.53 0.60 -1.43 3.84 -0.77 -4.97 114.94 117.38 3if5 s ASN 90 Ca 0.08 0.64 -0.19 0.00 0.21 0.00 0.00 52.86 53.61 3if5 s ASN 90 Cb 0.07 -2.29 -0.03 0.00 -0.55 0.00 0.00 41.25 38.45 3if5 s ASN 90 CO 0.01 -0.21 1.23 -2.16 -2.79 0.00 0.00 177.10 173.18 3if5 s PRO 91 N 1.81 2.93 -0.02 0.43 0.04 -1.26 -4.01 135.00 134.92 3if5 s PRO 91 Ca 0.23 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3if5 s PRO 91 Cb -0.15 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.55 3if5 s PRO 91 CO 0.09 -1.25 1.12 -1.54 0.04 0.00 0.00 177.00 175.46 3if5 s SER 92 N -1.53 -0.16 1.02 6.66 1.04 -1.26 -5.01 113.70 114.46 3if5 s SER 92 Ca 0.78 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.91 3if5 s SER 92 Cb -0.32 0.28 0.20 0.00 0.10 0.00 0.00 66.02 66.28 3if5 s SER 92 CO 0.35 -0.49 1.15 -0.83 0.98 0.00 0.00 173.24 174.40 3if5 s GLY 93 N -2.69 1.61 0.35 7.32 0.00 -1.26 -4.24 107.32 108.40 3if5 s GLY 93 Ca 0.11 -0.74 0.19 0.00 0.00 0.00 0.00 44.72 44.28 3if5 s GLY 93 CO -0.03 -0.04 1.57 -2.09 0.00 0.00 0.00 173.10 172.51 3if5 h GLU 94 N -1.91 0.00 -6.53 2.90 4.57 -1.99 -3.45 114.58 108.17 3if5 h GLU 94 Ca -0.49 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.15 3if5 h GLU 94 Cb 1.31 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.94 3if5 h GLU 94 CO 0.49 0.35 1.03 0.00 -1.18 0.00 0.00 179.01 179.71 3if5 n ALA 95 N -2.21 2.15 -2.26 2.92 0.00 -1.26 -4.89 120.51 114.96 3if5 n ALA 95 Ca 0.02 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 3if5 n ALA 95 Cb 0.62 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 3if5 n ALA 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3if5 s PHE 96 N 2.11 3.80 -0.17 0.00 5.36 -1.26 -5.05 117.98 122.76 3if5 s PHE 96 Ca 0.80 1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 58.19 3if5 s PHE 96 Cb -0.53 -2.69 0.05 0.00 -0.34 0.00 0.00 43.02 39.50 3if5 s PHE 96 CO 0.37 0.43 -0.03 1.21 -1.46 0.00 0.00 175.22 175.74 3if5 s ASN 97 N -0.65 2.86 0.38 6.13 3.84 -1.26 -5.01 114.94 121.23 3if5 s ASN 97 Ca 0.34 -0.71 0.13 0.00 0.21 0.00 0.00 52.86 52.84 3if5 s ASN 97 Cb -0.21 -0.84 0.96 0.00 -0.55 0.00 0.00 41.25 40.62 3if5 s ASN 97 CO 0.22 -0.22 1.85 -0.08 -2.79 0.00 0.00 177.10 176.08 3if5 h GLU 98 N 8.14 0.52 -0.30 0.43 4.81 -2.02 -0.44 114.58 125.73 3if5 h GLU 98 Ca -0.21 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3if5 h GLU 98 Cb 1.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3if5 h GLU 98 CO 0.38 0.34 0.60 -0.07 -0.73 0.00 0.00 179.01 179.54 3if5 h LEU 99 N 0.54 0.00 -1.18 1.64 3.38 -1.99 0.51 115.31 118.21 3if5 h LEU 99 Ca 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.40 3if5 h LEU 99 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3if5 h LEU 99 CO -0.22 0.00 -0.25 0.77 0.09 0.00 0.00 178.44 178.84 3if5 h SER 100 N 0.00 0.00 0.58 -0.43 4.64 -1.44 -2.72 113.55 114.18 3if5 h SER 100 Ca 0.14 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 3if5 h SER 100 Cb 1.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 3if5 h SER 100 CO -0.00 0.25 -1.54 0.18 -0.87 0.00 0.00 176.83 174.85 3if5 n LEU 101 N -3.46 0.68 0.27 5.97 4.77 0.17 -3.92 117.00 121.48 3if5 n LEU 101 Ca -0.00 0.29 0.17 0.00 -0.03 0.00 0.00 56.01 56.44 3if5 n LEU 101 Cb 0.42 0.10 0.68 0.00 -2.33 0.00 0.00 43.42 42.29 3if5 n LEU 101 CO 0.34 0.13 0.99 -0.33 -1.33 0.00 0.00 177.39 177.19 3if5 h GLU 102 N 0.00 0.00 -7.10 3.23 5.08 -1.15 -3.22 114.58 111.42 3if5 h GLU 102 Ca -0.17 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.65 3if5 h GLU 102 Cb 1.54 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.97 3if5 h GLU 102 CO 0.03 0.00 0.21 0.00 -1.00 0.00 0.00 179.01 178.25 3if5 n ALA 103 N -2.07 -0.25 0.00 3.43 0.00 -1.12 -4.78 120.51 115.72 3if5 n ALA 103 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3if5 n ALA 103 Cb 0.30 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3if5 n ALA 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3if5 n GLU 104 N -2.75 0.00 0.01 0.00 4.71 -1.26 -0.96 120.64 120.39 3if5 n GLU 104 Ca 0.13 0.41 -0.18 0.00 -0.01 0.00 0.00 57.16 57.51 3if5 n GLU 104 Cb 0.50 -1.58 -0.12 0.00 -1.01 0.00 0.00 31.44 29.23 3if5 n GLU 104 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3if5 h SER 105 N 0.00 0.46 -5.41 1.62 0.02 -1.86 -3.48 113.55 104.90 3if5 h SER 105 Ca 0.00 -0.82 -0.28 0.00 -0.84 0.00 0.00 61.79 59.85 3if5 h SER 105 Cb 0.17 -0.14 0.18 0.00 0.14 0.00 0.00 62.40 62.74 3if5 h SER 105 CO 0.00 1.23 -0.78 1.41 -1.14 0.00 0.00 176.83 177.55 3if5 n HIS 106 N -4.24 -2.22 -3.64 3.45 8.25 -0.14 -4.93 115.22 111.75 3if5 n HIS 106 Ca -0.11 0.86 -0.15 0.00 -0.26 0.00 0.00 57.72 58.06 3if5 n HIS 106 Cb 0.69 -4.52 -0.08 0.00 1.12 0.00 0.00 29.99 27.20 3if5 n HIS 106 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3if5 s ARG 107 N -4.83 0.81 0.69 -0.41 1.70 -1.26 -4.76 118.95 110.90 3if5 s ARG 107 Ca 0.21 0.38 -0.16 0.00 -0.47 0.00 0.00 55.73 55.69 3if5 s ARG 107 Cb -0.03 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3if5 s ARG 107 CO 0.70 -0.19 1.23 -1.25 -1.08 0.00 0.00 175.30 174.71 3if5 s PRO 108 N -0.60 2.35 0.18 3.89 0.04 -1.25 -4.51 135.00 135.09 3if5 s PRO 108 Ca -0.07 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.62 3if5 s PRO 108 Cb -0.03 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.77 3if5 s PRO 108 CO 0.05 -1.70 1.62 -0.44 0.04 0.00 0.00 177.00 176.57 3if5 h ASP 109 N 0.07 -0.83 -5.20 6.66 3.32 -1.88 -2.17 116.42 116.39 3if5 h ASP 109 Ca -0.49 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.65 3if5 h ASP 109 Cb 1.31 0.43 -0.05 0.00 0.22 0.00 0.00 39.33 41.24 3if5 h ASP 109 CO 0.51 -0.26 0.05 0.54 -1.72 0.00 0.00 179.24 178.36 3if5 s ASN 110 N -5.13 0.22 0.00 6.45 4.22 -1.26 -1.58 114.94 117.87 3if5 s ASN 110 Ca -0.14 -1.13 0.28 0.00 -2.14 0.00 0.00 52.86 49.72 3if5 s ASN 110 Cb 0.15 0.73 1.48 0.00 1.28 0.00 0.00 41.25 44.89 3if5 s ASN 110 CO 0.70 -1.42 1.97 0.00 -2.04 0.00 0.00 177.10 176.31 3if5 n ALA 111 N -0.50 2.64 0.68 3.54 0.00 -1.26 -3.52 120.51 122.08 3if5 n ALA 111 Ca -0.04 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.25 3if5 n ALA 111 Cb 0.61 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 3if5 n ALA 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3if5 n MET 112 N -0.61 0.21 -3.51 0.00 2.81 -1.26 -4.11 117.12 110.65 3if5 n MET 112 Ca 0.20 -0.04 -0.28 0.00 -1.81 0.00 0.00 57.70 55.77 3if5 n MET 112 Cb 0.17 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 3if5 n MET 112 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3if5 s ILE 113 N -3.16 5.11 0.23 2.02 -4.36 -1.25 -4.93 121.20 114.87 3if5 s ILE 113 Ca 0.04 -0.15 -0.08 0.00 -0.26 0.00 0.00 60.65 60.20 3if5 s ILE 113 Cb 0.15 -3.73 0.24 0.00 1.25 0.00 0.00 42.46 40.37 3if5 s ILE 113 CO 0.85 -0.25 1.66 0.78 0.24 0.00 0.00 174.94 178.22 3if5 h ASN 114 N 1.84 -0.22 -0.97 4.36 4.21 -1.90 -0.40 115.58 122.50 3if5 h ASN 114 Ca -0.48 0.17 0.05 0.00 1.21 0.00 0.00 56.30 57.25 3if5 h ASN 114 Cb 1.19 0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 38.61 3if5 h ASN 114 CO 0.67 -0.12 0.63 0.00 -1.29 0.00 0.00 177.43 177.33 3if5 h ALA 115 N 1.63 1.40 -0.10 -0.83 0.00 -1.93 -0.97 119.26 118.45 3if5 h ALA 115 Ca 0.38 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 3if5 h ALA 115 Cb 0.66 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3if5 h ALA 115 CO -0.57 0.49 -0.57 0.78 0.00 0.00 0.00 179.25 179.38 3if5 h GLY 116 N 1.19 0.34 1.77 0.00 0.00 -1.17 -2.72 103.07 102.48 3if5 h GLY 116 Ca 0.40 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3if5 h GLY 116 CO -0.14 0.36 -0.50 0.00 0.00 0.00 0.00 176.54 176.26 3if5 h ALA 117 N 1.16 0.97 -0.25 3.60 0.00 -0.25 -1.31 119.26 123.18 3if5 h ALA 117 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3if5 h ALA 117 Cb 1.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3if5 h ALA 117 CO 0.09 0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 179.74 3if5 h LEU 118 N 0.20 0.61 -1.24 0.00 3.38 -1.14 -0.23 115.31 116.87 3if5 h LEU 118 Ca 0.01 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 3if5 h LEU 118 Cb 0.96 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3if5 h LEU 118 CO 0.08 0.93 0.27 0.00 0.09 0.00 0.00 178.44 179.80 3if5 h ALA 119 N 0.70 1.41 -0.16 1.53 0.00 -1.33 -2.06 119.26 119.35 3if5 h ALA 119 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3if5 h ALA 119 Cb 0.73 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3if5 h ALA 119 CO 0.05 0.46 -0.06 0.28 0.00 0.00 0.00 179.25 179.99 3if5 h VAL 120 N 0.79 1.30 -0.83 0.00 2.07 -1.00 -3.05 116.25 115.53 3if5 h VAL 120 Ca 0.20 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3if5 h VAL 120 Cb 0.09 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3if5 h VAL 120 CO -0.03 0.31 0.51 -0.74 0.02 0.00 0.00 177.57 177.64 3if5 h HIS 121 N 0.01 0.93 -0.08 1.57 6.17 -0.68 -0.51 115.15 122.56 3if5 h HIS 121 Ca 0.04 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.17 3if5 h HIS 121 Cb 0.51 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 30.14 3if5 h HIS 121 CO 0.06 0.46 0.07 0.37 0.71 0.00 0.00 177.93 179.60 3if5 h GLN 122 N 0.92 0.00 0.00 5.26 5.75 -1.32 -1.90 115.11 123.82 3if5 h GLN 122 Ca 0.37 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3if5 h GLN 122 Cb 0.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3if5 h GLN 122 CO -0.18 0.00 -0.75 -0.07 -2.65 0.00 0.00 178.83 175.18 3if5 h LEU 123 N 0.00 0.00 -0.54 -2.39 3.38 -1.00 -3.44 115.31 111.32 3if5 h LEU 123 Ca 0.04 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3if5 h LEU 123 Cb 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3if5 h LEU 123 CO -0.00 0.09 -0.19 0.18 0.09 0.00 0.00 178.44 178.61 3if5 n LEU 124 N -2.24 -0.31 -0.04 1.67 4.77 -0.71 -3.52 117.00 116.61 3if5 n LEU 124 Ca 0.02 0.93 -0.05 0.00 -0.03 0.00 0.00 56.01 56.89 3if5 n LEU 124 Cb 0.47 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3if5 n LEU 124 CO 0.38 -0.85 -0.77 0.52 -1.33 0.00 0.00 177.39 175.33 3if5 n VAL 125 N -4.81 0.52 0.00 4.08 0.31 -1.26 -4.57 118.33 112.60 3if5 n VAL 125 Ca 0.06 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3if5 n VAL 125 Cb 0.23 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3if5 n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3if5 n GLY 126 N 2.77 0.77 0.28 2.92 0.00 -1.23 -4.89 105.19 105.81 3if5 n GLY 126 Ca -0.14 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.80 3if5 n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3if5 h PRO 127 N 0.00 0.13 -0.10 1.61 0.11 -1.90 -2.99 132.00 128.86 3if5 h PRO 127 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3if5 h PRO 127 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3if5 h PRO 127 CO 0.00 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.27 3if5 n GLU 128 N -4.52 2.04 -1.36 1.05 4.71 -1.26 -5.01 120.64 116.29 3if5 n GLU 128 Ca -0.01 -1.86 -0.35 0.00 -0.01 0.00 0.00 57.16 54.93 3if5 n GLU 128 Cb 0.11 -1.42 0.10 0.00 -1.01 0.00 0.00 31.44 29.21 3if5 n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3if5 n ALA 129 N 1.22 0.14 -2.45 0.62 0.00 -1.13 -5.02 120.51 113.90 3if5 n ALA 129 Ca 0.14 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3if5 n ALA 129 Cb 0.54 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3if5 n ALA 129 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3if5 s SER 130 N -1.73 6.02 0.26 0.00 1.04 -1.26 -4.93 113.70 113.10 3if5 s SER 130 Ca 0.75 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 57.52 3if5 s SER 130 Cb -0.34 -1.72 0.54 0.00 0.10 0.00 0.00 66.02 64.60 3if5 s SER 130 CO 0.48 -0.54 1.74 -0.09 0.98 0.00 0.00 173.24 175.81 3if5 h ARG 131 N 0.54 0.52 -0.21 4.02 2.43 -1.97 -1.32 114.38 118.38 3if5 h ARG 131 Ca -0.47 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3if5 h ARG 131 Cb 1.24 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3if5 h ARG 131 CO 0.59 0.34 0.06 -0.22 -1.51 0.00 0.00 179.97 179.22 3if5 h LYS 132 N 0.53 0.34 -0.31 0.20 3.11 -1.99 -2.50 116.57 115.94 3if5 h LYS 132 Ca 0.46 -0.08 0.04 0.00 -2.81 0.00 0.00 60.65 58.26 3if5 h LYS 132 Cb 0.71 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.86 3if5 h LYS 132 CO -0.40 0.45 0.09 0.93 -2.81 0.00 0.00 179.45 177.71 3if5 h GLU 133 N 0.17 0.21 -0.80 1.90 5.08 -1.65 -1.10 114.58 118.39 3if5 h GLU 133 Ca 0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3if5 h GLU 133 Cb 0.26 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3if5 h GLU 133 CO -0.00 0.14 0.32 0.00 -1.00 0.00 0.00 179.01 178.47 3if5 h ARG 134 N 0.22 1.20 -0.42 2.33 3.08 -1.34 -0.97 114.38 118.48 3if5 h ARG 134 Ca 0.14 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3if5 h ARG 134 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3if5 h ARG 134 CO -0.16 0.97 -0.00 1.25 -1.07 0.00 0.00 179.97 180.96 3if5 h LEU 135 N 1.17 0.74 -1.38 3.04 7.12 -1.14 -2.01 115.31 122.85 3if5 h LEU 135 Ca 0.27 -0.31 -0.03 0.00 0.13 0.00 0.00 57.88 57.94 3if5 h LEU 135 Cb 0.22 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 3if5 h LEU 135 CO -0.02 0.87 -0.13 -2.24 -0.13 0.00 0.00 178.44 176.79 3if5 h ASP 136 N 0.59 0.00 0.20 1.25 3.04 -0.99 -1.90 116.42 118.61 3if5 h ASP 136 Ca 0.12 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.75 3if5 h ASP 136 Cb 0.49 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.77 3if5 h ASP 136 CO 0.02 0.13 -0.62 -0.09 -2.04 0.00 0.00 179.24 176.65 3if5 h ARG 137 N 0.00 0.41 -0.09 4.15 9.65 -0.77 0.13 114.38 127.86 3if5 h ARG 137 Ca -0.00 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.57 3if5 h ARG 137 Cb 0.60 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3if5 h ARG 137 CO 0.02 0.90 -0.01 0.00 2.80 0.00 0.00 179.97 183.67 3if5 h ALA 138 N 1.03 0.12 -0.71 2.80 0.00 -0.65 -1.91 119.26 119.95 3if5 h ALA 138 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3if5 h ALA 138 Cb 1.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3if5 h ALA 138 CO 0.11 -0.17 0.24 0.28 0.00 0.00 0.00 179.25 179.70 3if5 h VAL 139 N -0.15 1.25 -0.24 0.00 2.07 -1.30 -2.40 116.25 115.48 3if5 h VAL 139 Ca 0.02 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3if5 h VAL 139 Cb 0.40 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3if5 h VAL 139 CO 0.01 0.34 0.09 -0.08 0.02 0.00 0.00 177.57 177.94 3if5 h GLU 140 N 1.05 0.36 -0.61 1.57 4.81 -0.66 0.12 114.58 121.22 3if5 h GLU 140 Ca 0.23 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3if5 h GLU 140 Cb 0.27 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3if5 h GLU 140 CO -0.01 0.42 0.23 0.97 -0.73 0.00 0.00 179.01 179.89 3if5 h ILE 141 N 0.22 1.24 -0.32 2.32 6.09 -1.26 0.24 117.51 126.04 3if5 h ILE 141 Ca 0.08 -0.75 -0.10 0.00 -1.37 0.00 0.00 64.86 62.72 3if5 h ILE 141 Cb 0.20 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 3if5 h ILE 141 CO -0.00 0.29 -0.21 0.24 -3.07 0.00 0.00 178.15 175.40 3if5 h MET 142 N 0.86 0.60 -0.20 2.19 2.86 -1.30 -2.84 114.93 117.10 3if5 h MET 142 Ca 0.20 -0.22 -0.18 0.00 -2.06 0.00 0.00 59.70 57.44 3if5 h MET 142 Cb 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3if5 h MET 142 CO -0.01 0.77 -0.57 0.77 1.06 0.00 0.00 176.91 178.93 3if5 h SER 143 N 0.53 0.85 -0.94 1.22 0.02 -0.28 -2.23 113.55 112.73 3if5 h SER 143 Ca 0.08 -0.58 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 3if5 h SER 143 Cb 0.65 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 3if5 h SER 143 CO 0.05 1.28 0.61 -0.07 -1.14 0.00 0.00 176.83 177.56 3if5 h LEU 144 N 0.47 1.01 -0.15 5.07 3.38 -0.46 0.88 115.31 125.51 3if5 h LEU 144 Ca -0.01 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3if5 h LEU 144 Cb 1.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3if5 h LEU 144 CO 0.12 0.70 -0.93 -0.07 0.09 0.00 0.00 178.44 178.34 3if5 h LEU 145 N 1.18 0.03 -0.48 1.67 3.38 -1.52 -3.19 115.31 116.38 3if5 h LEU 145 Ca 0.37 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 3if5 h LEU 145 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3if5 h LEU 145 CO -0.12 0.94 -0.76 0.00 0.09 0.00 0.00 178.44 178.59 3if5 h ALA 146 N 1.05 0.74 0.00 1.53 0.00 -1.09 -3.33 119.26 118.17 3if5 h ALA 146 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3if5 h ALA 146 Cb 1.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3if5 h ALA 146 CO 0.12 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3if5 n GLY 147 N 0.65 0.89 3.57 0.00 0.00 0.23 -4.83 105.19 105.69 3if5 n GLY 147 Ca -0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3if5 n GLY 147 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3if5 s ARG 148 N -0.62 0.86 -0.08 1.61 1.70 -0.73 -5.02 118.95 116.66 3if5 s ARG 148 Ca 0.00 0.47 -0.32 0.00 -0.47 0.00 0.00 55.73 55.41 3if5 s ARG 148 Cb 0.00 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 3if5 s ARG 148 CO 0.00 -0.21 1.98 0.54 -1.08 0.00 0.00 175.30 176.52 3if5 n ARG 149 N 1.49 2.31 -3.79 3.89 5.12 -1.26 -4.47 116.66 119.94 3if5 n ARG 149 Ca -0.15 0.82 -0.28 0.00 -1.93 0.00 0.00 57.85 56.31 3if5 n ARG 149 Cb 0.57 -2.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.01 3if5 n ARG 149 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3if5 s LEU 150 N 4.95 4.28 0.16 0.55 1.43 -1.26 -5.07 118.68 123.72 3if5 s LEU 150 Ca 0.94 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 54.47 3if5 s LEU 150 Cb -0.58 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3if5 s LEU 150 CO 0.47 0.01 -0.22 -0.44 0.23 0.00 0.00 176.35 176.40 3if5 s SER 151 N -3.08 3.58 0.11 2.29 0.01 -1.26 -4.99 113.70 110.35 3if5 s SER 151 Ca 0.37 -0.75 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 3if5 s SER 151 Cb -0.11 -0.35 -0.07 0.00 0.21 0.00 0.00 66.02 65.70 3if5 s SER 151 CO 0.28 0.14 0.62 -0.69 0.41 0.00 0.00 173.24 174.01 3if5 s VAL 152 N -1.44 4.66 -0.70 3.43 1.01 -1.26 -0.39 120.40 125.71 3if5 s VAL 152 Ca 0.19 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 3if5 s VAL 152 Cb -0.09 -3.94 0.16 0.00 0.00 0.00 0.00 36.38 32.51 3if5 s VAL 152 CO 0.10 0.51 0.70 -0.62 0.00 0.00 0.00 175.10 175.79 3if5 s ASP 153 N -1.19 6.46 0.62 3.32 2.15 -0.05 -4.88 116.67 123.11 3if5 s ASP 153 Ca 0.32 -2.12 0.37 0.00 0.43 0.00 0.00 52.55 51.55 3if5 s ASP 153 Cb -0.20 -2.24 2.07 0.00 -0.30 0.00 0.00 42.92 42.25 3if5 s ASP 153 CO 0.21 -0.81 2.29 -0.50 -0.17 0.00 0.00 175.17 176.19 3if5 h TRP 154 N 8.49 0.00 -0.47 -5.34 4.06 -1.96 -1.83 115.95 118.90 3if5 h TRP 154 Ca -0.09 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.81 3if5 h TRP 154 Cb 1.07 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.21 3if5 h TRP 154 CO 0.91 0.01 0.11 1.49 -3.56 0.00 0.00 178.44 177.41 3if5 h GLU 155 N 0.00 0.75 -0.30 0.49 4.81 -1.98 -1.09 114.58 117.26 3if5 h GLU 155 Ca -0.00 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 3if5 h GLU 155 Cb 0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3if5 h GLU 155 CO 0.00 0.74 -0.12 1.15 -0.73 0.00 0.00 179.01 180.05 3if5 h THR 156 N 0.63 1.29 -0.24 0.32 2.02 -1.75 -2.30 112.91 112.89 3if5 h THR 156 Ca 0.15 -1.19 0.06 0.00 0.77 0.00 0.00 66.41 66.19 3if5 h THR 156 Cb 0.33 1.44 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 3if5 h THR 156 CO 0.00 0.38 -0.31 0.22 0.37 0.00 0.00 175.52 176.18 3if5 h TYR 157 N 0.36 -0.86 -0.71 3.16 3.20 -1.21 0.76 116.97 121.68 3if5 h TYR 157 Ca 0.07 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3if5 h TYR 157 Cb 0.63 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 3if5 h TYR 157 CO 0.06 -0.38 0.33 0.93 -1.64 0.00 0.00 178.16 177.46 3if5 h GLU 158 N -0.33 1.02 -0.82 1.82 4.39 -1.18 0.13 114.58 119.62 3if5 h GLU 158 Ca 0.13 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3if5 h GLU 158 Cb 0.53 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3if5 h GLU 158 CO -0.42 0.81 0.39 0.77 -1.16 0.00 0.00 179.01 179.40 3if5 h SER 159 N 0.99 1.07 0.07 1.42 0.02 -0.92 -2.70 113.55 113.50 3if5 h SER 159 Ca 0.24 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.86 3if5 h SER 159 Cb 0.13 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3if5 h SER 159 CO -0.03 0.90 -0.75 -0.08 -1.14 0.00 0.00 176.83 175.73 3if5 h GLU 160 N 1.16 0.58 0.00 3.45 4.57 -0.35 -3.13 114.58 120.87 3if5 h GLU 160 Ca 0.28 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3if5 h GLU 160 Cb 0.12 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3if5 h GLU 160 CO -0.03 1.10 0.00 0.52 -1.18 0.00 0.00 179.01 179.42 3if5 h MET 161 N 0.40 0.00 0.00 1.92 2.86 -0.55 -2.07 114.93 117.49 3if5 h MET 161 Ca -0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3if5 h MET 161 Cb 1.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 3if5 h MET 161 CO 0.14 0.00 -0.13 0.00 1.06 0.00 0.00 176.91 177.98 3if5 h ALA 162 N 2.00 0.95 -1.52 6.32 0.00 -1.43 -3.30 119.26 122.28 3if5 h ALA 162 Ca 0.00 -0.12 -0.49 0.00 0.00 0.00 0.00 54.91 54.30 3if5 h ALA 162 Cb 0.36 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.72 3if5 h ALA 162 CO 0.00 0.17 -0.96 1.33 0.00 0.00 0.00 179.25 179.79 3if5 n VAL 163 N -3.18 1.59 -1.22 0.00 0.24 -0.80 -4.89 118.33 110.07 3if5 n VAL 163 Ca 0.02 -4.30 -0.10 0.00 -2.04 0.00 0.00 64.34 57.92 3if5 n VAL 163 Cb 0.49 -0.44 0.23 0.00 -1.47 0.00 0.00 33.84 32.66 3if5 n VAL 163 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3if5 n SER 164 N -0.18 3.69 -0.11 -1.34 7.64 -1.10 -4.71 113.62 117.51 3if5 n SER 164 Ca 0.25 -3.49 -0.06 0.00 1.01 0.00 0.00 58.87 56.58 3if5 n SER 164 Cb 0.68 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3if5 n SER 164 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3if5 h ASP 165 N 1.55 0.08 -0.19 6.43 3.32 -1.90 -0.57 116.42 125.13 3if5 h ASP 165 Ca 0.34 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.47 3if5 h ASP 165 Cb 2.21 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 41.79 3if5 h ASP 165 CO 0.70 0.08 0.01 -0.09 -1.72 0.00 0.00 179.24 178.21 3if5 h ARG 166 N 0.24 0.07 -0.36 3.56 2.43 -1.99 0.25 114.38 118.57 3if5 h ARG 166 Ca 0.17 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3if5 h ARG 166 Cb 0.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3if5 h ARG 166 CO -0.20 0.05 0.01 -0.91 -1.51 0.00 0.00 179.97 177.40 3if5 h ASN 167 N 0.07 0.53 0.17 -3.80 2.35 -1.87 -1.08 115.58 111.95 3if5 h ASN 167 Ca 0.09 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3if5 h ASN 167 Cb 0.11 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3if5 h ASN 167 CO -0.14 0.60 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.84 3if5 h LEU 168 N 0.54 0.24 -0.14 1.61 3.38 -0.37 -0.32 115.31 120.24 3if5 h LEU 168 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3if5 h LEU 168 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3if5 h LEU 168 CO 0.01 0.56 0.02 -1.28 0.09 0.00 0.00 178.44 177.84 3if5 h SER 169 N 0.21 0.22 -0.61 -0.43 0.87 0.62 -0.84 113.55 113.60 3if5 h SER 169 Ca 0.03 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 3if5 h SER 169 Cb 0.68 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 3if5 h SER 169 CO 0.05 0.42 0.29 -0.07 -0.53 0.00 0.00 176.83 177.00 3if5 h LEU 170 N 0.01 0.79 -0.68 2.23 3.38 -0.92 -1.58 115.31 118.55 3if5 h LEU 170 Ca 0.04 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3if5 h LEU 170 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3if5 h LEU 170 CO 0.00 0.70 -0.01 0.00 0.09 0.00 0.00 178.44 179.22 3if5 h ALA 171 N 1.12 0.89 -0.27 1.53 0.00 -0.99 -1.23 119.26 120.31 3if5 h ALA 171 Ca 0.21 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3if5 h ALA 171 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3if5 h ALA 171 CO -0.03 0.65 -0.29 0.45 0.00 0.00 0.00 179.25 180.04 3if5 h HIS 172 N 0.92 0.62 -0.34 0.00 3.86 -0.92 -1.74 115.15 117.55 3if5 h HIS 172 Ca 0.16 -0.15 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 3if5 h HIS 172 Cb 0.55 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 3if5 h HIS 172 CO 0.04 0.78 -0.47 1.98 0.86 0.00 0.00 177.93 181.12 3if5 h MET 173 N 0.48 0.91 -0.90 2.45 -1.53 -1.10 -2.69 114.93 112.55 3if5 h MET 173 Ca 0.06 -0.53 -0.01 0.00 -3.44 0.00 0.00 59.70 55.78 3if5 h MET 173 Cb 0.74 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.79 3if5 h MET 173 CO 0.06 1.18 0.51 -0.07 0.14 0.00 0.00 176.91 178.73 3if5 h LEU 174 N 0.72 1.11 -0.74 3.39 3.38 -0.98 -2.47 115.31 119.72 3if5 h LEU 174 Ca 0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3if5 h LEU 174 Cb 1.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3if5 h LEU 174 CO 0.11 0.88 0.22 0.03 0.09 0.00 0.00 178.44 179.76 3if5 h ARG 175 N 1.26 1.16 0.00 1.13 3.08 -1.22 0.62 114.38 120.41 3if5 h ARG 175 Ca 0.32 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3if5 h ARG 175 Cb -0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3if5 h ARG 175 CO -0.05 1.00 -0.10 0.66 -1.07 0.00 0.00 179.97 180.40 3if5 h SER 176 N 1.11 0.00 -0.26 7.04 4.64 -1.11 -0.71 113.55 124.26 3if5 h SER 176 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3if5 h SER 176 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3if5 h SER 176 CO -0.00 0.10 0.00 -1.22 -0.87 0.00 0.00 176.83 174.84 3if5 n TYR 177 N -4.42 0.32 -0.94 4.77 4.02 -0.86 -4.95 117.16 115.11 3if5 n TYR 177 Ca -0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3if5 n TYR 177 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 3if5 n TYR 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3if5 n GLY 178 N 1.32 0.61 0.11 2.72 0.00 -0.27 -4.93 105.19 104.75 3if5 n GLY 178 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3if5 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3if5 h VAL 179 N 0.00 1.53 -3.38 1.61 2.07 -1.14 -3.44 116.25 113.50 3if5 h VAL 179 Ca 0.00 -2.65 -0.65 0.00 0.82 0.00 0.00 66.70 64.22 3if5 h VAL 179 Cb 0.00 2.45 -0.14 0.00 -1.52 0.00 0.00 31.29 32.08 3if5 h VAL 179 CO 0.00 0.76 -0.71 -0.76 0.02 0.00 0.00 177.57 176.88 3if5 s LEU 180 N -7.32 3.14 -0.08 2.57 1.43 -1.22 -4.92 118.68 112.28 3if5 s LEU 180 Ca -0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3if5 s LEU 180 Cb 0.11 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3if5 s LEU 180 CO 0.80 0.16 -0.09 0.00 0.23 0.00 0.00 176.35 177.45 3if5 n GLN 181 N 0.50 0.20 -0.91 1.70 3.00 -1.26 -4.53 117.38 116.09 3if5 n GLN 181 Ca -0.12 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.73 3if5 n GLN 181 Cb 0.53 -1.04 0.16 0.00 0.00 0.00 0.00 30.24 29.89 3if5 n GLN 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3if5 n ASP 182 N -2.98 -1.10 -4.80 1.08 10.43 -1.26 -5.00 116.55 112.92 3if5 n ASP 182 Ca -0.16 -1.08 -0.34 0.00 2.57 0.00 0.00 54.79 55.79 3if5 n ASP 182 Cb 0.64 -0.68 -0.01 0.00 1.84 0.00 0.00 41.12 42.91 3if5 n ASP 182 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3if5 s SER 183 N -3.77 6.02 0.15 -2.24 1.04 -1.26 -4.92 113.70 108.73 3if5 s SER 183 Ca 0.49 1.91 -0.16 0.00 0.48 0.00 0.00 55.95 58.67 3if5 s SER 183 Cb -0.03 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.58 3if5 s SER 183 CO 0.36 -1.00 1.77 0.00 0.98 0.00 0.00 173.24 175.35 3if5 h ALA 184 N 1.03 0.44 -0.91 5.32 0.00 -1.95 -2.07 119.26 121.13 3if5 h ALA 184 Ca -0.48 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3if5 h ALA 184 Cb 1.23 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3if5 h ALA 184 CO 0.58 -0.20 0.59 0.93 0.00 0.00 0.00 179.25 181.15 3if5 h GLU 185 N 0.35 1.20 0.13 0.00 4.39 -1.94 -1.22 114.58 117.50 3if5 h GLU 185 Ca 0.16 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3if5 h GLU 185 Cb 0.08 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3if5 h GLU 185 CO -0.12 0.81 -0.06 1.49 -1.16 0.00 0.00 179.01 179.97 3if5 h GLU 186 N 1.24 -0.17 -0.42 2.33 4.81 -1.81 -1.22 114.58 119.33 3if5 h GLU 186 Ca 0.33 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3if5 h GLU 186 Cb -0.12 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3if5 h GLU 186 CO -0.07 0.07 -0.06 0.82 -0.73 0.00 0.00 179.01 179.04 3if5 h ILE 187 N -0.40 1.24 -0.36 2.32 1.08 -1.30 -2.20 117.51 117.89 3if5 h ILE 187 Ca -0.02 -1.06 -0.12 0.00 -0.39 0.00 0.00 64.86 63.27 3if5 h ILE 187 Cb 0.32 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3if5 h ILE 187 CO 0.03 0.36 -0.26 0.58 -0.69 0.00 0.00 178.15 178.18 3if5 h VAL 188 N 0.67 1.27 -0.70 1.67 2.07 -1.19 -1.75 116.25 118.30 3if5 h VAL 188 Ca 0.12 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 3if5 h VAL 188 Cb 0.51 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3if5 h VAL 188 CO 0.03 0.45 0.22 0.00 0.02 0.00 0.00 177.57 178.29 3if5 h ALA 189 N 1.09 0.91 -0.38 1.67 0.00 -0.92 -1.15 119.26 120.47 3if5 h ALA 189 Ca 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3if5 h ALA 189 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3if5 h ALA 189 CO 0.06 0.59 0.00 0.78 0.00 0.00 0.00 179.25 180.68 3if5 h GLY 190 N 1.02 0.73 1.10 0.00 0.00 -1.20 -2.03 103.07 102.69 3if5 h GLY 190 Ca 0.22 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3if5 h GLY 190 CO -0.01 0.49 0.24 -1.82 0.00 0.00 0.00 176.54 175.45 3if5 h TYR 191 N 0.50 1.16 -0.15 5.60 3.20 -1.17 -1.06 116.97 125.06 3if5 h TYR 191 Ca 0.11 -0.11 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 3if5 h TYR 191 Cb 0.46 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3if5 h TYR 191 CO 0.04 0.91 -0.53 0.28 -1.64 0.00 0.00 178.16 177.22 3if5 h VAL 192 N 1.09 1.34 -0.30 1.81 2.07 -1.14 -1.28 116.25 119.84 3if5 h VAL 192 Ca 0.24 -1.79 -0.14 0.00 0.82 0.00 0.00 66.70 65.83 3if5 h VAL 192 Cb 0.28 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3if5 h VAL 192 CO -0.01 0.55 -0.37 0.00 0.02 0.00 0.00 177.57 177.76 3if5 h ALA 193 N 1.11 0.45 -0.87 1.67 0.00 -1.24 -2.57 119.26 117.81 3if5 h ALA 193 Ca 0.01 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.60 3if5 h ALA 193 Cb 1.04 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 3if5 h ALA 193 CO 0.09 0.53 0.49 0.37 0.00 0.00 0.00 179.25 180.73 3if5 h GLN 194 N 0.55 0.74 0.00 0.00 4.15 -0.96 0.17 115.11 119.75 3if5 h GLN 194 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3if5 h GLN 194 Cb 0.95 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.48 3if5 h GLN 194 CO 0.09 0.49 0.00 0.00 -1.93 0.00 0.00 178.83 177.48 3if5 n ALA 196 N -1.70 2.51 -1.89 0.00 0.00 0.57 -0.13 120.51 119.87 3if5 n ALA 196 Ca 0.04 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 3if5 n ALA 196 Cb 0.30 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 3if5 n ALA 196 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3if5 s VAL 197 N -1.88 2.81 0.18 0.00 1.01 -1.11 -0.87 120.40 120.53 3if5 s VAL 197 Ca 0.34 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 3if5 s VAL 197 Cb 0.20 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 3if5 s VAL 197 CO 0.31 0.01 0.92 -0.76 0.00 0.00 0.00 175.10 175.57 3if5 s LEU 198 N 2.16 4.58 0.19 3.92 1.43 0.48 -0.84 118.68 130.60 3if5 s LEU 198 Ca 0.74 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 3if5 s LEU 198 Cb -0.42 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.26 3if5 s LEU 198 CO 0.32 0.09 0.38 0.68 0.23 0.00 0.00 176.35 178.05 3if5 s VAL 199 N -0.74 0.04 0.39 -1.59 -7.23 -0.37 -4.49 120.40 106.42 3if5 s VAL 199 Ca 0.42 -1.24 0.08 0.00 -1.81 0.00 0.00 61.98 59.43 3if5 s VAL 199 Cb -0.24 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.79 3if5 s VAL 199 CO 0.30 -0.19 0.07 0.42 -0.31 0.00 0.00 175.10 175.39 3if5 s THR 200 N -3.95 2.30 0.38 5.32 -4.23 -1.26 -0.68 115.64 113.51 3if5 s THR 200 Ca 0.16 -1.89 0.09 0.00 -1.18 0.00 0.00 61.69 58.87 3if5 s THR 200 Cb 0.02 -2.93 0.31 0.00 1.34 0.00 0.00 72.50 71.24 3if5 s THR 200 CO 0.01 -0.07 1.93 0.58 -0.54 0.00 0.00 174.62 176.54 3if5 h VAL 201 N 1.66 0.93 -0.15 2.29 2.07 -1.68 -1.02 116.25 120.34 3if5 h VAL 201 Ca -0.43 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.72 3if5 h VAL 201 Cb 1.25 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3if5 h VAL 201 CO 0.72 0.12 -0.52 0.11 0.02 0.00 0.00 177.57 178.02 3if5 h LYS 202 N 0.66 0.43 -0.40 1.57 1.57 -1.74 -2.42 116.57 116.24 3if5 h LYS 202 Ca 0.35 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3if5 h LYS 202 Cb 0.49 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3if5 h LYS 202 CO -0.13 0.84 0.14 -0.44 -0.57 0.00 0.00 179.45 179.29 3if5 h ASP 203 N 0.33 0.57 -0.84 0.86 3.32 -1.50 -1.77 116.42 117.39 3if5 h ASP 203 Ca 0.01 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.88 3if5 h ASP 203 Cb 1.03 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 3if5 h ASP 203 CO 0.09 0.60 0.55 -0.07 -1.72 0.00 0.00 179.24 178.70 3if5 h LEU 204 N 0.49 0.97 -0.48 1.55 3.38 -1.32 0.29 115.31 120.19 3if5 h LEU 204 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3if5 h LEU 204 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3if5 h LEU 204 CO -0.01 0.71 0.09 0.00 0.09 0.00 0.00 178.44 179.32 3if5 h ALA 205 N 1.30 0.64 0.15 1.53 0.00 -1.22 0.53 119.26 122.19 3if5 h ALA 205 Ca 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3if5 h ALA 205 Cb -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3if5 h ALA 205 CO -0.07 0.36 -0.07 0.28 0.00 0.00 0.00 179.25 179.75 3if5 h VAL 206 N 0.67 0.95 -0.61 0.00 2.07 -0.99 -0.82 116.25 117.52 3if5 h VAL 206 Ca 0.15 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.30 3if5 h VAL 206 Cb 0.38 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 3if5 h VAL 206 CO 0.01 0.11 0.21 0.24 0.02 0.00 0.00 177.57 178.16 3if5 h MET 207 N -0.43 0.37 -0.19 1.57 2.07 -0.27 -0.89 114.93 117.16 3if5 h MET 207 Ca -0.02 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 3if5 h MET 207 Cb 0.34 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 3if5 h MET 207 CO 0.03 0.24 -0.06 0.78 1.07 0.00 0.00 176.91 178.97 3if5 h GLY 208 N 0.38 0.32 1.54 8.32 0.00 0.27 -2.63 103.07 111.26 3if5 h GLY 208 Ca 0.31 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 3if5 h GLY 208 CO -0.32 0.17 -0.33 0.00 0.00 0.00 0.00 176.54 176.05 3if5 h ALA 209 N 1.66 0.97 -0.83 3.60 0.00 0.25 -0.04 119.26 124.87 3if5 h ALA 209 Ca 0.06 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3if5 h ALA 209 Cb 0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3if5 h ALA 209 CO 0.01 0.61 0.54 0.00 0.00 0.00 0.00 179.25 180.41 3if5 h LEU 211 N 1.06 0.73 -2.47 0.00 3.38 -1.41 0.24 115.31 116.84 3if5 h LEU 211 Ca 0.32 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3if5 h LEU 211 Cb -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3if5 h LEU 211 CO -0.10 1.03 -0.02 0.00 0.09 0.00 0.00 178.44 179.44 3if5 h ALA 212 N 0.72 1.34 -0.16 1.53 0.00 -0.06 -2.17 119.26 120.46 3if5 h ALA 212 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3if5 h ALA 212 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3if5 h ALA 212 CO 0.06 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.59 3if5 n THR 213 N -3.60 0.18 -0.43 0.00 -2.24 -0.21 0.86 114.28 108.84 3if5 n THR 213 Ca -0.03 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3if5 n THR 213 Cb 0.11 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3if5 n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if5 n GLY 214 N 1.34 0.77 0.00 3.38 0.00 -0.82 -4.17 105.19 105.69 3if5 n GLY 214 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3if5 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if5 n GLY 215 N -2.43 1.21 3.66 -0.02 0.00 0.83 -3.08 105.19 105.35 3if5 n GLY 215 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3if5 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3if5 s ILE 216 N -2.00 5.21 0.02 -0.61 -1.09 -1.22 -0.20 121.20 121.31 3if5 s ILE 216 Ca 0.00 0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 3if5 s ILE 216 Cb 0.00 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 3if5 s ILE 216 CO 0.00 0.24 1.41 -2.28 -1.23 0.00 0.00 174.94 173.09 3if5 s HIS 217 N 1.43 2.88 0.40 3.97 2.46 0.41 -4.38 115.29 122.46 3if5 s HIS 217 Ca 0.17 0.81 0.12 0.00 0.47 0.00 0.00 55.06 56.62 3if5 s HIS 217 Cb -0.15 -3.68 0.83 0.00 -0.13 0.00 0.00 32.58 29.45 3if5 s HIS 217 CO 0.08 -2.51 1.91 -1.00 -2.47 0.00 0.00 174.74 170.75 3if5 h PRO 218 N 7.73 0.10 0.00 2.88 0.13 -1.88 0.56 132.00 141.52 3if5 h PRO 218 Ca -0.39 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 3if5 h PRO 218 Cb 1.18 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3if5 h PRO 218 CO 0.90 0.32 -0.80 0.52 -0.23 0.00 0.00 178.00 178.71 3if5 h MET 219 N 0.10 0.00 0.00 0.86 2.86 -1.88 -3.25 114.93 113.62 3if5 h MET 219 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3if5 h MET 219 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3if5 h MET 219 CO 0.03 0.80 -1.23 0.25 1.06 0.00 0.00 176.91 177.81 3if5 n THR 220 N -3.31 0.06 -0.79 2.22 -2.24 -1.17 -5.00 114.28 104.05 3if5 n THR 220 Ca 0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3if5 n THR 220 Cb 0.85 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3if5 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if5 n GLY 221 N 2.34 1.24 3.81 3.38 0.00 0.20 -5.01 105.19 111.15 3if5 n GLY 221 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3if5 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3if5 s GLU 222 N -0.07 4.05 -0.40 1.61 2.12 -1.25 -4.67 118.70 120.08 3if5 s GLU 222 Ca 0.00 1.22 -0.21 0.00 0.36 0.00 0.00 54.97 56.34 3if5 s GLU 222 Cb 0.00 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.26 3if5 s GLU 222 CO 0.00 -0.20 0.68 0.50 -0.54 0.00 0.00 175.26 175.70 3if5 s ARG 223 N -3.20 3.53 -0.02 4.30 3.52 -1.26 -0.45 118.95 125.38 3if5 s ARG 223 Ca 0.64 -0.06 0.11 0.00 -0.13 0.00 0.00 55.73 56.30 3if5 s ARG 223 Cb -0.12 -3.87 -0.23 0.00 -1.56 0.00 0.00 34.95 29.17 3if5 s ARG 223 CO 0.16 -0.89 0.76 0.52 -0.81 0.00 0.00 175.30 175.04 3if5 h MET 224 N 8.67 0.00 -3.68 5.12 2.86 -0.95 -3.48 114.93 123.48 3if5 h MET 224 Ca -0.26 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.18 3if5 h MET 224 Cb 1.10 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.51 3if5 h MET 224 CO 0.88 0.59 -0.64 -0.51 1.06 0.00 0.00 176.91 178.29 3if5 s LEU 225 N -6.21 1.87 0.47 1.22 1.43 -1.05 -5.08 118.68 111.33 3if5 s LEU 225 Ca -0.04 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 3if5 s LEU 225 Cb 0.08 0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.46 3if5 s LEU 225 CO 0.82 -0.14 1.30 -2.16 0.23 0.00 0.00 176.35 176.41 3if5 s PRO 226 N -0.53 3.64 0.45 1.29 0.04 -1.26 -4.33 135.00 134.30 3if5 s PRO 226 Ca -0.06 2.13 0.11 0.00 0.04 0.00 0.00 61.00 63.22 3if5 s PRO 226 Cb -0.04 -2.52 1.02 0.00 0.04 0.00 0.00 34.50 33.01 3if5 s PRO 226 CO 0.00 -0.76 2.07 0.66 0.04 0.00 0.00 177.00 179.01 3if5 h SER 227 N 2.12 0.22 0.52 6.66 4.64 -1.93 -1.84 113.55 123.94 3if5 h SER 227 Ca -0.50 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 3if5 h SER 227 Cb 1.26 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3if5 h SER 227 CO 0.60 0.20 -0.17 -0.29 -0.87 0.00 0.00 176.83 176.31 3if5 h ILE 228 N 0.25 0.61 0.22 0.95 2.10 -1.90 -0.14 117.51 119.61 3if5 h ILE 228 Ca 0.07 -0.75 -0.31 0.00 1.08 0.00 0.00 64.86 64.94 3if5 h ILE 228 Cb 0.05 1.48 0.04 0.00 -1.09 0.00 0.00 36.82 37.30 3if5 h ILE 228 CO -0.01 0.16 -1.36 0.58 -1.08 0.00 0.00 178.15 176.45 3if5 h VAL 229 N 0.00 1.31 -0.61 2.19 2.07 -1.70 -2.78 116.25 116.72 3if5 h VAL 229 Ca -0.00 -2.63 -0.07 0.00 0.82 0.00 0.00 66.70 64.81 3if5 h VAL 229 Cb 0.47 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 3if5 h VAL 229 CO 0.02 0.79 0.09 0.00 0.02 0.00 0.00 177.57 178.49 3if5 h ALA 230 N 0.17 0.81 -0.64 1.67 0.00 -1.22 -1.71 119.26 118.34 3if5 h ALA 230 Ca -0.23 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.47 3if5 h ALA 230 Cb 2.06 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 3if5 h ALA 230 CO 0.26 0.58 0.35 -0.09 0.00 0.00 0.00 179.25 180.34 3if5 h ARG 231 N 0.93 0.62 -0.03 0.00 2.43 -1.08 -0.68 114.38 116.57 3if5 h ARG 231 Ca 0.19 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3if5 h ARG 231 Cb 0.44 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3if5 h ARG 231 CO 0.01 0.41 0.01 -0.09 -1.51 0.00 0.00 179.97 178.80 3if5 h ARG 232 N 0.64 0.04 -0.54 0.20 9.65 -1.19 -1.69 114.38 121.49 3if5 h ARG 232 Ca 0.29 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.19 3if5 h ARG 232 Cb 0.20 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 3if5 h ARG 232 CO -0.19 0.24 0.31 0.28 2.80 0.00 0.00 179.97 183.41 3if5 h VAL 233 N -0.16 1.02 0.00 0.20 2.07 -0.88 -1.38 116.25 117.13 3if5 h VAL 233 Ca 0.01 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 3if5 h VAL 233 Cb 0.21 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3if5 h VAL 233 CO -0.00 0.11 -0.46 0.58 0.02 0.00 0.00 177.57 177.82 3if5 h VAL 234 N 0.60 1.27 -0.11 2.57 2.07 -1.12 -0.91 116.25 120.62 3if5 h VAL 234 Ca 0.22 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3if5 h VAL 234 Cb 0.07 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3if5 h VAL 234 CO -0.12 0.45 0.02 0.28 0.02 0.00 0.00 177.57 178.22 3if5 h SER 235 N 0.00 0.17 0.26 0.57 0.02 -0.57 -1.08 113.55 112.92 3if5 h SER 235 Ca -0.00 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 3if5 h SER 235 Cb 0.85 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3if5 h SER 235 CO 0.06 0.38 -0.40 0.58 -1.14 0.00 0.00 176.83 176.30 3if5 h VAL 236 N -0.05 1.31 -0.81 2.27 2.07 -1.15 -0.69 116.25 119.20 3if5 h VAL 236 Ca 0.03 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 3if5 h VAL 236 Cb 0.28 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3if5 h VAL 236 CO 0.00 0.44 0.34 0.24 0.02 0.00 0.00 177.57 178.61 3if5 h MET 237 N 0.17 1.21 -0.01 1.57 2.86 -0.96 1.00 114.93 120.76 3if5 h MET 237 Ca 0.02 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3if5 h MET 237 Cb 0.79 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3if5 h MET 237 CO 0.06 0.96 -0.01 1.15 1.06 0.00 0.00 176.91 180.14 3if5 h THR 238 N 1.18 1.32 0.00 2.22 2.02 -0.51 0.16 112.91 119.30 3if5 h THR 238 Ca 0.27 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 3if5 h THR 238 Cb 0.20 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3if5 h THR 238 CO -0.02 0.25 -0.20 0.77 0.37 0.00 0.00 175.52 176.68 3if5 h SER 239 N -0.37 0.00 0.00 4.18 4.64 -1.09 -3.40 113.55 117.52 3if5 h SER 239 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3if5 h SER 239 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3if5 h SER 239 CO 0.00 0.20 -0.44 -1.20 -0.87 0.00 0.00 176.83 174.53 3if5 n SER 240 N -3.17 2.19 -0.29 4.97 7.64 0.33 -4.57 113.62 120.71 3if5 n SER 240 Ca 0.03 -0.06 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 3if5 n SER 240 Cb 0.58 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.34 3if5 n SER 240 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3if5 h GLY 241 N 0.00 -0.17 -3.77 0.23 0.00 -0.49 0.72 103.07 99.59 3if5 h GLY 241 Ca 0.00 0.53 -0.52 0.00 0.00 0.00 0.00 47.33 47.33 3if5 h GLY 241 CO 0.00 -0.18 0.68 1.03 0.00 0.00 0.00 176.54 178.07 3if5 n MET 242 N -5.43 2.30 0.00 4.80 2.81 -1.26 -4.73 117.12 115.61 3if5 n MET 242 Ca 0.06 -2.60 0.00 0.00 -1.81 0.00 0.00 57.70 53.34 3if5 n MET 242 Cb 0.36 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 3if5 n MET 242 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3if5 n TYR 243 N -0.51 0.00 1.50 2.03 4.02 0.24 -1.89 117.16 122.55 3if5 n TYR 243 Ca 0.50 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.54 3if5 n TYR 243 Cb 0.77 0.00 0.65 0.00 -0.02 0.00 0.00 39.34 40.74 3if5 n TYR 243 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3if5 n ASP 244 N 3.16 0.52 -1.68 7.72 8.00 -1.26 -2.85 116.55 130.17 3if5 n ASP 244 Ca 0.00 -0.74 0.07 0.00 0.71 0.00 0.00 54.79 54.84 3if5 n ASP 244 Cb 0.00 -0.06 0.36 0.00 -0.02 0.00 0.00 41.12 41.40 3if5 n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3if5 n ALA 245 N -0.83 3.50 0.17 2.24 0.00 -0.79 -4.31 120.51 120.48 3if5 n ALA 245 Ca 0.16 -1.64 0.02 0.00 0.00 0.00 0.00 53.44 51.98 3if5 n ALA 245 Cb 0.26 -1.08 0.30 0.00 0.00 0.00 0.00 19.45 18.92 3if5 n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if5 h ALA 246 N 3.93 1.12 -0.08 0.00 0.00 -1.32 -1.27 119.26 121.65 3if5 h ALA 246 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3if5 h ALA 246 Cb 1.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3if5 h ALA 246 CO 0.36 0.57 -0.04 0.78 0.00 0.00 0.00 179.25 180.93 3if5 h GLY 247 N 1.64 0.18 1.16 0.00 0.00 -1.86 0.16 103.07 104.35 3if5 h GLY 247 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3if5 h GLY 247 CO 0.06 0.15 -0.23 0.06 0.00 0.00 0.00 176.54 176.58 3if5 h GLN 248 N -0.22 0.95 -0.70 4.80 3.07 -1.86 -2.46 115.11 118.69 3if5 h GLN 248 Ca 0.02 -0.41 -0.07 0.00 0.09 0.00 0.00 58.65 58.27 3if5 h GLN 248 Cb 0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 3if5 h GLN 248 CO 0.01 1.08 0.15 2.35 0.09 0.00 0.00 178.83 182.50 3if5 h TRP 249 N 0.82 1.19 -0.60 0.06 2.91 -1.20 0.33 115.95 119.45 3if5 h TRP 249 Ca 0.10 -0.15 -0.06 0.00 1.13 0.00 0.00 58.89 59.91 3if5 h TRP 249 Cb 0.80 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 3if5 h TRP 249 CO 0.05 0.98 0.16 1.25 -1.03 0.00 0.00 178.44 179.85 3if5 h LEU 250 N 1.06 0.91 0.04 0.65 7.12 -0.60 0.34 115.31 124.83 3if5 h LEU 250 Ca 0.22 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 3if5 h LEU 250 Cb 0.41 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 3if5 h LEU 250 CO 0.01 0.90 -0.02 0.00 -0.13 0.00 0.00 178.44 179.19 3if5 h ALA 251 N 1.05 -0.06 -0.04 1.25 0.00 -1.15 -1.84 119.26 118.46 3if5 h ALA 251 Ca 0.19 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3if5 h ALA 251 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3if5 h ALA 251 CO -0.00 -0.26 -0.65 -0.44 0.00 0.00 0.00 179.25 177.90 3if5 h ASP 252 N -0.60 0.21 0.00 0.00 3.32 -0.35 -3.40 116.42 115.60 3if5 h ASP 252 Ca -0.01 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3if5 h ASP 252 Cb 0.53 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3if5 h ASP 252 CO 0.01 0.80 -1.18 0.52 -1.72 0.00 0.00 179.24 177.67 3if5 n VAL 253 N -3.82 0.18 -1.62 -1.35 0.31 0.03 -4.89 118.33 107.17 3if5 n VAL 253 Ca -0.02 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 3if5 n VAL 253 Cb 0.65 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 32.59 3if5 n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3if5 n GLY 254 N 3.15 0.92 3.13 2.92 0.00 -0.69 -4.54 105.19 110.07 3if5 n GLY 254 Ca -0.06 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3if5 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3if5 s ILE 255 N -2.52 2.24 0.11 -0.61 1.01 -1.26 -0.25 121.20 119.92 3if5 s ILE 255 Ca 0.00 -1.06 -0.33 0.00 0.00 0.00 0.00 60.65 59.26 3if5 s ILE 255 Cb 0.00 -2.04 -0.13 0.00 0.01 0.00 0.00 42.46 40.30 3if5 s ILE 255 CO 0.00 0.39 1.69 -2.65 0.00 0.00 0.00 174.94 174.36 3if5 n PRO 256 N 4.60 2.31 -3.91 2.79 -0.02 -1.26 -4.88 135.00 134.62 3if5 n PRO 256 Ca -0.19 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3if5 n PRO 256 Cb 0.48 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 3if5 n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3if5 s ALA 257 N 1.80 -0.46 -0.17 3.55 0.00 -1.26 -1.76 121.76 123.46 3if5 s ALA 257 Ca 0.82 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 3if5 s ALA 257 Cb -0.64 0.96 0.05 0.00 0.00 0.00 0.00 23.12 23.50 3if5 s ALA 257 CO 0.40 -0.82 0.43 0.21 0.00 0.00 0.00 175.76 175.97 3if5 s LYS 258 N -3.96 0.44 0.21 0.00 2.47 -0.72 -4.15 119.74 114.03 3if5 s LYS 258 Ca 0.17 0.74 0.07 0.00 -1.56 0.00 0.00 55.97 55.39 3if5 s LYS 258 Cb -0.00 0.07 -0.04 0.00 -1.46 0.00 0.00 37.83 36.40 3if5 s LYS 258 CO 0.04 -0.12 0.06 0.45 0.16 0.00 0.00 175.35 175.94 3if5 s SER 259 N 1.01 5.00 0.18 1.43 0.15 -1.26 -0.61 113.70 119.60 3if5 s SER 259 Ca -0.06 -0.39 0.10 0.00 0.70 0.00 0.00 55.95 56.30 3if5 s SER 259 Cb -0.06 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 3if5 s SER 259 CO -0.08 0.04 -0.21 -0.83 1.20 0.00 0.00 173.24 173.35 3if5 s GLY 260 N -3.35 1.57 0.00 9.45 0.00 0.38 -4.02 107.32 111.34 3if5 s GLY 260 Ca 0.30 -1.58 0.17 0.00 0.00 0.00 0.00 44.72 43.61 3if5 s GLY 260 CO 0.21 -1.62 1.44 3.33 0.00 0.00 0.00 173.10 176.45 3if5 n VAL 261 N 0.23 0.11 1.24 1.40 0.24 -1.26 -2.25 118.33 118.04 3if5 n VAL 261 Ca -0.12 0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.33 3if5 n VAL 261 Cb 0.57 -0.76 0.37 0.00 -1.47 0.00 0.00 33.84 32.54 3if5 n VAL 261 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3if5 n ALA 262 N -1.06 3.08 0.00 2.33 0.00 -1.26 -4.27 120.51 119.33 3if5 n ALA 262 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3if5 n ALA 262 Cb 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3if5 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3if5 n GLY 263 N 1.34 0.77 3.84 0.00 0.00 -0.95 -4.05 105.19 106.13 3if5 n GLY 263 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3if5 n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3if5 s GLY 264 N -0.60 2.50 -0.06 -0.02 0.00 -1.24 -1.42 107.32 106.48 3if5 s GLY 264 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.71 3if5 s GLY 264 CO 0.00 0.27 -0.07 0.14 0.00 0.00 0.00 173.10 173.44 3if5 s VAL 265 N -1.52 0.75 -0.13 1.40 1.01 -0.06 -0.47 120.40 121.38 3if5 s VAL 265 Ca 0.41 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3if5 s VAL 265 Cb -0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3if5 s VAL 265 CO 0.20 0.28 0.06 -0.22 0.00 0.00 0.00 175.10 175.42 3if5 s LEU 266 N 0.95 3.89 0.01 3.92 0.20 0.22 -1.67 118.68 126.20 3if5 s LEU 266 Ca -0.10 0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.95 3if5 s LEU 266 Cb -0.15 -1.94 -0.01 0.00 -0.43 0.00 0.00 46.19 43.66 3if5 s LEU 266 CO 0.00 0.31 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.48 3if5 s GLY 267 N -0.48 0.40 -0.30 7.98 0.00 -0.35 -1.75 107.32 112.84 3if5 s GLY 267 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3if5 s GLY 267 CO 0.02 -0.46 0.31 0.00 0.00 0.00 0.00 173.10 172.97 3if5 s ALA 268 N -0.61 -0.54 -0.50 3.20 0.00 -0.73 -0.79 121.76 121.81 3if5 s ALA 268 Ca -0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 3if5 s ALA 268 Cb -0.05 -1.86 0.09 0.00 0.00 0.00 0.00 23.12 21.30 3if5 s ALA 268 CO 0.00 -1.76 0.45 -1.17 0.00 0.00 0.00 175.76 173.28 3if5 s LEU 269 N 2.29 5.74 -0.38 0.00 2.96 -0.30 -4.15 118.68 124.83 3if5 s LEU 269 Ca 0.10 -1.43 -0.45 0.00 -0.22 0.00 0.00 54.13 52.13 3if5 s LEU 269 Cb -0.14 -2.21 -0.19 0.00 0.50 0.00 0.00 46.19 44.15 3if5 s LEU 269 CO -0.30 -0.73 1.56 -0.81 -1.32 0.00 0.00 176.35 174.74 3if5 n PRO 270 N 5.30 0.24 -0.06 0.98 -0.04 -1.26 -0.91 135.00 139.26 3if5 n PRO 270 Ca -0.12 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3if5 n PRO 270 Cb 0.43 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3if5 n PRO 270 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3if5 n GLY 271 N 3.70 2.84 0.92 0.55 0.00 0.25 -4.82 105.19 108.63 3if5 n GLY 271 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 3if5 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if5 n ARG 272 N -2.00 0.06 -3.50 1.61 1.74 -0.09 -4.89 116.66 109.59 3if5 n ARG 272 Ca 0.00 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 57.02 3if5 n ARG 272 Cb 0.00 -0.61 -0.02 0.00 -1.02 0.00 0.00 32.46 30.82 3if5 n ARG 272 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3if5 s VAL 273 N -2.07 0.00 -0.07 1.55 -7.23 -0.96 -4.09 120.40 107.53 3if5 s VAL 273 Ca -0.04 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 3if5 s VAL 273 Cb 0.01 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3if5 s VAL 273 CO 0.05 0.00 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.96 3if5 s GLY 274 N -2.53 1.75 0.08 2.32 0.00 0.07 -1.15 107.32 107.86 3if5 s GLY 274 Ca 0.05 -0.87 0.10 0.00 0.00 0.00 0.00 44.72 43.99 3if5 s GLY 274 CO -0.09 -0.65 -0.26 -0.42 0.00 0.00 0.00 173.10 171.67 3if5 s ILE 275 N -0.85 2.14 -0.02 0.90 1.01 0.03 -0.66 121.20 123.75 3if5 s ILE 275 Ca 0.13 -1.52 -0.00 0.00 0.00 0.00 0.00 60.65 59.26 3if5 s ILE 275 Cb -0.11 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.53 3if5 s ILE 275 CO 0.02 0.24 0.03 -0.83 0.00 0.00 0.00 174.94 174.40 3if5 s GLY 276 N -1.57 0.10 0.02 6.18 0.00 -0.02 -1.21 107.32 110.82 3if5 s GLY 276 Ca 0.12 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.17 3if5 s GLY 276 CO 0.04 0.73 -0.05 0.14 0.00 0.00 0.00 173.10 173.96 3if5 s VAL 277 N 1.12 0.36 -0.03 1.40 1.01 -0.67 -0.54 120.40 123.06 3if5 s VAL 277 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3if5 s VAL 277 Cb -0.13 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.89 3if5 s VAL 277 CO -0.03 -0.16 -0.00 0.12 0.00 0.00 0.00 175.10 175.03 3if5 s PHE 278 N -0.73 0.29 -0.30 5.22 5.36 0.17 -0.88 117.98 127.11 3if5 s PHE 278 Ca -0.05 0.00 -0.12 0.00 -0.96 0.00 0.00 56.93 55.81 3if5 s PHE 278 Cb -0.06 -0.37 0.18 0.00 -0.34 0.00 0.00 43.02 42.43 3if5 s PHE 278 CO -0.00 -0.11 1.05 0.45 -1.46 0.00 0.00 175.22 175.15 3if5 s SER 279 N 0.91 -0.43 0.34 6.13 0.15 -0.51 -1.22 113.70 119.08 3if5 s SER 279 Ca -0.09 0.11 0.11 0.00 0.70 0.00 0.00 55.95 56.77 3if5 s SER 279 Cb -0.12 1.29 1.03 0.00 -1.71 0.00 0.00 66.02 66.51 3if5 s SER 279 CO -0.02 -0.08 1.55 -2.65 1.20 0.00 0.00 173.24 173.25 3if5 n PRO 280 N 5.22 -0.07 -2.38 5.44 -0.02 -1.26 -4.38 135.00 137.56 3if5 n PRO 280 Ca 0.04 1.42 -0.42 0.00 -2.02 0.00 0.00 63.50 62.53 3if5 n PRO 280 Cb 0.57 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3if5 n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3if5 s ARG 281 N -5.75 4.44 0.03 -0.52 0.52 -1.26 -4.29 118.95 112.10 3if5 s ARG 281 Ca -0.11 1.84 -0.01 0.00 -0.52 0.00 0.00 55.73 56.93 3if5 s ARG 281 Cb 0.31 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3if5 s ARG 281 CO 0.77 -0.23 0.15 -0.51 0.02 0.00 0.00 175.30 175.50 3if5 s LEU 282 N 0.70 4.18 0.00 2.53 1.43 0.17 -0.44 118.68 127.26 3if5 s LEU 282 Ca 0.58 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3if5 s LEU 282 Cb -0.31 -2.63 0.13 0.00 0.03 0.00 0.00 46.19 43.41 3if5 s LEU 282 CO 0.31 0.22 0.75 -0.90 0.23 0.00 0.00 176.35 176.97 3if5 n ASP 283 N 0.73 0.08 0.19 2.29 5.68 0.29 -2.00 116.55 123.80 3if5 n ASP 283 Ca -0.09 -1.28 0.18 0.00 -0.50 0.00 0.00 54.79 53.10 3if5 n ASP 283 Cb 0.52 -0.57 0.82 0.00 -1.14 0.00 0.00 41.12 40.75 3if5 n ASP 283 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3if5 h GLU 284 N 0.00 0.00 -0.49 0.11 4.11 -1.98 -2.18 114.58 114.14 3if5 h GLU 284 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 3if5 h GLU 284 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3if5 h GLU 284 CO 0.17 0.00 0.00 1.33 0.07 0.00 0.00 179.01 180.58 3if5 n VAL 285 N -3.59 1.62 -0.27 -1.06 0.24 -1.26 -4.98 118.33 109.02 3if5 n VAL 285 Ca 0.03 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 3if5 n VAL 285 Cb 0.42 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3if5 n VAL 285 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3if5 n GLY 286 N 0.67 0.86 3.91 7.63 0.00 -0.82 -5.07 105.19 112.38 3if5 n GLY 286 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3if5 n GLY 286 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3if5 s ASN 287 N -2.94 6.43 -0.09 1.61 0.01 -1.26 -4.60 114.94 114.10 3if5 s ASN 287 Ca 0.00 0.50 -0.34 0.00 -0.71 0.00 0.00 52.86 52.31 3if5 s ASN 287 Cb 0.00 -2.05 -0.12 0.00 0.41 0.00 0.00 41.25 39.49 3if5 s ASN 287 CO 0.00 -0.03 1.90 -0.24 -1.51 0.00 0.00 177.10 177.22 3if5 n SER 288 N -0.44 3.48 0.04 -1.22 2.88 -1.26 -0.55 113.62 116.54 3if5 n SER 288 Ca -0.04 0.96 -0.07 0.00 -1.33 0.00 0.00 58.87 58.40 3if5 n SER 288 Cb 0.53 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.57 3if5 n SER 288 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3if5 h ALA 289 N 9.39 -0.72 0.00 -1.46 0.00 -1.00 0.93 119.26 126.41 3if5 h ALA 289 Ca -0.48 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3if5 h ALA 289 Cb 1.27 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3if5 h ALA 289 CO 0.95 -0.77 -0.39 0.00 0.00 0.00 0.00 179.25 179.03 3if5 h ARG 290 N -0.30 0.00 -0.38 0.00 3.08 -1.86 -2.24 114.38 112.69 3if5 h ARG 290 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3if5 h ARG 290 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3if5 h ARG 290 CO -0.13 0.39 0.23 0.78 -1.07 0.00 0.00 179.97 180.17 3if5 h GLY 291 N 1.78 0.55 1.00 0.04 0.00 -1.79 0.59 103.07 105.25 3if5 h GLY 291 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3if5 h GLY 291 CO 0.05 0.22 0.06 -2.08 0.00 0.00 0.00 176.54 174.80 3if5 h VAL 292 N 0.49 1.26 -0.40 4.60 2.07 -0.72 -2.50 116.25 121.05 3if5 h VAL 292 Ca 0.14 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3if5 h VAL 292 Cb 0.01 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3if5 h VAL 292 CO -0.03 0.35 0.19 0.25 0.02 0.00 0.00 177.57 178.36 3if5 h LEU 293 N 0.76 0.53 -0.99 2.57 5.85 -0.79 -2.44 115.31 120.79 3if5 h LEU 293 Ca 0.16 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3if5 h LEU 293 Cb 0.44 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3if5 h LEU 293 CO 0.01 0.51 0.64 0.00 -0.34 0.00 0.00 178.44 179.26 3if5 h ALA 294 N 1.04 1.34 -0.34 1.25 0.00 0.32 -2.12 119.26 120.75 3if5 h ALA 294 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3if5 h ALA 294 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3if5 h ALA 294 CO -0.02 0.49 0.13 0.00 0.00 0.00 0.00 179.25 179.86 3if5 h ARG 296 N 0.40 0.90 -0.11 0.00 2.43 -1.01 -1.80 114.38 115.20 3if5 h ARG 296 Ca 0.11 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3if5 h ARG 296 Cb 0.19 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3if5 h ARG 296 CO -0.01 0.60 -0.01 0.00 -1.51 0.00 0.00 179.97 179.04 3if5 h ARG 297 N 0.93 0.19 -0.52 0.20 2.47 -0.90 -1.27 114.38 115.49 3if5 h ARG 297 Ca 0.33 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 59.00 3if5 h ARG 297 Cb 0.13 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 3if5 h ARG 297 CO -0.11 0.46 0.34 -0.07 0.56 0.00 0.00 179.97 181.15 3if5 h LEU 298 N -0.10 0.55 -0.21 3.04 3.38 -0.98 0.17 115.31 121.16 3if5 h LEU 298 Ca 0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3if5 h LEU 298 Cb 0.38 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3if5 h LEU 298 CO 0.01 0.39 -0.17 -1.28 0.09 0.00 0.00 178.44 177.48 3if5 h SER 299 N 0.65 0.52 -0.01 -0.43 0.87 -1.16 -2.58 113.55 111.41 3if5 h SER 299 Ca 0.20 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 3if5 h SER 299 Cb 0.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3if5 h SER 299 CO -0.05 0.86 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.69 3if5 h GLU 300 N 0.18 0.07 -0.25 2.24 5.08 -0.67 -0.83 114.58 120.40 3if5 h GLU 300 Ca 0.04 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3if5 h GLU 300 Cb 0.70 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3if5 h GLU 300 CO 0.04 0.80 -0.31 -0.44 -1.00 0.00 0.00 179.01 178.11 3if5 h ASP 301 N -0.64 0.52 -0.01 1.42 3.32 -0.81 -3.28 116.42 116.94 3if5 h ASP 301 Ca -0.01 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3if5 h ASP 301 Cb 0.83 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3if5 h ASP 301 CO 0.02 0.80 -0.07 0.49 -1.72 0.00 0.00 179.24 178.76 3if5 n PHE 302 N -4.08 0.00 -2.95 4.55 0.99 -0.97 -4.99 117.46 110.01 3if5 n PHE 302 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.24 3if5 n PHE 302 Cb 0.45 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.96 3if5 n PHE 302 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3if5 n ARG 303 N 0.39 -4.47 -2.59 -1.08 1.74 -0.34 -4.89 116.66 105.41 3if5 n ARG 303 Ca 0.06 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 3if5 n ARG 303 Cb 0.27 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 3if5 n ARG 303 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3if5 n LEU 304 N -3.67 5.23 -4.10 0.55 4.77 -1.06 -4.85 117.00 113.87 3if5 n LEU 304 Ca -0.10 -4.09 -0.23 0.00 -0.03 0.00 0.00 56.01 51.55 3if5 n LEU 304 Cb 0.61 -1.70 -0.15 0.00 -2.33 0.00 0.00 43.42 39.84 3if5 n LEU 304 CO 0.43 0.41 -0.48 -2.28 -1.33 0.00 0.00 177.39 174.14 3if5 s HIS 305 N 3.36 1.36 0.31 -1.77 2.46 -1.26 -4.45 115.29 115.30 3if5 s HIS 305 Ca 0.50 -0.32 0.06 0.00 0.47 0.00 0.00 55.06 55.77 3if5 s HIS 305 Cb 0.03 -0.90 0.72 0.00 -0.13 0.00 0.00 32.58 32.29 3if5 s HIS 305 CO 0.04 -0.08 1.81 1.25 -2.47 0.00 0.00 174.74 175.29 3if5 h LEU 306 N 6.05 0.79 -0.05 8.88 5.85 -0.89 0.22 115.31 136.15 3if5 h LEU 306 Ca -0.34 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3if5 h LEU 306 Cb 1.17 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3if5 h LEU 306 CO 0.48 0.34 0.00 0.23 -0.34 0.00 0.00 178.44 179.16 3if5 n MET 307 N -4.68 1.03 -3.31 1.25 2.81 -1.26 -4.55 117.12 108.41 3if5 n MET 307 Ca 0.21 -0.05 -0.46 0.00 -1.81 0.00 0.00 57.70 55.59 3if5 n MET 307 Cb 0.51 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 3if5 n MET 307 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3if5 s ASP 308 N -1.42 6.42 0.20 7.83 2.15 0.06 -5.04 116.67 126.88 3if5 s ASP 308 Ca 0.21 -2.15 -0.31 0.00 0.43 0.00 0.00 52.55 50.73 3if5 s ASP 308 Cb 0.10 -2.21 -0.10 0.00 -0.30 0.00 0.00 42.92 40.40 3if5 s ASP 308 CO 0.16 -0.75 1.51 -0.83 -0.17 0.00 0.00 175.17 175.09 3if5 s GLY 309 N 3.03 1.92 -0.23 2.66 0.00 -1.26 -4.82 107.32 108.61 3if5 s GLY 309 Ca 0.09 1.35 -0.04 0.00 0.00 0.00 0.00 44.72 46.12 3if5 s GLY 309 CO -0.02 2.47 0.14 -0.35 0.00 0.00 0.00 173.10 175.35 3if5 s ASP 310 N 0.79 2.62 0.03 1.64 2.15 -1.26 -5.15 116.67 117.50 3if5 s ASP 310 Ca 0.65 -0.84 -0.03 0.00 0.43 0.00 0.00 52.55 52.77 3if5 s ASP 310 Cb -0.43 -0.14 -0.02 0.00 -0.30 0.00 0.00 42.92 42.04 3if5 s ASP 310 CO 0.37 -0.39 0.02 -0.94 -0.17 0.00 0.00 175.17 174.07 3if5 s SER 311 N 2.17 0.27 0.12 -0.34 1.04 -1.26 -5.06 113.70 110.64 3if5 s SER 311 Ca 0.06 -0.62 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 3if5 s SER 311 Cb -0.16 0.17 -0.06 0.00 0.10 0.00 0.00 66.02 66.08 3if5 s SER 311 CO -0.22 -0.45 1.65 0.25 0.98 0.00 0.00 173.24 175.45 3if5 h LEU 312 N 3.92 -0.64 0.00 2.42 5.85 -1.96 -3.47 115.31 121.42 3if5 h LEU 312 Ca -0.33 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3if5 h LEU 312 Cb 1.18 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3if5 h LEU 312 CO 0.50 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 3if5 n GLY 313 N -1.35 3.52 0.08 3.75 0.00 -1.26 -2.07 105.19 107.87 3if5 n GLY 313 Ca -0.05 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3if5 n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if5 n GLY 314 N 0.00 -1.13 0.07 -0.02 0.00 -1.26 -2.29 105.19 100.56 3if5 n GLY 314 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3if5 n GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3if5 n THR 315 N -1.97 0.99 0.29 2.61 -1.04 -0.88 -1.83 114.28 112.44 3if5 n THR 315 Ca 0.02 0.28 0.18 0.00 -2.04 0.00 0.00 64.05 62.50 3if5 n THR 315 Cb 0.19 -1.15 0.97 0.00 -1.82 0.00 0.00 70.33 68.52 3if5 n THR 315 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3if5 h ALA 316 N 2.33 1.42 -2.15 2.41 0.00 -1.63 -3.31 119.26 118.33 3if5 h ALA 316 Ca 0.00 -0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 3if5 h ALA 316 Cb 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.83 3if5 h ALA 316 CO 0.00 -0.16 -0.14 0.08 0.00 0.00 0.00 179.25 179.03 3if5 s VAL 317 N -4.39 5.22 0.20 0.00 1.01 -0.76 -1.53 120.40 120.14 3if5 s VAL 317 Ca -0.05 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.26 3if5 s VAL 317 Cb 0.13 -4.37 0.12 0.00 0.00 0.00 0.00 36.38 32.26 3if5 s VAL 317 CO 0.46 -0.92 1.83 -0.09 0.00 0.00 0.00 175.10 176.38 3if5 h ARG 318 N 8.79 0.74 0.00 2.72 2.43 -0.39 -3.46 114.38 125.21 3if5 h ARG 318 Ca -0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3if5 h ARG 318 Cb 1.09 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3if5 h ARG 318 CO 1.01 0.49 0.00 1.97 -1.51 0.00 0.00 179.97 181.94 3if5 n PHE 319 N -4.72 0.00 -4.13 2.20 -1.74 -1.18 -5.01 117.46 102.88 3if5 n PHE 319 Ca 0.07 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.61 3if5 n PHE 319 Cb 0.10 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 40.96 3if5 n PHE 319 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3if5 s VAL 320 N -1.94 3.54 -0.27 1.97 1.01 -1.26 -2.06 120.40 121.39 3if5 s VAL 320 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3if5 s VAL 320 Cb 0.00 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.85 3if5 s VAL 320 CO 0.00 0.45 -0.07 -1.61 0.00 0.00 0.00 175.10 173.87 3if5 s GLU 321 N 1.07 2.36 -0.95 2.72 0.41 0.94 -4.95 118.70 120.29 3if5 s GLU 321 Ca 0.01 -1.29 -0.17 0.00 -0.41 0.00 0.00 54.97 53.11 3if5 s GLU 321 Cb -0.15 -2.99 0.15 0.00 -1.78 0.00 0.00 34.13 29.36 3if5 s GLU 321 CO 0.00 -0.57 1.12 0.50 -0.49 0.00 0.00 175.26 175.82 3if5 s ARG 322 N 1.17 3.67 0.05 1.61 6.06 -1.26 0.19 118.95 130.44 3if5 s ARG 322 Ca -0.07 -1.98 -0.34 0.00 -2.50 0.00 0.00 55.73 50.84 3if5 s ARG 322 Cb -0.20 -4.86 -0.19 0.00 0.06 0.00 0.00 34.95 29.76 3if5 s ARG 322 CO -0.04 -1.70 1.43 1.49 -2.50 0.00 0.00 175.30 173.99 3if5 h GLU 323 N 8.45 -1.19 0.00 5.12 4.81 -1.80 -3.48 114.58 126.48 3if5 h GLU 323 Ca 0.17 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3if5 h GLU 323 Cb 1.01 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3if5 h GLU 323 CO 1.07 -0.79 0.00 0.41 -0.73 0.00 0.00 179.01 178.97 3if5 n GLY 324 N -1.39 -1.21 0.03 1.92 0.00 -1.26 -4.95 105.19 98.33 3if5 n GLY 324 Ca -0.15 0.47 0.11 0.00 0.00 0.00 0.00 46.02 46.45 3if5 n GLY 324 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3if5 n ASP 325 N -0.45 0.63 -4.34 1.61 3.85 -1.26 -4.84 116.55 111.75 3if5 n ASP 325 Ca 0.00 -0.30 -0.27 0.00 -0.71 0.00 0.00 54.79 53.51 3if5 n ASP 325 Cb 0.00 0.81 -0.13 0.00 -1.35 0.00 0.00 41.12 40.45 3if5 n ASP 325 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3if5 s ARG 326 N -3.17 1.27 -0.10 0.11 1.70 -1.26 -0.36 118.95 117.13 3if5 s ARG 326 Ca 0.04 -1.26 -0.01 0.00 -0.47 0.00 0.00 55.73 54.03 3if5 s ARG 326 Cb 0.15 -1.65 -0.03 0.00 -0.57 0.00 0.00 34.95 32.85 3if5 s ARG 326 CO 0.80 0.39 -0.05 0.08 -1.08 0.00 0.00 175.30 175.45 3if5 s VAL 327 N -1.11 3.86 -0.23 4.99 1.01 -0.29 -2.03 120.40 126.60 3if5 s VAL 327 Ca 0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3if5 s VAL 327 Cb -0.10 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3if5 s VAL 327 CO 0.05 0.56 0.04 -0.36 0.00 0.00 0.00 175.10 175.39 3if5 s PHE 328 N -0.36 3.06 -0.27 5.22 0.40 0.13 -1.43 117.98 124.73 3if5 s PHE 328 Ca 0.06 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3if5 s PHE 328 Cb -0.12 -2.17 0.05 0.00 0.51 0.00 0.00 43.02 41.28 3if5 s PHE 328 CO 0.02 -0.33 -0.06 -1.17 0.70 0.00 0.00 175.22 174.39 3if5 s LEU 329 N 1.37 3.56 -0.19 -0.37 2.96 -0.34 -0.04 118.68 125.63 3if5 s LEU 329 Ca 0.05 -1.24 -0.08 0.00 -0.22 0.00 0.00 54.13 52.64 3if5 s LEU 329 Cb -0.15 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3if5 s LEU 329 CO 0.02 -0.20 0.08 -1.00 -1.32 0.00 0.00 176.35 173.93 3if5 s HIS 330 N 1.21 3.28 0.31 5.38 3.76 -0.87 -0.39 115.29 127.97 3if5 s HIS 330 Ca -0.06 0.11 0.08 0.00 -0.15 0.00 0.00 55.06 55.05 3if5 s HIS 330 Cb -0.19 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 3if5 s HIS 330 CO -0.03 0.15 0.16 -0.51 -0.85 0.00 0.00 174.74 173.66 3if5 s LEU 331 N 0.48 3.41 0.25 0.89 1.43 -0.47 0.15 118.68 124.82 3if5 s LEU 331 Ca 0.04 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 3if5 s LEU 331 Cb -0.12 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3if5 s LEU 331 CO 0.00 -0.22 0.72 0.00 0.23 0.00 0.00 176.35 177.08 3if5 s GLN 332 N -3.85 1.66 1.57 1.70 -2.07 -0.59 -3.41 119.66 114.67 3if5 s GLN 332 Ca 0.37 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 3if5 s GLN 332 Cb -0.05 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.46 3if5 s GLN 332 CO 0.23 -0.75 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 3if5 n GLY 333 N -0.44 -1.64 3.41 2.60 0.00 -1.16 -4.47 105.19 103.48 3if5 n GLY 333 Ca -0.06 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.19 3if5 n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3if5 s VAL 334 N 0.00 4.71 -0.39 1.61 1.01 -1.26 -1.69 120.40 124.40 3if5 s VAL 334 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 3if5 s VAL 334 Cb 0.00 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.89 3if5 s VAL 334 CO 0.00 -1.15 0.85 -0.63 0.00 0.00 0.00 175.10 174.18 3if5 s ILE 335 N 3.00 4.64 0.00 2.22 1.01 -0.87 -4.84 121.20 126.36 3if5 s ILE 335 Ca 0.15 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3if5 s ILE 335 Cb -0.22 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3if5 s ILE 335 CO 0.08 -0.55 0.00 0.54 0.00 0.00 0.00 174.94 175.01 3if5 n ARG 336 N 6.68 3.07 -0.09 2.79 1.74 -1.26 -2.66 116.66 126.93 3if5 n ARG 336 Ca 0.05 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 3if5 n ARG 336 Cb 0.48 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.90 3if5 n ARG 336 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3if5 h PHE 337 N 0.00 -0.87 -0.63 -1.55 3.57 -1.94 -0.34 116.94 115.18 3if5 h PHE 337 Ca 0.00 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.68 3if5 h PHE 337 Cb 0.00 0.43 -0.10 0.00 2.79 0.00 0.00 35.95 39.07 3if5 h PHE 337 CO 0.00 -0.38 0.06 0.78 -2.23 0.00 0.00 178.31 176.54 3if5 h GLY 338 N -0.28 0.74 0.66 2.40 0.00 -1.96 0.14 103.07 104.77 3if5 h GLY 338 Ca 0.15 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 3if5 h GLY 338 CO -0.49 -0.18 -0.37 -1.33 0.00 0.00 0.00 176.54 174.18 3if5 h GLY 339 N 0.17 0.35 0.44 4.60 0.00 -1.63 -3.10 103.07 103.90 3if5 h GLY 339 Ca 0.33 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 47.20 3if5 h GLY 339 CO -0.49 0.48 0.12 0.00 0.00 0.00 0.00 176.54 176.65 3if5 h ALA 340 N 0.37 0.55 -0.91 3.60 0.00 -0.66 0.16 119.26 122.37 3if5 h ALA 340 Ca -0.04 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3if5 h ALA 340 Cb 1.06 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3if5 h ALA 340 CO 0.07 -0.28 0.60 1.49 0.00 0.00 0.00 179.25 181.13 3if5 h GLU 341 N 0.27 1.04 -0.38 0.00 4.22 -0.82 0.13 114.58 119.03 3if5 h GLU 341 Ca 0.24 -0.06 -0.13 0.00 0.08 0.00 0.00 59.36 59.49 3if5 h GLU 341 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3if5 h GLU 341 CO -0.29 0.69 -0.27 0.00 -2.18 0.00 0.00 179.01 176.97 3if5 h ALA 342 N 1.49 0.80 -0.40 2.92 0.00 -0.88 -1.04 119.26 122.15 3if5 h ALA 342 Ca 0.38 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3if5 h ALA 342 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3if5 h ALA 342 CO -0.14 0.65 -0.18 0.28 0.00 0.00 0.00 179.25 179.87 3if5 h VAL 343 N 0.69 1.26 -0.46 0.00 2.07 0.39 -1.68 116.25 118.52 3if5 h VAL 343 Ca 0.08 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 3if5 h VAL 343 Cb 0.80 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3if5 h VAL 343 CO 0.07 0.42 0.00 -0.07 0.02 0.00 0.00 177.57 178.01 3if5 h LEU 344 N 0.68 0.72 -0.69 2.57 3.38 -0.47 -1.81 115.31 119.69 3if5 h LEU 344 Ca 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3if5 h LEU 344 Cb 0.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3if5 h LEU 344 CO 0.05 0.79 0.26 -0.78 0.09 0.00 0.00 178.44 178.84 3if5 h ASP 345 N 0.70 0.97 -0.36 -0.43 1.82 -0.62 -1.31 116.42 117.20 3if5 h ASP 345 Ca 0.14 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 3if5 h ASP 345 Cb 0.43 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 3if5 h ASP 345 CO 0.02 0.90 0.20 0.00 -1.61 0.00 0.00 179.24 178.74 3if5 h ALA 346 N 1.12 0.46 -0.27 -0.78 0.00 -0.86 0.83 119.26 119.75 3if5 h ALA 346 Ca 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3if5 h ALA 346 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3if5 h ALA 346 CO -0.02 -0.03 0.15 -0.07 0.00 0.00 0.00 179.25 179.29 3if5 h LEU 347 N 0.45 0.33 -1.41 0.00 3.38 -1.09 -2.38 115.31 114.59 3if5 h LEU 347 Ca 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3if5 h LEU 347 Cb 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3if5 h LEU 347 CO -0.02 0.31 0.11 0.74 0.09 0.00 0.00 178.44 179.66 3if5 h THR 348 N 0.33 1.15 0.00 0.22 2.02 -1.03 -1.80 112.91 113.80 3if5 h THR 348 Ca 0.10 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3if5 h THR 348 Cb 0.04 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3if5 h THR 348 CO -0.02 0.19 0.00 0.47 0.37 0.00 0.00 175.52 176.53 3if5 n ASP 349 N -4.37 0.00 -4.76 4.18 10.43 0.27 -4.59 116.55 117.70 3if5 n ASP 349 Ca 0.02 -0.66 -0.35 0.00 2.57 0.00 0.00 54.79 56.37 3if5 n ASP 349 Cb 0.16 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.04 3if5 n ASP 349 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3if5 s LEU 350 N -1.46 3.89 -0.72 0.64 1.43 -0.68 -5.04 118.68 116.73 3if5 s LEU 350 Ca 0.09 0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 53.19 3if5 s LEU 350 Cb 0.04 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.34 3if5 s LEU 350 CO 0.07 0.37 1.16 -0.13 0.23 0.00 0.00 176.35 178.05 3if5 s ARG 351 N -1.08 3.18 -0.23 1.70 1.81 -1.26 -4.75 118.95 118.32 3if5 s ARG 351 Ca 0.16 -0.54 0.17 0.00 -1.72 0.00 0.00 55.73 53.79 3if5 s ARG 351 Cb -0.12 -4.26 0.48 0.00 -0.45 0.00 0.00 34.95 30.60 3if5 s ARG 351 CO 0.05 -2.01 1.15 0.25 -0.68 0.00 0.00 175.30 174.06 3if5 n THR 352 N 6.20 1.62 -1.67 0.02 -2.24 -1.26 -4.76 114.28 112.20 3if5 n THR 352 Ca 0.02 -3.16 -0.03 0.00 -2.27 0.00 0.00 64.05 58.62 3if5 n THR 352 Cb 0.48 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3if5 n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if5 n GLY 353 N -0.55 0.01 1.19 3.38 0.00 -1.26 -4.74 105.19 103.23 3if5 n GLY 353 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3if5 n GLY 353 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3if5 n ILE 404 N 0.00 -6.72 0.02 -0.61 5.41 -1.26 -5.22 119.36 110.99 3if5 n ILE 404 Ca -0.10 1.63 0.00 0.00 1.00 0.00 0.00 62.75 65.28 3if5 n ILE 404 Cb 0.41 -3.39 -0.00 0.00 -0.71 0.00 0.00 39.64 35.94 3if5 n ILE 404 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3if5 n ARG 405 N 0.72 5.58 -3.68 0.38 1.85 0.51 -4.94 116.66 117.06 3if5 n ARG 405 Ca 0.00 -0.09 -0.12 0.00 -1.00 0.00 0.00 57.85 56.65 3if5 n ARG 405 Cb 0.00 -0.60 -0.09 0.00 -1.05 0.00 0.00 32.46 30.72 3if5 n ARG 405 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3if5 s THR 406 N -0.89 -0.01 -0.06 8.89 2.01 -1.23 -2.16 115.64 122.19 3if5 s THR 406 Ca 0.00 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.08 3if5 s THR 406 Cb 0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 3if5 s THR 406 CO 0.02 0.01 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.03 3if5 s VAL 407 N 0.78 2.12 -0.21 3.82 1.01 0.25 -1.14 120.40 127.03 3if5 s VAL 407 Ca -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3if5 s VAL 407 Cb -0.05 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3if5 s VAL 407 CO -0.06 0.57 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 3if5 s VAL 408 N -0.14 2.44 -0.38 2.92 1.01 -0.51 -1.08 120.40 124.66 3if5 s VAL 408 Ca -0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3if5 s VAL 408 Cb -0.14 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3if5 s VAL 408 CO 0.04 0.37 0.62 -0.76 0.00 0.00 0.00 175.10 175.37 3if5 s LEU 409 N 1.30 4.34 -0.38 3.92 1.43 -0.47 -1.20 118.68 127.62 3if5 s LEU 409 Ca 0.02 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 3if5 s LEU 409 Cb -0.15 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3if5 s LEU 409 CO -0.09 -0.63 0.31 0.21 0.23 0.00 0.00 176.35 176.39 3if5 s ASN 410 N 1.85 6.12 -0.12 2.29 3.84 0.48 -0.47 114.94 128.93 3if5 s ASN 410 Ca 0.23 -0.62 0.16 0.00 0.21 0.00 0.00 52.86 52.84 3if5 s ASN 410 Cb -0.15 -2.17 0.58 0.00 -0.55 0.00 0.00 41.25 38.97 3if5 s ASN 410 CO 0.16 -0.39 1.49 0.18 -2.79 0.00 0.00 177.10 175.75 3if5 n LEU 411 N 5.25 4.17 -0.33 3.21 4.77 -1.02 -1.37 117.00 131.68 3if5 n LEU 411 Ca -0.11 -2.55 -0.04 0.00 -0.03 0.00 0.00 56.01 53.28 3if5 n LEU 411 Cb 0.48 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3if5 n LEU 411 CO 0.40 0.74 1.15 0.00 -1.33 0.00 0.00 177.39 178.36 3if5 h ALA 412 N 2.95 1.14 -0.00 -1.18 0.00 -1.83 -2.64 119.26 117.70 3if5 h ALA 412 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3if5 h ALA 412 Cb 1.33 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3if5 h ALA 412 CO 0.20 0.67 -0.05 0.54 0.00 0.00 0.00 179.25 180.61 3if5 n ARG 413 N -4.32 0.57 -2.75 0.00 5.12 -1.24 -4.84 116.66 109.20 3if5 n ARG 413 Ca 0.09 -0.10 -0.41 0.00 -1.93 0.00 0.00 57.85 55.50 3if5 n ARG 413 Cb 0.11 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 3if5 n ARG 413 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3if5 s VAL 414 N -2.49 4.65 0.04 1.55 1.01 -1.00 -2.99 120.40 121.17 3if5 s VAL 414 Ca 0.30 2.02 0.04 0.00 0.00 0.00 0.00 61.98 64.34 3if5 s VAL 414 Cb 0.20 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 3if5 s VAL 414 CO 0.46 0.27 0.97 0.44 0.00 0.00 0.00 175.10 177.24 3if5 h ASP 415 N 6.02 0.16 -5.96 3.32 3.32 -1.64 -3.46 116.42 118.17 3if5 h ASP 415 Ca -0.42 -0.21 0.39 0.00 0.02 0.00 0.00 57.03 56.81 3if5 h ASP 415 Cb 1.21 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 3if5 h ASP 415 CO 0.73 1.18 0.99 0.00 -1.72 0.00 0.00 179.24 180.41 3if5 s ARG 416 N -2.65 0.08 -0.23 3.56 1.70 -1.24 -5.02 118.95 115.15 3if5 s ARG 416 Ca -0.04 -0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 55.00 3if5 s ARG 416 Cb 0.08 0.02 0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3if5 s ARG 416 CO 0.84 -0.04 0.60 -1.50 -1.08 0.00 0.00 175.30 174.12 3if5 s ILE 417 N -2.04 -0.00 0.69 4.99 2.07 -1.26 -2.04 121.20 123.60 3if5 s ILE 417 Ca 0.23 0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 3if5 s ILE 417 Cb 0.04 -0.85 0.07 0.00 0.13 0.00 0.00 42.46 41.85 3if5 s ILE 417 CO -0.05 0.01 0.98 1.51 -1.91 0.00 0.00 174.94 175.48 3if5 s ASP 418 N 0.90 4.77 0.37 4.50 -4.77 -1.09 -4.81 116.67 116.54 3if5 s ASP 418 Ca -0.05 0.24 0.13 0.00 -3.30 0.00 0.00 52.55 49.58 3if5 s ASP 418 Cb -0.05 -0.88 0.95 0.00 -1.09 0.00 0.00 42.92 41.85 3if5 s ASP 418 CO -0.08 -1.59 1.81 0.44 0.70 0.00 0.00 175.17 176.46 3if5 h ASP 419 N -0.50 0.56 -0.66 2.11 3.32 -1.99 0.31 116.42 119.56 3if5 h ASP 419 Ca -0.43 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 3if5 h ASP 419 Cb 1.30 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3if5 h ASP 419 CO 0.55 0.20 0.18 0.58 -1.72 0.00 0.00 179.24 179.03 3if5 h VAL 420 N 0.55 1.26 -0.27 -1.35 2.07 -1.94 -1.57 116.25 115.00 3if5 h VAL 420 Ca 0.53 -0.91 -0.19 0.00 0.82 0.00 0.00 66.70 66.95 3if5 h VAL 420 Cb 1.12 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3if5 h VAL 420 CO -0.27 0.35 -0.57 1.23 0.02 0.00 0.00 177.57 178.33 3if5 h GLY 421 N 0.98 0.94 0.86 2.17 0.00 -1.23 -2.04 103.07 104.75 3if5 h GLY 421 Ca 0.21 -1.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 3if5 h GLY 421 CO -0.00 1.01 -0.10 3.21 0.00 0.00 0.00 176.54 180.67 3if5 h ARG 422 N 0.64 -0.26 -0.58 4.80 3.08 -1.09 -0.06 114.38 120.91 3if5 h ARG 422 Ca 0.01 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3if5 h ARG 422 Cb 1.18 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 3if5 h ARG 422 CO 0.13 -0.06 0.34 0.00 -1.07 0.00 0.00 179.97 179.30 3if5 h ARG 423 N -0.41 0.63 -0.23 0.04 3.08 -1.34 0.48 114.38 116.63 3if5 h ARG 423 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3if5 h ARG 423 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3if5 h ARG 423 CO 0.04 0.42 0.04 -0.07 -1.07 0.00 0.00 179.97 179.34 3if5 h LEU 424 N 0.65 0.36 -0.50 3.04 3.38 -1.27 -1.27 115.31 119.71 3if5 h LEU 424 Ca 0.24 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3if5 h LEU 424 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3if5 h LEU 424 CO -0.13 0.52 -0.17 0.40 0.09 0.00 0.00 178.44 179.15 3if5 h ILE 425 N 0.18 1.27 -0.58 1.22 2.04 -0.77 -1.93 117.51 118.94 3if5 h ILE 425 Ca 0.07 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.62 3if5 h ILE 425 Cb 0.31 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3if5 h ILE 425 CO 0.00 0.46 0.39 0.00 0.00 0.00 0.00 178.15 179.00 3if5 h ALA 426 N 0.88 1.66 -0.25 1.87 0.00 0.06 -1.22 119.26 122.26 3if5 h ALA 426 Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3if5 h ALA 426 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3if5 h ALA 426 CO 0.06 0.29 -0.50 1.49 0.00 0.00 0.00 179.25 180.58 3if5 h GLU 427 N 0.72 0.69 0.00 0.00 4.57 -0.88 -2.39 114.58 117.29 3if5 h GLU 427 Ca 0.23 -0.41 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 3if5 h GLU 427 Cb 0.03 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3if5 h GLU 427 CO -0.06 1.03 -0.22 0.78 -1.18 0.00 0.00 179.01 179.36 3if5 h GLY 428 N 0.93 0.00 0.72 1.92 0.00 -0.47 -1.76 103.07 104.42 3if5 h GLY 428 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3if5 h GLY 428 CO 0.10 0.00 -0.54 -2.08 0.00 0.00 0.00 176.54 174.03 3if5 h VAL 429 N 0.00 1.45 -0.36 4.60 2.07 -1.08 -2.13 116.25 120.80 3if5 h VAL 429 Ca -0.00 -2.06 0.05 0.00 0.82 0.00 0.00 66.70 65.52 3if5 h VAL 429 Cb 0.49 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 3if5 h VAL 429 CO 0.03 0.59 0.08 -0.09 0.02 0.00 0.00 177.57 178.20 3if5 h ARG 430 N -0.17 0.19 -0.67 1.57 2.43 -1.15 -1.24 114.38 115.34 3if5 h ARG 430 Ca -0.07 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3if5 h ARG 430 Cb 1.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 3if5 h ARG 430 CO 0.11 0.13 0.16 0.00 -1.51 0.00 0.00 179.97 178.85 3if5 h ARG 431 N 0.20 1.06 -0.23 0.20 3.08 -1.37 -1.50 114.38 115.82 3if5 h ARG 431 Ca 0.17 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3if5 h ARG 431 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3if5 h ARG 431 CO -0.22 0.94 0.11 -0.07 -1.07 0.00 0.00 179.97 179.66 3if5 h LEU 432 N 1.01 0.29 -1.07 3.04 3.38 -0.86 -2.65 115.31 118.46 3if5 h LEU 432 Ca 0.21 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3if5 h LEU 432 Cb 0.36 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3if5 h LEU 432 CO 0.00 0.32 0.63 1.56 0.09 0.00 0.00 178.44 181.04 3if5 h GLN 433 N 0.24 1.24 0.00 1.13 4.20 -1.05 -0.86 115.11 120.01 3if5 h GLN 433 Ca 0.08 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3if5 h GLN 433 Cb 0.10 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3if5 h GLN 433 CO -0.01 0.82 -0.01 0.00 -0.67 0.00 0.00 178.83 178.96 3if5 h ALA 434 N 1.41 1.06 -0.21 3.87 0.00 -0.94 0.12 119.26 124.57 3if5 h ALA 434 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3if5 h ALA 434 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3if5 h ALA 434 CO -0.08 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.93 3if5 n ASP 435 N -3.18 1.84 -0.71 0.00 8.00 -0.35 -4.83 116.55 117.33 3if5 n ASP 435 Ca -0.02 -2.14 -0.08 0.00 0.71 0.00 0.00 54.79 53.26 3if5 n ASP 435 Cb 0.14 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3if5 n ASP 435 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3if5 n GLY 436 N 0.55 0.67 3.76 0.44 0.00 0.41 -4.89 105.19 106.13 3if5 n GLY 436 Ca 0.08 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 3if5 n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3if5 s VAL 437 N -2.33 4.85 -0.10 1.61 1.01 -1.09 -4.99 120.40 119.36 3if5 s VAL 437 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3if5 s VAL 437 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3if5 s VAL 437 CO 0.00 0.60 0.88 -0.60 0.00 0.00 0.00 175.10 175.98 3if5 s ARG 438 N -0.86 4.41 -0.18 2.72 3.52 -0.92 -3.71 118.95 123.93 3if5 s ARG 438 Ca 0.13 1.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.91 3if5 s ARG 438 Cb -0.12 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 3if5 s ARG 438 CO 0.03 -0.19 -0.14 0.08 -0.81 0.00 0.00 175.30 174.26 3if5 s VAL 439 N 1.63 1.78 -0.22 7.11 1.01 -1.26 0.86 120.40 131.32 3if5 s VAL 439 Ca 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3if5 s VAL 439 Cb -0.18 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3if5 s VAL 439 CO 0.18 0.36 -0.13 -1.83 0.00 0.00 0.00 175.10 173.68 3if5 s GLU 440 N 1.37 2.87 -0.55 2.72 -1.05 -0.24 -4.99 118.70 118.83 3if5 s GLU 440 Ca 0.02 -0.93 -0.21 0.00 -0.15 0.00 0.00 54.97 53.70 3if5 s GLU 440 Cb -0.14 -2.78 0.06 0.00 -0.44 0.00 0.00 34.13 30.82 3if5 s GLU 440 CO -0.10 -0.32 0.78 0.08 0.95 0.00 0.00 175.26 176.65 3if5 s VAL 441 N 1.29 4.65 -0.83 1.83 1.01 -1.26 -1.37 120.40 125.71 3if5 s VAL 441 Ca 0.02 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 3if5 s VAL 441 Cb -0.15 -4.45 0.08 0.00 0.00 0.00 0.00 36.38 31.87 3if5 s VAL 441 CO -0.08 -1.02 1.14 -1.61 0.00 0.00 0.00 175.10 173.53 3if5 s GLU 442 N 3.23 3.38 -0.39 2.72 2.02 0.38 -4.94 118.70 125.10 3if5 s GLU 442 Ca 0.20 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 54.07 3if5 s GLU 442 Cb -0.17 -4.68 0.11 0.00 0.10 0.00 0.00 34.13 29.49 3if5 s GLU 442 CO 0.13 -1.91 0.12 0.34 0.02 0.00 0.00 175.26 173.96 3if5 s ASP 443 N 3.91 4.50 0.00 -0.19 -1.08 -1.26 -2.43 116.67 120.12 3if5 s ASP 443 Ca 0.32 -2.35 0.00 0.00 -0.52 0.00 0.00 52.55 50.00 3if5 s ASP 443 Cb -0.09 -1.50 0.00 0.00 -1.46 0.00 0.00 42.92 39.87 3if5 s ASP 443 CO -0.00 -0.34 0.74 -0.81 0.52 0.00 0.00 175.17 175.28 3if5 n PRO 444 N 3.98 0.00 -2.61 4.34 -0.04 -1.26 -3.72 135.00 135.69 3if5 n PRO 444 Ca 0.04 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.47 3if5 n PRO 444 Cb 0.39 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 3if5 n PRO 444 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3if5 s GLU 445 N -1.96 3.88 -0.04 0.54 2.02 -1.26 -4.88 118.70 117.01 3if5 s GLU 445 Ca 0.00 -1.81 -0.01 0.00 0.02 0.00 0.00 54.97 53.18 3if5 s GLU 445 Cb 0.00 -5.45 -0.01 0.00 0.10 0.00 0.00 34.13 28.77 3if5 s GLU 445 CO 0.00 -2.20 0.09 0.54 0.02 0.00 0.00 175.26 173.71 3if5 n ARG 446 N 8.29 0.00 -0.05 1.61 1.74 -1.24 -4.73 116.66 122.28 3if5 n ARG 446 Ca 0.43 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.46 3if5 n ARG 446 Cb 0.47 -0.04 -0.07 0.00 -1.02 0.00 0.00 32.46 31.79 3if5 n ARG 446 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3if5 n ILE 447 N 0.24 0.67 0.00 0.55 5.41 -1.26 -5.20 119.36 119.76 3if5 n ILE 447 Ca 0.03 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3if5 n ILE 447 Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 3if5 n ILE 447 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44