#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4h s HIS 4 N 0.00 3.59 0.17 4.41 0.09 -1.26 -4.59 115.29 117.70 3i4h s HIS 4 Ca 0.00 0.70 -0.23 0.00 -0.00 0.00 0.00 55.06 55.53 3i4h s HIS 4 Cb 0.00 -2.09 0.06 0.00 -0.00 0.00 0.00 32.58 30.56 3i4h s HIS 4 CO 0.00 0.58 0.66 -3.38 -0.00 0.00 0.00 174.74 172.60 3i4h s HIS 5 N -1.31 -0.44 0.10 1.40 0.00 -1.05 -5.06 115.29 108.92 3i4h s HIS 5 Ca 0.29 0.18 -0.22 0.00 -3.00 0.00 0.00 55.06 52.31 3i4h s HIS 5 Cb -0.14 0.59 -0.07 0.00 -4.00 0.00 0.00 32.58 28.96 3i4h s HIS 5 CO 0.16 -0.90 0.66 0.20 -1.00 0.00 0.00 174.74 173.86 3i4h s GLY 6 N -2.76 2.77 -0.04 -1.38 0.00 -1.26 -4.28 107.32 100.36 3i4h s GLY 6 Ca 0.04 0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.96 3i4h s GLY 6 CO -0.08 0.66 -0.16 -0.56 0.00 0.00 0.00 173.10 172.96 3i4h s SER 7 N -1.01 1.99 -0.01 1.64 0.01 -0.60 -4.99 113.70 110.73 3i4h s SER 7 Ca 0.32 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.25 3i4h s SER 7 Cb -0.21 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.53 3i4h s SER 7 CO 0.22 0.15 0.03 -0.60 0.41 0.00 0.00 173.24 173.44 3i4h s ARG 8 N 0.00 0.01 0.04 12.44 3.52 -1.26 -2.10 118.95 131.60 3i4h s ARG 8 Ca -0.02 0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 3i4h s ARG 8 Cb -0.10 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 3i4h s ARG 8 CO 0.02 -0.06 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.28 3i4h s PHE 9 N 0.41 0.90 -0.12 5.12 0.40 -0.62 -1.76 117.98 122.31 3i4h s PHE 9 Ca -0.03 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.91 3i4h s PHE 9 Cb -0.05 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.92 3i4h s PHE 9 CO -0.01 -0.01 -0.02 -1.17 0.70 0.00 0.00 175.22 174.70 3i4h s LEU 10 N -1.16 3.40 -0.22 -0.37 2.96 0.34 -1.92 118.68 121.70 3i4h s LEU 10 Ca -0.03 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3i4h s LEU 10 Cb -0.08 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.86 3i4h s LEU 10 CO 0.01 0.28 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.55 3i4h s ILE 11 N -0.30 2.00 -0.11 6.68 1.01 0.26 0.03 121.20 130.78 3i4h s ILE 11 Ca 0.06 -1.28 -0.06 0.00 0.00 0.00 0.00 60.65 59.37 3i4h s ILE 11 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3i4h s ILE 11 CO 0.02 0.18 0.10 -0.13 0.00 0.00 0.00 174.94 175.12 3i4h s ARG 12 N 1.23 3.31 -0.02 2.79 0.52 -0.27 -2.06 118.95 124.45 3i4h s ARG 12 Ca -0.03 -0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3i4h s ARG 12 Cb -0.17 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 3i4h s ARG 12 CO -0.08 0.76 -0.22 -0.51 0.02 0.00 0.00 175.30 175.27 3i4h s LEU 13 N -0.99 2.04 0.03 2.53 1.02 0.95 -1.49 118.68 122.77 3i4h s LEU 13 Ca 0.15 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.92 3i4h s LEU 13 Cb -0.12 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.91 3i4h s LEU 13 CO 0.04 0.27 -0.01 0.54 0.02 0.00 0.00 176.35 177.21 3i4h s VAL 14 N -0.49 4.04 0.73 -1.59 0.11 0.16 -0.77 120.40 122.60 3i4h s VAL 14 Ca 0.08 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 3i4h s VAL 14 Cb -0.09 -2.84 0.03 0.00 -1.53 0.00 0.00 36.38 31.95 3i4h s VAL 14 CO -0.01 0.28 1.08 -2.16 -3.33 0.00 0.00 175.10 170.96 3i4h s PRO 15 N -1.83 2.57 0.21 1.54 0.04 -1.26 0.40 135.00 136.68 3i4h s PRO 15 Ca 0.22 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 3i4h s PRO 15 Cb -0.12 -1.94 0.23 0.00 0.04 0.00 0.00 34.50 32.72 3i4h s PRO 15 CO 0.13 -1.39 1.62 1.49 0.04 0.00 0.00 177.00 178.88 3i4h h GLU 16 N -0.88 -0.02 -5.08 4.56 4.57 -1.49 -3.31 114.58 112.93 3i4h h GLU 16 Ca -0.44 0.00 -0.63 0.00 -1.18 0.00 0.00 59.36 57.11 3i4h h GLU 16 Cb 1.22 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.67 3i4h h GLU 16 CO 0.54 -0.01 -0.35 0.16 -1.18 0.00 0.00 179.01 178.16 3i4h s ASP 17 N -5.22 6.17 0.60 1.04 3.84 -1.26 -4.99 116.67 116.85 3i4h s ASP 17 Ca -0.14 0.19 0.29 0.00 -0.00 0.00 0.00 52.55 52.88 3i4h s ASP 17 Cb 0.19 -2.17 1.33 0.00 -1.38 0.00 0.00 42.92 40.90 3i4h s ASP 17 CO 0.73 -0.11 1.73 0.11 -0.00 0.00 0.00 175.17 177.64 3i4h h LYS 18 N 8.12 0.00 -4.98 2.11 1.57 -1.96 -3.36 116.57 118.06 3i4h h LYS 18 Ca -0.34 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.77 3i4h h LYS 18 Cb 1.17 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.15 3i4h h LYS 18 CO 0.62 0.00 -0.80 -0.51 -0.57 0.00 0.00 179.45 178.19 3i4h s ASP 19 N -4.68 3.80 0.00 0.86 1.01 -1.26 -4.46 116.67 111.94 3i4h s ASP 19 Ca -0.04 -0.76 0.00 0.00 0.71 0.00 0.00 52.55 52.46 3i4h s ASP 19 Cb 0.15 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.50 3i4h s ASP 19 CO 0.52 -0.06 0.00 -1.14 0.21 0.00 0.00 175.17 174.70 3i4h n ARG 20 N 4.64 -0.46 -4.31 8.23 0.63 -1.26 -5.11 116.66 119.01 3i4h n ARG 20 Ca -0.18 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.41 3i4h n ARG 20 Cb 0.48 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.26 3i4h n ARG 20 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i4h s ALA 21 N -2.00 2.78 -0.11 5.13 0.00 -1.26 -4.58 121.76 121.71 3i4h s ALA 21 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3i4h s ALA 21 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 3i4h s ALA 21 CO 0.00 -0.06 0.24 -0.59 0.00 0.00 0.00 175.76 175.35 3i4h s PHE 22 N 0.86 3.57 0.48 0.00 -0.12 -0.70 -4.91 117.98 117.16 3i4h s PHE 22 Ca -0.02 0.64 -0.23 0.00 -0.05 0.00 0.00 56.93 57.27 3i4h s PHE 22 Cb -0.15 -2.16 -0.07 0.00 -0.63 0.00 0.00 43.02 40.02 3i4h s PHE 22 CO 0.01 0.53 1.20 0.15 -0.05 0.00 0.00 175.22 177.06 3i4h s LYS 23 N -0.48 3.63 -0.20 1.99 1.02 -1.26 -0.53 119.74 123.92 3i4h s LYS 23 Ca 0.17 1.85 -0.00 0.00 0.02 0.00 0.00 55.97 58.00 3i4h s LYS 23 Cb -0.13 -2.36 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 3i4h s LYS 23 CO 0.05 -0.68 -0.03 0.08 -0.92 0.00 0.00 175.35 173.85 3i4h s VAL 24 N -1.51 1.16 0.55 3.17 1.01 -0.50 -4.88 120.40 119.39 3i4h s VAL 24 Ca 0.65 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 3i4h s VAL 24 Cb -0.30 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 3i4h s VAL 24 CO 0.37 -0.04 1.06 -2.65 0.00 0.00 0.00 175.10 173.84 3i4h n PRO 25 N 4.83 1.19 0.13 2.72 -0.02 -1.26 -0.67 135.00 141.91 3i4h n PRO 25 Ca -0.11 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 3i4h n PRO 25 Cb 0.46 -2.23 0.17 0.00 -0.02 0.00 0.00 33.50 31.88 3i4h n PRO 25 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3i4h h TYR 26 N 0.96 0.06 -3.59 6.00 0.05 -1.10 -3.33 116.97 116.01 3i4h h TYR 26 Ca -0.48 -0.02 -0.74 0.00 0.05 0.00 0.00 58.73 57.53 3i4h h TYR 26 Cb 1.34 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 38.77 3i4h h TYR 26 CO 0.40 0.64 -0.17 1.21 -1.05 0.00 0.00 178.16 179.19 3i4h s ASN 27 N -6.86 5.99 -0.06 3.88 3.04 -1.26 -4.85 114.94 114.82 3i4h s ASN 27 Ca -0.02 -2.57 0.09 0.00 0.04 0.00 0.00 52.86 50.39 3i4h s ASN 27 Cb 0.13 -2.04 0.13 0.00 -1.54 0.00 0.00 41.25 37.92 3i4h s ASN 27 CO 0.77 -0.53 1.02 0.00 -3.04 0.00 0.00 177.10 175.31 3i4h n HIS 28 N 4.02 0.00 -0.15 0.43 1.44 -1.25 -4.76 115.22 114.94 3i4h n HIS 28 Ca 0.06 -0.55 -0.04 0.00 -2.01 0.00 0.00 57.72 55.18 3i4h n HIS 28 Cb 0.42 -0.09 0.05 0.00 0.12 0.00 0.00 29.99 30.49 3i4h n HIS 28 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 3i4h h GLN 29 N 0.00 0.40 -0.11 -1.40 1.08 -1.91 -2.09 115.11 111.09 3i4h h GLN 29 Ca 0.00 -0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.00 3i4h h GLN 29 Cb 1.01 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 3i4h h GLN 29 CO 0.00 0.27 -0.67 -0.92 -0.95 0.00 0.00 178.83 176.56 3i4h h TYR 30 N 0.42 0.57 0.04 2.96 3.20 -1.89 -0.12 116.97 122.14 3i4h h TYR 30 Ca 0.21 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3i4h h TYR 30 Cb 0.16 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3i4h h TYR 30 CO -0.12 0.97 -0.02 1.88 -1.64 0.00 0.00 178.16 179.23 3i4h h TYR 31 N 0.31 -0.05 -0.70 -3.82 0.05 -1.84 -1.95 116.97 108.97 3i4h h TYR 31 Ca -0.02 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.83 3i4h h TYR 31 Cb 1.23 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.92 3i4h h TYR 31 CO 0.04 0.19 0.38 1.25 -1.05 0.00 0.00 178.16 178.97 3i4h h LEU 32 N -0.28 0.55 -1.21 3.88 5.85 -1.37 -2.06 115.31 120.68 3i4h h LEU 32 Ca -0.01 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3i4h h LEU 32 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3i4h h LEU 32 CO 0.01 0.35 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.69 3i4h h GLN 33 N 0.69 0.36 -0.39 1.25 4.15 -0.93 -2.01 115.11 118.23 3i4h h GLN 33 Ca 0.32 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 3i4h h GLN 33 Cb 0.24 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3i4h h GLN 33 CO -0.21 0.52 0.07 0.78 -1.93 0.00 0.00 178.83 178.06 3i4h h GLY 34 N 0.88 0.68 0.30 2.39 0.00 -0.73 -1.11 103.07 105.49 3i4h h GLY 34 Ca 0.06 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.00 3i4h h GLY 34 CO 0.03 0.42 -0.17 -2.00 0.00 0.00 0.00 176.54 174.82 3i4h h LEU 35 N 0.49 -0.55 0.16 3.11 6.46 -1.03 0.54 115.31 124.49 3i4h h LEU 35 Ca 0.12 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 3i4h h LEU 35 Cb 0.35 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3i4h h LEU 35 CO 0.01 -0.21 -0.08 0.40 -0.62 0.00 0.00 178.44 177.94 3i4h h ILE 36 N -0.17 0.96 -0.99 4.05 1.08 -1.26 -0.37 117.51 120.82 3i4h h ILE 36 Ca 0.13 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.71 3i4h h ILE 36 Cb 0.36 1.48 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 3i4h h ILE 36 CO -0.33 0.20 0.65 1.88 -0.69 0.00 0.00 178.15 179.86 3i4h h TYR 37 N -0.68 1.24 -0.50 1.37 -1.99 -1.16 -2.30 116.97 112.94 3i4h h TYR 37 Ca -0.02 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 3i4h h TYR 37 Cb 0.49 -0.42 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3i4h h TYR 37 CO 0.06 0.78 0.02 -0.91 -0.00 0.00 0.00 178.16 178.11 3i4h h ASN 38 N 1.33 0.78 -0.60 3.88 2.35 0.21 -1.73 115.58 121.81 3i4h h ASN 38 Ca 0.36 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3i4h h ASN 38 Cb -0.15 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 37.98 3i4h h ASN 38 CO -0.08 0.84 0.40 0.00 -1.65 0.00 0.00 177.43 176.93 3i4h h ALA 39 N 1.25 0.76 -0.15 -0.83 0.00 -0.80 -1.52 119.26 117.98 3i4h h ALA 39 Ca 0.15 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3i4h h ALA 39 Cb 0.43 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i4h h ALA 39 CO 0.02 0.19 -0.69 0.82 0.00 0.00 0.00 179.25 179.59 3i4h h ILE 40 N 0.81 1.30 -0.72 0.00 2.04 -1.08 -2.33 117.51 117.53 3i4h h ILE 40 Ca 0.22 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 64.20 3i4h h ILE 40 Cb -0.09 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3i4h h ILE 40 CO -0.05 0.60 0.47 0.50 0.00 0.00 0.00 178.15 179.68 3i4h h LYS 41 N 0.44 0.85 0.09 2.37 1.63 -1.36 0.49 116.57 121.07 3i4h h LYS 41 Ca -0.04 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3i4h h LYS 41 Cb 1.32 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3i4h h LYS 41 CO 0.14 0.56 -0.04 1.03 -3.45 0.00 0.00 179.45 177.69 3i4h h SER 42 N 0.87 -0.10 1.16 4.20 0.87 -1.09 -3.23 113.55 116.24 3i4h h SER 42 Ca 0.29 -0.39 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 3i4h h SER 42 Cb 0.06 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3i4h h SER 42 CO -0.08 0.36 -0.70 0.77 -0.53 0.00 0.00 176.83 176.66 3i4h h SER 43 N -0.59 0.00 -1.59 6.23 4.64 -1.37 -3.41 113.55 117.45 3i4h h SER 43 Ca -0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.00 3i4h h SER 43 Cb 0.49 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.32 3i4h h SER 43 CO 0.02 0.70 -0.66 0.21 -0.87 0.00 0.00 176.83 176.23 3i4h s ASN 44 N -6.58 -0.03 0.38 4.97 3.84 0.17 -5.01 114.94 112.68 3i4h s ASN 44 Ca 0.02 -1.87 0.07 0.00 0.21 0.00 0.00 52.86 51.29 3i4h s ASN 44 Cb 0.09 0.98 0.77 0.00 -0.55 0.00 0.00 41.25 42.54 3i4h s ASN 44 CO 0.77 -0.16 1.96 -0.65 -2.79 0.00 0.00 177.10 176.24 3i4h h PRO 45 N 6.03 0.43 -0.19 0.43 0.11 -1.69 -1.34 132.00 135.79 3i4h h PRO 45 Ca 0.11 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3i4h h PRO 45 Cb 1.06 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3i4h h PRO 45 CO 0.16 0.41 0.12 -0.22 -0.21 0.00 0.00 178.00 178.26 3i4h h LYS 46 N 0.43 0.25 -0.08 1.05 3.64 -1.92 -1.66 116.57 118.29 3i4h h LYS 46 Ca 0.10 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3i4h h LYS 46 Cb 0.18 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i4h h LYS 46 CO -0.00 0.18 0.05 1.25 -2.27 0.00 0.00 179.45 178.66 3i4h h LEU 47 N 0.24 0.09 -2.37 5.20 5.85 -1.75 -1.08 115.31 121.49 3i4h h LEU 47 Ca 0.07 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3i4h h LEU 47 Cb -0.01 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3i4h h LEU 47 CO -0.01 0.10 0.04 0.00 -0.34 0.00 0.00 178.44 178.22 3i4h h ALA 48 N 1.00 1.64 0.18 1.25 0.00 -1.15 0.21 119.26 122.38 3i4h h ALA 48 Ca 0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 3i4h h ALA 48 Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i4h h ALA 48 CO -0.01 -0.05 -1.35 1.15 0.00 0.00 0.00 179.25 179.00 3i4h h THR 49 N 0.00 1.39 -0.64 0.00 2.02 -0.92 -1.59 112.91 113.16 3i4h h THR 49 Ca 0.02 -2.85 0.03 0.00 0.77 0.00 0.00 66.41 64.38 3i4h h THR 49 Cb 0.09 2.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.42 3i4h h THR 49 CO -0.00 0.84 0.39 0.22 0.37 0.00 0.00 175.52 177.34 3i4h h TYR 50 N 0.12 0.73 -0.07 3.16 3.20 -0.29 -2.94 116.97 120.88 3i4h h TYR 50 Ca -0.19 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 3i4h h TYR 50 Cb 2.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 40.07 3i4h h TYR 50 CO 0.10 0.41 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.51 3i4h h LEU 51 N 0.76 0.16 -1.17 2.82 3.38 -0.91 -1.40 115.31 118.95 3i4h h LEU 51 Ca 0.26 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3i4h h LEU 51 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i4h h LEU 51 CO -0.12 0.59 -0.33 -0.74 0.09 0.00 0.00 178.44 177.94 3i4h h HIS 52 N 0.13 0.00 0.00 1.13 2.76 -1.16 -3.29 115.15 114.72 3i4h h HIS 52 Ca 0.01 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.00 3i4h h HIS 52 Cb 0.84 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 3i4h h HIS 52 CO 0.01 0.33 -1.07 0.93 -1.30 0.00 0.00 177.93 176.82 3i4h h GLU 53 N 0.00 0.00 -6.11 5.26 4.39 -1.34 -3.49 114.58 113.30 3i4h h GLU 53 Ca -0.00 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 58.96 3i4h h GLU 53 Cb 0.75 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.46 3i4h h GLU 53 CO 0.04 0.83 0.12 1.55 -1.16 0.00 0.00 179.01 180.39 3i4h n VAL 54 N -4.47 0.31 -3.90 3.13 3.14 -0.55 -4.95 118.33 111.04 3i4h n VAL 54 Ca -0.27 -0.08 -0.35 0.00 -2.96 0.00 0.00 64.34 60.69 3i4h n VAL 54 Cb 0.60 -0.30 -0.09 0.00 -1.06 0.00 0.00 33.84 32.99 3i4h n VAL 54 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3i4h s LYS 55 N -0.03 4.05 0.00 1.45 1.02 -1.26 -4.95 119.74 120.02 3i4h s LYS 55 Ca 0.85 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.54 3i4h s LYS 55 Cb -1.11 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 32.91 3i4h s LYS 55 CO 0.54 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 3i4h n GLY 56 N 3.55 -1.86 3.68 -3.33 0.00 -1.26 -5.02 105.19 100.95 3i4h n GLY 56 Ca -0.16 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 3i4h n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i4h n PRO 57 N -0.37 1.80 0.00 1.61 -0.02 -1.26 -4.95 135.00 131.81 3i4h n PRO 57 Ca 0.00 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 3i4h n PRO 57 Cb 0.00 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.33 3i4h n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i4h n LYS 58 N 0.08 0.56 -2.40 -0.52 5.02 -1.26 -4.98 118.16 114.65 3i4h n LYS 58 Ca 0.07 -0.40 -0.03 0.00 -2.02 0.00 0.00 58.31 55.93 3i4h n LYS 58 Cb 0.39 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3i4h n LYS 58 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i4h n LEU 59 N -0.87 -1.75 -3.56 -0.35 4.77 -1.26 -5.00 117.00 108.97 3i4h n LEU 59 Ca 0.08 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 3i4h n LEU 59 Cb 0.37 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 3i4h n LEU 59 CO 0.32 0.04 0.29 0.72 -1.33 0.00 0.00 177.39 177.43 3i4h s PHE 60 N -2.67 -0.43 0.32 -1.77 -0.71 -1.26 -2.74 117.98 108.71 3i4h s PHE 60 Ca 0.05 0.47 -0.09 0.00 -1.04 0.00 0.00 56.93 56.33 3i4h s PHE 60 Cb -0.02 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.16 3i4h s PHE 60 CO 0.06 -0.66 0.54 -0.08 -1.34 0.00 0.00 175.22 173.75 3i4h s THR 61 N -2.51 0.00 0.15 -4.49 -1.32 -0.56 -3.52 115.64 103.39 3i4h s THR 61 Ca -0.05 -1.41 -0.24 0.00 -1.21 0.00 0.00 61.69 58.78 3i4h s THR 61 Cb -0.01 -2.55 0.06 0.00 -1.51 0.00 0.00 72.50 68.50 3i4h s THR 61 CO -0.02 0.00 0.83 -0.72 -2.21 0.00 0.00 174.62 172.50 3i4h s TYR 62 N -3.20 -0.25 0.07 9.09 1.13 -1.26 -1.05 117.35 121.87 3i4h s TYR 62 Ca 0.25 -0.04 0.01 0.00 -1.41 0.00 0.00 57.07 55.87 3i4h s TYR 62 Cb -0.02 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.48 3i4h s TYR 62 CO 0.15 -0.88 0.09 -1.13 -2.51 0.00 0.00 175.55 171.27 3i4h n SER 63 N -0.41 0.21 -4.79 -0.18 3.41 -0.51 -4.06 113.62 107.29 3i4h n SER 63 Ca -0.08 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.04 3i4h n SER 63 Cb 0.61 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3i4h n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i4h s LEU 64 N 0.00 3.53 -0.07 1.04 1.43 -1.04 -4.75 118.68 118.82 3i4h s LEU 64 Ca 0.07 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 54.83 3i4h s LEU 64 Cb -0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 3i4h s LEU 64 CO 0.04 -1.32 1.25 0.12 0.23 0.00 0.00 176.35 176.68 3i4h s PHE 65 N -2.25 3.03 0.26 0.29 5.36 -1.26 -4.57 117.98 118.84 3i4h s PHE 65 Ca 0.67 1.09 0.10 0.00 -0.96 0.00 0.00 56.93 57.83 3i4h s PHE 65 Cb -0.19 -3.49 -0.05 0.00 -0.34 0.00 0.00 43.02 38.95 3i4h s PHE 65 CO 0.35 -1.63 -0.18 -1.64 -1.46 0.00 0.00 175.22 170.67 3i4h s MET 66 N 2.58 1.57 0.11 10.12 -1.94 0.18 -4.91 119.30 127.02 3i4h s MET 66 Ca 0.57 -1.72 0.09 0.00 -1.71 0.00 0.00 55.69 52.93 3i4h s MET 66 Cb -0.25 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 3i4h s MET 66 CO 0.21 0.27 -0.23 0.00 -0.01 0.00 0.00 175.02 175.27 3i4h s ALA 67 N -2.67 1.98 0.44 3.03 0.00 -1.26 -0.37 121.76 122.91 3i4h s ALA 67 Ca 0.28 -1.31 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 3i4h s ALA 67 Cb -0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 3i4h s ALA 67 CO 0.12 0.42 1.27 -2.00 0.00 0.00 0.00 175.76 175.57 3i4h s GLU 68 N -1.92 3.79 0.00 0.00 2.12 -1.00 -4.44 118.70 117.25 3i4h s GLU 68 Ca 0.09 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.48 3i4h s GLU 68 Cb -0.10 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.70 3i4h s GLU 68 CO 0.05 -0.61 0.00 1.63 -0.54 0.00 0.00 175.26 175.79 3i4h n LYS 69 N -0.20 0.00 -2.68 4.30 4.01 -1.26 -2.98 118.16 119.35 3i4h n LYS 69 Ca 0.06 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.79 3i4h n LYS 69 Cb 0.45 -0.09 -0.02 0.00 -0.51 0.00 0.00 35.03 34.86 3i4h n LYS 69 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i4h n ARG 70 N -0.53 0.68 -3.24 1.97 3.00 -1.26 -4.57 116.66 112.70 3i4h n ARG 70 Ca 0.00 -0.98 0.04 0.00 -0.01 0.00 0.00 57.85 56.90 3i4h n ARG 70 Cb 0.25 0.59 -0.03 0.00 0.00 0.00 0.00 32.46 33.28 3i4h n ARG 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3i4h s GLU 71 N -2.43 0.21 -0.35 5.56 -6.30 -0.91 -4.96 118.70 109.52 3i4h s GLU 71 Ca 0.07 0.45 -0.13 0.00 -2.50 0.00 0.00 54.97 52.86 3i4h s GLU 71 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 34.13 34.39 3i4h s GLU 71 CO 0.05 -0.15 0.25 -1.01 0.02 0.00 0.00 175.26 174.42 3i4h s HIS 72 N 2.64 3.23 1.07 5.30 3.76 -1.26 -2.01 115.29 128.01 3i4h s HIS 72 Ca -0.01 -0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.44 3i4h s HIS 72 Cb -0.07 -2.50 0.27 0.00 1.11 0.00 0.00 32.58 31.39 3i4h s HIS 72 CO -0.14 -0.40 0.80 -2.30 -0.85 0.00 0.00 174.74 171.84 3i4h n PRO 73 N 5.11 -3.42 -3.57 8.40 -0.02 -1.26 -5.04 135.00 135.21 3i4h n PRO 73 Ca -0.12 -1.30 -0.36 0.00 -2.02 0.00 0.00 63.50 59.69 3i4h n PRO 73 Cb 0.49 -1.40 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 3i4h n PRO 73 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i4h s LYS 74 N -4.85 4.19 -1.59 -0.52 3.01 -1.26 -4.63 119.74 114.09 3i4h s LYS 74 Ca 0.56 -0.02 -0.10 0.00 -1.01 0.00 0.00 55.97 55.40 3i4h s LYS 74 Cb -0.07 -3.47 0.09 0.00 -1.01 0.00 0.00 37.83 33.36 3i4h s LYS 74 CO 0.44 0.15 0.57 0.41 0.51 0.00 0.00 175.35 177.44 3i4h n GLY 75 N 3.72 -0.33 3.54 -3.33 0.00 -1.26 -4.98 105.19 102.54 3i4h n GLY 75 Ca -0.13 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3i4h n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4h s LEU 76 N -7.17 2.92 0.02 0.99 1.02 -1.26 -5.03 118.68 110.16 3i4h s LEU 76 Ca 0.41 -0.36 0.14 0.00 0.02 0.00 0.00 54.13 54.33 3i4h s LEU 76 Cb -0.22 -1.72 0.58 0.00 0.02 0.00 0.00 46.19 44.85 3i4h s LEU 76 CO 0.92 0.22 1.43 -0.81 0.02 0.00 0.00 176.35 178.14 3i4h n PRO 77 N 1.13 0.02 -4.37 1.29 -0.04 -1.26 -4.82 135.00 126.94 3i4h n PRO 77 Ca -0.15 0.30 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 3i4h n PRO 77 Cb 0.52 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3i4h n PRO 77 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3i4h s TYR 78 N -3.03 1.73 0.53 0.54 -0.85 -1.26 -0.43 117.35 114.58 3i4h s TYR 78 Ca 0.06 -0.83 0.06 0.00 -0.52 0.00 0.00 57.07 55.84 3i4h s TYR 78 Cb 0.08 -1.00 0.03 0.00 0.38 0.00 0.00 41.96 41.45 3i4h s TYR 78 CO 0.24 0.10 0.42 -0.59 -1.52 0.00 0.00 175.55 174.20 3i4h s PHE 79 N -3.24 1.73 -0.07 -3.49 -0.71 0.15 -4.55 117.98 107.79 3i4h s PHE 79 Ca 0.29 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3i4h s PHE 79 Cb 0.05 -1.95 -0.03 0.00 -1.21 0.00 0.00 43.02 39.88 3i4h s PHE 79 CO 0.10 -0.47 -0.11 -0.51 -1.34 0.00 0.00 175.22 172.89 3i4h s LEU 80 N -4.28 2.90 0.27 -1.99 2.01 -0.85 -1.41 118.68 115.32 3i4h s LEU 80 Ca 0.37 -0.15 0.04 0.00 0.01 0.00 0.00 54.13 54.40 3i4h s LEU 80 Cb -0.02 -1.62 -0.06 0.00 0.01 0.00 0.00 46.19 44.51 3i4h s LEU 80 CO 0.23 0.32 -0.00 -0.83 1.01 0.00 0.00 176.35 177.08 3i4h s GLY 81 N -0.58 1.76 -0.02 -3.19 0.00 0.31 -2.15 107.32 103.46 3i4h s GLY 81 Ca 0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 3i4h s GLY 81 CO 0.02 -1.75 0.07 -0.19 0.00 0.00 0.00 173.10 171.25 3i4h s TYR 82 N -3.29 -0.01 0.00 1.90 1.51 -1.16 -1.72 117.35 114.59 3i4h s TYR 82 Ca 0.31 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 3i4h s TYR 82 Cb 0.06 -0.02 0.00 0.00 -0.11 0.00 0.00 41.96 41.89 3i4h s TYR 82 CO 0.11 -0.11 0.00 1.63 -1.11 0.00 0.00 175.55 176.07 3i4h n LYS 83 N 2.51 0.00 -3.79 -0.62 5.02 -1.26 -3.92 118.16 116.10 3i4h n LYS 83 Ca -0.16 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.02 3i4h n LYS 83 Cb 0.58 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.51 3i4h n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i4h s LYS 84 N 0.00 0.74 0.03 1.97 1.02 -1.26 -4.52 119.74 117.72 3i4h s LYS 84 Ca 0.00 -0.51 0.07 0.00 0.02 0.00 0.00 55.97 55.55 3i4h s LYS 84 Cb 0.00 0.32 -0.02 0.00 -0.52 0.00 0.00 37.83 37.60 3i4h s LYS 84 CO 0.00 -0.22 -0.20 0.20 -0.92 0.00 0.00 175.35 174.20 3i4h s GLY 85 N -1.97 1.07 0.21 -3.33 0.00 0.05 -2.38 107.32 100.99 3i4h s GLY 85 Ca -0.06 -1.01 -0.18 0.00 0.00 0.00 0.00 44.72 43.47 3i4h s GLY 85 CO -0.03 -0.93 0.56 -0.11 0.00 0.00 0.00 173.10 172.59 3i4h s PHE 86 N -0.75 -0.09 -0.06 1.90 -0.12 0.51 -0.04 117.98 119.34 3i4h s PHE 86 Ca 0.07 -0.27 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 3i4h s PHE 86 Cb -0.09 0.43 0.10 0.00 -0.63 0.00 0.00 43.02 42.83 3i4h s PHE 86 CO 0.01 -0.98 0.85 -0.59 -0.05 0.00 0.00 175.22 174.46 3i4h s PHE 87 N -3.89 -0.45 0.26 3.49 -0.71 -0.87 -0.64 117.98 115.17 3i4h s PHE 87 Ca 0.11 0.60 0.08 0.00 -1.04 0.00 0.00 56.93 56.68 3i4h s PHE 87 Cb -0.02 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3i4h s PHE 87 CO -0.00 -0.51 0.15 0.71 -1.34 0.00 0.00 175.22 174.22 3i4h s TYR 88 N -1.97 2.98 -0.04 3.49 1.51 -1.26 -0.58 117.35 121.48 3i4h s TYR 88 Ca -0.02 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3i4h s TYR 88 Cb -0.01 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3i4h s TYR 88 CO -0.01 0.52 0.16 0.12 -1.11 0.00 0.00 175.55 175.24 3i4h s PHE 89 N -2.20 -0.12 -0.03 2.71 5.36 -0.81 -1.43 117.98 121.45 3i4h s PHE 89 Ca 0.33 0.29 -0.09 0.00 -0.96 0.00 0.00 56.93 56.50 3i4h s PHE 89 Cb -0.07 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 3i4h s PHE 89 CO 0.24 -0.15 0.20 0.45 -1.46 0.00 0.00 175.22 174.50 3i4h s SER 90 N -0.35 -0.11 0.15 6.13 0.15 -0.21 -1.59 113.70 117.86 3i4h s SER 90 Ca -0.04 0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.57 3i4h s SER 90 Cb -0.03 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 3i4h s SER 90 CO 0.01 -0.27 0.38 0.28 1.20 0.00 0.00 173.24 174.83 3i4h s THR 91 N -0.80 0.07 -1.29 6.45 -1.32 -0.89 -1.50 115.64 116.36 3i4h s THR 91 Ca -0.09 -0.89 0.12 0.00 -1.21 0.00 0.00 61.69 59.63 3i4h s THR 91 Cb -0.05 -1.44 0.22 0.00 -1.51 0.00 0.00 72.50 69.72 3i4h s THR 91 CO 0.02 -0.31 1.08 0.00 -2.21 0.00 0.00 174.62 173.20 3i4h s VAL 93 N -1.01 5.17 0.53 0.00 1.01 -1.26 -2.54 120.40 122.30 3i4h s VAL 93 Ca 0.20 -0.70 0.26 0.00 0.00 0.00 0.00 61.98 61.74 3i4h s VAL 93 Cb 0.12 -4.06 0.32 0.00 0.00 0.00 0.00 36.38 32.75 3i4h s VAL 93 CO 0.16 -0.48 2.18 -0.65 0.00 0.00 0.00 175.10 176.32 3i4h h PRO 94 N 8.74 0.00 0.00 2.72 0.11 -1.84 -2.20 132.00 139.53 3i4h h PRO 94 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 3i4h h PRO 94 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3i4h h PRO 94 CO 0.82 0.04 -0.52 1.49 -0.21 0.00 0.00 178.00 179.62 3i4h h GLU 95 N 0.00 0.00 0.06 1.05 4.81 -1.96 -1.73 114.58 116.82 3i4h h GLU 95 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 3i4h h GLU 95 Cb 0.10 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.50 3i4h h GLU 95 CO 0.01 0.52 -1.14 0.82 -0.73 0.00 0.00 179.01 178.49 3i4h h ILE 96 N 0.00 1.30 -0.20 2.32 2.04 -1.84 -1.38 117.51 119.74 3i4h h ILE 96 Ca -0.01 -2.40 -0.02 0.00 1.00 0.00 0.00 64.86 63.44 3i4h h ILE 96 Cb 1.12 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 3i4h h ILE 96 CO 0.07 0.73 0.05 0.00 0.00 0.00 0.00 178.15 179.00 3i4h h ALA 97 N 0.39 0.27 -0.59 1.87 0.00 -1.35 -1.75 119.26 118.09 3i4h h ALA 97 Ca -0.15 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3i4h h ALA 97 Cb 1.80 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 3i4h h ALA 97 CO 0.22 -0.09 0.31 0.93 0.00 0.00 0.00 179.25 180.62 3i4h h GLU 98 N 0.14 0.56 -0.71 0.00 5.08 -1.35 -2.30 114.58 116.00 3i4h h GLU 98 Ca 0.06 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3i4h h GLU 98 Cb 0.27 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3i4h h GLU 98 CO 0.00 0.37 0.26 0.00 -1.00 0.00 0.00 179.01 178.64 3i4h h ALA 99 N 1.32 0.93 -0.46 3.43 0.00 -1.26 -2.19 119.26 121.03 3i4h h ALA 99 Ca 0.27 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i4h h ALA 99 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i4h h ALA 99 CO -0.18 0.57 0.03 1.25 0.00 0.00 0.00 179.25 180.92 3i4h h LEU 100 N 1.03 0.77 -0.04 0.00 7.12 -1.25 -1.23 115.31 121.72 3i4h h LEU 100 Ca 0.23 -0.29 -0.19 0.00 0.13 0.00 0.00 57.88 57.76 3i4h h LEU 100 Cb 0.25 -0.20 0.01 0.00 -0.53 0.00 0.00 40.66 40.19 3i4h h LEU 100 CO -0.01 0.86 -0.73 -0.37 -0.13 0.00 0.00 178.44 178.06 3i4h h VAL 101 N 0.64 1.36 -0.79 1.05 -1.51 -1.08 -1.97 116.25 113.95 3i4h h VAL 101 Ca 0.13 -2.07 0.04 0.00 -1.23 0.00 0.00 66.70 63.57 3i4h h VAL 101 Cb 0.45 2.40 -0.05 0.00 -2.13 0.00 0.00 31.29 31.96 3i4h h VAL 101 CO 0.02 0.62 0.52 0.78 -1.23 0.00 0.00 177.57 178.28 3i4h h ASN 102 N 0.15 0.83 -0.35 4.19 -0.26 -1.51 -1.63 115.58 117.00 3i4h h ASN 102 Ca -0.08 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 3i4h h ASN 102 Cb 1.41 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 3i4h h ASN 102 CO 0.15 0.57 0.08 1.23 -1.06 0.00 0.00 177.43 178.39 3i4h h GLY 103 N 0.96 0.61 2.00 2.83 0.00 -1.15 0.31 103.07 108.63 3i4h h GLY 103 Ca 0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3i4h h GLY 103 CO -0.10 0.36 -0.06 1.41 0.00 0.00 0.00 176.54 178.16 3i4h h LEU 104 N 0.42 0.00 0.00 3.11 3.38 -0.79 -2.93 115.31 118.50 3i4h h LEU 104 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3i4h h LEU 104 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3i4h h LEU 104 CO 0.00 0.06 -0.29 -0.07 0.09 0.00 0.00 178.44 178.24 3i4h h LEU 105 N 0.00 0.00 -1.43 1.67 3.38 -1.15 -3.24 115.31 114.54 3i4h h LEU 105 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3i4h h LEU 105 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3i4h h LEU 105 CO 0.01 1.02 0.34 0.24 0.09 0.00 0.00 178.44 180.14 3i4h h MET 106 N -1.00 0.00 -3.07 1.13 2.86 -0.43 -3.36 114.93 111.06 3i4h h MET 106 Ca -0.07 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 3i4h h MET 106 Cb 0.90 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.28 3i4h h MET 106 CO -0.04 0.00 -0.46 -0.80 1.06 0.00 0.00 176.91 176.67 3i4h s ASN 107 N -3.94 -0.26 0.00 1.22 0.02 -1.11 -5.04 114.94 105.83 3i4h s ASN 107 Ca -0.02 0.51 0.01 0.00 -1.02 0.00 0.00 52.86 52.34 3i4h s ASN 107 Cb 0.06 0.45 0.00 0.00 0.02 0.00 0.00 41.25 41.79 3i4h s ASN 107 CO 0.20 -0.13 0.41 -0.81 0.02 0.00 0.00 177.10 176.79 3i4h n PRO 108 N 3.64 0.86 -3.56 -0.60 -0.04 -1.22 -4.38 135.00 129.70 3i4h n PRO 108 Ca -0.20 -0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 62.43 3i4h n PRO 108 Cb 0.55 -0.90 -0.11 0.00 -0.04 0.00 0.00 33.50 33.00 3i4h n PRO 108 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i4h s GLU 109 N -0.29 2.92 0.05 0.54 2.02 -1.26 -0.39 118.70 122.30 3i4h s GLU 109 Ca 0.01 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 54.03 3i4h s GLU 109 Cb 0.01 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 3i4h s GLU 109 CO 0.01 -0.69 -0.09 0.14 0.02 0.00 0.00 175.26 174.65 3i4h s VAL 110 N 1.60 3.43 -0.22 2.63 -7.23 0.12 -4.96 120.40 115.78 3i4h s VAL 110 Ca 0.03 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3i4h s VAL 110 Cb -0.19 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.24 3i4h s VAL 110 CO 0.08 0.26 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.85 3i4h s ARG 111 N -1.78 2.76 -0.08 4.82 3.00 -1.26 -0.85 118.95 125.57 3i4h s ARG 111 Ca 0.19 -1.00 0.04 0.00 0.00 0.00 0.00 55.73 54.97 3i4h s ARG 111 Cb -0.11 -2.74 -0.00 0.00 0.00 0.00 0.00 34.95 32.09 3i4h s ARG 111 CO 0.10 -0.34 -0.22 -0.51 0.00 0.00 0.00 175.30 174.33 3i4h s LEU 112 N 1.25 2.00 0.00 2.53 1.43 -0.64 -4.92 118.68 120.32 3i4h s LEU 112 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3i4h s LEU 112 Cb -0.16 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3i4h s LEU 112 CO -0.09 0.16 0.00 -2.67 0.23 0.00 0.00 176.35 173.98 3i4h n TRP 113 N 3.36 0.00 0.67 0.29 2.14 -1.26 0.93 117.44 123.56 3i4h n TRP 113 Ca -0.19 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.44 3i4h n TRP 113 Cb 0.53 0.00 0.18 0.00 -0.81 0.00 0.00 31.31 31.20 3i4h n TRP 113 CO 0.00 0.00 0.00 -0.40 2.07 0.00 0.00 177.69 179.36 3i4h n ASP 114 N 1.38 2.26 -4.61 -0.67 3.85 -1.26 -4.97 116.55 112.53 3i4h n ASP 114 Ca 0.00 -2.05 -0.26 0.00 -0.71 0.00 0.00 54.79 51.77 3i4h n ASP 114 Cb 0.00 -0.30 -0.08 0.00 -1.35 0.00 0.00 41.12 39.39 3i4h n ASP 114 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3i4h s GLU 115 N -1.52 2.19 -0.18 0.11 0.41 0.26 -5.12 118.70 114.86 3i4h s GLU 115 Ca 0.27 -1.26 -0.02 0.00 -0.41 0.00 0.00 54.97 53.55 3i4h s GLU 115 Cb 0.15 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 30.27 3i4h s GLU 115 CO 0.17 0.43 -0.08 1.03 -0.49 0.00 0.00 175.26 176.32 3i4h s ARG 116 N -3.02 3.40 0.09 1.61 0.52 -1.26 -1.62 118.95 118.67 3i4h s ARG 116 Ca 0.27 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 3i4h s ARG 116 Cb -0.08 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 3i4h s ARG 116 CO 0.17 0.00 -0.09 -0.06 0.02 0.00 0.00 175.30 175.34 3i4h s PHE 117 N 0.93 0.98 -0.05 -0.53 0.08 -0.03 -1.23 117.98 118.13 3i4h s PHE 117 Ca -0.01 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.42 3i4h s PHE 117 Cb -0.15 -0.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 3i4h s PHE 117 CO 0.00 -0.04 -0.24 -0.47 -0.10 0.00 0.00 175.22 174.37 3i4h s TYR 118 N -2.51 2.45 -0.44 0.36 5.04 0.16 0.15 117.35 122.56 3i4h s TYR 118 Ca 0.05 -0.64 -0.33 0.00 -2.44 0.00 0.00 57.07 53.71 3i4h s TYR 118 Cb -0.02 -1.59 -0.11 0.00 0.35 0.00 0.00 41.96 40.58 3i4h s TYR 118 CO -0.01 -0.16 2.29 -0.11 -1.34 0.00 0.00 175.55 176.22 3i4h n LEU 119 N 2.84 2.02 0.00 6.97 7.94 0.48 -0.66 117.00 136.58 3i4h n LEU 119 Ca -0.17 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 3i4h n LEU 119 Cb 0.52 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.17 3i4h n LEU 119 CO 0.25 -0.87 0.00 1.57 -1.11 0.00 0.00 177.39 177.23 3i4h n HIS 120 N 11.08 0.00 -3.98 1.96 -0.00 -0.56 -4.88 115.22 118.84 3i4h n HIS 120 Ca 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 58.06 3i4h n HIS 120 Cb 0.27 -0.37 -0.10 0.00 -0.00 0.00 0.00 29.99 29.79 3i4h n HIS 120 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 3i4h s GLU 121 N -0.97 0.44 -0.19 1.57 -1.05 -1.09 -4.99 118.70 112.42 3i4h s GLU 121 Ca 0.00 -0.75 -0.00 0.00 -0.15 0.00 0.00 54.97 54.07 3i4h s GLU 121 Cb 0.00 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 3i4h s GLU 121 CO 0.00 -0.09 -0.15 0.42 0.95 0.00 0.00 175.26 176.39 3i4h s ILE 122 N -2.19 2.44 -0.30 1.83 1.01 -1.26 -1.12 121.20 121.62 3i4h s ILE 122 Ca -0.09 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 3i4h s ILE 122 Cb -0.04 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3i4h s ILE 122 CO -0.03 0.49 0.18 -0.75 0.00 0.00 0.00 174.94 174.83 3i4h s LYS 123 N 1.34 3.66 0.23 2.79 2.20 0.10 -4.93 119.74 125.13 3i4h s LYS 123 Ca 0.05 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 3i4h s LYS 123 Cb -0.14 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 3i4h s LYS 123 CO -0.10 -0.30 1.21 0.08 -0.36 0.00 0.00 175.35 175.88 3i4h s VAL 124 N 1.70 3.39 -0.09 4.02 1.01 -1.26 0.13 120.40 129.29 3i4h s VAL 124 Ca 0.06 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.32 3i4h s VAL 124 Cb -0.16 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3i4h s VAL 124 CO 0.09 0.23 -0.23 -0.76 0.00 0.00 0.00 175.10 174.43 3i4h s LEU 125 N -0.69 2.03 0.30 3.92 1.43 -0.72 -4.94 118.68 120.01 3i4h s LEU 125 Ca 0.51 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 3i4h s LEU 125 Cb -0.34 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 3i4h s LEU 125 CO 0.40 0.16 1.41 -0.13 0.23 0.00 0.00 176.35 178.42 3i4h s ARG 126 N 0.27 4.27 -0.11 1.70 0.52 -1.26 -4.57 118.95 119.77 3i4h s ARG 126 Ca -0.15 2.32 -0.17 0.00 -0.52 0.00 0.00 55.73 57.21 3i4h s ARG 126 Cb -0.17 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 3i4h s ARG 126 CO 0.07 -0.36 0.44 -2.00 0.02 0.00 0.00 175.30 173.47 3i4h s GLU 127 N -1.09 4.28 0.21 3.54 2.12 -1.26 -5.01 118.70 121.49 3i4h s GLU 127 Ca 0.55 0.39 -0.32 0.00 0.36 0.00 0.00 54.97 55.95 3i4h s GLU 127 Cb -0.42 -3.41 -0.14 0.00 0.26 0.00 0.00 34.13 30.42 3i4h s GLU 127 CO 0.49 0.24 1.28 -2.30 -0.54 0.00 0.00 175.26 174.43 3i4h n PRO 128 N 3.42 1.61 -0.22 4.30 -0.02 -1.26 -4.91 135.00 137.92 3i4h n PRO 128 Ca -0.09 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 61.98 3i4h n PRO 128 Cb 0.52 -2.14 0.13 0.00 -0.02 0.00 0.00 33.50 31.98 3i4h n PRO 128 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i4h h LYS 129 N 3.73 0.34 -4.48 -0.52 1.79 -2.06 -3.45 116.57 111.91 3i4h h LYS 129 Ca -0.44 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 57.80 3i4h h LYS 129 Cb 1.31 -0.08 -0.15 0.00 -1.58 0.00 0.00 32.23 31.74 3i4h h LYS 129 CO 0.72 0.22 -0.61 -1.59 -1.08 0.00 0.00 179.45 177.11 3i4h s LYS 130 N -6.08 1.09 0.00 3.15 0.00 -1.26 -5.07 119.74 111.57 3i4h s LYS 130 Ca -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 55.97 54.32 3i4h s LYS 130 Cb 0.18 0.27 0.00 0.00 0.00 0.00 0.00 37.83 38.28 3i4h s LYS 130 CO 0.75 -0.34 0.00 1.19 0.00 0.00 0.00 175.35 176.95 3i4h n PHE 131 N -0.19 0.00 -1.38 1.78 3.01 -1.26 -4.96 117.46 114.45 3i4h n PHE 131 Ca -0.02 0.00 -0.57 0.00 1.01 0.00 0.00 57.45 57.87 3i4h n PHE 131 Cb 0.65 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.02 3i4h n PHE 131 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3i4h n ASN 132 N -1.78 1.38 0.00 4.37 5.15 -1.26 -1.42 115.26 121.69 3i4h n ASN 132 Ca 0.00 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.63 3i4h n ASN 132 Cb 0.36 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 3i4h n ASN 132 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i4h n GLY 133 N 6.71 0.14 3.92 8.20 0.00 0.22 -4.97 105.19 119.42 3i4h n GLY 133 Ca 0.47 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 3i4h n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4h s SER 134 N -2.24 5.98 -0.05 1.61 0.01 -0.51 -4.74 113.70 113.75 3i4h s SER 134 Ca 0.00 0.73 -0.12 0.00 1.31 0.00 0.00 55.95 57.87 3i4h s SER 134 Cb 0.00 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 3i4h s SER 134 CO 0.00 -0.74 0.31 -0.89 0.41 0.00 0.00 173.24 172.33 3i4h s THR 135 N -2.77 5.21 0.11 1.44 2.01 -1.26 -2.31 115.64 118.07 3i4h s THR 135 Ca 0.49 0.62 0.09 0.00 0.31 0.00 0.00 61.69 63.19 3i4h s THR 135 Cb -0.10 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3i4h s THR 135 CO 0.43 0.57 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.41 3i4h s PHE 136 N -0.90 2.57 -0.05 4.92 0.40 0.50 -1.19 117.98 124.24 3i4h s PHE 136 Ca 0.20 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 3i4h s PHE 136 Cb -0.15 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 3i4h s PHE 136 CO 0.10 0.38 -0.19 0.08 0.70 0.00 0.00 175.22 176.29 3i4h s VAL 137 N -1.14 1.58 0.32 -0.44 1.01 -0.42 -0.89 120.40 120.43 3i4h s VAL 137 Ca 0.18 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 3i4h s VAL 137 Cb -0.11 -1.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.82 3i4h s VAL 137 CO 0.10 0.45 1.18 0.42 0.00 0.00 0.00 175.10 177.25 3i4h s THR 138 N -0.02 3.18 -0.19 3.92 -4.23 -0.08 -2.20 115.64 116.01 3i4h s THR 138 Ca -0.04 1.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.64 3i4h s THR 138 Cb -0.12 -3.72 -0.21 0.00 1.34 0.00 0.00 72.50 69.79 3i4h s THR 138 CO 0.02 0.24 0.06 0.18 -0.54 0.00 0.00 174.62 174.58 3i4h n LEU 139 N 0.84 2.47 -4.46 4.79 4.77 0.74 -4.86 117.00 121.29 3i4h n LEU 139 Ca 0.00 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 3i4h n LEU 139 Cb 0.44 -0.79 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 3i4h n LEU 139 CO 0.55 0.84 -0.50 -0.94 -1.33 0.00 0.00 177.39 176.01 3i4h s SER 140 N -6.58 3.77 0.65 -1.43 1.04 -0.93 -2.51 113.70 107.71 3i4h s SER 140 Ca -0.27 -0.51 -0.18 0.00 0.48 0.00 0.00 55.95 55.48 3i4h s SER 140 Cb 0.08 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.64 3i4h s SER 140 CO 0.69 0.22 1.28 -0.81 0.98 0.00 0.00 173.24 175.60 3i4h n PRO 141 N 1.22 1.08 -3.27 4.02 -0.04 -1.26 -1.68 135.00 135.06 3i4h n PRO 141 Ca -0.16 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.34 3i4h n PRO 141 Cb 0.52 -2.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 3i4h n PRO 141 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i4h s ILE 142 N -1.40 5.12 -0.25 0.52 1.01 -0.07 -0.47 121.20 125.65 3i4h s ILE 142 Ca 0.82 0.91 -0.12 0.00 0.00 0.00 0.00 60.65 62.26 3i4h s ILE 142 Cb -0.38 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3i4h s ILE 142 CO 0.41 0.19 0.23 0.00 0.00 0.00 0.00 174.94 175.77 3i4h s ALA 143 N 1.55 3.57 -0.09 9.38 0.00 -1.26 -0.64 121.76 134.27 3i4h s ALA 143 Ca 0.23 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3i4h s ALA 143 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.51 3i4h s ALA 143 CO 0.09 -0.39 -0.18 0.08 0.00 0.00 0.00 175.76 175.37 3i4h s VAL 144 N 1.46 1.60 0.03 0.00 1.01 -1.26 -0.73 120.40 122.50 3i4h s VAL 144 Ca 0.10 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3i4h s VAL 144 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3i4h s VAL 144 CO 0.08 0.46 -0.14 0.42 0.00 0.00 0.00 175.10 175.92 3i4h s THR 145 N 0.65 1.10 -0.01 3.92 -4.23 -1.26 -2.08 115.64 113.74 3i4h s THR 145 Ca -0.13 -0.95 0.07 0.00 -1.18 0.00 0.00 61.69 59.50 3i4h s THR 145 Cb -0.16 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 3i4h s THR 145 CO 0.04 0.04 -0.23 0.54 -0.54 0.00 0.00 174.62 174.46 3i4h s VAL 146 N -0.79 1.86 -0.36 2.29 0.11 -1.26 -4.87 120.40 117.37 3i4h s VAL 146 Ca 0.02 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.02 3i4h s VAL 146 Cb -0.08 -1.55 0.14 0.00 -1.53 0.00 0.00 36.38 33.37 3i4h s VAL 146 CO 0.01 0.48 0.24 -0.69 -3.33 0.00 0.00 175.10 171.81 3i4h s VAL 147 N -0.59 0.13 0.31 2.04 1.01 -1.26 -4.90 120.40 117.14 3i4h s VAL 147 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.30 3i4h s VAL 147 Cb -0.09 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3i4h s VAL 147 CO -0.00 -1.00 0.00 -1.22 0.00 0.00 0.00 175.10 172.88 3i4h n TYR 153 N 3.91 -2.46 -2.11 5.22 4.02 -1.26 -5.33 117.16 119.15 3i4h n TYR 153 Ca 0.14 1.28 -0.42 0.00 -0.01 0.00 0.00 57.90 58.90 3i4h n TYR 153 Cb 0.39 -2.23 -0.03 0.00 -0.02 0.00 0.00 39.34 37.45 3i4h n TYR 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i4h s ASP 154 N -6.39 6.77 -0.42 7.72 -0.00 -1.26 -4.10 116.67 119.00 3i4h s ASP 154 Ca 0.00 2.48 -0.04 0.00 -0.00 0.00 0.00 52.55 54.98 3i4h s ASP 154 Cb 0.00 -2.61 0.11 0.00 -0.00 0.00 0.00 42.92 40.42 3i4h s ASP 154 CO 0.00 -0.64 0.22 -0.69 -0.00 0.00 0.00 175.17 174.06 3i4h s VAL 155 N 0.47 3.51 0.63 -1.27 1.01 -0.88 -4.89 120.40 118.98 3i4h s VAL 155 Ca 0.61 -1.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.49 3i4h s VAL 155 Cb -0.39 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3i4h s VAL 155 CO 0.37 -0.66 0.81 -2.65 0.00 0.00 0.00 175.10 172.96 3i4h n PRO 156 N 4.68 0.66 0.10 2.72 -0.02 -1.26 -4.70 135.00 137.18 3i4h n PRO 156 Ca -0.04 0.27 0.10 0.00 -2.02 0.00 0.00 63.50 61.80 3i4h n PRO 156 Cb 0.41 -2.03 0.43 0.00 -0.02 0.00 0.00 33.50 32.30 3i4h n PRO 156 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i4h n PRO 157 N -0.90 0.13 0.12 0.52 -0.04 -1.26 -2.53 135.00 131.04 3i4h n PRO 157 Ca 0.13 0.43 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 3i4h n PRO 157 Cb 0.48 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 32.18 3i4h n PRO 157 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4h h MET 158 N 0.00 0.00 -7.34 0.54 -0.00 -2.03 -3.44 114.93 102.66 3i4h h MET 158 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 59.70 59.19 3i4h h MET 158 Cb 0.24 0.00 0.07 0.00 -0.00 0.00 0.00 31.60 31.91 3i4h h MET 158 CO 0.00 0.22 0.40 -1.21 -0.00 0.00 0.00 176.91 176.33 3i4h s GLU 159 N -3.10 3.44 -0.00 -0.10 2.02 -1.05 -5.02 118.70 114.88 3i4h s GLU 159 Ca 0.02 0.82 0.22 0.00 0.02 0.00 0.00 54.97 56.05 3i4h s GLU 159 Cb 0.08 -2.06 -0.19 0.00 0.10 0.00 0.00 34.13 32.05 3i4h s GLU 159 CO 0.76 -0.70 0.85 1.17 0.02 0.00 0.00 175.26 177.35 3i4h n LYS 160 N -2.77 0.17 0.14 1.61 3.00 -1.26 -3.92 118.16 115.12 3i4h n LYS 160 Ca 0.06 -0.04 0.01 0.00 -0.00 0.00 0.00 58.31 58.35 3i4h n LYS 160 Cb 0.54 -1.51 0.34 0.00 0.00 0.00 0.00 35.03 34.40 3i4h n LYS 160 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3i4h h GLU 161 N 0.00 0.15 -0.86 1.64 4.81 -1.95 -2.97 114.58 115.40 3i4h h GLU 161 Ca 0.00 -0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.35 3i4h h GLU 161 Cb 0.63 -0.01 -0.16 0.00 0.63 0.00 0.00 28.75 29.83 3i4h h GLU 161 CO 0.00 0.43 -0.21 0.34 -0.73 0.00 0.00 179.01 178.84 3i4h n PHE 162 N -4.15 0.31 0.06 0.92 7.35 -1.25 -0.48 117.46 120.21 3i4h n PHE 162 Ca -0.01 1.05 -0.09 0.00 -0.76 0.00 0.00 57.45 57.63 3i4h n PHE 162 Cb 0.37 -1.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.07 3i4h n PHE 162 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3i4h h TYR 163 N 0.00 0.09 0.10 -5.13 0.05 -1.77 -2.41 116.97 107.91 3i4h h TYR 163 Ca 0.41 -0.07 -0.28 0.00 0.05 0.00 0.00 58.73 58.84 3i4h h TYR 163 Cb 0.63 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 3i4h h TYR 163 CO -0.66 1.06 -1.36 0.66 -1.05 0.00 0.00 178.16 176.81 3i4h h SER 164 N 0.01 0.34 0.24 3.88 4.64 -1.38 -1.58 113.55 119.71 3i4h h SER 164 Ca -0.07 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3i4h h SER 164 Cb 1.83 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 3i4h h SER 164 CO 0.14 1.34 -0.22 0.40 -0.87 0.00 0.00 176.83 177.61 3i4h h ILE 165 N 0.06 0.52 -0.40 0.95 2.04 -0.84 -0.85 117.51 119.00 3i4h h ILE 165 Ca -0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3i4h h ILE 165 Cb 1.97 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 3i4h h ILE 165 CO 0.17 0.00 -0.15 0.40 0.00 0.00 0.00 178.15 178.57 3i4h h ILE 166 N -0.48 0.50 -0.65 -0.67 2.04 -1.45 -1.72 117.51 115.08 3i4h h ILE 166 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3i4h h ILE 166 Cb 0.45 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3i4h h ILE 166 CO -0.04 0.00 0.37 0.50 0.00 0.00 0.00 178.15 178.98 3i4h h LYS 167 N -0.07 0.68 -0.25 2.37 3.64 -1.22 0.76 116.57 122.48 3i4h h LYS 167 Ca 0.19 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3i4h h LYS 167 Cb 0.37 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3i4h h LYS 167 CO -0.45 0.45 -0.36 -0.44 -2.27 0.00 0.00 179.45 176.39 3i4h h ASP 168 N 0.70 0.76 -0.55 4.20 3.32 -0.77 -0.61 116.42 123.47 3i4h h ASP 168 Ca 0.28 -0.51 0.08 0.00 0.02 0.00 0.00 57.03 56.90 3i4h h ASP 168 Cb 0.14 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 3i4h h ASP 168 CO -0.16 1.12 0.21 -0.78 -1.72 0.00 0.00 179.24 177.90 3i4h h ASP 169 N 0.42 0.22 -0.02 6.45 3.58 -1.03 0.84 116.42 126.87 3i4h h ASP 169 Ca 0.03 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 3i4h h ASP 169 Cb 0.94 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 3i4h h ASP 169 CO 0.08 0.14 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.46 3i4h h LEU 170 N 0.39 0.20 -0.36 2.28 3.38 -0.73 0.11 115.31 120.58 3i4h h LEU 170 Ca 0.27 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 3i4h h LEU 170 Cb 0.30 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i4h h LEU 170 CO -0.27 0.29 -0.50 1.56 0.09 0.00 0.00 178.44 179.62 3i4h h GLN 171 N 0.21 0.86 -0.79 1.13 4.20 0.24 -1.07 115.11 119.90 3i4h h GLN 171 Ca 0.05 -0.51 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 3i4h h GLN 171 Cb 0.25 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3i4h h GLN 171 CO 0.01 1.15 0.44 -0.44 -0.67 0.00 0.00 178.83 179.32 3i4h h ASP 172 N 0.67 0.98 -0.17 1.46 3.32 0.17 -0.14 116.42 122.70 3i4h h ASP 172 Ca 0.03 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3i4h h ASP 172 Cb 1.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3i4h h ASP 172 CO 0.11 0.78 -0.06 0.11 -1.72 0.00 0.00 179.24 178.46 3i4h h LYS 173 N 1.09 0.49 -0.25 3.56 1.57 -0.87 -1.82 116.57 120.34 3i4h h LYS 173 Ca 0.28 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 3i4h h LYS 173 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3i4h h LYS 173 CO -0.05 0.57 -0.57 -0.92 -0.57 0.00 0.00 179.45 177.91 3i4h h TYR 174 N 0.47 1.00 0.52 -1.35 3.20 -0.79 0.28 116.97 120.30 3i4h h TYR 174 Ca 0.09 -0.37 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 3i4h h TYR 174 Cb 0.40 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.49 3i4h h TYR 174 CO 0.01 1.18 -0.25 -0.24 -1.64 0.00 0.00 178.16 177.22 3i4h h VAL 175 N 0.60 0.41 -0.52 1.81 3.04 -0.93 -1.68 116.25 118.98 3i4h h VAL 175 Ca 0.01 -0.32 0.05 0.00 -1.01 0.00 0.00 66.70 65.42 3i4h h VAL 175 Cb 1.17 0.53 -0.08 0.00 -2.01 0.00 0.00 31.29 30.91 3i4h h VAL 175 CO 0.12 0.05 -0.43 0.24 -1.01 0.00 0.00 177.57 176.54 3i4h h MET 176 N -0.91 -0.16 -0.32 4.17 2.86 -1.36 -3.36 114.93 115.85 3i4h h MET 176 Ca -0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3i4h h MET 176 Cb 0.61 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3i4h h MET 176 CO 0.12 -0.10 0.00 0.00 1.06 0.00 0.00 176.91 177.98 3i4h n ALA 177 N -3.08 2.56 -3.15 6.32 0.00 0.99 -4.56 120.51 119.59 3i4h n ALA 177 Ca -0.01 -1.66 -0.23 0.00 0.00 0.00 0.00 53.44 51.54 3i4h n ALA 177 Cb 0.23 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 3i4h n ALA 177 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i4h n TYR 178 N 0.09 1.86 0.00 0.00 4.02 -0.63 -4.72 117.16 117.77 3i4h n TYR 178 Ca 0.16 -3.88 0.00 0.00 -0.01 0.00 0.00 57.90 54.17 3i4h n TYR 178 Cb 0.64 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3i4h n TYR 178 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i4h n GLY 179 N 0.43 1.99 1.07 2.72 0.00 -1.26 -4.79 105.19 105.35 3i4h n GLY 179 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i4h n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i4h n ASP 180 N 5.55 0.00 -4.44 1.61 3.85 -1.26 -4.82 116.55 117.04 3i4h n ASP 180 Ca 0.00 0.00 -0.35 0.00 -0.71 0.00 0.00 54.79 53.73 3i4h n ASP 180 Cb 0.00 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 39.64 3i4h n ASP 180 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3i4h s LYS 181 N -0.60 3.58 0.01 0.11 -2.85 -1.26 -4.36 119.74 114.37 3i4h s LYS 181 Ca 0.00 -0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 54.29 3i4h s LYS 181 Cb 0.00 -3.01 -0.06 0.00 -2.06 0.00 0.00 37.83 32.70 3i4h s LYS 181 CO 0.00 0.04 0.40 -1.25 0.10 0.00 0.00 175.35 174.64 3i4h s PRO 182 N 0.89 3.87 0.86 1.78 0.04 -1.26 -5.01 135.00 136.17 3i4h s PRO 182 Ca 0.00 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 3i4h s PRO 182 Cb -0.14 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 3i4h s PRO 182 CO 0.02 0.67 -0.25 -2.30 0.04 0.00 0.00 177.00 175.18 3i4h n PRO 183 N 1.65 -0.01 0.00 0.56 -0.02 -1.26 -4.98 135.00 130.95 3i4h n PRO 183 Ca -0.13 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3i4h n PRO 183 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3i4h n PRO 183 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i4h n SER 184 N 1.82 1.78 -4.63 2.55 2.88 -1.26 -4.96 113.62 111.80 3i4h n SER 184 Ca 0.03 -0.28 -0.43 0.00 -1.33 0.00 0.00 58.87 56.86 3i4h n SER 184 Cb 0.53 0.92 -0.02 0.00 -0.75 0.00 0.00 64.21 64.88 3i4h n SER 184 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i4h s GLU 185 N -1.27 3.89 -0.11 -1.46 8.01 -1.26 -4.97 118.70 121.52 3i4h s GLU 185 Ca 0.00 1.23 -0.04 0.00 0.01 0.00 0.00 54.97 56.17 3i4h s GLU 185 Cb 0.00 -3.89 0.05 0.00 -4.31 0.00 0.00 34.13 25.98 3i4h s GLU 185 CO 0.00 -1.16 0.23 0.12 0.01 0.00 0.00 175.26 174.46 3i4h s PHE 186 N 4.48 -0.33 -0.03 1.61 5.36 -1.26 0.44 117.98 128.25 3i4h s PHE 186 Ca 0.57 0.81 -0.04 0.00 -0.96 0.00 0.00 56.93 57.31 3i4h s PHE 186 Cb -0.17 -0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.45 3i4h s PHE 186 CO 0.24 -0.29 0.10 -2.00 -1.46 0.00 0.00 175.22 171.81 3i4h s GLU 187 N 2.03 0.17 -0.09 10.12 2.12 0.80 -4.97 118.70 128.89 3i4h s GLU 187 Ca -0.02 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.39 3i4h s GLU 187 Cb -0.12 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.34 3i4h s GLU 187 CO -0.08 -0.03 -0.18 -1.64 -0.54 0.00 0.00 175.26 172.79 3i4h s MET 188 N -0.19 2.94 -0.55 4.30 -1.94 -1.26 -1.10 119.30 121.50 3i4h s MET 188 Ca -0.03 -0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 53.17 3i4h s MET 188 Cb -0.02 -2.40 0.14 0.00 2.01 0.00 0.00 34.83 34.56 3i4h s MET 188 CO 0.00 0.33 0.35 -2.00 -0.01 0.00 0.00 175.02 173.69 3i4h s GLU 189 N 0.00 2.30 -0.16 2.03 2.12 -0.52 -5.00 118.70 119.48 3i4h s GLU 189 Ca -0.06 -2.40 -0.29 0.00 0.36 0.00 0.00 54.97 52.59 3i4h s GLU 189 Cb -0.15 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 3i4h s GLU 189 CO 0.05 -1.13 2.00 0.08 -0.54 0.00 0.00 175.26 175.72 3i4h s VAL 190 N 0.15 3.18 0.00 3.70 1.01 -1.26 -1.49 120.40 125.69 3i4h s VAL 190 Ca 0.15 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 3i4h s VAL 190 Cb -0.22 -3.20 -0.29 0.00 0.00 0.00 0.00 36.38 32.68 3i4h s VAL 190 CO -0.03 -0.09 0.86 -0.07 0.00 0.00 0.00 175.10 175.76 3i4h h LEU 191 N 13.15 0.45 -7.43 3.92 3.38 -0.77 -3.47 115.31 124.54 3i4h h LEU 191 Ca -0.41 -0.61 -0.23 0.00 0.09 0.00 0.00 57.88 56.71 3i4h h LEU 191 Cb 1.22 -0.15 -0.31 0.00 0.09 0.00 0.00 40.66 41.51 3i4h h LEU 191 CO 0.97 1.51 -0.57 -0.63 0.09 0.00 0.00 178.44 179.81 3i4h s ILE 192 N -2.61 -0.04 -0.08 1.22 1.01 -1.10 -4.96 121.20 114.64 3i4h s ILE 192 Ca -0.10 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.73 3i4h s ILE 192 Cb 0.06 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.29 3i4h s ILE 192 CO 0.86 0.06 -0.14 0.00 0.00 0.00 0.00 174.94 175.72 3i4h s ALA 193 N 1.06 1.47 -0.05 9.38 0.00 -1.26 -1.95 121.76 130.41 3i4h s ALA 193 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3i4h s ALA 193 Cb -0.10 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3i4h s ALA 193 CO -0.06 0.06 -0.09 0.15 0.00 0.00 0.00 175.76 175.82 3i4h s LYS 194 N 0.77 1.21 0.38 0.00 1.02 -0.42 -4.99 119.74 117.70 3i4h s LYS 194 Ca -0.12 -0.29 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 3i4h s LYS 194 Cb -0.16 -1.08 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3i4h s LYS 194 CO 0.02 0.03 0.77 -1.25 -0.92 0.00 0.00 175.35 174.00 3i4h s PRO 195 N 0.57 3.86 -0.12 -1.68 0.04 -1.26 -0.75 135.00 135.66 3i4h s PRO 195 Ca -0.10 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 61.41 3i4h s PRO 195 Cb -0.13 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 32.05 3i4h s PRO 195 CO 0.02 0.02 0.29 -1.59 0.04 0.00 0.00 177.00 175.77 3i4h s LYS 196 N -3.57 0.30 0.09 4.56 -2.85 -0.77 -4.91 119.74 112.59 3i4h s LYS 196 Ca 0.52 0.49 0.08 0.00 -1.00 0.00 0.00 55.97 56.07 3i4h s LYS 196 Cb -0.10 0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 3i4h s LYS 196 CO 0.27 -0.10 -0.19 -0.98 0.10 0.00 0.00 175.35 174.46 3i4h s ARG 197 N 0.68 1.85 0.07 1.78 1.70 -1.26 -0.99 118.95 122.78 3i4h s ARG 197 Ca -0.04 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 3i4h s ARG 197 Cb -0.06 -2.12 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 3i4h s ARG 197 CO -0.04 0.50 0.00 1.19 -1.08 0.00 0.00 175.30 175.86 3i4h n PHE 198 N 1.04 -0.27 0.00 5.89 3.72 -1.26 -4.95 117.46 121.64 3i4h n PHE 198 Ca -0.16 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3i4h n PHE 198 Cb 0.52 0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3i4h n PHE 198 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3i4h n ARG 199 N -3.19 4.30 -3.98 -1.08 3.00 -1.26 -5.10 116.66 109.35 3i4h n ARG 199 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 3i4h n ARG 199 Cb 0.20 -0.48 -0.09 0.00 0.00 0.00 0.00 32.46 32.10 3i4h n ARG 199 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 3i4h s GLN 206 N -0.27 0.64 0.05 -0.14 -2.07 -1.26 -5.23 119.66 111.37 3i4h s GLN 206 Ca 0.00 -0.98 -0.22 0.00 -1.82 0.00 0.00 55.36 52.34 3i4h s GLN 206 Cb 0.00 0.24 -0.06 0.00 -1.09 0.00 0.00 33.01 32.10 3i4h s GLN 206 CO 0.00 -0.15 0.65 0.99 -1.32 0.00 0.00 175.29 175.46 3i4h s THR 207 N -3.34 4.74 0.28 3.63 2.01 -1.26 -4.50 115.64 117.20 3i4h s THR 207 Ca 0.01 1.39 0.06 0.00 0.31 0.00 0.00 61.69 63.46 3i4h s THR 207 Cb 0.03 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 3i4h s THR 207 CO -0.08 0.46 -0.04 0.00 -0.69 0.00 0.00 174.62 174.27 3i4h s ALA 208 N -0.55 2.28 -0.09 7.40 0.00 -0.16 -4.69 121.76 125.95 3i4h s ALA 208 Ca 0.33 -1.90 0.02 0.00 0.00 0.00 0.00 51.96 50.41 3i4h s ALA 208 Cb -0.20 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3i4h s ALA 208 CO 0.20 -0.12 -0.15 -1.58 0.00 0.00 0.00 175.76 174.12 3i4h s TRP 209 N -3.09 1.79 -0.05 0.00 0.52 0.19 -1.84 118.94 116.46 3i4h s TRP 209 Ca 0.30 -0.74 -0.30 0.00 0.02 0.00 0.00 56.10 55.38 3i4h s TRP 209 Cb 0.04 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 3i4h s TRP 209 CO 0.12 -0.37 1.10 -1.58 0.02 0.00 0.00 176.95 176.24 3i4h s HIS 210 N 0.74 3.40 0.01 -1.98 5.65 0.07 -0.89 115.29 122.29 3i4h s HIS 210 Ca -0.12 1.43 0.05 0.00 0.25 0.00 0.00 55.06 56.66 3i4h s HIS 210 Cb -0.16 -3.29 -0.01 0.00 -1.18 0.00 0.00 32.58 27.93 3i4h s HIS 210 CO 0.03 -0.73 -0.14 -0.51 -0.65 0.00 0.00 174.74 172.73 3i4h s LEU 211 N 1.83 2.08 -0.10 8.88 1.43 -1.26 -1.30 118.68 130.25 3i4h s LEU 211 Ca 0.53 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3i4h s LEU 211 Cb -0.22 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 3i4h s LEU 211 CO 0.22 0.12 -0.06 -0.69 0.23 0.00 0.00 176.35 176.18 3i4h s VAL 212 N -0.52 3.78 -0.16 -1.59 1.01 -0.82 -0.91 120.40 121.19 3i4h s VAL 212 Ca 0.04 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 3i4h s VAL 212 Cb -0.06 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.82 3i4h s VAL 212 CO 0.00 0.57 0.79 0.72 0.00 0.00 0.00 175.10 177.18 3i4h s PHE 213 N -0.44 -0.63 0.06 5.22 -0.71 -0.07 0.01 117.98 121.43 3i4h s PHE 213 Ca 0.07 1.29 0.02 0.00 -1.04 0.00 0.00 56.93 57.26 3i4h s PHE 213 Cb -0.12 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 3i4h s PHE 213 CO 0.02 -0.45 0.11 0.50 -1.34 0.00 0.00 175.22 174.06 3i4h s ARG 214 N -0.53 3.02 0.03 1.99 6.06 -0.55 0.19 118.95 129.16 3i4h s ARG 214 Ca -0.04 -0.61 0.01 0.00 -2.50 0.00 0.00 55.73 52.59 3i4h s ARG 214 Cb -0.02 -2.81 -0.02 0.00 0.06 0.00 0.00 34.95 32.16 3i4h s ARG 214 CO 0.04 0.59 -0.05 0.00 -2.50 0.00 0.00 175.30 173.37 3i4h s ALA 215 N -1.39 0.35 0.00 6.12 0.00 -0.98 -1.44 121.76 124.43 3i4h s ALA 215 Ca 0.30 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 3i4h s ALA 215 Cb -0.12 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3i4h s ALA 215 CO 0.22 -0.07 0.00 0.71 0.00 0.00 0.00 175.76 176.62 3i4h s TYR 216 N -1.29 0.05 -0.84 0.00 2.02 -0.26 0.72 117.35 117.76 3i4h s TYR 216 Ca -0.11 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3i4h s TYR 216 Cb -0.09 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.43 3i4h s TYR 216 CO -0.00 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.34 3i4h n GLY 217 N 2.73 0.31 3.74 0.71 0.00 -1.26 -0.14 105.19 111.28 3i4h n GLY 217 Ca -0.15 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 3i4h n GLY 217 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i4h s ASN 218 N -4.00 6.85 0.15 1.61 3.84 0.17 -4.74 114.94 118.82 3i4h s ASN 218 Ca 0.00 2.44 -0.13 0.00 0.21 0.00 0.00 52.86 55.38 3i4h s ASN 218 Cb 0.00 -2.61 0.03 0.00 -0.55 0.00 0.00 41.25 38.12 3i4h s ASN 218 CO 0.00 -0.57 1.67 0.44 -2.79 0.00 0.00 177.10 175.85 3i4h h ASP 219 N 5.43 0.76 0.79 -4.21 3.32 -1.96 -1.84 116.42 118.70 3i4h h ASP 219 Ca -0.45 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.36 3i4h h ASP 219 Cb 1.21 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 3i4h h ASP 219 CO 0.78 0.78 -0.12 0.44 -1.72 0.00 0.00 179.24 179.39 3i4h h ASP 220 N 0.70 0.00 0.51 6.45 3.45 -1.99 -0.89 116.42 124.65 3i4h h ASP 220 Ca 0.16 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.33 3i4h h ASP 220 Cb 0.31 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3i4h h ASP 220 CO -0.00 0.12 -1.49 0.25 -1.57 0.00 0.00 179.24 176.56 3i4h h LEU 221 N 0.00 0.33 -0.70 1.55 5.85 -1.92 -2.89 115.31 117.54 3i4h h LEU 221 Ca -0.00 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 3i4h h LEU 221 Cb 0.55 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3i4h h LEU 221 CO 0.02 1.37 -0.12 -0.07 -0.34 0.00 0.00 178.44 179.30 3i4h h LEU 222 N 0.06 0.88 -0.87 2.25 3.38 -0.71 -3.11 115.31 117.18 3i4h h LEU 222 Ca -0.22 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3i4h h LEU 222 Cb 1.99 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 3i4h h LEU 222 CO 0.15 1.01 0.55 0.50 0.09 0.00 0.00 178.44 180.74 3i4h h LYS 223 N 0.79 1.17 -0.56 1.13 3.64 -1.25 -0.57 116.57 120.93 3i4h h LYS 223 Ca 0.13 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3i4h h LYS 223 Cb 0.64 -0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 32.10 3i4h h LYS 223 CO 0.04 0.81 -0.27 0.28 -2.27 0.00 0.00 179.45 178.04 3i4h h VAL 224 N 1.19 0.25 -0.21 2.00 2.07 -1.51 -0.80 116.25 119.24 3i4h h VAL 224 Ca 0.32 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.69 3i4h h VAL 224 Cb -0.08 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3i4h h VAL 224 CO -0.06 0.00 -0.47 1.23 0.02 0.00 0.00 177.57 178.29 3i4h h GLY 225 N -0.13 0.60 1.11 2.17 0.00 -1.31 -1.96 103.07 103.56 3i4h h GLY 225 Ca 0.24 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3i4h h GLY 225 CO -0.64 0.58 0.05 -1.82 0.00 0.00 0.00 176.54 174.71 3i4h h TYR 226 N 0.44 1.15 0.03 5.60 3.20 -0.34 -1.61 116.97 125.44 3i4h h TYR 226 Ca 0.03 -0.18 -0.24 0.00 3.14 0.00 0.00 58.73 61.48 3i4h h TYR 226 Cb 0.99 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.95 3i4h h TYR 226 CO 0.04 0.99 -1.01 0.93 -1.64 0.00 0.00 178.16 177.47 3i4h h GLU 227 N 0.99 0.42 0.00 1.82 5.08 -0.92 -3.40 114.58 118.57 3i4h h GLU 227 Ca 0.19 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3i4h h GLU 227 Cb 0.50 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3i4h h GLU 227 CO 0.02 1.15 0.00 1.33 -1.00 0.00 0.00 179.01 180.52 3i4h n VAL 228 N -3.72 0.00 0.00 3.13 0.24 -0.76 -2.72 118.33 114.50 3i4h n VAL 228 Ca -0.08 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3i4h n VAL 228 Cb 0.88 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 34.61 3i4h n VAL 228 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4h n GLY 229 N 0.07 2.48 3.86 7.63 0.00 -0.61 -4.37 105.19 114.26 3i4h n GLY 229 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3i4h n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i4h s PHE 230 N -2.13 3.40 0.00 1.61 0.08 0.15 -4.48 117.98 116.60 3i4h s PHE 230 Ca 0.00 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.25 3i4h s PHE 230 Cb 0.00 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3i4h s PHE 230 CO 0.00 0.57 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 3i4h n GLY 231 N 0.49 0.23 3.87 4.36 0.00 -1.26 -4.26 105.19 108.62 3i4h n GLY 231 Ca -0.07 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 3i4h n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4h s GLU 232 N 0.00 2.73 -1.64 1.61 2.02 0.09 -4.67 118.70 118.83 3i4h s GLU 232 Ca 0.00 -1.31 -0.02 0.00 0.02 0.00 0.00 54.97 53.66 3i4h s GLU 232 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3i4h s GLU 232 CO 0.00 0.04 0.25 1.63 0.02 0.00 0.00 175.26 177.20 3i4h n LYS 233 N -1.43 -3.02 -0.23 1.61 5.02 -1.26 -4.41 118.16 114.45 3i4h n LYS 233 Ca -0.01 0.93 0.03 0.00 -2.02 0.00 0.00 58.31 57.25 3i4h n LYS 233 Cb 0.60 -5.67 0.13 0.00 -0.02 0.00 0.00 35.03 30.07 3i4h n LYS 233 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3i4h h ASN 234 N -0.57 -0.30 0.30 4.39 -0.26 -1.83 0.18 115.58 117.49 3i4h h ASN 234 Ca -0.50 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 3i4h h ASN 234 Cb 1.36 0.30 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 3i4h h ASN 234 CO 0.56 -0.14 0.00 -1.54 -1.06 0.00 0.00 177.43 175.25 3i4h n SER 235 N -5.31 0.00 -1.40 5.81 3.41 -1.23 0.36 113.62 115.26 3i4h n SER 235 Ca 0.11 0.34 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 3i4h n SER 235 Cb 0.42 -0.41 0.33 0.00 -0.26 0.00 0.00 64.21 64.29 3i4h n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i4h n LEU 236 N -1.41 4.44 -0.21 1.04 4.77 0.61 -4.94 117.00 121.30 3i4h n LEU 236 Ca 0.04 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 3i4h n LEU 236 Cb 0.11 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3i4h n LEU 236 CO 0.09 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3i4h n GLY 237 N 0.94 1.01 3.17 -0.72 0.00 0.16 -4.86 105.19 104.88 3i4h n GLY 237 Ca 0.24 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3i4h n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i4h s PHE 238 N -2.43 1.50 0.00 1.61 0.40 -1.12 -4.67 117.98 113.27 3i4h s PHE 238 Ca 0.00 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3i4h s PHE 238 Cb 0.00 -0.94 0.00 0.00 0.51 0.00 0.00 43.02 42.59 3i4h s PHE 238 CO 0.00 0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.34 3i4h n GLY 239 N 2.38 0.45 3.71 4.36 0.00 0.37 -3.96 105.19 112.51 3i4h n GLY 239 Ca -0.16 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 3i4h n GLY 239 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i4h s MET 240 N -1.84 4.53 0.37 1.61 0.00 -1.07 0.31 119.30 123.21 3i4h s MET 240 Ca 0.00 1.25 0.08 0.00 0.00 0.00 0.00 55.69 57.02 3i4h s MET 240 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 34.83 31.31 3i4h s MET 240 CO 0.00 0.00 -0.04 0.14 0.00 0.00 0.00 175.02 175.13 3i4h s VAL 241 N 0.88 2.04 0.12 10.11 -7.23 -1.26 0.26 120.40 125.32 3i4h s VAL 241 Ca 0.47 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 3i4h s VAL 241 Cb -0.20 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 3i4h s VAL 241 CO 0.25 -0.10 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.12 3i4h s LYS 242 N -3.68 0.92 -0.09 4.82 2.20 -0.94 -4.83 119.74 118.15 3i4h s LYS 242 Ca 0.34 -1.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.27 3i4h s LYS 242 Cb 0.06 -0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 3i4h s LYS 242 CO 0.17 -0.01 1.42 0.08 -0.36 0.00 0.00 175.35 176.64 3i4h s VAL 243 N -3.57 3.93 0.30 4.02 1.01 -1.26 -1.30 120.40 123.54 3i4h s VAL 243 Ca 0.14 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 3i4h s VAL 243 Cb 0.05 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3i4h s VAL 243 CO -0.03 -0.08 1.21 1.21 0.00 0.00 0.00 175.10 177.42 3i4h n GLU 244 N 6.45 1.82 0.00 2.72 2.13 -0.33 -4.85 120.64 128.58 3i4h n GLU 244 Ca 0.15 0.64 0.14 0.00 0.66 0.00 0.00 57.16 58.75 3i4h n GLU 244 Cb 0.44 -2.16 0.56 0.00 0.27 0.00 0.00 31.44 30.55 3i4h n GLU 244 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13