#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3man s THR 2 N 0.00 4.98 0.00 0.00 -4.23 -1.26 -4.79 115.64 110.34 3man s THR 2 Ca 0.00 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3man s THR 2 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3man s THR 2 CO 0.00 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3man n GLY 3 N -0.08 1.48 3.76 3.99 0.00 -1.26 -4.89 105.19 108.20 3man n GLY 3 Ca -0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3man n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3man s LEU 4 N 0.00 4.34 0.25 0.99 1.43 -0.42 -3.27 118.68 122.01 3man s LEU 4 Ca 0.00 2.95 -0.15 0.00 -1.03 0.00 0.00 54.13 55.90 3man s LEU 4 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3man s LEU 4 CO 0.00 -0.85 0.54 -1.38 0.23 0.00 0.00 176.35 174.88 3man s HIS 5 N -0.56 0.20 -0.11 0.29 -3.43 0.04 -4.06 115.29 107.66 3man s HIS 5 Ca 0.57 -0.58 -0.03 0.00 -0.80 0.00 0.00 55.06 54.22 3man s HIS 5 Cb -0.46 0.32 -0.03 0.00 -1.43 0.00 0.00 32.58 30.98 3man s HIS 5 CO 0.54 -1.04 0.00 0.08 -2.00 0.00 0.00 174.74 172.32 3man s VAL 6 N -3.98 4.31 -0.03 -5.38 1.01 -1.26 -0.43 120.40 114.63 3man s VAL 6 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3man s VAL 6 Cb -0.02 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3man s VAL 6 CO 0.08 0.57 0.07 -0.54 0.00 0.00 0.00 175.10 175.27 3man s LYS 7 N -0.49 0.01 -1.58 2.72 1.02 -0.50 -4.83 119.74 116.09 3man s LYS 7 Ca 0.09 0.23 -0.13 0.00 0.02 0.00 0.00 55.97 56.18 3man s LYS 7 Cb -0.12 -0.21 0.10 0.00 -0.52 0.00 0.00 37.83 37.08 3man s LYS 7 CO 0.02 -0.16 0.82 0.09 -0.92 0.00 0.00 175.35 175.20 3man n ASN 8 N 4.11 -3.41 0.00 2.83 3.02 -1.26 -1.46 115.26 119.09 3man n ASN 8 Ca -0.26 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3man n ASN 8 Cb 0.51 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 3man n ASN 8 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3man n GLY 9 N -1.60 0.60 3.29 7.41 0.00 -1.25 -4.95 105.19 108.68 3man n GLY 9 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3man n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3man s ARG 10 N -0.09 1.18 -0.21 1.61 0.52 -0.54 -3.90 118.95 117.53 3man s ARG 10 Ca 0.00 -1.54 -0.10 0.00 -0.52 0.00 0.00 55.73 53.57 3man s ARG 10 Cb 0.00 -0.68 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 3man s ARG 10 CO 0.00 0.03 0.13 -1.17 0.02 0.00 0.00 175.30 174.31 3man s LEU 11 N -3.23 4.15 0.08 2.53 2.96 -1.26 -1.41 118.68 122.50 3man s LEU 11 Ca 0.21 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 3man s LEU 11 Cb 0.03 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3man s LEU 11 CO 0.04 0.15 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.75 3man s TYR 12 N 0.53 1.41 0.72 5.38 1.51 0.42 -0.43 117.35 126.88 3man s TYR 12 Ca 0.07 -0.44 -0.11 0.00 -1.01 0.00 0.00 57.07 55.58 3man s TYR 12 Cb -0.12 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3man s TYR 12 CO -0.00 0.11 1.10 -1.21 -1.11 0.00 0.00 175.55 174.43 3man s GLU 13 N -1.78 2.77 0.61 -0.62 2.02 -0.11 -0.78 118.70 120.80 3man s GLU 13 Ca 0.01 0.47 0.36 0.00 0.02 0.00 0.00 54.97 55.83 3man s GLU 13 Cb -0.10 -2.01 1.98 0.00 0.10 0.00 0.00 34.13 34.10 3man s GLU 13 CO 0.03 -1.10 2.25 0.00 0.02 0.00 0.00 175.26 176.46 3man h ALA 14 N -0.70 1.21 -0.00 5.21 0.00 -1.88 -0.57 119.26 122.53 3man h ALA 14 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3man h ALA 14 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3man h ALA 14 CO 0.63 0.03 -0.02 0.27 0.00 0.00 0.00 179.25 180.17 3man n ASN 15 N -3.42 0.29 0.00 0.00 6.94 -1.26 -4.90 115.26 112.91 3man n ASN 15 Ca -0.02 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.64 3man n ASN 15 Cb 0.13 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 3man n ASN 15 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3man n GLY 16 N 1.11 0.68 3.72 4.83 0.00 -0.22 -5.05 105.19 110.25 3man n GLY 16 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3man n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3man s GLN 17 N -0.79 4.45 0.43 1.61 -1.52 -1.25 -4.84 119.66 117.75 3man s GLN 17 Ca 0.00 0.93 -0.25 0.00 -1.95 0.00 0.00 55.36 54.10 3man s GLN 17 Cb 0.00 -3.45 -0.08 0.00 -0.22 0.00 0.00 33.01 29.26 3man s GLN 17 CO 0.00 0.05 1.28 -2.00 -0.25 0.00 0.00 175.29 174.37 3man s GLU 18 N 0.83 3.83 -0.15 2.91 2.12 -1.26 -0.94 118.70 126.04 3man s GLU 18 Ca 0.39 2.08 0.02 0.00 0.36 0.00 0.00 54.97 57.82 3man s GLU 18 Cb -0.18 -2.63 0.01 0.00 0.26 0.00 0.00 34.13 31.60 3man s GLU 18 CO 0.19 -0.58 -0.21 0.12 -0.54 0.00 0.00 175.26 174.24 3man s PHE 19 N -1.33 2.66 -0.34 5.30 5.36 0.42 -4.83 117.98 125.23 3man s PHE 19 Ca 0.60 -1.43 -0.03 0.00 -0.96 0.00 0.00 56.93 55.11 3man s PHE 19 Cb -0.36 -1.83 0.07 0.00 -0.34 0.00 0.00 43.02 40.56 3man s PHE 19 CO 0.46 -0.67 0.09 0.42 -1.46 0.00 0.00 175.22 174.05 3man s ILE 20 N 1.00 3.23 0.21 3.12 1.01 -1.26 -4.53 121.20 123.97 3man s ILE 20 Ca -0.03 -1.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.75 3man s ILE 20 Cb -0.15 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 3man s ILE 20 CO -0.06 -0.31 1.56 -0.63 0.00 0.00 0.00 174.94 175.50 3man s ILE 21 N 1.24 2.48 -0.33 2.92 1.01 -1.26 -4.75 121.20 122.51 3man s ILE 21 Ca -0.00 0.37 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 3man s ILE 21 Cb -0.21 -3.23 0.13 0.00 0.01 0.00 0.00 42.46 39.16 3man s ILE 21 CO -0.01 0.04 0.20 -0.13 0.00 0.00 0.00 174.94 175.04 3man s ARG 22 N 0.55 0.43 0.06 2.79 1.81 -1.25 -1.10 118.95 122.23 3man s ARG 22 Ca 0.67 -0.99 -0.00 0.00 -1.72 0.00 0.00 55.73 53.69 3man s ARG 22 Cb -0.45 -1.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.87 3man s ARG 22 CO 0.37 -1.14 0.08 0.41 -0.68 0.00 0.00 175.30 174.33 3man n GLY 23 N 4.50 3.02 3.10 -3.53 0.00 -0.76 -1.35 105.19 110.16 3man n GLY 23 Ca 0.06 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 3man n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3man s VAL 24 N -2.48 0.24 0.13 1.61 -7.23 -1.18 -1.27 120.40 110.22 3man s VAL 24 Ca 0.05 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 3man s VAL 24 Cb -0.00 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 3man s VAL 24 CO 0.03 -0.97 0.57 -0.44 -0.31 0.00 0.00 175.10 173.98 3man s SER 25 N -2.93 6.92 -0.10 4.85 0.01 -0.63 -1.32 113.70 120.49 3man s SER 25 Ca 0.08 1.17 0.02 0.00 1.31 0.00 0.00 55.95 58.53 3man s SER 25 Cb 0.08 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 64.00 3man s SER 25 CO -0.09 0.15 -0.15 -2.28 0.41 0.00 0.00 173.24 171.28 3man s HIS 26 N -1.35 1.92 -1.61 2.43 5.04 0.25 -1.02 115.29 120.94 3man s HIS 26 Ca 0.35 -0.89 -0.10 0.00 -1.54 0.00 0.00 55.06 52.89 3man s HIS 26 Cb -0.17 -1.39 -0.07 0.00 0.04 0.00 0.00 32.58 30.99 3man s HIS 26 CO 0.19 -0.46 2.90 -0.35 -2.34 0.00 0.00 174.74 174.68 3man n PRO 27 N 4.18 3.67 -0.16 2.88 -0.04 -1.26 -1.95 135.00 142.31 3man n PRO 27 Ca -0.19 -2.26 -0.03 0.00 -0.04 0.00 0.00 63.50 60.98 3man n PRO 27 Cb 0.51 -2.83 0.07 0.00 -0.04 0.00 0.00 33.50 31.21 3man n PRO 27 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3man h HIS 28 N 5.07 0.29 -1.00 0.54 2.76 -1.85 -2.05 115.15 118.90 3man h HIS 28 Ca 0.85 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 59.13 3man h HIS 28 Cb 0.31 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.14 3man h HIS 28 CO 1.85 0.08 0.64 -0.97 -1.30 0.00 0.00 177.93 178.23 3man h ASN 29 N 0.33 1.01 1.40 3.26 -0.73 -1.42 -2.52 115.58 116.91 3man h ASN 29 Ca 0.25 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.44 3man h ASN 29 Cb 0.29 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.68 3man h ASN 29 CO -0.27 0.62 -0.55 -0.50 -0.37 0.00 0.00 177.43 176.36 3man h TRP 30 N 1.13 0.00 -2.04 0.67 6.55 -1.73 -3.39 115.95 117.14 3man h TRP 30 Ca 0.45 0.00 -0.54 0.00 0.95 0.00 0.00 58.89 59.75 3man h TRP 30 Cb 0.24 0.00 -0.40 0.00 -0.86 0.00 0.00 29.16 28.15 3man h TRP 30 CO -0.00 0.00 -1.05 0.66 -1.05 0.00 0.00 178.44 177.00 3man n TYR 31 N -2.79 0.61 0.30 0.49 4.01 -0.82 -4.95 117.16 114.01 3man n TYR 31 Ca 0.02 -3.75 0.19 0.00 -0.16 0.00 0.00 57.90 54.20 3man n TYR 31 Cb 0.53 -0.41 0.95 0.00 -0.31 0.00 0.00 39.34 40.10 3man n TYR 31 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3man h PRO 32 N 3.59 0.00 0.00 -0.72 0.13 -1.67 -1.90 132.00 131.43 3man h PRO 32 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3man h PRO 32 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3man h PRO 32 CO 0.54 0.02 0.00 -0.56 -0.23 0.00 0.00 178.00 177.78 3man h GLN 33 N 0.00 0.00 -2.01 0.86 -0.00 -1.92 -3.34 115.11 108.69 3man h GLN 33 Ca -0.00 0.00 -0.77 0.00 -0.00 0.00 0.00 58.65 57.88 3man h GLN 33 Cb 0.23 0.00 -0.27 0.00 -0.00 0.00 0.00 27.48 27.44 3man h GLN 33 CO 0.00 0.00 1.06 0.72 -0.00 0.00 0.00 178.83 180.61 3man n HIS 34 N -2.42 2.95 0.72 0.06 8.25 -0.71 -4.68 115.22 119.39 3man n HIS 34 Ca 0.03 -2.33 0.09 0.00 -0.26 0.00 0.00 57.72 55.25 3man n HIS 34 Cb 0.30 -1.19 0.43 0.00 1.12 0.00 0.00 29.99 30.65 3man n HIS 34 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3man n THR 35 N -0.50 0.62 0.30 1.59 -2.24 -1.26 -1.94 114.28 110.86 3man n THR 35 Ca 0.54 0.15 0.18 0.00 -2.27 0.00 0.00 64.05 62.65 3man n THR 35 Cb 0.24 -0.83 0.78 0.00 -2.10 0.00 0.00 70.33 68.42 3man n THR 35 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3man h GLN 36 N 0.00 0.00 -0.52 -0.78 -0.00 -1.95 -3.01 115.11 108.85 3man h GLN 36 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 3man h GLN 36 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.74 3man h GLN 36 CO 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 178.83 179.18 3man h ALA 37 N 2.03 1.98 -0.33 0.06 0.00 -1.75 -2.08 119.26 119.17 3man h ALA 37 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3man h ALA 37 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3man h ALA 37 CO 0.00 -0.08 0.19 0.74 0.00 0.00 0.00 179.25 180.10 3man h PHE 38 N 0.39 0.36 -0.62 0.00 -1.00 -1.78 0.13 116.94 114.42 3man h PHE 38 Ca 0.23 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.94 3man h PHE 38 Cb 0.42 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3man h PHE 38 CO -0.00 0.21 0.05 0.00 -1.61 0.00 0.00 178.31 176.97 3man h ALA 39 N 1.15 0.82 -0.62 2.45 0.00 -1.66 -2.41 119.26 118.99 3man h ALA 39 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3man h ALA 39 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3man h ALA 39 CO -0.06 0.62 0.22 -0.44 0.00 0.00 0.00 179.25 179.59 3man h ASP 40 N 0.95 0.87 -0.65 0.00 3.32 -1.05 -0.90 116.42 118.97 3man h ASP 40 Ca 0.18 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3man h ASP 40 Cb 0.49 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3man h ASP 40 CO 0.02 0.82 0.22 0.40 -1.72 0.00 0.00 179.24 178.99 3man h ILE 41 N 0.87 1.25 -0.76 0.35 2.04 -0.68 -2.68 117.51 117.90 3man h ILE 41 Ca 0.20 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3man h ILE 41 Cb 0.24 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3man h ILE 41 CO -0.01 0.32 0.30 0.50 0.00 0.00 0.00 178.15 179.26 3man h LYS 42 N 0.94 1.12 0.00 2.37 1.63 -1.19 -2.83 116.57 118.61 3man h LYS 42 Ca 0.21 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3man h LYS 42 Cb 0.27 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3man h LYS 42 CO -0.01 0.91 -0.04 0.66 -3.45 0.00 0.00 179.45 177.52 3man h SER 43 N 1.10 0.00 -0.04 4.20 4.64 -0.82 -0.47 113.55 122.17 3man h SER 43 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3man h SER 43 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3man h SER 43 CO -0.02 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 3man n HIS 44 N -3.63 0.03 0.00 4.77 8.25 -1.08 -4.95 115.22 118.61 3man n HIS 44 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3man n HIS 44 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3man n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3man n GLY 45 N 1.23 0.66 3.74 -1.41 0.00 -0.18 -4.06 105.19 105.16 3man n GLY 45 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3man n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3man s ALA 46 N -2.00 2.43 -0.83 4.61 0.00 -1.16 -4.70 121.76 120.11 3man s ALA 46 Ca 0.00 1.14 0.13 0.00 0.00 0.00 0.00 51.96 53.24 3man s ALA 46 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 3man s ALA 46 CO 0.00 -1.46 0.63 0.27 0.00 0.00 0.00 175.76 175.20 3man n ASN 47 N -1.81 0.89 -3.83 0.00 0.23 -0.45 -4.67 115.26 105.62 3man n ASN 47 Ca 0.15 -0.94 -0.12 0.00 -0.53 0.00 0.00 54.58 53.14 3man n ASN 47 Cb 0.49 0.83 -0.11 0.00 -2.08 0.00 0.00 39.78 38.91 3man n ASN 47 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3man s THR 48 N -2.07 0.04 -0.06 5.53 2.01 -1.23 -1.32 115.64 118.54 3man s THR 48 Ca 0.07 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3man s THR 48 Cb 0.10 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.23 3man s THR 48 CO 0.48 -0.20 -0.13 0.54 -0.69 0.00 0.00 174.62 174.61 3man s VAL 49 N -0.74 1.18 -0.29 3.82 0.11 -0.55 -3.12 120.40 120.81 3man s VAL 49 Ca -0.08 -0.52 -0.17 0.00 -2.93 0.00 0.00 61.98 58.28 3man s VAL 49 Cb -0.05 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3man s VAL 49 CO 0.01 0.36 0.45 -0.60 -3.33 0.00 0.00 175.10 171.99 3man s ARG 50 N 0.52 3.93 -0.26 1.54 3.52 -0.44 -0.65 118.95 127.12 3man s ARG 50 Ca -0.12 0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 55.47 3man s ARG 50 Cb -0.15 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 3man s ARG 50 CO 0.03 -0.39 0.10 0.08 -0.81 0.00 0.00 175.30 174.32 3man s VAL 51 N 2.21 4.51 -0.22 7.11 1.01 0.50 -0.59 120.40 134.94 3man s VAL 51 Ca 0.18 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3man s VAL 51 Cb -0.16 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3man s VAL 51 CO 0.10 0.29 1.36 -0.69 0.00 0.00 0.00 175.10 176.16 3man s VAL 52 N 1.64 4.09 0.36 2.92 1.01 -0.82 -2.03 120.40 127.57 3man s VAL 52 Ca 0.06 1.28 0.09 0.00 0.00 0.00 0.00 61.98 63.41 3man s VAL 52 Cb -0.16 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3man s VAL 52 CO 0.05 -0.28 -0.03 -0.76 0.00 0.00 0.00 175.10 174.08 3man s LEU 53 N 4.12 2.85 0.05 3.92 1.43 -0.30 -1.13 118.68 129.63 3man s LEU 53 Ca 0.59 -1.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 3man s LEU 53 Cb -0.21 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3man s LEU 53 CO 0.21 -0.28 -0.18 -0.55 0.23 0.00 0.00 176.35 175.78 3man s SER 54 N -3.68 2.09 0.00 2.29 0.15 -1.26 -1.25 113.70 112.04 3man s SER 54 Ca 0.34 -0.53 0.21 0.00 0.70 0.00 0.00 55.95 56.67 3man s SER 54 Cb 0.03 -0.14 0.53 0.00 -1.71 0.00 0.00 66.02 64.73 3man s SER 54 CO 0.18 0.07 1.44 -0.46 1.20 0.00 0.00 173.24 175.68 3man n ASN 55 N 1.71 3.00 0.00 5.45 6.94 -1.26 -2.13 115.26 128.97 3man n ASN 55 Ca -0.18 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 3man n ASN 55 Cb 0.54 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 3man n ASN 55 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3man n GLY 56 N 1.41 0.72 0.07 4.83 0.00 -1.25 -4.74 105.19 106.23 3man n GLY 56 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3man n GLY 56 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3man h VAL 57 N 0.00 1.60 0.00 1.61 2.07 -1.94 -3.41 116.25 116.18 3man h VAL 57 Ca 0.00 -1.92 -0.27 0.00 0.82 0.00 0.00 66.70 65.33 3man h VAL 57 Cb 0.00 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 3man h VAL 57 CO 0.00 0.49 -2.04 0.54 0.02 0.00 0.00 177.57 176.58 3man n ARG 58 N -4.70 0.88 -1.53 1.57 1.74 -1.26 -4.99 116.66 108.37 3man n ARG 58 Ca -0.09 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3man n ARG 58 Cb 0.39 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3man n ARG 58 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3man n TRP 59 N -2.86 -0.59 -3.18 -1.55 8.01 -1.26 -5.10 117.44 110.90 3man n TRP 59 Ca -0.30 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.51 3man n TRP 59 Cb 0.89 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 30.14 3man n TRP 59 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 3man s SER 60 N -0.79 6.81 0.23 -0.99 0.01 -1.26 -3.84 113.70 113.87 3man s SER 60 Ca 0.00 0.98 -0.32 0.00 1.31 0.00 0.00 55.95 57.92 3man s SER 60 Cb 0.00 -2.35 -0.13 0.00 0.21 0.00 0.00 66.02 63.75 3man s SER 60 CO 0.00 -0.07 1.48 1.17 0.41 0.00 0.00 173.24 176.23 3man n LYS 61 N 3.83 2.18 -2.91 12.44 4.81 -1.26 -4.52 118.16 132.73 3man n LYS 61 Ca -0.04 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.75 3man n LYS 61 Cb 0.51 -2.49 -0.05 0.00 0.02 0.00 0.00 35.03 33.03 3man n LYS 61 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3man s ASN 62 N 0.49 6.38 0.96 3.14 -0.87 -0.90 -4.93 114.94 119.21 3man s ASN 62 Ca 0.70 -0.24 -0.13 0.00 -1.57 0.00 0.00 52.86 51.62 3man s ASN 62 Cb -0.63 -2.41 0.17 0.00 -0.02 0.00 0.00 41.25 38.36 3man s ASN 62 CO 0.46 -1.06 1.12 -0.83 -2.57 0.00 0.00 177.10 174.22 3man s GLY 63 N 2.49 1.57 0.22 0.66 0.00 -1.26 -4.72 107.32 106.28 3man s GLY 63 Ca 0.30 -0.52 -0.08 0.00 0.00 0.00 0.00 44.72 44.42 3man s GLY 63 CO 0.21 0.09 1.72 -2.55 0.00 0.00 0.00 173.10 172.57 3man h PRO 64 N -1.72 0.35 -0.49 2.90 0.11 -1.96 -0.16 132.00 131.03 3man h PRO 64 Ca -0.52 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3man h PRO 64 Cb 1.33 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3man h PRO 64 CO 0.58 0.23 0.12 0.77 -0.21 0.00 0.00 178.00 179.50 3man h SER 65 N 0.36 0.69 -0.22 -2.05 0.02 -1.99 0.07 113.55 110.43 3man h SER 65 Ca 0.34 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3man h SER 65 Cb 0.49 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3man h SER 65 CO -0.38 0.68 -0.02 -0.78 -1.14 0.00 0.00 176.83 175.20 3man h ASP 66 N 0.72 0.41 -0.08 3.07 1.82 -1.70 -1.95 116.42 118.71 3man h ASP 66 Ca 0.16 -0.33 -0.07 0.00 -0.39 0.00 0.00 57.03 56.39 3man h ASP 66 Cb 0.27 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 3man h ASP 66 CO -0.00 0.64 -0.16 0.58 -1.61 0.00 0.00 179.24 178.69 3man h VAL 67 N 0.16 1.23 -0.91 2.25 2.07 -0.78 -1.22 116.25 119.06 3man h VAL 67 Ca 0.06 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3man h VAL 67 Cb 0.45 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3man h VAL 67 CO 0.02 0.34 0.50 0.00 0.02 0.00 0.00 177.57 178.44 3man h ALA 68 N 1.43 1.17 -0.49 1.67 0.00 -0.82 -1.58 119.26 120.64 3man h ALA 68 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3man h ALA 68 Cb 0.52 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3man h ALA 68 CO 0.03 0.67 0.10 -0.97 0.00 0.00 0.00 179.25 179.08 3man h ASN 69 N 1.27 0.77 -0.38 0.00 -0.00 -0.70 -1.05 115.58 115.48 3man h ASN 69 Ca 0.32 -0.25 0.03 0.00 -0.00 0.00 0.00 56.30 56.40 3man h ASN 69 Cb 0.03 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.11 3man h ASN 69 CO -0.05 0.82 0.18 0.58 -0.00 0.00 0.00 177.43 178.96 3man h VAL 70 N 0.68 0.97 -0.65 2.57 2.07 -0.84 -0.65 116.25 120.40 3man h VAL 70 Ca 0.15 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3man h VAL 70 Cb 0.37 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3man h VAL 70 CO 0.01 0.07 0.41 0.40 0.02 0.00 0.00 177.57 178.47 3man h ILE 71 N 0.38 1.18 -0.57 4.57 2.04 -1.08 -0.76 117.51 123.27 3man h ILE 71 Ca 0.16 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3man h ILE 71 Cb 0.08 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3man h ILE 71 CO -0.12 0.18 0.22 0.77 0.00 0.00 0.00 178.15 179.21 3man h SER 72 N 0.89 0.76 -0.45 1.72 4.64 -0.71 -0.49 113.55 119.90 3man h SER 72 Ca 0.24 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.35 3man h SER 72 Cb -0.05 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3man h SER 72 CO -0.05 0.68 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.40 3man h LEU 73 N 0.82 0.92 0.09 5.97 3.38 -0.56 0.13 115.31 126.06 3man h LEU 73 Ca 0.20 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3man h LEU 73 Cb 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3man h LEU 73 CO -0.02 1.05 -0.04 0.00 0.09 0.00 0.00 178.44 179.51 3man h LYS 75 N -0.20 0.92 -0.36 0.00 1.57 -0.76 -0.56 116.57 117.19 3man h LYS 75 Ca -0.01 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3man h LYS 75 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3man h LYS 75 CO 0.02 0.83 0.24 0.37 -0.57 0.00 0.00 179.45 180.34 3man h GLN 76 N 0.84 0.43 -0.67 3.15 4.15 -0.74 -1.91 115.11 120.37 3man h GLN 76 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3man h GLN 76 Cb 0.29 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3man h GLN 76 CO -0.00 0.29 0.00 0.09 -1.93 0.00 0.00 178.83 177.27 3man n ASN 77 N -4.48 4.50 -3.78 -0.69 3.02 -0.94 -4.95 115.26 107.93 3man n ASN 77 Ca 0.03 -2.36 -0.23 0.00 -0.03 0.00 0.00 54.58 51.99 3man n ASN 77 Cb 0.10 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 38.72 3man n ASN 77 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3man n ARG 78 N 1.18 -4.41 -5.28 3.52 1.74 -0.72 -4.88 116.66 107.80 3man n ARG 78 Ca 0.25 0.55 -0.31 0.00 -0.77 0.00 0.00 57.85 57.57 3man n ARG 78 Cb 0.83 -4.98 -0.16 0.00 -1.02 0.00 0.00 32.46 27.12 3man n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3man s LEU 79 N -6.78 2.05 0.22 0.55 1.43 -0.29 -4.73 118.68 111.14 3man s LEU 79 Ca 0.02 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 3man s LEU 79 Cb -0.01 -1.32 -0.08 0.00 0.03 0.00 0.00 46.19 44.81 3man s LEU 79 CO 0.84 0.31 1.07 -0.63 0.23 0.00 0.00 176.35 178.17 3man s ILE 80 N -0.57 3.77 -0.33 -0.59 -1.09 -0.44 -4.23 121.20 117.73 3man s ILE 80 Ca 0.09 1.65 -0.08 0.00 -2.23 0.00 0.00 60.65 60.08 3man s ILE 80 Cb -0.10 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 3man s ILE 80 CO -0.01 0.34 0.13 0.00 -1.23 0.00 0.00 174.94 174.17 3man s MET 82 N 1.51 2.93 0.07 0.00 1.75 0.18 -1.16 119.30 124.58 3man s MET 82 Ca 0.02 -1.24 -0.20 0.00 -1.25 0.00 0.00 55.69 53.02 3man s MET 82 Cb -0.18 -4.03 -0.07 0.00 2.84 0.00 0.00 34.83 33.40 3man s MET 82 CO 0.04 -0.91 0.58 -0.51 -0.65 0.00 0.00 175.02 173.57 3man s LEU 83 N 1.63 4.52 -0.00 4.11 1.43 -0.46 -0.37 118.68 129.53 3man s LEU 83 Ca 0.04 1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3man s LEU 83 Cb -0.22 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 3man s LEU 83 CO 0.07 0.25 0.02 -1.83 0.23 0.00 0.00 176.35 175.10 3man s GLU 84 N -1.00 0.10 -0.32 1.70 4.04 -0.86 -0.44 118.70 121.93 3man s GLU 84 Ca 0.29 -0.09 -0.20 0.00 0.04 0.00 0.00 54.97 55.01 3man s GLU 84 Cb -0.19 0.04 -0.01 0.00 0.02 0.00 0.00 34.13 33.99 3man s GLU 84 CO 0.19 -0.02 0.61 0.08 -1.84 0.00 0.00 175.26 174.28 3man s VAL 85 N -0.30 4.95 -0.64 1.83 1.01 -1.22 -1.15 120.40 124.87 3man s VAL 85 Ca -0.03 0.75 0.25 0.00 0.00 0.00 0.00 61.98 62.94 3man s VAL 85 Cb -0.02 -4.00 0.19 0.00 0.00 0.00 0.00 36.38 32.56 3man s VAL 85 CO -0.00 -0.16 1.56 -0.74 0.00 0.00 0.00 175.10 175.75 3man h HIS 86 N 8.26 0.00 0.00 5.22 2.76 -1.55 -0.76 115.15 129.08 3man h HIS 86 Ca -0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 3man h HIS 86 Cb 1.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3man h HIS 86 CO 0.75 0.00 0.00 -0.44 -1.30 0.00 0.00 177.93 176.94 3man h ASP 87 N 0.00 0.00 0.98 3.26 5.19 -1.91 -2.36 116.42 121.58 3man h ASP 87 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3man h ASP 87 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 3man h ASP 87 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3man n THR 88 N -2.73 0.72 -1.69 0.35 -2.24 -1.26 -1.09 114.28 106.34 3man n THR 88 Ca -0.00 0.05 -0.57 0.00 -2.27 0.00 0.00 64.05 61.26 3man n THR 88 Cb 0.19 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.42 3man n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3man n THR 89 N -2.18 0.23 -1.19 4.28 -1.04 -0.89 -1.98 114.28 111.53 3man n THR 89 Ca 0.04 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 3man n THR 89 Cb 0.30 -1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 3man n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3man n GLY 90 N 3.85 0.85 3.60 3.41 0.00 -0.19 -4.73 105.19 111.98 3man n GLY 90 Ca 0.25 -0.46 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 3man n GLY 90 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3man n TYR 91 N -2.70 1.41 0.00 1.61 9.36 -0.84 -0.63 117.16 125.38 3man n TYR 91 Ca -0.06 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.81 3man n TYR 91 Cb 0.27 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 3man n TYR 91 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3man n GLY 92 N 1.61 3.18 0.80 2.98 0.00 -1.26 -1.81 105.19 110.68 3man n GLY 92 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3man n GLY 92 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3man n GLU 93 N -1.09 0.00 -2.51 1.61 2.13 -0.52 -4.66 120.64 115.60 3man n GLU 93 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3man n GLU 93 Cb 0.00 -0.54 -0.02 0.00 0.27 0.00 0.00 31.44 31.15 3man n GLU 93 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3man s GLN 94 N -1.87 4.31 0.26 5.31 2.00 0.20 -4.99 119.66 124.88 3man s GLN 94 Ca 0.00 1.58 -0.30 0.00 -2.00 0.00 0.00 55.36 54.64 3man s GLN 94 Cb 0.00 -3.64 -0.10 0.00 0.80 0.00 0.00 33.01 30.07 3man s GLN 94 CO 0.00 -0.54 1.43 0.45 -0.50 0.00 0.00 175.29 176.13 3man s SER 95 N 1.54 6.65 0.00 6.67 0.15 -1.26 -3.03 113.70 124.42 3man s SER 95 Ca 0.52 2.69 0.00 0.00 0.70 0.00 0.00 55.95 59.86 3man s SER 95 Cb -0.21 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 3man s SER 95 CO 0.16 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.52 3man n GLY 96 N 2.01 0.71 3.77 9.45 0.00 -1.26 -5.03 105.19 114.85 3man n GLY 96 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3man n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3man s ALA 97 N -2.71 2.53 0.46 4.61 0.00 -1.17 -4.49 121.76 120.99 3man s ALA 97 Ca 0.00 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 3man s ALA 97 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3man s ALA 97 CO 0.00 -1.16 0.99 0.45 0.00 0.00 0.00 175.76 176.04 3man s SER 98 N -2.49 6.66 0.62 0.00 0.15 -0.25 -4.96 113.70 113.43 3man s SER 98 Ca 0.67 1.79 -0.05 0.00 0.70 0.00 0.00 55.95 59.06 3man s SER 98 Cb -0.20 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 3man s SER 98 CO 0.39 -0.55 0.93 0.42 1.20 0.00 0.00 173.24 175.62 3man s THR 99 N -2.11 3.10 0.33 6.45 -4.23 -1.26 -4.22 115.64 113.70 3man s THR 99 Ca 0.64 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 3man s THR 99 Cb -0.12 -3.26 0.18 0.00 1.34 0.00 0.00 72.50 70.64 3man s THR 99 CO 0.17 -0.26 1.90 -0.07 -0.54 0.00 0.00 174.62 175.81 3man h LEU 100 N -0.29 0.59 -1.03 4.79 3.38 -1.94 -2.30 115.31 118.50 3man h LEU 100 Ca -0.45 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3man h LEU 100 Cb 1.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3man h LEU 100 CO 0.60 0.59 0.27 -0.78 0.09 0.00 0.00 178.44 179.21 3man h ASP 101 N 0.63 0.88 0.32 -0.43 3.58 -1.93 -0.14 116.42 119.32 3man h ASP 101 Ca 0.15 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 3man h ASP 101 Cb 0.23 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3man h ASP 101 CO -0.00 0.78 -0.48 1.56 -2.88 0.00 0.00 179.24 178.21 3man h GLN 102 N 0.95 0.20 -0.36 0.28 4.20 -1.84 -1.71 115.11 116.84 3man h GLN 102 Ca 0.23 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3man h GLN 102 Cb 0.17 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3man h GLN 102 CO -0.02 0.64 0.14 0.00 -0.67 0.00 0.00 178.83 178.92 3man h ALA 103 N 1.34 0.47 -0.76 3.87 0.00 -0.86 -2.87 119.26 120.44 3man h ALA 103 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3man h ALA 103 Cb 0.92 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3man h ALA 103 CO 0.07 0.08 0.38 0.28 0.00 0.00 0.00 179.25 180.06 3man h VAL 104 N 0.43 1.23 -0.94 0.00 2.07 -0.65 -1.47 116.25 116.92 3man h VAL 104 Ca 0.12 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.12 3man h VAL 104 Cb 0.20 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 3man h VAL 104 CO -0.01 0.27 0.56 0.44 0.02 0.00 0.00 177.57 178.86 3man h ASP 105 N 1.07 0.80 -0.16 0.57 3.32 -1.22 -0.92 116.42 119.88 3man h ASP 105 Ca 0.26 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 3man h ASP 105 Cb 0.08 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3man h ASP 105 CO -0.04 0.41 -0.22 0.22 -1.72 0.00 0.00 179.24 177.90 3man h TYR 106 N 0.88 0.53 -0.72 4.55 3.20 -1.13 -2.04 116.97 122.24 3man h TYR 106 Ca 0.48 -0.17 0.08 0.00 3.14 0.00 0.00 58.73 62.25 3man h TYR 106 Cb 0.51 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 3man h TYR 106 CO -0.03 0.84 0.40 -1.49 -1.64 0.00 0.00 178.16 176.24 3man h TRP 107 N 0.07 0.72 -0.62 -3.82 4.06 -0.75 -1.80 115.95 113.81 3man h TRP 107 Ca 0.02 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 3man h TRP 107 Cb 0.78 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.69 3man h TRP 107 CO 0.09 0.31 0.27 0.82 -3.56 0.00 0.00 178.44 176.37 3man h ILE 108 N 0.70 1.21 -0.07 1.49 2.04 -1.11 -1.37 117.51 120.41 3man h ILE 108 Ca 0.34 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3man h ILE 108 Cb 0.27 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3man h ILE 108 CO -0.22 0.26 -0.00 -0.33 0.00 0.00 0.00 178.15 177.86 3man h GLU 109 N 0.88 0.10 -0.22 2.37 5.08 -0.59 -1.63 114.58 120.57 3man h GLU 109 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3man h GLU 109 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3man h GLU 109 CO -0.02 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 3man n LEU 110 N -4.47 1.71 -0.25 1.33 4.77 -0.55 -4.55 117.00 114.99 3man n LEU 110 Ca -0.02 -0.76 0.05 0.00 -0.03 0.00 0.00 56.01 55.25 3man n LEU 110 Cb 0.13 -0.15 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 3man n LEU 110 CO 0.35 0.38 0.91 0.50 -1.33 0.00 0.00 177.39 178.20 3man h LYS 111 N 2.12 0.22 0.00 3.23 3.64 -0.94 -0.69 116.57 124.16 3man h LYS 111 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3man h LYS 111 Cb 0.47 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3man h LYS 111 CO 0.00 0.14 -0.11 0.66 -2.27 0.00 0.00 179.45 177.87 3man h SER 112 N 0.22 0.00 0.62 4.20 4.64 -1.83 -0.01 113.55 121.39 3man h SER 112 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3man h SER 112 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3man h SER 112 CO -0.54 0.11 -0.94 1.33 -0.87 0.00 0.00 176.83 175.93 3man n VAL 113 N -4.05 0.28 -0.07 0.95 0.24 -0.34 -4.33 118.33 111.01 3man n VAL 113 Ca -0.02 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 3man n VAL 113 Cb 0.20 0.03 -0.14 0.00 -1.47 0.00 0.00 33.84 32.45 3man n VAL 113 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3man n LEU 114 N -2.11 1.31 -4.76 1.34 4.77 -0.77 -4.83 117.00 111.95 3man n LEU 114 Ca 0.02 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 3man n LEU 114 Cb 0.46 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3man n LEU 114 CO 0.39 0.62 1.20 -1.10 -1.33 0.00 0.00 177.39 177.17 3man s GLN 115 N -2.54 4.14 0.00 3.23 -1.52 -0.08 -2.07 119.66 120.82 3man s GLN 115 Ca -0.16 2.54 0.00 0.00 -1.95 0.00 0.00 55.36 55.80 3man s GLN 115 Cb 0.07 -3.02 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 3man s GLN 115 CO 0.77 -0.57 0.00 0.41 -0.25 0.00 0.00 175.29 175.65 3man n GLY 116 N 1.65 0.87 1.20 3.09 0.00 -1.26 -4.92 105.19 105.82 3man n GLY 116 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3man n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3man n GLU 117 N -2.00 2.62 0.31 1.61 -0.58 -0.88 -4.71 120.64 117.01 3man n GLU 117 Ca 0.00 -3.00 0.19 0.00 -0.42 0.00 0.00 57.16 53.93 3man n GLU 117 Cb 0.00 -1.90 0.97 0.00 -0.57 0.00 0.00 31.44 29.94 3man n GLU 117 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3man h GLU 118 N 1.60 0.00 0.00 3.49 3.07 -1.84 -0.16 114.58 120.74 3man h GLU 118 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3man h GLU 118 Cb 1.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 3man h GLU 118 CO 0.39 0.02 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.50 3man h ASP 119 N 0.00 0.00 0.00 1.42 3.32 -1.90 -1.10 116.42 118.16 3man h ASP 119 Ca -0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3man h ASP 119 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3man h ASP 119 CO 0.00 0.01 -1.06 -1.22 -1.72 0.00 0.00 179.24 175.26 3man n TYR 120 N -2.47 0.00 -4.92 4.55 4.01 -0.19 -4.67 117.16 113.46 3man n TYR 120 Ca 0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.51 3man n TYR 120 Cb 0.46 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 39.30 3man n TYR 120 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3man s VAL 121 N -2.08 1.59 -0.09 -0.72 1.01 -0.48 -1.25 120.40 118.39 3man s VAL 121 Ca -0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 3man s VAL 121 Cb 0.01 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3man s VAL 121 CO 0.05 0.45 -0.02 -0.76 0.00 0.00 0.00 175.10 174.82 3man s LEU 122 N 0.22 3.42 -0.37 3.92 1.43 -0.31 -4.60 118.68 122.39 3man s LEU 122 Ca -0.10 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3man s LEU 122 Cb -0.14 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3man s LEU 122 CO 0.04 0.35 0.20 -0.63 0.23 0.00 0.00 176.35 176.55 3man s ILE 123 N -0.75 4.47 -0.57 -0.59 1.01 -0.96 -1.36 121.20 122.45 3man s ILE 123 Ca 0.11 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 3man s ILE 123 Cb -0.11 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 38.91 3man s ILE 123 CO 0.02 -0.25 0.74 0.21 0.00 0.00 0.00 174.94 175.65 3man s ASN 124 N 1.57 6.21 0.19 3.58 3.04 0.42 -0.15 114.94 129.79 3man s ASN 124 Ca 0.02 -1.10 -0.15 0.00 0.04 0.00 0.00 52.86 51.66 3man s ASN 124 Cb -0.19 -2.33 0.17 0.00 -1.54 0.00 0.00 41.25 37.36 3man s ASN 124 CO 0.06 -1.10 1.64 0.40 -3.04 0.00 0.00 177.10 175.07 3man h ILE 125 N 5.92 0.47 -1.96 -5.21 2.04 -1.58 -3.24 117.51 113.94 3man h ILE 125 Ca -0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3man h ILE 125 Cb 1.09 0.47 -0.21 0.00 -0.74 0.00 0.00 36.82 37.42 3man h ILE 125 CO 1.07 0.00 0.12 -0.83 0.00 0.00 0.00 178.15 178.51 3man s GLY 126 N -3.28 -0.54 0.26 5.37 0.00 -1.26 -4.05 107.32 103.81 3man s GLY 126 Ca -0.14 2.24 -0.30 0.00 0.00 0.00 0.00 44.72 46.52 3man s GLY 126 CO 0.72 2.00 1.36 0.21 0.00 0.00 0.00 173.10 177.40 3man s ASN 127 N 0.83 6.76 -0.35 1.64 3.84 -0.29 -4.27 114.94 123.09 3man s ASN 127 Ca -0.03 2.59 -0.02 0.00 0.21 0.00 0.00 52.86 55.61 3man s ASN 127 Cb -0.05 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 3man s ASN 127 CO -0.07 -0.60 0.24 -0.62 -2.79 0.00 0.00 177.10 173.26 3man n GLU 128 N 2.00 -0.63 0.00 0.43 1.02 -1.26 -2.89 120.64 119.32 3man n GLU 128 Ca 0.05 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 3man n GLU 128 Cb 0.41 -0.82 0.62 0.00 -0.02 0.00 0.00 31.44 31.63 3man n GLU 128 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3man n PRO 129 N -1.51 0.38 -4.08 3.49 -0.04 -1.25 -1.02 135.00 130.97 3man n PRO 129 Ca -0.12 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 3man n PRO 129 Cb 0.27 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 3man n PRO 129 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3man s TYR 130 N -2.52 0.52 0.00 0.54 2.02 -1.26 -3.50 117.35 113.15 3man s TYR 130 Ca 0.24 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 3man s TYR 130 Cb 0.16 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.40 3man s TYR 130 CO 0.36 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.69 3man n GLY 131 N 2.15 0.98 0.43 0.71 0.00 -0.75 -0.59 105.19 108.12 3man n GLY 131 Ca -0.18 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.86 3man n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3man n ASN 132 N 0.00 1.81 -4.67 1.61 3.02 -1.26 -1.59 115.26 114.18 3man n ASN 132 Ca 0.00 -1.41 -0.45 0.00 -0.03 0.00 0.00 54.58 52.70 3man n ASN 132 Cb 0.00 0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 3man n ASN 132 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3man n ASP 133 N 0.35 3.83 -0.30 6.41 2.03 -1.26 -4.87 116.55 122.74 3man n ASP 133 Ca 0.07 0.94 -0.01 0.00 0.52 0.00 0.00 54.79 56.31 3man n ASP 133 Cb 0.31 -1.46 0.11 0.00 -0.72 0.00 0.00 41.12 39.36 3man n ASP 133 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3man h SER 134 N 9.75 0.85 -0.31 1.67 0.02 -1.95 -0.63 113.55 122.96 3man h SER 134 Ca -0.49 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 3man h SER 134 Cb 1.25 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 3man h SER 134 CO 0.94 0.58 0.05 0.00 -1.14 0.00 0.00 176.83 177.26 3man h ALA 135 N 1.36 1.35 0.05 3.77 0.00 -1.99 -1.87 119.26 121.93 3man h ALA 135 Ca 0.34 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 3man h ALA 135 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3man h ALA 135 CO -0.13 0.46 -1.63 1.79 0.00 0.00 0.00 179.25 179.73 3man h THR 136 N 0.59 0.98 -0.67 0.00 1.35 -1.87 -3.26 112.91 110.02 3man h THR 136 Ca 0.13 -2.74 0.03 0.00 -0.55 0.00 0.00 66.41 63.28 3man h THR 136 Cb 0.29 2.57 -0.04 0.00 -1.73 0.00 0.00 68.15 69.25 3man h THR 136 CO 0.00 0.70 0.44 0.58 -0.25 0.00 0.00 175.52 177.00 3man h VAL 137 N 0.03 1.10 0.00 6.82 2.07 -1.01 -1.08 116.25 124.18 3man h VAL 137 Ca -0.27 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3man h VAL 137 Cb 1.99 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3man h VAL 137 CO 0.11 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.85 3man h ALA 138 N 1.61 1.00 -0.06 1.67 0.00 -1.38 -1.19 119.26 120.90 3man h ALA 138 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3man h ALA 138 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3man h ALA 138 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3man n ALA 139 N -2.06 2.56 -0.06 0.00 0.00 -0.41 -4.55 120.51 115.98 3man n ALA 139 Ca -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 3man n ALA 139 Cb 0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3man n ALA 139 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3man h TRP 140 N 2.31 -0.34 -0.30 0.00 7.01 -1.25 0.16 115.95 123.54 3man h TRP 140 Ca 0.00 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 3man h TRP 140 Cb 0.49 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 3man h TRP 140 CO 0.03 -0.21 -0.01 0.00 -2.79 0.00 0.00 178.44 175.46 3man h ALA 141 N 1.10 0.40 -0.35 2.65 0.00 -1.83 -0.58 119.26 120.66 3man h ALA 141 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3man h ALA 141 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3man h ALA 141 CO -0.34 0.17 -0.09 0.00 0.00 0.00 0.00 179.25 178.99 3man h THR 142 N 0.32 1.28 -0.62 0.00 1.03 -1.81 -1.33 112.91 111.78 3man h THR 142 Ca 0.08 -1.16 -0.08 0.00 -0.01 0.00 0.00 66.41 65.25 3man h THR 142 Cb 0.46 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.83 3man h THR 142 CO 0.02 0.38 0.07 0.44 -0.01 0.00 0.00 175.52 176.42 3man h ASP 143 N 0.46 1.00 -0.38 0.00 3.32 -0.95 -1.32 116.42 118.56 3man h ASP 143 Ca 0.09 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3man h ASP 143 Cb 0.60 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3man h ASP 143 CO 0.04 1.03 0.08 0.74 -1.72 0.00 0.00 179.24 179.40 3man h THR 144 N 0.95 1.23 -0.84 0.35 2.02 -1.02 -1.79 112.91 113.81 3man h THR 144 Ca 0.18 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 3man h THR 144 Cb 0.47 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3man h THR 144 CO 0.02 0.28 0.44 0.28 0.37 0.00 0.00 175.52 176.90 3man h SER 145 N 0.47 1.06 -0.77 4.18 0.02 -1.16 -1.43 113.55 115.93 3man h SER 145 Ca 0.12 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3man h SER 145 Cb 0.33 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3man h SER 145 CO 0.00 0.87 0.31 0.00 -1.14 0.00 0.00 176.83 176.88 3man h ALA 146 N 1.23 1.00 -0.40 3.77 0.00 -1.10 -0.82 119.26 122.94 3man h ALA 146 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3man h ALA 146 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3man h ALA 146 CO -0.04 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.86 3man h ALA 147 N 1.16 0.53 -0.36 0.00 0.00 -0.83 -1.50 119.26 118.25 3man h ALA 147 Ca 0.26 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3man h ALA 147 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3man h ALA 147 CO -0.02 0.27 0.21 0.82 0.00 0.00 0.00 179.25 180.53 3man h ILE 148 N 0.51 1.03 -0.89 0.00 2.04 -0.95 -1.78 117.51 117.47 3man h ILE 148 Ca 0.12 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3man h ILE 148 Cb 0.41 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3man h ILE 148 CO 0.01 0.08 0.59 1.56 0.00 0.00 0.00 178.15 180.39 3man h GLN 149 N 0.43 1.16 -0.54 2.37 4.20 -0.99 -0.47 115.11 121.27 3man h GLN 149 Ca 0.15 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3man h GLN 149 Cb 0.01 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3man h GLN 149 CO -0.07 0.77 0.08 0.00 -0.67 0.00 0.00 178.83 178.94 3man h ARG 150 N 1.20 0.90 -0.47 1.46 3.08 -1.01 -0.42 114.38 119.12 3man h ARG 150 Ca 0.33 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 3man h ARG 150 Cb -0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3man h ARG 150 CO -0.08 0.88 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.52 3man h LEU 151 N 0.79 0.91 -0.74 3.04 3.38 -0.88 -2.08 115.31 119.73 3man h LEU 151 Ca 0.16 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 3man h LEU 151 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3man h LEU 151 CO 0.01 1.06 -0.33 0.03 0.09 0.00 0.00 178.44 179.31 3man h ARG 152 N 0.75 0.60 -0.02 1.13 2.47 -0.92 -1.86 114.38 116.53 3man h ARG 152 Ca 0.12 -0.27 -0.05 0.00 -1.26 0.00 0.00 59.98 58.52 3man h ARG 152 Cb 0.66 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 3man h ARG 152 CO 0.05 0.84 -0.25 0.00 0.56 0.00 0.00 179.97 181.17 3man h ALA 153 N 1.14 1.56 -0.01 0.04 0.00 -0.96 -1.63 119.26 119.40 3man h ALA 153 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3man h ALA 153 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3man h ALA 153 CO 0.07 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3man n ALA 154 N -2.49 2.65 -0.31 0.00 0.00 -0.79 -4.90 120.51 114.66 3man n ALA 154 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3man n ALA 154 Cb 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3man n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3man n GLY 155 N 1.02 0.83 3.70 0.00 0.00 -0.61 -5.06 105.19 105.07 3man n GLY 155 Ca 0.22 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3man n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3man s PHE 156 N -2.00 3.38 -1.32 1.61 0.40 -0.74 -4.90 117.98 114.41 3man s PHE 156 Ca 0.00 1.32 0.11 0.00 -0.60 0.00 0.00 56.93 57.76 3man s PHE 156 Cb 0.00 -3.39 0.07 0.00 0.51 0.00 0.00 43.02 40.21 3man s PHE 156 CO 0.00 -1.15 0.81 0.39 0.70 0.00 0.00 175.22 175.98 3man n GLU 157 N 4.35 0.94 -0.81 0.44 1.02 -1.26 -4.48 120.64 120.83 3man n GLU 157 Ca 0.09 -1.04 -0.31 0.00 -0.02 0.00 0.00 57.16 55.88 3man n GLU 157 Cb 0.47 -1.19 0.16 0.00 -0.02 0.00 0.00 31.44 30.86 3man n GLU 157 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3man s HIS 158 N -1.07 1.80 0.08 -0.32 3.76 -1.26 -4.68 115.29 113.60 3man s HIS 158 Ca 0.12 1.64 -0.30 0.00 -0.15 0.00 0.00 55.06 56.37 3man s HIS 158 Cb 0.09 -3.25 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 3man s HIS 158 CO 0.17 -2.75 1.10 0.99 -0.85 0.00 0.00 174.74 173.40 3man s THR 159 N -2.69 4.25 -0.09 1.30 2.01 -1.26 -4.93 115.64 114.24 3man s THR 159 Ca 0.66 1.71 -0.04 0.00 0.31 0.00 0.00 61.69 64.32 3man s THR 159 Cb -0.22 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3man s THR 159 CO 0.58 0.18 0.10 -0.76 -0.69 0.00 0.00 174.62 174.03 3man s LEU 160 N 0.60 4.09 -0.18 4.42 1.43 -0.27 -2.27 118.68 126.50 3man s LEU 160 Ca 0.54 0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3man s LEU 160 Cb -0.27 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3man s LEU 160 CO 0.30 0.37 -0.15 -0.69 0.23 0.00 0.00 176.35 176.42 3man s VAL 161 N -1.03 2.60 -0.08 -1.59 1.01 0.79 -0.49 120.40 121.60 3man s VAL 161 Ca 0.17 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3man s VAL 161 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3man s VAL 161 CO 0.06 0.50 -0.16 0.68 0.00 0.00 0.00 175.10 176.18 3man s VAL 162 N 1.14 2.82 0.41 2.92 -7.23 0.01 -1.62 120.40 118.85 3man s VAL 162 Ca 0.01 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 3man s VAL 162 Cb -0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 3man s VAL 162 CO -0.05 0.56 0.64 -1.81 -0.31 0.00 0.00 175.10 174.13 3man s ASP 163 N -0.20 6.16 0.58 4.85 1.11 -1.26 -0.51 116.67 127.40 3man s ASP 163 Ca -0.00 0.52 -0.05 0.00 0.18 0.00 0.00 52.55 53.20 3man s ASP 163 Cb -0.13 -1.95 0.02 0.00 1.07 0.00 0.00 42.92 41.92 3man s ASP 163 CO 0.03 -0.47 0.87 0.00 1.18 0.00 0.00 175.17 176.78 3man s ALA 164 N -2.48 3.39 1.01 5.23 0.00 -1.20 -4.74 121.76 122.97 3man s ALA 164 Ca 0.44 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 3man s ALA 164 Cb -0.10 -2.49 0.10 0.00 0.00 0.00 0.00 23.12 20.62 3man s ALA 164 CO 0.39 -0.80 0.54 -0.35 0.00 0.00 0.00 175.76 175.54 3man n PRO 165 N -2.53 -0.64 -3.50 0.00 -0.04 -1.26 -2.66 135.00 124.37 3man n PRO 165 Ca 0.05 -0.84 -0.19 0.00 -0.04 0.00 0.00 63.50 62.48 3man n PRO 165 Cb 0.58 -0.58 0.08 0.00 -0.04 0.00 0.00 33.50 33.55 3man n PRO 165 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3man n ASN 166 N -3.39 -2.75 -3.74 3.54 5.03 -0.62 -1.73 115.26 111.60 3man n ASN 166 Ca 0.07 -0.63 -0.27 0.00 0.87 0.00 0.00 54.58 54.61 3man n ASN 166 Cb 0.24 -4.98 0.04 0.00 -1.02 0.00 0.00 39.78 34.06 3man n ASN 166 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3man n TRP 167 N -4.31 -2.48 0.00 3.10 7.02 0.25 -1.81 117.44 119.20 3man n TRP 167 Ca -0.23 0.91 0.00 0.00 -1.02 0.00 0.00 57.50 57.16 3man n TRP 167 Cb 0.65 -4.35 0.00 0.00 -2.42 0.00 0.00 31.31 25.19 3man n TRP 167 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3man n GLY 168 N -1.78 2.82 0.02 6.99 0.00 -1.00 -4.87 105.19 107.37 3man n GLY 168 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3man n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3man n GLN 169 N -2.00 0.16 -3.95 1.61 6.02 -0.75 -1.23 117.38 117.24 3man n GLN 169 Ca 0.00 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.71 3man n GLN 169 Cb 0.00 -1.57 0.01 0.00 1.02 0.00 0.00 30.24 29.70 3man n GLN 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3man n ASP 170 N -1.78 -3.28 0.13 1.08 2.03 -0.71 -4.85 116.55 109.17 3man n ASP 170 Ca 0.04 -0.87 0.12 0.00 0.52 0.00 0.00 54.79 54.60 3man n ASP 170 Cb 0.39 -3.56 0.49 0.00 -0.72 0.00 0.00 41.12 37.71 3man n ASP 170 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 3man n TRP 171 N -4.52 0.82 1.09 -0.67 4.27 -1.26 -0.81 117.44 116.35 3man n TRP 171 Ca -0.06 0.31 0.14 0.00 -3.89 0.00 0.00 57.50 54.00 3man n TRP 171 Cb 0.57 -1.01 0.53 0.00 -1.36 0.00 0.00 31.31 30.04 3man n TRP 171 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 3man n THR 172 N -2.24 0.00 -2.45 -1.67 -2.24 -1.26 -4.93 114.28 99.49 3man n THR 172 Ca 0.02 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 3man n THR 172 Cb 0.25 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3man n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3man n ASN 173 N -1.41 -5.63 -0.05 3.42 3.02 0.01 -4.91 115.26 109.70 3man n ASN 173 Ca 0.08 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 3man n ASN 173 Cb 0.32 -4.64 -0.06 0.00 -0.61 0.00 0.00 39.78 34.79 3man n ASN 173 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3man h THR 174 N -0.18 1.29 -0.41 3.41 2.02 -1.92 -0.91 112.91 116.20 3man h THR 174 Ca -0.47 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 65.60 3man h THR 174 Cb 1.34 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 3man h THR 174 CO 0.54 0.29 -0.25 -0.03 0.37 0.00 0.00 175.52 176.44 3man h MET 175 N -0.01 0.90 -0.76 6.66 1.85 -1.90 -2.08 114.93 119.58 3man h MET 175 Ca 0.04 -0.42 0.05 0.00 -0.61 0.00 0.00 59.70 58.76 3man h MET 175 Cb 0.46 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.42 3man h MET 175 CO 0.01 1.07 0.46 -0.09 -0.40 0.00 0.00 176.91 177.97 3man h ARG 176 N 0.72 0.84 0.00 0.39 2.43 -1.89 0.00 114.38 116.88 3man h ARG 176 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3man h ARG 176 Cb 0.83 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3man h ARG 176 CO 0.07 0.56 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.88 3man h ASN 177 N 0.87 0.00 0.00 -3.80 2.35 -1.09 -3.37 115.58 110.54 3man h ASN 177 Ca 0.33 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3man h ASN 177 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3man h ASN 177 CO -0.15 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 176.24 3man n ASN 178 N -2.60 1.61 0.05 5.81 3.02 -0.79 -4.72 115.26 117.65 3man n ASN 178 Ca 0.04 -1.69 0.02 0.00 -0.03 0.00 0.00 54.58 52.91 3man n ASN 178 Cb 0.49 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 40.03 3man n ASN 178 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3man h ALA 179 N 0.00 1.52 -0.81 5.41 0.00 -1.16 -2.48 119.26 121.74 3man h ALA 179 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3man h ALA 179 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3man h ALA 179 CO 0.00 0.35 0.53 0.38 0.00 0.00 0.00 179.25 180.51 3man h ASP 180 N 0.39 0.90 -0.64 0.00 2.03 -1.85 0.12 116.42 117.37 3man h ASP 180 Ca 0.09 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.36 3man h ASP 180 Cb 0.25 -0.21 -0.03 0.00 -0.83 0.00 0.00 39.33 38.50 3man h ASP 180 CO 0.01 0.64 0.35 -0.61 -1.03 0.00 0.00 179.24 178.59 3man h GLN 181 N 1.06 0.89 -0.30 4.15 4.15 -1.80 -1.78 115.11 121.47 3man h GLN 181 Ca 0.31 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.49 3man h GLN 181 Cb -0.07 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.44 3man h GLN 181 CO -0.09 0.67 -0.34 0.28 -1.93 0.00 0.00 178.83 177.43 3man h VAL 182 N 0.87 1.29 -0.85 2.39 2.07 -1.18 -3.03 116.25 117.82 3man h VAL 182 Ca 0.22 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 3man h VAL 182 Cb 0.04 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3man h VAL 182 CO -0.04 0.49 0.42 0.22 0.02 0.00 0.00 177.57 178.69 3man h TYR 183 N 0.53 1.20 -0.01 1.57 3.20 -0.63 -1.22 116.97 121.61 3man h TYR 183 Ca 0.04 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3man h TYR 183 Cb 0.92 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3man h TYR 183 CO 0.07 0.86 0.01 0.00 -1.64 0.00 0.00 178.16 177.46 3man h ALA 184 N 1.26 1.80 0.00 1.82 0.00 -1.28 -2.41 119.26 120.44 3man h ALA 184 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3man h ALA 184 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3man h ALA 184 CO -0.04 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 3man n SER 185 N -4.23 0.68 -4.53 0.00 3.41 -0.46 -4.56 113.62 103.93 3man n SER 185 Ca -0.03 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 3man n SER 185 Cb 0.10 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 3man n SER 185 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3man s ASP 186 N -4.28 6.33 0.43 4.04 -1.08 -0.91 -4.73 116.67 116.48 3man s ASP 186 Ca 0.09 -0.20 0.15 0.00 -0.52 0.00 0.00 52.55 52.07 3man s ASP 186 Cb 0.12 -2.30 1.06 0.00 -1.46 0.00 0.00 42.92 40.34 3man s ASP 186 CO 0.51 -0.66 1.94 1.55 0.52 0.00 0.00 175.17 179.04 3man h PRO 187 N 8.69 0.38 0.00 4.34 0.13 -1.87 -2.02 132.00 141.65 3man h PRO 187 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3man h PRO 187 Cb 1.11 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3man h PRO 187 CO 0.85 0.25 -0.58 1.79 -0.23 0.00 0.00 178.00 180.07 3man h THR 188 N 0.39 0.00 0.00 1.56 1.35 -1.94 -3.47 112.91 110.80 3man h THR 188 Ca 0.33 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3man h THR 188 Cb 0.75 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3man h THR 188 CO -0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.78 3man n GLY 189 N 1.32 0.36 2.62 5.82 0.00 -0.76 -4.92 105.19 109.63 3man n GLY 189 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3man n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3man n ASN 190 N -0.32 7.46 -4.13 1.61 3.02 -1.26 -4.48 115.26 117.16 3man n ASN 190 Ca 0.00 -3.60 -0.26 0.00 -0.03 0.00 0.00 54.58 50.68 3man n ASN 190 Cb 0.16 -1.20 -0.16 0.00 -0.61 0.00 0.00 39.78 37.97 3man n ASN 190 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3man s THR 191 N -3.82 1.45 -0.04 3.41 2.01 -1.26 -1.11 115.64 116.27 3man s THR 191 Ca 0.41 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.75 3man s THR 191 Cb 0.19 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 3man s THR 191 CO -0.12 0.42 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.33 3man s VAL 192 N 0.16 1.75 0.18 3.82 1.01 0.35 -4.73 120.40 122.94 3man s VAL 192 Ca -0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3man s VAL 192 Cb -0.13 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 3man s VAL 192 CO 0.03 0.49 0.60 -0.36 0.00 0.00 0.00 175.10 175.87 3man s PHE 193 N -0.14 3.58 -0.09 5.22 0.08 -0.59 -0.81 117.98 125.24 3man s PHE 193 Ca -0.02 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.17 3man s PHE 193 Cb -0.12 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3man s PHE 193 CO 0.02 0.37 -0.10 0.45 -0.10 0.00 0.00 175.22 175.87 3man s SER 194 N -1.80 2.00 -0.09 1.36 0.15 0.33 -1.01 113.70 114.65 3man s SER 194 Ca 0.41 -0.30 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 3man s SER 194 Cb -0.15 -0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 3man s SER 194 CO 0.20 -0.06 0.06 -0.51 1.20 0.00 0.00 173.24 174.14 3man s ILE 195 N 1.27 4.83 -0.22 6.45 1.10 -0.62 -3.24 121.20 130.76 3man s ILE 195 Ca -0.03 -0.08 -0.06 0.00 -0.51 0.00 0.00 60.65 59.97 3man s ILE 195 Cb -0.14 -3.08 -0.03 0.00 0.15 0.00 0.00 42.46 39.37 3man s ILE 195 CO -0.03 0.59 0.03 -1.00 -2.11 0.00 0.00 174.94 172.41 3man s HIS 196 N -0.97 3.06 -0.37 3.50 3.76 -0.36 -1.35 115.29 122.56 3man s HIS 196 Ca 0.15 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.56 3man s HIS 196 Cb -0.12 -2.15 0.07 0.00 1.11 0.00 0.00 32.58 31.50 3man s HIS 196 CO 0.04 -0.29 0.14 -1.64 -0.85 0.00 0.00 174.74 172.14 3man s MET 197 N 1.25 2.35 0.00 1.40 1.00 -0.06 -3.86 119.30 121.38 3man s MET 197 Ca 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 55.69 54.25 3man s MET 197 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 31.20 3man s MET 197 CO 0.02 -0.85 0.00 0.66 0.00 0.00 0.00 175.02 174.85 3man n TYR 198 N 4.70 0.00 0.30 -0.03 4.01 -1.26 -3.06 117.16 121.82 3man n TYR 198 Ca -0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.80 3man n TYR 198 Cb 0.43 0.00 0.67 0.00 -0.31 0.00 0.00 39.34 40.12 3man n TYR 198 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3man h GLY 199 N 0.00 0.00 2.00 2.72 0.00 -1.95 -1.17 103.07 104.67 3man h GLY 199 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3man h GLY 199 CO 0.00 0.00 -0.21 -2.08 0.00 0.00 0.00 176.54 174.25 3man h VAL 200 N 0.00 0.71 -1.23 4.60 2.07 -1.94 -3.20 116.25 117.27 3man h VAL 200 Ca 0.00 -0.88 -0.66 0.00 0.82 0.00 0.00 66.70 65.98 3man h VAL 200 Cb 0.23 1.55 -0.33 0.00 -1.52 0.00 0.00 31.29 31.22 3man h VAL 200 CO 0.00 0.21 0.39 -1.22 0.02 0.00 0.00 177.57 176.97 3man n TYR 201 N -3.66 3.10 0.23 1.57 4.01 -0.44 -4.58 117.16 117.38 3man n TYR 201 Ca -0.01 -2.71 0.12 0.00 -0.16 0.00 0.00 57.90 55.14 3man n TYR 201 Cb 0.33 -1.02 0.16 0.00 -0.31 0.00 0.00 39.34 38.51 3man n TYR 201 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3man h SER 202 N 2.32 0.00 -3.17 7.72 4.64 -1.71 -2.28 113.55 121.08 3man h SER 202 Ca 0.52 -0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 61.19 3man h SER 202 Cb 0.80 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.75 3man h SER 202 CO 1.31 0.00 -0.57 -1.58 -0.87 0.00 0.00 176.83 175.12 3man s GLN 203 N -3.22 3.56 0.28 4.77 2.00 -1.26 -4.26 119.66 121.52 3man s GLN 203 Ca 0.06 -0.33 -0.01 0.00 -2.00 0.00 0.00 55.36 53.08 3man s GLN 203 Cb 0.06 -3.07 0.46 0.00 0.80 0.00 0.00 33.01 31.26 3man s GLN 203 CO 0.68 0.50 1.90 0.00 -0.50 0.00 0.00 175.29 177.87 3man h ALA 204 N 5.89 1.45 -1.00 1.58 0.00 -1.95 -1.91 119.26 123.31 3man h ALA 204 Ca -0.44 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.46 3man h ALA 204 Cb 1.19 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3man h ALA 204 CO 0.63 0.41 0.66 0.66 0.00 0.00 0.00 179.25 181.61 3man h SER 205 N 1.12 1.13 -0.39 0.00 4.64 -1.99 -0.80 113.55 117.26 3man h SER 205 Ca 0.41 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 3man h SER 205 Cb 0.17 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3man h SER 205 CO -0.16 0.80 -0.23 0.74 -0.87 0.00 0.00 176.83 177.12 3man h THR 206 N 1.33 1.28 0.35 2.95 2.02 -1.75 -2.16 112.91 116.92 3man h THR 206 Ca 0.38 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 3man h THR 206 Cb -0.10 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3man h THR 206 CO -0.10 0.46 -0.17 0.40 0.37 0.00 0.00 175.52 176.49 3man h ILE 207 N 0.66 0.67 -0.68 3.11 2.04 -1.06 -2.11 117.51 120.12 3man h ILE 207 Ca 0.08 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3man h ILE 207 Cb 0.79 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3man h ILE 207 CO 0.06 0.01 0.43 0.74 0.00 0.00 0.00 178.15 179.40 3man h THR 208 N -0.49 1.19 -0.74 -0.27 2.02 -1.16 -1.68 112.91 111.78 3man h THR 208 Ca -0.05 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3man h THR 208 Cb 0.37 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3man h THR 208 CO 0.08 0.19 0.46 -1.28 0.37 0.00 0.00 175.52 175.33 3man h SER 209 N 0.93 0.87 -0.12 4.18 0.87 -1.35 -0.93 113.55 118.00 3man h SER 209 Ca 0.25 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3man h SER 209 Cb -0.07 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 3man h SER 209 CO -0.05 0.66 -0.08 0.22 -0.53 0.00 0.00 176.83 177.05 3man h TYR 210 N 1.00 0.31 -0.48 2.24 5.03 -0.97 -2.13 116.97 121.97 3man h TYR 210 Ca 0.27 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.44 3man h TYR 210 Cb -0.06 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 3man h TYR 210 CO -0.01 0.63 0.10 -0.07 -1.32 0.00 0.00 178.16 177.49 3man h LEU 211 N -0.11 0.74 -1.18 2.82 3.38 -1.19 -2.66 115.31 117.11 3man h LEU 211 Ca 0.02 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3man h LEU 211 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3man h LEU 211 CO 0.02 0.80 -0.31 -0.33 0.09 0.00 0.00 178.44 178.71 3man h GLU 212 N 0.65 0.17 -0.53 1.13 5.08 -1.20 -2.00 114.58 117.89 3man h GLU 212 Ca 0.15 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3man h GLU 212 Cb 0.36 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3man h GLU 212 CO 0.01 0.47 0.30 1.25 -1.00 0.00 0.00 179.01 180.03 3man h HIS 213 N 0.15 0.55 -0.14 4.33 2.76 -1.02 0.71 115.15 122.50 3man h HIS 213 Ca 0.02 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 3man h HIS 213 Cb 0.63 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 3man h HIS 213 CO 0.01 0.29 -0.14 0.74 -1.30 0.00 0.00 177.93 177.52 3man h PHE 214 N 0.58 0.41 -0.53 5.26 -1.00 -1.42 -2.64 116.94 117.60 3man h PHE 214 Ca 0.23 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 3man h PHE 214 Cb 0.09 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3man h PHE 214 CO -0.08 0.74 0.29 0.28 -1.61 0.00 0.00 178.31 177.93 3man h VAL 215 N -0.04 1.18 0.00 -0.55 2.07 -1.21 -1.27 116.25 116.43 3man h VAL 215 Ca 0.02 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3man h VAL 215 Cb 0.68 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3man h VAL 215 CO 0.04 0.20 -0.30 0.78 0.02 0.00 0.00 177.57 178.30 3man h ASN 216 N 0.71 0.00 0.51 0.57 2.35 -0.89 -2.62 115.58 116.20 3man h ASN 216 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3man h ASN 216 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3man h ASN 216 CO -0.03 0.30 -0.37 0.00 -1.65 0.00 0.00 177.43 175.68 3man n ALA 217 N -2.45 3.26 -1.38 -0.83 0.00 -0.93 -4.95 120.51 113.23 3man n ALA 217 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 3man n ALA 217 Cb 0.35 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 3man n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3man n GLY 218 N 1.46 0.50 3.65 0.00 0.00 -0.61 -5.02 105.19 105.16 3man n GLY 218 Ca 0.08 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3man n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3man s LEU 219 N -0.73 4.11 0.28 0.99 1.43 -0.58 -3.84 118.68 120.35 3man s LEU 219 Ca 0.00 0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.28 3man s LEU 219 Cb 0.00 -2.53 -0.10 0.00 0.03 0.00 0.00 46.19 43.59 3man s LEU 219 CO 0.00 -0.14 1.39 -2.16 0.23 0.00 0.00 176.35 175.66 3man s PRO 220 N 1.67 4.30 -0.05 1.29 0.04 -1.25 -4.38 135.00 136.62 3man s PRO 220 Ca 0.19 2.27 -0.09 0.00 0.04 0.00 0.00 61.00 63.41 3man s PRO 220 Cb -0.15 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.31 3man s PRO 220 CO 0.09 -0.33 0.21 -1.17 0.04 0.00 0.00 177.00 175.83 3man s LEU 221 N -0.99 1.22 0.13 -3.56 2.96 -1.26 -1.54 118.68 115.64 3man s LEU 221 Ca 0.55 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 3man s LEU 221 Cb -0.41 0.81 -0.04 0.00 0.50 0.00 0.00 46.19 47.05 3man s LEU 221 CO 0.48 -0.21 -0.12 0.27 -1.32 0.00 0.00 176.35 175.45 3man s ILE 222 N -0.51 1.19 -0.78 6.68 -4.36 -0.18 -4.28 121.20 118.96 3man s ILE 222 Ca -0.06 -1.81 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 3man s ILE 222 Cb -0.04 -1.59 0.16 0.00 1.25 0.00 0.00 42.46 42.24 3man s ILE 222 CO 0.01 -0.56 0.82 -0.63 0.24 0.00 0.00 174.94 174.82 3man s ILE 223 N -2.60 5.18 0.11 8.37 1.01 -0.24 -1.59 121.20 131.44 3man s ILE 223 Ca 0.11 -1.84 0.25 0.00 0.00 0.00 0.00 60.65 59.17 3man s ILE 223 Cb -0.02 -4.54 0.25 0.00 0.01 0.00 0.00 42.46 38.16 3man s ILE 223 CO 0.02 -1.16 1.83 1.23 0.00 0.00 0.00 174.94 176.86 3man h GLY 224 N 9.02 0.00 -4.98 6.18 0.00 -1.47 0.14 103.07 111.95 3man h GLY 224 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3man h GLY 224 CO 0.94 0.00 -0.26 -0.54 0.00 0.00 0.00 176.54 176.69 3man s GLU 225 N -3.63 0.53 0.11 4.80 2.02 -1.18 -4.49 118.70 116.87 3man s GLU 225 Ca 0.01 0.30 -0.20 0.00 0.02 0.00 0.00 54.97 55.09 3man s GLU 225 Cb 0.10 0.25 0.05 0.00 0.10 0.00 0.00 34.13 34.63 3man s GLU 225 CO 0.63 -0.10 0.50 -0.59 0.02 0.00 0.00 175.26 175.71 3man s PHE 226 N -0.32 -0.37 0.00 1.61 -0.71 -1.20 -0.88 117.98 116.11 3man s PHE 226 Ca -0.05 0.19 0.00 0.00 -1.04 0.00 0.00 56.93 56.04 3man s PHE 226 Cb -0.03 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 3man s PHE 226 CO 0.02 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 173.58 3man n GLY 227 N -0.10 7.32 2.48 1.99 0.00 -1.17 -2.29 105.19 113.42 3man n GLY 227 Ca -0.17 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.72 3man n GLY 227 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3man n HIS 228 N 0.00 2.21 -3.16 1.61 1.44 -1.26 -4.46 115.22 111.60 3man n HIS 228 Ca 0.00 -2.58 -0.45 0.00 -2.01 0.00 0.00 57.72 52.68 3man n HIS 228 Cb 0.00 -0.25 -0.01 0.00 0.12 0.00 0.00 29.99 29.85 3man n HIS 228 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3man s ASN 234 N -3.52 7.06 0.55 4.39 6.03 -1.26 -4.95 114.94 123.24 3man s ASN 234 Ca 0.39 -3.05 -0.20 0.00 -1.03 0.00 0.00 52.86 48.97 3man s ASN 234 Cb 0.40 -2.29 -0.05 0.00 -3.03 0.00 0.00 41.25 36.28 3man s ASN 234 CO -0.04 -0.58 1.24 -2.16 -2.03 0.00 0.00 177.10 173.53 3man s PRO 235 N 0.39 3.19 -0.96 3.55 0.04 -1.24 -4.16 135.00 135.80 3man s PRO 235 Ca 0.32 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.09 3man s PRO 235 Cb -0.07 -2.12 0.10 0.00 0.04 0.00 0.00 34.50 32.45 3man s PRO 235 CO -0.06 -1.06 1.24 0.34 0.04 0.00 0.00 177.00 177.51 3man s ASP 236 N -1.36 6.59 0.43 6.66 -1.08 -0.86 -4.85 116.67 122.19 3man s ASP 236 Ca 0.73 -1.85 0.18 0.00 -0.52 0.00 0.00 52.55 51.08 3man s ASP 236 Cb -0.33 -2.46 0.97 0.00 -1.46 0.00 0.00 42.92 39.65 3man s ASP 236 CO 0.37 -1.21 1.91 1.05 0.52 0.00 0.00 175.17 177.82 3man h GLU 237 N 9.14 0.00 -0.66 4.34 9.09 -1.90 -1.40 114.58 133.18 3man h GLU 237 Ca 0.17 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.53 3man h GLU 237 Cb 1.02 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.09 3man h GLU 237 CO 1.22 0.27 0.20 -0.44 0.05 0.00 0.00 179.01 180.30 3man h ASP 238 N 0.00 0.97 0.13 3.06 3.32 -1.94 -0.99 116.42 120.98 3man h ASP 238 Ca -0.00 -0.21 -0.24 0.00 0.02 0.00 0.00 57.03 56.59 3man h ASP 238 Cb 0.54 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.85 3man h ASP 238 CO 0.03 0.93 -0.97 0.74 -1.72 0.00 0.00 179.24 178.25 3man h THR 239 N 0.97 1.33 -0.26 0.35 2.02 -1.87 -2.22 112.91 113.22 3man h THR 239 Ca 0.21 -2.30 0.02 0.00 0.77 0.00 0.00 66.41 65.11 3man h THR 239 Cb 0.31 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 3man h THR 239 CO -0.00 0.70 0.11 0.40 0.37 0.00 0.00 175.52 177.09 3man h ILE 240 N 0.34 0.96 -0.37 3.11 2.04 -1.08 0.83 117.51 123.33 3man h ILE 240 Ca -0.10 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 3man h ILE 240 Cb 1.61 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3man h ILE 240 CO 0.18 0.04 -0.32 0.24 0.00 0.00 0.00 178.15 178.30 3man h MET 241 N 0.23 0.83 -0.49 2.37 2.86 -1.20 -0.97 114.93 118.56 3man h MET 241 Ca 0.11 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 3man h MET 241 Cb 0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3man h MET 241 CO -0.10 1.03 0.12 0.00 1.06 0.00 0.00 176.91 179.02 3man h ALA 242 N 0.94 0.65 -0.17 6.32 0.00 -1.19 -2.01 119.26 123.79 3man h ALA 242 Ca 0.07 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3man h ALA 242 Cb 0.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3man h ALA 242 CO 0.08 0.34 -0.55 0.93 0.00 0.00 0.00 179.25 180.05 3man h GLU 243 N 0.67 0.52 -0.55 0.00 4.39 -0.74 -0.29 114.58 118.58 3man h GLU 243 Ca 0.15 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 3man h GLU 243 Cb 0.33 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3man h GLU 243 CO 0.00 0.93 0.24 0.00 -1.16 0.00 0.00 179.01 179.02 3man h ALA 244 N 1.00 1.39 -0.17 3.43 0.00 -1.05 -0.82 119.26 123.04 3man h ALA 244 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3man h ALA 244 Cb 1.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3man h ALA 244 CO 0.10 0.47 -0.31 0.93 0.00 0.00 0.00 179.25 180.45 3man h GLU 245 N 0.78 0.51 -0.61 0.00 4.39 -1.05 0.14 114.58 118.73 3man h GLU 245 Ca 0.19 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 3man h GLU 245 Cb 0.12 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3man h GLU 245 CO -0.02 0.92 0.36 -0.09 -1.16 0.00 0.00 179.01 179.03 3man h ARG 246 N 0.15 0.83 -0.01 2.33 2.43 -0.74 -2.98 114.38 116.39 3man h ARG 246 Ca 0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3man h ARG 246 Cb 0.89 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3man h ARG 246 CO 0.07 0.60 -0.23 1.28 -1.51 0.00 0.00 179.97 180.18 3man n LEU 247 N -4.60 1.25 -3.35 3.80 4.77 -0.34 -4.97 117.00 113.55 3man n LEU 247 Ca 0.04 -0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 55.49 3man n LEU 247 Cb 0.06 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3man n LEU 247 CO 0.36 0.23 0.06 0.29 -1.33 0.00 0.00 177.39 177.00 3man n LYS 248 N -0.40 -4.17 -4.49 3.23 5.02 -0.48 -5.02 118.16 111.85 3man n LYS 248 Ca 0.13 0.84 -0.32 0.00 -2.02 0.00 0.00 58.31 56.95 3man n LYS 248 Cb 0.37 -5.79 -0.11 0.00 -0.02 0.00 0.00 35.03 29.48 3man n LYS 248 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3man s LEU 249 N -5.87 3.03 0.60 -0.35 1.43 -0.09 -5.00 118.68 112.44 3man s LEU 249 Ca 0.25 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 3man s LEU 249 Cb -0.04 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3man s LEU 249 CO 0.74 0.27 1.09 -0.83 0.23 0.00 0.00 176.35 177.85 3man s GLY 250 N -1.47 2.28 -0.01 -3.19 0.00 -1.26 -4.65 107.32 99.02 3man s GLY 250 Ca 0.17 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 3man s GLY 250 CO 0.07 0.90 0.19 -2.52 0.00 0.00 0.00 173.10 171.75 3man s TYR 251 N -2.22 -0.04 -0.08 1.90 -0.85 -0.26 -1.08 117.35 114.72 3man s TYR 251 Ca 0.67 0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 57.22 3man s TYR 251 Cb -0.19 0.00 0.03 0.00 0.38 0.00 0.00 41.96 42.18 3man s TYR 251 CO 0.35 -0.31 0.03 0.42 -1.52 0.00 0.00 175.55 174.52 3man s ILE 252 N -1.31 0.19 0.51 -3.49 1.01 0.48 -1.83 121.20 116.76 3man s ILE 252 Ca -0.14 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 3man s ILE 252 Cb -0.07 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 3man s ILE 252 CO 0.02 0.15 0.89 -0.83 0.00 0.00 0.00 174.94 175.17 3man s GLY 253 N 2.04 1.77 -0.15 6.18 0.00 -0.39 -3.13 107.32 113.64 3man s GLY 253 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3man s GLY 253 CO -0.05 0.04 -0.15 0.86 0.00 0.00 0.00 173.10 173.80 3man s TRP 254 N -2.75 2.78 0.29 1.90 -0.11 -0.97 -1.61 118.94 118.48 3man s TRP 254 Ca 0.53 -0.97 -0.07 0.00 1.22 0.00 0.00 56.10 56.80 3man s TRP 254 Cb -0.10 -1.88 -0.00 0.00 -1.50 0.00 0.00 33.47 29.98 3man s TRP 254 CO 0.41 -0.43 0.45 -1.54 -4.62 0.00 0.00 176.95 171.22 3man s SER 255 N 0.75 0.37 0.10 5.86 1.04 -0.59 -4.75 113.70 116.47 3man s SER 255 Ca -0.06 -1.23 -0.28 0.00 0.48 0.00 0.00 55.95 54.86 3man s SER 255 Cb -0.15 0.61 -0.12 0.00 0.10 0.00 0.00 66.02 66.45 3man s SER 255 CO 0.01 -1.19 1.65 -0.25 0.98 0.00 0.00 173.24 174.44 3man h TRP 256 N 2.23 -0.64 -2.52 5.02 2.91 -1.35 -1.63 115.95 119.96 3man h TRP 256 Ca -0.28 0.00 0.18 0.00 1.13 0.00 0.00 58.89 59.92 3man h TRP 256 Cb 1.25 0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 30.11 3man h TRP 256 CO 0.89 -0.36 0.62 0.45 -1.03 0.00 0.00 178.44 179.01 3man s SER 257 N -4.75 0.01 -0.28 2.65 0.15 -1.26 -1.38 113.70 108.84 3man s SER 257 Ca -0.16 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.85 3man s SER 257 Cb 0.06 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 3man s SER 257 CO 0.64 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3man n GLY 258 N -0.73 0.59 3.76 9.45 0.00 -1.26 -4.72 105.19 112.27 3man n GLY 258 Ca -0.02 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3man n GLY 258 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3man s ASN 259 N -2.68 5.64 0.00 1.61 0.01 -1.26 -5.03 114.94 113.24 3man s ASN 259 Ca 0.00 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 54.80 3man s ASN 259 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3man s ASN 259 CO 0.00 -1.31 0.00 0.61 -1.51 0.00 0.00 177.10 174.89 3man n GLY 260 N 0.63 5.85 2.69 0.66 0.00 -1.26 -4.49 105.19 109.28 3man n GLY 260 Ca 0.09 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 3man n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3man n GLY 261 N 2.17 -0.50 2.02 -0.02 0.00 -1.26 -2.30 105.19 105.29 3man n GLY 261 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 3man n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3man n GLY 262 N -1.09 0.43 0.87 -0.02 0.00 -1.26 -4.93 105.19 99.20 3man n GLY 262 Ca -0.15 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.04 3man n GLY 262 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3man n VAL 263 N -2.98 1.63 -0.17 1.61 0.31 -0.97 -4.82 118.33 112.93 3man n VAL 263 Ca -0.00 -2.67 0.14 0.00 -0.01 0.00 0.00 64.34 61.79 3man n VAL 263 Cb 0.02 0.08 0.48 0.00 -0.91 0.00 0.00 33.84 33.51 3man n VAL 263 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3man h GLU 264 N 1.03 0.46 0.00 5.55 3.07 -1.79 -1.21 114.58 121.69 3man h GLU 264 Ca -0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3man h GLU 264 Cb 1.25 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3man h GLU 264 CO 0.04 0.30 0.00 2.48 -1.40 0.00 0.00 179.01 180.43 3man n TYR 265 N -4.49 0.00 1.35 4.33 0.18 -1.26 -1.69 117.16 115.58 3man n TYR 265 Ca 0.14 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.04 3man n TYR 265 Cb 0.49 -0.48 0.45 0.00 -0.38 0.00 0.00 39.34 39.41 3man n TYR 265 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3man n LEU 266 N -1.48 1.57 -4.71 -3.48 4.77 -0.46 -4.86 117.00 108.36 3man n LEU 266 Ca 0.01 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 3man n LEU 266 Cb 0.05 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3man n LEU 266 CO 0.04 0.30 1.02 -1.81 -1.33 0.00 0.00 177.39 175.61 3man s ASP 267 N -1.76 6.90 0.07 -1.43 1.01 -0.68 -1.55 116.67 119.22 3man s ASP 267 Ca 0.35 2.22 -0.00 0.00 0.71 0.00 0.00 52.55 55.82 3man s ASP 267 Cb 0.19 -2.58 -0.26 0.00 1.01 0.00 0.00 42.92 41.28 3man s ASP 267 CO 0.29 -0.61 1.10 0.24 0.21 0.00 0.00 175.17 176.41 3man h MET 268 N 6.91 0.19 -5.46 8.23 2.86 -0.40 -3.40 114.93 123.86 3man h MET 268 Ca -0.42 -0.32 -0.43 0.00 -2.06 0.00 0.00 59.70 56.48 3man h MET 268 Cb 1.21 0.12 -0.19 0.00 0.06 0.00 0.00 31.60 32.79 3man h MET 268 CO 0.85 1.11 -0.77 0.14 1.06 0.00 0.00 176.91 179.31 3man s VAL 269 N -2.66 1.32 -0.11 -2.22 -7.23 -0.48 -1.25 120.40 107.77 3man s VAL 269 Ca -0.04 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.30 3man s VAL 269 Cb 0.08 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 3man s VAL 269 CO 0.86 -0.35 0.60 -0.31 -0.31 0.00 0.00 175.10 175.59 3man s TYR 270 N -1.90 3.52 -1.55 2.82 2.02 -0.38 -4.31 117.35 117.56 3man s TYR 270 Ca 0.07 1.06 -0.13 0.00 -0.37 0.00 0.00 57.07 57.69 3man s TYR 270 Cb -0.06 -2.71 0.09 0.00 -0.40 0.00 0.00 41.96 38.88 3man s TYR 270 CO 0.03 0.07 0.87 0.09 -1.57 0.00 0.00 175.55 175.04 3man n ASN 271 N 3.96 -3.75 -1.99 2.29 3.02 -1.26 -1.70 115.26 115.83 3man n ASN 271 Ca -0.03 -0.86 -0.19 0.00 -0.03 0.00 0.00 54.58 53.46 3man n ASN 271 Cb 0.51 -3.53 -0.04 0.00 -0.61 0.00 0.00 39.78 36.11 3man n ASN 271 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3man n PHE 272 N -4.55 -0.62 -3.18 3.10 3.01 -1.26 -4.95 117.46 109.01 3man n PHE 272 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 3man n PHE 272 Cb 0.54 -3.47 -0.07 0.00 -0.01 0.00 0.00 39.48 36.47 3man n PHE 272 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3man s ASP 273 N -2.31 6.24 0.57 4.37 -1.08 -0.69 -4.94 116.67 118.84 3man s ASP 273 Ca 0.00 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 51.59 3man s ASP 273 Cb 0.00 -2.28 1.51 0.00 -1.46 0.00 0.00 42.92 40.68 3man s ASP 273 CO 0.00 -0.81 1.97 1.23 0.52 0.00 0.00 175.17 178.08 3man h GLY 274 N 9.58 0.00 -1.32 2.66 0.00 -1.92 -1.40 103.07 110.67 3man h GLY 274 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3man h GLY 274 CO 0.91 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.67 3man n ASP 275 N -3.91 2.32 -3.80 0.19 8.00 -1.26 -4.65 116.55 113.45 3man n ASP 275 Ca 0.07 -1.79 -0.31 0.00 0.71 0.00 0.00 54.79 53.47 3man n ASP 275 Cb 0.58 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.50 3man n ASP 275 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3man n ASN 276 N 0.77 3.86 -4.76 -2.24 4.05 -0.53 -5.08 115.26 111.34 3man n ASN 276 Ca 0.17 -3.29 -0.40 0.00 0.45 0.00 0.00 54.58 51.51 3man n ASN 276 Cb 0.45 -0.84 -0.05 0.00 1.23 0.00 0.00 39.78 40.57 3man n ASN 276 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3man s LEU 277 N -1.91 4.58 0.85 1.20 1.43 -1.26 -1.25 118.68 122.31 3man s LEU 277 Ca 0.31 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.42 3man s LEU 277 Cb 0.02 -3.65 0.14 0.00 0.03 0.00 0.00 46.19 42.74 3man s LEU 277 CO -0.08 -0.03 1.19 -0.94 0.23 0.00 0.00 176.35 176.72 3man s SER 278 N -1.04 3.91 0.37 2.29 1.04 -0.38 -4.83 113.70 115.07 3man s SER 278 Ca 0.44 0.33 0.05 0.00 0.48 0.00 0.00 55.95 57.25 3man s SER 278 Cb -0.29 -0.64 0.74 0.00 0.10 0.00 0.00 66.02 65.94 3man s SER 278 CO 0.37 -2.22 1.99 -0.65 0.98 0.00 0.00 173.24 173.71 3man h PRO 279 N -1.16 0.71 -0.22 4.02 0.11 -1.90 -0.60 132.00 132.96 3man h PRO 279 Ca -0.44 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3man h PRO 279 Cb 1.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3man h PRO 279 CO 0.49 0.47 -0.07 2.35 -0.21 0.00 0.00 178.00 181.03 3man h TRP 280 N 0.73 0.49 -0.70 0.65 -0.00 -1.87 -0.86 115.95 114.40 3man h TRP 280 Ca 0.26 -0.11 0.03 0.00 -0.00 0.00 0.00 58.89 59.07 3man h TRP 280 Cb 0.11 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 29.10 3man h TRP 280 CO -0.00 0.69 0.43 0.78 -0.00 0.00 0.00 178.44 180.34 3man h GLY 281 N 0.15 1.00 1.02 2.65 0.00 -1.39 -0.36 103.07 106.15 3man h GLY 281 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3man h GLY 281 CO 0.03 0.27 0.53 0.83 0.00 0.00 0.00 176.54 178.20 3man h GLU 282 N 0.84 1.20 0.07 4.80 3.07 -1.01 -2.06 114.58 121.49 3man h GLU 282 Ca 0.28 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3man h GLU 282 Cb 0.03 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3man h GLU 282 CO -0.11 0.84 -0.04 -0.09 -1.40 0.00 0.00 179.01 178.21 3man h ARG 283 N 1.22 -0.09 -0.06 2.33 9.65 -0.62 0.94 114.38 127.75 3man h ARG 283 Ca 0.32 0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.05 3man h ARG 283 Cb -0.05 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3man h ARG 283 CO -0.06 0.15 -0.65 0.97 2.80 0.00 0.00 179.97 183.17 3man h ILE 284 N -0.33 1.41 0.13 1.20 2.10 -0.99 -2.41 117.51 118.62 3man h ILE 284 Ca -0.01 -2.09 -0.34 0.00 1.08 0.00 0.00 64.86 63.50 3man h ILE 284 Cb 0.28 2.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 3man h ILE 284 CO 0.02 0.62 -1.77 -0.26 -1.08 0.00 0.00 178.15 175.67 3man h PHE 285 N 0.16 0.49 -0.00 2.19 0.04 -1.41 0.51 116.94 118.93 3man h PHE 285 Ca -0.01 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.40 3man h PHE 285 Cb 1.18 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.31 3man h PHE 285 CO 0.02 1.70 -0.28 0.66 -0.60 0.00 0.00 178.31 179.81 3man n TYR 286 N -3.67 0.00 -2.18 -0.55 4.01 0.29 -0.90 117.16 114.16 3man n TYR 286 Ca -0.29 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.17 3man n TYR 286 Cb 1.00 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 40.20 3man n TYR 286 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3man s GLY 287 N -1.51 1.79 0.20 2.72 0.00 -0.91 -4.90 107.32 104.71 3man s GLY 287 Ca 0.04 -1.51 -0.32 0.00 0.00 0.00 0.00 44.72 42.93 3man s GLY 287 CO 0.27 -0.76 1.41 -1.05 0.00 0.00 0.00 173.10 172.97 3man n PRO 288 N -3.50 1.88 -1.33 2.90 -0.02 -1.26 -1.18 135.00 132.48 3man n PRO 288 Ca 0.17 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3man n PRO 288 Cb 0.60 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3man n PRO 288 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3man n ASN 289 N 2.47 -4.97 -4.35 2.55 3.02 -1.26 -4.86 115.26 107.87 3man n ASN 289 Ca 0.14 0.28 -0.30 0.00 -0.03 0.00 0.00 54.58 54.67 3man n ASN 289 Cb 0.29 -3.47 0.16 0.00 -0.61 0.00 0.00 39.78 36.15 3man n ASN 289 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3man s GLY 290 N -2.61 1.71 0.09 7.41 0.00 -0.33 -4.85 107.32 108.74 3man s GLY 290 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 44.72 43.50 3man s GLY 290 CO 0.00 -0.32 1.66 -2.22 0.00 0.00 0.00 173.10 172.22 3man h ILE 291 N -1.53 1.11 -0.45 0.90 2.04 -0.79 -2.25 117.51 116.54 3man h ILE 291 Ca -0.45 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3man h ILE 291 Cb 1.27 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3man h ILE 291 CO 0.46 0.10 0.28 0.00 0.00 0.00 0.00 178.15 179.00 3man h ALA 292 N 0.94 1.65 0.00 1.87 0.00 -1.16 0.39 119.26 122.95 3man h ALA 292 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3man h ALA 292 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3man h ALA 292 CO -0.01 0.31 -0.81 -1.13 0.00 0.00 0.00 179.25 177.61 3man n SER 293 N -4.46 0.70 -0.00 0.00 3.41 -1.17 -4.49 113.62 107.61 3man n SER 293 Ca 0.04 0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 3man n SER 293 Cb 0.07 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3man n SER 293 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3man n THR 294 N -2.18 0.03 -2.45 6.66 -2.24 -0.86 -5.01 114.28 108.23 3man n THR 294 Ca 0.02 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 3man n THR 294 Cb 0.46 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 3man n THR 294 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3man s ALA 295 N -2.24 3.29 -0.07 6.98 0.00 0.09 -5.05 121.76 124.76 3man s ALA 295 Ca -0.01 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.87 3man s ALA 295 Cb 0.02 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3man s ALA 295 CO 0.15 -0.25 -0.24 0.21 0.00 0.00 0.00 175.76 175.64 3man s LYS 296 N -1.87 2.61 0.51 0.00 2.20 -1.26 -4.98 119.74 116.95 3man s LYS 296 Ca 0.50 -0.86 -0.23 0.00 -0.36 0.00 0.00 55.97 55.02 3man s LYS 296 Cb -0.29 -2.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.83 3man s LYS 296 CO 0.37 0.30 1.37 -2.00 -0.36 0.00 0.00 175.35 175.04 3man s GLU 297 N 0.02 3.36 0.39 4.03 2.12 -1.26 -4.80 118.70 122.56 3man s GLU 297 Ca -0.08 2.27 -0.27 0.00 0.36 0.00 0.00 54.97 57.24 3man s GLU 297 Cb -0.15 -2.40 -0.10 0.00 0.26 0.00 0.00 34.13 31.74 3man s GLU 297 CO 0.05 -1.03 1.45 0.00 -0.54 0.00 0.00 175.26 175.19 3man s ALA 298 N -1.28 3.48 -0.57 6.30 0.00 -1.26 -4.90 121.76 123.53 3man s ALA 298 Ca 0.67 1.50 0.25 0.00 0.00 0.00 0.00 51.96 54.39 3man s ALA 298 Cb -0.41 -3.59 0.87 0.00 0.00 0.00 0.00 23.12 20.00 3man s ALA 298 CO 0.50 -1.03 1.75 -0.39 0.00 0.00 0.00 175.76 176.59 3man h VAL 299 N 2.81 0.00 -0.02 0.00 -1.51 -1.95 -3.10 116.25 112.48 3man h VAL 299 Ca -0.51 -0.43 0.01 0.00 -1.23 0.00 0.00 66.70 64.54 3man h VAL 299 Cb 1.24 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3man h VAL 299 CO 0.63 0.00 0.02 -0.29 -1.23 0.00 0.00 177.57 176.71 3man h ILE 300 N 0.00 0.51 0.00 7.19 6.09 -1.94 -1.42 117.51 127.94 3man h ILE 300 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3man h ILE 300 Cb 0.61 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.88 3man h ILE 300 CO 0.00 0.00 -0.20 0.49 -3.07 0.00 0.00 178.15 175.37 3man n PHE 301 N -3.83 0.58 1.19 2.19 3.72 -1.17 -5.18 117.46 114.95 3man n PHE 301 Ca -0.03 0.17 0.13 0.00 -0.05 0.00 0.00 57.45 57.67 3man n PHE 301 Cb 0.11 -0.73 0.26 0.00 -0.94 0.00 0.00 39.48 38.18 3man n PHE 301 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12