#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crr s THR 2 N 0.00 2.26 -0.63 3.17 2.01 -1.24 -4.94 115.64 116.27 1crr s THR 2 Ca 0.00 -2.07 -0.03 0.00 0.31 0.00 0.00 61.69 59.90 1crr s THR 2 Cb 0.00 -2.09 0.16 0.00 0.01 0.00 0.00 72.50 70.58 1crr s THR 2 CO 0.00 -0.20 0.44 -1.61 -0.69 0.00 0.00 174.62 172.56 1crr s GLU 3 N -2.82 2.58 0.40 4.92 2.02 -1.26 -0.40 118.70 124.14 1crr s GLU 3 Ca 0.21 -2.51 -0.11 0.00 0.02 0.00 0.00 54.97 52.58 1crr s GLU 3 Cb -0.07 -3.75 -0.07 0.00 0.10 0.00 0.00 34.13 30.34 1crr s GLU 3 CO 0.10 -1.17 0.77 0.71 0.02 0.00 0.00 175.26 175.68 1crr s TYR 4 N -0.03 3.46 -0.39 1.61 2.02 -1.00 -4.95 117.35 118.07 1crr s TYR 4 Ca 0.17 1.06 -0.04 0.00 -0.37 0.00 0.00 57.07 57.89 1crr s TYR 4 Cb -0.20 -2.45 0.10 0.00 -0.40 0.00 0.00 41.96 39.00 1crr s TYR 4 CO -0.04 -0.09 0.18 0.15 -1.57 0.00 0.00 175.55 174.18 1crr s LYS 5 N -3.78 2.16 0.33 -0.62 1.02 -1.26 -2.23 119.74 115.36 1crr s LYS 5 Ca 0.51 -1.67 -0.27 0.00 0.02 0.00 0.00 55.97 54.56 1crr s LYS 5 Cb -0.10 -3.54 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 1crr s LYS 5 CO 0.30 -0.98 1.06 -0.51 -0.92 0.00 0.00 175.35 174.30 1crr s LEU 6 N 1.20 4.37 -0.52 3.17 1.43 -0.82 -2.27 118.68 125.24 1crr s LEU 6 Ca 0.05 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.30 1crr s LEU 6 Cb -0.22 -3.89 0.14 0.00 0.03 0.00 0.00 46.19 42.24 1crr s LEU 6 CO -0.03 -0.27 0.30 -0.69 0.23 0.00 0.00 176.35 175.90 1crr s VAL 7 N -1.41 2.11 0.22 -1.59 1.01 0.15 -2.60 120.40 118.29 1crr s VAL 7 Ca 0.50 -3.21 -0.23 0.00 0.00 0.00 0.00 61.98 59.04 1crr s VAL 7 Cb -0.26 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 1crr s VAL 7 CO 0.33 -0.90 0.79 -0.69 0.00 0.00 0.00 175.10 174.64 1crr s VAL 8 N -0.29 4.41 -0.01 2.92 1.01 -0.94 -2.02 120.40 125.49 1crr s VAL 8 Ca 0.20 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 1crr s VAL 8 Cb -0.19 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1crr s VAL 8 CO -0.04 0.32 0.48 -0.69 0.00 0.00 0.00 175.10 175.17 1crr s VAL 9 N -1.39 0.03 0.00 2.92 1.01 -1.13 -4.69 120.40 117.15 1crr s VAL 9 Ca 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1crr s VAL 9 Cb -0.20 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1crr s VAL 9 CO 0.24 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1crr n GLY 10 N 0.88 0.02 3.67 4.51 0.00 -1.26 -0.70 105.19 112.31 1crr n GLY 10 Ca -0.20 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1crr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crr s ALA 11 N -2.00 1.34 -1.27 4.61 0.00 -1.26 -4.87 121.76 118.31 1crr s ALA 11 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1crr s ALA 11 Cb 0.00 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.88 1crr s ALA 11 CO 0.00 -2.65 1.66 0.20 0.00 0.00 0.00 175.76 174.97 1crr s GLY 12 N -2.95 1.78 0.00 0.00 0.00 -1.26 -3.17 107.32 101.72 1crr s GLY 12 Ca 0.65 -2.98 0.00 0.00 0.00 0.00 0.00 44.72 42.39 1crr s GLY 12 CO 0.58 2.59 0.00 0.61 0.00 0.00 0.00 173.10 176.88 1crr n GLY 13 N 5.21 0.43 0.40 0.20 0.00 -1.26 -4.98 105.19 105.18 1crr n GLY 13 Ca 0.46 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.69 1crr n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1crr h VAL 14 N 0.00 0.44 0.00 1.61 -1.51 -1.91 -3.44 116.25 111.44 1crr h VAL 14 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1crr h VAL 14 Cb 0.00 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1crr h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1crr n GLY 15 N -1.55 1.51 0.23 5.19 0.00 -1.26 -4.38 105.19 104.94 1crr n GLY 15 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1crr n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1crr h LYS 16 N 0.00 -0.56 0.28 1.61 3.64 -1.85 -2.40 116.57 117.28 1crr h LYS 16 Ca 0.00 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1crr h LYS 16 Cb 0.00 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1crr h LYS 16 CO 0.00 -0.37 -0.20 0.66 -2.27 0.00 0.00 179.45 177.26 1crr h SER 17 N -0.68 -0.52 -1.08 4.20 4.64 -1.90 -2.19 113.55 116.02 1crr h SER 17 Ca -0.06 0.04 0.29 0.00 -0.47 0.00 0.00 61.79 61.59 1crr h SER 17 Cb 0.45 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.63 1crr h SER 17 CO 0.10 -0.31 0.73 0.00 -0.87 0.00 0.00 176.83 176.47 1crr h ALA 18 N 0.20 2.61 -0.24 5.18 0.00 -1.90 0.49 119.26 125.60 1crr h ALA 18 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1crr h ALA 18 Cb 0.42 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1crr h ALA 18 CO 0.00 -0.98 0.01 -0.07 0.00 0.00 0.00 179.25 178.22 1crr h LEU 19 N 0.21 0.41 0.00 0.00 3.38 -0.86 -1.60 115.31 116.85 1crr h LEU 19 Ca 0.57 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1crr h LEU 19 Cb 1.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1crr h LEU 19 CO -0.17 0.60 0.00 0.41 0.09 0.00 0.00 178.44 179.38 1crr n THR 20 N -4.66 0.00 -0.52 0.22 -1.04 0.16 -2.59 114.28 105.85 1crr n THR 20 Ca -0.04 1.35 0.44 0.00 -2.04 0.00 0.00 64.05 63.77 1crr n THR 20 Cb 0.23 -2.32 0.78 0.00 -1.82 0.00 0.00 70.33 67.19 1crr n THR 20 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1crr h ILE 21 N 0.00 0.19 0.34 12.58 5.03 -1.40 0.20 117.51 134.46 1crr h ILE 21 Ca 0.00 -0.01 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 1crr h ILE 21 Cb 0.00 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 33.96 1crr h ILE 21 CO 0.00 0.00 -0.16 -0.61 -0.68 0.00 0.00 178.15 176.70 1crr h GLN 22 N 0.02 -0.44 0.00 2.37 4.15 -1.02 -2.29 115.11 117.89 1crr h GLN 22 Ca 0.77 0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.22 1crr h GLN 22 Cb 3.02 0.10 0.00 0.00 0.21 0.00 0.00 27.48 30.82 1crr h GLN 22 CO -0.05 -0.26 0.00 -0.11 -1.93 0.00 0.00 178.83 176.48 1crr n LEU 23 N -5.27 0.00 -0.02 -2.39 0.00 0.66 -0.63 117.00 109.35 1crr n LEU 23 Ca -0.10 0.32 -0.01 0.00 0.00 0.00 0.00 56.01 56.22 1crr n LEU 23 Cb 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 43.42 43.31 1crr n LEU 23 CO 0.35 -0.06 -0.07 0.40 0.00 0.00 0.00 177.39 178.01 1crr h ILE 24 N 0.00 0.00 -0.01 1.96 1.08 -0.90 -3.40 117.51 116.25 1crr h ILE 24 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1crr h ILE 24 Cb 0.26 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.01 1crr h ILE 24 CO 0.00 0.00 -0.21 0.00 -0.69 0.00 0.00 178.15 177.25 1crr n GLN 25 N -2.82 0.70 -2.59 2.37 1.13 -0.91 -4.99 117.38 110.28 1crr n GLN 25 Ca -0.01 -0.35 -0.03 0.00 -1.94 0.00 0.00 57.00 54.67 1crr n GLN 25 Cb 0.05 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1crr n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1crr n ASN 26 N -0.84 -6.41 0.00 1.08 5.15 0.20 -5.04 115.26 109.40 1crr n ASN 26 Ca 0.12 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1crr n ASN 26 Cb 0.32 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.30 1crr n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1crr n HIS 27 N -1.00 0.00 -4.28 1.20 1.44 -1.11 -5.05 115.22 106.42 1crr n HIS 27 Ca 0.04 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.53 1crr n HIS 27 Cb 0.43 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.37 1crr n HIS 27 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1crr s PHE 28 N -2.12 0.99 -0.19 -1.40 5.36 -1.26 -4.38 117.98 114.98 1crr s PHE 28 Ca 0.00 -0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 55.58 1crr s PHE 28 Cb 0.00 -0.81 -0.03 0.00 -0.34 0.00 0.00 43.02 41.84 1crr s PHE 28 CO 0.00 -0.23 0.02 0.14 -1.46 0.00 0.00 175.22 173.69 1crr s VAL 29 N 0.88 4.26 0.25 3.12 -7.23 -1.26 -4.97 120.40 115.45 1crr s VAL 29 Ca -0.11 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 59.92 1crr s VAL 29 Cb -0.15 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 1crr s VAL 29 CO 0.01 0.44 1.57 0.44 -0.31 0.00 0.00 175.10 177.25 1crr h ASP 30 N 7.15 0.08 -0.10 4.85 5.19 -2.00 -3.45 116.42 128.14 1crr h ASP 30 Ca -0.35 -0.05 0.28 0.00 -0.62 0.00 0.00 57.03 56.28 1crr h ASP 30 Cb 1.18 -0.02 -0.24 0.00 0.18 0.00 0.00 39.33 40.42 1crr h ASP 30 CO 0.64 0.71 0.40 -1.61 -3.12 0.00 0.00 179.24 176.26 1crr s GLU 31 N -3.58 0.04 -0.51 3.56 2.02 -1.26 -5.03 118.70 113.93 1crr s GLU 31 Ca -0.02 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.05 1crr s GLU 31 Cb 0.12 0.05 0.42 0.00 0.10 0.00 0.00 34.13 34.82 1crr s GLU 31 CO 0.78 -0.03 1.97 2.48 0.02 0.00 0.00 175.26 180.48 1crr n TYR 32 N 5.06 2.65 -1.66 1.61 4.11 -1.26 -4.97 117.16 122.70 1crr n TYR 32 Ca -0.08 -2.44 0.00 0.00 -0.00 0.00 0.00 57.90 55.38 1crr n TYR 32 Cb 0.55 -1.19 0.00 0.00 -0.00 0.00 0.00 39.34 38.70 1crr n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1crr n ASP 33 N -0.59 -7.44 -2.13 9.48 8.00 -1.26 -4.69 116.55 117.92 1crr n ASP 33 Ca 0.52 1.06 -0.15 0.00 0.71 0.00 0.00 54.79 56.92 1crr n ASP 33 Cb 0.83 -4.06 -0.15 0.00 -0.02 0.00 0.00 41.12 37.72 1crr n ASP 33 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1crr n PRO 34 N 1.27 2.13 -1.00 -0.24 -0.04 -1.26 -3.94 135.00 131.92 1crr n PRO 34 Ca 0.00 -1.29 -0.02 0.00 -0.04 0.00 0.00 63.50 62.15 1crr n PRO 34 Cb 0.00 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1crr n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1crr n THR 35 N 2.23 0.00 -3.88 0.52 -2.24 -1.26 -4.46 114.28 105.19 1crr n THR 35 Ca 0.45 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.64 1crr n THR 35 Cb 0.83 0.54 -0.13 0.00 -2.10 0.00 0.00 70.33 69.48 1crr n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1crr s ILE 36 N 0.00 2.89 -0.36 2.28 1.09 -1.25 -5.04 121.20 120.80 1crr s ILE 36 Ca 0.09 -2.49 -0.18 0.00 -1.10 0.00 0.00 60.65 56.97 1crr s ILE 36 Cb 0.10 -3.01 -0.00 0.00 -1.06 0.00 0.00 42.46 38.49 1crr s ILE 36 CO -0.04 -0.70 0.49 -0.70 -0.10 0.00 0.00 174.94 173.89 1crr s GLU 37 N 0.66 3.55 -0.28 2.79 2.56 -1.26 -4.73 118.70 121.99 1crr s GLU 37 Ca 0.12 -0.26 -0.17 0.00 0.00 0.00 0.00 54.97 54.66 1crr s GLU 37 Cb -0.22 -3.83 0.08 0.00 2.00 0.00 0.00 34.13 32.17 1crr s GLU 37 CO -0.05 -0.67 0.72 0.34 -0.56 0.00 0.00 175.26 175.04 1crr s ASP 38 N 1.78 -0.89 -0.16 -1.70 -1.08 -1.26 -5.07 116.67 108.28 1crr s ASP 38 Ca 0.17 1.45 -0.29 0.00 -0.52 0.00 0.00 52.55 53.37 1crr s ASP 38 Cb -0.16 1.38 -0.03 0.00 -1.46 0.00 0.00 42.92 42.65 1crr s ASP 38 CO 0.13 -0.23 1.57 -0.94 0.52 0.00 0.00 175.17 176.22 1crr s SER 39 N 1.48 6.56 0.40 -0.34 1.04 -1.26 -4.69 113.70 116.90 1crr s SER 39 Ca -0.09 1.81 -0.09 0.00 0.48 0.00 0.00 55.95 58.06 1crr s SER 39 Cb -0.05 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 1crr s SER 39 CO -0.17 -1.08 0.75 -0.31 0.98 0.00 0.00 173.24 173.41 1crr s TYR 40 N 4.57 3.49 0.22 5.02 1.51 -0.79 -4.94 117.35 126.42 1crr s TYR 40 Ca 0.69 0.96 0.01 0.00 -1.01 0.00 0.00 57.07 57.73 1crr s TYR 40 Cb -0.27 -2.38 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1crr s TYR 40 CO 0.27 -0.10 0.06 1.03 -1.11 0.00 0.00 175.55 175.70 1crr s ARG 41 N -3.95 1.27 -0.28 -0.62 0.52 -1.26 -0.85 118.95 113.77 1crr s ARG 41 Ca 0.50 -1.66 -0.21 0.00 -0.52 0.00 0.00 55.73 53.84 1crr s ARG 41 Cb -0.10 -0.20 0.13 0.00 0.52 0.00 0.00 34.95 35.29 1crr s ARG 41 CO 0.33 -0.24 0.99 0.21 0.02 0.00 0.00 175.30 176.61 1crr s LYS 42 N -4.00 0.46 -0.43 3.54 2.47 -1.24 -4.93 119.74 115.61 1crr s LYS 42 Ca 0.33 0.65 -0.07 0.00 -1.56 0.00 0.00 55.97 55.32 1crr s LYS 42 Cb 0.07 0.17 0.10 0.00 -1.46 0.00 0.00 37.83 36.71 1crr s LYS 42 CO 0.10 -0.07 0.26 -1.14 0.16 0.00 0.00 175.35 174.65 1crr s GLN 43 N 0.75 2.40 0.15 4.03 0.74 -1.26 -2.52 119.66 123.95 1crr s GLN 43 Ca -0.02 -1.63 0.02 0.00 0.05 0.00 0.00 55.36 53.77 1crr s GLN 43 Cb -0.04 -3.74 -0.01 0.00 1.10 0.00 0.00 33.01 30.32 1crr s GLN 43 CO -0.11 -1.04 0.07 1.33 -0.55 0.00 0.00 175.29 174.99 1crr n VAL 44 N 4.82 0.00 -4.11 1.34 0.24 -1.26 -5.03 118.33 114.33 1crr n VAL 44 Ca -0.08 -0.90 -0.33 0.00 -2.04 0.00 0.00 64.34 60.99 1crr n VAL 44 Cb 0.42 0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 32.98 1crr n VAL 44 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1crr s VAL 45 N -2.21 1.98 -0.00 3.34 1.01 -1.26 -2.92 120.40 120.33 1crr s VAL 45 Ca 0.09 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1crr s VAL 45 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 1crr s VAL 45 CO 0.07 0.53 0.78 0.40 0.00 0.00 0.00 175.10 176.87 1crr h ILE 46 N 5.96 0.00 -1.15 2.22 1.08 -1.88 -3.45 117.51 120.29 1crr h ILE 46 Ca -0.45 -0.20 -0.07 0.00 -0.39 0.00 0.00 64.86 63.75 1crr h ILE 46 Cb 1.14 0.00 -0.22 0.00 -3.07 0.00 0.00 36.82 34.67 1crr h ILE 46 CO 0.62 0.00 -0.46 -1.81 -0.69 0.00 0.00 178.15 175.81 1crr s ASP 47 N -3.52 -1.14 -1.51 1.72 1.11 -1.26 -4.91 116.67 107.16 1crr s ASP 47 Ca -0.06 -0.54 -0.00 0.00 0.18 0.00 0.00 52.55 52.12 1crr s ASP 47 Cb 0.01 1.78 0.00 0.00 1.07 0.00 0.00 42.92 45.78 1crr s ASP 47 CO 0.18 -0.23 0.06 0.61 1.18 0.00 0.00 175.17 176.97 1crr n GLY 48 N 4.78 -0.37 3.29 0.21 0.00 -1.26 -4.95 105.19 106.89 1crr n GLY 48 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1crr n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1crr s GLU 49 N -4.97 0.36 0.48 1.61 2.12 -1.26 -5.16 118.70 111.87 1crr s GLU 49 Ca 0.03 0.76 -0.17 0.00 0.36 0.00 0.00 54.97 55.95 1crr s GLU 49 Cb -0.01 0.44 -0.08 0.00 0.26 0.00 0.00 34.13 34.73 1crr s GLU 49 CO 0.04 -0.27 0.95 0.99 -0.54 0.00 0.00 175.26 176.43 1crr s THR 50 N 2.75 4.53 -0.29 -1.70 2.01 -1.26 -2.73 115.64 118.95 1crr s THR 50 Ca 0.03 1.22 -0.16 0.00 0.31 0.00 0.00 61.69 63.09 1crr s THR 50 Cb -0.10 -3.69 0.15 0.00 0.01 0.00 0.00 72.50 68.87 1crr s THR 50 CO -0.17 -0.57 0.99 0.00 -0.69 0.00 0.00 174.62 174.18 1crr s LEU 52 N 1.60 3.73 -0.38 0.00 2.96 0.47 -4.29 118.68 122.76 1crr s LEU 52 Ca -0.07 2.53 0.01 0.00 -0.22 0.00 0.00 54.13 56.38 1crr s LEU 52 Cb -0.04 -4.48 0.12 0.00 0.50 0.00 0.00 46.19 42.29 1crr s LEU 52 CO -0.15 -1.62 0.19 -0.76 -1.32 0.00 0.00 176.35 172.69 1crr s LEU 53 N -3.89 2.32 -0.80 -0.68 1.43 -1.05 -2.39 118.68 113.63 1crr s LEU 53 Ca 0.76 -2.23 -0.25 0.00 -1.03 0.00 0.00 54.13 51.38 1crr s LEU 53 Cb -0.34 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 1crr s LEU 53 CO 0.38 -0.32 2.03 -0.62 0.23 0.00 0.00 176.35 178.05 1crr s ASP 54 N 0.88 4.92 -0.26 2.29 -1.08 -0.95 -3.66 116.67 118.81 1crr s ASP 54 Ca 0.15 -0.24 -0.29 0.00 -0.52 0.00 0.00 52.55 51.65 1crr s ASP 54 Cb -0.22 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.70 1crr s ASP 54 CO -0.08 -2.87 1.04 -0.63 0.52 0.00 0.00 175.17 173.15 1crr s ILE 55 N 10.79 4.64 -0.84 4.11 1.01 -0.03 -1.94 121.20 138.95 1crr s ILE 55 Ca 0.75 1.91 -0.15 0.00 0.00 0.00 0.00 60.65 63.16 1crr s ILE 55 Cb -0.10 -4.33 0.21 0.00 0.01 0.00 0.00 42.46 38.25 1crr s ILE 55 CO 0.07 -0.27 0.82 -0.22 0.00 0.00 0.00 174.94 175.34 1crr s LEU 56 N 3.31 6.52 0.24 2.97 2.96 -1.07 -1.89 118.68 131.72 1crr s LEU 56 Ca 0.44 -2.60 0.24 0.00 -0.22 0.00 0.00 54.13 51.99 1crr s LEU 56 Cb -0.14 -2.24 0.41 0.00 0.50 0.00 0.00 46.19 44.72 1crr s LEU 56 CO 0.09 -0.64 1.47 -0.78 -1.32 0.00 0.00 176.35 175.17 1crr h ASP 57 N 7.93 0.00 -0.49 3.68 3.58 -1.84 -2.50 116.42 126.78 1crr h ASP 57 Ca 0.11 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.51 1crr h ASP 57 Cb 1.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1crr h ASP 57 CO 0.80 0.03 -0.01 0.35 -2.88 0.00 0.00 179.24 177.53 1crr n THR 58 N -2.51 0.00 -3.42 2.25 -2.24 -1.26 -4.77 114.28 102.32 1crr n THR 58 Ca 0.03 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1crr n THR 58 Cb 0.48 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1crr n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1crr n ALA 59 N -0.07 -0.57 -1.93 6.98 0.00 -1.26 -4.84 120.51 118.82 1crr n ALA 59 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 1crr n ALA 59 Cb 0.02 0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 1crr n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1crr n GLY 60 N -0.22 5.15 3.73 0.00 0.00 -1.26 -4.97 105.19 107.62 1crr n GLY 60 Ca -0.03 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1crr n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1crr s GLN 61 N -2.47 4.57 0.00 1.61 0.74 -1.26 -4.86 119.66 117.98 1crr s GLN 61 Ca 0.53 1.26 0.00 0.00 0.05 0.00 0.00 55.36 57.19 1crr s GLN 61 Cb 0.30 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1crr s GLN 61 CO -0.21 0.14 0.00 -1.91 -0.55 0.00 0.00 175.29 172.77 1crr n GLU 62 N 3.22 2.00 -2.37 1.67 2.13 -1.26 -4.70 120.64 121.34 1crr n GLU 62 Ca 0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 1crr n GLU 62 Cb 0.50 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.23 1crr n GLU 62 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1crr n GLU 63 N -0.33 -0.94 0.00 5.31 1.02 -1.26 -4.22 120.64 120.22 1crr n GLU 63 Ca 0.00 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1crr n GLU 63 Cb 0.00 -3.76 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 1crr n GLU 63 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1crr n TYR 64 N -1.92 0.00 -3.12 -0.32 4.19 -1.26 -4.80 117.16 109.93 1crr n TYR 64 Ca -0.02 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.07 1crr n TYR 64 Cb 0.53 0.00 0.06 0.00 0.49 0.00 0.00 39.34 40.42 1crr n TYR 64 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1crr n SER 65 N 4.09 -6.57 -0.14 2.98 7.64 -1.26 -4.91 113.62 115.44 1crr n SER 65 Ca 0.00 -0.57 0.13 0.00 1.01 0.00 0.00 58.87 59.44 1crr n SER 65 Cb 0.00 -4.97 0.46 0.00 -1.01 0.00 0.00 64.21 58.69 1crr n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1crr n ALA 66 N -2.91 2.99 0.25 -0.43 0.00 -1.26 -3.89 120.51 115.26 1crr n ALA 66 Ca -0.06 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.16 1crr n ALA 66 Cb 0.60 -1.23 0.66 0.00 0.00 0.00 0.00 19.45 19.48 1crr n ALA 66 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1crr h MET 67 N 0.70 0.00 0.23 0.00 4.05 -1.99 -2.66 114.93 115.26 1crr h MET 67 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1crr h MET 67 Cb 0.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1crr h MET 67 CO 0.00 0.13 -0.11 -0.09 0.23 0.00 0.00 176.91 177.07 1crr h ARG 68 N 0.00 -0.30 -0.20 0.39 2.43 -1.97 -1.70 114.38 113.04 1crr h ARG 68 Ca -0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1crr h ARG 68 Cb 0.29 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1crr h ARG 68 CO 0.02 -0.06 0.10 0.22 -1.51 0.00 0.00 179.97 178.74 1crr h ASP 69 N -0.50 0.23 0.04 -3.80 1.82 -1.77 -0.73 116.42 111.71 1crr h ASP 69 Ca -0.03 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.51 1crr h ASP 69 Cb 0.37 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1crr h ASP 69 CO 0.05 0.19 -0.28 -0.61 -1.61 0.00 0.00 179.24 176.98 1crr h GLN 70 N 0.27 0.38 0.00 0.28 -0.00 -1.14 -1.84 115.11 113.06 1crr h GLN 70 Ca 0.07 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1crr h GLN 70 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.47 1crr h GLN 70 CO -0.01 0.63 0.00 0.66 0.00 0.00 0.00 178.83 180.11 1crr n TYR 71 N -4.11 0.90 0.19 3.99 4.01 -0.31 -2.30 117.16 119.53 1crr n TYR 71 Ca -0.01 0.30 0.05 0.00 -0.16 0.00 0.00 57.90 58.09 1crr n TYR 71 Cb 0.41 -0.99 0.35 0.00 -0.31 0.00 0.00 39.34 38.79 1crr n TYR 71 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1crr h MET 72 N 0.00 0.00 0.01 -0.72 2.86 -0.95 -0.32 114.93 115.81 1crr h MET 72 Ca 0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 1crr h MET 72 Cb 0.57 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1crr h MET 72 CO 0.00 0.38 -1.30 -0.09 1.06 0.00 0.00 176.91 176.95 1crr h ARG 73 N 0.00 0.02 0.15 1.72 2.43 -1.49 -3.41 114.38 113.80 1crr h ARG 73 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1crr h ARG 73 Cb 0.87 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1crr h ARG 73 CO 0.05 1.02 -0.07 1.79 -1.51 0.00 0.00 179.97 181.25 1crr h THR 74 N -0.92 1.00 -2.17 0.20 1.35 -1.52 -3.46 112.91 107.39 1crr h THR 74 Ca -0.35 -0.97 -0.34 0.00 -0.55 0.00 0.00 66.41 64.20 1crr h THR 74 Cb 1.36 1.56 0.19 0.00 -1.73 0.00 0.00 68.15 69.53 1crr h THR 74 CO -0.19 0.22 -0.68 0.61 -0.25 0.00 0.00 175.52 175.23 1crr n GLY 75 N 0.18 -2.62 1.97 5.82 0.00 -0.13 -5.00 105.19 105.41 1crr n GLY 75 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1crr n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1crr n GLU 76 N -2.19 0.00 -2.34 1.61 1.02 -0.96 -4.92 120.64 112.86 1crr n GLU 76 Ca 0.04 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.83 1crr n GLU 76 Cb 0.50 -0.02 -0.01 0.00 -0.02 0.00 0.00 31.44 31.90 1crr n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1crr s GLY 77 N -4.93 2.61 -0.22 0.62 0.00 -1.03 -4.20 107.32 100.17 1crr s GLY 77 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.48 1crr s GLY 77 CO 0.00 1.13 -0.01 -1.36 0.00 0.00 0.00 173.10 172.86 1crr s PHE 78 N -1.81 1.74 -1.11 1.90 0.40 -1.12 -0.68 117.98 117.30 1crr s PHE 78 Ca 0.71 -1.33 -0.08 0.00 -0.60 0.00 0.00 56.93 55.63 1crr s PHE 78 Cb -0.22 -1.32 0.28 0.00 0.51 0.00 0.00 43.02 42.27 1crr s PHE 78 CO 0.25 -0.70 1.18 -0.11 0.70 0.00 0.00 175.22 176.54 1crr n LEU 79 N 4.85 5.66 -4.57 -0.37 7.94 -0.86 -1.23 117.00 128.42 1crr n LEU 79 Ca -0.10 -5.07 -0.33 0.00 -1.11 0.00 0.00 56.01 49.40 1crr n LEU 79 Cb 0.45 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 42.93 1crr n LEU 79 CO 0.15 1.42 1.53 0.00 -1.11 0.00 0.00 177.39 179.38 1crr n VAL 81 N 7.42 3.12 -3.44 0.00 0.31 0.12 -2.11 118.33 123.74 1crr n VAL 81 Ca 0.42 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 1crr n VAL 81 Cb 0.47 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.78 1crr n VAL 81 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1crr s PHE 82 N -1.28 -0.55 -0.09 3.52 -0.12 0.21 -4.24 117.98 115.43 1crr s PHE 82 Ca 0.67 0.59 -0.30 0.00 -0.05 0.00 0.00 56.93 57.84 1crr s PHE 82 Cb -0.47 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1crr s PHE 82 CO 0.54 -0.64 1.52 0.00 -0.05 0.00 0.00 175.22 176.59 1crr s ALA 83 N 2.44 3.63 -0.16 1.99 0.00 -1.26 -1.35 121.76 127.06 1crr s ALA 83 Ca 0.09 0.78 0.29 0.00 0.00 0.00 0.00 51.96 53.11 1crr s ALA 83 Cb -0.15 -3.70 0.89 0.00 0.00 0.00 0.00 23.12 20.16 1crr s ALA 83 CO -0.14 -1.32 1.81 -0.84 0.00 0.00 0.00 175.76 175.28 1crr h ILE 84 N 5.55 0.00 -0.99 0.00 3.07 -1.65 -3.02 117.51 120.46 1crr h ILE 84 Ca -0.35 -0.73 -0.59 0.00 1.55 0.00 0.00 64.86 64.74 1crr h ILE 84 Cb 1.15 1.73 -0.30 0.00 -0.27 0.00 0.00 36.82 39.13 1crr h ILE 84 CO 0.96 0.00 0.74 -3.20 -1.05 0.00 0.00 178.15 175.60 1crr n ASN 85 N -3.08 5.66 0.00 2.16 2.85 -1.26 -2.52 115.26 119.07 1crr n ASN 85 Ca 0.02 -3.70 0.00 0.00 -0.11 0.00 0.00 54.58 50.79 1crr n ASN 85 Cb 0.41 -0.90 0.00 0.00 1.24 0.00 0.00 39.78 40.53 1crr n ASN 85 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1crr n ASN 86 N -1.03 0.24 0.00 1.20 2.85 -1.14 -4.97 115.26 112.40 1crr n ASN 86 Ca 0.61 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 1crr n ASN 86 Cb 1.17 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.19 1crr n ASN 86 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1crr n THR 87 N -2.49 0.00 0.24 -0.44 -1.04 -1.21 -4.64 114.28 104.70 1crr n THR 87 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1crr n THR 87 Cb 0.15 0.00 0.87 0.00 -1.82 0.00 0.00 70.33 69.53 1crr n THR 87 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1crr h LYS 88 N 0.00 0.00 -0.25 -2.82 1.63 -1.96 -0.52 116.57 112.65 1crr h LYS 88 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1crr h LYS 88 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1crr h LYS 88 CO 0.00 0.00 0.07 0.77 -3.45 0.00 0.00 179.45 176.84 1crr h SER 89 N 0.00 0.37 -0.41 4.20 0.02 -1.82 -1.37 113.55 114.54 1crr h SER 89 Ca 0.05 -0.22 0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1crr h SER 89 Cb 0.30 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 1crr h SER 89 CO -0.00 0.49 0.08 0.15 -1.14 0.00 0.00 176.83 176.40 1crr h PHE 90 N 0.23 0.12 0.00 3.45 3.57 -1.35 0.98 116.94 123.94 1crr h PHE 90 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1crr h PHE 90 Cb 0.26 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1crr h PHE 90 CO 0.01 0.00 -0.18 0.93 -2.23 0.00 0.00 178.31 176.84 1crr h GLU 91 N 0.20 0.00 0.00 1.11 4.39 -1.39 -1.81 114.58 117.08 1crr h GLU 91 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1crr h GLU 91 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1crr h GLU 91 CO -0.27 0.18 0.00 0.22 -1.16 0.00 0.00 179.01 177.98 1crr h ASP 92 N 0.00 0.00 0.04 1.42 1.82 0.28 -3.30 116.42 116.68 1crr h ASP 92 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1crr h ASP 92 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1crr h ASP 92 CO 0.02 0.00 -0.02 0.40 -1.61 0.00 0.00 179.24 178.03 1crr h ILE 93 N 0.00 0.59 0.00 2.25 1.08 -0.19 -1.96 117.51 119.28 1crr h ILE 93 Ca 0.00 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 1crr h ILE 93 Cb 0.92 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1crr h ILE 93 CO 0.00 0.19 0.28 -0.74 -0.69 0.00 0.00 178.15 177.19 1crr h HIS 94 N -0.99 0.00 0.00 1.37 2.76 -1.66 -1.05 115.15 115.57 1crr h HIS 94 Ca -0.01 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 1crr h HIS 94 Cb 0.36 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1crr h HIS 94 CO 0.09 0.00 -1.83 1.04 -1.30 0.00 0.00 177.93 175.92 1crr n GLN 95 N -2.80 1.77 0.00 5.26 6.02 -1.24 -4.51 117.38 121.89 1crr n GLN 95 Ca -0.02 -0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.07 1crr n GLN 95 Cb 0.33 -1.32 0.15 0.00 1.02 0.00 0.00 30.24 30.42 1crr n GLN 95 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1crr n TYR 96 N -2.41 0.00 -0.79 1.08 4.11 -0.74 -3.94 117.16 114.47 1crr n TYR 96 Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.80 1crr n TYR 96 Cb 0.84 -0.02 0.30 0.00 -0.00 0.00 0.00 39.34 40.47 1crr n TYR 96 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1crr n ARG 97 N 0.30 3.57 -0.06 -3.48 1.85 -0.43 -4.29 116.66 114.12 1crr n ARG 97 Ca 0.12 -2.83 -0.08 0.00 -1.00 0.00 0.00 57.85 54.06 1crr n ARG 97 Cb 0.47 -1.89 -0.05 0.00 -1.05 0.00 0.00 32.46 29.94 1crr n ARG 97 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1crr n GLU 98 N 0.23 0.49 0.31 2.89 4.07 -1.25 -4.40 120.64 122.98 1crr n GLU 98 Ca 0.23 0.06 0.19 0.00 -0.06 0.00 0.00 57.16 57.58 1crr n GLU 98 Cb 0.91 -1.23 1.02 0.00 -0.06 0.00 0.00 31.44 32.08 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1crr h GLN 99 N 0.00 0.00 -0.66 5.31 4.15 -1.75 -0.47 115.11 121.69 1crr h GLN 99 Ca -0.26 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.11 1crr h GLN 99 Cb 1.41 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.07 1crr h GLN 99 CO -0.04 0.02 0.21 0.82 -1.93 0.00 0.00 178.83 177.91 1crr h ILE 100 N 0.00 1.25 0.00 2.39 2.04 -1.77 0.37 117.51 121.80 1crr h ILE 100 Ca -0.00 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 1crr h ILE 100 Cb 0.13 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1crr h ILE 100 CO 0.00 0.33 -0.20 0.11 0.00 0.00 0.00 178.15 178.39 1crr h LYS 101 N 0.96 0.00 -0.40 2.37 1.57 -1.33 -2.24 116.57 117.50 1crr h LYS 101 Ca 0.21 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1crr h LYS 101 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1crr h LYS 101 CO -0.01 0.20 -0.23 -0.09 -0.57 0.00 0.00 179.45 178.76 1crr h ARG 102 N 0.00 0.80 0.23 3.15 2.43 -0.66 0.21 114.38 120.54 1crr h ARG 102 Ca -0.00 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1crr h ARG 102 Cb 0.41 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1crr h ARG 102 CO 0.03 0.95 -0.11 0.28 -1.51 0.00 0.00 179.97 179.61 1crr h VAL 103 N 0.70 0.00 0.00 0.20 2.07 -0.68 -3.11 116.25 115.42 1crr h VAL 103 Ca 0.09 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1crr h VAL 103 Cb 0.75 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1crr h VAL 103 CO 0.06 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.76 1crr h LYS 104 N -0.48 0.00 -5.58 1.57 1.79 -1.62 -3.46 116.57 108.79 1crr h LYS 104 Ca -0.03 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.10 1crr h LYS 104 Cb 0.23 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 31.04 1crr h LYS 104 CO 0.05 0.00 -0.72 -3.47 -1.08 0.00 0.00 179.45 174.23 1crr n ASP 105 N -2.34 -3.27 -3.74 0.86 2.03 0.67 -4.99 116.55 105.77 1crr n ASP 105 Ca 0.00 -0.58 -0.06 0.00 0.52 0.00 0.00 54.79 54.67 1crr n ASP 105 Cb 0.15 -4.95 -0.02 0.00 -0.72 0.00 0.00 41.12 35.58 1crr n ASP 105 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1crr s SER 106 N -4.02 -0.27 -0.54 1.67 0.01 -0.88 -5.02 113.70 104.65 1crr s SER 106 Ca 0.17 -0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.09 1crr s SER 106 Cb -0.07 0.59 0.26 0.00 0.21 0.00 0.00 66.02 67.01 1crr s SER 106 CO 0.71 -1.07 0.68 -0.90 0.41 0.00 0.00 173.24 173.07 1crr n ASP 107 N -0.44 2.45 -2.72 2.44 5.75 -1.26 -4.54 116.55 118.23 1crr n ASP 107 Ca -0.07 -3.18 -0.08 0.00 -0.01 0.00 0.00 54.79 51.45 1crr n ASP 107 Cb 0.61 -0.65 0.10 0.00 -1.03 0.00 0.00 41.12 40.14 1crr n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1crr n ASP 108 N 0.94 -2.17 -4.99 -1.12 -0.08 -1.26 -5.14 116.55 102.73 1crr n ASP 108 Ca 0.27 -3.24 -0.19 0.00 -1.51 0.00 0.00 54.79 50.12 1crr n ASP 108 Cb 0.46 1.62 -0.00 0.00 2.34 0.00 0.00 41.12 45.53 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1crr s VAL 109 N 0.24 3.96 -1.44 5.18 1.01 -1.26 -4.98 120.40 123.11 1crr s VAL 109 Ca 0.22 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1crr s VAL 109 Cb 0.32 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 33.39 1crr s VAL 109 CO -0.07 -0.14 2.39 -0.81 0.00 0.00 0.00 175.10 176.47 1crr n PRO 110 N -1.64 3.63 -2.00 2.72 -0.05 -1.26 -4.96 135.00 131.43 1crr n PRO 110 Ca 0.01 -2.87 -0.34 0.00 -0.05 0.00 0.00 63.50 60.24 1crr n PRO 110 Cb 0.58 -2.93 0.03 0.00 -0.05 0.00 0.00 33.50 31.13 1crr n PRO 110 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 175.50 173.81 1crr s MET 111 N 1.38 3.03 -0.27 0.54 -1.94 -1.26 -2.81 119.30 117.97 1crr s MET 111 Ca 0.53 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 56.10 1crr s MET 111 Cb 0.15 -1.96 0.16 0.00 2.01 0.00 0.00 34.83 35.19 1crr s MET 111 CO -0.06 -1.11 0.44 0.08 -0.01 0.00 0.00 175.02 174.37 1crr s VAL 112 N -1.94 -0.71 -0.55 -6.03 1.01 -0.37 -4.27 120.40 107.54 1crr s VAL 112 Ca 0.72 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 1crr s VAL 112 Cb -0.24 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1crr s VAL 112 CO 0.34 -0.16 1.03 -0.22 0.00 0.00 0.00 175.10 176.10 1crr s LEU 113 N 2.62 3.84 0.16 3.92 2.96 -0.99 -1.82 118.68 129.37 1crr s LEU 113 Ca 0.12 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1crr s LEU 113 Cb -0.14 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1crr s LEU 113 CO -0.23 -1.29 0.28 -0.69 -1.32 0.00 0.00 176.35 173.10 1crr s VAL 114 N 4.29 5.27 -0.19 1.68 1.01 -0.90 -2.61 120.40 128.95 1crr s VAL 114 Ca 0.36 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1crr s VAL 114 Cb -0.10 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1crr s VAL 114 CO 0.23 -0.11 -0.04 -0.83 0.00 0.00 0.00 175.10 174.35 1crr s GLY 115 N -3.28 1.02 0.68 4.51 0.00 -0.34 -0.61 107.32 109.30 1crr s GLY 115 Ca 0.34 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 44.00 1crr s GLY 115 CO 0.28 1.02 1.00 0.21 0.00 0.00 0.00 173.10 175.62 1crr s ASN 116 N 1.59 5.07 -0.35 1.64 3.84 -0.46 -0.37 114.94 125.90 1crr s ASN 116 Ca -0.02 0.62 -0.01 0.00 0.21 0.00 0.00 52.86 53.66 1crr s ASN 116 Cb -0.17 -1.37 0.00 0.00 -0.55 0.00 0.00 41.25 39.16 1crr s ASN 116 CO -0.07 -1.45 0.30 1.17 -2.79 0.00 0.00 177.10 174.26 1crr n LYS 117 N -2.87 -2.01 0.00 0.43 3.00 -0.79 -2.16 118.16 113.75 1crr n LYS 117 Ca 0.07 0.24 0.09 0.00 -0.00 0.00 0.00 58.31 58.71 1crr n LYS 117 Cb 0.59 -3.45 -0.10 0.00 0.00 0.00 0.00 35.03 32.08 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1crr n ASP 119 N -1.27 7.84 -3.63 0.00 5.75 -1.26 -4.86 116.55 119.12 1crr n ASP 119 Ca 0.04 -3.05 -0.13 0.00 -0.01 0.00 0.00 54.79 51.65 1crr n ASP 119 Cb 0.32 -1.37 -0.07 0.00 -1.03 0.00 0.00 41.12 38.97 1crr n ASP 119 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1crr s LEU 120 N -1.75 -0.65 0.31 -2.12 2.34 -1.26 -5.03 118.68 110.52 1crr s LEU 120 Ca 0.57 1.22 -0.00 0.00 0.06 0.00 0.00 54.13 55.98 1crr s LEU 120 Cb 0.22 2.29 0.50 0.00 -0.56 0.00 0.00 46.19 48.63 1crr s LEU 120 CO -0.11 -0.24 1.93 0.00 -1.06 0.00 0.00 176.35 176.88 1crr h ALA 121 N 4.62 1.39 -2.17 1.48 0.00 -1.98 -3.40 119.26 119.20 1crr h ALA 121 Ca -0.28 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 53.96 1crr h ALA 121 Cb 1.16 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1crr h ALA 121 CO 0.09 0.50 1.35 0.00 0.00 0.00 0.00 179.25 181.19 1crr s ALA 122 N -5.60 3.17 -0.40 0.00 0.00 -1.26 -4.93 121.76 112.74 1crr s ALA 122 Ca -0.10 1.03 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1crr s ALA 122 Cb 0.17 -3.95 0.13 0.00 0.00 0.00 0.00 23.12 19.47 1crr s ALA 122 CO 0.79 -2.16 0.21 0.50 0.00 0.00 0.00 175.76 175.10 1crr s ARG 123 N 5.35 1.04 0.16 0.00 3.52 -1.26 -4.78 118.95 122.98 1crr s ARG 123 Ca 0.93 -1.72 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 1crr s ARG 123 Cb -0.37 -2.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 1crr s ARG 123 CO 0.38 -1.15 1.50 1.79 -0.81 0.00 0.00 175.30 177.01 1crr h THR 124 N 5.38 1.28 -3.43 4.11 1.35 -1.92 -3.39 112.91 116.29 1crr h THR 124 Ca -0.01 -1.58 -0.63 0.00 -0.55 0.00 0.00 66.41 63.64 1crr h THR 124 Cb 0.95 1.44 -0.13 0.00 -1.73 0.00 0.00 68.15 68.68 1crr h THR 124 CO 0.43 0.52 0.41 -0.69 -0.25 0.00 0.00 175.52 175.94 1crr s VAL 125 N -4.33 4.57 0.41 6.82 1.01 -1.05 -5.04 120.40 122.79 1crr s VAL 125 Ca -0.10 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1crr s VAL 125 Cb 0.11 -4.40 0.11 0.00 0.00 0.00 0.00 36.38 32.19 1crr s VAL 125 CO 0.87 -0.88 0.30 -1.84 0.00 0.00 0.00 175.10 173.55 1crr n GLU 126 N 6.95 -2.28 -1.31 2.72 0.28 -1.26 -4.91 120.64 120.82 1crr n GLU 126 Ca 0.01 -0.49 -0.27 0.00 -0.16 0.00 0.00 57.16 56.26 1crr n GLU 126 Cb 0.48 -0.54 0.12 0.00 1.43 0.00 0.00 31.44 32.93 1crr n GLU 126 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1crr n SER 127 N -3.72 5.56 0.03 -1.84 2.88 -1.26 -4.41 113.62 110.86 1crr n SER 127 Ca 0.04 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.85 1crr n SER 127 Cb 0.18 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1crr n SER 127 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1crr n ARG 128 N -0.99 0.00 0.07 -1.46 0.63 -1.26 -4.54 116.66 109.11 1crr n ARG 128 Ca 0.56 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.54 1crr n ARG 128 Cb 1.04 -0.39 0.46 0.00 0.45 0.00 0.00 32.46 34.03 1crr n ARG 128 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1crr h GLN 129 N 0.00 0.39 -0.21 -0.14 3.07 -1.97 -0.12 115.11 116.14 1crr h GLN 129 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.61 1crr h GLN 129 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 1crr h GLN 129 CO 0.00 0.30 -0.27 0.00 0.09 0.00 0.00 178.83 178.94 1crr h ALA 130 N 1.77 1.15 -0.50 0.06 0.00 -1.86 -2.53 119.26 117.35 1crr h ALA 130 Ca 0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1crr h ALA 130 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1crr h ALA 130 CO -0.02 0.54 0.07 1.96 0.00 0.00 0.00 179.25 181.81 1crr h GLN 131 N 0.35 0.84 0.00 0.00 4.20 -1.27 -2.15 115.11 117.08 1crr h GLN 131 Ca 0.05 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1crr h GLN 131 Cb 0.67 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1crr h GLN 131 CO 0.05 0.84 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.60 1crr h ASP 132 N 0.72 0.00 0.01 1.46 3.32 -0.99 0.22 116.42 121.15 1crr h ASP 132 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1crr h ASP 132 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1crr h ASP 132 CO 0.01 0.01 -0.00 0.25 -1.72 0.00 0.00 179.24 177.79 1crr h LEU 133 N 0.00 -0.01 0.50 1.55 5.85 -1.18 -3.20 115.31 118.82 1crr h LEU 133 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1crr h LEU 133 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1crr h LEU 133 CO 0.00 0.40 -0.24 0.00 -0.34 0.00 0.00 178.44 178.26 1crr h ALA 134 N -1.19 -0.76 -1.22 1.25 0.00 -1.38 -3.07 119.26 112.89 1crr h ALA 134 Ca -0.00 -0.15 0.35 0.00 0.00 0.00 0.00 54.91 55.11 1crr h ALA 134 Cb 0.01 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1crr h ALA 134 CO 0.00 -0.71 0.85 -0.09 0.00 0.00 0.00 179.25 179.30 1crr h ARG 135 N -1.03 0.10 0.12 0.00 1.12 -0.75 0.92 114.38 114.86 1crr h ARG 135 Ca -0.07 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1crr h ARG 135 Cb 0.52 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1crr h ARG 135 CO 0.11 0.07 -0.06 1.03 -3.11 0.00 0.00 179.97 178.01 1crr h SER 136 N 0.10 -0.13 0.61 -3.80 0.87 -1.54 -2.61 113.55 107.04 1crr h SER 136 Ca 0.62 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1crr h SER 136 Cb 2.21 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.21 1crr h SER 136 CO -0.11 0.17 0.00 -1.22 -0.53 0.00 0.00 176.83 175.14 1crr n TYR 137 N -5.03 0.00 -2.57 2.24 4.01 0.16 -4.88 117.16 111.09 1crr n TYR 137 Ca -0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.59 1crr n TYR 137 Cb 0.20 -0.48 0.03 0.00 -0.31 0.00 0.00 39.34 38.77 1crr n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1crr n GLY 138 N 0.38 0.28 3.35 2.72 0.00 -0.30 -5.06 105.19 106.57 1crr n GLY 138 Ca 0.05 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1crr n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1crr s ILE 139 N -3.11 1.84 0.46 -0.61 -4.36 -1.10 -5.02 121.20 109.30 1crr s ILE 139 Ca 0.06 -2.07 -0.24 0.00 -0.26 0.00 0.00 60.65 58.14 1crr s ILE 139 Cb -0.03 -1.96 -0.07 0.00 1.25 0.00 0.00 42.46 41.66 1crr s ILE 139 CO 0.23 -0.43 1.26 -2.16 0.24 0.00 0.00 174.94 174.07 1crr s PRO 140 N -3.18 3.70 -0.13 0.37 0.04 -1.26 -4.32 135.00 130.22 1crr s PRO 140 Ca 0.19 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.28 1crr s PRO 140 Cb -0.04 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 32.00 1crr s PRO 140 CO 0.07 -0.67 -0.22 -0.47 0.04 0.00 0.00 177.00 175.75 1crr s TYR 141 N -1.38 2.58 0.33 0.56 5.04 -1.26 -2.35 117.35 120.87 1crr s TYR 141 Ca 0.63 -1.23 0.07 0.00 -2.44 0.00 0.00 57.07 54.09 1crr s TYR 141 Cb -0.35 -1.75 -0.03 0.00 0.35 0.00 0.00 41.96 40.18 1crr s TYR 141 CO 0.43 -0.55 0.26 0.42 -1.34 0.00 0.00 175.55 174.77 1crr s ILE 142 N 0.70 0.05 0.44 3.14 1.01 -1.07 -5.03 121.20 120.43 1crr s ILE 142 Ca -0.10 -2.00 0.03 0.00 0.00 0.00 0.00 60.65 58.58 1crr s ILE 142 Cb -0.16 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1crr s ILE 142 CO 0.01 0.00 0.07 -1.61 0.00 0.00 0.00 174.94 173.41 1crr s GLU 143 N -3.49 2.02 0.09 2.79 2.02 -1.26 -1.19 118.70 119.68 1crr s GLU 143 Ca 0.39 -2.25 -0.25 0.00 0.02 0.00 0.00 54.97 52.88 1crr s GLU 143 Cb 0.02 -1.01 0.08 0.00 0.10 0.00 0.00 34.13 33.33 1crr s GLU 143 CO 0.26 -0.41 0.71 0.95 0.02 0.00 0.00 175.26 176.80 1crr s THR 144 N -3.07 0.00 -0.30 3.63 -4.23 0.50 -4.21 115.64 107.96 1crr s THR 144 Ca 0.18 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1crr s THR 144 Cb 0.03 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 73.04 1crr s THR 144 CO 0.10 0.00 0.73 -0.55 -0.54 0.00 0.00 174.62 174.37 1crr s SER 145 N -2.57 -1.08 0.23 3.99 0.15 0.19 -1.89 113.70 112.72 1crr s SER 145 Ca 0.02 0.94 0.12 0.00 0.70 0.00 0.00 55.95 57.73 1crr s SER 145 Cb -0.01 2.01 0.03 0.00 -1.71 0.00 0.00 66.02 66.34 1crr s SER 145 CO -0.11 -0.20 1.41 0.00 1.20 0.00 0.00 173.24 175.55 1crr h ALA 146 N 7.94 0.59 0.00 5.45 0.00 -1.89 -0.38 119.26 130.98 1crr h ALA 146 Ca -0.19 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1crr h ALA 146 Cb 1.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1crr h ALA 146 CO 0.14 0.84 0.00 0.36 0.00 0.00 0.00 179.25 180.59 1crr n LYS 147 N -3.31 0.60 -0.16 0.00 2.85 -1.26 -3.67 118.16 113.20 1crr n LYS 147 Ca 0.01 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1crr n LYS 147 Cb 0.79 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1crr n LYS 147 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1crr n THR 148 N -1.12 0.00 -3.37 0.58 5.66 -1.21 -5.01 114.28 109.81 1crr n THR 148 Ca 0.16 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.92 1crr n THR 148 Cb 0.13 0.40 -0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1crr n ARG 149 N 0.00 -3.53 -3.52 1.09 1.74 -0.23 -4.91 116.66 107.30 1crr n ARG 149 Ca 0.00 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.17 1crr n ARG 149 Cb 0.53 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.64 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1crr s GLN 150 N -6.03 3.35 0.00 5.56 2.00 -0.72 -4.28 119.66 119.55 1crr s GLN 150 Ca 0.41 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 53.02 1crr s GLN 150 Cb -0.21 -3.84 0.00 0.00 0.80 0.00 0.00 33.01 29.75 1crr s GLN 150 CO 0.50 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 175.18 1crr n GLY 151 N 5.11 3.04 0.36 2.59 0.00 -1.26 0.56 105.19 115.59 1crr n GLY 151 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1crr n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1crr h VAL 152 N 0.00 0.89 -0.06 1.61 2.07 -1.75 -1.86 116.25 117.15 1crr h VAL 152 Ca 0.00 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1crr h VAL 152 Cb 0.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1crr h VAL 152 CO 0.00 0.08 -0.15 -0.33 0.02 0.00 0.00 177.57 177.20 1crr h GLU 153 N 0.46 0.21 0.00 1.57 5.08 -1.90 -2.93 114.58 117.08 1crr h GLU 153 Ca 0.31 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1crr h GLU 153 Cb 0.59 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1crr h GLU 153 CO -0.09 0.74 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.16 1crr h ASP 154 N -0.29 0.00 0.06 1.42 5.19 -1.76 -2.09 116.42 118.96 1crr h ASP 154 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1crr h ASP 154 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1crr h ASP 154 CO 0.03 0.06 -0.03 0.00 -3.12 0.00 0.00 179.24 176.18 1crr h ALA 155 N 1.94 -0.26 -0.30 3.45 0.00 -1.30 -2.79 119.26 120.00 1crr h ALA 155 Ca -0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1crr h ALA 155 Cb 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1crr h ALA 155 CO 0.01 -0.25 -0.07 0.74 0.00 0.00 0.00 179.25 179.67 1crr h PHE 156 N -0.26 -0.16 0.55 0.00 -1.00 -1.55 -1.57 116.94 112.95 1crr h PHE 156 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1crr h PHE 156 Cb 0.06 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1crr h PHE 156 CO 0.04 -0.13 -0.42 1.88 -1.61 0.00 0.00 178.31 178.07 1crr h TYR 157 N -0.00 -1.13 -0.11 -0.55 -1.99 -1.54 -1.90 116.97 109.74 1crr h TYR 157 Ca 0.14 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.90 1crr h TYR 157 Cb 0.22 0.42 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 1crr h TYR 157 CO -0.28 -0.60 0.16 1.15 -0.00 0.00 0.00 178.16 178.58 1crr h THR 158 N -0.94 0.34 -0.09 -2.88 2.02 -1.34 -1.96 112.91 108.05 1crr h THR 158 Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1crr h THR 158 Cb 0.80 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1crr h THR 158 CO 0.01 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 176.03 1crr h LEU 159 N 0.00 0.26 -1.37 2.58 5.85 -0.48 -2.60 115.31 119.55 1crr h LEU 159 Ca 0.05 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1crr h LEU 159 Cb 0.37 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1crr h LEU 159 CO -0.00 0.73 0.00 0.58 -0.34 0.00 0.00 178.44 179.41 1crr h VAL 160 N -0.21 0.00 0.00 1.05 2.07 -1.02 -2.33 116.25 115.81 1crr h VAL 160 Ca 0.01 -0.54 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 1crr h VAL 160 Cb 0.67 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1crr h VAL 160 CO 0.03 0.00 -0.87 0.03 0.02 0.00 0.00 177.57 176.77 1crr h ARG 161 N 0.00 0.00 0.00 1.57 3.08 -1.30 -2.18 114.38 115.55 1crr h ARG 161 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1crr h ARG 161 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1crr h ARG 161 CO 0.00 0.87 -1.35 1.05 -1.07 0.00 0.00 179.97 179.47 1crr h GLU 162 N 0.00 0.00 0.13 0.04 4.11 -1.19 -3.27 114.58 114.40 1crr h GLU 162 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.14 1crr h GLU 162 Cb 1.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.87 1crr h GLU 162 CO 0.11 0.62 -1.28 0.82 0.07 0.00 0.00 179.01 179.35 1crr h ILE 163 N 0.00 1.46 0.93 -1.06 2.04 -1.49 -3.21 117.51 116.18 1crr h ILE 163 Ca -0.16 -3.03 -0.05 0.00 1.00 0.00 0.00 64.86 62.63 1crr h ILE 163 Cb 1.83 2.94 0.01 0.00 -0.74 0.00 0.00 36.82 40.86 1crr h ILE 163 CO 0.09 0.88 -0.45 -0.09 0.00 0.00 0.00 178.15 178.58 1crr h ARG 164 N 0.08 -1.21 -0.73 2.37 2.43 -1.52 -2.98 114.38 112.83 1crr h ARG 164 Ca -0.15 0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.26 1crr h ARG 164 Cb 1.99 0.27 -0.10 0.00 -0.42 0.00 0.00 29.97 31.71 1crr h ARG 164 CO 0.20 -0.80 0.20 0.37 -1.51 0.00 0.00 179.97 178.43 1crr h GLN 165 N -1.25 0.29 0.00 0.20 4.15 -1.70 -3.52 115.11 113.28 1crr h GLN 165 Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1crr h GLN 165 Cb 0.96 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1crr h GLN 165 CO 0.20 0.19 0.00 0.72 -1.93 0.00 0.00 178.83 178.02