#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 2.00 -0.06 3.17 2.01 -1.26 -4.87 115.64 116.63 1crr s THR 2 Ca 0.00 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1crr s THR 2 Cb 0.00 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1crr s THR 2 CO 0.00 0.00 0.01 -1.61 -0.69 0.00 0.00 174.62 172.33 1crr s GLU 3 N -5.68 0.45 0.21 4.92 2.02 -1.26 -2.54 118.70 116.82 1crr s GLU 3 Ca 0.74 0.16 0.03 0.00 0.02 0.00 0.00 54.97 55.92 1crr s GLU 3 Cb -0.03 -0.84 -0.05 0.00 0.10 0.00 0.00 34.13 33.31 1crr s GLU 3 CO 0.51 -0.29 -0.01 0.71 0.02 0.00 0.00 175.26 176.19 1crr s TYR 4 N 1.92 1.47 0.04 1.61 2.02 -1.01 -5.01 117.35 118.39 1crr s TYR 4 Ca 0.04 -0.92 0.07 0.00 -0.37 0.00 0.00 57.07 55.89 1crr s TYR 4 Cb -0.12 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1crr s TYR 4 CO -0.04 -0.05 -0.19 0.15 -1.57 0.00 0.00 175.55 173.84 1crr s LYS 5 N -3.86 2.04 -0.88 -0.62 1.02 -1.26 -2.02 119.74 114.16 1crr s LYS 5 Ca 0.27 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 55.15 1crr s LYS 5 Cb 0.05 -2.16 0.23 0.00 -0.52 0.00 0.00 37.83 35.43 1crr s LYS 5 CO 0.07 0.54 0.82 -0.51 -0.92 0.00 0.00 175.35 175.35 1crr s LEU 6 N -1.39 6.47 -0.31 3.17 1.43 -0.97 -2.24 118.68 124.83 1crr s LEU 6 Ca 0.14 -2.98 -0.27 0.00 -1.03 0.00 0.00 54.13 49.99 1crr s LEU 6 Cb -0.10 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1crr s LEU 6 CO 0.05 -0.46 2.25 -0.69 0.23 0.00 0.00 176.35 177.72 1crr s VAL 7 N -0.28 3.04 -0.14 -1.59 1.01 0.30 -2.88 120.40 119.86 1crr s VAL 7 Ca 0.21 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1crr s VAL 7 Cb -0.11 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1crr s VAL 7 CO -0.08 -0.05 0.19 -0.69 0.00 0.00 0.00 175.10 174.47 1crr s VAL 8 N 9.40 5.39 -0.23 2.92 1.01 -1.10 -0.73 120.40 137.06 1crr s VAL 8 Ca 0.98 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 1crr s VAL 8 Cb -0.27 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.67 1crr s VAL 8 CO 0.32 0.52 0.58 0.68 0.00 0.00 0.00 175.10 177.19 1crr s VAL 9 N -0.33 -0.01 0.00 2.92 -7.23 -1.14 -4.71 120.40 109.90 1crr s VAL 9 Ca 0.14 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1crr s VAL 9 Cb -0.12 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1crr s VAL 9 CO 0.03 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1crr n GLY 10 N 3.87 0.75 3.32 2.32 0.00 -1.26 -0.78 105.19 113.40 1crr n GLY 10 Ca -0.19 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.00 1.89 -1.11 4.61 0.00 -1.25 -4.85 121.76 120.05 1crr s ALA 11 Ca 0.00 -1.49 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 1crr s ALA 11 Cb 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1crr s ALA 11 CO 0.00 0.16 1.67 0.20 0.00 0.00 0.00 175.76 177.79 1crr s GLY 12 N -2.78 1.10 0.00 0.00 0.00 -1.26 -2.76 107.32 101.63 1crr s GLY 12 Ca 0.16 -2.35 0.00 0.00 0.00 0.00 0.00 44.72 42.53 1crr s GLY 12 CO 0.06 2.91 0.00 0.61 0.00 0.00 0.00 173.10 176.68 1crr n GLY 13 N 6.29 0.65 0.39 0.20 0.00 -1.26 -4.99 105.19 106.47 1crr n GLY 13 Ca 0.40 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.63 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 0.72 0.00 1.61 -1.51 -1.89 -3.45 116.25 111.73 1crr h VAL 14 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1crr h VAL 14 Cb 0.00 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1crr h VAL 14 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1crr n GLY 15 N -1.63 1.85 0.17 5.19 0.00 -1.26 -4.53 105.19 104.98 1crr n GLY 15 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1crr n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1crr h LYS 16 N 0.00 0.11 0.13 1.61 2.10 -1.87 -2.60 116.57 116.06 1crr h LYS 16 Ca 0.00 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1crr h LYS 16 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1crr h LYS 16 CO 0.00 0.58 -0.06 0.77 -2.00 0.00 0.00 179.45 178.74 1crr h SER 17 N 0.09 -0.14 -0.91 7.07 0.02 -1.94 -2.42 113.55 115.31 1crr h SER 17 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 1crr h SER 17 Cb 0.91 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 1crr h SER 17 CO 0.07 0.14 0.72 0.00 -1.14 0.00 0.00 176.83 176.62 1crr h ALA 18 N -1.43 2.81 -0.06 3.77 0.00 -1.84 0.31 119.26 122.81 1crr h ALA 18 Ca -0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1crr h ALA 18 Cb 0.13 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1crr h ALA 18 CO 0.03 -1.20 -0.48 -0.07 0.00 0.00 0.00 179.25 177.53 1crr h LEU 19 N 0.00 0.53 0.53 0.00 3.38 -1.52 -2.39 115.31 115.84 1crr h LEU 19 Ca 0.43 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1crr h LEU 19 Cb 1.88 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1crr h LEU 19 CO -0.00 1.13 -0.26 0.74 0.09 0.00 0.00 178.44 180.13 1crr h THR 20 N -0.03 0.00 -1.00 0.22 2.02 0.12 -2.50 112.91 111.74 1crr h THR 20 Ca -0.04 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.42 1crr h THR 20 Cb 1.15 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1crr h THR 20 CO 0.10 0.00 0.71 0.40 0.37 0.00 0.00 175.52 177.09 1crr h ILE 21 N -0.72 0.51 0.90 3.11 5.03 -1.44 -1.84 117.51 123.07 1crr h ILE 21 Ca -0.07 -0.02 -0.04 0.00 -0.12 0.00 0.00 64.86 64.60 1crr h ILE 21 Cb 0.55 0.45 0.01 0.00 -3.03 0.00 0.00 36.82 34.80 1crr h ILE 21 CO 0.12 0.01 -0.43 -0.61 -0.68 0.00 0.00 178.15 176.55 1crr h GLN 22 N 0.06 -1.17 -0.05 2.37 4.15 -1.00 -0.87 115.11 118.60 1crr h GLN 22 Ca 0.48 0.08 0.01 0.00 0.77 0.00 0.00 58.65 60.00 1crr h GLN 22 Cb 1.83 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 29.78 1crr h GLN 22 CO -0.04 -0.78 0.08 1.25 -1.93 0.00 0.00 178.83 177.41 1crr h LEU 23 N -1.28 0.00 0.00 -2.39 5.85 -0.96 -3.18 115.31 113.35 1crr h LEU 23 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1crr h LEU 23 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1crr h LEU 23 CO 0.20 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.92 1crr n ILE 24 N -3.57 0.00 0.00 4.05 5.41 -0.92 -4.87 119.36 119.47 1crr n ILE 24 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1crr n ILE 24 Cb 0.17 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1crr n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1crr n GLN 25 N -0.44 0.00 0.00 0.38 1.13 -0.37 -5.04 117.38 113.04 1crr n GLN 25 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1crr n GLN 25 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 30.24 30.17 1crr n GLN 25 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1crr n ASN 26 N 0.00 0.00 -3.98 1.08 4.13 -1.20 -5.00 115.26 110.29 1crr n ASN 26 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1crr n ASN 26 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1crr s HIS 27 N 0.00 0.00 -0.58 3.10 -3.43 -1.26 -5.07 115.29 108.05 1crr s HIS 27 Ca 0.00 -0.03 0.04 0.00 -0.80 0.00 0.00 55.06 54.27 1crr s HIS 27 Cb 0.00 0.51 0.14 0.00 -1.43 0.00 0.00 32.58 31.80 1crr s HIS 27 CO 0.00 -0.05 0.34 0.12 -2.00 0.00 0.00 174.74 173.14 1crr s PHE 28 N -2.01 3.30 0.30 0.38 5.36 -1.26 -4.23 117.98 119.82 1crr s PHE 28 Ca 0.31 -3.19 -0.29 0.00 -0.96 0.00 0.00 56.93 52.81 1crr s PHE 28 Cb 0.00 -2.83 -0.10 0.00 -0.34 0.00 0.00 43.02 39.76 1crr s PHE 28 CO -0.03 -0.70 1.25 0.14 -1.46 0.00 0.00 175.22 174.42 1crr s VAL 29 N -0.57 2.99 -1.61 3.12 -7.23 -1.26 -4.93 120.40 110.91 1crr s VAL 29 Ca 0.19 0.98 0.13 0.00 -1.81 0.00 0.00 61.98 61.47 1crr s VAL 29 Cb -0.20 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.23 1crr s VAL 29 CO -0.04 0.22 0.94 -0.67 -0.31 0.00 0.00 175.10 175.24 1crr n ASP 30 N 1.10 2.15 -2.66 4.85 2.03 -1.26 -4.70 116.55 118.06 1crr n ASP 30 Ca 0.00 -1.57 -0.03 0.00 0.52 0.00 0.00 54.79 53.71 1crr n ASP 30 Cb 0.43 -0.02 0.03 0.00 -0.72 0.00 0.00 41.12 40.84 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1crr n GLU 31 N 0.74 0.09 -0.14 -0.67 0.28 -1.26 -5.15 120.64 114.52 1crr n GLU 31 Ca 0.08 -0.61 -0.13 0.00 -0.16 0.00 0.00 57.16 56.34 1crr n GLU 31 Cb 0.34 -0.03 0.12 0.00 1.43 0.00 0.00 31.44 33.29 1crr n GLU 31 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1crr n TYR 32 N -0.13 -2.85 -1.48 -1.84 4.11 -1.26 -4.72 117.16 109.00 1crr n TYR 32 Ca -0.21 -0.35 -0.47 0.00 -0.00 0.00 0.00 57.90 56.87 1crr n TYR 32 Cb 0.68 -0.51 -0.07 0.00 -0.00 0.00 0.00 39.34 39.44 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 -4.13 2.15 0.00 9.48 8.00 -1.26 -4.79 116.55 126.01 1crr n ASP 33 Ca 0.06 0.24 0.09 0.00 0.71 0.00 0.00 54.79 55.89 1crr n ASP 33 Cb 0.25 -1.32 0.42 0.00 -0.02 0.00 0.00 41.12 40.45 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 8.40 0.16 -1.12 -0.24 -0.04 -1.26 -3.40 135.00 137.50 1crr n PRO 34 Ca 0.41 0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 63.76 1crr n PRO 34 Cb 0.28 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.36 3.19 -2.86 0.52 -2.24 -1.26 -4.74 114.28 105.52 1crr n THR 35 Ca 0.07 -2.24 -0.30 0.00 -2.27 0.00 0.00 64.05 59.32 1crr n THR 35 Cb 0.16 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.59 4.82 -0.53 2.28 1.01 -1.22 -5.03 121.20 118.94 1crr s ILE 36 Ca 0.51 0.51 0.06 0.00 0.00 0.00 0.00 60.65 61.73 1crr s ILE 36 Cb 0.40 -3.75 0.23 0.00 0.01 0.00 0.00 42.46 39.36 1crr s ILE 36 CO 0.01 -0.55 0.60 1.21 0.00 0.00 0.00 174.94 176.21 1crr n GLU 37 N -1.40 1.56 -3.09 2.79 2.13 -1.26 -3.49 120.64 117.87 1crr n GLU 37 Ca 0.02 -3.97 -0.00 0.00 0.66 0.00 0.00 57.16 53.86 1crr n GLU 37 Cb 0.54 -1.82 -0.00 0.00 0.27 0.00 0.00 31.44 30.43 1crr n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1crr n ASP 38 N 1.36 -6.74 -3.20 4.31 5.68 -1.19 -4.85 116.55 111.92 1crr n ASP 38 Ca 0.26 0.65 0.04 0.00 -0.50 0.00 0.00 54.79 55.24 1crr n ASP 38 Cb 0.46 -2.19 -0.02 0.00 -1.14 0.00 0.00 41.12 38.23 1crr n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1crr s SER 39 N -0.93 -0.58 -0.22 -1.12 1.04 -1.26 -4.68 113.70 105.96 1crr s SER 39 Ca -0.01 0.44 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 1crr s SER 39 Cb 0.00 1.52 0.07 0.00 0.10 0.00 0.00 66.02 67.70 1crr s SER 39 CO 0.13 -0.11 0.54 -0.31 0.98 0.00 0.00 173.24 174.47 1crr s TYR 40 N 2.82 -0.77 -0.06 5.02 2.02 -0.35 -4.87 117.35 121.16 1crr s TYR 40 Ca 0.01 1.63 0.02 0.00 -0.37 0.00 0.00 57.07 58.37 1crr s TYR 40 Cb -0.10 0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.86 1crr s TYR 40 CO -0.13 -0.40 -0.12 1.03 -1.57 0.00 0.00 175.55 174.36 1crr s ARG 41 N 1.27 1.66 -0.14 -0.62 0.52 -1.26 -0.55 118.95 119.83 1crr s ARG 41 Ca -0.08 -0.40 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 1crr s ARG 41 Cb -0.06 -1.38 0.04 0.00 0.52 0.00 0.00 34.95 34.06 1crr s ARG 41 CO -0.13 0.02 0.36 0.21 0.02 0.00 0.00 175.30 175.79 1crr s LYS 42 N 0.68 0.41 -0.12 3.54 2.47 -1.22 -4.97 119.74 120.53 1crr s LYS 42 Ca -0.14 0.56 -0.07 0.00 -1.56 0.00 0.00 55.97 54.75 1crr s LYS 42 Cb -0.16 0.15 -0.04 0.00 -1.46 0.00 0.00 37.83 36.32 1crr s LYS 42 CO 0.04 -0.08 0.15 1.14 0.16 0.00 0.00 175.35 176.76 1crr s GLN 43 N 0.46 3.49 0.31 4.03 -2.07 -1.26 -2.51 119.66 122.12 1crr s GLN 43 Ca -0.02 -0.11 0.05 0.00 -1.82 0.00 0.00 55.36 53.46 1crr s GLN 43 Cb -0.04 -3.20 -0.02 0.00 -1.09 0.00 0.00 33.01 28.66 1crr s GLN 43 CO -0.02 0.76 0.18 1.33 -1.32 0.00 0.00 175.29 176.22 1crr n VAL 44 N 2.02 0.00 -4.24 3.63 0.24 -1.22 -5.00 118.33 113.77 1crr n VAL 44 Ca -0.20 -2.05 -0.26 0.00 -2.04 0.00 0.00 64.34 59.80 1crr n VAL 44 Cb 0.55 0.89 -0.17 0.00 -1.47 0.00 0.00 33.84 33.64 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 -3.01 1.12 -0.78 3.34 1.01 -1.26 -2.48 120.40 118.35 1crr s VAL 45 Ca 0.26 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1crr s VAL 45 Cb 0.01 -1.08 0.20 0.00 0.00 0.00 0.00 36.38 35.52 1crr s VAL 45 CO 0.18 0.37 0.69 -0.63 0.00 0.00 0.00 175.10 175.72 1crr s ILE 46 N 1.19 5.23 -1.57 2.22 -1.09 -1.26 -4.55 121.20 121.37 1crr s ILE 46 Ca -0.04 -2.53 -0.04 0.00 -2.23 0.00 0.00 60.65 55.81 1crr s ILE 46 Cb -0.14 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1crr s ILE 46 CO -0.03 -0.99 0.43 0.47 -1.23 0.00 0.00 174.94 173.59 1crr n ASP 47 N 3.93 -5.78 -0.58 3.58 9.92 -1.26 -2.42 116.55 123.94 1crr n ASP 47 Ca 0.11 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1crr n ASP 47 Cb 0.45 -4.72 0.00 0.00 -0.64 0.00 0.00 41.12 36.21 1crr n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1crr n GLY 48 N -1.35 0.75 0.01 0.44 0.00 -1.26 -4.99 105.19 98.79 1crr n GLY 48 Ca -0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1crr n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1crr n GLU 49 N -0.58 1.32 -2.38 1.61 4.07 -1.02 -5.12 120.64 118.54 1crr n GLU 49 Ca 0.00 0.01 -0.02 0.00 -0.06 0.00 0.00 57.16 57.09 1crr n GLU 49 Cb 0.41 -1.05 -0.02 0.00 -0.06 0.00 0.00 31.44 30.72 1crr n GLU 49 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1crr n THR 50 N -2.40-12.81 -3.81 6.31 -1.04 -1.26 -4.44 114.28 94.83 1crr n THR 50 Ca -0.04 2.91 -0.14 0.00 -2.04 0.00 0.00 64.05 64.74 1crr n THR 50 Cb 0.55 -6.15 -0.15 0.00 -1.82 0.00 0.00 70.33 62.76 1crr n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1crr s LEU 52 N 0.61 4.16 -0.63 0.00 0.20 -1.05 -3.41 118.68 118.57 1crr s LEU 52 Ca -0.05 1.68 -0.09 0.00 0.69 0.00 0.00 54.13 56.37 1crr s LEU 52 Cb -0.07 -3.54 0.16 0.00 -0.43 0.00 0.00 46.19 42.31 1crr s LEU 52 CO -0.02 -0.80 0.50 -0.76 -0.29 0.00 0.00 176.35 174.99 1crr s LEU 53 N 3.61 5.87 -0.95 -0.68 1.43 -1.04 -2.42 118.68 124.50 1crr s LEU 53 Ca 0.56 -2.44 -0.24 0.00 -1.03 0.00 0.00 54.13 50.97 1crr s LEU 53 Cb -0.22 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1crr s LEU 53 CO 0.16 -0.56 1.83 -0.62 0.23 0.00 0.00 176.35 177.40 1crr s ASP 54 N 1.90 5.46 0.15 2.29 2.15 -0.85 -3.38 116.67 124.39 1crr s ASP 54 Ca 0.13 -0.93 -0.30 0.00 0.43 0.00 0.00 52.55 51.87 1crr s ASP 54 Cb -0.20 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.78 1crr s ASP 54 CO -0.04 -2.47 1.28 -0.63 -0.17 0.00 0.00 175.17 173.14 1crr s ILE 55 N 8.91 3.50 -0.29 4.11 1.09 0.29 -2.30 121.20 136.52 1crr s ILE 55 Ca 0.64 1.16 0.03 0.00 -1.10 0.00 0.00 60.65 61.39 1crr s ILE 55 Cb -0.05 -3.74 0.08 0.00 -1.06 0.00 0.00 42.46 37.69 1crr s ILE 55 CO -0.02 0.14 -0.04 -0.22 -0.10 0.00 0.00 174.94 174.70 1crr s LEU 56 N 0.40 3.74 -0.35 2.97 2.96 -1.14 -1.21 118.68 126.04 1crr s LEU 56 Ca 0.58 -1.64 0.03 0.00 -0.22 0.00 0.00 54.13 52.88 1crr s LEU 56 Cb -0.34 -1.50 0.10 0.00 0.50 0.00 0.00 46.19 44.95 1crr s LEU 56 CO 0.34 -0.27 0.08 -0.62 -1.32 0.00 0.00 176.35 174.56 1crr s ASP 57 N 1.09 4.52 0.98 3.68 2.15 -1.26 -2.70 116.67 125.13 1crr s ASP 57 Ca -0.01 -2.12 -0.15 0.00 0.43 0.00 0.00 52.55 50.70 1crr s ASP 57 Cb -0.19 -1.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.98 1crr s ASP 57 CO -0.07 -0.37 -0.05 0.35 -0.17 0.00 0.00 175.17 174.86 1crr n THR 58 N 4.28 0.00 -2.10 1.71 -2.24 -1.26 -3.16 114.28 111.50 1crr n THR 58 Ca 0.03 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 1crr n THR 58 Cb 0.41 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.33 2.61 0.00 6.98 0.00 -1.23 -4.54 120.51 121.00 1crr n ALA 59 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1crr n ALA 59 Cb 0.56 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 0.10 -1.35 3.97 0.00 0.00 -1.25 -4.26 105.19 102.40 1crr n GLY 60 Ca -0.07 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 1crr n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1crr n GLN 61 N 0.00 -0.48 -2.04 1.61 -0.00 -1.26 -4.92 117.38 110.28 1crr n GLN 61 Ca 0.00 -0.13 -0.28 0.00 -0.00 0.00 0.00 57.00 56.59 1crr n GLN 61 Cb 0.00 -1.38 0.14 0.00 -0.00 0.00 0.00 30.24 29.00 1crr n GLN 61 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1crr s GLU 62 N -6.69 1.29 -0.45 2.61 2.02 -1.26 -4.63 118.70 111.59 1crr s GLU 62 Ca 0.33 -0.35 -0.15 0.00 0.02 0.00 0.00 54.97 54.82 1crr s GLU 62 Cb -0.18 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.09 1crr s GLU 62 CO 0.66 -1.94 0.61 0.39 0.02 0.00 0.00 175.26 175.00 1crr n GLU 63 N -3.43 -2.31 -1.35 1.61 1.02 -1.26 -4.78 120.64 110.13 1crr n GLU 63 Ca 0.12 2.08 0.13 0.00 -0.02 0.00 0.00 57.16 59.47 1crr n GLU 63 Cb 0.60 -5.67 -0.07 0.00 -0.02 0.00 0.00 31.44 26.28 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 -0.40 -3.65 0.00 -0.32 9.36 -1.26 -4.87 117.16 116.02 1crr n TYR 64 Ca 0.11 2.01 0.00 0.00 3.32 0.00 0.00 57.90 63.34 1crr n TYR 64 Cb 0.46 -3.28 0.00 0.00 -0.63 0.00 0.00 39.34 35.90 1crr n TYR 64 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1crr n SER 65 N -3.85 0.00 -2.17 2.98 7.64 -1.26 -4.92 113.62 112.05 1crr n SER 65 Ca -0.07 0.24 -0.20 0.00 1.01 0.00 0.00 58.87 59.85 1crr n SER 65 Cb 0.60 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.36 -0.54 0.02 -0.43 0.00 -1.26 -4.44 120.51 112.50 1crr n ALA 66 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1crr n ALA 66 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1crr n ALA 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1crr n MET 67 N -2.81 0.00 0.21 0.00 0.00 -1.26 -4.84 117.12 108.42 1crr n MET 67 Ca -0.23 0.00 0.06 0.00 -0.00 0.00 0.00 57.70 57.53 1crr n MET 67 Cb 0.68 0.00 0.47 0.00 0.00 0.00 0.00 33.22 34.36 1crr n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1crr h ARG 68 N 0.00 0.00 0.09 2.12 2.43 -1.97 0.18 114.38 117.22 1crr h ARG 68 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1crr h ARG 68 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1crr h ARG 68 CO 0.00 0.29 -0.04 0.22 -1.51 0.00 0.00 179.97 178.93 1crr h ASP 69 N 0.00 -0.10 0.52 -3.80 1.82 -1.90 -2.19 116.42 110.77 1crr h ASP 69 Ca -0.00 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1crr h ASP 69 Cb 0.58 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1crr h ASP 69 CO 0.04 0.52 0.00 0.00 -1.61 0.00 0.00 179.24 178.19 1crr n GLN 70 N -4.84 0.06 -0.01 0.28 10.64 -1.13 -2.10 117.38 120.28 1crr n GLN 70 Ca -0.08 0.33 -0.08 0.00 -1.83 0.00 0.00 57.00 55.34 1crr n GLN 70 Cb 0.29 -1.62 -0.14 0.00 -0.86 0.00 0.00 30.24 27.91 1crr n GLN 70 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1crr h TYR 71 N 0.00 0.00 -0.35 2.61 3.20 -0.89 -3.26 116.97 118.27 1crr h TYR 71 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1crr h TYR 71 Cb 0.26 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1crr h TYR 71 CO 0.00 1.00 0.23 0.52 -1.64 0.00 0.00 178.16 178.27 1crr h MET 72 N 0.00 0.41 -0.01 1.82 2.86 -0.83 -0.79 114.93 118.39 1crr h MET 72 Ca -0.26 -0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 57.16 1crr h MET 72 Cb 1.99 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.55 1crr h MET 72 CO 0.08 0.27 -0.86 -0.09 1.06 0.00 0.00 176.91 177.38 1crr h ARG 73 N 0.43 0.29 0.00 1.72 2.43 -1.66 -3.41 114.38 114.17 1crr h ARG 73 Ca 0.14 -0.29 -0.24 0.00 -0.81 0.00 0.00 59.98 58.77 1crr h ARG 73 Cb 0.02 0.08 0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1crr h ARG 73 CO -0.03 0.99 0.03 0.25 -1.51 0.00 0.00 179.97 179.70 1crr n THR 74 N -3.72 0.00 -1.38 0.20 -2.24 -0.30 -4.87 114.28 101.97 1crr n THR 74 Ca -0.04 -0.86 0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1crr n THR 74 Cb 0.79 -1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 1crr n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1crr n GLY 75 N 1.15 -3.55 0.00 3.38 0.00 -1.26 -4.89 105.19 100.02 1crr n GLY 75 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.68 3.15 -2.71 1.61 4.71 -1.21 -4.95 120.64 117.55 1crr n GLU 76 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.67 1crr n GLU 76 Cb 0.58 -0.62 -0.03 0.00 -1.01 0.00 0.00 31.44 30.37 1crr n GLU 76 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1crr s GLY 77 N -0.86 1.54 -1.27 0.62 0.00 -0.95 -3.90 107.32 102.49 1crr s GLY 77 Ca 0.00 -2.46 -0.14 0.00 0.00 0.00 0.00 44.72 42.12 1crr s GLY 77 CO 0.00 2.40 1.69 0.69 0.00 0.00 0.00 173.10 177.88 1crr n PHE 78 N 7.91 4.29 -1.99 1.90 3.01 -1.13 0.11 117.46 131.56 1crr n PHE 78 Ca 0.29 -3.07 -0.26 0.00 1.01 0.00 0.00 57.45 55.42 1crr n PHE 78 Cb 0.50 -2.27 -0.05 0.00 -0.01 0.00 0.00 39.48 37.64 1crr n PHE 78 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1crr s LEU 79 N 1.84 3.14 -0.90 4.37 2.96 0.09 -2.40 118.68 127.78 1crr s LEU 79 Ca 0.45 -0.55 -0.25 0.00 -0.22 0.00 0.00 54.13 53.56 1crr s LEU 79 Cb 0.03 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.11 1crr s LEU 79 CO 0.01 -2.86 2.00 0.00 -1.32 0.00 0.00 176.35 174.18 1crr n VAL 81 N 7.99 0.66 -3.80 0.00 0.31 0.04 -2.31 118.33 121.22 1crr n VAL 81 Ca 0.41 -0.19 -0.27 0.00 -0.01 0.00 0.00 64.34 64.28 1crr n VAL 81 Cb 0.46 -2.27 -0.17 0.00 -0.91 0.00 0.00 33.84 30.96 1crr n VAL 81 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1crr s PHE 82 N 5.10 1.21 -0.14 3.52 5.36 -0.80 -3.96 117.98 128.27 1crr s PHE 82 Ca 0.92 -0.82 -0.21 0.00 -0.96 0.00 0.00 56.93 55.86 1crr s PHE 82 Cb -0.47 -1.09 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 1crr s PHE 82 CO 0.43 -0.56 0.61 0.00 -1.46 0.00 0.00 175.22 174.24 1crr s ALA 83 N 1.79 3.47 0.42 11.12 0.00 -1.26 -1.30 121.76 136.00 1crr s ALA 83 Ca 0.01 -0.13 0.11 0.00 0.00 0.00 0.00 51.96 51.94 1crr s ALA 83 Cb -0.16 -2.89 0.91 0.00 0.00 0.00 0.00 23.12 20.99 1crr s ALA 83 CO -0.07 -0.29 1.98 -0.84 0.00 0.00 0.00 175.76 176.55 1crr h ILE 84 N 4.94 1.13 0.00 0.00 -0.00 -1.75 -2.13 117.51 119.71 1crr h ILE 84 Ca -0.37 -0.55 -0.18 0.00 -0.00 0.00 0.00 64.86 63.77 1crr h ILE 84 Cb 1.17 1.10 -0.02 0.00 -0.00 0.00 0.00 36.82 39.07 1crr h ILE 84 CO 0.76 0.17 -0.83 -1.13 -0.00 0.00 0.00 178.15 177.13 1crr h ASN 85 N 0.20 0.05 -2.73 2.16 -0.73 -1.81 -2.03 115.58 110.69 1crr h ASN 85 Ca 0.04 -0.05 -0.66 0.00 1.87 0.00 0.00 56.30 57.51 1crr h ASN 85 Cb 0.25 -0.02 -0.16 0.00 0.27 0.00 0.00 38.32 38.66 1crr h ASN 85 CO 0.01 0.86 0.41 0.21 -0.37 0.00 0.00 177.43 178.55 1crr s ASN 86 N -6.81 6.19 0.37 1.15 3.84 -0.80 -4.52 114.94 114.36 1crr s ASN 86 Ca -0.01 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.03 1crr s ASN 86 Cb 0.11 -2.38 0.73 0.00 -0.55 0.00 0.00 41.25 39.16 1crr s ASN 86 CO 0.80 -1.32 1.82 0.74 -2.79 0.00 0.00 177.10 176.34 1crr h THR 87 N 5.95 1.23 -0.13 -5.21 2.02 -1.78 -2.53 112.91 112.46 1crr h THR 87 Ca -0.28 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 1crr h THR 87 Cb 1.07 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1crr h THR 87 CO 1.15 0.37 -0.01 0.50 0.37 0.00 0.00 175.52 177.90 1crr h LYS 88 N 0.00 0.18 -0.28 6.66 1.63 -1.92 -0.73 116.57 122.11 1crr h LYS 88 Ca -0.00 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1crr h LYS 88 Cb 0.69 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 1crr h LYS 88 CO 0.05 0.21 -0.10 0.66 -3.45 0.00 0.00 179.45 176.82 1crr h SER 89 N 0.18 0.45 -0.04 4.20 4.64 -1.76 -1.75 113.55 119.46 1crr h SER 89 Ca 0.04 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1crr h SER 89 Cb 0.15 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1crr h SER 89 CO 0.00 0.60 0.03 0.15 -0.87 0.00 0.00 176.83 176.74 1crr h PHE 90 N 0.44 0.06 0.00 4.77 3.04 -1.19 -1.22 116.94 122.83 1crr h PHE 90 Ca 0.09 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1crr h PHE 90 Cb 0.45 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 1crr h PHE 90 CO 0.01 0.10 -0.11 0.93 -2.02 0.00 0.00 178.31 177.22 1crr h GLU 91 N 0.01 0.00 0.00 1.11 5.08 -1.32 -1.95 114.58 117.51 1crr h GLU 91 Ca 0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1crr h GLU 91 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1crr h GLU 91 CO -0.00 0.11 -0.72 -0.44 -1.00 0.00 0.00 179.01 176.95 1crr h ASP 92 N 0.00 0.00 1.32 1.42 3.32 -0.40 -3.16 116.42 118.92 1crr h ASP 92 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1crr h ASP 92 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1crr h ASP 92 CO 0.01 0.72 -0.63 0.40 -1.72 0.00 0.00 179.24 178.03 1crr h ILE 93 N 0.00 1.09 -0.23 0.35 1.08 -0.49 -1.39 117.51 117.92 1crr h ILE 93 Ca -0.01 -2.50 -0.01 0.00 -0.39 0.00 0.00 64.86 61.96 1crr h ILE 93 Cb 1.39 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 37.63 1crr h ILE 93 CO 0.09 0.61 0.10 -0.74 -0.69 0.00 0.00 178.15 177.53 1crr h HIS 94 N 0.00 0.35 0.00 1.37 2.76 -1.43 -2.93 115.15 115.26 1crr h HIS 94 Ca -0.01 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1crr h HIS 94 Cb 1.46 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 30.31 1crr h HIS 94 CO 0.00 0.35 -1.06 1.96 -1.30 0.00 0.00 177.93 177.88 1crr h GLN 95 N 0.24 0.00 0.00 5.26 4.20 -1.63 -3.33 115.11 119.85 1crr h GLN 95 Ca 0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1crr h GLN 95 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1crr h GLN 95 CO -0.01 0.05 -0.12 1.88 -0.67 0.00 0.00 178.83 179.96 1crr h TYR 96 N 0.00 0.00 -0.28 2.96 -1.99 -1.19 -2.12 116.97 114.35 1crr h TYR 96 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1crr h TYR 96 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1crr h TYR 96 CO 0.00 0.12 0.00 2.89 -0.00 0.00 0.00 178.16 181.17 1crr n ARG 97 N -3.44 2.30 -0.03 4.88 -4.01 -1.12 -3.47 116.66 111.77 1crr n ARG 97 Ca -0.01 -1.28 -0.04 0.00 -1.04 0.00 0.00 57.85 55.48 1crr n ARG 97 Cb 0.29 -1.59 -0.03 0.00 -3.04 0.00 0.00 32.46 28.09 1crr n ARG 97 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1crr n GLU 98 N 0.34 0.14 0.18 2.89 -0.58 -0.80 -4.38 120.64 118.44 1crr n GLU 98 Ca 0.12 0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.92 1crr n GLU 98 Cb 0.50 -1.10 0.35 0.00 -0.57 0.00 0.00 31.44 30.63 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1crr h GLN 99 N -0.01 0.00 -0.25 3.49 4.15 -1.65 -0.24 115.11 120.60 1crr h GLN 99 Ca -0.13 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.16 1crr h GLN 99 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1crr h GLN 99 CO -0.02 0.39 -0.40 0.82 -1.93 0.00 0.00 178.83 177.69 1crr h ILE 100 N 0.00 1.30 0.00 2.39 2.04 -1.80 -1.59 117.51 119.84 1crr h ILE 100 Ca -0.00 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 1crr h ILE 100 Cb 0.73 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1crr h ILE 100 CO 0.05 0.49 -0.32 0.11 0.00 0.00 0.00 178.15 178.49 1crr h LYS 101 N 0.48 0.00 0.56 2.37 1.57 -1.56 -2.63 116.57 117.37 1crr h LYS 101 Ca 0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1crr h LYS 101 Cb 0.90 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1crr h LYS 101 CO 0.08 0.32 -0.27 -0.09 -0.57 0.00 0.00 179.45 178.92 1crr h ARG 102 N 0.00 -0.72 0.12 3.15 2.43 -0.15 0.43 114.38 119.64 1crr h ARG 102 Ca -0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1crr h ARG 102 Cb 0.84 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1crr h ARG 102 CO 0.04 -0.45 -0.11 0.28 -1.51 0.00 0.00 179.97 178.21 1crr h VAL 103 N -1.16 0.00 0.00 0.20 2.07 -1.36 -1.75 116.25 114.24 1crr h VAL 103 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1crr h VAL 103 Cb 0.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1crr h VAL 103 CO 0.13 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.83 1crr h LYS 104 N -0.23 0.00 -5.64 1.57 1.79 -1.62 -3.46 116.57 108.98 1crr h LYS 104 Ca -0.01 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.11 1crr h LYS 104 Cb 0.20 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 31.01 1crr h LYS 104 CO -0.01 0.00 -0.73 -3.47 -1.08 0.00 0.00 179.45 174.15 1crr n ASP 105 N -2.68 -3.23 -3.60 0.86 -0.08 0.14 -4.98 116.55 102.98 1crr n ASP 105 Ca -0.01 -0.59 -0.06 0.00 -1.51 0.00 0.00 54.79 52.63 1crr n ASP 105 Cb 0.14 -5.04 -0.03 0.00 2.34 0.00 0.00 41.12 38.53 1crr n ASP 105 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1crr s SER 106 N -4.06 -0.19 -0.89 1.67 0.01 -0.50 -5.00 113.70 104.75 1crr s SER 106 Ca 0.16 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 1crr s SER 106 Cb -0.07 0.17 0.24 0.00 0.21 0.00 0.00 66.02 66.58 1crr s SER 106 CO 0.72 -0.23 0.92 -0.67 0.41 0.00 0.00 173.24 174.38 1crr n ASP 107 N 0.28 4.56 -2.72 2.44 2.03 -1.26 -4.26 116.55 117.63 1crr n ASP 107 Ca -0.03 -3.25 -0.08 0.00 0.52 0.00 0.00 54.79 51.95 1crr n ASP 107 Cb 0.59 -1.02 0.10 0.00 -0.72 0.00 0.00 41.12 40.07 1crr n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1crr n ASP 108 N 1.81 -1.70 -4.92 1.67 2.03 -1.26 -5.13 116.55 109.05 1crr n ASP 108 Ca 0.24 -2.78 -0.31 0.00 0.52 0.00 0.00 54.79 52.46 1crr n ASP 108 Cb 0.37 1.08 -0.04 0.00 -0.72 0.00 0.00 41.12 41.81 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1crr s VAL 109 N -0.09 5.39 -1.10 5.18 1.01 -1.26 -4.99 120.40 124.55 1crr s VAL 109 Ca 0.23 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1crr s VAL 109 Cb 0.38 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1crr s VAL 109 CO -0.07 0.17 1.85 -2.16 0.00 0.00 0.00 175.10 174.89 1crr s PRO 110 N -2.41 2.89 0.51 2.72 0.05 -1.25 -4.93 135.00 132.57 1crr s PRO 110 Ca 0.34 -1.02 -0.09 0.00 0.05 0.00 0.00 61.00 60.27 1crr s PRO 110 Cb -0.13 -5.25 -0.05 0.00 0.05 0.00 0.00 34.50 29.12 1crr s PRO 110 CO 0.26 -3.30 0.87 1.41 0.05 0.00 0.00 177.00 176.29 1crr s MET 111 N 6.09 3.64 -0.31 4.56 1.75 -1.26 -2.84 119.30 130.93 1crr s MET 111 Ca 0.64 0.47 0.03 0.00 -1.25 0.00 0.00 55.69 55.58 1crr s MET 111 Cb -0.02 -2.28 0.17 0.00 2.84 0.00 0.00 34.83 35.54 1crr s MET 111 CO 0.05 -0.28 0.45 0.08 -0.65 0.00 0.00 175.02 174.68 1crr s VAL 112 N -2.78 -0.70 -0.48 10.11 1.01 -1.01 -4.34 120.40 122.21 1crr s VAL 112 Ca 0.51 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 1crr s VAL 112 Cb -0.10 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1crr s VAL 112 CO 0.44 -0.24 1.04 -0.22 0.00 0.00 0.00 175.10 176.11 1crr s LEU 113 N 2.43 3.80 0.25 3.92 2.96 -0.89 -0.85 118.68 130.30 1crr s LEU 113 Ca 0.11 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1crr s LEU 113 Cb -0.12 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 1crr s LEU 113 CO -0.25 -1.18 0.50 -0.69 -1.32 0.00 0.00 176.35 173.41 1crr s VAL 114 N 4.16 5.06 -0.82 1.68 1.01 -0.98 -2.05 120.40 128.47 1crr s VAL 114 Ca 0.42 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1crr s VAL 114 Cb -0.09 -3.70 0.30 0.00 0.00 0.00 0.00 36.38 32.89 1crr s VAL 114 CO 0.29 -0.21 1.20 0.61 0.00 0.00 0.00 175.10 176.98 1crr n GLY 115 N -0.64 5.36 3.54 4.51 0.00 0.17 -1.91 105.19 116.21 1crr n GLY 115 Ca -0.02 -2.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.00 1crr n GLY 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1crr s ASN 116 N -2.32 1.47 -1.03 1.61 2.47 -0.42 -1.34 114.94 115.38 1crr s ASN 116 Ca 0.39 1.57 -0.01 0.00 0.42 0.00 0.00 52.86 55.23 1crr s ASN 116 Cb 0.16 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 1crr s ASN 116 CO -0.03 -3.91 0.87 0.29 -3.72 0.00 0.00 177.10 170.60 1crr n LYS 117 N -4.72 -5.79 0.00 0.43 5.02 -0.26 -2.64 118.16 110.19 1crr n LYS 117 Ca 0.04 0.71 0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1crr n LYS 117 Cb 0.54 -5.33 0.27 0.00 -0.02 0.00 0.00 35.03 30.49 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1crr n ASP 119 N -1.26 6.92 -4.21 0.00 5.75 -1.26 -4.90 116.55 117.59 1crr n ASP 119 Ca 0.07 -3.34 -0.29 0.00 -0.01 0.00 0.00 54.79 51.22 1crr n ASP 119 Cb 0.34 -1.05 -0.16 0.00 -1.03 0.00 0.00 41.12 39.22 1crr n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1crr s LEU 120 N -2.58 2.00 0.03 -2.12 1.43 -1.26 -5.03 118.68 111.15 1crr s LEU 120 Ca 0.45 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 1crr s LEU 120 Cb 0.35 -1.22 -0.18 0.00 0.03 0.00 0.00 46.19 45.17 1crr s LEU 120 CO -0.04 0.19 1.49 0.00 0.23 0.00 0.00 176.35 178.23 1crr h ALA 121 N 6.26 -0.02 -2.25 4.21 0.00 -1.96 -3.41 119.26 122.09 1crr h ALA 121 Ca -0.30 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.93 1crr h ALA 121 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1crr h ALA 121 CO 0.47 -0.39 1.09 0.00 0.00 0.00 0.00 179.25 180.43 1crr s ALA 122 N -5.19 3.60 -0.23 0.00 0.00 -1.26 -4.98 121.76 113.70 1crr s ALA 122 Ca -0.15 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 1crr s ALA 122 Cb 0.04 -3.75 0.03 0.00 0.00 0.00 0.00 23.12 19.43 1crr s ALA 122 CO 0.66 -1.43 -0.11 0.50 0.00 0.00 0.00 175.76 175.38 1crr s ARG 123 N 4.08 2.80 -0.12 0.00 3.52 -1.26 -4.81 118.95 123.15 1crr s ARG 123 Ca 0.73 -0.99 -0.21 0.00 -0.13 0.00 0.00 55.73 55.13 1crr s ARG 123 Cb -0.33 -2.85 -0.26 0.00 -1.56 0.00 0.00 34.95 29.95 1crr s ARG 123 CO 0.29 -0.37 0.61 1.79 -0.81 0.00 0.00 175.30 176.82 1crr h THR 124 N 6.18 1.28 -3.42 4.11 1.35 -1.79 -3.45 112.91 117.16 1crr h THR 124 Ca -0.34 -2.37 -0.53 0.00 -0.55 0.00 0.00 66.41 62.61 1crr h THR 124 Cb 1.11 2.88 -0.01 0.00 -1.73 0.00 0.00 68.15 70.40 1crr h THR 124 CO 0.57 0.61 0.45 -0.69 -0.25 0.00 0.00 175.52 176.21 1crr s VAL 125 N -2.39 4.30 -0.35 6.82 1.01 -0.76 -4.93 120.40 124.10 1crr s VAL 125 Ca -0.20 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.52 1crr s VAL 125 Cb 0.02 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1crr s VAL 125 CO 0.73 0.21 2.64 -1.84 0.00 0.00 0.00 175.10 176.84 1crr n GLU 126 N 3.28 2.14 0.00 2.72 0.28 -1.26 -4.94 120.64 122.86 1crr n GLU 126 Ca 0.05 -1.89 0.00 0.00 -0.16 0.00 0.00 57.16 55.17 1crr n GLU 126 Cb 0.48 -1.94 0.00 0.00 1.43 0.00 0.00 31.44 31.41 1crr n GLU 126 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1crr n SER 127 N 0.94 0.00 -0.02 -1.84 7.64 -1.26 -3.60 113.62 115.48 1crr n SER 127 Ca 0.41 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.51 1crr n SER 127 Cb 0.60 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 64.31 1crr n SER 127 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1crr h ARG 128 N 0.00 0.00 0.05 1.43 9.65 -1.99 0.09 114.38 123.62 1crr h ARG 128 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1crr h ARG 128 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1crr h ARG 128 CO 0.00 0.00 -0.03 1.96 2.80 0.00 0.00 179.97 184.70 1crr h GLN 129 N 0.00 -0.07 -0.16 0.20 4.20 -1.94 -0.91 115.11 116.43 1crr h GLN 129 Ca 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1crr h GLN 129 Cb 2.11 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.89 1crr h GLN 129 CO -0.00 0.15 -0.06 0.00 -0.67 0.00 0.00 178.83 178.25 1crr h ALA 130 N 0.65 1.61 0.00 3.87 0.00 -1.31 -0.89 119.26 123.19 1crr h ALA 130 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1crr h ALA 130 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1crr h ALA 130 CO 0.01 0.28 -0.39 1.96 0.00 0.00 0.00 179.25 181.12 1crr h GLN 131 N 0.23 0.00 -0.03 0.00 1.08 -1.30 -1.94 115.11 113.15 1crr h GLN 131 Ca 0.05 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.09 1crr h GLN 131 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1crr h GLN 131 CO 0.01 0.39 -0.70 -0.44 -0.95 0.00 0.00 178.83 177.14 1crr h ASP 132 N 0.00 0.20 0.00 1.46 3.32 0.25 -2.57 116.42 119.07 1crr h ASP 132 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1crr h ASP 132 Cb 0.76 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1crr h ASP 132 CO 0.05 0.83 -0.14 0.25 -1.72 0.00 0.00 179.24 178.51 1crr h LEU 133 N 0.11 0.00 -0.58 1.55 5.85 -1.23 -3.20 115.31 117.81 1crr h LEU 133 Ca -0.02 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1crr h LEU 133 Cb 1.24 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 1crr h LEU 133 CO 0.10 0.39 0.17 0.00 -0.34 0.00 0.00 178.44 178.77 1crr h ALA 134 N -1.35 0.71 -0.33 1.25 0.00 -1.52 -0.43 119.26 117.58 1crr h ALA 134 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1crr h ALA 134 Cb 0.14 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1crr h ALA 134 CO 0.00 -0.25 0.19 -0.09 0.00 0.00 0.00 179.25 179.10 1crr h ARG 135 N 0.33 0.45 -0.30 0.00 2.43 -1.65 -0.77 114.38 114.86 1crr h ARG 135 Ca 0.29 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1crr h ARG 135 Cb 0.39 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1crr h ARG 135 CO -0.34 0.33 0.05 1.03 -1.51 0.00 0.00 179.97 179.53 1crr h SER 136 N 0.46 0.40 0.36 -3.80 0.87 -1.07 -1.86 113.55 108.91 1crr h SER 136 Ca 0.12 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1crr h SER 136 Cb 0.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1crr h SER 136 CO -0.02 0.43 -0.54 -1.22 -0.53 0.00 0.00 176.83 174.94 1crr n TYR 137 N -4.35 0.00 -2.90 2.24 4.01 -0.46 -4.96 117.16 110.74 1crr n TYR 137 Ca 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 1crr n TYR 137 Cb 0.19 -0.18 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.47 0.41 3.48 2.72 0.00 -0.42 -5.04 105.19 107.80 1crr n GLY 138 Ca 0.06 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.12 2.77 0.31 -0.61 -4.36 -0.98 -5.03 121.20 110.19 1crr s ILE 139 Ca 0.21 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.77 1crr s ILE 139 Cb -0.09 -2.27 -0.10 0.00 1.25 0.00 0.00 42.46 41.24 1crr s ILE 139 CO 0.27 0.09 1.42 -2.16 0.24 0.00 0.00 174.94 174.79 1crr s PRO 140 N -2.15 4.25 -0.11 0.37 0.04 -1.26 -4.48 135.00 131.66 1crr s PRO 140 Ca 0.18 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1crr s PRO 140 Cb -0.10 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1crr s PRO 140 CO 0.10 -0.38 -0.12 -0.47 0.04 0.00 0.00 177.00 176.17 1crr s TYR 141 N -0.69 2.82 0.10 0.56 5.04 -1.26 -2.10 117.35 121.83 1crr s TYR 141 Ca 0.54 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 1crr s TYR 141 Cb -0.43 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.08 1crr s TYR 141 CO 0.52 -0.05 0.06 -0.89 -1.34 0.00 0.00 175.55 173.85 1crr n ILE 142 N 3.14 0.00 -3.49 3.14 5.41 -0.87 -4.98 119.36 121.71 1crr n ILE 142 Ca -0.18 -0.69 -0.12 0.00 1.00 0.00 0.00 62.75 62.76 1crr n ILE 142 Cb 0.53 0.30 -0.11 0.00 -0.71 0.00 0.00 39.64 39.65 1crr n ILE 142 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1crr s GLU 143 N -2.41 0.26 0.48 0.38 2.02 -1.26 0.41 118.70 118.58 1crr s GLU 143 Ca 0.09 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.62 1crr s GLU 143 Cb 0.00 -0.51 -0.00 0.00 0.10 0.00 0.00 34.13 33.72 1crr s GLU 143 CO 0.06 -0.53 0.00 0.25 0.02 0.00 0.00 175.26 175.06 1crr n THR 144 N 5.35 0.00 -3.64 3.63 -2.24 -0.45 -4.34 114.28 112.60 1crr n THR 144 Ca -0.05 -2.28 -0.05 0.00 -2.27 0.00 0.00 64.05 59.40 1crr n THR 144 Cb 0.50 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 1crr n THR 144 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1crr s SER 145 N -3.65 -0.42 -0.14 3.42 0.15 0.22 -1.10 113.70 112.18 1crr s SER 145 Ca 0.00 0.73 0.05 0.00 0.70 0.00 0.00 55.95 57.43 1crr s SER 145 Cb 0.00 0.97 -0.23 0.00 -1.71 0.00 0.00 66.02 65.05 1crr s SER 145 CO 0.00 -0.12 0.28 0.00 1.20 0.00 0.00 173.24 174.61 1crr n ALA 146 N 2.92 1.27 0.23 5.45 0.00 -1.26 -1.68 120.51 127.44 1crr n ALA 146 Ca -0.15 -0.86 0.18 0.00 0.00 0.00 0.00 53.44 52.60 1crr n ALA 146 Cb 0.57 -0.53 0.87 0.00 0.00 0.00 0.00 19.45 20.35 1crr n ALA 146 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1crr h LYS 147 N 0.03 0.00 0.00 0.00 3.64 -1.94 -2.46 116.57 115.84 1crr h LYS 147 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1crr h LYS 147 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1crr h LYS 147 CO 0.04 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.47 1crr n THR 148 N -3.59 0.00 -3.34 1.00 -2.24 -1.26 -5.01 114.28 99.85 1crr n THR 148 Ca 0.01 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 1crr n THR 148 Cb 0.32 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1crr n ARG 149 N -0.75 -6.27 -4.41 -0.78 1.74 -0.67 -5.00 116.66 100.52 1crr n ARG 149 Ca 0.00 0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 57.45 1crr n ARG 149 Cb 0.00 -5.34 -0.15 0.00 -1.02 0.00 0.00 32.46 25.96 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 -5.73 3.26 0.00 5.56 2.00 -0.71 -4.55 119.66 119.50 1crr s GLN 150 Ca 0.30 -0.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.94 1crr s GLN 150 Cb -0.13 -2.70 0.00 0.00 0.80 0.00 0.00 33.01 30.98 1crr s GLN 150 CO 0.61 -0.01 0.00 0.41 -0.50 0.00 0.00 175.29 175.80 1crr n GLY 151 N 4.16 3.26 0.36 2.59 0.00 -1.26 -0.61 105.19 113.70 1crr n GLY 151 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.84 0.00 1.61 2.07 -1.81 0.17 116.25 119.12 1crr h VAL 152 Ca 0.00 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.22 1crr h VAL 152 Cb 0.00 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1crr h VAL 152 CO 0.00 0.06 -0.92 -0.33 0.02 0.00 0.00 177.57 176.40 1crr h GLU 153 N 0.31 0.00 0.00 1.57 5.08 -1.89 -2.98 114.58 116.67 1crr h GLU 153 Ca 0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1crr h GLU 153 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1crr h GLU 153 CO -0.07 0.92 -0.49 0.22 -1.00 0.00 0.00 179.01 178.58 1crr h ASP 154 N 0.00 0.00 0.00 1.42 1.82 -1.39 -2.28 116.42 115.99 1crr h ASP 154 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1crr h ASP 154 Cb 1.67 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.68 1crr h ASP 154 CO 0.12 0.49 -0.13 0.00 -1.61 0.00 0.00 179.24 178.12 1crr h ALA 155 N 1.51 0.02 -0.27 -0.78 0.00 -1.38 -2.81 119.26 115.56 1crr h ALA 155 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1crr h ALA 155 Cb 1.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1crr h ALA 155 CO 0.06 0.08 0.14 0.74 0.00 0.00 0.00 179.25 180.27 1crr h PHE 156 N -1.00 0.38 0.40 0.00 -1.00 -1.61 -1.19 116.94 112.92 1crr h PHE 156 Ca -0.03 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1crr h PHE 156 Cb 0.80 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1crr h PHE 156 CO 0.19 0.34 -0.19 1.88 -1.61 0.00 0.00 178.31 178.92 1crr h TYR 157 N 0.31 -0.49 -0.07 -0.55 -1.99 -1.57 -2.32 116.97 110.29 1crr h TYR 157 Ca 0.09 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.83 1crr h TYR 157 Cb 0.09 0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.99 1crr h TYR 157 CO -0.03 -0.23 0.11 1.15 -0.00 0.00 0.00 178.16 179.17 1crr h THR 158 N -0.67 0.32 -0.06 -2.88 2.02 -1.47 -1.66 112.91 108.49 1crr h THR 158 Ca -0.05 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1crr h THR 158 Cb 0.48 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1crr h THR 158 CO 0.09 0.00 -0.40 0.25 0.37 0.00 0.00 175.52 175.83 1crr h LEU 159 N 0.00 0.47 -1.52 2.58 6.46 -0.70 -2.85 115.31 119.75 1crr h LEU 159 Ca 0.03 -0.67 -0.05 0.00 -0.12 0.00 0.00 57.88 57.07 1crr h LEU 159 Cb 0.26 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1crr h LEU 159 CO -0.00 1.06 -0.24 0.58 -0.62 0.00 0.00 178.44 179.22 1crr h VAL 160 N -0.10 0.91 -0.23 1.05 2.07 -0.81 -2.83 116.25 116.32 1crr h VAL 160 Ca -0.03 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1crr h VAL 160 Cb 1.07 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1crr h VAL 160 CO 0.08 0.24 -0.37 0.03 0.02 0.00 0.00 177.57 177.57 1crr h ARG 161 N 0.00 0.66 -0.75 1.57 3.08 -1.39 -2.09 114.38 115.46 1crr h ARG 161 Ca -0.00 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1crr h ARG 161 Cb 0.52 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1crr h ARG 161 CO 0.03 1.02 0.38 0.93 -1.07 0.00 0.00 179.97 181.25 1crr h GLU 162 N 0.36 1.07 -0.25 0.04 4.39 -1.27 -2.32 114.58 116.60 1crr h GLU 162 Ca 0.02 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 1crr h GLU 162 Cb 0.97 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1crr h GLU 162 CO 0.09 0.82 -0.26 0.82 -1.16 0.00 0.00 179.01 179.31 1crr h ILE 163 N 1.04 1.27 -0.00 3.13 2.04 -1.48 -2.39 117.51 121.12 1crr h ILE 163 Ca 0.26 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1crr h ILE 163 Cb 0.09 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1crr h ILE 163 CO -0.04 0.41 0.00 -0.09 0.00 0.00 0.00 178.15 178.44 1crr h ARG 164 N 0.43 0.00 0.00 2.37 2.43 -0.80 -1.18 114.38 117.64 1crr h ARG 164 Ca 0.06 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.97 1crr h ARG 164 Cb 0.69 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1crr h ARG 164 CO 0.05 0.00 -1.05 0.37 -1.51 0.00 0.00 179.97 177.84 1crr h GLN 165 N 0.00 0.69 0.00 0.20 4.15 -1.33 -3.51 115.11 115.31 1crr h GLN 165 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.68 1crr h GLN 165 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1crr h GLN 165 CO -0.00 1.32 0.00 1.58 -1.93 0.00 0.00 178.83 179.80