#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 0.80 -0.17 1.12 2.01 -1.08 -4.99 115.64 113.33 1crr s THR 2 Ca 0.00 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 59.96 1crr s THR 2 Cb 0.00 -2.20 0.06 0.00 0.01 0.00 0.00 72.50 70.36 1crr s THR 2 CO 0.00 0.00 0.06 -0.70 -0.69 0.00 0.00 174.62 173.29 1crr s GLU 3 N -3.78 0.33 -0.06 4.92 2.12 -1.26 -2.30 118.70 118.67 1crr s GLU 3 Ca 0.13 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.30 1crr s GLU 3 Cb 0.01 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.54 1crr s GLU 3 CO 0.09 -0.63 -0.16 0.71 -0.54 0.00 0.00 175.26 174.73 1crr s TYR 4 N 2.01 1.72 -0.47 5.30 2.02 -1.11 -5.02 117.35 121.80 1crr s TYR 4 Ca 0.01 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.02 1crr s TYR 4 Cb -0.16 -1.19 0.10 0.00 -0.40 0.00 0.00 41.96 40.31 1crr s TYR 4 CO -0.08 -0.24 0.35 0.15 -1.57 0.00 0.00 175.55 174.16 1crr s LYS 5 N 0.33 2.66 0.36 -0.62 1.02 -1.26 -1.46 119.74 120.77 1crr s LYS 5 Ca -0.10 -1.62 -0.26 0.00 0.02 0.00 0.00 55.97 54.01 1crr s LYS 5 Cb -0.14 -3.97 -0.09 0.00 -0.52 0.00 0.00 37.83 33.11 1crr s LYS 5 CO 0.04 -1.13 1.14 -0.51 -0.92 0.00 0.00 175.35 173.97 1crr s LEU 6 N 1.46 4.30 -0.36 3.17 1.43 -0.25 -2.38 118.68 126.05 1crr s LEU 6 Ca 0.04 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.46 1crr s LEU 6 Cb -0.26 -3.91 0.11 0.00 0.03 0.00 0.00 46.19 42.16 1crr s LEU 6 CO 0.02 -0.49 0.14 -0.69 0.23 0.00 0.00 176.35 175.55 1crr s VAL 7 N -1.36 1.25 0.36 -1.59 1.01 0.45 -2.88 120.40 117.63 1crr s VAL 7 Ca 0.53 -1.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.34 1crr s VAL 7 Cb -0.30 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 1crr s VAL 7 CO 0.39 -0.74 1.00 -0.69 0.00 0.00 0.00 175.10 175.05 1crr s VAL 8 N 1.10 3.98 -0.27 2.92 1.01 -1.11 -1.76 120.40 126.27 1crr s VAL 8 Ca 0.13 1.57 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 1crr s VAL 8 Cb -0.20 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1crr s VAL 8 CO -0.14 0.06 0.69 0.68 0.00 0.00 0.00 175.10 176.39 1crr s VAL 9 N -1.65 -0.00 -1.81 2.92 -7.23 -1.13 -4.83 120.40 106.66 1crr s VAL 9 Ca 0.54 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 1crr s VAL 9 Cb -0.20 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1crr s VAL 9 CO 0.25 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1crr n GLY 10 N 3.39 -0.67 3.85 2.32 0.00 -1.26 -0.88 105.19 111.95 1crr n GLY 10 Ca -0.17 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 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 2.94 -0.58 4.61 0.00 -1.26 -4.98 121.76 121.49 1crr s ALA 11 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 1crr s ALA 11 Cb 0.00 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.05 1crr s ALA 11 CO 0.00 -0.89 0.98 0.20 0.00 0.00 0.00 175.76 176.05 1crr s GLY 12 N -4.04 1.36 0.00 0.00 0.00 -1.26 -3.46 107.32 99.92 1crr s GLY 12 Ca 0.56 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1crr s GLY 12 CO 0.54 2.11 0.00 0.61 0.00 0.00 0.00 173.10 176.37 1crr n GLY 13 N 5.16 1.36 0.31 0.20 0.00 -1.26 -4.98 105.19 105.98 1crr n GLY 13 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 0.61 0.00 1.61 -1.51 -1.96 -3.45 116.25 111.55 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 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 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 -1.42 1.97 0.11 5.19 0.00 -1.26 -4.59 105.19 105.20 1crr n GLY 15 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1crr n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1crr h LYS 16 N 0.00 -0.18 0.65 1.61 1.57 -1.89 -2.19 116.57 116.15 1crr h LYS 16 Ca 0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1crr h LYS 16 Cb 0.00 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1crr h LYS 16 CO 0.00 0.09 -0.31 0.77 -0.57 0.00 0.00 179.45 179.42 1crr h SER 17 N -0.43 -0.74 -1.01 0.86 0.02 -1.96 -2.31 113.55 107.98 1crr h SER 17 Ca -0.02 -0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.17 1crr h SER 17 Cb 0.34 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 62.98 1crr h SER 17 CO 0.03 -0.46 0.65 0.00 -1.14 0.00 0.00 176.83 175.91 1crr h ALA 18 N -0.70 2.12 -0.49 3.77 0.00 -1.82 0.27 119.26 122.41 1crr h ALA 18 Ca -0.09 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1crr h ALA 18 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1crr h ALA 18 CO 0.15 -0.51 0.01 -0.07 0.00 0.00 0.00 179.25 178.83 1crr h LEU 19 N 0.46 0.84 0.39 0.00 3.38 -1.18 -2.06 115.31 117.14 1crr h LEU 19 Ca 0.58 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1crr h LEU 19 Cb 1.36 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1crr h LEU 19 CO -0.30 0.93 -0.19 0.74 0.09 0.00 0.00 178.44 179.71 1crr h THR 20 N 0.72 0.00 -0.96 0.22 2.02 0.07 -2.64 112.91 112.33 1crr h THR 20 Ca 0.14 -0.01 0.28 0.00 0.77 0.00 0.00 66.41 67.59 1crr h THR 20 Cb 0.49 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1crr h THR 20 CO 0.02 0.00 0.78 0.40 0.37 0.00 0.00 175.52 177.09 1crr h ILE 21 N -0.54 0.37 0.10 3.11 5.03 -1.39 0.13 117.51 124.32 1crr h ILE 21 Ca -0.05 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1crr h ILE 21 Cb 0.40 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 1crr h ILE 21 CO 0.09 0.00 -0.05 -0.61 -0.68 0.00 0.00 178.15 176.90 1crr h GLN 22 N 0.00 -0.13 0.00 2.37 -0.00 -1.01 -1.99 115.11 114.34 1crr h GLN 22 Ca 0.46 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 59.10 1crr h GLN 22 Cb 2.01 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 29.51 1crr h GLN 22 CO -0.00 -0.01 -0.07 1.25 0.00 0.00 0.00 178.83 180.00 1crr h LEU 23 N -0.22 0.00 0.04 -2.39 5.85 -0.57 -3.28 115.31 114.74 1crr h LEU 23 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1crr h LEU 23 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1crr h LEU 23 CO 0.02 0.07 -0.02 0.40 -0.34 0.00 0.00 178.44 178.58 1crr h ILE 24 N 0.00 0.00 0.00 4.05 1.08 -1.00 -3.46 117.51 118.18 1crr h ILE 24 Ca -0.00 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1crr h ILE 24 Cb 0.74 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1crr h ILE 24 CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 1crr n GLN 25 N -2.59 0.00 0.00 2.37 6.02 -0.78 -5.07 117.38 117.33 1crr n GLN 25 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1crr n GLN 25 Cb 0.02 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.28 1crr n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1crr n ASN 26 N 0.00 0.00 -4.03 1.08 5.15 -1.24 -4.98 115.26 111.24 1crr n ASN 26 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1crr n ASN 26 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1crr s HIS 27 N 0.00 0.59 -0.23 1.20 -3.43 -1.26 -5.07 115.29 107.09 1crr s HIS 27 Ca 0.00 -0.94 -0.13 0.00 -0.80 0.00 0.00 55.06 53.19 1crr s HIS 27 Cb 0.00 -0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1crr s HIS 27 CO 0.00 -0.67 0.28 0.12 -2.00 0.00 0.00 174.74 172.47 1crr s PHE 28 N -4.01 3.33 -0.15 0.38 5.36 -1.26 -4.20 117.98 117.43 1crr s PHE 28 Ca 0.21 0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1crr s PHE 28 Cb 0.05 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1crr s PHE 28 CO 0.02 0.01 -0.00 0.14 -1.46 0.00 0.00 175.22 173.92 1crr s VAL 29 N 1.26 4.21 -0.22 3.12 -7.23 -1.26 -4.98 120.40 115.29 1crr s VAL 29 Ca 0.13 -0.25 0.15 0.00 -1.81 0.00 0.00 61.98 60.20 1crr s VAL 29 Cb -0.14 -2.85 0.74 0.00 0.56 0.00 0.00 36.38 34.70 1crr s VAL 29 CO 0.07 0.51 1.67 0.47 -0.31 0.00 0.00 175.10 177.50 1crr n ASP 30 N 3.27 5.24 0.00 4.85 8.00 -1.26 -4.64 116.55 132.00 1crr n ASP 30 Ca -0.17 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1crr n ASP 30 Cb 0.53 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1crr n GLU 31 N 0.30 0.00 -1.26 -1.24 0.28 -1.26 -5.04 120.64 112.42 1crr n GLU 31 Ca 0.26 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.99 1crr n GLU 31 Cb 1.12 0.00 0.03 0.00 1.43 0.00 0.00 31.44 34.03 1crr n GLU 31 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1crr n TYR 32 N 0.00 2.24 -2.98 -1.84 9.36 -1.26 -4.91 117.16 117.77 1crr n TYR 32 Ca 0.00 -2.33 -0.04 0.00 3.32 0.00 0.00 57.90 58.84 1crr n TYR 32 Cb 0.00 -1.22 0.00 0.00 -0.63 0.00 0.00 39.34 37.49 1crr n TYR 32 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1crr n ASP 33 N -0.04 -7.25 0.09 2.98 9.92 -1.26 -4.79 116.55 116.19 1crr n ASP 33 Ca 0.47 0.82 0.08 0.00 -0.53 0.00 0.00 54.79 55.62 1crr n ASP 33 Cb 0.56 -3.58 0.37 0.00 -0.64 0.00 0.00 41.12 37.83 1crr n ASP 33 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1crr n PRO 34 N 0.77 0.09 -0.84 -0.24 -0.04 -1.26 -2.51 135.00 130.96 1crr n PRO 34 Ca 0.00 0.49 -0.17 0.00 -0.04 0.00 0.00 63.50 63.78 1crr n PRO 34 Cb 0.30 -1.74 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.93 2.52 -4.40 0.52 -2.24 -1.26 -3.64 114.28 103.85 1crr n THR 35 Ca 0.01 -1.32 -0.28 0.00 -2.27 0.00 0.00 64.05 60.19 1crr n THR 35 Cb 0.10 -0.65 -0.17 0.00 -2.10 0.00 0.00 70.33 67.51 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 -2.27 1.37 -0.87 2.28 1.01 -1.05 -4.99 121.20 116.68 1crr s ILE 36 Ca 0.39 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1crr s ILE 36 Cb 0.33 -1.27 0.23 0.00 0.01 0.00 0.00 42.46 41.76 1crr s ILE 36 CO 0.07 0.42 0.81 1.21 0.00 0.00 0.00 174.94 177.45 1crr n GLU 37 N 4.24 2.70 -4.03 2.79 2.13 -1.26 -4.62 120.64 122.60 1crr n GLU 37 Ca -0.19 -4.51 -0.35 0.00 0.66 0.00 0.00 57.16 52.77 1crr n GLU 37 Cb 0.51 -2.39 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 1crr n GLU 37 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1crr s ASP 38 N -0.64 6.01 -0.55 4.31 -1.08 -1.26 -5.00 116.67 118.45 1crr s ASP 38 Ca 0.29 0.31 -0.28 0.00 -0.52 0.00 0.00 52.55 52.34 1crr s ASP 38 Cb -0.04 -1.84 0.03 0.00 -1.46 0.00 0.00 42.92 39.61 1crr s ASP 38 CO -0.10 0.34 1.18 -0.94 0.52 0.00 0.00 175.17 176.17 1crr s SER 39 N -1.36 6.50 0.65 -0.34 1.04 -1.26 -4.52 113.70 114.41 1crr s SER 39 Ca 0.19 0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.80 1crr s SER 39 Cb -0.12 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.51 1crr s SER 39 CO 0.09 -1.42 0.92 -0.31 0.98 0.00 0.00 173.24 173.50 1crr s TYR 40 N 4.81 2.73 0.00 5.02 2.02 -0.37 -4.94 117.35 126.62 1crr s TYR 40 Ca 0.44 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1crr s TYR 40 Cb -0.07 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 1crr s TYR 40 CO 0.27 -1.25 0.00 2.89 -1.57 0.00 0.00 175.55 175.89 1crr n ARG 41 N -2.69 0.00 -3.80 -0.62 1.85 -1.26 -0.57 116.66 109.56 1crr n ARG 41 Ca 0.09 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.82 1crr n ARG 41 Cb 0.60 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.93 1crr n ARG 41 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1crr s LYS 42 N -2.00 0.69 -0.63 2.89 2.47 -1.16 -4.89 119.74 117.11 1crr s LYS 42 Ca 0.00 -0.45 0.01 0.00 -1.56 0.00 0.00 55.97 53.97 1crr s LYS 42 Cb 0.00 0.29 0.40 0.00 -1.46 0.00 0.00 37.83 37.06 1crr s LYS 42 CO 0.00 -0.20 1.64 0.00 0.16 0.00 0.00 175.35 176.96 1crr n GLN 43 N 0.92 3.06 -0.36 4.03 10.64 -1.26 -2.15 117.38 132.26 1crr n GLN 43 Ca -0.20 -3.87 -0.31 0.00 -1.83 0.00 0.00 57.00 50.79 1crr n GLN 43 Cb 0.58 -2.27 0.29 0.00 -0.86 0.00 0.00 30.24 27.98 1crr n GLN 43 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1crr s VAL 44 N -5.13 1.13 -0.30 -0.39 -7.23 -1.26 -4.58 120.40 102.64 1crr s VAL 44 Ca 0.53 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1crr s VAL 44 Cb 0.43 -2.07 0.07 0.00 0.56 0.00 0.00 36.38 35.37 1crr s VAL 44 CO -0.23 0.00 -0.02 -0.69 -0.31 0.00 0.00 175.10 173.85 1crr s VAL 45 N -2.26 2.46 -0.19 1.32 1.01 -1.26 -2.59 120.40 118.89 1crr s VAL 45 Ca 0.69 -1.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 1crr s VAL 45 Cb -0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1crr s VAL 45 CO 0.57 -0.24 0.16 -0.63 0.00 0.00 0.00 175.10 174.96 1crr s ILE 46 N 1.09 5.40 -1.46 2.22 1.01 -0.49 -4.30 121.20 124.67 1crr s ILE 46 Ca -0.02 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 1crr s ILE 46 Cb -0.20 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1crr s ILE 46 CO -0.05 0.44 0.90 0.47 0.00 0.00 0.00 174.94 176.70 1crr n ASP 47 N 3.46 -6.27 -2.23 3.58 8.00 -1.26 -1.37 116.55 120.46 1crr n ASP 47 Ca -0.16 -0.41 -0.19 0.00 0.71 0.00 0.00 54.79 54.74 1crr n ASP 47 Cb 0.52 -4.99 -0.00 0.00 -0.02 0.00 0.00 41.12 36.62 1crr n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1crr n GLY 48 N -1.77 -0.41 2.82 0.44 0.00 -1.26 -4.97 105.19 100.03 1crr n GLY 48 Ca -0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.02 0.03 0.39 1.61 2.56 -0.47 -5.12 118.70 112.69 1crr s GLU 49 Ca 0.03 0.52 -0.27 0.00 0.00 0.00 0.00 54.97 55.25 1crr s GLU 49 Cb -0.01 -0.36 -0.10 0.00 2.00 0.00 0.00 34.13 35.66 1crr s GLU 49 CO 0.04 -0.33 1.44 0.99 -0.56 0.00 0.00 175.26 176.83 1crr s THR 50 N 2.28 2.18 -0.17 -1.70 2.01 -1.26 -1.39 115.64 117.60 1crr s THR 50 Ca 0.03 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 1crr s THR 50 Cb -0.12 -3.11 0.08 0.00 0.01 0.00 0.00 72.50 69.36 1crr s THR 50 CO -0.06 0.04 0.25 0.00 -0.69 0.00 0.00 174.62 174.16 1crr s LEU 52 N 2.38 3.33 -0.73 0.00 2.96 -0.97 -4.30 118.68 121.34 1crr s LEU 52 Ca 0.05 0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 54.34 1crr s LEU 52 Cb -0.14 -2.52 0.12 0.00 0.50 0.00 0.00 46.19 44.15 1crr s LEU 52 CO -0.10 -2.55 0.86 -0.76 -1.32 0.00 0.00 176.35 172.48 1crr s LEU 53 N 10.12 5.36 -0.51 -0.68 1.43 -0.91 -2.74 118.68 130.75 1crr s LEU 53 Ca 0.77 -1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 51.88 1crr s LEU 53 Cb -0.14 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1crr s LEU 53 CO 0.22 -1.07 1.94 -0.62 0.23 0.00 0.00 176.35 177.05 1crr s ASP 54 N 3.43 5.31 -0.32 2.29 -1.08 -0.53 -2.97 116.67 122.80 1crr s ASP 54 Ca 0.19 0.76 -0.17 0.00 -0.52 0.00 0.00 52.55 52.81 1crr s ASP 54 Cb -0.16 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.76 1crr s ASP 54 CO 0.00 -2.26 0.46 -0.63 0.52 0.00 0.00 175.17 173.26 1crr s ILE 55 N 8.95 5.08 -0.44 4.11 1.01 0.26 -1.09 121.20 139.09 1crr s ILE 55 Ca 0.76 0.45 -0.10 0.00 0.00 0.00 0.00 60.65 61.76 1crr s ILE 55 Cb -0.16 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.53 1crr s ILE 55 CO 0.25 -0.07 0.30 -0.22 0.00 0.00 0.00 174.94 175.21 1crr s LEU 56 N 2.26 5.33 0.37 2.97 2.96 -1.14 -1.24 118.68 130.19 1crr s LEU 56 Ca 0.17 -1.53 0.20 0.00 -0.22 0.00 0.00 54.13 52.75 1crr s LEU 56 Cb -0.16 -2.03 0.37 0.00 0.50 0.00 0.00 46.19 44.87 1crr s LEU 56 CO 0.12 -0.58 1.59 -0.78 -1.32 0.00 0.00 176.35 175.37 1crr h ASP 57 N 8.48 0.00 -3.24 3.68 3.58 -1.90 -2.93 116.42 124.09 1crr h ASP 57 Ca -0.24 0.00 0.35 0.00 0.42 0.00 0.00 57.03 57.56 1crr h ASP 57 Cb 1.09 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.00 1crr h ASP 57 CO 0.80 0.29 -0.86 0.35 -2.88 0.00 0.00 179.24 176.94 1crr n THR 58 N -3.22 -0.03 -3.40 2.25 -2.24 -1.26 -4.84 114.28 101.54 1crr n THR 58 Ca 0.02 0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 62.24 1crr n THR 58 Cb 0.60 -0.93 0.01 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.27 -0.85 -2.38 6.98 0.00 -1.26 -4.89 120.51 114.84 1crr n ALA 59 Ca -0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 1crr n ALA 59 Cb 0.67 0.39 -0.15 0.00 0.00 0.00 0.00 19.45 20.36 1crr n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1crr s GLY 60 N -2.03 1.22 0.10 0.00 0.00 -1.24 -5.01 107.32 100.37 1crr s GLY 60 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1crr s GLY 60 CO 0.04 -0.97 0.00 -1.06 0.00 0.00 0.00 173.10 171.11 1crr n GLN 61 N 2.14 0.00 -1.90 2.90 1.13 -1.26 -4.48 117.38 115.90 1crr n GLN 61 Ca -0.16 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1crr n GLN 61 Cb 0.52 -0.29 -0.00 0.00 0.11 0.00 0.00 30.24 30.58 1crr n GLN 61 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1crr n GLU 62 N -3.17 0.01 -0.49 -1.09 0.28 -1.26 -5.14 120.64 109.78 1crr n GLU 62 Ca 0.00 -0.05 -0.25 0.00 -0.16 0.00 0.00 57.16 56.70 1crr n GLU 62 Cb 0.14 0.05 0.20 0.00 1.43 0.00 0.00 31.44 33.25 1crr n GLU 62 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1crr n GLU 63 N -0.01 -2.72 0.00 3.44 1.02 -1.26 -4.74 120.64 116.36 1crr n GLU 63 Ca 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1crr n GLU 63 Cb 0.01 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1crr n GLU 63 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1crr n TYR 64 N -4.78 -0.82 -3.28 -0.32 0.18 -1.26 -4.83 117.16 102.05 1crr n TYR 64 Ca 0.06 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.79 1crr n TYR 64 Cb 0.49 0.05 -0.05 0.00 -0.38 0.00 0.00 39.34 39.44 1crr n TYR 64 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1crr s SER 65 N -4.00 -0.32 0.03 9.48 1.04 -1.26 -4.94 113.70 113.73 1crr s SER 65 Ca 0.00 0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.91 1crr s SER 65 Cb 0.00 1.48 -0.03 0.00 0.10 0.00 0.00 66.02 67.57 1crr s SER 65 CO 0.00 -0.29 -0.11 0.00 0.98 0.00 0.00 173.24 173.82 1crr s ALA 66 N 2.65 2.86 0.00 5.32 0.00 -1.26 -4.35 121.76 126.98 1crr s ALA 66 Ca 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1crr s ALA 66 Cb -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1crr s ALA 66 CO -0.18 0.60 0.00 -0.12 0.00 0.00 0.00 175.76 176.06 1crr n MET 67 N 1.42 0.00 -0.14 0.00 1.56 -1.26 -4.61 117.12 114.10 1crr n MET 67 Ca -0.15 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.27 1crr n MET 67 Cb 0.52 0.00 0.23 0.00 2.15 0.00 0.00 33.22 36.13 1crr n MET 67 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1crr h ARG 68 N 0.00 0.84 -0.46 2.12 2.43 -1.96 -1.45 114.38 115.89 1crr h ARG 68 Ca 0.00 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1crr h ARG 68 Cb 0.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1crr h ARG 68 CO 0.00 0.67 0.03 0.22 -1.51 0.00 0.00 179.97 179.38 1crr h ASP 69 N 0.83 0.71 -0.55 -3.80 3.58 -1.81 -2.19 116.42 113.18 1crr h ASP 69 Ca 0.20 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1crr h ASP 69 Cb 0.13 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1crr h ASP 69 CO -0.02 0.76 0.23 1.56 -2.88 0.00 0.00 179.24 178.89 1crr h GLN 70 N 0.70 0.86 0.00 0.28 4.20 -1.63 -1.52 115.11 118.00 1crr h GLN 70 Ca 0.14 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1crr h GLN 70 Cb 0.39 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1crr h GLN 70 CO 0.01 0.71 -0.49 -0.92 -0.67 0.00 0.00 178.83 177.47 1crr h TYR 71 N 0.85 0.00 0.00 2.96 3.20 -1.04 -2.01 116.97 120.93 1crr h TYR 71 Ca 0.20 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1crr h TYR 71 Cb 0.17 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1crr h TYR 71 CO 0.01 0.49 -0.00 0.52 -1.64 0.00 0.00 178.16 177.54 1crr h MET 72 N 0.00 0.00 0.02 1.82 2.86 -0.73 -1.08 114.93 117.82 1crr h MET 72 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.27 1crr h MET 72 Cb 0.89 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.50 1crr h MET 72 CO 0.06 0.00 -2.24 -2.13 1.06 0.00 0.00 176.91 173.67 1crr n ARG 73 N -3.13 0.68 0.01 1.72 0.00 -0.81 -4.51 116.66 110.62 1crr n ARG 73 Ca -0.02 0.14 -0.02 0.00 -0.00 0.00 0.00 57.85 57.95 1crr n ARG 73 Cb 0.11 -1.60 -0.01 0.00 0.00 0.00 0.00 32.46 30.96 1crr n ARG 73 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1crr h THR 74 N 0.01 0.00 -2.58 5.15 1.35 -0.92 -3.47 112.91 112.45 1crr h THR 74 Ca -0.49 -0.86 -0.39 0.00 -0.55 0.00 0.00 66.41 64.12 1crr h THR 74 Cb 2.05 0.00 0.21 0.00 -1.73 0.00 0.00 68.15 68.68 1crr h THR 74 CO 0.01 0.00 -0.47 0.61 -0.25 0.00 0.00 175.52 175.41 1crr n GLY 75 N 1.46 -2.70 0.00 5.82 0.00 -0.46 -4.99 105.19 104.32 1crr n GLY 75 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.61 0.10 -2.54 1.61 4.71 -1.00 -4.92 120.64 114.99 1crr n GLU 76 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.80 1crr n GLU 76 Cb 0.55 -0.58 -0.05 0.00 -1.01 0.00 0.00 31.44 30.36 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 -2.85 3.03 -0.33 0.62 0.00 -1.07 -4.19 107.32 102.53 1crr s GLY 77 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.55 1crr s GLY 77 CO 0.00 1.38 0.07 -1.36 0.00 0.00 0.00 173.10 173.19 1crr s PHE 78 N -1.24 2.89 -1.27 1.90 0.40 -1.15 -0.41 117.98 119.10 1crr s PHE 78 Ca 0.46 -2.47 -0.15 0.00 -0.60 0.00 0.00 56.93 54.16 1crr s PHE 78 Cb -0.29 -2.41 0.12 0.00 0.51 0.00 0.00 43.02 40.94 1crr s PHE 78 CO 0.37 -0.92 1.65 -0.11 0.70 0.00 0.00 175.22 176.91 1crr n LEU 79 N 4.50 5.26 -4.56 -0.37 7.94 -0.72 -0.94 117.00 128.11 1crr n LEU 79 Ca 0.01 -4.20 -0.25 0.00 -1.11 0.00 0.00 56.01 50.46 1crr n LEU 79 Cb 0.42 -1.67 -0.05 0.00 0.53 0.00 0.00 43.42 42.64 1crr n LEU 79 CO 0.18 0.52 1.35 0.00 -1.11 0.00 0.00 177.39 178.32 1crr n VAL 81 N 7.97 1.60 -3.14 0.00 0.31 -0.06 -2.08 118.33 122.92 1crr n VAL 81 Ca 0.41 -0.26 0.02 0.00 -0.01 0.00 0.00 64.34 64.50 1crr n VAL 81 Cb 0.47 -0.95 -0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 -2.11 -1.57 0.61 3.52 5.36 0.19 -4.54 117.98 119.44 1crr s PHE 82 Ca 0.68 0.50 -0.19 0.00 -0.96 0.00 0.00 56.93 56.95 1crr s PHE 82 Cb -0.29 0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.64 1crr s PHE 82 CO 0.56 -1.01 1.31 0.00 -1.46 0.00 0.00 175.22 174.62 1crr s ALA 83 N 2.23 2.53 -0.35 11.12 0.00 -1.26 -1.12 121.76 134.92 1crr s ALA 83 Ca 0.15 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1crr s ALA 83 Cb -0.05 -3.55 0.47 0.00 0.00 0.00 0.00 23.12 19.99 1crr s ALA 83 CO -0.15 -1.49 1.40 0.44 0.00 0.00 0.00 175.76 175.96 1crr n ILE 84 N -1.60 2.69 0.00 0.00 -6.64 -0.58 -4.34 119.36 108.89 1crr n ILE 84 Ca 0.14 -3.59 0.00 0.00 -1.77 0.00 0.00 62.75 57.53 1crr n ILE 84 Cb 0.47 -0.87 0.00 0.00 -1.44 0.00 0.00 39.64 37.80 1crr n ILE 84 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1crr n ASN 85 N -0.88 1.36 -0.01 7.28 5.15 -1.26 -3.16 115.26 123.74 1crr n ASN 85 Ca 0.42 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.30 1crr n ASN 85 Cb 0.91 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 40.02 1crr n ASN 85 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1crr h ASN 86 N 0.00 0.08 0.00 1.20 7.08 -1.97 -3.39 115.58 118.58 1crr h ASN 86 Ca 0.00 -0.15 0.00 0.00 -3.08 0.00 0.00 56.30 53.07 1crr h ASN 86 Cb 0.46 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 1crr h ASN 86 CO 0.00 1.14 0.00 0.41 -2.08 0.00 0.00 177.43 176.90 1crr n THR 87 N -3.15 0.00 0.25 6.14 -1.04 -1.26 -4.82 114.28 110.40 1crr n THR 87 Ca -0.17 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.92 1crr n THR 87 Cb 1.04 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 70.18 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 1.30 0.00 -0.33 -2.82 3.11 -1.93 -0.80 116.57 115.10 1crr h LYS 88 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1crr h LYS 88 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1crr h LYS 88 CO 0.00 0.09 -0.14 0.77 -2.81 0.00 0.00 179.45 177.36 1crr h SER 89 N 0.00 0.56 -0.02 4.20 0.02 -1.88 -1.07 113.55 115.36 1crr h SER 89 Ca -0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1crr h SER 89 Cb 0.18 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1crr h SER 89 CO 0.01 0.73 0.01 0.15 -1.14 0.00 0.00 176.83 176.60 1crr h PHE 90 N 0.52 0.03 0.00 3.45 3.57 -1.39 -0.52 116.94 122.60 1crr h PHE 90 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1crr h PHE 90 Cb 0.55 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1crr h PHE 90 CO 0.02 0.08 -0.08 0.93 -2.23 0.00 0.00 178.31 177.03 1crr h GLU 91 N -0.03 0.00 0.00 1.11 5.08 -1.36 -1.58 114.58 117.80 1crr h GLU 91 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1crr h GLU 91 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1crr h GLU 91 CO -0.00 0.08 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.14 1crr h ASP 92 N 0.00 0.00 1.29 1.42 5.19 0.15 -3.11 116.42 121.35 1crr h ASP 92 Ca -0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1crr h ASP 92 Cb 0.32 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1crr h ASP 92 CO 0.01 0.51 -0.67 0.40 -3.12 0.00 0.00 179.24 176.37 1crr h ILE 93 N 0.00 1.16 -0.99 0.35 1.08 -0.13 -1.33 117.51 117.66 1crr h ILE 93 Ca -0.01 -2.60 0.02 0.00 -0.39 0.00 0.00 64.86 61.88 1crr h ILE 93 Cb 1.24 2.55 -0.05 0.00 -3.07 0.00 0.00 36.82 37.49 1crr h ILE 93 CO 0.07 0.66 0.65 -0.74 -0.69 0.00 0.00 178.15 178.09 1crr h HIS 94 N 0.00 1.23 0.00 1.37 2.76 -1.42 -2.12 115.15 116.97 1crr h HIS 94 Ca -0.01 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 1crr h HIS 94 Cb 1.49 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 1crr h HIS 94 CO 0.00 0.75 -2.00 1.04 -1.30 0.00 0.00 177.93 176.42 1crr n GLN 95 N -4.42 0.66 0.27 5.26 6.02 -1.23 -4.18 117.38 119.76 1crr n GLN 95 Ca 0.12 -0.10 0.16 0.00 -0.01 0.00 0.00 57.00 57.17 1crr n GLN 95 Cb 0.04 -1.56 0.60 0.00 1.02 0.00 0.00 30.24 30.34 1crr n GLN 95 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1crr h TYR 96 N 0.00 0.00 -0.51 1.08 -1.99 -1.11 -2.68 116.97 111.76 1crr h TYR 96 Ca -0.15 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.44 1crr h TYR 96 Cb 1.36 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 40.00 1crr h TYR 96 CO 0.00 0.02 0.18 0.54 -0.00 0.00 0.00 178.16 178.90 1crr n ARG 97 N -3.12 2.98 0.00 4.88 1.74 -0.81 -3.82 116.66 118.51 1crr n ARG 97 Ca 0.01 -2.14 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 1crr n ARG 97 Cb 0.35 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1crr n ARG 97 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1crr n GLU 98 N 0.01 0.00 0.26 5.56 -0.58 -1.01 -4.55 120.64 120.33 1crr n GLU 98 Ca 0.28 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.13 1crr n GLU 98 Cb 1.07 -0.65 0.72 0.00 -0.57 0.00 0.00 31.44 32.00 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 0.00 0.00 -0.41 3.49 4.15 -1.69 -0.05 115.11 120.59 1crr h GLN 99 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 1crr h GLN 99 Cb 0.90 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1crr h GLN 99 CO 0.00 0.08 -0.28 0.82 -1.93 0.00 0.00 178.83 177.52 1crr h ILE 100 N 0.00 1.27 0.00 2.39 2.04 -1.83 -1.23 117.51 120.16 1crr h ILE 100 Ca -0.00 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 1crr h ILE 100 Cb 0.17 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1crr h ILE 100 CO 0.01 0.48 -0.23 0.11 0.00 0.00 0.00 178.15 178.52 1crr h LYS 101 N 0.75 0.00 0.61 2.37 6.56 -1.25 -2.47 116.57 123.14 1crr h LYS 101 Ca 0.09 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.65 1crr h LYS 101 Cb 0.84 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.51 1crr h LYS 101 CO 0.07 0.23 -0.29 -0.09 -2.06 0.00 0.00 179.45 177.31 1crr h ARG 102 N 0.00 -0.79 0.09 3.15 2.43 -0.08 0.42 114.38 119.60 1crr h ARG 102 Ca -0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1crr h ARG 102 Cb 0.53 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1crr h ARG 102 CO 0.03 -0.50 -0.09 0.28 -1.51 0.00 0.00 179.97 178.18 1crr h VAL 103 N -1.17 0.00 0.00 0.20 2.07 -1.25 -1.81 116.25 114.29 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 0.66 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1crr h VAL 103 CO 0.14 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.84 1crr h LYS 104 N -0.18 0.00 -5.83 1.57 1.79 -1.59 -3.46 116.57 108.87 1crr h LYS 104 Ca -0.01 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.08 1crr h LYS 104 Cb 0.16 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 30.94 1crr h LYS 104 CO -0.01 0.00 -0.74 -3.47 -1.08 0.00 0.00 179.45 174.15 1crr n ASP 105 N -2.54 -3.95 -3.57 0.86 -0.08 0.14 -4.98 116.55 102.43 1crr n ASP 105 Ca -0.00 -0.62 -0.10 0.00 -1.51 0.00 0.00 54.79 52.56 1crr n ASP 105 Cb 0.14 -4.89 -0.04 0.00 2.34 0.00 0.00 41.12 38.67 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 -3.85 -0.35 -0.95 1.67 0.01 -0.69 -5.00 113.70 104.53 1crr s SER 106 Ca 0.29 0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 1crr s SER 106 Cb -0.13 0.30 0.26 0.00 0.21 0.00 0.00 66.02 66.66 1crr s SER 106 CO 0.75 -0.37 1.02 -0.90 0.41 0.00 0.00 173.24 174.15 1crr n ASP 107 N 0.54 4.97 -2.70 2.44 5.75 -1.26 -4.34 116.55 121.95 1crr n ASP 107 Ca -0.09 -3.23 -0.07 0.00 -0.01 0.00 0.00 54.79 51.39 1crr n ASP 107 Cb 0.59 -1.12 0.09 0.00 -1.03 0.00 0.00 41.12 39.65 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 1.90 -1.83 -4.94 -1.12 -0.08 -1.26 -5.14 116.55 104.08 1crr n ASP 108 Ca 0.24 -2.62 -0.24 0.00 -1.51 0.00 0.00 54.79 50.67 1crr n ASP 108 Cb 0.37 1.30 -0.01 0.00 2.34 0.00 0.00 41.12 45.12 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 0.17 4.85 -1.47 5.18 1.01 -1.26 -4.96 120.40 123.92 1crr s VAL 109 Ca 0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 1crr s VAL 109 Cb 0.30 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1crr s VAL 109 CO -0.08 -0.53 2.60 -0.81 0.00 0.00 0.00 175.10 176.29 1crr n PRO 110 N -1.88 3.96 -1.12 2.72 -0.05 -1.26 -4.96 135.00 132.41 1crr n PRO 110 Ca -0.03 -2.81 -0.31 0.00 -0.05 0.00 0.00 63.50 60.30 1crr n PRO 110 Cb 0.56 -2.79 0.11 0.00 -0.05 0.00 0.00 33.50 31.34 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 0.89 1.87 -0.28 0.54 -1.94 -1.26 -2.92 119.30 116.19 1crr s MET 111 Ca 0.60 1.36 0.01 0.00 -1.71 0.00 0.00 55.69 55.95 1crr s MET 111 Cb 0.17 -1.84 0.16 0.00 2.01 0.00 0.00 34.83 35.34 1crr s MET 111 CO -0.07 -1.97 0.44 0.08 -0.01 0.00 0.00 175.02 173.49 1crr s VAL 112 N -2.70 -0.70 -0.46 -6.03 1.01 -0.11 -4.23 120.40 107.18 1crr s VAL 112 Ca 0.65 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 1crr s VAL 112 Cb -0.20 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1crr s VAL 112 CO 0.55 -0.20 1.04 -0.22 0.00 0.00 0.00 175.10 176.27 1crr s LEU 113 N 2.60 3.81 -0.17 3.92 2.96 -0.95 -1.12 118.68 129.74 1crr s LEU 113 Ca 0.11 0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 54.28 1crr s LEU 113 Cb -0.13 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1crr s LEU 113 CO -0.26 -1.15 0.09 -0.69 -1.32 0.00 0.00 176.35 173.03 1crr s VAL 114 N 4.11 5.10 -1.09 1.68 1.01 -0.88 -2.33 120.40 127.99 1crr s VAL 114 Ca 0.43 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 1crr s VAL 114 Cb -0.09 -3.28 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1crr s VAL 114 CO 0.29 0.49 1.36 -0.83 0.00 0.00 0.00 175.10 176.41 1crr s GLY 115 N 0.01 1.99 0.74 4.51 0.00 -0.69 -0.64 107.32 113.25 1crr s GLY 115 Ca 0.08 -2.95 -0.11 0.00 0.00 0.00 0.00 44.72 41.73 1crr s GLY 115 CO 0.00 2.20 1.08 0.21 0.00 0.00 0.00 173.10 176.59 1crr s ASN 116 N 3.57 5.00 -0.64 1.64 3.04 -0.27 -0.79 114.94 126.48 1crr s ASN 116 Ca 0.41 1.40 -0.02 0.00 0.04 0.00 0.00 52.86 54.69 1crr s ASN 116 Cb -0.02 -2.21 0.00 0.00 -1.54 0.00 0.00 41.25 37.48 1crr s ASN 116 CO -0.04 -1.66 0.55 1.17 -3.04 0.00 0.00 177.10 174.08 1crr n LYS 117 N -3.24 -3.65 -1.05 0.43 4.81 -0.30 -1.53 118.16 113.63 1crr n LYS 117 Ca 0.07 0.43 -0.14 0.00 -0.87 0.00 0.00 58.31 57.80 1crr n LYS 117 Cb 0.55 -4.21 0.22 0.00 0.02 0.00 0.00 35.03 31.61 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1crr n ASP 119 N -0.87 5.96 -3.17 0.00 5.75 -1.26 -4.99 116.55 117.98 1crr n ASP 119 Ca 0.47 -3.77 -0.19 0.00 -0.01 0.00 0.00 54.79 51.30 1crr n ASP 119 Cb 1.43 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 40.85 1crr n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1crr n LEU 120 N -0.76 0.00 -0.11 -2.12 -0.00 -1.26 -5.09 117.00 107.67 1crr n LEU 120 Ca 0.50 -3.08 -0.24 0.00 -0.00 0.00 0.00 56.01 53.20 1crr n LEU 120 Cb 0.81 1.78 -0.11 0.00 -0.00 0.00 0.00 43.42 45.90 1crr n LEU 120 CO 0.53 -0.54 -0.83 0.00 -0.00 0.00 0.00 177.39 176.56 1crr n ALA 121 N -0.74 0.93 -1.74 1.47 0.00 -1.26 -4.87 120.51 114.30 1crr n ALA 121 Ca -0.12 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1crr n ALA 121 Cb 0.59 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1crr n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1crr s ALA 122 N -2.42 3.77 -0.32 0.00 0.00 -1.26 -4.96 121.76 116.57 1crr s ALA 122 Ca -0.31 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.08 1crr s ALA 122 Cb 0.09 -3.75 0.10 0.00 0.00 0.00 0.00 23.12 19.56 1crr s ALA 122 CO 0.58 -1.19 0.10 1.03 0.00 0.00 0.00 175.76 176.28 1crr s ARG 123 N 2.58 0.78 0.22 0.00 0.52 -1.26 -4.82 118.95 116.97 1crr s ARG 123 Ca 0.80 -1.16 -0.01 0.00 -0.52 0.00 0.00 55.73 54.84 1crr s ARG 123 Cb -0.46 -2.08 0.22 0.00 0.52 0.00 0.00 34.95 33.15 1crr s ARG 123 CO 0.36 -0.99 1.59 1.79 0.02 0.00 0.00 175.30 178.07 1crr h THR 124 N 6.46 1.30 -3.03 0.02 1.35 -1.74 -3.41 112.91 113.85 1crr h THR 124 Ca -0.12 -1.57 -0.62 0.00 -0.55 0.00 0.00 66.41 63.55 1crr h THR 124 Cb 1.01 1.55 -0.09 0.00 -1.73 0.00 0.00 68.15 68.90 1crr h THR 124 CO 0.47 0.49 -0.38 -0.69 -0.25 0.00 0.00 175.52 175.17 1crr s VAL 125 N -4.25 5.33 -0.39 6.82 1.01 -1.24 -4.99 120.40 122.70 1crr s VAL 125 Ca -0.07 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.41 1crr s VAL 125 Cb 0.12 -3.55 0.63 0.00 0.00 0.00 0.00 36.38 33.58 1crr s VAL 125 CO 0.82 0.50 1.78 -1.84 0.00 0.00 0.00 175.10 176.36 1crr n GLU 126 N 2.74 2.26 0.00 2.72 0.00 -1.26 -4.98 120.64 122.11 1crr n GLU 126 Ca -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 57.16 53.94 1crr n GLU 126 Cb 0.53 -2.08 0.00 0.00 0.00 0.00 0.00 31.44 29.89 1crr n GLU 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1crr n SER 127 N -1.06 0.00 -0.33 -1.84 2.88 -1.26 -4.50 113.62 107.51 1crr n SER 127 Ca 0.50 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.20 1crr n SER 127 Cb 1.46 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 65.27 1crr n SER 127 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1crr h ARG 128 N 0.00 0.49 -0.86 -1.46 9.65 -1.99 0.63 114.38 120.84 1crr h ARG 128 Ca 0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1crr h ARG 128 Cb 0.00 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1crr h ARG 128 CO 0.00 0.32 0.48 -0.56 2.80 0.00 0.00 179.97 183.01 1crr h GLN 129 N 0.50 1.18 0.00 0.20 3.07 -1.97 -0.88 115.11 117.21 1crr h GLN 129 Ca 0.60 -0.13 -0.08 0.00 0.09 0.00 0.00 58.65 59.13 1crr h GLN 129 Cb 1.14 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 1crr h GLN 129 CO -0.50 0.86 -0.40 0.00 0.09 0.00 0.00 178.83 178.88 1crr h ALA 130 N 1.33 1.12 0.00 0.06 0.00 -1.27 -2.51 119.26 117.99 1crr h ALA 130 Ca 0.30 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1crr h ALA 130 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1crr h ALA 130 CO -0.05 0.50 -0.49 1.96 0.00 0.00 0.00 179.25 181.17 1crr h GLN 131 N 0.00 0.00 0.00 0.00 4.20 -0.35 -1.86 115.11 117.10 1crr h GLN 131 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1crr h GLN 131 Cb 0.83 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1crr h GLN 131 CO 0.05 0.49 -0.80 -0.44 -0.67 0.00 0.00 178.83 177.46 1crr h ASP 132 N 0.00 0.00 0.95 1.46 5.19 -0.87 -1.86 116.42 121.29 1crr h ASP 132 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 1crr h ASP 132 Cb 1.06 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.54 1crr h ASP 132 CO 0.06 0.77 -1.12 0.25 -3.12 0.00 0.00 179.24 176.09 1crr h LEU 133 N 0.00 0.00 0.01 1.55 5.85 -1.35 -3.31 115.31 118.05 1crr h LEU 133 Ca -0.02 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.41 1crr h LEU 133 Cb 1.60 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 1crr h LEU 133 CO 0.10 0.65 -1.72 0.00 -0.34 0.00 0.00 178.44 177.13 1crr h ALA 134 N 1.35 0.74 -0.22 1.25 0.00 -1.40 -3.35 119.26 117.63 1crr h ALA 134 Ca -0.11 -1.45 -0.03 0.00 0.00 0.00 0.00 54.91 53.31 1crr h ALA 134 Cb 1.59 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1crr h ALA 134 CO 0.07 1.56 -0.02 0.00 0.00 0.00 0.00 179.25 180.86 1crr h ARG 135 N 0.01 0.33 -0.44 0.00 3.08 -1.47 -0.86 114.38 115.03 1crr h ARG 135 Ca -0.29 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 1crr h ARG 135 Cb 2.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 1crr h ARG 135 CO 0.08 0.37 0.10 1.03 -1.07 0.00 0.00 179.97 180.48 1crr h SER 136 N 0.32 0.60 1.04 7.04 0.87 -1.69 -2.15 113.55 119.59 1crr h SER 136 Ca 0.07 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1crr h SER 136 Cb 0.25 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1crr h SER 136 CO 0.01 0.61 -0.58 1.88 -0.53 0.00 0.00 176.83 178.21 1crr h TYR 137 N 0.64 0.00 -0.85 2.24 -1.99 -1.49 -3.48 116.97 112.04 1crr h TYR 137 Ca 0.14 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 1crr h TYR 137 Cb 0.25 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.99 1crr h TYR 137 CO 0.01 0.00 -0.05 0.41 -0.00 0.00 0.00 178.16 178.53 1crr n GLY 138 N 1.29 0.60 3.47 3.88 0.00 -0.41 -5.06 105.19 108.96 1crr n GLY 138 Ca 0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.59 2.85 0.53 -0.61 -4.36 -1.00 -4.97 121.20 111.05 1crr s ILE 139 Ca 0.02 -1.21 -0.21 0.00 -0.26 0.00 0.00 60.65 59.00 1crr s ILE 139 Cb -0.01 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 1crr s ILE 139 CO 0.03 0.31 1.24 -2.16 0.24 0.00 0.00 174.94 174.60 1crr s PRO 140 N -1.54 3.30 -0.08 0.37 0.04 -1.26 -4.50 135.00 131.34 1crr s PRO 140 Ca 0.15 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1crr s PRO 140 Cb -0.11 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1crr s PRO 140 CO 0.06 -0.97 -0.20 -0.47 0.04 0.00 0.00 177.00 175.45 1crr s TYR 141 N -1.48 2.58 0.00 0.56 5.04 -1.26 -2.23 117.35 120.57 1crr s TYR 141 Ca 0.71 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1crr s TYR 141 Cb -0.33 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.31 1crr s TYR 141 CO 0.39 -0.16 0.00 -0.89 -1.34 0.00 0.00 175.55 173.54 1crr n ILE 142 N 3.02 0.00 -3.21 3.14 5.41 -0.98 -5.00 119.36 121.73 1crr n ILE 142 Ca -0.18 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.57 1crr n ILE 142 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.43 1crr n ILE 142 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1crr s GLU 143 N -0.25 0.50 0.53 0.38 2.56 -1.26 -1.70 118.70 119.46 1crr s GLU 143 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 54.97 55.46 1crr s GLU 143 Cb 0.00 0.07 0.01 0.00 2.00 0.00 0.00 34.13 36.21 1crr s GLU 143 CO 0.00 -0.98 0.13 0.95 -0.56 0.00 0.00 175.26 174.81 1crr s THR 144 N 2.73 1.22 -0.24 -1.70 -4.23 0.03 -4.53 115.64 108.91 1crr s THR 144 Ca 0.11 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 1crr s THR 144 Cb -0.12 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 71.74 1crr s THR 144 CO -0.26 0.00 0.60 -0.55 -0.54 0.00 0.00 174.62 173.86 1crr s SER 145 N -4.03 -0.75 -0.06 3.99 0.15 -0.32 -1.15 113.70 111.53 1crr s SER 145 Ca 0.12 1.28 0.09 0.00 0.70 0.00 0.00 55.95 58.13 1crr s SER 145 Cb -0.00 1.19 0.37 0.00 -1.71 0.00 0.00 66.02 65.87 1crr s SER 145 CO 0.07 -0.22 1.19 0.00 1.20 0.00 0.00 173.24 175.48 1crr n ALA 146 N 3.84 2.83 -0.25 5.45 0.00 -1.26 -3.32 120.51 127.81 1crr n ALA 146 Ca -0.19 -0.80 0.07 0.00 0.00 0.00 0.00 53.44 52.52 1crr n ALA 146 Cb 0.57 -1.02 0.20 0.00 0.00 0.00 0.00 19.45 19.20 1crr n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1crr n LYS 147 N 0.44 2.85 -0.50 0.00 4.81 -1.26 -4.68 118.16 119.82 1crr n LYS 147 Ca 0.13 -2.24 -0.01 0.00 -0.87 0.00 0.00 58.31 55.32 1crr n LYS 147 Cb 0.52 -1.37 -0.01 0.00 0.02 0.00 0.00 35.03 34.20 1crr n LYS 147 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1crr n THR 148 N 0.81 0.00 -2.86 3.15 5.66 -1.25 -4.98 114.28 114.81 1crr n THR 148 Ca 0.15 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.01 1crr n THR 148 Cb 0.49 0.08 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.72 -3.15 1.09 1.74 -1.23 -4.87 116.66 107.51 1crr n ARG 149 Ca -0.05 0.39 -0.45 0.00 -0.77 0.00 0.00 57.85 56.97 1crr n ARG 149 Cb 0.29 -5.00 -0.04 0.00 -1.02 0.00 0.00 32.46 26.69 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 -5.45 3.17 0.00 5.56 2.00 -1.21 -4.18 119.66 119.55 1crr s GLN 150 Ca 0.17 -1.58 0.00 0.00 -2.00 0.00 0.00 55.36 51.95 1crr s GLN 150 Cb -0.09 -4.36 0.00 0.00 0.80 0.00 0.00 33.01 29.36 1crr s GLN 150 CO 0.21 -1.51 0.00 0.41 -0.50 0.00 0.00 175.29 173.90 1crr n GLY 151 N 5.11 2.56 0.40 2.59 0.00 -1.26 -1.17 105.19 113.42 1crr n GLY 151 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 0.70 0.03 1.61 2.07 -1.83 0.04 116.25 118.87 1crr h VAL 152 Ca 0.00 -0.11 -0.21 0.00 0.82 0.00 0.00 66.70 67.20 1crr h VAL 152 Cb 0.00 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1crr h VAL 152 CO 0.00 0.06 -0.96 -0.33 0.02 0.00 0.00 177.57 176.35 1crr h GLU 153 N 0.31 0.15 0.00 1.57 5.08 -1.92 -2.96 114.58 116.82 1crr h GLU 153 Ca 0.41 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1crr h GLU 153 Cb 1.13 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1crr h GLU 153 CO -0.12 1.00 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.30 1crr h ASP 154 N 0.07 0.00 0.00 1.42 5.19 -1.43 -2.71 116.42 118.96 1crr h ASP 154 Ca -0.05 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 1crr h ASP 154 Cb 1.64 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.14 1crr h ASP 154 CO 0.14 0.15 -0.37 0.00 -3.12 0.00 0.00 179.24 176.05 1crr h ALA 155 N 1.85 0.05 -0.47 3.45 0.00 -1.35 -2.83 119.26 119.95 1crr h ALA 155 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1crr h ALA 155 Cb 1.01 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1crr h ALA 155 CO 0.02 0.27 0.26 0.74 0.00 0.00 0.00 179.25 180.54 1crr h PHE 156 N -1.00 0.62 0.20 0.00 0.04 -1.65 -1.56 116.94 113.59 1crr h PHE 156 Ca -0.06 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1crr h PHE 156 Cb 0.56 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1crr h PHE 156 CO 0.00 0.44 -0.10 1.88 -0.60 0.00 0.00 178.31 179.94 1crr h TYR 157 N 0.65 -0.25 -0.01 -0.55 -1.99 -1.64 -2.98 116.97 110.20 1crr h TYR 157 Ca 0.17 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1crr h TYR 157 Cb 0.02 0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 1crr h TYR 157 CO 0.00 0.14 0.10 1.15 -0.00 0.00 0.00 178.16 179.55 1crr h THR 158 N -0.91 0.06 0.19 -2.88 2.02 -1.42 -2.28 112.91 107.69 1crr h THR 158 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1crr h THR 158 Cb 0.50 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1crr h THR 158 CO 0.04 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 176.09 1crr h LEU 159 N 0.00 -0.22 -2.14 2.58 6.46 -1.24 -2.33 115.31 118.43 1crr h LEU 159 Ca 0.01 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1crr h LEU 159 Cb 0.20 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1crr h LEU 159 CO -0.00 0.31 -0.01 0.58 -0.62 0.00 0.00 178.44 178.70 1crr h VAL 160 N -1.01 0.84 0.00 1.05 2.07 -1.34 -0.84 116.25 117.02 1crr h VAL 160 Ca -0.03 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1crr h VAL 160 Cb 0.37 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1crr h VAL 160 CO 0.04 0.01 -0.76 -0.09 0.02 0.00 0.00 177.57 176.79 1crr h ARG 161 N 0.00 0.00 -0.00 1.57 2.43 -1.48 -3.11 114.38 113.79 1crr h ARG 161 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1crr h ARG 161 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1crr h ARG 161 CO 0.00 0.76 -0.82 1.49 -1.51 0.00 0.00 179.97 179.89 1crr h GLU 162 N 0.00 0.11 -0.36 0.20 4.81 -0.59 -2.42 114.58 116.33 1crr h GLU 162 Ca -0.01 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 1crr h GLU 162 Cb 1.41 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1crr h GLU 162 CO 0.10 0.86 -0.30 0.82 -0.73 0.00 0.00 179.01 179.76 1crr h ILE 163 N 0.06 1.28 -0.02 2.32 2.04 -1.39 -3.00 117.51 118.81 1crr h ILE 163 Ca -0.03 -1.45 -0.20 0.00 1.00 0.00 0.00 64.86 64.19 1crr h ILE 163 Cb 1.43 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1crr h ILE 163 CO 0.12 0.48 -0.84 0.03 0.00 0.00 0.00 178.15 177.93 1crr h ARG 164 N 0.65 0.29 -1.00 2.37 2.47 -1.53 -3.21 114.38 114.41 1crr h ARG 164 Ca 0.07 -0.29 0.22 0.00 -1.26 0.00 0.00 59.98 58.73 1crr h ARG 164 Cb 0.83 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 29.12 1crr h ARG 164 CO 0.07 0.98 0.62 0.37 0.56 0.00 0.00 179.97 182.57 1crr h GLN 165 N 0.17 0.59 0.00 0.04 -0.00 -1.28 -3.52 115.11 111.11 1crr h GLN 165 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1crr h GLN 165 Cb 1.45 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.80 1crr h GLN 165 CO 0.14 0.39 0.00 1.58 0.00 0.00 0.00 178.83 180.93