#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crr n THR 2 N 0.00 -0.10 -3.65 1.12 -1.04 -1.26 -3.97 114.28 105.37 1crr n THR 2 Ca 0.00 0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 62.34 1crr n THR 2 Cb 0.00 -0.95 -0.16 0.00 -1.82 0.00 0.00 70.33 67.40 1crr n THR 2 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1crr s GLU 3 N -3.29 0.03 0.13 -2.82 2.12 -1.26 -2.53 118.70 111.09 1crr s GLU 3 Ca 0.00 0.50 0.06 0.00 0.36 0.00 0.00 54.97 55.89 1crr s GLU 3 Cb 0.00 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 1crr s GLU 3 CO 0.00 -0.35 0.02 0.71 -0.54 0.00 0.00 175.26 175.11 1crr s TYR 4 N 2.28 2.97 -0.35 5.30 1.51 -1.11 -5.02 117.35 122.93 1crr s TYR 4 Ca 0.03 -0.06 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1crr s TYR 4 Cb -0.12 -1.48 0.08 0.00 -0.11 0.00 0.00 41.96 40.32 1crr s TYR 4 CO -0.06 0.50 0.10 0.15 -1.11 0.00 0.00 175.55 175.13 1crr s LYS 5 N -2.66 2.26 0.76 -0.62 1.02 -1.26 -2.26 119.74 116.98 1crr s LYS 5 Ca 0.27 -1.50 -0.11 0.00 0.02 0.00 0.00 55.97 54.64 1crr s LYS 5 Cb -0.11 -3.40 0.05 0.00 -0.52 0.00 0.00 37.83 33.86 1crr s LYS 5 CO 0.19 -0.83 1.09 -0.51 -0.92 0.00 0.00 175.35 174.38 1crr s LEU 6 N 1.22 2.73 -0.30 3.17 1.43 -0.57 -1.57 118.68 124.79 1crr s LEU 6 Ca 0.01 1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1crr s LEU 6 Cb -0.21 -3.97 0.13 0.00 0.03 0.00 0.00 46.19 42.17 1crr s LEU 6 CO -0.02 -1.74 0.28 -0.69 0.23 0.00 0.00 176.35 174.41 1crr s VAL 7 N -3.21 -0.35 0.10 -1.59 1.01 0.24 -2.66 120.40 113.94 1crr s VAL 7 Ca 0.60 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1crr s VAL 7 Cb -0.13 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 1crr s VAL 7 CO 0.54 -0.51 0.82 -0.69 0.00 0.00 0.00 175.10 175.25 1crr s VAL 8 N 2.25 4.56 -0.10 2.92 1.01 -1.14 -1.74 120.40 128.16 1crr s VAL 8 Ca 0.10 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 1crr s VAL 8 Cb -0.14 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1crr s VAL 8 CO -0.31 0.40 0.23 0.68 0.00 0.00 0.00 175.10 176.10 1crr s VAL 9 N -0.35 -0.04 0.05 2.92 -7.23 -1.14 -4.72 120.40 109.90 1crr s VAL 9 Ca 0.40 0.15 -0.26 0.00 -1.81 0.00 0.00 61.98 60.46 1crr s VAL 9 Cb -0.22 -0.36 0.09 0.00 0.56 0.00 0.00 36.38 36.45 1crr s VAL 9 CO 0.26 0.06 1.20 -0.83 -0.31 0.00 0.00 175.10 175.48 1crr s GLY 10 N 1.22 -0.04 1.44 2.32 0.00 -1.26 -0.94 107.32 110.07 1crr s GLY 10 Ca -0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.29 1crr s GLY 10 CO -0.08 4.56 0.92 0.00 0.00 0.00 0.00 173.10 178.50 1crr s ALA 11 N -2.06 -0.77 -0.62 3.20 0.00 -1.26 -4.93 121.76 115.33 1crr s ALA 11 Ca 0.27 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1crr s ALA 11 Cb -0.01 -2.92 0.15 0.00 0.00 0.00 0.00 23.12 20.33 1crr s ALA 11 CO 0.01 -4.67 0.59 0.20 0.00 0.00 0.00 175.76 171.89 1crr s GLY 12 N -3.18 2.20 0.00 0.00 0.00 -1.26 -4.13 107.32 100.95 1crr s GLY 12 Ca 0.69 -2.70 0.00 0.00 0.00 0.00 0.00 44.72 42.70 1crr s GLY 12 CO 0.57 1.25 0.00 0.61 0.00 0.00 0.00 173.10 175.54 1crr n GLY 13 N 4.95 1.68 0.13 0.20 0.00 -1.26 -5.01 105.19 105.89 1crr n GLY 13 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 1.46 0.00 1.61 -1.51 -1.95 -3.47 116.25 112.39 1crr h VAL 14 Ca 0.00 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.25 1crr h VAL 14 Cb 0.00 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1crr h VAL 14 CO 0.00 0.64 0.00 0.61 -1.23 0.00 0.00 177.57 177.59 1crr n GLY 15 N 0.34 1.78 0.28 5.19 0.00 -1.26 -4.68 105.19 106.84 1crr n GLY 15 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 0.11 0.88 0.00 1.61 2.10 -1.93 -2.76 116.57 116.58 1crr h LYS 16 Ca 0.00 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1crr h LYS 16 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1crr h LYS 16 CO 0.00 0.94 0.00 0.43 -2.00 0.00 0.00 179.45 178.82 1crr n SER 17 N -4.16 0.00 -0.51 7.07 7.64 -1.26 -2.23 113.62 120.17 1crr n SER 17 Ca 0.02 0.82 0.43 0.00 1.01 0.00 0.00 58.87 61.15 1crr n SER 17 Cb 0.37 -0.36 0.77 0.00 -1.01 0.00 0.00 64.21 63.98 1crr n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1crr h ALA 18 N -2.00 3.39 0.23 -0.43 0.00 -1.96 0.41 119.26 118.91 1crr h ALA 18 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1crr h ALA 18 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1crr h ALA 18 CO 0.00 -1.87 -0.11 -0.07 0.00 0.00 0.00 179.25 177.20 1crr h LEU 19 N 0.02 -0.27 -0.96 0.00 3.38 -1.34 -1.93 115.31 114.22 1crr h LEU 19 Ca 0.76 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.70 1crr h LEU 19 Cb 2.96 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 43.71 1crr h LEU 19 CO -0.07 -0.07 0.61 0.74 0.09 0.00 0.00 178.44 179.75 1crr h THR 20 N -0.45 1.10 -0.92 0.22 2.02 0.23 -1.11 112.91 114.01 1crr h THR 20 Ca -0.03 -0.39 0.16 0.00 0.77 0.00 0.00 66.41 66.91 1crr h THR 20 Cb 0.34 -0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 66.54 1crr h THR 20 CO 0.05 0.21 0.59 0.40 0.37 0.00 0.00 175.52 177.14 1crr h ILE 21 N 1.14 0.80 -0.50 3.11 1.08 -0.66 0.59 117.51 123.07 1crr h ILE 21 Ca 0.40 -0.23 -0.07 0.00 -0.39 0.00 0.00 64.86 64.57 1crr h ILE 21 Cb 0.11 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.90 1crr h ILE 21 CO -0.16 0.12 0.04 -0.61 -0.69 0.00 0.00 178.15 176.86 1crr h GLN 22 N 0.68 0.86 0.00 2.37 4.15 -0.44 0.42 115.11 123.14 1crr h GLN 22 Ca 0.47 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1crr h GLN 22 Cb 0.80 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1crr h GLN 22 CO -0.23 0.87 0.00 -0.11 -1.93 0.00 0.00 178.83 177.44 1crr n LEU 23 N -4.36 0.65 0.00 -2.39 0.00 0.13 -1.27 117.00 109.77 1crr n LEU 23 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 56.01 56.71 1crr n LEU 23 Cb 0.29 -0.63 0.00 0.00 0.00 0.00 0.00 43.42 43.08 1crr n LEU 23 CO 0.41 -0.64 0.00 -0.38 0.00 0.00 0.00 177.39 176.78 1crr n ILE 24 N -2.25 0.00 0.62 1.96 2.08 -0.73 -4.77 119.36 116.27 1crr n ILE 24 Ca 0.01 0.30 0.12 0.00 0.56 0.00 0.00 62.75 63.75 1crr n ILE 24 Cb 0.19 -1.28 0.21 0.00 -0.75 0.00 0.00 39.64 38.02 1crr n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1crr n GLN 25 N -2.28 0.26 -2.47 0.38 1.13 0.05 -4.94 117.38 109.51 1crr n GLN 25 Ca 0.00 0.09 -0.15 0.00 -1.94 0.00 0.00 57.00 55.00 1crr n GLN 25 Cb 0.00 -1.68 0.01 0.00 0.11 0.00 0.00 30.24 28.67 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 -2.07 -4.59 -4.32 1.08 4.13 -0.40 -4.98 115.26 104.11 1crr n ASN 26 Ca 0.04 -0.08 -0.28 0.00 1.68 0.00 0.00 54.58 55.93 1crr n ASN 26 Cb 0.43 -3.63 -0.14 0.00 -1.54 0.00 0.00 39.78 34.90 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 -2.83 2.12 -0.66 3.10 -3.43 -1.25 -4.93 115.29 107.41 1crr s HIS 27 Ca 0.08 -0.40 -0.26 0.00 -0.80 0.00 0.00 55.06 53.69 1crr s HIS 27 Cb -0.04 -1.23 0.04 0.00 -1.43 0.00 0.00 32.58 29.93 1crr s HIS 27 CO 0.10 0.18 1.14 0.12 -2.00 0.00 0.00 174.74 174.27 1crr s PHE 28 N -0.91 2.51 0.00 0.38 5.36 -1.26 -4.16 117.98 119.90 1crr s PHE 28 Ca 0.11 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 1crr s PHE 28 Cb -0.10 -4.44 0.00 0.00 -0.34 0.00 0.00 43.02 38.14 1crr s PHE 28 CO 0.03 -1.78 0.00 1.55 -1.46 0.00 0.00 175.22 173.56 1crr n VAL 29 N 6.30 0.00 0.00 3.12 3.14 -1.26 -5.00 118.33 124.63 1crr n VAL 29 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1crr n VAL 29 Cb 0.48 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 1crr n VAL 29 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1crr n ASP 30 N -0.51 0.00 -2.67 6.55 -0.08 -1.26 -5.00 116.55 113.58 1crr n ASP 30 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1crr n ASP 30 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 1crr n ASP 30 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1crr n GLU 31 N 0.00 3.39 -2.55 -0.67 1.02 -1.26 -5.04 120.64 115.54 1crr n GLU 31 Ca 0.00 -4.47 -0.42 0.00 -0.02 0.00 0.00 57.16 52.25 1crr n GLU 31 Cb 0.00 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.13 1crr n GLU 31 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1crr s TYR 32 N -3.63 3.32 -0.23 -0.32 5.04 -1.26 -4.94 117.35 115.33 1crr s TYR 32 Ca 0.48 1.36 -0.31 0.00 -2.44 0.00 0.00 57.07 56.17 1crr s TYR 32 Cb 0.37 -3.33 -0.08 0.00 0.35 0.00 0.00 41.96 39.27 1crr s TYR 32 CO -0.21 -0.90 2.17 -0.25 -1.34 0.00 0.00 175.55 175.03 1crr n ASP 33 N 5.10 3.01 0.00 4.32 9.92 -1.26 -4.81 116.55 132.83 1crr n ASP 33 Ca 0.10 0.37 0.05 0.00 -0.53 0.00 0.00 54.79 54.78 1crr n ASP 33 Cb 0.47 -1.46 0.22 0.00 -0.64 0.00 0.00 41.12 39.72 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 8.35 0.01 0.00 -0.24 -0.04 -1.26 -2.63 135.00 139.20 1crr n PRO 34 Ca 0.32 0.31 -0.09 0.00 -0.04 0.00 0.00 63.50 64.01 1crr n PRO 34 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1crr n PRO 34 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1crr h THR 35 N 0.00 1.09 -3.39 0.52 1.35 -1.87 -2.93 112.91 107.69 1crr h THR 35 Ca 0.00 -2.90 -0.53 0.00 -0.55 0.00 0.00 66.41 62.43 1crr h THR 35 Cb 0.17 2.55 0.08 0.00 -1.73 0.00 0.00 68.15 69.22 1crr h THR 35 CO 0.00 0.63 0.88 -0.63 -0.25 0.00 0.00 175.52 176.15 1crr s ILE 36 N -2.63 2.07 -0.22 6.82 1.01 -1.08 -4.81 121.20 122.36 1crr s ILE 36 Ca -0.03 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1crr s ILE 36 Cb 0.08 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.58 1crr s ILE 36 CO 0.82 0.01 0.55 -0.70 0.00 0.00 0.00 174.94 175.63 1crr s GLU 37 N -0.65 0.59 0.00 2.79 2.12 -1.26 -3.80 118.70 118.49 1crr s GLU 37 Ca 0.62 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1crr s GLU 37 Cb -0.48 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.07 1crr s GLU 37 CO 0.49 -0.12 0.00 -3.47 -0.54 0.00 0.00 175.26 171.62 1crr n ASP 38 N 3.69 0.00 -3.68 -1.70 2.03 -1.26 -5.00 116.55 110.63 1crr n ASP 38 Ca -0.18 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.12 1crr n ASP 38 Cb 0.57 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 1crr n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1crr s SER 39 N 2.00 -0.12 -0.28 1.67 1.04 -1.26 -4.65 113.70 112.10 1crr s SER 39 Ca 0.00 -0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.14 1crr s SER 39 Cb 0.00 0.32 0.17 0.00 0.10 0.00 0.00 66.02 66.61 1crr s SER 39 CO 0.00 -0.60 0.55 -0.31 0.98 0.00 0.00 173.24 173.86 1crr s TYR 40 N -2.85 -1.38 0.55 5.02 2.02 -0.98 -4.86 117.35 114.87 1crr s TYR 40 Ca 0.13 1.55 0.06 0.00 -0.37 0.00 0.00 57.07 58.44 1crr s TYR 40 Cb 0.02 0.45 0.05 0.00 -0.40 0.00 0.00 41.96 42.07 1crr s TYR 40 CO -0.01 -0.81 0.45 1.03 -1.57 0.00 0.00 175.55 174.63 1crr s ARG 41 N 2.78 2.25 -0.30 -0.62 0.52 -1.26 -1.66 118.95 120.66 1crr s ARG 41 Ca 0.16 -1.99 -0.16 0.00 -0.52 0.00 0.00 55.73 53.21 1crr s ARG 41 Cb -0.15 -2.15 0.20 0.00 0.52 0.00 0.00 34.95 33.37 1crr s ARG 41 CO -0.19 -0.66 1.21 0.21 0.02 0.00 0.00 175.30 175.89 1crr s LYS 42 N -4.33 0.11 -1.24 3.54 2.47 -1.13 -4.93 119.74 114.23 1crr s LYS 42 Ca 0.36 0.20 -0.11 0.00 -1.56 0.00 0.00 55.97 54.86 1crr s LYS 42 Cb -0.03 0.04 0.18 0.00 -1.46 0.00 0.00 37.83 36.57 1crr s LYS 42 CO 0.23 -0.03 1.62 0.94 0.16 0.00 0.00 175.35 178.28 1crr n GLN 43 N 3.48 3.52 -2.77 4.03 7.27 -1.26 -2.70 117.38 128.95 1crr n GLN 43 Ca -0.15 -3.75 -0.22 0.00 0.07 0.00 0.00 57.00 52.95 1crr n GLN 43 Cb 0.56 -2.96 0.08 0.00 2.41 0.00 0.00 30.24 30.33 1crr n GLN 43 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1crr s VAL 44 N 0.84 2.24 0.23 1.69 -7.23 -1.26 -4.92 120.40 111.99 1crr s VAL 44 Ca 0.41 -0.77 0.09 0.00 -1.81 0.00 0.00 61.98 59.90 1crr s VAL 44 Cb 0.03 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1crr s VAL 44 CO 0.00 0.00 0.01 -0.69 -0.31 0.00 0.00 175.10 174.11 1crr s VAL 45 N -2.89 3.58 -0.60 1.32 1.01 -1.26 -3.17 120.40 118.39 1crr s VAL 45 Ca 0.63 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1crr s VAL 45 Cb -0.06 -2.88 0.39 0.00 0.00 0.00 0.00 36.38 33.83 1crr s VAL 45 CO 0.41 -0.28 1.46 -0.38 0.00 0.00 0.00 175.10 176.31 1crr n ILE 46 N -0.64 2.88 -2.23 2.22 2.08 -1.19 -4.84 119.36 117.64 1crr n ILE 46 Ca -0.08 -4.71 -0.20 0.00 0.56 0.00 0.00 62.75 58.32 1crr n ILE 46 Cb 0.58 -1.26 -0.03 0.00 -0.75 0.00 0.00 39.64 38.18 1crr n ILE 46 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1crr n ASP 47 N -0.50 -5.58 0.00 4.38 8.00 -1.26 -4.80 116.55 116.79 1crr n ASP 47 Ca 0.45 0.11 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1crr n ASP 47 Cb 0.49 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 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 -0.86 2.56 0.99 0.44 0.00 -1.26 -5.15 105.19 101.92 1crr n GLY 48 Ca -0.23 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -2.80 -2.67 1.61 2.13 -1.26 -4.98 120.64 112.67 1crr n GLU 49 Ca 0.00 2.04 -0.26 0.00 0.66 0.00 0.00 57.16 59.60 1crr n GLU 49 Cb 0.00 -2.27 0.01 0.00 0.27 0.00 0.00 31.44 29.46 1crr n GLU 49 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1crr s THR 50 N -1.97 4.31 -0.27 6.31 2.01 -1.26 -3.17 115.64 121.60 1crr s THR 50 Ca 0.00 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1crr s THR 50 Cb 0.00 -3.65 0.08 0.00 0.01 0.00 0.00 72.50 68.94 1crr s THR 50 CO 0.00 -0.60 0.65 0.00 -0.69 0.00 0.00 174.62 173.99 1crr s LEU 52 N 1.57 4.36 -0.41 0.00 2.96 -1.05 -4.17 118.68 121.93 1crr s LEU 52 Ca -0.10 2.44 -0.03 0.00 -0.22 0.00 0.00 54.13 56.22 1crr s LEU 52 Cb -0.05 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.17 1crr s LEU 52 CO -0.18 -0.78 0.21 -0.76 -1.32 0.00 0.00 176.35 173.52 1crr s LEU 53 N 1.73 5.27 -0.94 -0.68 1.43 -1.10 -2.73 118.68 121.67 1crr s LEU 53 Ca 0.69 -2.04 -0.21 0.00 -1.03 0.00 0.00 54.13 51.54 1crr s LEU 53 Cb -0.39 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.09 1crr s LEU 53 CO 0.31 -0.55 1.23 -0.62 0.23 0.00 0.00 176.35 176.95 1crr s ASP 54 N 1.84 6.53 -0.07 2.29 -1.08 -0.96 -2.82 116.67 122.41 1crr s ASP 54 Ca 0.08 -1.71 -0.26 0.00 -0.52 0.00 0.00 52.55 50.14 1crr s ASP 54 Cb -0.23 -2.47 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 1crr s ASP 54 CO -0.04 -1.27 0.84 -0.63 0.52 0.00 0.00 175.17 174.58 1crr s ILE 55 N 3.70 4.94 -0.41 4.11 1.01 -0.67 -1.51 121.20 132.37 1crr s ILE 55 Ca 0.37 1.72 -0.23 0.00 0.00 0.00 0.00 60.65 62.51 1crr s ILE 55 Cb -0.04 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1crr s ILE 55 CO -0.07 0.16 0.78 -0.22 0.00 0.00 0.00 174.94 175.59 1crr s LEU 56 N 1.20 4.20 -0.15 2.97 2.96 -1.09 -2.33 118.68 126.45 1crr s LEU 56 Ca 0.43 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.36 1crr s LEU 56 Cb -0.19 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 1crr s LEU 56 CO 0.20 -0.83 0.06 -0.62 -1.32 0.00 0.00 176.35 173.84 1crr s ASP 57 N 2.01 5.68 0.14 3.68 -1.08 -1.26 -2.87 116.67 122.97 1crr s ASP 57 Ca 0.30 0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.55 1crr s ASP 57 Cb -0.13 -1.88 -0.04 0.00 -1.46 0.00 0.00 42.92 39.42 1crr s ASP 57 CO 0.20 0.26 0.08 0.42 0.52 0.00 0.00 175.17 176.65 1crr s THR 58 N -0.14 4.28 0.00 1.71 -4.23 -1.26 -4.08 115.64 111.91 1crr s THR 58 Ca 0.07 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1crr s THR 58 Cb -0.12 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1crr s THR 58 CO 0.01 -0.05 0.14 0.00 -0.54 0.00 0.00 174.62 174.18 1crr n ALA 59 N -0.07 0.00 -1.00 3.99 0.00 -1.25 -4.95 120.51 117.23 1crr n ALA 59 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1crr n ALA 59 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 1.35 -1.96 3.76 0.00 0.00 -1.10 -4.79 105.19 102.45 1crr n GLY 60 Ca 0.00 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 1crr n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1crr s GLN 61 N 0.00 4.33 -0.28 1.61 -2.07 -1.26 -4.92 119.66 117.07 1crr s GLN 61 Ca 0.00 2.25 0.09 0.00 -1.82 0.00 0.00 55.36 55.88 1crr s GLN 61 Cb 0.00 -3.08 0.48 0.00 -1.09 0.00 0.00 33.01 29.32 1crr s GLN 61 CO 0.00 -0.26 1.39 0.39 -1.32 0.00 0.00 175.29 175.49 1crr n GLU 62 N 1.18 1.86 -1.68 9.60 4.71 -1.26 -5.03 120.64 130.02 1crr n GLU 62 Ca 0.02 -3.29 -0.44 0.00 -0.01 0.00 0.00 57.16 53.44 1crr n GLU 62 Cb 0.41 -1.79 -0.04 0.00 -1.01 0.00 0.00 31.44 29.02 1crr n GLU 62 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1crr n GLU 63 N -1.10 2.63 -3.09 3.49 -0.00 -1.26 -2.96 120.64 118.35 1crr n GLU 63 Ca 0.30 0.96 -0.05 0.00 -0.00 0.00 0.00 57.16 58.37 1crr n GLU 63 Cb 0.92 -2.86 0.02 0.00 -0.00 0.00 0.00 31.44 29.53 1crr n GLU 63 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1crr n TYR 64 N 6.49 -2.74 -3.17 -1.84 9.36 -1.26 -4.98 117.16 119.03 1crr n TYR 64 Ca 0.20 1.02 -0.37 0.00 3.32 0.00 0.00 57.90 62.06 1crr n TYR 64 Cb 0.36 -4.07 -0.06 0.00 -0.63 0.00 0.00 39.34 34.94 1crr n TYR 64 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1crr s SER 65 N -3.12 7.09 0.14 2.98 1.04 -1.16 -4.94 113.70 115.73 1crr s SER 65 Ca 0.16 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1crr s SER 65 Cb -0.02 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1crr s SER 65 CO 0.73 0.16 0.00 0.00 0.98 0.00 0.00 173.24 175.10 1crr n ALA 66 N 1.22 3.00 0.11 5.32 0.00 -1.26 -4.79 120.51 124.11 1crr n ALA 66 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 1crr n ALA 66 Cb 0.51 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 0.37 -0.58 0.00 4.05 -2.00 -3.22 114.93 113.54 1crr h MET 67 Ca 0.00 -0.63 -0.02 0.00 -0.28 0.00 0.00 59.70 58.77 1crr h MET 67 Cb 0.02 0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1crr h MET 67 CO 0.00 1.29 0.28 -0.09 0.23 0.00 0.00 176.91 178.62 1crr h ARG 68 N 0.10 0.82 -0.66 0.39 9.65 -1.98 -1.50 114.38 121.19 1crr h ARG 68 Ca -0.20 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 1crr h ARG 68 Cb 2.05 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 30.44 1crr h ARG 68 CO 0.22 0.64 0.30 -0.44 2.80 0.00 0.00 179.97 183.49 1crr h ASP 69 N 0.82 0.89 0.30 -3.80 5.19 -1.87 -0.87 116.42 117.07 1crr h ASP 69 Ca 0.20 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1crr h ASP 69 Cb 0.09 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1crr h ASP 69 CO -0.03 0.79 -0.18 1.56 -3.12 0.00 0.00 179.24 178.25 1crr h GLN 70 N 0.93 0.00 -0.56 3.56 1.08 -1.35 -2.14 115.11 116.62 1crr h GLN 70 Ca 0.23 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.34 1crr h GLN 70 Cb 0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1crr h GLN 70 CO -0.03 0.18 0.02 -0.92 -0.95 0.00 0.00 178.83 177.14 1crr h TYR 71 N 0.00 1.06 -0.08 2.96 5.03 -0.20 -1.24 116.97 124.50 1crr h TYR 71 Ca -0.00 -0.18 0.02 0.00 2.58 0.00 0.00 58.73 61.15 1crr h TYR 71 Cb 0.38 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 1crr h TYR 71 CO 0.00 0.95 0.12 0.52 -1.32 0.00 0.00 178.16 178.43 1crr h MET 72 N 0.86 0.00 0.00 1.82 2.86 -0.95 -0.07 114.93 119.46 1crr h MET 72 Ca 0.16 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.58 1crr h MET 72 Cb 0.52 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1crr h MET 72 CO 0.03 0.00 -1.53 -2.13 1.06 0.00 0.00 176.91 174.33 1crr n ARG 73 N -3.56 0.62 -0.03 1.72 0.00 -0.61 -4.57 116.66 110.24 1crr n ARG 73 Ca -0.01 0.25 -0.01 0.00 -0.00 0.00 0.00 57.85 58.08 1crr n ARG 73 Cb 0.21 -1.80 -0.00 0.00 0.00 0.00 0.00 32.46 30.87 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 0.00 0.00 -4.12 5.15 1.35 0.02 -3.47 112.91 111.84 1crr h THR 74 Ca -0.21 -0.43 -0.56 0.00 -0.55 0.00 0.00 66.41 64.66 1crr h THR 74 Cb 1.75 0.00 0.16 0.00 -1.73 0.00 0.00 68.15 68.34 1crr h THR 74 CO 0.06 0.00 0.50 -0.83 -0.25 0.00 0.00 175.52 175.00 1crr s GLY 75 N -3.01 2.81 -0.01 5.82 0.00 -0.33 -4.94 107.32 107.65 1crr s GLY 75 Ca -0.04 1.20 0.02 0.00 0.00 0.00 0.00 44.72 45.90 1crr s GLY 75 CO 0.06 1.63 0.03 1.18 0.00 0.00 0.00 173.10 175.99 1crr n GLU 76 N -2.04 1.38 -2.53 2.90 4.71 -0.61 -4.79 120.64 119.67 1crr n GLU 76 Ca 0.16 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.89 1crr n GLU 76 Cb 0.48 -1.04 -0.04 0.00 -1.01 0.00 0.00 31.44 29.83 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 -2.56 2.84 -0.40 0.62 0.00 -1.00 -3.99 107.32 102.83 1crr s GLY 77 Ca -0.01 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.52 1crr s GLY 77 CO 0.07 1.66 0.17 -1.36 0.00 0.00 0.00 173.10 173.65 1crr s PHE 78 N -0.13 2.29 -1.27 1.90 0.40 -1.11 0.81 117.98 120.87 1crr s PHE 78 Ca 0.50 -2.40 -0.16 0.00 -0.60 0.00 0.00 56.93 54.27 1crr s PHE 78 Cb -0.29 -2.09 0.11 0.00 0.51 0.00 0.00 43.02 41.26 1crr s PHE 78 CO 0.34 -0.83 1.64 -0.11 0.70 0.00 0.00 175.22 176.97 1crr n LEU 79 N 3.97 5.09 -4.56 -0.37 7.94 -0.71 -0.72 117.00 127.63 1crr n LEU 79 Ca 0.05 -4.12 -0.22 0.00 -1.11 0.00 0.00 56.01 50.61 1crr n LEU 79 Cb 0.37 -1.70 -0.06 0.00 0.53 0.00 0.00 43.42 42.56 1crr n LEU 79 CO 0.21 0.38 1.30 0.00 -1.11 0.00 0.00 177.39 178.17 1crr n VAL 81 N 8.22 1.70 -3.38 0.00 0.31 -0.11 -1.86 118.33 123.21 1crr n VAL 81 Ca 0.43 -0.43 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1crr n VAL 81 Cb 0.46 -1.91 -0.09 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.78 -0.58 -0.36 3.52 5.36 -0.46 -4.35 117.98 120.32 1crr s PHE 82 Ca 0.57 0.03 -0.28 0.00 -0.96 0.00 0.00 56.93 56.29 1crr s PHE 82 Cb -0.50 -0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 1crr s PHE 82 CO 0.59 -0.90 1.75 0.00 -1.46 0.00 0.00 175.22 175.21 1crr s ALA 83 N 2.41 2.84 0.45 11.12 0.00 -1.26 -1.65 121.76 135.66 1crr s ALA 83 Ca 0.09 0.14 0.11 0.00 0.00 0.00 0.00 51.96 52.30 1crr s ALA 83 Cb -0.14 -4.03 1.01 0.00 0.00 0.00 0.00 23.12 19.96 1crr s ALA 83 CO -0.30 -2.70 2.07 -0.84 0.00 0.00 0.00 175.76 173.99 1crr h ILE 84 N 6.77 1.03 -1.57 0.00 -0.00 -1.67 -3.10 117.51 118.96 1crr h ILE 84 Ca -0.32 -0.13 -0.76 0.00 -0.00 0.00 0.00 64.86 63.65 1crr h ILE 84 Cb 1.16 0.62 -0.17 0.00 -0.00 0.00 0.00 36.82 38.43 1crr h ILE 84 CO 1.05 0.07 1.93 -3.20 -0.00 0.00 0.00 178.15 178.00 1crr n ASN 85 N -4.49 6.73 0.00 2.16 5.15 -1.26 -3.12 115.26 120.43 1crr n ASN 85 Ca 0.03 -3.23 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 1crr n ASN 85 Cb 0.14 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 1crr n ASN 85 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1crr n ASN 86 N 2.22 0.00 0.00 1.20 2.85 -1.17 -4.93 115.26 115.43 1crr n ASN 86 Ca 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 1crr n ASN 86 Cb 0.30 0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.61 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 -2.09 0.00 0.28 -0.44 -1.04 -1.25 -4.64 114.28 105.10 1crr n THR 87 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1crr n THR 87 Cb 0.00 0.00 0.78 0.00 -1.82 0.00 0.00 70.33 69.29 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 -0.52 -2.82 3.64 -1.96 -0.86 116.57 114.05 1crr h LYS 88 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1crr h LYS 88 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1crr h LYS 88 CO 0.00 0.04 0.00 0.77 -2.27 0.00 0.00 179.45 177.99 1crr h SER 89 N 0.00 0.85 -0.14 4.20 0.02 -1.82 -1.12 113.55 115.53 1crr h SER 89 Ca -0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1crr h SER 89 Cb 0.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1crr h SER 89 CO 0.00 0.91 0.07 0.15 -1.14 0.00 0.00 176.83 176.83 1crr h PHE 90 N 0.82 0.21 0.00 3.45 3.57 -1.43 -1.33 116.94 122.22 1crr h PHE 90 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1crr h PHE 90 Cb 0.48 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1crr h PHE 90 CO 0.03 0.24 -0.10 0.93 -2.23 0.00 0.00 178.31 177.18 1crr h GLU 91 N 0.11 0.00 -0.04 1.11 4.39 -1.35 -1.62 114.58 117.18 1crr h GLU 91 Ca 0.05 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 1crr h GLU 91 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1crr h GLU 91 CO -0.01 0.10 -0.68 -0.44 -1.16 0.00 0.00 179.01 176.81 1crr h ASP 92 N 0.00 0.23 0.69 1.42 3.32 -0.14 -2.94 116.42 119.00 1crr h ASP 92 Ca -0.00 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1crr h ASP 92 Cb 0.28 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1crr h ASP 92 CO 0.01 0.84 -0.57 0.40 -1.72 0.00 0.00 179.24 178.20 1crr h ILE 93 N 0.13 1.32 0.00 0.35 1.08 -0.42 -2.07 117.51 117.90 1crr h ILE 93 Ca -0.02 -2.02 -0.01 0.00 -0.39 0.00 0.00 64.86 62.42 1crr h ILE 93 Cb 1.22 2.12 -0.00 0.00 -3.07 0.00 0.00 36.82 37.09 1crr h ILE 93 CO 0.10 0.56 -0.04 -0.74 -0.69 0.00 0.00 178.15 177.34 1crr h HIS 94 N 0.00 0.00 0.06 1.37 2.76 -1.30 -1.85 115.15 116.19 1crr h HIS 94 Ca -0.01 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1crr h HIS 94 Cb 1.07 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.99 1crr h HIS 94 CO 0.00 0.04 -1.95 1.04 -1.30 0.00 0.00 177.93 175.76 1crr n GLN 95 N -4.36 0.69 0.25 5.26 6.02 -1.06 -3.89 117.38 120.30 1crr n GLN 95 Ca -0.03 0.25 0.17 0.00 -0.01 0.00 0.00 57.00 57.38 1crr n GLN 95 Cb 0.12 -1.71 0.84 0.00 1.02 0.00 0.00 30.24 30.51 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 0.03 0.00 -0.82 1.08 0.05 -0.93 -1.56 116.97 114.82 1crr h TYR 96 Ca -0.39 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 57.95 1crr h TYR 96 Cb 2.03 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 39.52 1crr h TYR 96 CO 0.04 0.00 0.56 -2.13 -1.05 0.00 0.00 178.16 175.58 1crr n ARG 97 N -2.76 2.06 0.00 4.88 0.63 -0.74 -3.74 116.66 117.00 1crr n ARG 97 Ca -0.01 -2.48 0.00 0.00 -0.92 0.00 0.00 57.85 54.44 1crr n ARG 97 Cb 0.14 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.08 1crr n ARG 97 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1crr n GLU 98 N -0.80 0.00 0.04 -0.14 1.02 -0.60 -4.68 120.64 115.48 1crr n GLU 98 Ca 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.64 1crr n GLU 98 Cb 1.36 -0.16 0.34 0.00 -0.02 0.00 0.00 31.44 32.96 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1crr h GLN 99 N 0.00 0.43 -0.49 3.49 4.15 -1.70 -0.01 115.11 120.99 1crr h GLN 99 Ca 0.00 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 1crr h GLN 99 Cb 0.16 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1crr h GLN 99 CO 0.00 0.47 -0.05 0.82 -1.93 0.00 0.00 178.83 178.14 1crr h ILE 100 N 0.42 1.25 0.00 2.39 2.04 -1.84 0.12 117.51 121.89 1crr h ILE 100 Ca 0.09 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 1crr h ILE 100 Cb 0.30 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1crr h ILE 100 CO 0.01 0.39 -0.22 0.11 0.00 0.00 0.00 178.15 178.43 1crr h LYS 101 N 0.78 0.00 -0.09 2.37 1.57 -1.37 -2.21 116.57 117.62 1crr h LYS 101 Ca 0.14 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 1crr h LYS 101 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1crr h LYS 101 CO 0.03 0.22 -0.70 -0.09 -0.57 0.00 0.00 179.45 178.34 1crr h ARG 102 N 0.00 0.40 0.04 3.15 2.43 0.78 0.24 114.38 121.42 1crr h ARG 102 Ca -0.00 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1crr h ARG 102 Cb 0.45 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1crr h ARG 102 CO 0.03 0.95 -0.02 0.28 -1.51 0.00 0.00 179.97 179.70 1crr h VAL 103 N 0.28 0.00 0.00 0.20 2.07 -0.80 -3.29 116.25 114.71 1crr h VAL 103 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1crr h VAL 103 Cb 1.27 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1crr h VAL 103 CO 0.12 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1crr h LYS 104 N -0.24 0.00 -5.49 1.57 1.79 -1.57 -3.46 116.57 109.17 1crr h LYS 104 Ca -0.01 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1crr h LYS 104 Cb 0.04 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 30.82 1crr h LYS 104 CO 0.01 0.00 -0.65 -3.47 -1.08 0.00 0.00 179.45 174.26 1crr n ASP 105 N -2.38 -5.25 -3.60 0.86 2.03 0.80 -4.97 116.55 104.05 1crr n ASP 105 Ca 0.00 -0.52 -0.06 0.00 0.52 0.00 0.00 54.79 54.73 1crr n ASP 105 Cb 0.16 -4.74 -0.04 0.00 -0.72 0.00 0.00 41.12 35.79 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 -3.50 -0.22 -0.97 1.67 0.01 -0.91 -5.00 113.70 104.77 1crr s SER 106 Ca 0.43 0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 1crr s SER 106 Cb -0.19 0.19 0.27 0.00 0.21 0.00 0.00 66.02 66.50 1crr s SER 106 CO 0.68 -0.25 1.07 -0.67 0.41 0.00 0.00 173.24 174.49 1crr n ASP 107 N 0.42 5.14 -2.71 2.44 -0.08 -1.26 -4.35 116.55 116.15 1crr n ASP 107 Ca -0.05 -3.24 -0.04 0.00 -1.51 0.00 0.00 54.79 49.95 1crr n ASP 107 Cb 0.59 -1.14 0.10 0.00 2.34 0.00 0.00 41.12 43.00 1crr n ASP 107 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1crr n ASP 108 N 1.88 -0.49 -4.89 1.67 5.68 -1.26 -5.12 116.55 114.02 1crr n ASP 108 Ca 0.25 -2.30 -0.32 0.00 -0.50 0.00 0.00 54.79 51.92 1crr n ASP 108 Cb 0.37 0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 40.64 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1crr s VAL 109 N -1.19 5.13 -1.11 2.12 1.01 -1.26 -4.97 120.40 120.13 1crr s VAL 109 Ca 0.19 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.12 1crr s VAL 109 Cb 0.41 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1crr s VAL 109 CO -0.08 0.08 1.88 -2.16 0.00 0.00 0.00 175.10 174.83 1crr s PRO 110 N -2.50 2.75 0.74 2.72 0.04 -1.26 -4.93 135.00 132.57 1crr s PRO 110 Ca 0.40 -1.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.31 1crr s PRO 110 Cb -0.12 -5.23 0.04 0.00 0.04 0.00 0.00 34.50 29.22 1crr s PRO 110 CO 0.23 -3.50 1.12 1.41 0.04 0.00 0.00 177.00 176.29 1crr s MET 111 N 6.27 2.54 -0.29 4.56 1.75 -1.26 -2.77 119.30 130.10 1crr s MET 111 Ca 0.66 0.40 0.03 0.00 -1.25 0.00 0.00 55.69 55.53 1crr s MET 111 Cb -0.02 -1.99 0.17 0.00 2.84 0.00 0.00 34.83 35.84 1crr s MET 111 CO 0.07 -1.25 0.48 0.08 -0.65 0.00 0.00 175.02 173.75 1crr s VAL 112 N -3.38 -0.77 -0.65 10.11 1.01 0.11 -4.25 120.40 122.57 1crr s VAL 112 Ca 0.59 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1crr s VAL 112 Cb -0.11 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1crr s VAL 112 CO 0.51 -0.17 1.13 -0.22 0.00 0.00 0.00 175.10 176.36 1crr s LEU 113 N 2.65 3.66 0.34 3.92 2.96 -1.01 -0.61 118.68 130.60 1crr s LEU 113 Ca 0.10 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.45 1crr s LEU 113 Cb -0.12 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.77 1crr s LEU 113 CO -0.28 -1.56 0.75 -0.69 -1.32 0.00 0.00 176.35 173.25 1crr s VAL 114 N 4.87 4.69 -0.85 1.68 1.01 -0.78 -2.38 120.40 128.65 1crr s VAL 114 Ca 0.33 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1crr s VAL 114 Cb -0.11 -3.63 0.23 0.00 0.00 0.00 0.00 36.38 32.87 1crr s VAL 114 CO 0.17 -0.26 0.84 0.61 0.00 0.00 0.00 175.10 176.46 1crr n GLY 115 N -0.58 4.39 3.67 4.51 0.00 0.14 -1.36 105.19 115.96 1crr n GLY 115 Ca 0.03 -2.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.11 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 -1.01 2.97 -0.74 1.61 3.04 -0.66 -0.92 114.94 119.23 1crr s ASN 116 Ca 0.30 1.84 -0.02 0.00 0.04 0.00 0.00 52.86 55.03 1crr s ASN 116 Cb -0.01 -2.42 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 1crr s ASN 116 CO -0.08 -3.01 0.63 0.29 -3.04 0.00 0.00 177.10 171.89 1crr n LYS 117 N -4.16 -4.19 -0.73 0.43 4.76 -0.32 -2.08 118.16 111.87 1crr n LYS 117 Ca 0.09 0.49 0.08 0.00 -2.87 0.00 0.00 58.31 56.10 1crr n LYS 117 Cb 0.53 -4.46 0.37 0.00 -1.84 0.00 0.00 35.03 29.63 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1crr n ASP 119 N 0.78 6.55 -2.34 0.00 5.75 -1.26 -4.96 116.55 121.07 1crr n ASP 119 Ca 0.26 -3.76 -0.11 0.00 -0.01 0.00 0.00 54.79 51.18 1crr n ASP 119 Cb 1.03 -0.87 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.94 0.00 -0.05 -2.12 -0.00 -1.26 -5.11 117.00 107.52 1crr n LEU 120 Ca 0.59 -1.49 -0.10 0.00 -0.00 0.00 0.00 56.01 55.01 1crr n LEU 120 Cb 0.87 0.64 -0.03 0.00 -0.00 0.00 0.00 43.42 44.90 1crr n LEU 120 CO 0.70 -0.24 -0.65 0.00 -0.00 0.00 0.00 177.39 177.19 1crr n ALA 121 N -2.00 1.95 -2.02 1.47 0.00 -1.26 -4.97 120.51 113.68 1crr n ALA 121 Ca -0.07 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1crr n ALA 121 Cb 0.29 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.39 3.69 -0.11 0.00 0.00 -1.26 -5.00 121.76 116.69 1crr s ALA 122 Ca -0.18 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1crr s ALA 122 Cb 0.05 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1crr s ALA 122 CO 0.24 -0.81 -0.09 1.03 0.00 0.00 0.00 175.76 176.13 1crr s ARG 123 N 1.54 1.65 0.26 0.00 0.52 -1.26 -4.92 118.95 116.75 1crr s ARG 123 Ca 0.69 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 1crr s ARG 123 Cb -0.40 -1.63 0.35 0.00 0.52 0.00 0.00 34.95 33.79 1crr s ARG 123 CO 0.31 -0.22 1.64 1.79 0.02 0.00 0.00 175.30 178.84 1crr h THR 124 N 6.13 1.32 -3.68 0.02 1.35 -1.92 -3.40 112.91 112.72 1crr h THR 124 Ca -0.31 -1.62 -0.64 0.00 -0.55 0.00 0.00 66.41 63.29 1crr h THR 124 Cb 1.14 1.71 -0.19 0.00 -1.73 0.00 0.00 68.15 69.08 1crr h THR 124 CO 0.43 0.49 -0.57 -0.69 -0.25 0.00 0.00 175.52 174.93 1crr s VAL 125 N -4.10 4.82 0.52 6.82 1.01 -1.18 -5.00 120.40 123.28 1crr s VAL 125 Ca -0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1crr s VAL 125 Cb 0.13 -3.26 0.13 0.00 0.00 0.00 0.00 36.38 33.38 1crr s VAL 125 CO 0.79 0.32 0.30 -0.62 0.00 0.00 0.00 175.10 175.90 1crr n GLU 126 N 4.74 -3.03 -0.12 2.72 1.02 -1.26 -4.94 120.64 119.77 1crr n GLU 126 Ca -0.15 -0.51 0.08 0.00 -0.02 0.00 0.00 57.16 56.56 1crr n GLU 126 Cb 0.52 -0.67 0.14 0.00 -0.02 0.00 0.00 31.44 31.41 1crr n GLU 126 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1crr n SER 127 N -4.00 2.81 -0.04 1.62 3.41 -1.26 -4.37 113.62 111.80 1crr n SER 127 Ca 0.05 -1.82 -0.03 0.00 -0.26 0.00 0.00 58.87 56.80 1crr n SER 127 Cb 0.21 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1crr n SER 127 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1crr n ARG 128 N 0.95 2.72 0.14 4.33 -4.01 -1.26 -4.26 116.66 115.26 1crr n ARG 128 Ca 0.13 -0.01 -0.00 0.00 -1.04 0.00 0.00 57.85 56.93 1crr n ARG 128 Cb 0.45 -1.19 0.16 0.00 -3.04 0.00 0.00 32.46 28.85 1crr n ARG 128 CO 0.00 0.00 0.00 -0.56 -3.04 0.00 0.00 177.63 174.03 1crr h GLN 129 N 0.00 0.00 -0.05 2.89 3.07 -1.96 -2.38 115.11 116.68 1crr h GLN 129 Ca -0.19 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.31 1crr h GLN 129 Cb 1.42 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.98 1crr h GLN 129 CO 0.01 0.60 -0.91 0.00 0.09 0.00 0.00 178.83 178.63 1crr h ALA 130 N 1.40 0.31 0.00 0.06 0.00 -1.80 -2.76 119.26 116.46 1crr h ALA 130 Ca -0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1crr h ALA 130 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1crr h ALA 130 CO 0.08 0.74 -0.29 1.96 0.00 0.00 0.00 179.25 181.73 1crr h GLN 131 N 0.36 0.00 -0.07 0.00 4.20 -1.71 -2.33 115.11 115.56 1crr h GLN 131 Ca -0.08 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 1crr h GLN 131 Cb 1.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1crr h GLN 131 CO 0.17 0.29 -0.74 -0.44 -0.67 0.00 0.00 178.83 177.45 1crr h ASP 132 N 0.00 0.47 0.18 1.46 5.19 -1.28 -1.43 116.42 121.01 1crr h ASP 132 Ca -0.00 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1crr h ASP 132 Cb 0.58 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1crr h ASP 132 CO 0.04 1.05 -0.09 0.25 -3.12 0.00 0.00 179.24 177.37 1crr h LEU 133 N 0.26 -0.21 0.73 1.55 5.85 -1.19 -2.29 115.31 120.02 1crr h LEU 133 Ca -0.03 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1crr h LEU 133 Cb 1.31 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.40 1crr h LEU 133 CO 0.13 0.33 -0.35 0.00 -0.34 0.00 0.00 178.44 178.20 1crr h ALA 134 N -0.37 -1.17 -0.63 1.25 0.00 -1.53 -2.64 119.26 114.16 1crr h ALA 134 Ca -0.03 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1crr h ALA 134 Cb 0.51 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1crr h ALA 134 CO 0.04 -1.10 0.61 -0.09 0.00 0.00 0.00 179.25 178.71 1crr h ARG 135 N -1.05 0.00 -0.19 0.00 2.43 -1.28 0.30 114.38 114.59 1crr h ARG 135 Ca -0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1crr h ARG 135 Cb 0.75 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1crr h ARG 135 CO 0.16 0.00 0.01 0.77 -1.51 0.00 0.00 179.97 179.40 1crr h SER 136 N 0.00 0.31 -0.03 -3.80 0.02 -1.05 -2.61 113.55 106.40 1crr h SER 136 Ca 0.30 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1crr h SER 136 Cb 1.51 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1crr h SER 136 CO -0.00 0.53 0.00 -1.22 -1.14 0.00 0.00 176.83 175.00 1crr n TYR 137 N -4.72 0.04 -2.04 3.45 4.01 0.05 -4.87 117.16 113.08 1crr n TYR 137 Ca -0.05 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.90 57.61 1crr n TYR 137 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.89 0.18 3.52 2.72 0.00 -0.93 -5.03 105.19 106.53 1crr n GLY 138 Ca 0.16 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.31 3.13 0.51 -0.61 -4.36 -0.91 -4.96 121.20 111.69 1crr s ILE 139 Ca 0.00 -1.08 -0.22 0.00 -0.26 0.00 0.00 60.65 59.09 1crr s ILE 139 Cb 0.00 -2.36 -0.06 0.00 1.25 0.00 0.00 42.46 41.29 1crr s ILE 139 CO 0.00 0.32 1.20 -2.16 0.24 0.00 0.00 174.94 174.53 1crr s PRO 140 N -1.56 3.48 -0.04 0.37 0.04 -1.26 -3.46 135.00 132.57 1crr s PRO 140 Ca 0.16 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1crr s PRO 140 Cb -0.11 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1crr s PRO 140 CO 0.07 -0.80 -0.21 -0.47 0.04 0.00 0.00 177.00 175.64 1crr s TYR 141 N -1.55 2.52 0.26 0.56 5.04 -1.26 -2.40 117.35 120.52 1crr s TYR 141 Ca 0.68 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 1crr s TYR 141 Cb -0.30 -1.58 -0.00 0.00 0.35 0.00 0.00 41.96 40.43 1crr s TYR 141 CO 0.35 0.02 0.33 -0.89 -1.34 0.00 0.00 175.55 174.02 1crr n ILE 142 N 2.51 0.00 -3.49 3.14 5.41 -1.00 -5.01 119.36 120.92 1crr n ILE 142 Ca -0.17 -1.52 -0.14 0.00 1.00 0.00 0.00 62.75 61.92 1crr n ILE 142 Cb 0.52 0.87 -0.11 0.00 -0.71 0.00 0.00 39.64 40.20 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 -2.74 0.23 0.42 0.38 2.02 -1.26 0.25 118.70 118.00 1crr s GLU 143 Ca 0.25 0.44 0.07 0.00 0.02 0.00 0.00 54.97 55.74 1crr s GLU 143 Cb -0.00 -0.71 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 1crr s GLU 143 CO 0.18 -0.56 0.16 0.95 0.02 0.00 0.00 175.26 176.00 1crr s THR 144 N 2.42 2.20 -0.22 3.63 -4.23 -0.10 -4.38 115.64 114.95 1crr s THR 144 Ca 0.07 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.72 1crr s THR 144 Cb -0.15 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.83 1crr s THR 144 CO -0.12 0.00 0.54 -0.55 -0.54 0.00 0.00 174.62 173.95 1crr s SER 145 N -3.89 -0.72 -0.07 3.99 0.15 0.03 -1.17 113.70 112.01 1crr s SER 145 Ca 0.39 1.18 0.09 0.00 0.70 0.00 0.00 55.95 58.31 1crr s SER 145 Cb 0.04 1.06 0.39 0.00 -1.71 0.00 0.00 66.02 65.80 1crr s SER 145 CO 0.21 -0.21 1.20 0.00 1.20 0.00 0.00 173.24 175.64 1crr n ALA 146 N 4.28 2.89 -0.37 5.45 0.00 -1.26 -3.31 120.51 128.19 1crr n ALA 146 Ca -0.22 -0.85 0.08 0.00 0.00 0.00 0.00 53.44 52.44 1crr n ALA 146 Cb 0.57 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 19.22 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 0.45 2.96 -0.46 0.00 4.81 -1.26 -4.66 118.16 119.99 1crr n LYS 147 Ca 0.14 -2.36 -0.01 0.00 -0.87 0.00 0.00 58.31 55.20 1crr n LYS 147 Cb 0.56 -1.47 -0.01 0.00 0.02 0.00 0.00 35.03 34.13 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 0.68 0.00 -2.51 3.15 5.66 -1.25 -4.98 114.28 115.02 1crr n THR 148 Ca 0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.08 1crr n THR 148 Cb 0.58 0.07 -0.00 0.00 -1.55 0.00 0.00 70.33 69.42 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 -2.51 -3.33 1.09 1.74 -1.24 -4.89 116.66 107.52 1crr n ARG 149 Ca -0.04 0.41 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 1crr n ARG 149 Cb 0.27 -4.98 -0.09 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 -5.08 3.22 0.00 5.56 2.00 -1.21 -4.19 119.66 119.96 1crr s GLN 150 Ca 0.02 -0.66 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 1crr s GLN 150 Cb -0.01 -3.93 0.00 0.00 0.80 0.00 0.00 33.01 29.87 1crr s GLN 150 CO 0.03 -0.78 0.00 0.41 -0.50 0.00 0.00 175.29 174.45 1crr n GLY 151 N 5.06 3.33 0.37 2.59 0.00 -1.26 -0.79 105.19 114.49 1crr n GLY 151 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.01 1.61 2.07 -1.83 -0.78 116.25 118.23 1crr h VAL 152 Ca 0.00 -0.24 -0.21 0.00 0.82 0.00 0.00 66.70 67.07 1crr h VAL 152 Cb 0.00 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1crr h VAL 152 CO 0.00 0.13 -1.02 -0.33 0.02 0.00 0.00 177.57 176.37 1crr h GLU 153 N 0.70 0.02 -0.53 1.57 5.08 -1.90 -3.01 114.58 116.50 1crr h GLU 153 Ca 0.40 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1crr h GLU 153 Cb 0.58 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1crr h GLU 153 CO -0.16 1.01 0.02 -0.44 -1.00 0.00 0.00 179.01 178.44 1crr h ASP 154 N 0.00 0.84 0.08 1.42 3.32 -1.56 -1.83 116.42 118.69 1crr h ASP 154 Ca -0.02 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1crr h ASP 154 Cb 1.78 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1crr h ASP 154 CO 0.13 0.89 -0.04 0.00 -1.72 0.00 0.00 179.24 178.50 1crr h ALA 155 N 1.21 -0.11 0.57 3.45 0.00 -1.48 -2.77 119.26 120.13 1crr h ALA 155 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1crr h ALA 155 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1crr h ALA 155 CO 0.02 -0.13 -0.38 0.74 0.00 0.00 0.00 179.25 179.50 1crr h PHE 156 N -0.97 -1.02 0.14 0.00 -1.00 -1.59 -0.99 116.94 111.52 1crr h PHE 156 Ca -0.01 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1crr h PHE 156 Cb 0.46 0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.38 1crr h PHE 156 CO 0.10 -0.57 -0.17 1.88 -1.61 0.00 0.00 178.31 177.94 1crr h TYR 157 N -0.91 -0.44 -0.03 -0.55 -1.99 -1.51 -1.17 116.97 110.37 1crr h TYR 157 Ca -0.07 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1crr h TYR 157 Cb 0.76 0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.66 1crr h TYR 157 CO -0.13 -0.25 0.08 1.15 -0.00 0.00 0.00 178.16 179.01 1crr h THR 158 N -0.35 0.18 -0.10 -2.88 2.02 -1.45 -1.53 112.91 108.80 1crr h THR 158 Ca 0.01 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.02 1crr h THR 158 Cb 0.35 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1crr h THR 158 CO -0.07 0.00 -0.61 0.25 0.37 0.00 0.00 175.52 175.47 1crr h LEU 159 N 0.00 0.70 -1.13 2.58 6.46 0.09 -2.71 115.31 121.31 1crr h LEU 159 Ca 0.01 -0.66 -0.06 0.00 -0.12 0.00 0.00 57.88 57.05 1crr h LEU 159 Cb 0.17 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1crr h LEU 159 CO -0.00 1.25 -0.30 0.58 -0.62 0.00 0.00 178.44 179.35 1crr h VAL 160 N 0.21 0.76 -0.07 1.05 2.07 -0.95 -2.80 116.25 116.52 1crr h VAL 160 Ca -0.05 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 1crr h VAL 160 Cb 1.26 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1crr h VAL 160 CO 0.12 0.29 -0.37 0.03 0.02 0.00 0.00 177.57 177.67 1crr h ARG 161 N 0.00 0.38 -0.38 1.57 3.08 -1.40 -1.86 114.38 115.77 1crr h ARG 161 Ca -0.00 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1crr h ARG 161 Cb 0.77 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1crr h ARG 161 CO 0.04 0.95 0.21 1.49 -1.07 0.00 0.00 179.97 181.59 1crr h GLU 162 N -0.10 0.53 -0.31 0.04 4.57 -1.43 -2.16 114.58 115.71 1crr h GLU 162 Ca -0.03 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1crr h GLU 162 Cb 1.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1crr h GLU 162 CO 0.08 0.42 -0.05 0.82 -1.18 0.00 0.00 179.01 179.10 1crr h ILE 163 N 0.49 1.21 -0.68 2.32 2.04 -1.55 0.41 117.51 121.74 1crr h ILE 163 Ca 0.13 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1crr h ILE 163 Cb 0.05 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1crr h ILE 163 CO -0.02 0.29 0.41 -0.09 0.00 0.00 0.00 178.15 178.73 1crr h ARG 164 N 0.47 0.93 0.00 2.37 2.43 -0.70 -3.34 114.38 116.53 1crr h ARG 164 Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1crr h ARG 164 Cb 0.38 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1crr h ARG 164 CO 0.02 0.65 0.00 0.94 -1.51 0.00 0.00 179.97 180.07 1crr n GLN 165 N -4.40 0.00 -0.53 0.20 7.27 -0.93 -5.10 117.38 113.90 1crr n GLN 165 Ca 0.07 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.22 1crr n GLN 165 Cb 0.07 -0.40 0.00 0.00 2.41 0.00 0.00 30.24 32.32 1crr n GLN 165 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71