#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 0.00 -3.58 2.03 -1.04 -1.26 -4.16 114.28 106.27 1crr n THR 2 Ca 0.00 0.13 -0.06 0.00 -2.04 0.00 0.00 64.05 62.08 1crr n THR 2 Cb 0.00 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 1crr n THR 2 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1crr s GLU 3 N -2.47 0.43 0.46 -2.82 -1.05 -1.26 -2.44 118.70 109.55 1crr s GLU 3 Ca 0.00 -0.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 1crr s GLU 3 Cb 0.00 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1crr s GLU 3 CO 0.00 -0.17 0.03 0.71 0.95 0.00 0.00 175.26 176.78 1crr s TYR 4 N -2.13 1.95 -0.25 4.83 2.02 -1.04 -4.98 117.35 117.75 1crr s TYR 4 Ca 0.06 -0.99 0.02 0.00 -0.37 0.00 0.00 57.07 55.80 1crr s TYR 4 Cb -0.01 -1.52 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 1crr s TYR 4 CO -0.05 0.14 -0.07 0.15 -1.57 0.00 0.00 175.55 174.14 1crr s LYS 5 N -3.82 1.90 -1.02 -0.62 1.02 -1.26 -1.69 119.74 114.25 1crr s LYS 5 Ca 0.16 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 54.72 1crr s LYS 5 Cb 0.03 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1crr s LYS 5 CO 0.08 -0.60 1.60 -0.51 -0.92 0.00 0.00 175.35 175.00 1crr s LEU 6 N 1.24 3.43 -0.82 3.17 1.43 -1.01 -2.10 118.68 124.02 1crr s LEU 6 Ca -0.06 -1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 51.45 1crr s LEU 6 Cb -0.19 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 1crr s LEU 6 CO -0.06 -1.83 2.03 -0.69 0.23 0.00 0.00 176.35 176.04 1crr s VAL 7 N 6.33 3.34 0.33 -1.59 1.01 0.24 -2.24 120.40 127.83 1crr s VAL 7 Ca 0.53 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 1crr s VAL 7 Cb -0.01 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1crr s VAL 7 CO -0.06 -0.74 0.99 -0.69 0.00 0.00 0.00 175.10 174.61 1crr s VAL 8 N 10.85 3.96 -0.23 2.92 1.01 -1.04 -1.75 120.40 136.12 1crr s VAL 8 Ca 0.75 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 64.27 1crr s VAL 8 Cb -0.09 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1crr s VAL 8 CO 0.05 0.16 0.54 0.68 0.00 0.00 0.00 175.10 176.53 1crr s VAL 9 N -1.53 -0.16 0.00 2.92 -7.23 -1.13 -4.60 120.40 108.67 1crr s VAL 9 Ca 0.51 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1crr s VAL 9 Cb -0.22 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1crr s VAL 9 CO 0.28 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1crr n GLY 10 N 4.49 1.80 4.00 2.32 0.00 -1.26 -0.81 105.19 115.73 1crr n GLY 10 Ca -0.20 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 1crr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crr s ALA 11 N -1.00 4.51 -1.30 4.61 0.00 -1.26 -5.01 121.76 122.31 1crr s ALA 11 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 51.96 50.16 1crr s ALA 11 Cb 0.00 -1.56 0.15 0.00 0.00 0.00 0.00 23.12 21.71 1crr s ALA 11 CO 0.00 -0.32 2.07 0.41 0.00 0.00 0.00 175.76 177.92 1crr n GLY 12 N -1.86 4.94 0.00 0.00 0.00 -1.26 -3.97 105.19 103.03 1crr n GLY 12 Ca 0.08 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1crr n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1crr n GLY 13 N 2.39 0.00 0.07 -0.02 0.00 -1.26 -5.05 105.19 101.32 1crr n GLY 13 Ca 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.43 1crr n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1crr n VAL 14 N 0.00 0.95 0.00 1.61 0.24 -1.25 -5.01 118.33 114.87 1crr n VAL 14 Ca 0.00 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1crr n VAL 14 Cb 0.00 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1crr n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1crr n GLY 15 N 2.20 1.94 0.23 7.63 0.00 -1.26 -4.63 105.19 111.31 1crr n GLY 15 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.78 0.67 1.61 2.10 -1.95 -2.72 116.57 117.06 1crr h LYS 16 Ca 0.00 -0.52 -0.03 0.00 -2.00 0.00 0.00 60.65 58.10 1crr h LYS 16 Cb 0.00 0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1crr h LYS 16 CO 0.00 1.15 -0.32 0.77 -2.00 0.00 0.00 179.45 179.05 1crr h SER 17 N 0.59 -0.76 -1.06 7.07 0.02 -1.95 -2.26 113.55 115.20 1crr h SER 17 Ca 0.00 0.01 0.28 0.00 -0.84 0.00 0.00 61.79 61.24 1crr h SER 17 Cb 1.19 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 1crr h SER 17 CO 0.12 -0.38 0.71 0.00 -1.14 0.00 0.00 176.83 176.14 1crr h ALA 18 N -1.15 2.49 -0.28 3.77 0.00 -1.85 0.28 119.26 122.51 1crr h ALA 18 Ca -0.09 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1crr h ALA 18 Cb 0.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1crr h ALA 18 CO 0.15 -0.86 -0.03 -0.07 0.00 0.00 0.00 179.25 178.44 1crr h LEU 19 N 0.27 0.51 0.62 0.00 3.38 -1.34 -1.11 115.31 117.65 1crr h LEU 19 Ca 0.57 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1crr h LEU 19 Cb 1.69 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.31 1crr h LEU 19 CO -0.20 0.72 -0.30 0.74 0.09 0.00 0.00 178.44 179.49 1crr h THR 20 N 0.29 0.00 -0.31 0.22 2.02 0.13 -2.46 112.91 112.81 1crr h THR 20 Ca 0.08 -0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1crr h THR 20 Cb 0.48 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1crr h THR 20 CO 0.02 0.00 0.36 0.40 0.37 0.00 0.00 175.52 176.67 1crr h ILE 21 N -0.84 0.37 0.64 3.11 5.03 -1.39 -2.18 117.51 122.25 1crr h ILE 21 Ca -0.09 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.62 1crr h ILE 21 Cb 0.64 0.71 0.01 0.00 -3.03 0.00 0.00 36.82 35.15 1crr h ILE 21 CO 0.14 0.00 -0.31 -0.61 -0.68 0.00 0.00 178.15 176.69 1crr h GLN 22 N 0.00 -0.83 0.00 2.37 -0.00 -0.73 0.16 115.11 116.08 1crr h GLN 22 Ca 0.15 0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.83 1crr h GLN 22 Cb 0.86 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 28.53 1crr h GLN 22 CO -0.00 -0.51 -0.11 1.25 0.00 0.00 0.00 178.83 179.45 1crr h LEU 23 N -1.04 0.00 0.00 -2.39 6.46 -1.15 -2.09 115.31 115.10 1crr h LEU 23 Ca -0.09 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1crr h LEU 23 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1crr h LEU 23 CO 0.14 0.11 -0.52 -0.38 -0.62 0.00 0.00 178.44 177.18 1crr n ILE 24 N -3.61 0.21 0.00 4.05 5.41 -0.91 -4.90 119.36 119.61 1crr n ILE 24 Ca -0.02 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1crr n ILE 24 Cb 0.24 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 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 -1.85 0.00 0.00 0.38 1.13 0.54 -5.05 117.38 112.53 1crr n GLN 25 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1crr n GLN 25 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 1crr n GLN 25 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1crr n ASN 26 N 0.00 0.00 -1.36 1.08 0.23 -1.15 -4.96 115.26 109.10 1crr n ASN 26 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 1crr n ASN 26 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1crr n ASN 26 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1crr n HIS 27 N 0.00 -0.28 -3.77 -2.53 1.44 -1.26 -5.09 115.22 103.73 1crr n HIS 27 Ca 0.00 -0.45 -0.30 0.00 -2.01 0.00 0.00 57.72 54.96 1crr n HIS 27 Cb 0.00 0.06 -0.15 0.00 0.12 0.00 0.00 29.99 30.03 1crr n HIS 27 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1crr s PHE 28 N -2.97 2.08 0.16 -1.40 5.36 -1.26 -4.49 117.98 115.46 1crr s PHE 28 Ca 0.06 -2.07 -0.30 0.00 -0.96 0.00 0.00 56.93 53.65 1crr s PHE 28 Cb 0.00 -1.94 -0.08 0.00 -0.34 0.00 0.00 43.02 40.66 1crr s PHE 28 CO 0.04 -0.87 1.32 0.14 -1.46 0.00 0.00 175.22 174.39 1crr s VAL 29 N 1.25 3.31 -2.48 3.12 -7.23 -1.26 -4.91 120.40 112.20 1crr s VAL 29 Ca 0.12 1.03 0.23 0.00 -1.81 0.00 0.00 61.98 61.54 1crr s VAL 29 Cb -0.19 -3.66 0.41 0.00 0.56 0.00 0.00 36.38 33.50 1crr s VAL 29 CO -0.17 0.13 1.44 0.47 -0.31 0.00 0.00 175.10 176.66 1crr n ASP 30 N 3.10 2.76 -2.97 4.85 8.00 -1.26 -4.74 116.55 126.29 1crr n ASP 30 Ca 0.08 -1.89 0.04 0.00 0.71 0.00 0.00 54.79 53.73 1crr n ASP 30 Cb 0.43 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1crr n ASP 30 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1crr s GLU 31 N -1.67 0.03 -0.52 -1.24 -1.05 -1.26 -5.03 118.70 107.95 1crr s GLU 31 Ca 0.35 0.01 -0.02 0.00 -0.15 0.00 0.00 54.97 55.17 1crr s GLU 31 Cb 0.21 0.01 0.31 0.00 -0.44 0.00 0.00 34.13 34.21 1crr s GLU 31 CO 0.30 -0.05 2.10 0.98 0.95 0.00 0.00 175.26 179.54 1crr n TYR 32 N 4.44 2.36 -2.95 4.83 4.19 -1.26 -4.92 117.16 123.84 1crr n TYR 32 Ca 0.08 -2.44 -0.00 0.00 3.31 0.00 0.00 57.90 58.86 1crr n TYR 32 Cb 0.61 -1.22 -0.00 0.00 0.49 0.00 0.00 39.34 39.22 1crr n TYR 32 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1crr n ASP 33 N -0.19 -7.28 0.23 2.98 9.92 -1.26 -4.77 116.55 116.18 1crr n ASP 33 Ca 0.47 0.93 0.16 0.00 -0.53 0.00 0.00 54.79 55.82 1crr n ASP 33 Cb 0.58 -3.48 0.83 0.00 -0.64 0.00 0.00 41.12 38.42 1crr n ASP 33 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1crr h PRO 34 N 3.34 0.00 -1.65 -0.24 0.13 -1.96 -2.87 132.00 128.75 1crr h PRO 34 Ca -0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1crr h PRO 34 Cb 0.50 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.44 1crr h PRO 34 CO 0.05 0.00 0.53 0.25 -0.23 0.00 0.00 178.00 178.60 1crr n THR 35 N -2.59 3.17 -3.74 1.56 -2.24 -1.26 -3.96 114.28 105.22 1crr n THR 35 Ca -0.02 -2.53 -0.13 0.00 -2.27 0.00 0.00 64.05 59.10 1crr n THR 35 Cb 0.06 -1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 66.76 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 -2.88 -0.04 -0.26 2.28 1.01 -1.09 -5.04 121.20 115.18 1crr s ILE 36 Ca 0.48 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.30 1crr s ILE 36 Cb 0.35 -0.32 0.05 0.00 0.01 0.00 0.00 42.46 42.55 1crr s ILE 36 CO -0.12 0.06 -0.09 -1.61 0.00 0.00 0.00 174.94 173.19 1crr s GLU 37 N 1.19 2.37 0.29 2.79 2.02 -1.26 -4.35 118.70 121.75 1crr s GLU 37 Ca -0.09 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 53.67 1crr s GLU 37 Cb -0.11 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1crr s GLU 37 CO -0.07 -0.55 0.21 0.34 0.02 0.00 0.00 175.26 175.21 1crr s ASP 38 N 1.16 1.21 -0.13 -0.19 2.15 -1.26 -5.05 116.67 114.56 1crr s ASP 38 Ca -0.07 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.30 1crr s ASP 38 Cb -0.19 0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 42.89 1crr s ASP 38 CO -0.05 -0.97 -0.15 -0.94 -0.17 0.00 0.00 175.17 172.89 1crr s SER 39 N -3.31 3.78 -0.19 -0.34 1.04 -1.26 -4.40 113.70 109.02 1crr s SER 39 Ca 0.39 -0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 1crr s SER 39 Cb 0.04 -1.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 1crr s SER 39 CO 0.21 0.15 0.05 -0.31 0.98 0.00 0.00 173.24 174.32 1crr s TYR 40 N 0.42 3.18 -0.02 5.02 1.51 -1.00 -5.02 117.35 121.45 1crr s TYR 40 Ca -0.12 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1crr s TYR 40 Cb -0.16 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1crr s TYR 40 CO 0.05 0.04 -0.14 1.03 -1.11 0.00 0.00 175.55 175.43 1crr s ARG 41 N 0.57 2.43 -0.26 -0.62 0.52 -1.26 -0.63 118.95 119.70 1crr s ARG 41 Ca 0.02 -0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 1crr s ARG 41 Cb -0.13 -2.37 0.11 0.00 0.52 0.00 0.00 34.95 33.08 1crr s ARG 41 CO 0.01 0.61 0.57 0.21 0.02 0.00 0.00 175.30 176.72 1crr s LYS 42 N -0.97 0.51 0.52 3.54 2.47 -1.06 -4.96 119.74 119.79 1crr s LYS 42 Ca 0.13 1.25 -0.04 0.00 -1.56 0.00 0.00 55.97 55.75 1crr s LYS 42 Cb -0.11 0.54 -0.01 0.00 -1.46 0.00 0.00 37.83 36.80 1crr s LYS 42 CO 0.02 -0.20 0.81 1.14 0.16 0.00 0.00 175.35 177.28 1crr s GLN 43 N 2.52 3.18 0.08 4.03 -2.07 -1.26 -1.70 119.66 124.44 1crr s GLN 43 Ca -0.06 -0.03 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 1crr s GLN 43 Cb -0.11 -2.37 0.01 0.00 -1.09 0.00 0.00 33.01 29.44 1crr s GLN 43 CO -0.17 -0.42 0.12 1.33 -1.32 0.00 0.00 175.29 174.83 1crr n VAL 44 N -2.35 0.00 0.02 3.63 0.24 -1.19 -4.91 118.33 113.77 1crr n VAL 44 Ca 0.02 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1crr n VAL 44 Cb 0.57 0.22 -0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1crr n VAL 44 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1crr n VAL 45 N -0.12 0.00 0.00 3.34 0.31 -1.26 -2.56 118.33 118.04 1crr n VAL 45 Ca -0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1crr n VAL 45 Cb 0.12 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.05 1crr n VAL 45 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1crr n ILE 46 N -0.94 0.00 -2.71 2.52 2.08 -1.26 -1.93 119.36 117.12 1crr n ILE 46 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 1crr n ILE 46 Cb 0.01 0.00 0.10 0.00 -0.75 0.00 0.00 39.64 39.00 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 2.75 -0.70 0.00 4.38 8.00 -1.26 -4.93 116.55 124.79 1crr n ASP 47 Ca 0.00 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1crr n ASP 47 Cb 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.03 1.92 3.15 0.44 0.00 -0.81 -5.10 105.19 103.77 1crr n GLY 48 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.34 0.56 0.46 1.61 2.12 -0.82 -5.14 118.70 117.15 1crr s GLU 49 Ca 0.00 0.31 -0.25 0.00 0.36 0.00 0.00 54.97 55.40 1crr s GLU 49 Cb 0.00 0.19 -0.08 0.00 0.26 0.00 0.00 34.13 34.50 1crr s GLU 49 CO 0.00 -0.98 1.39 0.99 -0.54 0.00 0.00 175.26 176.12 1crr s THR 50 N 2.60 2.19 -0.30 -1.70 2.01 -1.26 -4.27 115.64 114.92 1crr s THR 50 Ca 0.13 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1crr s THR 50 Cb -0.07 -3.10 0.13 0.00 0.01 0.00 0.00 72.50 69.47 1crr s THR 50 CO -0.21 0.02 0.68 0.00 -0.69 0.00 0.00 174.62 174.42 1crr s LEU 52 N 2.72 3.96 -0.39 0.00 1.43 -1.02 -3.18 118.68 122.20 1crr s LEU 52 Ca -0.06 2.62 0.02 0.00 -1.03 0.00 0.00 54.13 55.68 1crr s LEU 52 Cb -0.11 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 42.03 1crr s LEU 52 CO -0.19 -1.27 0.16 -0.76 0.23 0.00 0.00 176.35 174.52 1crr s LEU 53 N -3.20 3.28 -0.98 1.79 1.43 -0.69 -2.49 118.68 117.81 1crr s LEU 53 Ca 0.67 -2.30 -0.24 0.00 -1.03 0.00 0.00 54.13 51.23 1crr s LEU 53 Cb -0.37 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1crr s LEU 53 CO 0.44 -0.33 1.79 -0.62 0.23 0.00 0.00 176.35 177.87 1crr s ASP 54 N 0.73 5.60 0.14 2.29 2.15 -0.68 -2.55 116.67 124.35 1crr s ASP 54 Ca 0.14 -1.08 -0.30 0.00 0.43 0.00 0.00 52.55 51.73 1crr s ASP 54 Cb -0.21 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.76 1crr s ASP 54 CO -0.09 -2.35 1.25 -0.63 -0.17 0.00 0.00 175.17 173.18 1crr s ILE 55 N 8.45 3.58 -0.40 4.11 1.09 0.19 -2.41 121.20 135.81 1crr s ILE 55 Ca 0.62 1.23 -0.02 0.00 -1.10 0.00 0.00 60.65 61.38 1crr s ILE 55 Cb -0.04 -3.79 0.11 0.00 -1.06 0.00 0.00 42.46 37.68 1crr s ILE 55 CO -0.02 0.15 0.18 -0.22 -0.10 0.00 0.00 174.94 174.94 1crr s LEU 56 N 0.37 5.14 -0.49 2.97 2.96 -0.95 -2.38 118.68 126.30 1crr s LEU 56 Ca 0.57 -1.99 -0.11 0.00 -0.22 0.00 0.00 54.13 52.38 1crr s LEU 56 Cb -0.33 -1.81 0.12 0.00 0.50 0.00 0.00 46.19 44.67 1crr s LEU 56 CO 0.34 -0.52 0.39 -0.62 -1.32 0.00 0.00 176.35 174.63 1crr s ASP 57 N 1.73 5.85 0.63 3.68 2.15 -1.26 -2.49 116.67 126.95 1crr s ASP 57 Ca 0.08 -1.89 -0.17 0.00 0.43 0.00 0.00 52.55 51.00 1crr s ASP 57 Cb -0.22 -2.07 -0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1crr s ASP 57 CO -0.04 -0.74 1.16 0.42 -0.17 0.00 0.00 175.17 175.79 1crr s THR 58 N 1.42 2.91 0.00 1.71 -4.23 -1.26 -4.57 115.64 111.62 1crr s THR 58 Ca 0.05 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1crr s THR 58 Cb -0.27 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1crr s THR 58 CO 0.00 -0.19 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 1crr n ALA 59 N -2.02 0.27 0.00 3.99 0.00 -1.26 -5.01 120.51 116.48 1crr n ALA 59 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1crr n ALA 59 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 2.34 -1.48 2.64 0.00 0.00 -1.25 -4.86 105.19 102.58 1crr n GLY 60 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.66 1crr n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1crr n GLN 61 N 0.00 -3.81 -1.98 1.61 6.02 -1.26 -4.83 117.38 113.14 1crr n GLN 61 Ca 0.00 2.98 -0.42 0.00 -0.01 0.00 0.00 57.00 59.54 1crr n GLN 61 Cb 0.00 -5.19 -0.03 0.00 1.02 0.00 0.00 30.24 26.04 1crr n GLN 61 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1crr s GLU 62 N -1.28 4.20 0.00 -1.09 2.02 -1.26 -4.88 118.70 116.40 1crr s GLU 62 Ca -0.10 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1crr s GLU 62 Cb 0.01 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1crr s GLU 62 CO 0.77 -0.78 0.00 0.39 0.02 0.00 0.00 175.26 175.67 1crr n GLU 63 N 6.33 -2.35 -2.00 1.61 1.02 -1.26 -5.05 120.64 118.93 1crr n GLU 63 Ca 0.16 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 1crr n GLU 63 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.79 1crr n GLU 63 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1crr s TYR 64 N -2.47 1.73 1.35 -0.32 5.04 -1.26 -4.95 117.35 116.47 1crr s TYR 64 Ca 0.00 0.78 -0.20 0.00 -2.44 0.00 0.00 57.07 55.20 1crr s TYR 64 Cb 0.00 -3.99 0.34 0.00 0.35 0.00 0.00 41.96 38.67 1crr s TYR 64 CO 0.00 -1.78 0.96 -1.54 -1.34 0.00 0.00 175.55 171.86 1crr s SER 65 N 8.33 -0.49 0.00 4.32 1.04 -1.26 -4.94 113.70 120.70 1crr s SER 65 Ca 0.72 0.96 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1crr s SER 65 Cb -0.08 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.64 1crr s SER 65 CO 0.02 -5.03 0.00 0.00 0.98 0.00 0.00 173.24 169.21 1crr n ALA 66 N -5.42 0.00 0.13 5.32 0.00 -1.26 -4.94 120.51 114.34 1crr n ALA 66 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1crr n ALA 66 Cb 0.59 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.16 1crr n ALA 66 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1crr h MET 67 N 0.00 0.00 -0.31 0.00 2.86 -1.96 -2.23 114.93 113.29 1crr h MET 67 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1crr h MET 67 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1crr h MET 67 CO 0.00 0.61 0.14 -0.09 1.06 0.00 0.00 176.91 178.64 1crr h ARG 68 N 0.00 0.46 -0.31 1.72 2.43 -1.99 0.42 114.38 117.11 1crr h ARG 68 Ca -0.01 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1crr h ARG 68 Cb 1.26 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1crr h ARG 68 CO 0.08 0.43 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.15 1crr h ASP 69 N 0.37 0.77 0.57 -3.80 5.19 -1.94 -2.03 116.42 115.55 1crr h ASP 69 Ca 0.11 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1crr h ASP 69 Cb 0.13 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1crr h ASP 69 CO -0.01 1.07 0.00 0.00 -3.12 0.00 0.00 179.24 177.18 1crr n GLN 70 N -4.04 0.07 -0.04 3.56 6.02 -0.84 -2.75 117.38 119.35 1crr n GLN 70 Ca -0.02 0.16 -0.11 0.00 -0.01 0.00 0.00 57.00 57.02 1crr n GLN 70 Cb 0.52 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.14 1crr n GLN 70 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1crr n TYR 71 N -1.45 0.77 0.54 1.08 4.01 0.14 -3.69 117.16 118.57 1crr n TYR 71 Ca 0.06 0.25 0.10 0.00 -0.16 0.00 0.00 57.90 58.14 1crr n TYR 71 Cb 0.20 -1.13 0.41 0.00 -0.31 0.00 0.00 39.34 38.50 1crr n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1crr n MET 72 N -3.06 0.07 0.04 -0.72 2.81 -1.03 -1.53 117.12 113.70 1crr n MET 72 Ca -0.24 0.26 0.06 0.00 -1.81 0.00 0.00 57.70 55.98 1crr n MET 72 Cb 1.07 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.88 1crr n MET 72 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1crr n ARG 73 N -1.76 0.63 -0.08 0.03 1.85 -1.21 -4.49 116.66 111.63 1crr n ARG 73 Ca 0.04 0.05 -0.15 0.00 -1.00 0.00 0.00 57.85 56.79 1crr n ARG 73 Cb 0.22 -1.71 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 1crr n ARG 73 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1crr n THR 74 N -2.63 1.29 -0.58 8.89 -2.24 -1.06 -4.99 114.28 112.95 1crr n THR 74 Ca -0.07 -0.06 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 1crr n THR 74 Cb 0.69 -1.96 0.25 0.00 -2.10 0.00 0.00 70.33 67.21 1crr n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1crr s GLY 75 N -5.06 1.53 0.00 3.38 0.00 -0.59 -4.92 107.32 101.66 1crr s GLY 75 Ca -0.26 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1crr s GLY 75 CO 0.35 0.50 0.00 1.18 0.00 0.00 0.00 173.10 175.13 1crr n GLU 76 N -4.97 0.00 -2.50 2.90 4.71 -1.01 -4.87 120.64 114.91 1crr n GLU 76 Ca 0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.79 1crr n GLU 76 Cb 0.55 -0.50 -0.03 0.00 -1.01 0.00 0.00 31.44 30.45 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 -1.50 1.09 -0.99 0.62 0.00 -0.89 -3.88 107.32 101.76 1crr s GLY 77 Ca 0.00 -2.05 -0.23 0.00 0.00 0.00 0.00 44.72 42.44 1crr s GLY 77 CO 0.00 2.78 1.41 -1.36 0.00 0.00 0.00 173.10 175.93 1crr s PHE 78 N 5.67 2.56 -1.26 1.90 0.40 -1.11 0.82 117.98 126.95 1crr s PHE 78 Ca 0.48 -0.82 -0.17 0.00 -0.60 0.00 0.00 56.93 55.81 1crr s PHE 78 Cb -0.02 -4.66 0.10 0.00 0.51 0.00 0.00 43.02 38.95 1crr s PHE 78 CO -0.06 -1.91 1.64 -1.17 0.70 0.00 0.00 175.22 174.42 1crr s LEU 79 N 4.85 4.15 -0.80 -0.37 2.96 -0.72 -2.29 118.68 126.46 1crr s LEU 79 Ca 0.44 -2.54 -0.26 0.00 -0.22 0.00 0.00 54.13 51.55 1crr s LEU 79 Cb -0.01 -2.53 -0.11 0.00 0.50 0.00 0.00 46.19 44.04 1crr s LEU 79 CO -0.08 -1.07 2.28 0.00 -1.32 0.00 0.00 176.35 176.15 1crr s VAL 81 N 13.32 3.40 -0.26 0.00 1.01 0.00 -2.15 120.40 135.73 1crr s VAL 81 Ca 0.86 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1crr s VAL 81 Cb -0.12 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 33.03 1crr s VAL 81 CO 0.07 -0.05 0.08 0.12 0.00 0.00 0.00 175.10 175.32 1crr s PHE 82 N 4.27 1.19 -0.34 5.22 5.36 -0.83 -4.22 117.98 128.64 1crr s PHE 82 Ca 0.78 -1.23 -0.29 0.00 -0.96 0.00 0.00 56.93 55.24 1crr s PHE 82 Cb -0.36 -1.29 -0.01 0.00 -0.34 0.00 0.00 43.02 41.02 1crr s PHE 82 CO 0.33 -0.76 1.58 0.00 -1.46 0.00 0.00 175.22 174.91 1crr s ALA 83 N 1.80 3.05 0.48 11.12 0.00 -1.26 -1.13 121.76 135.82 1crr s ALA 83 Ca 0.05 0.13 0.13 0.00 0.00 0.00 0.00 51.96 52.28 1crr s ALA 83 Cb -0.17 -3.94 1.14 0.00 0.00 0.00 0.00 23.12 20.15 1crr s ALA 83 CO -0.20 -2.35 2.11 -0.84 0.00 0.00 0.00 175.76 174.48 1crr h ILE 84 N 6.50 1.04 -1.22 0.00 -0.00 -1.71 -2.53 117.51 119.58 1crr h ILE 84 Ca -0.31 -0.11 -0.56 0.00 -0.00 0.00 0.00 64.86 63.88 1crr h ILE 84 Cb 1.14 0.91 -0.20 0.00 -0.00 0.00 0.00 36.82 38.66 1crr h ILE 84 CO 1.05 0.04 0.60 -3.20 -0.00 0.00 0.00 178.15 176.65 1crr n ASN 85 N -4.50 6.84 0.00 2.16 2.85 -1.26 -3.76 115.26 117.59 1crr n ASN 85 Ca -0.01 -3.40 0.00 0.00 -0.11 0.00 0.00 54.58 51.06 1crr n ASN 85 Cb 0.10 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 39.97 1crr n ASN 85 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1crr n ASN 86 N 0.31 0.00 0.00 1.20 2.85 -0.95 -4.92 115.26 113.74 1crr n ASN 86 Ca 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.96 1crr n ASN 86 Cb 0.48 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 -2.25 0.00 0.27 -0.44 -1.04 -1.24 -4.66 114.28 104.91 1crr n THR 87 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1crr n THR 87 Cb 0.00 0.00 0.73 0.00 -1.82 0.00 0.00 70.33 69.24 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 -0.42 -2.82 3.64 -1.96 -0.67 116.57 114.33 1crr h LYS 88 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 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 0.05 -0.10 0.77 -2.27 0.00 0.00 179.45 177.89 1crr h SER 89 N 0.00 0.74 -0.29 4.20 0.02 -1.83 -1.75 113.55 114.64 1crr h SER 89 Ca -0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1crr h SER 89 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1crr h SER 89 CO 0.01 0.87 0.13 0.15 -1.14 0.00 0.00 176.83 176.85 1crr h PHE 90 N 0.68 0.42 0.00 3.45 3.57 -1.42 -0.61 116.94 123.03 1crr h PHE 90 Ca 0.12 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1crr h PHE 90 Cb 0.57 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1crr h PHE 90 CO 0.03 0.39 -0.17 0.93 -2.23 0.00 0.00 178.31 177.25 1crr h GLU 91 N 0.33 0.00 0.00 1.11 4.39 -1.33 -1.32 114.58 117.76 1crr h GLU 91 Ca 0.10 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1crr h GLU 91 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1crr h GLU 91 CO -0.01 0.17 -0.31 -0.44 -1.16 0.00 0.00 179.01 177.27 1crr h ASP 92 N 0.00 0.00 1.30 1.42 5.19 -0.50 -3.12 116.42 120.71 1crr h ASP 92 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1crr h ASP 92 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1crr h ASP 92 CO 0.02 0.31 -0.48 0.40 -3.12 0.00 0.00 179.24 176.37 1crr h ILE 93 N 0.00 0.00 0.00 0.35 1.08 0.00 -1.88 117.51 117.06 1crr h ILE 93 Ca -0.00 -0.78 -0.13 0.00 -0.39 0.00 0.00 64.86 63.56 1crr h ILE 93 Cb 1.10 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.34 1crr h ILE 93 CO 0.04 0.00 -0.60 -0.74 -0.69 0.00 0.00 178.15 176.16 1crr h HIS 94 N 0.00 0.00 0.00 1.37 2.76 -1.37 -3.24 115.15 114.67 1crr h HIS 94 Ca 0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1crr h HIS 94 Cb 0.89 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1crr h HIS 94 CO 0.00 0.60 -1.80 1.04 -1.30 0.00 0.00 177.93 176.48 1crr n GLN 95 N -3.53 1.68 0.31 5.26 1.13 -1.24 -4.41 117.38 116.57 1crr n GLN 95 Ca -0.00 -0.03 0.19 0.00 -1.94 0.00 0.00 57.00 55.22 1crr n GLN 95 Cb 0.67 -1.32 0.95 0.00 0.11 0.00 0.00 30.24 30.65 1crr n GLN 95 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1crr h TYR 96 N 0.00 0.00 -0.52 1.08 -1.99 -1.45 -1.71 116.97 112.38 1crr h TYR 96 Ca -0.27 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.33 1crr h TYR 96 Cb 1.53 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 40.19 1crr h TYR 96 CO 0.00 0.02 0.17 0.54 -0.00 0.00 0.00 178.16 178.88 1crr n ARG 97 N -3.16 3.11 -0.01 4.88 1.74 -1.22 -3.74 116.66 118.26 1crr n ARG 97 Ca -0.01 -2.21 -0.01 0.00 -0.77 0.00 0.00 57.85 54.84 1crr n ARG 97 Cb 0.19 -1.98 -0.01 0.00 -1.02 0.00 0.00 32.46 29.64 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 0.04 0.04 0.23 5.56 -0.58 -0.64 -4.44 120.64 120.84 1crr n GLU 98 Ca 0.28 0.01 0.06 0.00 -0.42 0.00 0.00 57.16 57.09 1crr n GLU 98 Cb 1.08 -0.86 0.52 0.00 -0.57 0.00 0.00 31.44 31.61 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 -0.02 0.00 -0.43 3.49 4.15 -1.68 -0.56 115.11 120.06 1crr h GLN 99 Ca -0.04 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 1crr h GLN 99 Cb 1.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1crr h GLN 99 CO -0.01 0.19 -0.24 0.82 -1.93 0.00 0.00 178.83 177.65 1crr h ILE 100 N 0.00 1.27 0.00 2.39 2.04 -1.81 -0.90 117.51 120.49 1crr h ILE 100 Ca -0.00 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 1crr h ILE 100 Cb 0.35 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1crr h ILE 100 CO 0.02 0.47 -0.20 0.11 0.00 0.00 0.00 178.15 178.56 1crr h LYS 101 N 0.76 0.00 0.64 2.37 1.57 -1.41 -2.56 116.57 117.94 1crr h LYS 101 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1crr h LYS 101 Cb 0.79 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1crr h LYS 101 CO 0.07 0.20 -0.31 -0.09 -0.57 0.00 0.00 179.45 178.74 1crr h ARG 102 N 0.00 -0.83 0.01 3.15 2.43 0.20 0.39 114.38 119.72 1crr h ARG 102 Ca -0.00 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1crr h ARG 102 Cb 0.47 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1crr h ARG 102 CO 0.03 -0.52 -0.01 0.28 -1.51 0.00 0.00 179.97 178.23 1crr h VAL 103 N -1.17 0.00 0.00 0.20 2.07 -1.23 -1.80 116.25 114.32 1crr h VAL 103 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1crr h VAL 103 Cb 0.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 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 -0.01 0.00 -5.81 1.57 1.79 -1.61 -3.46 116.57 109.04 1crr h LYS 104 Ca -0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1crr h LYS 104 Cb 0.01 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 30.79 1crr h LYS 104 CO -0.00 0.00 -0.75 -3.47 -1.08 0.00 0.00 179.45 174.15 1crr n ASP 105 N -2.93 -3.59 -3.60 0.86 2.03 0.13 -4.96 116.55 104.49 1crr n ASP 105 Ca -0.02 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.67 1crr n ASP 105 Cb 0.11 -4.89 -0.01 0.00 -0.72 0.00 0.00 41.12 35.61 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 -3.94 -0.05 -0.83 1.67 0.01 -0.88 -5.01 113.70 104.67 1crr s SER 106 Ca 0.24 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.46 1crr s SER 106 Cb -0.11 0.10 0.27 0.00 0.21 0.00 0.00 66.02 66.48 1crr s SER 106 CO 0.75 -0.17 1.01 0.47 0.41 0.00 0.00 173.24 175.71 1crr n ASP 107 N -0.34 4.77 -2.71 2.44 9.92 -1.26 -4.49 116.55 124.87 1crr n ASP 107 Ca -0.05 -3.39 -0.04 0.00 -0.53 0.00 0.00 54.79 50.78 1crr n ASP 107 Cb 0.61 -0.94 0.09 0.00 -0.64 0.00 0.00 41.12 40.25 1crr n ASP 107 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1crr n ASP 108 N 1.24 -0.49 -4.93 -2.24 5.68 -1.26 -5.12 116.55 109.43 1crr n ASP 108 Ca 0.27 -2.32 -0.27 0.00 -0.50 0.00 0.00 54.79 51.97 1crr n ASP 108 Cb 0.37 0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.67 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 5.16 -1.23 2.12 1.01 -1.26 -4.96 120.40 120.04 1crr s VAL 109 Ca 0.19 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 1crr s VAL 109 Cb 0.41 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1crr s VAL 109 CO -0.07 -0.25 1.86 -0.81 0.00 0.00 0.00 175.10 175.82 1crr n PRO 110 N -0.87 2.39 -3.13 2.72 -0.05 -1.25 -4.93 135.00 129.89 1crr n PRO 110 Ca -0.04 -2.82 -0.33 0.00 -0.05 0.00 0.00 63.50 60.25 1crr n PRO 110 Cb 0.54 -3.57 -0.06 0.00 -0.05 0.00 0.00 33.50 30.36 1crr n PRO 110 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 175.50 176.86 1crr s MET 111 N 5.21 4.05 -0.17 0.54 1.75 -1.26 -2.75 119.30 126.66 1crr s MET 111 Ca 0.60 0.70 -0.06 0.00 -1.25 0.00 0.00 55.69 55.68 1crr s MET 111 Cb 0.03 -2.53 0.08 0.00 2.84 0.00 0.00 34.83 35.25 1crr s MET 111 CO 0.10 0.21 0.37 0.08 -0.65 0.00 0.00 175.02 175.12 1crr s VAL 112 N -1.89 -0.55 -0.64 10.11 1.01 -0.97 -4.50 120.40 122.98 1crr s VAL 112 Ca 0.52 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1crr s VAL 112 Cb -0.12 -0.59 0.11 0.00 0.00 0.00 0.00 36.38 35.79 1crr s VAL 112 CO 0.18 0.08 0.74 -0.22 0.00 0.00 0.00 175.10 175.89 1crr s LEU 113 N 2.50 5.46 0.38 3.92 2.96 -1.13 -1.56 118.68 131.20 1crr s LEU 113 Ca -0.01 -1.57 -0.17 0.00 -0.22 0.00 0.00 54.13 52.16 1crr s LEU 113 Cb -0.12 -2.30 -0.10 0.00 0.50 0.00 0.00 46.19 44.17 1crr s LEU 113 CO -0.11 -1.08 0.84 -0.69 -1.32 0.00 0.00 176.35 173.99 1crr s VAL 114 N 2.52 4.56 -0.69 1.68 1.01 -0.91 -2.50 120.40 126.06 1crr s VAL 114 Ca 0.14 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 1crr s VAL 114 Cb -0.22 -3.62 0.17 0.00 0.00 0.00 0.00 36.38 32.72 1crr s VAL 114 CO 0.04 -0.29 0.51 -0.83 0.00 0.00 0.00 175.10 174.53 1crr s GLY 115 N -2.35 2.72 0.74 4.51 0.00 0.94 -1.96 107.32 111.92 1crr s GLY 115 Ca 0.57 -3.52 -0.12 0.00 0.00 0.00 0.00 44.72 41.65 1crr s GLY 115 CO 0.17 1.11 1.11 0.21 0.00 0.00 0.00 173.10 175.70 1crr s ASN 116 N -0.04 4.64 -0.68 1.64 2.47 -0.28 -0.77 114.94 121.92 1crr s ASN 116 Ca 0.21 1.93 -0.01 0.00 0.42 0.00 0.00 52.86 55.41 1crr s ASN 116 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1crr s ASN 116 CO -0.07 -1.95 0.57 1.17 -3.72 0.00 0.00 177.10 173.10 1crr n LYS 117 N -3.11 -3.82 0.14 0.43 4.81 -0.23 -2.21 118.16 114.17 1crr n LYS 117 Ca 0.10 0.46 0.09 0.00 -0.87 0.00 0.00 58.31 58.09 1crr n LYS 117 Cb 0.52 -4.33 0.05 0.00 0.02 0.00 0.00 35.03 31.29 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1crr h ASP 119 N 0.00 0.90 -2.55 0.00 2.03 -1.92 -3.41 116.42 111.47 1crr h ASP 119 Ca -0.02 0.01 -0.52 0.00 -0.73 0.00 0.00 57.03 55.77 1crr h ASP 119 Cb 1.11 -0.18 0.04 0.00 -0.83 0.00 0.00 39.33 39.48 1crr h ASP 119 CO 0.01 0.57 1.10 -0.76 -1.03 0.00 0.00 179.24 179.13 1crr s LEU 120 N -10.01 4.40 0.03 0.15 1.43 -1.25 -4.91 118.68 108.51 1crr s LEU 120 Ca -0.11 2.79 -0.27 0.00 -1.03 0.00 0.00 54.13 55.51 1crr s LEU 120 Cb 0.20 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.68 1crr s LEU 120 CO 0.80 -1.00 1.30 0.00 0.23 0.00 0.00 176.35 177.68 1crr h ALA 121 N 8.25 -0.66 -2.62 4.21 0.00 -1.93 -3.44 119.26 123.07 1crr h ALA 121 Ca -0.46 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 53.73 1crr h ALA 121 Cb 1.21 0.25 0.18 0.00 0.00 0.00 0.00 17.79 19.43 1crr h ALA 121 CO 0.95 -0.75 0.35 0.00 0.00 0.00 0.00 179.25 179.81 1crr s ALA 122 N -5.18 1.90 -0.28 0.00 0.00 -1.26 -5.03 121.76 111.91 1crr s ALA 122 Ca -0.15 0.85 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 1crr s ALA 122 Cb 0.02 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.73 1crr s ALA 122 CO 0.53 -2.21 0.71 -0.98 0.00 0.00 0.00 175.76 173.81 1crr s ARG 123 N -4.10 0.77 -0.38 0.00 1.04 -1.26 -4.87 118.95 110.15 1crr s ARG 123 Ca 0.73 1.11 0.06 0.00 -1.04 0.00 0.00 55.73 56.59 1crr s ARG 123 Cb -0.29 0.27 0.66 0.00 -2.04 0.00 0.00 34.95 33.55 1crr s ARG 123 CO 0.50 -0.13 1.83 0.25 -0.04 0.00 0.00 175.30 177.71 1crr n THR 124 N 3.53 2.98 -3.53 4.99 -2.24 -1.25 -4.77 114.28 113.99 1crr n THR 124 Ca -0.17 -1.70 -0.25 0.00 -2.27 0.00 0.00 64.05 59.65 1crr n THR 124 Cb 0.57 -0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 1crr n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1crr s VAL 125 N -3.01 -0.15 0.16 2.28 1.01 -1.25 -4.81 120.40 114.63 1crr s VAL 125 Ca 0.53 -0.48 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 1crr s VAL 125 Cb 0.44 -0.83 -0.12 0.00 0.00 0.00 0.00 36.38 35.87 1crr s VAL 125 CO 0.11 -0.51 1.76 -0.62 0.00 0.00 0.00 175.10 175.85 1crr n GLU 126 N 5.27 2.71 0.30 2.72 1.02 -1.26 -4.83 120.64 126.58 1crr n GLU 126 Ca -0.06 0.98 0.20 0.00 -0.02 0.00 0.00 57.16 58.27 1crr n GLU 126 Cb 0.45 -2.84 1.08 0.00 -0.02 0.00 0.00 31.44 30.11 1crr n GLU 126 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1crr h SER 127 N 7.46 0.00 0.45 1.62 4.64 -1.99 -2.50 113.55 123.24 1crr h SER 127 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1crr h SER 127 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1crr h SER 127 CO 0.95 0.00 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.60 1crr h ARG 128 N 0.00 -0.58 -0.20 4.77 2.43 -2.00 -1.61 114.38 117.19 1crr h ARG 128 Ca 0.00 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1crr h ARG 128 Cb 0.03 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1crr h ARG 128 CO 0.00 -0.30 0.14 -0.56 -1.51 0.00 0.00 179.97 177.74 1crr h GLN 129 N -1.07 0.06 -0.33 0.20 3.07 -1.87 0.17 115.11 115.35 1crr h GLN 129 Ca -0.06 -0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.55 1crr h GLN 129 Cb 0.55 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1crr h GLN 129 CO 0.10 0.04 -0.30 0.00 0.09 0.00 0.00 178.83 178.76 1crr h ALA 130 N 1.90 0.85 -0.12 0.06 0.00 -1.38 -2.32 119.26 118.25 1crr h ALA 130 Ca 0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1crr h ALA 130 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1crr h ALA 130 CO -0.01 0.63 -0.26 1.96 0.00 0.00 0.00 179.25 181.58 1crr h GLN 131 N 0.59 0.22 0.00 0.00 4.20 0.04 -2.00 115.11 118.17 1crr h GLN 131 Ca 0.07 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1crr h GLN 131 Cb 0.81 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1crr h GLN 131 CO 0.07 0.48 -0.33 -0.44 -0.67 0.00 0.00 178.83 177.93 1crr h ASP 132 N 0.20 0.00 0.07 1.46 5.19 -0.97 -1.74 116.42 120.63 1crr h ASP 132 Ca 0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1crr h ASP 132 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1crr h ASP 132 CO 0.04 0.33 -0.03 0.25 -3.12 0.00 0.00 179.24 176.71 1crr h LEU 133 N 0.00 -0.08 -0.03 1.55 7.12 -0.85 -2.99 115.31 120.03 1crr h LEU 133 Ca -0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1crr h LEU 133 Cb 0.94 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1crr h LEU 133 CO 0.04 0.27 -0.02 0.00 -0.13 0.00 0.00 178.44 178.60 1crr h ALA 134 N -1.30 0.00 -0.24 1.25 0.00 -1.55 -1.50 119.26 115.91 1crr h ALA 134 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1crr h ALA 134 Cb 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1crr h ALA 134 CO 0.02 -0.51 0.27 -0.09 0.00 0.00 0.00 179.25 178.94 1crr h ARG 135 N -0.03 0.00 -0.37 0.00 2.43 -1.48 -0.05 114.38 114.88 1crr h ARG 135 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1crr h ARG 135 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1crr h ARG 135 CO -0.05 0.00 0.08 1.03 -1.51 0.00 0.00 179.97 179.53 1crr h SER 136 N 0.00 0.57 -0.29 -3.80 0.87 -1.11 -2.30 113.55 107.49 1crr h SER 136 Ca 0.12 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1crr h SER 136 Cb 0.66 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1crr h SER 136 CO -0.00 0.66 0.00 -1.22 -0.53 0.00 0.00 176.83 175.74 1crr n TYR 137 N -4.59 0.38 -3.28 2.24 4.01 -0.12 -4.94 117.16 110.87 1crr n TYR 137 Ca -0.01 -0.19 -0.16 0.00 -0.16 0.00 0.00 57.90 57.38 1crr n TYR 137 Cb 0.21 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.06 -1.16 3.06 2.72 0.00 -0.66 -5.03 105.19 105.18 1crr n GLY 138 Ca 0.13 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.38 0.19 0.48 -0.61 -4.36 -1.02 -4.99 121.20 107.51 1crr s ILE 139 Ca 0.44 -1.53 -0.22 0.00 -0.26 0.00 0.00 60.65 59.09 1crr s ILE 139 Cb -0.07 -1.15 -0.07 0.00 1.25 0.00 0.00 42.46 42.42 1crr s ILE 139 CO 0.75 -0.84 1.11 -2.16 0.24 0.00 0.00 174.94 174.04 1crr s PRO 140 N -3.19 3.71 -0.31 0.37 0.04 -1.26 -4.22 135.00 130.14 1crr s PRO 140 Ca 0.00 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1crr s PRO 140 Cb 0.03 -2.25 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1crr s PRO 140 CO -0.07 -0.55 -0.01 -0.47 0.04 0.00 0.00 177.00 175.94 1crr s TYR 141 N -1.72 3.42 0.50 0.56 5.04 -1.26 -2.86 117.35 121.04 1crr s TYR 141 Ca 0.66 -2.38 0.07 0.00 -2.44 0.00 0.00 57.07 52.98 1crr s TYR 141 Cb -0.24 -2.36 0.03 0.00 0.35 0.00 0.00 41.96 39.75 1crr s TYR 141 CO 0.28 -0.89 0.50 0.42 -1.34 0.00 0.00 175.55 174.52 1crr s ILE 142 N 1.10 2.15 -0.32 3.14 1.01 -1.04 -4.98 121.20 122.25 1crr s ILE 142 Ca -0.01 -1.31 0.02 0.00 0.00 0.00 0.00 60.65 59.35 1crr s ILE 142 Cb -0.20 -2.46 0.15 0.00 0.01 0.00 0.00 42.46 39.96 1crr s ILE 142 CO -0.05 0.00 0.36 -1.83 0.00 0.00 0.00 174.94 173.43 1crr s GLU 143 N -4.33 0.48 0.42 2.79 -1.05 -1.26 -0.04 118.70 115.71 1crr s GLU 143 Ca 0.46 -0.36 0.07 0.00 -0.15 0.00 0.00 54.97 55.00 1crr s GLU 143 Cb -0.04 -0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 33.05 1crr s GLU 143 CO 0.28 -1.10 0.34 -0.08 0.95 0.00 0.00 175.26 175.65 1crr s THR 144 N 2.03 2.51 0.00 1.83 -1.32 0.05 -4.68 115.64 116.07 1crr s THR 144 Ca 0.12 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1crr s THR 144 Cb -0.14 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 1crr s THR 144 CO -0.20 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 171.97 1crr n SER 145 N -1.49 0.18 0.00 8.08 2.88 -0.42 -1.07 113.62 121.79 1crr n SER 145 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1crr n SER 145 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1crr n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1crr n ALA 146 N -3.00 0.83 -0.48 -1.46 0.00 -1.26 -4.68 120.51 110.46 1crr n ALA 146 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1crr n ALA 146 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 1crr n ALA 146 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1crr n LYS 147 N -1.59 2.93 0.00 0.00 -0.00 -1.26 -4.13 118.16 114.11 1crr n LYS 147 Ca 0.00 -2.23 0.00 0.00 -0.00 0.00 0.00 58.31 56.08 1crr n LYS 147 Cb 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.07 1crr n LYS 147 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1crr n THR 148 N -0.08 0.00 -3.47 0.58 5.66 -1.26 -5.01 114.28 110.69 1crr n THR 148 Ca 0.31 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.06 1crr n THR 148 Cb 1.13 0.37 -0.00 0.00 -1.55 0.00 0.00 70.33 70.28 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1crr n ARG 149 N 0.00 -3.56 -3.51 1.09 1.74 -1.26 -4.90 116.66 106.26 1crr n ARG 149 Ca 0.00 0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 1crr n ARG 149 Cb 0.43 -5.21 -0.07 0.00 -1.02 0.00 0.00 32.46 26.58 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1crr s GLN 150 N -6.13 2.68 0.00 5.56 2.00 -1.26 -4.42 119.66 118.09 1crr s GLN 150 Ca 0.45 -1.91 0.00 0.00 -2.00 0.00 0.00 55.36 51.90 1crr s GLN 150 Cb -0.24 -4.02 0.00 0.00 0.80 0.00 0.00 33.01 29.56 1crr s GLN 150 CO 0.55 -1.22 0.00 0.41 -0.50 0.00 0.00 175.29 174.53 1crr n GLY 151 N 4.72 2.32 0.45 2.59 0.00 -1.26 -1.30 105.19 112.71 1crr n GLY 151 Ca -0.05 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.24 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 0.55 -0.07 1.61 2.07 -1.85 0.11 116.25 118.68 1crr h VAL 152 Ca 0.00 -0.05 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 1crr h VAL 152 Cb 0.00 0.39 0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1crr h VAL 152 CO 0.00 0.03 -0.93 -0.33 0.02 0.00 0.00 177.57 176.36 1crr h GLU 153 N 0.15 0.74 0.00 1.57 4.39 -1.91 -2.91 114.58 116.61 1crr h GLU 153 Ca 0.48 -0.71 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1crr h GLU 153 Cb 1.64 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 1crr h GLU 153 CO -0.09 1.29 -0.19 -0.44 -1.16 0.00 0.00 179.01 178.42 1crr h ASP 154 N 0.46 0.00 0.00 1.42 3.32 -1.21 -1.96 116.42 118.44 1crr h ASP 154 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1crr h ASP 154 Cb 1.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1crr h ASP 154 CO 0.19 0.19 -0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1crr h ALA 155 N 1.81 0.00 -0.24 3.45 0.00 -1.35 -2.89 119.26 120.04 1crr h ALA 155 Ca -0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1crr h ALA 155 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1crr h ALA 155 CO 0.02 0.00 0.18 0.74 0.00 0.00 0.00 179.25 180.20 1crr h PHE 156 N -0.61 0.00 0.04 0.00 -1.00 -1.59 -2.27 116.94 111.51 1crr h PHE 156 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1crr h PHE 156 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1crr h PHE 156 CO -0.00 0.00 -0.02 1.88 -1.61 0.00 0.00 178.31 178.56 1crr h TYR 157 N 0.00 -0.05 0.00 -0.55 -1.99 -1.49 -2.98 116.97 109.91 1crr h TYR 157 Ca 0.11 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1crr h TYR 157 Cb 0.47 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1crr h TYR 157 CO 0.00 0.59 0.00 1.15 -0.00 0.00 0.00 178.16 179.90 1crr h THR 158 N -0.82 0.00 0.00 -2.88 2.02 -1.27 -2.06 112.91 107.91 1crr h THR 158 Ca -0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1crr h THR 158 Cb 0.67 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1crr h THR 158 CO 0.01 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.83 1crr h LEU 159 N 0.00 -0.00 -1.68 2.58 4.07 -1.41 -2.89 115.31 115.98 1crr h LEU 159 Ca 0.00 -0.88 -0.04 0.00 0.08 0.00 0.00 57.88 57.04 1crr h LEU 159 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1crr h LEU 159 CO 0.00 0.90 -0.17 0.58 -1.08 0.00 0.00 178.44 178.66 1crr h VAL 160 N -0.92 0.68 -0.09 1.22 2.07 -1.32 -2.46 116.25 115.43 1crr h VAL 160 Ca -0.00 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1crr h VAL 160 Cb 0.89 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1crr h VAL 160 CO 0.00 0.17 -0.34 -0.09 0.02 0.00 0.00 177.57 177.33 1crr h ARG 161 N 0.00 0.40 -0.60 1.57 2.43 -1.45 -2.11 114.38 114.61 1crr h ARG 161 Ca -0.00 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1crr h ARG 161 Cb 0.44 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1crr h ARG 161 CO 0.02 0.93 0.11 0.93 -1.51 0.00 0.00 179.97 180.45 1crr h GLU 162 N -0.05 1.00 -0.39 0.20 4.39 -1.31 -2.44 114.58 115.96 1crr h GLU 162 Ca -0.02 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 1crr h GLU 162 Cb 0.97 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1crr h GLU 162 CO 0.07 0.93 -0.06 0.82 -1.16 0.00 0.00 179.01 179.61 1crr h ILE 163 N 0.90 1.24 -0.34 3.13 2.04 -1.48 -2.84 117.51 120.15 1crr h ILE 163 Ca 0.18 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1crr h ILE 163 Cb 0.41 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1crr h ILE 163 CO 0.01 0.35 0.16 0.03 0.00 0.00 0.00 178.15 178.69 1crr h ARG 164 N 0.61 0.50 -1.00 2.37 2.47 -1.03 -2.62 114.38 115.69 1crr h ARG 164 Ca 0.12 -0.08 0.21 0.00 -1.26 0.00 0.00 59.98 58.97 1crr h ARG 164 Cb 0.48 -0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 28.61 1crr h ARG 164 CO 0.02 0.46 0.62 0.37 0.56 0.00 0.00 179.97 182.00 1crr h GLN 165 N 0.41 0.62 0.00 0.04 -0.00 -1.20 -3.51 115.11 111.46 1crr h GLN 165 Ca 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1crr h GLN 165 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1crr h GLN 165 CO -0.01 0.41 0.00 1.58 0.00 0.00 0.00 178.83 180.80