#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 -3.56 1.12 -1.04 -1.26 -4.94 114.28 104.59 1crr n THR 2 Ca 0.00 -1.45 -0.28 0.00 -2.04 0.00 0.00 64.05 60.28 1crr n THR 2 Cb 0.00 0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 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 -2.93 1.25 0.55 -2.82 -1.05 -1.26 -0.92 118.70 111.52 1crr s GLU 3 Ca 0.14 -2.25 -0.13 0.00 -0.15 0.00 0.00 54.97 52.58 1crr s GLU 3 Cb 0.01 -1.98 -0.06 0.00 -0.44 0.00 0.00 34.13 31.65 1crr s GLU 3 CO 0.10 -1.30 0.99 0.71 0.95 0.00 0.00 175.26 176.70 1crr s TYR 4 N -0.07 3.53 0.20 4.83 2.02 -0.90 -4.89 117.35 122.07 1crr s TYR 4 Ca 0.27 1.34 0.07 0.00 -0.37 0.00 0.00 57.07 58.38 1crr s TYR 4 Cb -0.06 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.73 1crr s TYR 4 CO -0.13 -0.49 0.06 0.15 -1.57 0.00 0.00 175.55 173.57 1crr s LYS 5 N -4.57 2.59 -0.49 -0.62 1.02 -1.26 -2.23 119.74 114.18 1crr s LYS 5 Ca 0.56 -1.08 0.05 0.00 0.02 0.00 0.00 55.97 55.52 1crr s LYS 5 Cb -0.10 -2.43 0.18 0.00 -0.52 0.00 0.00 37.83 34.96 1crr s LYS 5 CO 0.42 0.44 0.42 1.28 -0.92 0.00 0.00 175.35 176.99 1crr n LEU 6 N -0.44 0.63 -4.56 3.17 4.32 -0.44 -1.76 117.00 117.92 1crr n LEU 6 Ca -0.09 -4.66 -0.21 0.00 -0.02 0.00 0.00 56.01 51.03 1crr n LEU 6 Cb 0.56 0.19 -0.06 0.00 -1.62 0.00 0.00 43.42 42.49 1crr n LEU 6 CO 0.41 1.87 1.37 -0.69 -1.22 0.00 0.00 177.39 179.13 1crr s VAL 7 N -0.58 3.14 0.53 4.08 1.01 0.33 -2.23 120.40 126.68 1crr s VAL 7 Ca 0.32 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 1crr s VAL 7 Cb 0.04 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 1crr s VAL 7 CO -0.17 -0.31 1.01 -0.69 0.00 0.00 0.00 175.10 174.93 1crr s VAL 8 N 12.96 4.25 0.09 2.92 1.01 -0.93 -2.15 120.40 138.55 1crr s VAL 8 Ca 0.86 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.94 1crr s VAL 8 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1crr s VAL 8 CO 0.08 -0.57 0.17 1.33 0.00 0.00 0.00 175.10 176.12 1crr n VAL 9 N -1.57 0.00 0.00 2.92 0.24 -0.91 -4.76 118.33 114.25 1crr n VAL 9 Ca 0.07 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1crr n VAL 9 Cb 0.54 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1crr n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1crr n GLY 10 N -0.12 0.92 3.65 7.63 0.00 -1.26 -1.75 105.19 114.26 1crr n GLY 10 Ca -0.02 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.03 1.12 -0.59 4.61 0.00 -1.25 -4.93 121.76 119.69 1crr s ALA 11 Ca 0.00 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 1crr s ALA 11 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1crr s ALA 11 CO 0.00 -2.89 0.85 0.20 0.00 0.00 0.00 175.76 173.92 1crr s GLY 12 N -2.74 1.52 0.00 0.00 0.00 -1.26 -3.79 107.32 101.04 1crr s GLY 12 Ca 0.66 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1crr s GLY 12 CO 0.59 1.87 0.00 0.61 0.00 0.00 0.00 173.10 176.17 1crr n GLY 13 N 5.24 1.88 0.07 0.20 0.00 -1.26 -5.02 105.19 106.31 1crr n GLY 13 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 1.30 0.00 1.61 -1.51 -1.96 -3.48 116.25 112.21 1crr h VAL 14 Ca 0.00 -3.07 0.00 0.00 -1.23 0.00 0.00 66.70 62.40 1crr h VAL 14 Cb 0.00 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1crr h VAL 14 CO 0.00 0.74 0.00 0.61 -1.23 0.00 0.00 177.57 177.69 1crr n GLY 15 N 1.44 1.92 0.22 5.19 0.00 -1.26 -4.46 105.19 108.24 1crr n GLY 15 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.69 0.38 1.61 1.57 -1.92 -2.60 116.57 116.30 1crr h LYS 16 Ca 0.00 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1crr h LYS 16 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1crr h LYS 16 CO 0.00 1.10 -0.18 0.77 -0.57 0.00 0.00 179.45 180.56 1crr h SER 17 N 0.51 -0.43 -0.82 0.86 0.02 -1.93 -2.16 113.55 109.60 1crr h SER 17 Ca -0.01 0.01 0.24 0.00 -0.84 0.00 0.00 61.79 61.20 1crr h SER 17 Cb 1.20 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1crr h SER 17 CO 0.12 -0.15 0.66 0.00 -1.14 0.00 0.00 176.83 176.32 1crr h ALA 18 N -1.45 2.70 -0.15 3.77 0.00 -1.90 0.22 119.26 122.45 1crr h ALA 18 Ca -0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1crr h ALA 18 Cb 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1crr h ALA 18 CO 0.09 -1.08 -0.23 -0.07 0.00 0.00 0.00 179.25 177.96 1crr h LEU 19 N 0.00 0.46 0.45 0.00 3.38 -1.40 -1.78 115.31 116.43 1crr h LEU 19 Ca 0.39 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1crr h LEU 19 Cb 1.70 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1crr h LEU 19 CO -0.00 0.90 -0.22 0.74 0.09 0.00 0.00 178.44 179.95 1crr h THR 20 N 0.04 0.00 -0.94 0.22 2.02 0.09 -2.93 112.91 111.41 1crr h THR 20 Ca 0.01 -0.06 0.22 0.00 0.77 0.00 0.00 66.41 67.36 1crr h THR 20 Cb 0.80 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1crr h THR 20 CO 0.05 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.96 1crr h ILE 21 N -0.66 0.64 -0.06 3.11 5.03 -1.46 -1.33 117.51 122.78 1crr h ILE 21 Ca -0.06 -0.14 0.03 0.00 -0.12 0.00 0.00 64.86 64.57 1crr h ILE 21 Cb 0.46 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 34.41 1crr h ILE 21 CO 0.10 0.07 -0.18 -0.61 -0.68 0.00 0.00 178.15 176.86 1crr h GLN 22 N 0.40 -0.25 0.00 2.37 4.15 -1.18 0.44 115.11 121.04 1crr h GLN 22 Ca 0.50 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.94 1crr h GLN 22 Cb 1.27 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.02 1crr h GLN 22 CO -0.20 -0.17 -0.01 1.25 -1.93 0.00 0.00 178.83 177.77 1crr h LEU 23 N -0.26 0.00 0.00 -2.39 5.85 -1.07 0.89 115.31 118.33 1crr h LEU 23 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1crr h LEU 23 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1crr h LEU 23 CO -0.21 0.01 0.00 -0.38 -0.34 0.00 0.00 178.44 177.52 1crr n ILE 24 N -4.35 0.00 1.10 4.05 5.41 0.05 -4.62 119.36 121.00 1crr n ILE 24 Ca -0.03 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.84 1crr n ILE 24 Cb 0.10 -0.37 0.60 0.00 -0.71 0.00 0.00 39.64 39.26 1crr n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1crr n GLN 25 N -0.45 0.28 -3.08 0.38 1.13 0.13 -4.98 117.38 110.79 1crr n GLN 25 Ca 0.00 0.06 -0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1crr n GLN 25 Cb 0.00 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.85 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 -1.33 -6.88 -3.43 1.08 0.23 0.31 -4.96 115.26 100.28 1crr n ASN 26 Ca 0.10 0.81 0.03 0.00 -0.53 0.00 0.00 54.58 54.99 1crr n ASN 26 Cb 0.21 -1.90 -0.05 0.00 -2.08 0.00 0.00 39.78 35.97 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1crr s HIS 27 N -0.44 -0.14 -0.34 -2.53 -3.43 -1.26 -5.00 115.29 102.16 1crr s HIS 27 Ca -0.02 0.25 -0.27 0.00 -0.80 0.00 0.00 55.06 54.22 1crr s HIS 27 Cb 0.00 0.08 -0.06 0.00 -1.43 0.00 0.00 32.58 31.17 1crr s HIS 27 CO 0.07 -0.07 2.31 0.34 -2.00 0.00 0.00 174.74 175.39 1crr n PHE 28 N 3.87 1.73 -3.38 0.38 7.35 -1.26 -4.75 117.46 121.40 1crr n PHE 28 Ca -0.12 -0.02 -0.21 0.00 -0.76 0.00 0.00 57.45 56.35 1crr n PHE 28 Cb 0.56 -2.69 -0.00 0.00 0.35 0.00 0.00 39.48 37.70 1crr n PHE 28 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1crr s VAL 29 N 9.89 4.25 -0.03 -2.13 -7.23 -1.26 -5.04 120.40 118.83 1crr s VAL 29 Ca 1.00 -0.81 -0.12 0.00 -1.81 0.00 0.00 61.98 60.24 1crr s VAL 29 Cb -0.29 -3.51 -0.07 0.00 0.56 0.00 0.00 36.38 33.07 1crr s VAL 29 CO 0.32 -0.25 0.55 0.44 -0.31 0.00 0.00 175.10 175.84 1crr h ASP 30 N 0.77 -0.36 0.00 4.85 3.32 -2.02 -3.45 116.42 119.53 1crr h ASP 30 Ca -0.47 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 1crr h ASP 30 Cb 1.25 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.78 1crr h ASP 30 CO 0.56 0.01 -0.25 -1.84 -1.72 0.00 0.00 179.24 176.00 1crr n GLU 31 N -4.64 0.00 -2.75 3.56 0.28 -1.26 -4.99 120.64 110.83 1crr n GLU 31 Ca -0.05 -0.85 -0.15 0.00 -0.16 0.00 0.00 57.16 55.95 1crr n GLU 31 Cb 0.17 0.49 -0.03 0.00 1.43 0.00 0.00 31.44 33.49 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 -0.44 -2.98 -1.84 9.36 -1.26 -2.49 117.16 117.51 1crr n TYR 32 Ca -0.24 0.25 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1crr n TYR 32 Cb 0.64 -0.77 0.01 0.00 -0.63 0.00 0.00 39.34 38.59 1crr n TYR 32 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1crr n ASP 33 N -0.51 -7.27 0.27 2.98 -0.08 -1.26 -4.71 116.55 105.97 1crr n ASP 33 Ca 0.00 0.80 0.18 0.00 -1.51 0.00 0.00 54.79 54.26 1crr n ASP 33 Cb 0.19 -3.70 0.93 0.00 2.34 0.00 0.00 41.12 40.88 1crr n ASP 33 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1crr h PRO 34 N 2.99 0.00 0.06 -0.67 0.11 -1.84 -1.75 132.00 130.91 1crr h PRO 34 Ca -0.06 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.80 1crr h PRO 34 Cb 0.62 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.76 1crr h PRO 34 CO 0.09 0.00 -1.01 1.79 -0.21 0.00 0.00 178.00 178.67 1crr h THR 35 N 0.00 1.33 -4.07 -1.15 1.35 -1.87 -3.29 112.91 105.21 1crr h THR 35 Ca 0.04 -2.32 -0.53 0.00 -0.55 0.00 0.00 66.41 63.05 1crr h THR 35 Cb 0.31 2.62 0.11 0.00 -1.73 0.00 0.00 68.15 69.47 1crr h THR 35 CO -0.00 0.70 0.51 -0.63 -0.25 0.00 0.00 175.52 175.84 1crr s ILE 36 N -3.09 2.53 -0.07 6.82 1.01 -0.66 -4.71 121.20 123.04 1crr s ILE 36 Ca -0.11 0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 1crr s ILE 36 Cb 0.05 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.39 1crr s ILE 36 CO 0.90 -0.05 0.27 -1.83 0.00 0.00 0.00 174.94 174.22 1crr s GLU 37 N -3.16 0.43 -0.26 2.79 4.04 -1.26 -4.13 118.70 117.15 1crr s GLU 37 Ca 0.75 0.14 -0.35 0.00 0.04 0.00 0.00 54.97 55.54 1crr s GLU 37 Cb -0.33 0.20 0.16 0.00 0.02 0.00 0.00 34.13 34.18 1crr s GLU 37 CO 0.37 -0.08 1.32 0.34 -1.84 0.00 0.00 175.26 175.36 1crr s ASP 38 N -0.42 -0.06 0.39 0.83 2.15 -1.26 -4.97 116.67 113.33 1crr s ASP 38 Ca -0.05 0.02 -0.25 0.00 0.43 0.00 0.00 52.55 52.69 1crr s ASP 38 Cb -0.04 0.06 -0.09 0.00 -0.30 0.00 0.00 42.92 42.56 1crr s ASP 38 CO 0.01 -0.09 1.18 -0.94 -0.17 0.00 0.00 175.17 175.16 1crr s SER 39 N -1.80 6.55 -0.22 -0.34 1.04 -1.26 -4.58 113.70 113.08 1crr s SER 39 Ca 0.10 2.37 0.01 0.00 0.48 0.00 0.00 55.95 58.91 1crr s SER 39 Cb -0.01 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 1crr s SER 39 CO -0.04 -0.66 -0.07 -0.31 0.98 0.00 0.00 173.24 173.14 1crr s TYR 40 N -1.39 2.41 0.17 5.02 2.02 -1.07 -5.03 117.35 119.48 1crr s TYR 40 Ca 0.56 -1.70 0.07 0.00 -0.37 0.00 0.00 57.07 55.63 1crr s TYR 40 Cb -0.31 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1crr s TYR 40 CO 0.39 -0.76 0.02 1.03 -1.57 0.00 0.00 175.55 174.67 1crr s ARG 41 N 1.39 2.50 -0.15 -0.62 0.52 -1.26 -2.32 118.95 119.01 1crr s ARG 41 Ca -0.04 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 1crr s ARG 41 Cb -0.18 -2.42 0.12 0.00 0.52 0.00 0.00 34.95 32.99 1crr s ARG 41 CO -0.07 0.47 0.97 0.21 0.02 0.00 0.00 175.30 176.89 1crr s LYS 42 N -2.93 0.64 -0.31 3.54 2.36 -1.25 -5.04 119.74 116.75 1crr s LYS 42 Ca 0.28 0.16 -0.15 0.00 -2.55 0.00 0.00 55.97 53.71 1crr s LYS 42 Cb -0.10 0.30 -0.03 0.00 -1.05 0.00 0.00 37.83 36.96 1crr s LYS 42 CO 0.19 -0.20 0.35 -1.14 1.55 0.00 0.00 175.35 176.10 1crr s GLN 43 N -1.10 3.78 0.53 4.03 0.74 -1.26 -2.89 119.66 123.49 1crr s GLN 43 Ca -0.03 -0.23 0.06 0.00 0.05 0.00 0.00 55.36 55.21 1crr s GLN 43 Cb -0.00 -3.73 0.03 0.00 1.10 0.00 0.00 33.01 30.40 1crr s GLN 43 CO 0.02 -0.39 0.38 0.08 -0.55 0.00 0.00 175.29 174.83 1crr s VAL 44 N 2.01 1.73 -0.31 1.34 1.01 -1.25 -4.99 120.40 119.94 1crr s VAL 44 Ca 0.12 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1crr s VAL 44 Cb -0.16 -2.23 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1crr s VAL 44 CO 0.11 0.00 0.08 -0.69 0.00 0.00 0.00 175.10 174.60 1crr s VAL 45 N -2.75 1.19 0.00 2.92 1.01 -1.26 -2.69 120.40 118.82 1crr s VAL 45 Ca 0.34 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1crr s VAL 45 Cb -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1crr s VAL 45 CO 0.21 -0.61 0.22 -0.38 0.00 0.00 0.00 175.10 174.53 1crr n ILE 46 N 4.72 0.00 -2.79 2.22 2.08 -1.26 -4.56 119.36 119.77 1crr n ILE 46 Ca -0.02 0.55 -0.27 0.00 0.56 0.00 0.00 62.75 63.57 1crr n ILE 46 Cb 0.42 -1.21 -0.03 0.00 -0.75 0.00 0.00 39.64 38.08 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 -1.30 4.61 -2.03 4.38 9.92 -1.26 -4.85 116.55 126.03 1crr n ASP 47 Ca 0.00 -3.70 -0.20 0.00 -0.53 0.00 0.00 54.79 50.36 1crr n ASP 47 Cb 0.00 -0.54 -0.04 0.00 -0.64 0.00 0.00 41.12 39.90 1crr n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1crr n GLY 48 N -0.32 0.46 0.02 0.44 0.00 -1.26 -4.82 105.19 99.70 1crr n GLY 48 Ca 0.34 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.74 1.12 -2.34 1.61 4.07 -1.26 -5.10 120.64 116.00 1crr n GLU 49 Ca -0.23 -0.05 -0.02 0.00 -0.06 0.00 0.00 57.16 56.81 1crr n GLU 49 Cb 0.68 -1.20 -0.01 0.00 -0.06 0.00 0.00 31.44 30.85 1crr n GLU 49 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1crr n THR 50 N -1.96-12.63 -4.17 6.31 -1.04 -1.26 -4.10 114.28 95.43 1crr n THR 50 Ca -0.05 2.88 -0.26 0.00 -2.04 0.00 0.00 64.05 64.57 1crr n THR 50 Cb 0.40 -6.05 -0.17 0.00 -1.82 0.00 0.00 70.33 62.70 1crr n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1crr s LEU 52 N 1.28 4.39 -0.37 0.00 1.43 -0.10 -3.82 118.68 121.49 1crr s LEU 52 Ca -0.03 2.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.74 1crr s LEU 52 Cb -0.14 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.62 1crr s LEU 52 CO -0.04 -0.96 0.12 -0.76 0.23 0.00 0.00 176.35 174.94 1crr s LEU 53 N 2.71 4.97 -0.25 1.79 1.43 -1.14 -2.12 118.68 126.06 1crr s LEU 53 Ca 0.78 -2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 51.55 1crr s LEU 53 Cb -0.44 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1crr s LEU 53 CO 0.35 -0.45 0.84 -0.62 0.23 0.00 0.00 176.35 176.70 1crr s ASP 54 N 1.31 6.84 -0.06 2.29 -1.08 -0.94 -3.91 116.67 121.12 1crr s ASP 54 Ca 0.09 1.03 0.03 0.00 -0.52 0.00 0.00 52.55 53.18 1crr s ASP 54 Cb -0.21 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 38.79 1crr s ASP 54 CO -0.06 -0.54 -0.13 -0.63 0.52 0.00 0.00 175.17 174.33 1crr s ILE 55 N 2.89 3.18 -0.55 4.11 1.09 -0.98 -1.32 121.20 129.62 1crr s ILE 55 Ca 0.35 -0.67 -0.05 0.00 -1.10 0.00 0.00 60.65 59.18 1crr s ILE 55 Cb -0.15 -2.26 0.14 0.00 -1.06 0.00 0.00 42.46 39.13 1crr s ILE 55 CO 0.08 0.58 0.38 -0.22 -0.10 0.00 0.00 174.94 175.66 1crr s LEU 56 N -0.62 5.46 0.12 2.97 2.96 -0.95 -2.59 118.68 126.03 1crr s LEU 56 Ca 0.09 -2.41 0.24 0.00 -0.22 0.00 0.00 54.13 51.84 1crr s LEU 56 Cb -0.11 -1.91 0.35 0.00 0.50 0.00 0.00 46.19 45.02 1crr s LEU 56 CO 0.01 -0.51 1.33 -0.67 -1.32 0.00 0.00 176.35 175.19 1crr n ASP 57 N 4.15 0.70 -0.30 3.68 2.03 -1.26 -2.19 116.55 123.35 1crr n ASP 57 Ca 0.02 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1crr n ASP 57 Cb 0.40 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1crr n ASP 57 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1crr n THR 58 N -2.10 0.00 0.00 5.18 -2.24 -1.26 -4.80 114.28 109.06 1crr n THR 58 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1crr n THR 58 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1crr n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1crr n ALA 59 N 0.50 0.58 0.00 6.98 0.00 -1.26 -4.71 120.51 122.61 1crr n ALA 59 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1crr n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.62 0.17 3.64 0.00 0.00 -1.24 -4.80 105.19 105.58 1crr n GLY 60 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 46.02 46.68 1crr n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1crr s GLN 61 N 0.00 0.10 -0.39 1.61 -1.52 -1.26 -5.01 119.66 113.19 1crr s GLN 61 Ca 0.00 0.05 0.07 0.00 -1.95 0.00 0.00 55.36 53.53 1crr s GLN 61 Cb 0.00 0.05 0.67 0.00 -0.22 0.00 0.00 33.01 33.51 1crr s GLN 61 CO 0.00 -0.03 1.83 0.39 -0.25 0.00 0.00 175.29 177.23 1crr n GLU 62 N 0.87 2.68 0.00 2.91 -0.58 -1.26 -4.63 120.64 120.63 1crr n GLU 62 Ca -0.04 -3.05 0.00 0.00 -0.42 0.00 0.00 57.16 53.65 1crr n GLU 62 Cb 0.58 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 1crr n GLU 62 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1crr n GLU 63 N -0.83 0.00 -4.23 3.49 0.28 -1.26 -5.17 120.64 112.92 1crr n GLU 63 Ca 0.50 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.31 1crr n GLU 63 Cb 1.50 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 34.25 1crr n GLU 63 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1crr s TYR 64 N 0.00 1.29 0.00 -1.84 1.13 -1.26 -5.11 117.35 111.56 1crr s TYR 64 Ca 0.00 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 1crr s TYR 64 Cb 0.00 -0.73 0.00 0.00 -1.10 0.00 0.00 41.96 40.13 1crr s TYR 64 CO 0.00 0.07 0.00 0.43 -2.51 0.00 0.00 175.55 173.54 1crr n SER 65 N 1.39 0.00 -0.77 -0.18 7.64 -1.26 -4.50 113.62 115.95 1crr n SER 65 Ca -0.20 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.67 1crr n SER 65 Cb 0.54 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1crr n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1crr n ALA 66 N 0.91 2.40 0.41 -0.43 0.00 -1.26 -4.88 120.51 117.67 1crr n ALA 66 Ca 0.00 -0.83 0.10 0.00 0.00 0.00 0.00 53.44 52.70 1crr n ALA 66 Cb 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1crr n ALA 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1crr n MET 67 N 0.09 0.61 -0.01 0.00 0.00 -1.26 -3.70 117.12 112.85 1crr n MET 67 Ca -0.04 -0.10 -0.16 0.00 -0.00 0.00 0.00 57.70 57.39 1crr n MET 67 Cb 0.71 -1.44 -0.13 0.00 0.00 0.00 0.00 33.22 32.36 1crr n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1crr h ARG 68 N 0.00 0.19 -0.38 2.12 3.08 -1.90 0.11 114.38 117.60 1crr h ARG 68 Ca 0.00 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1crr h ARG 68 Cb 0.70 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1crr h ARG 68 CO 0.00 1.03 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.46 1crr h ASP 69 N -0.55 0.58 0.97 7.04 5.19 -1.90 -0.58 116.42 127.17 1crr h ASP 69 Ca -0.06 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.16 1crr h ASP 69 Cb 1.19 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 1crr h ASP 69 CO 0.07 0.67 -0.31 -0.61 -3.12 0.00 0.00 179.24 175.94 1crr h GLN 70 N 0.57 0.00 0.00 3.56 4.15 -1.63 -2.34 115.11 119.43 1crr h GLN 70 Ca 0.12 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1crr h GLN 70 Cb 0.41 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1crr h GLN 70 CO 0.02 0.31 -0.25 -0.92 -1.93 0.00 0.00 178.83 176.06 1crr h TYR 71 N 0.00 0.00 0.00 3.99 5.03 0.75 0.45 116.97 127.20 1crr h TYR 71 Ca -0.00 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1crr h TYR 71 Cb 0.87 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 1crr h TYR 71 CO 0.00 0.25 -0.25 0.52 -1.32 0.00 0.00 178.16 177.35 1crr h MET 72 N 0.00 0.00 0.00 1.82 2.86 -0.79 -0.71 114.93 118.11 1crr h MET 72 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1crr h MET 72 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1crr h MET 72 CO 0.03 0.25 -1.04 2.89 1.06 0.00 0.00 176.91 180.11 1crr n ARG 73 N -3.19 0.12 -0.06 1.72 -4.01 -0.99 -4.48 116.66 105.77 1crr n ARG 73 Ca 0.02 -0.02 -0.11 0.00 -1.04 0.00 0.00 57.85 56.70 1crr n ARG 73 Cb 0.60 -1.52 -0.04 0.00 -3.04 0.00 0.00 32.46 28.47 1crr n ARG 73 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1crr n THR 74 N -1.66 1.20 -1.25 8.89 -2.24 0.12 -5.03 114.28 114.30 1crr n THR 74 Ca 0.03 0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1crr n THR 74 Cb 0.37 -1.92 0.23 0.00 -2.10 0.00 0.00 70.33 66.92 1crr n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1crr n GLY 75 N 2.12 -2.45 0.00 3.38 0.00 -0.28 -4.99 105.19 102.98 1crr n GLY 75 Ca -0.19 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.52 3.52 -2.44 1.61 4.71 -1.26 -4.81 120.64 117.46 1crr n GLU 76 Ca 0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.92 1crr n GLU 76 Cb 0.57 -0.39 -0.03 0.00 -1.01 0.00 0.00 31.44 30.58 1crr n GLU 76 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1crr s GLY 77 N -0.25 1.04 -1.17 0.62 0.00 -0.72 -4.19 107.32 102.65 1crr s GLY 77 Ca 0.00 -2.17 -0.19 0.00 0.00 0.00 0.00 44.72 42.36 1crr s GLY 77 CO 0.00 2.88 1.58 -1.36 0.00 0.00 0.00 173.10 176.20 1crr s PHE 78 N 6.13 2.77 -1.10 1.90 0.08 -1.12 0.12 117.98 126.75 1crr s PHE 78 Ca 0.52 -1.37 -0.22 0.00 0.12 0.00 0.00 56.93 55.98 1crr s PHE 78 Cb -0.01 -4.68 0.05 0.00 -0.57 0.00 0.00 43.02 37.81 1crr s PHE 78 CO -0.06 -1.81 1.57 -1.17 -0.10 0.00 0.00 175.22 173.66 1crr s LEU 79 N 4.21 3.57 -1.09 -0.37 2.96 -0.91 -1.13 118.68 125.93 1crr s LEU 79 Ca 0.49 -1.71 -0.22 0.00 -0.22 0.00 0.00 54.13 52.46 1crr s LEU 79 Cb 0.02 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 1crr s LEU 79 CO 0.00 -1.50 1.77 0.00 -1.32 0.00 0.00 176.35 175.29 1crr s VAL 81 N 7.68 2.99 -0.30 0.00 1.01 -0.71 -1.53 120.40 129.55 1crr s VAL 81 Ca 0.60 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 1crr s VAL 81 Cb -0.01 -2.81 0.17 0.00 0.00 0.00 0.00 36.38 33.73 1crr s VAL 81 CO 0.02 -0.42 1.04 0.72 0.00 0.00 0.00 175.10 176.45 1crr s PHE 82 N -2.92 -0.58 0.04 5.22 -0.71 -0.18 -3.95 117.98 114.90 1crr s PHE 82 Ca 0.62 0.90 -0.30 0.00 -1.04 0.00 0.00 56.93 57.11 1crr s PHE 82 Cb -0.17 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 41.87 1crr s PHE 82 CO 0.56 -0.30 1.54 0.00 -1.34 0.00 0.00 175.22 175.68 1crr s ALA 83 N 2.51 3.64 0.27 1.99 0.00 -1.26 -2.05 121.76 126.86 1crr s ALA 83 Ca -0.01 1.06 0.21 0.00 0.00 0.00 0.00 51.96 53.22 1crr s ALA 83 Cb -0.06 -3.65 0.95 0.00 0.00 0.00 0.00 23.12 20.35 1crr s ALA 83 CO -0.16 -1.01 1.86 -0.84 0.00 0.00 0.00 175.76 175.61 1crr h ILE 84 N 4.85 0.81 -0.14 0.00 -0.00 -1.69 -2.28 117.51 119.05 1crr h ILE 84 Ca -0.40 -1.12 0.00 0.00 -0.00 0.00 0.00 64.86 63.33 1crr h ILE 84 Cb 1.19 1.69 0.00 0.00 -0.00 0.00 0.00 36.82 39.70 1crr h ILE 84 CO 0.92 0.27 0.00 -3.20 -0.00 0.00 0.00 178.15 176.14 1crr n ASN 85 N -3.64 1.06 -3.89 2.16 5.15 -1.26 -2.98 115.26 111.86 1crr n ASN 85 Ca -0.01 -1.72 -0.30 0.00 -0.60 0.00 0.00 54.58 51.95 1crr n ASN 85 Cb 0.40 -0.09 -0.15 0.00 -0.53 0.00 0.00 39.78 39.41 1crr n ASN 85 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1crr s ASN 86 N -1.39 4.05 0.52 1.20 3.84 -0.86 -4.91 114.94 117.39 1crr s ASN 86 Ca 0.26 -1.50 0.21 0.00 0.21 0.00 0.00 52.86 52.04 1crr s ASN 86 Cb 0.13 -1.16 1.39 0.00 -0.55 0.00 0.00 41.25 41.06 1crr s ASN 86 CO 0.20 -0.32 2.13 0.71 -2.79 0.00 0.00 177.10 177.03 1crr h THR 87 N 6.60 0.83 -0.20 -5.21 1.35 -1.81 -1.86 112.91 112.61 1crr h THR 87 Ca -0.14 -0.24 0.04 0.00 -0.55 0.00 0.00 66.41 65.53 1crr h THR 87 Cb 1.05 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1crr h THR 87 CO 0.45 0.06 0.14 0.50 -0.25 0.00 0.00 175.52 176.42 1crr h LYS 88 N 0.00 0.06 -0.75 4.72 3.64 -1.93 -0.22 116.57 122.08 1crr h LYS 88 Ca -0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1crr h LYS 88 Cb 0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1crr h LYS 88 CO 0.01 0.04 0.24 0.77 -2.27 0.00 0.00 179.45 178.24 1crr h SER 89 N 0.07 1.08 0.25 4.20 0.02 -1.60 -0.37 113.55 117.20 1crr h SER 89 Ca 0.09 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1crr h SER 89 Cb 0.28 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1crr h SER 89 CO -0.01 1.00 -0.12 0.15 -1.14 0.00 0.00 176.83 176.71 1crr h PHE 90 N 1.11 -0.31 0.00 3.45 3.57 -1.15 -0.36 116.94 123.25 1crr h PHE 90 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1crr h PHE 90 Cb 0.30 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1crr h PHE 90 CO 0.03 -0.18 0.00 0.93 -2.23 0.00 0.00 178.31 176.86 1crr h GLU 91 N -0.36 0.00 0.00 1.11 4.39 -1.28 -1.88 114.58 116.56 1crr h GLU 91 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1crr h GLU 91 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1crr h GLU 91 CO 0.06 0.00 -0.92 -0.44 -1.16 0.00 0.00 179.01 176.54 1crr h ASP 92 N 0.00 0.00 0.76 1.42 5.19 0.17 -3.27 116.42 120.68 1crr h ASP 92 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 1crr h ASP 92 Cb 0.22 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1crr h ASP 92 CO 0.00 0.20 -1.23 0.40 -3.12 0.00 0.00 179.24 175.49 1crr h ILE 93 N 0.00 1.48 0.07 0.35 1.08 -0.27 -1.74 117.51 118.47 1crr h ILE 93 Ca -0.04 -3.15 -0.00 0.00 -0.39 0.00 0.00 64.86 61.27 1crr h ILE 93 Cb 1.19 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 37.76 1crr h ILE 93 CO 0.02 0.88 -0.03 -0.74 -0.69 0.00 0.00 178.15 177.58 1crr h HIS 94 N 0.03 -0.08 -0.15 1.37 2.76 -1.63 -0.89 115.15 116.55 1crr h HIS 94 Ca -0.11 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 57.93 1crr h HIS 94 Cb 1.89 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.87 1crr h HIS 94 CO 0.03 0.23 -0.46 1.96 -1.30 0.00 0.00 177.93 178.39 1crr h GLN 95 N -0.41 0.38 0.00 5.26 4.20 -1.67 -1.86 115.11 121.01 1crr h GLN 95 Ca -0.01 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1crr h GLN 95 Cb 0.35 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1crr h GLN 95 CO 0.02 0.77 0.00 1.88 -0.67 0.00 0.00 178.83 180.82 1crr h TYR 96 N 0.31 0.00 -0.32 2.96 -1.99 -1.20 -1.75 116.97 114.98 1crr h TYR 96 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1crr h TYR 96 Cb 0.93 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1crr h TYR 96 CO 0.03 0.00 0.00 -2.13 -0.00 0.00 0.00 178.16 176.06 1crr n ARG 97 N -2.48 3.02 -0.02 4.88 0.00 -0.35 -3.74 116.66 117.98 1crr n ARG 97 Ca 0.01 -1.68 -0.03 0.00 -0.00 0.00 0.00 57.85 56.15 1crr n ARG 97 Cb 0.21 -1.87 -0.02 0.00 0.00 0.00 0.00 32.46 30.78 1crr n ARG 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1crr n GLU 98 N 0.36 0.62 -0.06 -0.14 -0.58 -0.66 -4.41 120.64 115.77 1crr n GLU 98 Ca 0.15 0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.85 1crr n GLU 98 Cb 0.73 -1.09 0.13 0.00 -0.57 0.00 0.00 31.44 30.65 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 0.69 0.00 3.49 -0.00 -1.67 -0.88 115.11 116.75 1crr h GLN 99 Ca -0.10 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.27 1crr h GLN 99 Cb 1.16 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.59 1crr h GLN 99 CO -0.01 0.84 -0.14 0.82 0.00 0.00 0.00 178.83 180.34 1crr h ILE 100 N 0.61 0.75 -0.01 2.39 2.04 -1.81 -0.54 117.51 120.94 1crr h ILE 100 Ca 0.09 -0.54 -0.17 0.00 1.00 0.00 0.00 64.86 65.24 1crr h ILE 100 Cb 0.67 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1crr h ILE 100 CO 0.05 0.13 -0.76 0.11 0.00 0.00 0.00 178.15 177.68 1crr h LYS 101 N 0.00 0.10 0.58 2.37 1.57 -1.37 -2.57 116.57 117.25 1crr h LYS 101 Ca -0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1crr h LYS 101 Cb 0.31 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1crr h LYS 101 CO 0.02 0.81 -0.28 0.00 -0.57 0.00 0.00 179.45 179.43 1crr h ARG 102 N 0.06 -0.75 0.00 3.15 3.08 -0.40 0.32 114.38 119.83 1crr h ARG 102 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1crr h ARG 102 Cb 1.34 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1crr h ARG 102 CO 0.11 -0.47 0.00 0.28 -1.07 0.00 0.00 179.97 178.82 1crr n VAL 103 N -5.31 0.00 0.27 2.04 0.31 -0.91 -1.55 118.33 113.19 1crr n VAL 103 Ca -0.10 1.49 0.16 0.00 -0.01 0.00 0.00 64.34 65.88 1crr n VAL 103 Cb 0.33 -2.33 0.78 0.00 -0.91 0.00 0.00 33.84 31.71 1crr n VAL 103 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1crr h LYS 104 N 0.00 0.00 -5.54 5.55 1.79 -1.61 -3.46 116.57 113.31 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 0.00 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 30.78 1crr h LYS 104 CO 0.00 0.00 -0.64 -3.47 -1.08 0.00 0.00 179.45 174.26 1crr n ASP 105 N -2.62 -5.83 0.00 0.86 2.03 0.10 -4.94 116.55 106.15 1crr n ASP 105 Ca -0.01 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1crr n ASP 105 Cb 0.12 -4.76 0.00 0.00 -0.72 0.00 0.00 41.12 35.76 1crr n ASP 105 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1crr n SER 106 N -2.76 0.00 -3.55 1.67 7.64 -0.77 -5.00 113.62 110.86 1crr n SER 106 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 1crr n SER 106 Cb 0.56 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1crr n SER 106 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1crr n ASP 107 N 0.00 4.50 -2.75 6.43 5.68 -1.26 -4.29 116.55 124.86 1crr n ASP 107 Ca 0.00 -3.45 -0.02 0.00 -0.50 0.00 0.00 54.79 50.82 1crr n ASP 107 Cb 0.00 -0.82 0.09 0.00 -1.14 0.00 0.00 41.12 39.25 1crr n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1crr n ASP 108 N 0.91 0.05 -4.90 -1.12 -0.08 -1.26 -5.10 116.55 105.04 1crr n ASP 108 Ca 0.29 -2.19 -0.30 0.00 -1.51 0.00 0.00 54.79 51.08 1crr n ASP 108 Cb 0.39 0.11 -0.04 0.00 2.34 0.00 0.00 41.12 43.92 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 -1.83 5.13 -0.92 5.18 1.01 -1.26 -4.96 120.40 122.75 1crr s VAL 109 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1crr s VAL 109 Cb 0.39 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1crr s VAL 109 CO -0.07 -0.07 2.11 -2.84 0.00 0.00 0.00 175.10 174.22 1crr s PRO 110 N -2.94 2.11 0.60 2.72 0.02 -1.26 -4.91 135.00 131.34 1crr s PRO 110 Ca 0.42 -0.16 -0.03 0.00 0.02 0.00 0.00 61.00 61.25 1crr s PRO 110 Cb -0.12 -4.99 0.03 0.00 0.02 0.00 0.00 34.50 29.45 1crr s PRO 110 CO 0.26 -4.00 0.86 1.41 -0.33 0.00 0.00 177.00 175.20 1crr s MET 111 N 7.68 2.54 -0.34 5.54 1.75 -1.26 -2.81 119.30 132.40 1crr s MET 111 Ca 0.78 -0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.82 1crr s MET 111 Cb -0.08 -2.36 0.18 0.00 2.84 0.00 0.00 34.83 35.41 1crr s MET 111 CO 0.05 -0.84 0.52 0.08 -0.65 0.00 0.00 175.02 174.19 1crr s VAL 112 N -2.94 -0.80 -0.82 10.11 1.01 -0.28 -4.25 120.40 122.42 1crr s VAL 112 Ca 0.57 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1crr s VAL 112 Cb -0.10 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1crr s VAL 112 CO 0.41 -0.16 1.47 -0.22 0.00 0.00 0.00 175.10 176.60 1crr s LEU 113 N 2.26 3.28 -0.12 3.92 2.96 -1.00 -0.73 118.68 129.25 1crr s LEU 113 Ca 0.13 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1crr s LEU 113 Cb -0.10 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1crr s LEU 113 CO -0.18 -1.89 0.26 -0.69 -1.32 0.00 0.00 176.35 172.53 1crr s VAL 114 N 6.32 5.32 -0.35 1.68 1.01 -0.58 -2.81 120.40 130.99 1crr s VAL 114 Ca 0.46 0.47 -0.09 0.00 0.00 0.00 0.00 61.98 62.82 1crr s VAL 114 Cb -0.06 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1crr s VAL 114 CO 0.07 0.50 0.16 -0.83 0.00 0.00 0.00 175.10 174.99 1crr s GLY 115 N -0.32 1.88 0.59 4.51 0.00 -0.88 -1.01 107.32 112.11 1crr s GLY 115 Ca 0.17 -1.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.18 1crr s GLY 115 CO 0.05 0.80 0.85 0.21 0.00 0.00 0.00 173.10 175.01 1crr s ASN 116 N 1.50 5.19 -0.89 1.64 2.47 -0.87 -0.30 114.94 123.68 1crr s ASN 116 Ca 0.01 0.21 -0.04 0.00 0.42 0.00 0.00 52.86 53.45 1crr s ASN 116 Cb -0.19 -1.05 0.00 0.00 -1.45 0.00 0.00 41.25 38.56 1crr s ASN 116 CO 0.05 -1.25 0.77 0.29 -3.72 0.00 0.00 177.10 173.24 1crr n LYS 117 N -2.52 -5.16 0.05 0.43 5.02 -0.48 -2.31 118.16 113.19 1crr n LYS 117 Ca 0.07 0.56 -0.04 0.00 -2.02 0.00 0.00 58.31 56.89 1crr n LYS 117 Cb 0.60 -4.79 -0.08 0.00 -0.02 0.00 0.00 35.03 30.74 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1crr n ASP 119 N -3.14 1.79 0.00 0.00 5.75 -1.26 -4.74 116.55 114.94 1crr n ASP 119 Ca -0.06 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1crr n ASP 119 Cb 0.89 -1.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 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 18.84 0.00 -0.05 -2.12 -0.00 -1.26 -5.08 117.00 127.34 1crr n LEU 120 Ca 0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.38 1crr n LEU 120 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.81 1crr n LEU 120 CO 0.54 0.00 -0.83 0.00 -0.00 0.00 0.00 177.39 177.10 1crr n ALA 121 N 0.00 2.28 -1.72 1.47 0.00 -1.26 -4.88 120.51 116.40 1crr n ALA 121 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 1crr n ALA 121 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.18 1.17 -0.73 0.00 0.00 -1.26 -4.88 121.76 113.87 1crr s ALA 122 Ca -0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 1crr s ALA 122 Cb 0.05 -4.52 0.10 0.00 0.00 0.00 0.00 23.12 18.75 1crr s ALA 122 CO 0.18 -5.30 0.94 1.03 0.00 0.00 0.00 175.76 172.61 1crr s ARG 123 N 8.21 3.27 0.22 0.00 0.52 -1.26 -4.86 118.95 125.05 1crr s ARG 123 Ca 0.86 -1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1crr s ARG 123 Cb -0.12 -4.46 0.22 0.00 0.52 0.00 0.00 34.95 31.11 1crr s ARG 123 CO 0.09 -1.71 1.59 1.79 0.02 0.00 0.00 175.30 177.08 1crr h THR 124 N 5.87 1.30 -3.59 0.02 1.35 -1.90 -3.39 112.91 112.57 1crr h THR 124 Ca -0.14 -1.57 -0.64 0.00 -0.55 0.00 0.00 66.41 63.52 1crr h THR 124 Cb 1.06 1.55 -0.14 0.00 -1.73 0.00 0.00 68.15 68.89 1crr h THR 124 CO 1.12 0.49 0.19 -0.69 -0.25 0.00 0.00 175.52 176.39 1crr s VAL 125 N -4.25 4.80 0.52 6.82 1.01 -1.16 -5.03 120.40 123.12 1crr s VAL 125 Ca -0.07 0.35 -0.22 0.00 0.00 0.00 0.00 61.98 62.03 1crr s VAL 125 Cb 0.12 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1crr s VAL 125 CO 0.82 -0.54 1.35 -1.61 0.00 0.00 0.00 175.10 175.12 1crr s GLU 126 N 2.91 3.28 0.05 2.72 0.41 -1.26 -4.92 118.70 121.88 1crr s GLU 126 Ca 0.25 2.21 -0.26 0.00 -0.41 0.00 0.00 54.97 56.75 1crr s GLU 126 Cb -0.14 -2.33 -0.17 0.00 -1.78 0.00 0.00 34.13 29.72 1crr s GLU 126 CO 0.19 -1.07 1.51 1.03 -0.49 0.00 0.00 175.26 176.42 1crr h SER 127 N 1.64 -0.30 0.02 -0.19 0.87 -1.95 -2.28 113.55 111.35 1crr h SER 127 Ca -0.51 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1crr h SER 127 Cb 1.29 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1crr h SER 127 CO 0.58 -0.09 0.00 0.08 -0.53 0.00 0.00 176.83 176.87 1crr h ARG 128 N -0.52 0.00 0.18 2.24 -0.00 -1.98 -2.11 114.38 112.19 1crr h ARG 128 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 1crr h ARG 128 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.35 1crr h ARG 128 CO 0.06 0.00 -0.09 1.96 -0.00 0.00 0.00 179.97 181.90 1crr h GLN 129 N 0.00 -0.23 0.00 0.08 1.08 -1.78 -1.17 115.11 113.09 1crr h GLN 129 Ca 0.00 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1crr h GLN 129 Cb 0.01 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1crr h GLN 129 CO 0.00 0.18 -0.11 0.00 -0.95 0.00 0.00 178.83 177.95 1crr h ALA 130 N -0.23 1.61 0.00 3.87 0.00 -1.22 -0.85 119.26 122.43 1crr h ALA 130 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1crr h ALA 130 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1crr h ALA 130 CO 0.04 0.14 -0.71 1.96 0.00 0.00 0.00 179.25 180.68 1crr h GLN 131 N 0.00 0.00 0.00 0.00 4.20 -1.33 -1.93 115.11 116.05 1crr h GLN 131 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1crr h GLN 131 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1crr h GLN 131 CO 0.01 0.71 -0.56 -0.44 -0.67 0.00 0.00 178.83 177.88 1crr h ASP 132 N 0.00 0.00 0.00 1.46 5.19 0.13 -2.62 116.42 120.58 1crr h ASP 132 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1crr h ASP 132 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1crr h ASP 132 CO 0.09 0.56 -0.34 0.25 -3.12 0.00 0.00 179.24 176.69 1crr h LEU 133 N 0.00 0.00 -0.65 1.55 6.46 -1.34 -3.28 115.31 118.06 1crr h LEU 133 Ca -0.01 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1crr h LEU 133 Cb 1.19 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1crr h LEU 133 CO 0.07 0.57 0.34 0.00 -0.62 0.00 0.00 178.44 178.80 1crr h ALA 134 N -1.19 0.87 0.85 1.25 0.00 -1.51 -0.28 119.26 119.25 1crr h ALA 134 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1crr h ALA 134 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1crr h ALA 134 CO 0.00 -0.02 -0.48 -0.09 0.00 0.00 0.00 179.25 178.66 1crr h ARG 135 N 0.61 -1.19 0.00 0.00 2.43 -1.64 -1.45 114.38 113.15 1crr h ARG 135 Ca 0.30 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1crr h ARG 135 Cb 0.25 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1crr h ARG 135 CO -0.21 -0.79 0.00 1.03 -1.51 0.00 0.00 179.97 178.49 1crr h SER 136 N -1.23 0.00 0.95 -3.80 0.87 -1.58 -1.52 113.55 107.23 1crr h SER 136 Ca -0.11 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.23 1crr h SER 136 Cb 0.97 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 1crr h SER 136 CO 0.14 0.00 -1.09 1.88 -0.53 0.00 0.00 176.83 177.23 1crr h TYR 137 N 0.00 0.00 -0.21 2.24 -1.99 -0.29 -3.48 116.97 113.23 1crr h TYR 137 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1crr h TYR 137 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1crr h TYR 137 CO 0.00 0.93 0.00 0.41 -0.00 0.00 0.00 178.16 179.50 1crr n GLY 138 N 1.38 1.04 2.98 3.88 0.00 -0.57 -5.08 105.19 108.82 1crr n GLY 138 Ca -0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.21 0.05 0.67 -0.61 -4.36 -0.96 -4.87 121.20 108.91 1crr s ILE 139 Ca 0.00 -0.43 -0.16 0.00 -0.26 0.00 0.00 60.65 59.79 1crr s ILE 139 Cb 0.00 -0.21 0.00 0.00 1.25 0.00 0.00 42.46 43.51 1crr s ILE 139 CO 0.00 -0.24 1.20 -2.16 0.24 0.00 0.00 174.94 173.98 1crr s PRO 140 N -0.73 2.55 -0.09 0.37 0.04 -1.26 -4.26 135.00 131.62 1crr s PRO 140 Ca -0.08 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1crr s PRO 140 Cb -0.05 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1crr s PRO 140 CO -0.00 -1.52 -0.23 -0.47 0.04 0.00 0.00 177.00 174.82 1crr s TYR 141 N -1.87 2.46 0.30 0.56 5.04 -1.26 -2.39 117.35 120.20 1crr s TYR 141 Ca 0.75 -0.96 0.05 0.00 -2.44 0.00 0.00 57.07 54.47 1crr s TYR 141 Cb -0.29 -1.65 -0.03 0.00 0.35 0.00 0.00 41.96 40.35 1crr s TYR 141 CO 0.40 -0.37 0.26 0.42 -1.34 0.00 0.00 175.55 174.91 1crr s ILE 142 N 0.27 0.00 0.43 3.14 1.01 -1.12 -5.03 121.20 119.89 1crr s ILE 142 Ca -0.16 -1.97 0.06 0.00 0.00 0.00 0.00 60.65 58.58 1crr s ILE 142 Cb -0.17 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.73 1crr s ILE 142 CO 0.08 0.00 0.04 -1.61 0.00 0.00 0.00 174.94 173.45 1crr s GLU 143 N -3.60 2.04 -0.17 2.79 0.41 -1.26 -2.07 118.70 116.85 1crr s GLU 143 Ca 0.40 -2.11 -0.28 0.00 -0.41 0.00 0.00 54.97 52.56 1crr s GLU 143 Cb 0.03 -1.69 0.09 0.00 -1.78 0.00 0.00 34.13 30.78 1crr s GLU 143 CO 0.24 -0.12 0.81 0.95 -0.49 0.00 0.00 175.26 176.65 1crr s THR 144 N -2.72 0.00 -0.29 3.63 -4.23 0.59 -4.26 115.64 108.35 1crr s THR 144 Ca 0.32 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1crr s THR 144 Cb 0.08 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 73.09 1crr s THR 144 CO 0.17 0.00 0.48 -0.55 -0.54 0.00 0.00 174.62 174.17 1crr s SER 145 N -0.53 -0.36 0.24 3.99 0.15 0.14 -1.38 113.70 115.96 1crr s SER 145 Ca -0.04 -0.21 0.20 0.00 0.70 0.00 0.00 55.95 56.60 1crr s SER 145 Cb -0.02 1.44 0.95 0.00 -1.71 0.00 0.00 66.02 66.68 1crr s SER 145 CO 0.03 -0.33 1.61 0.00 1.20 0.00 0.00 173.24 175.76 1crr n ALA 146 N 5.34 1.35 1.42 5.45 0.00 -1.26 -1.91 120.51 130.90 1crr n ALA 146 Ca 0.03 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.62 1crr n ALA 146 Cb 0.51 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.13 1.43 -0.36 0.00 0.00 -1.26 -4.18 118.16 111.66 1crr n LYS 147 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 58.31 57.64 1crr n LYS 147 Cb 0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 35.03 33.98 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 0.02 0.00 -3.19 3.15 5.66 -0.83 -4.99 114.28 114.10 1crr n THR 148 Ca 0.07 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.87 1crr n THR 148 Cb 0.16 0.05 -0.01 0.00 -1.55 0.00 0.00 70.33 68.99 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 -3.12 -3.50 1.09 1.74 -0.80 -4.91 116.66 107.16 1crr n ARG 149 Ca -0.03 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 1crr n ARG 149 Cb 0.31 -5.13 -0.10 0.00 -1.02 0.00 0.00 32.46 26.52 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 -5.82 2.90 0.00 5.56 0.74 -1.07 -4.39 119.66 117.58 1crr s GLN 150 Ca 0.32 -1.13 0.00 0.00 0.05 0.00 0.00 55.36 54.60 1crr s GLN 150 Cb -0.17 -3.92 0.00 0.00 1.10 0.00 0.00 33.01 30.02 1crr s GLN 150 CO 0.39 -0.80 0.00 0.41 -0.55 0.00 0.00 175.29 174.75 1crr n GLY 151 N 5.10 2.95 0.33 2.59 0.00 -1.26 0.29 105.19 115.18 1crr n GLY 151 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.78 -0.15 1.61 2.07 -1.77 -1.00 116.25 117.79 1crr h VAL 152 Ca 0.00 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.07 1crr h VAL 152 Cb 0.00 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1crr h VAL 152 CO 0.00 0.13 -0.70 -0.33 0.02 0.00 0.00 177.57 176.70 1crr h GLU 153 N 0.74 0.63 0.00 1.57 5.08 -1.91 -3.00 114.58 117.69 1crr h GLU 153 Ca 0.49 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1crr h GLU 153 Cb 0.65 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1crr h GLU 153 CO -0.34 1.10 -0.06 0.22 -1.00 0.00 0.00 179.01 178.92 1crr h ASP 154 N 0.44 0.00 0.00 1.42 1.82 -1.57 -2.30 116.42 116.23 1crr h ASP 154 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1crr h ASP 154 Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1crr h ASP 154 CO 0.13 0.06 -0.11 0.00 -1.61 0.00 0.00 179.24 177.72 1crr h ALA 155 N 1.94 0.00 -0.59 -0.78 0.00 -1.15 -2.84 119.26 115.83 1crr h ALA 155 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1crr h ALA 155 Cb 0.39 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1crr h ALA 155 CO 0.01 0.11 0.39 0.74 0.00 0.00 0.00 179.25 180.49 1crr h PHE 156 N -0.94 0.63 0.07 0.00 0.04 -1.58 -2.34 116.94 112.81 1crr h PHE 156 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1crr h PHE 156 Cb 0.11 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1crr h PHE 156 CO -0.05 0.36 -0.03 1.88 -0.60 0.00 0.00 178.31 179.87 1crr h TYR 157 N 0.64 -0.09 -0.10 -0.55 -1.99 -1.57 -3.00 116.97 110.32 1crr h TYR 157 Ca 0.24 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.00 1crr h TYR 157 Cb 0.15 0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 1crr h TYR 157 CO -0.00 0.49 0.10 1.15 -0.00 0.00 0.00 178.16 179.90 1crr h THR 158 N -0.79 0.54 0.01 -2.88 2.02 -1.37 -2.19 112.91 108.25 1crr h THR 158 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1crr h THR 158 Cb 0.61 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1crr h THR 158 CO 0.02 0.00 -0.00 0.25 0.37 0.00 0.00 175.52 176.15 1crr h LEU 159 N 0.00 -0.01 -2.27 2.58 7.12 -1.45 -2.62 115.31 118.66 1crr h LEU 159 Ca 0.05 -0.79 -0.01 0.00 0.13 0.00 0.00 57.88 57.26 1crr h LEU 159 Cb 0.25 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1crr h LEU 159 CO -0.00 0.80 -0.03 0.58 -0.13 0.00 0.00 178.44 179.66 1crr h VAL 160 N -0.83 0.64 0.00 1.05 2.07 -1.33 -0.94 116.25 116.92 1crr h VAL 160 Ca -0.00 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.21 1crr h VAL 160 Cb 0.80 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1crr h VAL 160 CO 0.00 0.03 -0.88 -0.09 0.02 0.00 0.00 177.57 176.64 1crr h ARG 161 N 0.00 0.21 -0.09 1.57 2.43 -1.41 -2.19 114.38 114.90 1crr h ARG 161 Ca -0.00 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 58.80 1crr h ARG 161 Cb 0.06 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1crr h ARG 161 CO 0.00 0.96 -0.56 0.93 -1.51 0.00 0.00 179.97 179.80 1crr h GLU 162 N 0.12 0.27 0.04 0.20 4.39 -0.79 -2.62 114.58 116.19 1crr h GLU 162 Ca -0.05 -0.17 -0.24 0.00 0.34 0.00 0.00 59.36 59.24 1crr h GLU 162 Cb 1.51 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1crr h GLU 162 CO 0.14 0.76 -1.03 0.82 -1.16 0.00 0.00 179.01 178.54 1crr h ILE 163 N 0.21 1.44 0.73 3.13 2.04 -1.38 -3.09 117.51 120.58 1crr h ILE 163 Ca 0.00 -2.65 -0.04 0.00 1.00 0.00 0.00 64.86 63.17 1crr h ILE 163 Cb 1.05 2.58 0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1crr h ILE 163 CO 0.09 0.78 -0.35 -0.09 0.00 0.00 0.00 178.15 178.58 1crr h ARG 164 N 0.17 -0.94 -0.02 2.37 2.43 -1.31 -3.32 114.38 113.76 1crr h ARG 164 Ca -0.09 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1crr h ARG 164 Cb 1.69 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 1crr h ARG 164 CO 0.17 -0.63 -0.23 0.37 -1.51 0.00 0.00 179.97 178.14 1crr h GLN 165 N -1.17 -0.26 0.00 0.20 -0.00 -1.60 -3.51 115.11 108.76 1crr h GLN 165 Ca -0.10 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1crr h GLN 165 Cb 0.75 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.29 1crr h GLN 165 CO 0.16 -0.18 0.00 0.72 0.00 0.00 0.00 178.83 179.54