#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 -0.59 -3.96 1.12 -1.04 -1.26 -3.95 114.28 104.60 1crr n THR 2 Ca 0.00 0.79 -0.11 0.00 -2.04 0.00 0.00 64.05 62.68 1crr n THR 2 Cb 0.00 -1.28 -0.13 0.00 -1.82 0.00 0.00 70.33 67.10 1crr n THR 2 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1crr s GLU 3 N -3.92 0.22 0.03 -2.82 2.02 -1.26 -2.55 118.70 110.42 1crr s GLU 3 Ca 0.00 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1crr s GLU 3 Cb 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 1crr s GLU 3 CO 0.00 -0.00 -0.06 0.71 0.02 0.00 0.00 175.26 175.93 1crr s TYR 4 N -0.70 0.49 -0.24 1.61 2.02 -1.00 -5.00 117.35 114.53 1crr s TYR 4 Ca -0.07 -0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 1crr s TYR 4 Cb -0.05 -0.30 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 1crr s TYR 4 CO -0.00 -0.11 0.04 0.15 -1.57 0.00 0.00 175.55 174.06 1crr s LYS 5 N -1.38 3.60 -1.26 -0.62 1.02 -1.26 -1.08 119.74 118.75 1crr s LYS 5 Ca -0.11 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.22 1crr s LYS 5 Cb -0.09 -3.25 0.13 0.00 -0.52 0.00 0.00 37.83 34.10 1crr s LYS 5 CO -0.00 -0.18 1.62 1.28 -0.92 0.00 0.00 175.35 177.14 1crr n LEU 6 N 4.87 5.33 -4.55 3.17 4.77 -0.89 -1.73 117.00 127.97 1crr n LEU 6 Ca -0.17 -4.28 -0.37 0.00 -0.03 0.00 0.00 56.01 51.17 1crr n LEU 6 Cb 0.51 -1.65 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1crr n LEU 6 CO 0.30 0.61 1.96 -0.69 -1.33 0.00 0.00 177.39 178.24 1crr s VAL 7 N 2.44 3.05 0.02 4.08 1.01 0.29 -2.52 120.40 128.78 1crr s VAL 7 Ca 0.47 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1crr s VAL 7 Cb 0.01 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1crr s VAL 7 CO 0.02 -0.13 0.54 -0.69 0.00 0.00 0.00 175.10 174.85 1crr s VAL 8 N 11.66 4.89 -0.08 2.92 1.01 -0.89 -1.72 120.40 138.19 1crr s VAL 8 Ca 0.94 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 64.03 1crr s VAL 8 Cb -0.17 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1crr s VAL 8 CO 0.26 0.49 0.17 0.68 0.00 0.00 0.00 175.10 176.69 1crr s VAL 9 N -0.61 -0.12 0.29 2.92 -7.23 -1.14 -4.53 120.40 109.98 1crr s VAL 9 Ca 0.29 0.23 -0.13 0.00 -1.81 0.00 0.00 61.98 60.55 1crr s VAL 9 Cb -0.18 -0.28 0.05 0.00 0.56 0.00 0.00 36.38 36.53 1crr s VAL 9 CO 0.17 0.09 0.68 0.61 -0.31 0.00 0.00 175.10 176.34 1crr n GLY 10 N 4.54 1.08 0.04 2.32 0.00 -1.26 -0.32 105.19 111.60 1crr n GLY 10 Ca -0.20 -1.19 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 1crr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crr n ALA 11 N -1.05 -0.06 -3.26 4.61 0.00 -1.25 -4.89 120.51 114.60 1crr n ALA 11 Ca -0.13 -0.02 -0.45 0.00 0.00 0.00 0.00 53.44 52.84 1crr n ALA 11 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1crr n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1crr s GLY 12 N -2.15 2.94 0.00 0.00 0.00 -1.26 -4.13 107.32 102.72 1crr s GLY 12 Ca 0.01 -3.62 0.00 0.00 0.00 0.00 0.00 44.72 41.10 1crr s GLY 12 CO 0.01 1.46 0.00 0.61 0.00 0.00 0.00 173.10 175.17 1crr n GLY 13 N 3.29 0.96 0.24 0.20 0.00 -1.26 -5.01 105.19 103.61 1crr n GLY 13 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 1.14 0.00 1.61 -1.51 -1.93 -3.46 116.25 112.10 1crr h VAL 14 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1crr h VAL 14 Cb 0.00 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1crr h VAL 14 CO 0.00 0.19 0.00 0.61 -1.23 0.00 0.00 177.57 177.14 1crr n GLY 15 N -1.02 1.85 0.19 5.19 0.00 -1.26 -4.38 105.19 105.76 1crr n GLY 15 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.25 0.32 1.61 2.10 -1.94 -2.63 116.57 116.28 1crr h LYS 16 Ca 0.00 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.50 1crr h LYS 16 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1crr h LYS 16 CO 0.00 0.67 -0.15 0.77 -2.00 0.00 0.00 179.45 178.74 1crr h SER 17 N 0.20 -0.36 -0.95 7.07 0.02 -1.95 -2.54 113.55 115.04 1crr h SER 17 Ca 0.01 -0.08 0.28 0.00 -0.84 0.00 0.00 61.79 61.15 1crr h SER 17 Cb 0.91 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 1crr h SER 17 CO 0.07 0.11 0.74 0.00 -1.14 0.00 0.00 176.83 176.61 1crr h ALA 18 N -0.91 2.85 -0.09 3.77 0.00 -1.90 0.34 119.26 123.32 1crr h ALA 18 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1crr h ALA 18 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1crr h ALA 18 CO 0.07 -1.23 -0.20 -0.07 0.00 0.00 0.00 179.25 177.82 1crr h LEU 19 N 0.00 0.33 0.56 0.00 3.38 -1.42 -2.20 115.31 115.95 1crr h LEU 19 Ca 0.45 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1crr h LEU 19 Cb 1.94 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.60 1crr h LEU 19 CO -0.00 0.85 -0.27 0.74 0.09 0.00 0.00 178.44 179.84 1crr h THR 20 N -0.17 0.00 -0.92 0.22 2.02 0.07 -2.55 112.91 111.58 1crr h THR 20 Ca -0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 1crr h THR 20 Cb 0.80 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1crr h THR 20 CO 0.04 0.00 0.67 0.40 0.37 0.00 0.00 175.52 177.01 1crr h ILE 21 N -0.75 0.52 0.75 3.11 5.03 -1.42 -1.42 117.51 123.32 1crr h ILE 21 Ca -0.08 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1crr h ILE 21 Cb 0.57 0.53 0.01 0.00 -3.03 0.00 0.00 36.82 34.90 1crr h ILE 21 CO 0.13 0.00 -0.36 -0.61 -0.68 0.00 0.00 178.15 176.63 1crr h GLN 22 N 0.00 -0.97 -0.00 2.37 4.15 -0.99 0.38 115.11 120.05 1crr h GLN 22 Ca 0.44 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.92 1crr h GLN 22 Cb 1.77 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 29.68 1crr h GLN 22 CO -0.00 -0.63 0.05 1.25 -1.93 0.00 0.00 178.83 177.56 1crr h LEU 23 N -1.04 0.00 0.00 -2.39 5.85 -0.99 0.25 115.31 116.99 1crr h LEU 23 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1crr h LEU 23 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1crr h LEU 23 CO 0.17 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.89 1crr n ILE 24 N -3.08 0.00 0.31 4.05 5.41 -0.68 -4.64 119.36 120.73 1crr n ILE 24 Ca -0.03 0.00 0.19 0.00 1.00 0.00 0.00 62.75 63.91 1crr n ILE 24 Cb 0.12 -0.70 1.03 0.00 -0.71 0.00 0.00 39.64 39.39 1crr n ILE 24 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1crr h GLN 25 N 0.00 0.00 -4.76 0.38 1.08 -0.43 -3.47 115.11 107.92 1crr h GLN 25 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1crr h GLN 25 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1crr h GLN 25 CO 0.00 0.00 -0.29 0.09 -0.95 0.00 0.00 178.83 177.68 1crr n ASN 26 N -3.49 -6.53 -3.60 1.46 3.02 0.08 -5.01 115.26 101.18 1crr n ASN 26 Ca -0.03 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1crr n ASN 26 Cb 0.11 -4.35 -0.01 0.00 -0.61 0.00 0.00 39.78 34.92 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1crr s HIS 27 N -2.41 -0.04 -0.26 3.10 -3.43 -1.26 -5.04 115.29 105.95 1crr s HIS 27 Ca 0.15 -0.00 -0.12 0.00 -0.80 0.00 0.00 55.06 54.28 1crr s HIS 27 Cb -0.04 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.58 1crr s HIS 27 CO 0.58 -0.11 0.24 0.12 -2.00 0.00 0.00 174.74 173.58 1crr s PHE 28 N -2.19 3.26 -0.15 0.38 5.36 -1.26 -4.46 117.98 118.92 1crr s PHE 28 Ca 0.13 0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.33 1crr s PHE 28 Cb 0.03 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1crr s PHE 28 CO -0.05 -0.11 -0.05 0.14 -1.46 0.00 0.00 175.22 173.69 1crr s VAL 29 N 1.64 3.77 -0.31 3.12 -7.23 -1.26 -4.98 120.40 115.15 1crr s VAL 29 Ca 0.10 -0.40 0.15 0.00 -1.81 0.00 0.00 61.98 60.02 1crr s VAL 29 Cb -0.15 -2.64 0.68 0.00 0.56 0.00 0.00 36.38 34.83 1crr s VAL 29 CO 0.09 0.50 1.59 -0.90 -0.31 0.00 0.00 175.10 176.07 1crr n ASP 30 N 3.49 4.81 0.00 4.85 5.75 -1.26 -4.75 116.55 129.44 1crr n ASP 30 Ca -0.17 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.70 1crr n ASP 30 Cb 0.53 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1crr n GLU 31 N 0.18 0.00 -1.21 0.11 0.28 -1.26 -5.03 120.64 113.70 1crr n GLU 31 Ca 0.24 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.94 1crr n GLU 31 Cb 1.03 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.97 1crr n GLU 31 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1crr n TYR 32 N 0.00 2.81 -3.05 -1.84 9.36 -1.26 -4.93 117.16 118.24 1crr n TYR 32 Ca 0.00 -2.73 -0.08 0.00 3.32 0.00 0.00 57.90 58.41 1crr n TYR 32 Cb 0.00 -1.32 0.01 0.00 -0.63 0.00 0.00 39.34 37.40 1crr n TYR 32 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1crr n ASP 33 N -0.61 -7.06 0.19 2.98 9.92 -1.26 -4.79 116.55 115.92 1crr n ASP 33 Ca 0.55 0.66 0.13 0.00 -0.53 0.00 0.00 54.79 55.60 1crr n ASP 33 Cb 0.67 -3.33 0.68 0.00 -0.64 0.00 0.00 41.12 38.50 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 2.95 0.00 -1.63 -0.24 0.14 -1.98 -2.95 132.00 128.28 1crr h PRO 34 Ca -0.10 0.00 -0.46 0.00 0.14 0.00 0.00 66.00 65.59 1crr h PRO 34 Cb 0.75 0.00 -0.18 0.00 0.14 0.00 0.00 31.00 31.71 1crr h PRO 34 CO 0.10 0.00 0.51 0.25 0.14 0.00 0.00 178.00 179.00 1crr n THR 35 N -2.41 3.13 -3.82 1.56 -2.24 -1.26 -4.29 114.28 104.94 1crr n THR 35 Ca -0.01 -2.42 -0.12 0.00 -2.27 0.00 0.00 64.05 59.22 1crr n THR 35 Cb 0.07 -1.39 -0.12 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.79 0.01 -0.20 2.28 1.01 -1.12 -5.05 121.20 115.35 1crr s ILE 36 Ca 0.46 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 1crr s ILE 36 Cb 0.34 -0.25 0.06 0.00 0.01 0.00 0.00 42.46 42.61 1crr s ILE 36 CO -0.10 -0.03 0.51 -0.70 0.00 0.00 0.00 174.94 174.61 1crr s GLU 37 N -0.05 0.56 0.00 2.79 2.56 -1.26 -4.50 118.70 118.80 1crr s GLU 37 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 54.97 55.74 1crr s GLU 37 Cb -0.02 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.31 1crr s GLU 37 CO 0.00 -0.10 0.00 -3.47 -0.56 0.00 0.00 175.26 171.13 1crr n ASP 38 N 3.31 0.00 -3.57 -1.70 2.03 -1.26 -5.04 116.55 110.31 1crr n ASP 38 Ca -0.16 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.09 1crr n ASP 38 Cb 0.56 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.22 -0.17 1.67 1.04 -1.26 -4.87 113.70 111.89 1crr s SER 39 Ca 0.00 -0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.30 1crr s SER 39 Cb 0.00 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.46 1crr s SER 39 CO 0.00 -0.45 0.38 -0.31 0.98 0.00 0.00 173.24 173.84 1crr s TYR 40 N -2.77 -0.62 0.24 5.02 2.02 -1.03 -4.98 117.35 115.23 1crr s TYR 40 Ca 0.08 1.28 0.11 0.00 -0.37 0.00 0.00 57.07 58.18 1crr s TYR 40 Cb -0.00 0.23 -0.05 0.00 -0.40 0.00 0.00 41.96 41.74 1crr s TYR 40 CO -0.06 -0.37 -0.18 1.03 -1.57 0.00 0.00 175.55 174.40 1crr s ARG 41 N 1.82 1.75 -0.28 -0.62 0.52 -1.26 0.17 118.95 121.05 1crr s ARG 41 Ca -0.06 -1.60 -0.21 0.00 -0.52 0.00 0.00 55.73 53.33 1crr s ARG 41 Cb -0.10 -1.88 0.09 0.00 0.52 0.00 0.00 34.95 33.58 1crr s ARG 41 CO -0.12 0.37 0.82 0.21 0.02 0.00 0.00 175.30 176.59 1crr s LYS 42 N -3.21 0.66 -0.32 3.54 2.47 -1.23 -4.90 119.74 116.75 1crr s LYS 42 Ca 0.27 0.93 -0.07 0.00 -1.56 0.00 0.00 55.97 55.54 1crr s LYS 42 Cb -0.06 0.25 0.02 0.00 -1.46 0.00 0.00 37.83 36.58 1crr s LYS 42 CO 0.14 -0.10 0.10 -1.14 0.16 0.00 0.00 175.35 174.50 1crr s GLN 43 N 0.84 2.89 0.24 4.03 -0.44 -1.26 -2.42 119.66 123.54 1crr s GLN 43 Ca -0.03 -1.00 0.02 0.00 -2.50 0.00 0.00 55.36 51.85 1crr s GLN 43 Cb -0.05 -3.42 -0.01 0.00 -1.64 0.00 0.00 33.01 27.89 1crr s GLN 43 CO -0.09 -0.55 0.08 1.33 0.50 0.00 0.00 175.29 176.56 1crr n VAL 44 N 4.85 0.00 -4.97 1.34 0.24 -1.26 -5.05 118.33 113.49 1crr n VAL 44 Ca -0.14 -1.38 -0.32 0.00 -2.04 0.00 0.00 64.34 60.46 1crr n VAL 44 Cb 0.46 0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 33.14 1crr n VAL 44 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1crr s VAL 45 N -2.39 1.99 -0.03 3.34 1.01 -1.26 -3.07 120.40 119.99 1crr s VAL 45 Ca 0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1crr s VAL 45 Cb 0.01 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1crr s VAL 45 CO 0.08 0.54 0.22 0.40 0.00 0.00 0.00 175.10 176.34 1crr h ILE 46 N 5.77 0.00 -0.05 2.22 1.08 -1.93 -3.44 117.51 121.16 1crr h ILE 46 Ca -0.25 -0.32 -0.17 0.00 -0.39 0.00 0.00 64.86 63.74 1crr h ILE 46 Cb 1.22 0.00 -0.27 0.00 -3.07 0.00 0.00 36.82 34.69 1crr h ILE 46 CO 0.50 0.00 -0.70 0.47 -0.69 0.00 0.00 178.15 177.72 1crr n ASP 47 N -3.15 0.11 0.00 1.72 9.92 -1.26 -4.94 116.55 118.95 1crr n ASP 47 Ca -0.01 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.23 1crr n ASP 47 Cb 0.04 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.01 1.70 0.02 0.44 0.00 -1.26 -5.01 105.19 101.08 1crr n GLY 48 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.85 2.08 -2.51 1.61 2.13 -1.26 -5.11 120.64 116.73 1crr n GLU 49 Ca 0.00 0.01 -0.05 0.00 0.66 0.00 0.00 57.16 57.78 1crr n GLU 49 Cb 0.00 -1.08 -0.04 0.00 0.27 0.00 0.00 31.44 30.59 1crr n GLU 49 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1crr n THR 50 N -2.33-12.47 -4.24 6.31 -1.04 -1.26 -4.71 114.28 94.53 1crr n THR 50 Ca -0.06 2.69 -0.17 0.00 -2.04 0.00 0.00 64.05 64.47 1crr n THR 50 Cb 0.59 -6.37 -0.14 0.00 -1.82 0.00 0.00 70.33 62.59 1crr n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1crr s LEU 52 N -0.21 4.24 -0.47 0.00 0.20 -1.06 -4.03 118.68 117.35 1crr s LEU 52 Ca 0.02 2.23 0.03 0.00 0.69 0.00 0.00 54.13 57.09 1crr s LEU 52 Cb -0.03 -4.01 0.14 0.00 -0.43 0.00 0.00 46.19 41.87 1crr s LEU 52 CO -0.00 -0.52 0.28 -0.76 -0.29 0.00 0.00 176.35 175.06 1crr s LEU 53 N -2.36 2.71 -0.80 -0.68 1.02 -1.02 -2.36 118.68 115.19 1crr s LEU 53 Ca 0.55 -2.83 -0.25 0.00 0.02 0.00 0.00 54.13 51.62 1crr s LEU 53 Cb -0.28 -1.00 -0.07 0.00 0.02 0.00 0.00 46.19 44.86 1crr s LEU 53 CO 0.35 -0.23 2.12 -0.62 0.02 0.00 0.00 176.35 177.99 1crr s ASP 54 N 0.11 4.71 0.48 2.29 2.15 -0.24 -3.57 116.67 122.60 1crr s ASP 54 Ca 0.21 -0.20 -0.22 0.00 0.43 0.00 0.00 52.55 52.76 1crr s ASP 54 Cb -0.18 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.83 1crr s ASP 54 CO -0.05 -3.07 1.19 -0.63 -0.17 0.00 0.00 175.17 172.44 1crr s ILE 55 N 11.61 2.96 -0.22 4.11 1.09 0.13 -2.10 121.20 138.77 1crr s ILE 55 Ca 0.79 0.71 -0.02 0.00 -1.10 0.00 0.00 60.65 61.03 1crr s ILE 55 Cb -0.10 -3.35 0.07 0.00 -1.06 0.00 0.00 42.46 38.01 1crr s ILE 55 CO 0.06 -0.02 0.02 -0.22 -0.10 0.00 0.00 174.94 174.68 1crr s LEU 56 N -3.16 1.69 0.00 2.97 2.96 -1.05 -2.47 118.68 119.61 1crr s LEU 56 Ca 0.65 -1.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1crr s LEU 56 Cb -0.30 -0.78 0.15 0.00 0.50 0.00 0.00 46.19 45.76 1crr s LEU 56 CO 0.36 -0.30 0.92 -0.67 -1.32 0.00 0.00 176.35 175.33 1crr n ASP 57 N 4.92 0.33 -3.69 3.68 2.03 -1.26 -2.10 116.55 120.46 1crr n ASP 57 Ca -0.09 -1.49 -0.11 0.00 0.52 0.00 0.00 54.79 53.63 1crr n ASP 57 Cb 0.46 -0.68 -0.11 0.00 -0.72 0.00 0.00 41.12 40.07 1crr n ASP 57 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1crr s THR 58 N -2.89 -0.11 0.19 5.18 -4.23 -1.26 -4.83 115.64 107.68 1crr s THR 58 Ca 0.54 0.12 0.09 0.00 -1.18 0.00 0.00 61.69 61.25 1crr s THR 58 Cb -0.02 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1crr s THR 58 CO 0.37 0.05 -0.18 0.00 -0.54 0.00 0.00 174.62 174.32 1crr s ALA 59 N 1.56 2.12 0.33 3.99 0.00 -1.26 -5.00 121.76 123.50 1crr s ALA 59 Ca -0.08 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.32 1crr s ALA 59 Cb -0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1crr s ALA 59 CO -0.12 0.20 0.06 0.20 0.00 0.00 0.00 175.76 176.09 1crr s GLY 60 N -2.96 2.10 0.00 0.00 0.00 -1.26 -4.93 107.32 100.28 1crr s GLY 60 Ca 0.20 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1crr s GLY 60 CO 0.08 -1.83 0.00 0.61 0.00 0.00 0.00 173.10 171.95 1crr n GLN 61 N -0.70 0.00 -0.30 2.90 10.64 -1.26 -4.73 117.38 123.92 1crr n GLN 61 Ca -0.02 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.19 1crr n GLN 61 Cb 0.67 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 30.10 1crr n GLN 61 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1crr n GLU 62 N -0.33 0.58 -3.90 2.61 -0.58 -1.26 -5.01 120.64 112.74 1crr n GLU 62 Ca 0.00 -1.65 -0.25 0.00 -0.42 0.00 0.00 57.16 54.84 1crr n GLU 62 Cb 0.00 -0.92 -0.01 0.00 -0.57 0.00 0.00 31.44 29.94 1crr n GLU 62 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1crr n GLU 63 N -0.60 -3.28 0.03 3.49 -0.58 -1.26 -4.85 120.64 113.59 1crr n GLU 63 Ca 0.07 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1crr n GLU 63 Cb 0.66 -4.55 0.00 0.00 -0.57 0.00 0.00 31.44 26.98 1crr n GLU 63 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1crr n TYR 64 N -4.37 -0.38 0.00 -0.32 4.19 -1.26 -5.05 117.16 109.97 1crr n TYR 64 Ca -0.29 0.07 0.00 0.00 3.31 0.00 0.00 57.90 60.99 1crr n TYR 64 Cb 0.68 0.28 0.00 0.00 0.49 0.00 0.00 39.34 40.78 1crr n TYR 64 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1crr n SER 65 N -2.95 0.00 0.00 2.98 7.64 -1.26 -4.86 113.62 115.18 1crr n SER 65 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1crr n SER 65 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 4.11 0.00 -0.05 -0.43 0.00 -1.26 -4.01 120.51 118.86 1crr n ALA 66 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1crr n ALA 66 Cb 0.00 0.00 0.37 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 0.65 -0.47 0.00 4.05 -2.01 -1.06 114.93 116.10 1crr h MET 67 Ca 0.00 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1crr h MET 67 Cb 0.00 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1crr h MET 67 CO 0.00 0.44 0.06 -0.09 0.23 0.00 0.00 176.91 177.55 1crr h ARG 68 N 0.67 0.74 -0.74 0.39 1.12 -1.94 -2.13 114.38 112.49 1crr h ARG 68 Ca 0.18 -0.16 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 1crr h ARG 68 Cb -0.06 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.76 1crr h ARG 68 CO -0.04 0.71 0.29 0.22 -3.11 0.00 0.00 179.97 178.04 1crr h ASP 69 N 0.71 1.01 -0.00 -3.80 3.58 -1.51 -1.43 116.42 114.98 1crr h ASP 69 Ca 0.15 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1crr h ASP 69 Cb 0.34 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1crr h ASP 69 CO 0.01 0.90 -0.10 1.56 -2.88 0.00 0.00 179.24 178.72 1crr h GLN 70 N 1.07 0.24 -0.08 0.28 4.20 -1.09 -1.38 115.11 118.36 1crr h GLN 70 Ca 0.25 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 1crr h GLN 70 Cb 0.21 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1crr h GLN 70 CO -0.02 0.36 -0.48 1.88 -0.67 0.00 0.00 178.83 179.90 1crr h TYR 71 N 0.23 0.24 0.00 2.96 0.05 -0.84 -1.71 116.97 117.90 1crr h TYR 71 Ca 0.05 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1crr h TYR 71 Cb 0.34 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1crr h TYR 71 CO 0.01 0.64 0.00 0.52 -1.05 0.00 0.00 178.16 178.28 1crr h MET 72 N 0.16 0.00 0.00 4.88 2.86 -0.53 -1.19 114.93 121.10 1crr h MET 72 Ca 0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1crr h MET 72 Cb 0.92 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.53 1crr h MET 72 CO 0.07 0.00 -2.20 -2.13 1.06 0.00 0.00 176.91 173.71 1crr n ARG 73 N -2.98 0.68 -0.07 1.72 0.63 -0.77 -4.46 116.66 111.41 1crr n ARG 73 Ca -0.01 -0.06 -0.04 0.00 -0.92 0.00 0.00 57.85 56.81 1crr n ARG 73 Cb 0.15 -1.54 -0.02 0.00 0.45 0.00 0.00 32.46 31.51 1crr n ARG 73 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1crr h THR 74 N 0.00 0.02 -2.56 5.15 1.35 -0.84 -3.48 112.91 112.55 1crr h THR 74 Ca -0.34 -1.02 -0.33 0.00 -0.55 0.00 0.00 66.41 64.17 1crr h THR 74 Cb 1.79 0.04 0.19 0.00 -1.73 0.00 0.00 68.15 68.44 1crr h THR 74 CO 0.02 0.01 -0.27 0.61 -0.25 0.00 0.00 175.52 175.64 1crr n GLY 75 N 1.63 -3.08 0.00 5.82 0.00 -0.50 -5.00 105.19 104.07 1crr n GLY 75 Ca -0.07 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1crr n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1crr n GLU 76 N -3.99 0.00 -2.30 1.61 4.71 -1.21 -4.93 120.64 114.52 1crr n GLU 76 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 1crr n GLU 76 Cb 0.51 -0.45 -0.03 0.00 -1.01 0.00 0.00 31.44 30.46 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 -2.58 0.80 -0.74 0.62 0.00 -0.71 -4.36 107.32 100.35 1crr s GLY 77 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 44.72 43.99 1crr s GLY 77 CO 0.00 2.93 0.79 -1.36 0.00 0.00 0.00 173.10 175.46 1crr s PHE 78 N 6.52 3.31 -1.17 1.90 0.08 -1.15 0.11 117.98 127.57 1crr s PHE 78 Ca 0.57 -1.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.03 1crr s PHE 78 Cb -0.12 -3.98 0.14 0.00 -0.57 0.00 0.00 43.02 38.48 1crr s PHE 78 CO 0.25 -1.20 1.45 -1.17 -0.10 0.00 0.00 175.22 174.45 1crr s LEU 79 N 1.71 4.73 -0.87 -0.37 2.96 -0.70 -2.27 118.68 123.87 1crr s LEU 79 Ca 0.17 -2.65 -0.25 0.00 -0.22 0.00 0.00 54.13 51.18 1crr s LEU 79 Cb -0.16 -2.44 -0.10 0.00 0.50 0.00 0.00 46.19 43.99 1crr s LEU 79 CO -0.03 -0.92 2.16 0.00 -1.32 0.00 0.00 176.35 176.24 1crr s VAL 81 N 12.53 2.65 -0.22 0.00 1.01 0.57 -2.45 120.40 134.48 1crr s VAL 81 Ca 0.80 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 1crr s VAL 81 Cb -0.09 -3.38 0.10 0.00 0.00 0.00 0.00 36.38 33.01 1crr s VAL 81 CO 0.04 0.12 0.23 0.72 0.00 0.00 0.00 175.10 176.22 1crr s PHE 82 N -0.66 -0.27 0.51 5.22 -0.12 -0.65 -3.94 117.98 118.06 1crr s PHE 82 Ca 0.53 0.11 -0.23 0.00 -0.05 0.00 0.00 56.93 57.30 1crr s PHE 82 Cb -0.41 -0.40 -0.06 0.00 -0.63 0.00 0.00 43.02 41.51 1crr s PHE 82 CO 0.50 -0.66 1.30 0.00 -0.05 0.00 0.00 175.22 176.31 1crr s ALA 83 N 2.32 2.92 -0.14 1.99 0.00 -1.26 -2.10 121.76 125.49 1crr s ALA 83 Ca 0.07 1.22 0.17 0.00 0.00 0.00 0.00 51.96 53.42 1crr s ALA 83 Cb -0.16 -3.51 -0.25 0.00 0.00 0.00 0.00 23.12 19.20 1crr s ALA 83 CO -0.16 -1.12 0.42 0.44 0.00 0.00 0.00 175.76 175.34 1crr n ILE 84 N -0.75 0.00 -1.97 0.00 -6.64 -1.00 -4.37 119.36 104.64 1crr n ILE 84 Ca 0.09 -0.35 -0.37 0.00 -1.77 0.00 0.00 62.75 60.35 1crr n ILE 84 Cb 0.46 0.25 0.00 0.00 -1.44 0.00 0.00 39.64 38.91 1crr n ILE 84 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1crr n ASN 85 N -1.98 7.29 0.00 7.28 5.15 -1.26 -3.29 115.26 128.45 1crr n ASN 85 Ca -0.02 -3.54 0.00 0.00 -0.60 0.00 0.00 54.58 50.41 1crr n ASN 85 Cb 0.42 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1crr n ASN 85 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1crr n ASN 86 N 0.24 0.00 0.00 1.20 0.23 -1.26 -5.03 115.26 110.64 1crr n ASN 86 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 1crr n ASN 86 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1crr n ASN 86 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1crr n THR 87 N -1.20 0.00 0.30 5.53 -1.04 -1.26 -4.77 114.28 111.84 1crr n THR 87 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1crr n THR 87 Cb 0.00 0.00 0.76 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.00 -2.82 1.63 -1.96 -1.59 116.57 111.84 1crr h LYS 88 Ca 0.00 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 1crr h LYS 88 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1crr h LYS 88 CO 0.00 0.00 -0.82 0.77 -3.45 0.00 0.00 179.45 175.95 1crr h SER 89 N 0.00 0.00 0.01 4.20 0.02 -1.86 -1.64 113.55 114.27 1crr h SER 89 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1crr h SER 89 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1crr h SER 89 CO 0.00 0.82 -0.00 0.15 -1.14 0.00 0.00 176.83 176.65 1crr h PHE 90 N 0.00 -0.01 0.00 3.45 3.57 -1.50 -1.55 116.94 120.90 1crr h PHE 90 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1crr h PHE 90 Cb 1.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.19 1crr h PHE 90 CO 0.00 0.43 -0.09 0.93 -2.23 0.00 0.00 178.31 177.34 1crr h GLU 91 N -0.45 0.00 -0.08 1.11 5.08 -1.54 -2.04 114.58 116.66 1crr h GLU 91 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1crr h GLU 91 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1crr h GLU 91 CO 0.00 0.09 -0.79 -0.44 -1.00 0.00 0.00 179.01 176.87 1crr h ASP 92 N 0.00 0.63 0.82 1.42 5.19 -0.94 -3.02 116.42 120.51 1crr h ASP 92 Ca -0.00 -0.43 -0.04 0.00 -0.62 0.00 0.00 57.03 55.94 1crr h ASP 92 Cb 0.24 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1crr h ASP 92 CO 0.01 1.20 -0.18 0.40 -3.12 0.00 0.00 179.24 177.55 1crr h ILE 93 N 0.34 0.49 -0.56 0.35 1.08 -0.56 -1.94 117.51 116.71 1crr h ILE 93 Ca -0.05 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1crr h ILE 93 Cb 1.39 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.77 1crr h ILE 93 CO 0.14 0.18 0.33 -0.74 -0.69 0.00 0.00 178.15 177.37 1crr h HIS 94 N 0.00 0.75 0.01 1.37 2.76 -1.36 -2.70 115.15 115.98 1crr h HIS 94 Ca -0.00 -0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 57.88 1crr h HIS 94 Cb 0.64 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 1crr h HIS 94 CO 0.00 0.53 -1.59 1.96 -1.30 0.00 0.00 177.93 177.53 1crr h GLN 95 N 0.76 0.03 0.00 5.26 4.20 -1.62 -3.30 115.11 120.42 1crr h GLN 95 Ca 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1crr h GLN 95 Cb 0.01 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1crr h GLN 95 CO -0.04 0.64 0.00 1.88 -0.67 0.00 0.00 178.83 180.65 1crr h TYR 96 N 0.01 0.00 -0.72 2.96 0.05 -1.28 -0.95 116.97 117.04 1crr h TYR 96 Ca -0.24 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.11 1crr h TYR 96 Cb 1.97 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 39.50 1crr h TYR 96 CO 0.01 0.00 0.54 -2.13 -1.05 0.00 0.00 178.16 175.53 1crr n ARG 97 N -3.00 2.04 0.01 4.88 0.63 -1.03 -3.65 116.66 116.54 1crr n ARG 97 Ca -0.03 -2.26 0.00 0.00 -0.92 0.00 0.00 57.85 54.65 1crr n ARG 97 Cb 0.09 -1.88 0.00 0.00 0.45 0.00 0.00 32.46 31.11 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 -0.50 0.00 0.24 -0.14 -0.58 -0.37 -4.68 120.64 114.61 1crr n GLU 98 Ca 0.44 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 57.25 1crr n GLU 98 Cb 1.04 -0.10 0.56 0.00 -0.57 0.00 0.00 31.44 32.37 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1crr h GLN 99 N 0.00 0.00 -0.45 3.49 4.15 -1.70 0.18 115.11 120.78 1crr h GLN 99 Ca 0.00 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1crr h GLN 99 Cb 0.18 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1crr h GLN 99 CO 0.00 0.11 -0.16 0.82 -1.93 0.00 0.00 178.83 177.67 1crr h ILE 100 N 0.00 1.27 0.00 2.39 2.04 -1.85 -0.53 117.51 120.83 1crr h ILE 100 Ca -0.00 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1crr h ILE 100 Cb 0.19 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1crr h ILE 100 CO 0.01 0.44 -0.20 0.11 0.00 0.00 0.00 178.15 178.51 1crr h LYS 101 N 0.77 0.00 0.69 2.37 1.57 -1.25 -2.34 116.57 118.38 1crr h LYS 101 Ca 0.12 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1crr h LYS 101 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 1crr h LYS 101 CO 0.05 0.20 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.71 1crr h ARG 102 N 0.00 -0.89 0.06 3.15 2.43 0.19 0.37 114.38 119.70 1crr h ARG 102 Ca -0.00 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1crr h ARG 102 Cb 0.44 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1crr h ARG 102 CO 0.03 -0.59 -0.07 0.28 -1.51 0.00 0.00 179.97 178.11 1crr h VAL 103 N -1.25 0.00 0.00 0.20 2.07 -1.23 -1.81 116.25 114.23 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 0.71 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1crr h VAL 103 CO 0.15 0.00 0.00 0.50 0.02 0.00 0.00 177.57 178.24 1crr h LYS 104 N -0.13 0.00 -5.93 1.57 1.63 -1.57 -3.46 116.57 108.68 1crr h LYS 104 Ca -0.01 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.39 1crr h LYS 104 Cb 0.11 0.00 0.10 0.00 -0.60 0.00 0.00 32.23 31.84 1crr h LYS 104 CO -0.01 0.00 -0.76 -0.25 -3.45 0.00 0.00 179.45 174.98 1crr n ASP 105 N -3.04 -3.47 -0.95 4.20 8.00 0.13 -4.94 116.55 116.46 1crr n ASP 105 Ca -0.02 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1crr n ASP 105 Cb 0.11 -4.61 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1crr n ASP 105 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1crr n SER 106 N -3.03 0.00 -2.94 -2.24 3.41 -0.96 -5.01 113.62 102.85 1crr n SER 106 Ca -0.15 -0.95 -0.13 0.00 -0.26 0.00 0.00 58.87 57.37 1crr n SER 106 Cb 0.62 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.59 1crr n SER 106 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1crr n ASP 107 N -0.82 -0.08 -2.71 4.04 5.75 -1.26 -4.49 116.55 116.98 1crr n ASP 107 Ca 0.00 -3.08 -0.08 0.00 -0.01 0.00 0.00 54.79 51.62 1crr n ASP 107 Cb 0.00 0.16 0.11 0.00 -1.03 0.00 0.00 41.12 40.36 1crr n ASP 107 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1crr n ASP 108 N 0.17 -1.77 -4.94 -1.12 5.75 -1.26 -5.13 116.55 108.24 1crr n ASP 108 Ca 0.15 -2.74 -0.25 0.00 -0.01 0.00 0.00 54.79 51.94 1crr n ASP 108 Cb 0.71 1.10 -0.03 0.00 -1.03 0.00 0.00 41.12 41.87 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1crr s VAL 109 N -0.01 5.27 -1.05 2.12 1.01 -1.26 -4.98 120.40 121.50 1crr s VAL 109 Ca 0.23 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 1crr s VAL 109 Cb 0.38 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1crr s VAL 109 CO -0.07 -0.16 1.94 -2.16 0.00 0.00 0.00 175.10 174.65 1crr s PRO 110 N -3.43 2.53 0.15 2.72 0.05 -1.26 -4.91 135.00 130.84 1crr s PRO 110 Ca 0.34 -0.75 -0.04 0.00 0.05 0.00 0.00 61.00 60.60 1crr s PRO 110 Cb -0.10 -5.16 -0.05 0.00 0.05 0.00 0.00 34.50 29.23 1crr s PRO 110 CO 0.28 -3.69 0.38 1.41 0.05 0.00 0.00 177.00 175.44 1crr s MET 111 N 6.72 3.61 -0.18 4.56 1.75 -1.26 -2.96 119.30 131.54 1crr s MET 111 Ca 0.69 -0.11 -0.10 0.00 -1.25 0.00 0.00 55.69 54.92 1crr s MET 111 Cb -0.04 -2.84 0.06 0.00 2.84 0.00 0.00 34.83 34.86 1crr s MET 111 CO 0.06 0.45 0.44 0.08 -0.65 0.00 0.00 175.02 175.41 1crr s VAL 112 N -1.70 -0.06 -0.34 10.11 1.01 -0.96 -4.32 120.40 124.14 1crr s VAL 112 Ca 0.41 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 1crr s VAL 112 Cb -0.12 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1crr s VAL 112 CO 0.25 0.04 0.22 -0.22 0.00 0.00 0.00 175.10 175.39 1crr s LEU 113 N 1.51 4.49 0.17 3.92 2.96 -1.06 -1.57 118.68 129.09 1crr s LEU 113 Ca -0.09 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1crr s LEU 113 Cb -0.08 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1crr s LEU 113 CO -0.14 -0.25 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.94 1crr s VAL 114 N 1.69 3.66 -0.27 1.68 1.01 -1.03 -2.63 120.40 124.51 1crr s VAL 114 Ca 0.05 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1crr s VAL 114 Cb -0.18 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1crr s VAL 114 CO 0.09 -0.09 -0.08 -0.83 0.00 0.00 0.00 175.10 174.19 1crr s GLY 115 N -2.88 1.68 0.42 4.51 0.00 -0.61 -1.64 107.32 108.81 1crr s GLY 115 Ca 0.27 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 43.25 1crr s GLY 115 CO 0.18 0.63 0.59 0.21 0.00 0.00 0.00 173.10 174.71 1crr s ASN 116 N 1.13 5.75 -0.35 1.64 2.47 -0.89 0.10 114.94 124.80 1crr s ASN 116 Ca -0.08 -0.10 -0.00 0.00 0.42 0.00 0.00 52.86 53.10 1crr s ASN 116 Cb -0.20 -1.12 0.00 0.00 -1.45 0.00 0.00 41.25 38.48 1crr s ASN 116 CO -0.04 -0.69 0.29 1.17 -3.72 0.00 0.00 177.10 174.11 1crr n LYS 117 N -1.91 -1.93 -0.64 0.43 3.00 -0.39 -2.36 118.16 114.36 1crr n LYS 117 Ca 0.03 0.24 0.08 0.00 -0.00 0.00 0.00 58.31 58.67 1crr n LYS 117 Cb 0.58 -3.46 0.34 0.00 0.00 0.00 0.00 35.03 32.49 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1crr n ASP 119 N 0.51 3.72 -3.68 0.00 5.75 -1.26 -5.02 116.55 116.57 1crr n ASP 119 Ca 0.24 -3.30 -0.13 0.00 -0.01 0.00 0.00 54.79 51.59 1crr n ASP 119 Cb 0.96 -0.44 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 1crr n ASP 119 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1crr s LEU 120 N -3.51 -0.17 0.00 -2.12 0.05 -1.26 -5.04 118.68 106.62 1crr s LEU 120 Ca 0.42 1.13 0.00 0.00 0.05 0.00 0.00 54.13 55.73 1crr s LEU 120 Cb 0.40 1.91 0.00 0.00 -2.05 0.00 0.00 46.19 46.45 1crr s LEU 120 CO -0.06 -0.20 0.00 0.00 -0.55 0.00 0.00 176.35 175.54 1crr n ALA 121 N 2.91 0.00 -3.00 1.48 0.00 -1.26 -4.68 120.51 115.96 1crr n ALA 121 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1crr n ALA 121 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1crr n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1crr n ALA 122 N 5.02 0.00 -3.93 0.00 0.00 -1.26 -5.12 120.51 115.22 1crr n ALA 122 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1crr n ALA 122 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1crr n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1crr s ARG 123 N -1.24 1.91 0.20 0.00 3.52 -1.26 -4.71 118.95 117.36 1crr s ARG 123 Ca 0.00 -2.35 -0.04 0.00 -0.13 0.00 0.00 55.73 53.21 1crr s ARG 123 Cb 0.00 -3.36 0.14 0.00 -1.56 0.00 0.00 34.95 30.17 1crr s ARG 123 CO 0.00 -1.07 1.55 1.79 -0.81 0.00 0.00 175.30 176.77 1crr h THR 124 N 5.84 1.29 -3.40 4.11 1.35 -1.96 -3.40 112.91 116.75 1crr h THR 124 Ca -0.06 -1.58 -0.60 0.00 -0.55 0.00 0.00 66.41 63.61 1crr h THR 124 Cb 0.95 1.52 -0.11 0.00 -1.73 0.00 0.00 68.15 68.77 1crr h THR 124 CO 0.64 0.51 0.59 -0.69 -0.25 0.00 0.00 175.52 176.32 1crr s VAL 125 N -4.27 4.41 0.41 6.82 1.01 -1.21 -5.02 120.40 122.56 1crr s VAL 125 Ca -0.08 0.50 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 1crr s VAL 125 Cb 0.12 -4.50 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 1crr s VAL 125 CO 0.84 -1.00 1.24 -1.61 0.00 0.00 0.00 175.10 174.57 1crr s GLU 126 N 3.91 3.94 0.62 2.72 0.41 -1.26 -4.87 118.70 124.16 1crr s GLU 126 Ca 0.34 2.00 0.35 0.00 -0.41 0.00 0.00 54.97 57.25 1crr s GLU 126 Cb -0.11 -2.67 2.01 0.00 -1.78 0.00 0.00 34.13 31.57 1crr s GLU 126 CO 0.22 -0.47 2.27 0.77 -0.49 0.00 0.00 175.26 177.57 1crr h SER 127 N 2.55 0.00 -0.01 -0.19 0.02 -1.95 -1.08 113.55 112.89 1crr h SER 127 Ca -0.49 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.26 1crr h SER 127 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1crr h SER 127 CO 0.62 0.00 -0.70 -0.09 -1.14 0.00 0.00 176.83 175.52 1crr h ARG 128 N 0.00 0.65 0.19 3.45 9.65 -1.98 -0.88 114.38 125.46 1crr h ARG 128 Ca 0.01 -0.49 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1crr h ARG 128 Cb 0.09 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1crr h ARG 128 CO -0.00 1.11 -0.09 1.96 2.80 0.00 0.00 179.97 185.75 1crr h GLN 129 N 0.46 -0.24 0.00 0.20 1.08 -1.57 -1.44 115.11 113.59 1crr h GLN 129 Ca -0.03 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1crr h GLN 129 Cb 1.30 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1crr h GLN 129 CO 0.14 0.08 -0.07 0.00 -0.95 0.00 0.00 178.83 178.02 1crr h ALA 130 N 0.14 1.38 -0.03 3.87 0.00 -1.54 -1.12 119.26 121.96 1crr h ALA 130 Ca -0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1crr h ALA 130 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1crr h ALA 130 CO 0.04 0.09 -0.70 1.96 0.00 0.00 0.00 179.25 180.64 1crr h GLN 131 N 0.00 0.14 0.00 0.00 1.08 -0.75 -2.44 115.11 113.13 1crr h GLN 131 Ca -0.00 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 56.96 1crr h GLN 131 Cb 0.20 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1crr h GLN 131 CO 0.01 0.78 -0.59 -0.44 -0.95 0.00 0.00 178.83 177.64 1crr h ASP 132 N 0.09 0.00 0.19 1.46 3.32 -0.13 -1.53 116.42 119.82 1crr h ASP 132 Ca -0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.75 1crr h ASP 132 Cb 1.24 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.82 1crr h ASP 132 CO 0.10 0.59 -1.24 0.25 -1.72 0.00 0.00 179.24 177.21 1crr h LEU 133 N 0.00 0.76 0.00 1.55 7.12 -1.35 -3.25 115.31 120.14 1crr h LEU 133 Ca -0.01 -0.90 -0.08 0.00 0.13 0.00 0.00 57.88 57.02 1crr h LEU 133 Cb 1.32 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 1crr h LEU 133 CO 0.08 1.60 -0.52 0.00 -0.13 0.00 0.00 178.44 179.47 1crr h ALA 134 N 0.17 0.73 0.27 1.25 0.00 -1.51 -2.90 119.26 117.27 1crr h ALA 134 Ca -0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1crr h ALA 134 Cb 1.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1crr h ALA 134 CO 0.24 0.49 -0.13 0.00 0.00 0.00 0.00 179.25 179.85 1crr h ARG 135 N 0.00 -0.35 -0.42 0.00 3.08 -1.37 -1.78 114.38 113.54 1crr h ARG 135 Ca -0.02 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1crr h ARG 135 Cb 1.30 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1crr h ARG 135 CO 0.05 -0.24 0.28 0.77 -1.07 0.00 0.00 179.97 179.76 1crr h SER 136 N -0.45 0.44 -0.19 7.04 0.02 -1.72 -1.35 113.55 117.33 1crr h SER 136 Ca -0.04 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1crr h SER 136 Cb 0.28 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1crr h SER 136 CO 0.06 0.31 0.05 1.88 -1.14 0.00 0.00 176.83 177.99 1crr h TYR 137 N 0.51 0.39 0.00 3.45 -1.99 -1.49 -3.46 116.97 114.38 1crr h TYR 137 Ca 0.16 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1crr h TYR 137 Cb 0.02 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.63 1crr h TYR 137 CO -0.00 0.37 0.00 0.41 -0.00 0.00 0.00 178.16 178.94 1crr n GLY 138 N -1.13 1.01 3.27 3.88 0.00 -0.51 -5.07 105.19 106.63 1crr n GLY 138 Ca 0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 1.72 0.89 -0.61 -4.36 -0.80 -4.95 121.20 111.10 1crr s ILE 139 Ca 0.00 -1.34 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 1crr s ILE 139 Cb 0.00 -1.52 0.13 0.00 1.25 0.00 0.00 42.46 42.32 1crr s ILE 139 CO 0.00 0.12 1.11 -2.16 0.24 0.00 0.00 174.94 174.25 1crr s PRO 140 N -1.45 1.26 0.03 0.37 0.04 -1.26 -4.41 135.00 129.58 1crr s PRO 140 Ca 0.08 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.40 1crr s PRO 140 Cb -0.09 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1crr s PRO 140 CO 0.03 -2.35 -0.22 -0.47 0.04 0.00 0.00 177.00 174.02 1crr s TYR 141 N -2.77 1.96 0.35 0.56 5.04 -1.26 -2.58 117.35 118.64 1crr s TYR 141 Ca 0.64 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.86 1crr s TYR 141 Cb -0.20 -1.19 0.01 0.00 0.35 0.00 0.00 41.96 40.93 1crr s TYR 141 CO 0.58 0.07 0.49 0.42 -1.34 0.00 0.00 175.55 175.77 1crr s ILE 142 N -0.73 0.00 0.51 3.14 1.01 -1.08 -5.01 121.20 119.03 1crr s ILE 142 Ca 0.09 -1.57 0.01 0.00 0.00 0.00 0.00 60.65 59.17 1crr s ILE 142 Cb -0.09 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1crr s ILE 142 CO 0.01 0.00 0.01 -1.61 0.00 0.00 0.00 174.94 173.35 1crr s GLU 143 N -3.00 2.19 -0.14 2.79 2.02 -1.26 -1.57 118.70 119.74 1crr s GLU 143 Ca 0.30 -2.41 -0.31 0.00 0.02 0.00 0.00 54.97 52.58 1crr s GLU 143 Cb -0.01 -1.50 0.13 0.00 0.10 0.00 0.00 34.13 32.86 1crr s GLU 143 CO 0.20 -0.37 1.05 0.95 0.02 0.00 0.00 175.26 177.11 1crr s THR 144 N -2.89 0.00 -0.30 3.63 -4.23 0.29 -4.32 115.64 107.82 1crr s THR 144 Ca 0.05 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.41 1crr s THR 144 Cb 0.01 -1.00 0.18 0.00 1.34 0.00 0.00 72.50 73.03 1crr s THR 144 CO 0.03 0.00 1.13 -0.55 -0.54 0.00 0.00 174.62 174.69 1crr s SER 145 N -1.67 -0.29 0.45 3.99 0.15 0.19 -1.26 113.70 115.27 1crr s SER 145 Ca 0.03 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.07 1crr s SER 145 Cb -0.01 1.23 1.05 0.00 -1.71 0.00 0.00 66.02 66.58 1crr s SER 145 CO -0.03 -0.05 1.90 0.00 1.20 0.00 0.00 173.24 176.25 1crr h ALA 146 N 7.89 1.14 0.00 5.45 0.00 -1.91 -1.26 119.26 130.58 1crr h ALA 146 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1crr h ALA 146 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1crr h ALA 146 CO -0.16 0.29 0.00 -0.22 0.00 0.00 0.00 179.25 179.16 1crr h LYS 147 N 0.00 0.00 0.00 0.00 3.64 -1.96 -3.10 116.57 115.16 1crr h LYS 147 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1crr h LYS 147 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1crr h LYS 147 CO 0.03 0.00 -0.07 -2.37 -2.27 0.00 0.00 179.45 174.77 1crr n THR 148 N -2.35 0.00 -2.92 1.00 5.66 -1.08 -5.00 114.28 109.59 1crr n THR 148 Ca -0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1crr n THR 148 Cb 0.09 0.82 0.01 0.00 -1.55 0.00 0.00 70.33 69.70 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 -3.49 -3.63 1.09 1.74 -0.52 -4.94 116.66 106.92 1crr n ARG 149 Ca 0.00 0.73 -0.37 0.00 -0.77 0.00 0.00 57.85 57.44 1crr n ARG 149 Cb 0.53 -5.47 -0.10 0.00 -1.02 0.00 0.00 32.46 26.39 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 -5.57 4.03 0.00 5.56 2.00 -0.92 -4.28 119.66 120.49 1crr s GLN 150 Ca 0.23 -0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.32 1crr s GLN 150 Cb -0.11 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.12 1crr s GLN 150 CO 0.28 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.46 1crr n GLY 151 N 4.52 3.07 0.35 2.59 0.00 -1.26 -0.63 105.19 113.82 1crr n GLY 151 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 1.18 -0.09 1.61 2.07 -1.76 -1.39 116.25 117.87 1crr h VAL 152 Ca 0.00 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1crr h VAL 152 Cb 0.00 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1crr h VAL 152 CO 0.00 0.18 -0.16 -0.33 0.02 0.00 0.00 177.57 177.29 1crr h GLU 153 N 0.99 0.26 0.00 1.57 5.08 -1.89 -2.94 114.58 117.65 1crr h GLU 153 Ca 0.28 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1crr h GLU 153 Cb -0.09 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1crr h GLU 153 CO -0.06 0.74 -0.02 0.22 -1.00 0.00 0.00 179.01 178.89 1crr h ASP 154 N -0.20 0.00 0.03 1.42 3.58 -1.87 -2.15 116.42 117.22 1crr h ASP 154 Ca 0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1crr h ASP 154 Cb 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1crr h ASP 154 CO 0.04 0.02 -0.01 0.00 -2.88 0.00 0.00 179.24 176.40 1crr h ALA 155 N 1.98 -0.11 -0.53 -0.78 0.00 -1.19 -2.83 119.26 115.80 1crr h ALA 155 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1crr h ALA 155 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1crr h ALA 155 CO 0.00 -0.10 0.36 0.74 0.00 0.00 0.00 179.25 180.25 1crr h PHE 156 N -0.29 0.31 -0.05 0.00 0.04 -1.59 -2.21 116.94 113.15 1crr h PHE 156 Ca -0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1crr h PHE 156 Cb 0.03 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1crr h PHE 156 CO 0.02 0.15 -0.01 1.88 -0.60 0.00 0.00 178.31 179.74 1crr h TYR 157 N 0.29 0.12 0.00 -0.55 -1.99 -1.52 -2.79 116.97 110.53 1crr h TYR 157 Ca 0.25 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 1crr h TYR 157 Cb 0.59 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 1crr h TYR 157 CO -0.00 0.44 -0.03 1.15 -0.00 0.00 0.00 178.16 179.73 1crr h THR 158 N -0.24 0.35 -0.03 -2.88 2.02 -1.15 -1.68 112.91 109.30 1crr h THR 158 Ca 0.01 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.84 1crr h THR 158 Cb 0.41 1.10 0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1crr h THR 158 CO 0.01 0.03 -0.80 -0.07 0.37 0.00 0.00 175.52 175.05 1crr h LEU 159 N 0.00 0.75 -0.18 2.58 4.07 -1.21 -2.37 115.31 118.95 1crr h LEU 159 Ca -0.00 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.24 1crr h LEU 159 Cb 0.10 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1crr h LEU 159 CO 0.00 1.37 0.00 0.58 -1.08 0.00 0.00 178.44 179.32 1crr h VAL 160 N 0.20 0.00 0.07 1.22 2.07 -1.20 -2.03 116.25 116.59 1crr h VAL 160 Ca -0.09 -0.83 -0.28 0.00 0.82 0.00 0.00 66.70 66.31 1crr h VAL 160 Cb 1.47 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 1crr h VAL 160 CO 0.16 0.00 -1.45 -0.09 0.02 0.00 0.00 177.57 176.21 1crr h ARG 161 N 0.00 0.16 0.00 1.57 2.43 -1.33 -2.04 114.38 115.16 1crr h ARG 161 Ca 0.00 -0.27 -0.22 0.00 -0.81 0.00 0.00 59.98 58.69 1crr h ARG 161 Cb 0.88 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1crr h ARG 161 CO 0.00 0.99 -1.17 1.49 -1.51 0.00 0.00 179.97 179.76 1crr h GLU 162 N 0.04 0.00 0.21 0.20 4.57 -1.44 -3.21 114.58 114.95 1crr h GLU 162 Ca -0.20 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.64 1crr h GLU 162 Cb 1.96 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.57 1crr h GLU 162 CO 0.14 0.74 -1.58 0.82 -1.18 0.00 0.00 179.01 177.95 1crr h ILE 163 N 0.00 1.15 0.00 2.32 2.04 -1.48 -3.24 117.51 118.30 1crr h ILE 163 Ca -0.10 -2.66 -0.01 0.00 1.00 0.00 0.00 64.86 63.09 1crr h ILE 163 Cb 1.78 2.90 -0.00 0.00 -0.74 0.00 0.00 36.82 40.76 1crr h ILE 163 CO 0.10 0.84 -0.05 -0.09 0.00 0.00 0.00 178.15 178.94 1crr h ARG 164 N 0.12 0.00 0.00 2.37 2.43 -1.49 -3.24 114.38 114.57 1crr h ARG 164 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1crr h ARG 164 Cb 2.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1crr h ARG 164 CO 0.22 0.05 0.00 0.94 -1.51 0.00 0.00 179.97 179.68 1crr n GLN 165 N -3.38 0.00 0.00 0.20 7.27 -1.21 -5.08 117.38 115.18 1crr n GLN 165 Ca -0.02 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.46 1crr n GLN 165 Cb 0.20 -0.99 0.00 0.00 2.41 0.00 0.00 30.24 31.85 1crr n GLN 165 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71