#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 -3.92 114.28 105.62 1crr n THR 2 Ca 0.00 0.47 -0.22 0.00 -2.04 0.00 0.00 64.05 62.26 1crr n THR 2 Cb 0.00 -0.96 -0.15 0.00 -1.82 0.00 0.00 70.33 67.40 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 -3.24 0.11 0.04 -2.82 2.02 -1.26 -2.39 118.70 111.16 1crr s GLU 3 Ca 0.00 0.08 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 1crr s GLU 3 Cb 0.00 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1crr s GLU 3 CO 0.00 -0.64 0.22 0.71 0.02 0.00 0.00 175.26 175.57 1crr s TYR 4 N 2.23 3.53 -0.26 1.61 2.02 -1.07 -4.95 117.35 120.46 1crr s TYR 4 Ca 0.04 0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 57.02 1crr s TYR 4 Cb -0.16 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1crr s TYR 4 CO -0.10 0.60 0.07 0.15 -1.57 0.00 0.00 175.55 174.70 1crr s LYS 5 N -2.24 3.47 -1.24 -0.62 1.02 -1.26 -1.80 119.74 117.08 1crr s LYS 5 Ca 0.32 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.59 1crr s LYS 5 Cb -0.13 -3.33 0.17 0.00 -0.52 0.00 0.00 37.83 34.03 1crr s LYS 5 CO 0.23 -0.27 1.61 1.28 -0.92 0.00 0.00 175.35 177.28 1crr n LEU 6 N 4.90 5.78 -4.54 3.17 4.77 -0.83 -1.81 117.00 128.44 1crr n LEU 6 Ca -0.16 -4.54 -0.21 0.00 -0.03 0.00 0.00 56.01 51.07 1crr n LEU 6 Cb 0.50 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 39.94 1crr n LEU 6 CO 0.31 0.99 1.58 0.52 -1.33 0.00 0.00 177.39 179.46 1crr n VAL 7 N 4.08 -0.02 -3.21 4.08 0.31 0.32 -2.88 118.33 121.01 1crr n VAL 7 Ca 0.38 -0.53 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 1crr n VAL 7 Cb 0.40 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.51 1crr n VAL 7 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1crr s VAL 8 N 11.63 4.70 0.19 2.52 1.01 -1.00 -1.66 120.40 137.80 1crr s VAL 8 Ca 1.03 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.89 1crr s VAL 8 Cb -0.32 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1crr s VAL 8 CO 0.22 0.12 0.42 -0.69 0.00 0.00 0.00 175.10 175.17 1crr s VAL 9 N -1.62 0.04 -5.00 2.92 1.01 -1.14 -4.74 120.40 111.87 1crr s VAL 9 Ca 0.44 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1crr s VAL 9 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1crr s VAL 9 CO 0.20 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1crr n GLY 10 N -0.29 -0.05 3.95 4.51 0.00 -1.26 -1.75 105.19 110.30 1crr n GLY 10 Ca -0.08 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 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 3.51 -1.13 4.61 0.00 -1.26 -4.98 121.76 121.51 1crr s ALA 11 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1crr s ALA 11 Cb 0.00 -2.32 0.15 0.00 0.00 0.00 0.00 23.12 20.95 1crr s ALA 11 CO 0.00 -1.10 2.34 0.41 0.00 0.00 0.00 175.76 177.40 1crr n GLY 12 N -2.68 5.26 0.00 0.00 0.00 -1.26 -4.04 105.19 102.46 1crr n GLY 12 Ca 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 1.23 0.00 0.08 -0.02 0.00 -1.26 -5.04 105.19 100.18 1crr n GLY 13 Ca 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.52 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 1.03 0.00 1.61 0.24 -1.26 -4.95 118.33 115.00 1crr n VAL 14 Ca 0.00 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1crr n VAL 14 Cb 0.00 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 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 2.10 1.85 0.17 7.63 0.00 -1.26 -4.47 105.19 111.21 1crr n GLY 15 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 0.02 0.54 0.05 1.61 2.10 -1.94 -2.73 116.57 116.22 1crr h LYS 16 Ca 0.00 -0.45 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1crr h LYS 16 Cb 0.00 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1crr h LYS 16 CO 0.00 1.08 -0.03 0.77 -2.00 0.00 0.00 179.45 179.27 1crr h SER 17 N 0.15 -0.06 -0.81 7.07 0.02 -1.95 -2.00 113.55 115.97 1crr h SER 17 Ca -0.04 -0.19 0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1crr h SER 17 Cb 1.19 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1crr h SER 17 CO 0.11 0.16 0.53 0.00 -1.14 0.00 0.00 176.83 176.49 1crr h ALA 18 N 0.66 2.03 -0.40 3.77 0.00 -1.90 0.13 119.26 123.54 1crr h ALA 18 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1crr h ALA 18 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1crr h ALA 18 CO 0.01 -0.24 -0.25 -0.07 0.00 0.00 0.00 179.25 178.70 1crr h LEU 19 N 0.51 0.85 0.89 0.00 3.38 -1.15 -1.44 115.31 118.36 1crr h LEU 19 Ca 0.40 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1crr h LEU 19 Cb 0.82 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1crr h LEU 19 CO -0.15 1.06 -0.43 0.74 0.09 0.00 0.00 178.44 179.75 1crr h THR 20 N 0.71 0.12 -0.18 0.22 2.02 -0.03 -1.95 112.91 113.83 1crr h THR 20 Ca 0.09 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.31 1crr h THR 20 Cb 0.79 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1crr h THR 20 CO 0.07 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.52 1crr h ILE 21 N -1.21 0.65 -0.82 3.11 5.03 -1.40 -1.08 117.51 121.79 1crr h ILE 21 Ca -0.12 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.63 1crr h ILE 21 Cb 0.92 0.88 -0.04 0.00 -3.03 0.00 0.00 36.82 35.55 1crr h ILE 21 CO 0.20 0.00 0.54 -0.61 -0.68 0.00 0.00 178.15 177.61 1crr h GLN 22 N 0.00 1.08 0.00 2.37 -0.00 -0.47 -2.26 115.11 115.83 1crr h GLN 22 Ca 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1crr h GLN 22 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 27.64 1crr h GLN 22 CO -0.00 0.72 -0.40 -0.11 0.00 0.00 0.00 178.83 179.03 1crr n LEU 23 N -4.51 0.67 -0.01 -2.39 0.00 -0.44 -2.10 117.00 108.21 1crr n LEU 23 Ca 0.08 0.32 -0.00 0.00 0.00 0.00 0.00 56.01 56.41 1crr n LEU 23 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 43.42 43.19 1crr n LEU 23 CO 0.36 -0.07 -0.01 0.40 0.00 0.00 0.00 177.39 178.07 1crr h ILE 24 N 0.00 0.00 -0.01 1.96 1.08 -1.03 -3.39 117.51 116.12 1crr h ILE 24 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1crr h ILE 24 Cb 0.70 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1crr h ILE 24 CO 0.00 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.39 1crr n GLN 25 N -2.55 1.47 -3.05 2.37 6.02 -1.00 -4.98 117.38 115.65 1crr n GLN 25 Ca -0.00 -0.87 -0.02 0.00 -0.01 0.00 0.00 57.00 56.09 1crr n GLN 25 Cb 0.01 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 29.80 1crr n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1crr n ASN 26 N -0.01 -7.48 -3.64 1.08 5.03 -0.89 -5.03 115.26 104.32 1crr n ASN 26 Ca 0.17 -0.17 -0.01 0.00 0.87 0.00 0.00 54.58 55.44 1crr n ASN 26 Cb 0.36 -5.20 -0.00 0.00 -1.02 0.00 0.00 39.78 33.92 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1crr s HIS 27 N -3.06 -0.04 -0.08 3.10 -3.43 -1.20 -5.05 115.29 105.52 1crr s HIS 27 Ca 0.08 -0.18 -0.12 0.00 -0.80 0.00 0.00 55.06 54.03 1crr s HIS 27 Cb -0.01 0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 31.70 1crr s HIS 27 CO 0.73 -0.58 0.30 0.12 -2.00 0.00 0.00 174.74 173.32 1crr s PHE 28 N -2.63 3.62 -0.11 0.38 5.36 -1.26 -4.09 117.98 119.25 1crr s PHE 28 Ca 0.16 0.76 0.01 0.00 -0.96 0.00 0.00 56.93 56.90 1crr s PHE 28 Cb 0.01 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1crr s PHE 28 CO 0.00 0.56 -0.15 0.14 -1.46 0.00 0.00 175.22 174.31 1crr s VAL 29 N -0.64 2.88 -0.18 3.12 -7.23 -1.26 -5.01 120.40 112.08 1crr s VAL 29 Ca 0.19 -0.73 0.13 0.00 -1.81 0.00 0.00 61.98 59.76 1crr s VAL 29 Cb -0.14 -2.18 0.43 0.00 0.56 0.00 0.00 36.38 35.04 1crr s VAL 29 CO 0.08 0.54 1.21 -0.67 -0.31 0.00 0.00 175.10 175.95 1crr n ASP 30 N 3.33 1.95 -2.66 4.85 2.03 -1.26 -4.78 116.55 120.01 1crr n ASP 30 Ca -0.18 -3.51 -0.03 0.00 0.52 0.00 0.00 54.79 51.58 1crr n ASP 30 Cb 0.53 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 40.47 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1crr n GLU 31 N -0.78 0.16 -2.89 -0.67 0.28 -1.26 -5.13 120.64 110.34 1crr n GLU 31 Ca 0.19 -0.68 -0.41 0.00 -0.16 0.00 0.00 57.16 56.10 1crr n GLU 31 Cb 0.80 -0.03 -0.04 0.00 1.43 0.00 0.00 31.44 33.60 1crr n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1crr s TYR 32 N 0.03 3.47 -0.25 -1.84 5.04 -1.26 -4.97 117.35 117.57 1crr s TYR 32 Ca 0.06 1.31 -0.31 0.00 -2.44 0.00 0.00 57.07 55.70 1crr s TYR 32 Cb 0.10 -3.00 -0.07 0.00 0.35 0.00 0.00 41.96 39.34 1crr s TYR 32 CO -0.05 -0.16 2.19 -0.25 -1.34 0.00 0.00 175.55 175.94 1crr n ASP 33 N 4.86 2.93 0.28 4.32 8.00 -1.26 -4.81 116.55 130.87 1crr n ASP 33 Ca 0.04 0.32 0.16 0.00 0.71 0.00 0.00 54.79 56.01 1crr n ASP 33 Cb 0.49 -1.45 0.77 0.00 -0.02 0.00 0.00 41.12 40.91 1crr n ASP 33 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1crr h PRO 34 N 13.86 0.00 0.00 -0.24 0.13 -2.01 -2.52 132.00 141.23 1crr h PRO 34 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1crr h PRO 34 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1crr h PRO 34 CO 0.98 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 179.07 1crr n THR 35 N -3.32 0.32 -3.37 1.56 -2.24 -1.26 -3.61 114.28 102.36 1crr n THR 35 Ca -0.01 0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.46 1crr n THR 35 Cb 0.26 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.50 5.17 -0.07 2.28 1.01 -0.95 -4.86 121.20 121.27 1crr s ILE 36 Ca 0.21 0.64 -0.14 0.00 0.00 0.00 0.00 60.65 61.37 1crr s ILE 36 Cb 0.14 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.92 1crr s ILE 36 CO 0.31 0.18 0.34 -1.83 0.00 0.00 0.00 174.94 173.93 1crr s GLU 37 N 1.88 0.54 0.00 2.79 4.04 -1.26 -4.71 118.70 121.98 1crr s GLU 37 Ca 0.17 0.16 0.00 0.00 0.04 0.00 0.00 54.97 55.33 1crr s GLU 37 Cb -0.15 0.25 0.00 0.00 0.02 0.00 0.00 34.13 34.25 1crr s GLU 37 CO 0.09 -0.12 0.00 -0.40 -1.84 0.00 0.00 175.26 172.99 1crr n ASP 38 N 2.08 0.00 -3.15 0.83 5.68 -1.26 -4.98 116.55 115.75 1crr n ASP 38 Ca -0.17 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.16 1crr n ASP 38 Cb 0.57 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 1crr n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1crr s SER 39 N 2.00 -1.28 -0.37 -1.12 1.04 -1.26 -4.82 113.70 107.89 1crr s SER 39 Ca 0.00 0.62 -0.12 0.00 0.48 0.00 0.00 55.95 56.93 1crr s SER 39 Cb 0.00 2.00 0.01 0.00 0.10 0.00 0.00 66.02 68.14 1crr s SER 39 CO 0.00 -0.24 0.23 -0.31 0.98 0.00 0.00 173.24 173.90 1crr s TYR 40 N 2.87 3.23 0.54 5.02 2.02 -0.97 -4.99 117.35 125.08 1crr s TYR 40 Ca 0.16 -0.70 0.08 0.00 -0.37 0.00 0.00 57.07 56.24 1crr s TYR 40 Cb -0.13 -2.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.01 1crr s TYR 40 CO -0.21 -0.57 0.58 1.03 -1.57 0.00 0.00 175.55 174.82 1crr s ARG 41 N 1.62 2.32 -0.30 -0.62 3.00 -1.26 -1.63 118.95 122.09 1crr s ARG 41 Ca 0.04 -1.78 -0.17 0.00 0.00 0.00 0.00 55.73 53.82 1crr s ARG 41 Cb -0.19 -2.39 0.18 0.00 0.00 0.00 0.00 34.95 32.55 1crr s ARG 41 CO 0.08 -0.68 1.13 0.21 0.00 0.00 0.00 175.30 176.04 1crr s LYS 42 N -4.45 0.19 -0.58 3.54 2.47 -1.15 -4.92 119.74 114.85 1crr s LYS 42 Ca 0.49 0.38 -0.17 0.00 -1.56 0.00 0.00 55.97 55.10 1crr s LYS 42 Cb -0.04 0.13 0.12 0.00 -1.46 0.00 0.00 37.83 36.58 1crr s LYS 42 CO 0.30 -0.05 0.60 -1.14 0.16 0.00 0.00 175.35 175.22 1crr s GLN 43 N 1.66 3.04 0.41 4.03 0.74 -1.26 -2.17 119.66 126.11 1crr s GLN 43 Ca -0.05 -1.58 0.01 0.00 0.05 0.00 0.00 55.36 53.79 1crr s GLN 43 Cb -0.03 -4.30 -0.00 0.00 1.10 0.00 0.00 33.01 29.78 1crr s GLN 43 CO -0.14 -1.42 0.04 1.33 -0.55 0.00 0.00 175.29 174.55 1crr n VAL 44 N 5.32 0.00 -4.42 1.34 0.24 -1.25 -4.95 118.33 114.60 1crr n VAL 44 Ca -0.11 -2.06 -0.32 0.00 -2.04 0.00 0.00 64.34 59.82 1crr n VAL 44 Cb 0.41 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.67 3.61 -0.05 3.34 1.01 -1.26 -2.34 120.40 122.03 1crr s VAL 45 Ca 0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1crr s VAL 45 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1crr s VAL 45 CO 0.04 0.35 -0.07 -0.38 0.00 0.00 0.00 175.10 175.04 1crr n ILE 46 N 1.41 0.52 -2.69 2.22 2.08 -1.17 -4.90 119.36 116.84 1crr n ILE 46 Ca -0.15 0.39 -0.06 0.00 0.56 0.00 0.00 62.75 63.50 1crr n ILE 46 Cb 0.52 -1.83 0.11 0.00 -0.75 0.00 0.00 39.64 37.70 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 -3.13 -1.40 0.00 4.38 8.00 -1.26 -4.93 116.55 118.21 1crr n ASP 47 Ca -0.03 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.05 1crr n ASP 47 Cb 0.11 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 1crr n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1crr n GLY 48 N -0.75 1.96 3.20 0.44 0.00 -1.26 -5.10 105.19 103.68 1crr n GLY 48 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.32 0.25 0.81 1.61 2.12 -1.26 -5.16 118.70 116.75 1crr s GLU 49 Ca 0.00 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.71 1crr s GLU 49 Cb 0.00 0.27 0.08 0.00 0.26 0.00 0.00 34.13 34.75 1crr s GLU 49 CO 0.00 -0.23 1.12 0.99 -0.54 0.00 0.00 175.26 176.60 1crr s THR 50 N 2.82 2.86 -0.29 -1.70 2.01 -1.26 -3.02 115.64 117.06 1crr s THR 50 Ca 0.01 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.15 1crr s THR 50 Cb -0.10 -2.63 0.11 0.00 0.01 0.00 0.00 72.50 69.90 1crr s THR 50 CO -0.14 -0.35 0.79 0.00 -0.69 0.00 0.00 174.62 174.23 1crr s LEU 52 N 1.77 4.37 -0.51 0.00 0.20 -1.00 -3.95 118.68 119.55 1crr s LEU 52 Ca -0.09 2.85 0.04 0.00 0.69 0.00 0.00 54.13 57.62 1crr s LEU 52 Cb -0.06 -3.65 0.13 0.00 -0.43 0.00 0.00 46.19 42.18 1crr s LEU 52 CO -0.18 -0.72 0.25 -0.76 -0.29 0.00 0.00 176.35 174.65 1crr s LEU 53 N -1.62 4.35 -1.04 -0.68 1.43 -0.92 -2.60 118.68 117.60 1crr s LEU 53 Ca 0.53 -2.97 -0.23 0.00 -1.03 0.00 0.00 54.13 50.43 1crr s LEU 53 Cb -0.43 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1crr s LEU 53 CO 0.55 -0.24 1.70 -0.62 0.23 0.00 0.00 176.35 177.97 1crr s ASP 54 N -0.22 5.98 0.02 2.29 2.15 -0.74 -2.92 116.67 123.24 1crr s ASP 54 Ca 0.17 -1.39 -0.26 0.00 0.43 0.00 0.00 52.55 51.49 1crr s ASP 54 Cb -0.26 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.75 1crr s ASP 54 CO -0.00 -2.00 0.82 -0.63 -0.17 0.00 0.00 175.17 173.19 1crr s ILE 55 N 7.06 4.80 -0.64 4.11 1.01 -0.65 -1.97 121.20 134.92 1crr s ILE 55 Ca 0.57 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.97 1crr s ILE 55 Cb -0.01 -4.17 0.16 0.00 0.01 0.00 0.00 42.46 38.45 1crr s ILE 55 CO -0.02 0.29 0.44 -0.22 0.00 0.00 0.00 174.94 175.43 1crr s LEU 56 N 0.36 4.87 0.19 2.97 2.96 -1.14 -2.29 118.68 126.61 1crr s LEU 56 Ca 0.42 -3.25 0.09 0.00 -0.22 0.00 0.00 54.13 51.17 1crr s LEU 56 Cb -0.20 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 44.80 1crr s LEU 56 CO 0.24 -0.23 1.44 -0.78 -1.32 0.00 0.00 176.35 175.69 1crr h ASP 57 N 6.35 0.00 -1.53 3.68 1.82 -1.85 -2.64 116.42 122.25 1crr h ASP 57 Ca 0.02 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.83 1crr h ASP 57 Cb 0.87 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.84 1crr h ASP 57 CO 0.72 0.82 -0.22 0.35 -1.61 0.00 0.00 179.24 179.30 1crr n THR 58 N -3.56 0.00 -3.86 2.25 -2.24 -1.26 -4.79 114.28 100.82 1crr n THR 58 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1crr n THR 58 Cb 0.79 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.10 0.00 0.00 6.98 0.00 -1.26 -4.83 120.51 120.29 1crr n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1crr n ALA 59 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 1.24 2.67 0.00 0.00 -1.24 -4.88 105.19 102.98 1crr n GLY 60 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.40 -1.10 1.61 1.13 -1.26 -4.70 117.38 111.66 1crr n GLN 61 Ca 0.00 0.65 -0.04 0.00 -1.94 0.00 0.00 57.00 55.67 1crr n GLN 61 Cb 0.00 -4.83 -0.05 0.00 0.11 0.00 0.00 30.24 25.47 1crr n GLN 61 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1crr n GLU 62 N -0.87 0.00 -3.92 -1.09 -0.58 -1.26 -5.06 120.64 107.85 1crr n GLU 62 Ca -0.06 -1.20 -0.09 0.00 -0.42 0.00 0.00 57.16 55.39 1crr n GLU 62 Cb 0.45 0.37 -0.07 0.00 -0.57 0.00 0.00 31.44 31.62 1crr n GLU 62 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1crr s GLU 63 N 0.00 1.10 -0.63 3.49 2.02 -1.26 -5.09 118.70 118.34 1crr s GLU 63 Ca 0.08 -1.11 -0.26 0.00 0.02 0.00 0.00 54.97 53.69 1crr s GLU 63 Cb 0.09 0.38 -0.02 0.00 0.10 0.00 0.00 34.13 34.67 1crr s GLU 63 CO -0.04 -0.40 1.83 -0.47 0.02 0.00 0.00 175.26 176.21 1crr s TYR 64 N -3.94 1.70 0.17 1.61 5.04 -1.26 -4.97 117.35 115.70 1crr s TYR 64 Ca 0.14 0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 55.39 1crr s TYR 64 Cb 0.03 -4.12 -0.07 0.00 0.35 0.00 0.00 41.96 38.16 1crr s TYR 64 CO -0.03 -2.29 0.53 -1.54 -1.34 0.00 0.00 175.55 170.88 1crr s SER 65 N 7.86 6.71 0.00 4.32 1.04 -1.26 -4.96 113.70 127.41 1crr s SER 65 Ca 0.65 0.97 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1crr s SER 65 Cb -0.12 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1crr s SER 65 CO 0.20 0.04 0.00 0.00 0.98 0.00 0.00 173.24 174.46 1crr n ALA 66 N 0.43 2.55 0.30 5.32 0.00 -1.26 -4.81 120.51 123.04 1crr n ALA 66 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.60 1crr n ALA 66 Cb 0.52 0.04 0.89 0.00 0.00 0.00 0.00 19.45 20.90 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 0.00 0.00 2.86 -2.00 -2.14 114.93 113.64 1crr h MET 67 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1crr h MET 67 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1crr h MET 67 CO 0.00 0.00 -0.37 -0.09 1.06 0.00 0.00 176.91 177.51 1crr h ARG 68 N 0.00 0.00 0.00 1.72 2.43 -1.99 -1.93 114.38 114.61 1crr h ARG 68 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1crr h ARG 68 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1crr h ARG 68 CO 0.00 0.37 -0.00 0.22 -1.51 0.00 0.00 179.97 179.05 1crr h ASP 69 N 0.00 -0.00 0.10 -3.80 1.82 -1.72 -2.84 116.42 109.98 1crr h ASP 69 Ca -0.00 -0.86 -0.02 0.00 -0.39 0.00 0.00 57.03 55.76 1crr h ASP 69 Cb 0.70 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 1crr h ASP 69 CO 0.05 0.86 -0.08 0.06 -1.61 0.00 0.00 179.24 178.52 1crr h GLN 70 N -0.86 0.00 -0.10 0.28 3.07 -1.57 -0.88 115.11 115.05 1crr h GLN 70 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 1crr h GLN 70 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 1crr h GLN 70 CO 0.00 0.08 -0.55 -0.92 0.09 0.00 0.00 178.83 177.53 1crr h TYR 71 N 0.00 0.38 0.00 0.06 5.03 -1.38 -2.04 116.97 119.02 1crr h TYR 71 Ca -0.00 -0.13 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 1crr h TYR 71 Cb 0.16 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.36 1crr h TYR 71 CO 0.00 0.78 -0.01 0.52 -1.32 0.00 0.00 178.16 178.14 1crr h MET 72 N 0.23 0.00 0.00 1.82 2.86 -0.90 -1.12 114.93 117.82 1crr h MET 72 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1crr h MET 72 Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1crr h MET 72 CO 0.09 0.01 -1.73 -2.13 1.06 0.00 0.00 176.91 174.21 1crr n ARG 73 N -3.40 0.64 -0.06 1.72 0.63 -0.85 -4.60 116.66 110.74 1crr n ARG 73 Ca -0.03 0.03 -0.03 0.00 -0.92 0.00 0.00 57.85 56.91 1crr n ARG 73 Cb 0.09 -1.66 -0.01 0.00 0.45 0.00 0.00 32.46 31.33 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 0.00 -1.64 5.15 1.35 -0.58 -3.48 112.91 113.71 1crr h THR 74 Ca -0.17 -0.92 -0.11 0.00 -0.55 0.00 0.00 66.41 64.66 1crr h THR 74 Cb 1.45 0.00 0.06 0.00 -1.73 0.00 0.00 68.15 67.93 1crr h THR 74 CO 0.02 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.87 1crr n GLY 75 N 1.69 -3.58 0.00 5.82 0.00 -0.61 -5.01 105.19 103.50 1crr n GLY 75 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.00 0.00 -2.36 1.61 4.71 -1.20 -4.94 120.64 115.46 1crr n GLU 76 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.76 1crr n GLU 76 Cb 0.17 -0.38 -0.02 0.00 -1.01 0.00 0.00 31.44 30.20 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 -2.51 1.57 -0.66 0.62 0.00 -0.75 -4.09 107.32 101.51 1crr s GLY 77 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 44.72 45.09 1crr s GLY 77 CO 0.00 2.60 0.54 -1.36 0.00 0.00 0.00 173.10 174.88 1crr s PHE 78 N 3.77 3.53 -1.21 1.90 0.40 -1.15 0.12 117.98 125.34 1crr s PHE 78 Ca 0.58 -2.16 -0.19 0.00 -0.60 0.00 0.00 56.93 54.56 1crr s PHE 78 Cb -0.22 -3.54 0.07 0.00 0.51 0.00 0.00 43.02 39.84 1crr s PHE 78 CO 0.18 -0.94 1.62 -1.17 0.70 0.00 0.00 175.22 175.61 1crr s LEU 79 N 0.47 3.85 -0.97 -0.37 2.96 -0.66 -1.98 118.68 121.97 1crr s LEU 79 Ca 0.14 -2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 51.61 1crr s LEU 79 Cb -0.19 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 1crr s LEU 79 CO -0.04 -1.24 1.88 0.00 -1.32 0.00 0.00 176.35 175.63 1crr s VAL 81 N 9.43 2.11 -0.30 0.00 1.01 -0.72 -2.51 120.40 129.42 1crr s VAL 81 Ca 0.66 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 1crr s VAL 81 Cb -0.05 -3.03 0.19 0.00 0.00 0.00 0.00 36.38 33.49 1crr s VAL 81 CO 0.00 -0.01 0.60 0.12 0.00 0.00 0.00 175.10 175.82 1crr s PHE 82 N -1.39 -1.64 -0.23 5.22 5.36 -0.46 -4.63 117.98 120.21 1crr s PHE 82 Ca 0.79 1.61 -0.29 0.00 -0.96 0.00 0.00 56.93 58.08 1crr s PHE 82 Cb -0.38 0.53 -0.02 0.00 -0.34 0.00 0.00 43.02 42.82 1crr s PHE 82 CO 0.41 -0.91 1.45 0.00 -1.46 0.00 0.00 175.22 174.71 1crr s ALA 83 N 2.86 3.38 0.56 11.12 0.00 -1.26 -1.62 121.76 136.80 1crr s ALA 83 Ca 0.19 0.36 0.23 0.00 0.00 0.00 0.00 51.96 52.74 1crr s ALA 83 Cb -0.14 -3.78 1.53 0.00 0.00 0.00 0.00 23.12 20.72 1crr s ALA 83 CO -0.22 -1.74 2.16 -0.84 0.00 0.00 0.00 175.76 175.13 1crr h ILE 84 N 5.95 0.74 0.00 0.00 -0.00 -1.62 -0.73 117.51 121.84 1crr h ILE 84 Ca -0.30 0.00 -0.19 0.00 -0.00 0.00 0.00 64.86 64.37 1crr h ILE 84 Cb 1.13 0.95 -0.02 0.00 -0.00 0.00 0.00 36.82 38.87 1crr h ILE 84 CO 1.01 0.00 -0.89 -1.13 -0.00 0.00 0.00 178.15 177.14 1crr h ASN 85 N 0.00 0.03 -3.11 2.16 -0.73 -1.81 -1.28 115.58 110.83 1crr h ASN 85 Ca 0.04 -0.02 -0.68 0.00 1.87 0.00 0.00 56.30 57.50 1crr h ASN 85 Cb 0.17 -0.01 -0.18 0.00 0.27 0.00 0.00 38.32 38.57 1crr h ASN 85 CO -0.00 0.90 0.12 0.21 -0.37 0.00 0.00 177.43 178.29 1crr s ASN 86 N -6.77 6.21 0.42 1.15 3.84 -0.28 -4.56 114.94 114.96 1crr s ASN 86 Ca -0.00 -1.04 0.12 0.00 0.21 0.00 0.00 52.86 52.15 1crr s ASN 86 Cb 0.11 -2.31 0.91 0.00 -0.55 0.00 0.00 41.25 39.41 1crr s ASN 86 CO 0.81 -1.01 1.97 0.74 -2.79 0.00 0.00 177.10 176.82 1crr h THR 87 N 5.90 1.14 -0.11 -5.21 2.02 -1.79 -2.10 112.91 112.75 1crr h THR 87 Ca -0.28 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1crr h THR 87 Cb 1.09 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1crr h THR 87 CO 1.02 0.19 0.02 0.50 0.37 0.00 0.00 175.52 177.62 1crr h LYS 88 N 0.14 0.15 -0.24 6.66 3.64 -1.90 -0.91 116.57 124.12 1crr h LYS 88 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1crr h LYS 88 Cb 0.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1crr h LYS 88 CO 0.02 0.16 -0.19 0.66 -2.27 0.00 0.00 179.45 177.82 1crr h SER 89 N 0.16 0.42 -0.09 4.20 4.64 -1.66 -1.97 113.55 119.24 1crr h SER 89 Ca 0.04 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1crr h SER 89 Cb 0.08 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1crr h SER 89 CO -0.00 0.62 0.03 0.15 -0.87 0.00 0.00 176.83 176.77 1crr h PHE 90 N 0.39 0.14 0.00 4.77 3.57 -1.22 -1.82 116.94 122.76 1crr h PHE 90 Ca 0.07 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1crr h PHE 90 Cb 0.56 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1crr h PHE 90 CO 0.02 0.25 -0.05 0.93 -2.23 0.00 0.00 178.31 177.23 1crr h GLU 91 N -0.02 0.00 -0.15 1.11 5.08 -1.30 -0.96 114.58 118.35 1crr h GLU 91 Ca 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1crr h GLU 91 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1crr h GLU 91 CO -0.00 0.05 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.16 1crr h ASP 92 N 0.00 0.39 0.70 1.42 5.19 -0.58 -2.74 116.42 120.80 1crr h ASP 92 Ca -0.00 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.14 1crr h ASP 92 Cb 0.11 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1crr h ASP 92 CO 0.01 0.80 -0.41 0.40 -3.12 0.00 0.00 179.24 176.92 1crr h ILE 93 N 0.29 1.02 0.67 0.35 1.08 -0.46 -1.42 117.51 119.05 1crr h ILE 93 Ca 0.02 -1.54 -0.03 0.00 -0.39 0.00 0.00 64.86 62.92 1crr h ILE 93 Cb 0.93 1.90 0.01 0.00 -3.07 0.00 0.00 36.82 36.58 1crr h ILE 93 CO 0.08 0.40 -0.34 -0.74 -0.69 0.00 0.00 178.15 176.86 1crr h HIS 94 N 0.00 -0.88 0.00 1.37 2.76 -1.21 -1.11 115.15 116.07 1crr h HIS 94 Ca -0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1crr h HIS 94 Cb 0.87 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 30.12 1crr h HIS 94 CO 0.00 -0.54 -0.14 1.96 -1.30 0.00 0.00 177.93 177.92 1crr h GLN 95 N -0.92 0.00 0.00 5.26 1.08 -1.61 -2.76 115.11 116.16 1crr h GLN 95 Ca -0.09 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1crr h GLN 95 Cb 0.71 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1crr h GLN 95 CO 0.14 0.14 -0.02 1.88 -0.95 0.00 0.00 178.83 180.02 1crr h TYR 96 N 0.00 0.00 -0.72 2.96 -1.99 -1.09 -2.91 116.97 113.22 1crr h TYR 96 Ca -0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.38 1crr h TYR 96 Cb 0.70 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.23 1crr h TYR 96 CO 0.00 0.02 0.44 -2.13 -0.00 0.00 0.00 178.16 176.49 1crr n ARG 97 N -3.11 2.20 0.00 4.88 0.63 -0.44 -3.99 116.66 116.83 1crr n ARG 97 Ca 0.02 -2.29 0.00 0.00 -0.92 0.00 0.00 57.85 54.66 1crr n ARG 97 Cb 0.40 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.40 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 -0.60 0.00 0.26 -0.14 1.02 -1.11 -4.71 120.64 115.37 1crr n GLU 98 Ca 0.42 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1crr n GLU 98 Cb 1.34 -0.35 0.78 0.00 -0.02 0.00 0.00 31.44 33.19 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1crr h GLN 99 N 0.00 0.00 -0.46 3.49 4.15 -1.70 0.96 115.11 121.54 1crr h GLN 99 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1crr h GLN 99 Cb 0.37 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1crr h GLN 99 CO 0.00 0.00 -0.21 0.82 -1.93 0.00 0.00 178.83 177.51 1crr h ILE 100 N 0.00 1.27 0.00 2.39 2.04 -1.86 -0.95 117.51 120.40 1crr h ILE 100 Ca 0.02 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 1crr h ILE 100 Cb 0.08 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1crr h ILE 100 CO -0.00 0.47 -0.20 0.11 0.00 0.00 0.00 178.15 178.52 1crr h LYS 101 N 0.82 0.00 0.59 2.37 1.57 -1.05 -2.73 116.57 118.14 1crr h LYS 101 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1crr h LYS 101 Cb 0.77 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.09 1crr h LYS 101 CO 0.06 0.20 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.77 1crr h ARG 102 N 0.00 -0.77 0.05 3.15 2.43 0.01 0.51 114.38 119.77 1crr h ARG 102 Ca -0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1crr h ARG 102 Cb 0.48 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1crr h ARG 102 CO 0.03 -0.46 -0.09 0.28 -1.51 0.00 0.00 179.97 178.21 1crr h VAL 103 N -1.10 0.00 0.00 0.20 2.07 -1.22 -1.55 116.25 114.65 1crr h VAL 103 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1crr h VAL 103 Cb 0.66 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1crr h VAL 103 CO 0.13 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.01 1crr n LYS 104 N -2.92 0.16 -3.54 1.57 4.76 -1.04 -4.87 118.16 112.27 1crr n LYS 104 Ca -0.02 0.45 -0.19 0.00 -2.87 0.00 0.00 58.31 55.68 1crr n LYS 104 Cb 0.08 -1.84 0.07 0.00 -1.84 0.00 0.00 35.03 31.50 1crr n LYS 104 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1crr n ASP 105 N -2.14 -2.35 -3.65 4.39 9.92 0.17 -4.98 116.55 117.91 1crr n ASP 105 Ca 0.01 -0.67 -0.07 0.00 -0.53 0.00 0.00 54.79 53.53 1crr n ASP 105 Cb 0.17 -4.79 -0.02 0.00 -0.64 0.00 0.00 41.12 35.85 1crr n ASP 105 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1crr s SER 106 N -4.22 -0.33 -0.58 -2.24 1.04 -0.56 -5.00 113.70 101.82 1crr s SER 106 Ca 0.09 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.30 1crr s SER 106 Cb -0.04 0.55 0.31 0.00 0.10 0.00 0.00 66.02 66.95 1crr s SER 106 CO 0.76 -0.97 0.87 -0.90 0.98 0.00 0.00 173.24 173.97 1crr n ASP 107 N -0.40 3.93 -2.71 7.02 5.68 -1.26 -4.29 116.55 124.52 1crr n ASP 107 Ca -0.09 -3.55 -0.07 0.00 -0.50 0.00 0.00 54.79 50.58 1crr n ASP 107 Cb 0.61 -0.60 0.09 0.00 -1.14 0.00 0.00 41.12 40.09 1crr n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1crr n ASP 108 N 0.15 -2.01 -5.00 -1.12 5.68 -1.26 -5.14 116.55 107.85 1crr n ASP 108 Ca 0.30 -2.99 -0.18 0.00 -0.50 0.00 0.00 54.79 51.42 1crr n ASP 108 Cb 0.42 1.52 0.01 0.00 -1.14 0.00 0.00 41.12 41.93 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 0.21 3.18 -1.50 2.12 1.01 -1.26 -4.97 120.40 119.18 1crr s VAL 109 Ca 0.21 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1crr s VAL 109 Cb 0.31 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1crr s VAL 109 CO -0.08 -0.04 2.60 -0.81 0.00 0.00 0.00 175.10 176.77 1crr n PRO 110 N -1.89 3.65 -2.37 2.72 -0.05 -1.26 -4.95 135.00 130.86 1crr n PRO 110 Ca 0.06 -2.63 -0.35 0.00 -0.05 0.00 0.00 63.50 60.53 1crr n PRO 110 Cb 0.59 -2.90 -0.01 0.00 -0.05 0.00 0.00 33.50 31.13 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 1.67 3.62 -0.19 0.54 1.75 -1.26 -2.96 119.30 122.47 1crr s MET 111 Ca 0.59 1.55 -0.06 0.00 -1.25 0.00 0.00 55.69 56.53 1crr s MET 111 Cb 0.16 -2.14 0.09 0.00 2.84 0.00 0.00 34.83 35.79 1crr s MET 111 CO -0.07 -0.62 0.38 0.08 -0.65 0.00 0.00 175.02 174.15 1crr s VAL 112 N -1.79 -0.60 -0.47 10.11 1.01 -0.84 -4.28 120.40 123.54 1crr s VAL 112 Ca 0.68 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 1crr s VAL 112 Cb -0.22 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1crr s VAL 112 CO 0.26 0.05 0.73 -0.22 0.00 0.00 0.00 175.10 175.92 1crr s LEU 113 N 2.57 4.47 -0.19 3.92 2.96 -1.04 -1.61 118.68 129.75 1crr s LEU 113 Ca 0.01 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 1crr s LEU 113 Cb -0.12 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1crr s LEU 113 CO -0.12 -0.91 0.11 -0.69 -1.32 0.00 0.00 176.35 173.41 1crr s VAL 114 N 3.09 5.23 -0.51 1.68 1.01 -1.05 -2.75 120.40 127.11 1crr s VAL 114 Ca 0.24 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1crr s VAL 114 Cb -0.14 -3.38 0.11 0.00 0.00 0.00 0.00 36.38 32.97 1crr s VAL 114 CO 0.18 0.45 0.45 -0.83 0.00 0.00 0.00 175.10 175.35 1crr s GLY 115 N 0.35 2.07 0.56 4.51 0.00 -0.82 -1.35 107.32 112.64 1crr s GLY 115 Ca 0.07 -2.41 -0.05 0.00 0.00 0.00 0.00 44.72 42.33 1crr s GLY 115 CO -0.01 1.14 0.86 0.21 0.00 0.00 0.00 173.10 175.30 1crr s ASN 116 N 3.20 5.65 -0.73 1.64 2.47 -0.64 0.50 114.94 127.03 1crr s ASN 116 Ca 0.04 0.64 -0.03 0.00 0.42 0.00 0.00 52.86 53.92 1crr s ASN 116 Cb -0.28 -1.68 -0.03 0.00 -1.45 0.00 0.00 41.25 37.80 1crr s ASN 116 CO 0.04 -0.99 0.63 1.17 -3.72 0.00 0.00 177.10 174.23 1crr n LYS 117 N -2.48 -2.30 -0.17 0.43 4.81 -0.11 -2.12 118.16 116.22 1crr n LYS 117 Ca 0.04 0.58 0.05 0.00 -0.87 0.00 0.00 58.31 58.11 1crr n LYS 117 Cb 0.58 -4.50 0.13 0.00 0.02 0.00 0.00 35.03 31.25 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1crr n ASP 119 N -0.04 7.16 -2.09 0.00 5.75 -1.26 -4.93 116.55 121.14 1crr n ASP 119 Ca 0.10 -3.47 -0.06 0.00 -0.01 0.00 0.00 54.79 51.36 1crr n ASP 119 Cb 0.47 -1.26 0.01 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 0.93 0.00 -0.09 -2.12 -0.00 -1.26 -5.09 117.00 109.37 1crr n LEU 120 Ca 0.46 -1.58 -0.18 0.00 -0.00 0.00 0.00 56.01 54.71 1crr n LEU 120 Cb 0.28 2.15 -0.06 0.00 -0.00 0.00 0.00 43.42 45.79 1crr n LEU 120 CO 0.62 -0.49 -1.01 0.00 -0.00 0.00 0.00 177.39 176.51 1crr n ALA 121 N -1.56 1.64 -1.69 1.47 0.00 -1.26 -4.83 120.51 114.29 1crr n ALA 121 Ca -0.10 -0.75 -0.22 0.00 0.00 0.00 0.00 53.44 52.38 1crr n ALA 121 Cb 0.35 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.44 1.14 -0.45 0.00 0.00 -1.26 -4.89 121.76 113.85 1crr s ALA 122 Ca -0.26 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1crr s ALA 122 Cb 0.09 -4.51 0.06 0.00 0.00 0.00 0.00 23.12 18.75 1crr s ALA 122 CO 0.34 -5.32 0.37 1.03 0.00 0.00 0.00 175.76 172.17 1crr s ARG 123 N 8.31 2.96 0.34 0.00 0.52 -1.26 -4.85 118.95 124.97 1crr s ARG 123 Ca 0.88 -1.27 0.14 0.00 -0.52 0.00 0.00 55.73 54.95 1crr s ARG 123 Cb -0.12 -4.08 0.59 0.00 0.52 0.00 0.00 34.95 31.86 1crr s ARG 123 CO 0.10 -0.96 1.73 1.79 0.02 0.00 0.00 175.30 177.99 1crr h THR 124 N 5.74 1.23 -3.52 0.02 1.35 -1.80 -3.39 112.91 112.54 1crr h THR 124 Ca -0.28 -1.64 -0.71 0.00 -0.55 0.00 0.00 66.41 63.23 1crr h THR 124 Cb 1.11 1.91 -0.27 0.00 -1.73 0.00 0.00 68.15 69.17 1crr h THR 124 CO 0.84 0.45 -0.50 -0.69 -0.25 0.00 0.00 175.52 175.38 1crr s VAL 125 N -3.83 4.31 0.35 6.82 1.01 -0.49 -4.96 120.40 123.61 1crr s VAL 125 Ca -0.02 -1.18 -0.28 0.00 0.00 0.00 0.00 61.98 60.50 1crr s VAL 125 Cb 0.13 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 1crr s VAL 125 CO 0.73 -0.38 1.36 -1.61 0.00 0.00 0.00 175.10 175.20 1crr s GLU 126 N 1.47 4.25 0.53 2.72 2.02 -1.26 -4.88 118.70 123.56 1crr s GLU 126 Ca 0.02 2.33 0.26 0.00 0.02 0.00 0.00 54.97 57.59 1crr s GLU 126 Cb -0.21 -3.02 1.50 0.00 0.10 0.00 0.00 34.13 32.50 1crr s GLU 126 CO 0.04 -0.32 2.13 0.77 0.02 0.00 0.00 175.26 177.89 1crr h SER 127 N 3.21 0.00 0.28 -0.19 0.02 -1.97 -2.36 113.55 112.53 1crr h SER 127 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1crr h SER 127 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1crr h SER 127 CO 0.65 0.08 -0.13 -0.09 -1.14 0.00 0.00 176.83 176.20 1crr h ARG 128 N 0.00 -0.36 -0.61 3.45 9.65 -1.99 -1.48 114.38 123.05 1crr h ARG 128 Ca -0.00 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.94 1crr h ARG 128 Cb 0.20 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1crr h ARG 128 CO 0.01 -0.02 0.40 -0.56 2.80 0.00 0.00 179.97 182.61 1crr h GLN 129 N -0.90 0.67 -0.05 0.20 3.07 -1.91 0.12 115.11 116.31 1crr h GLN 129 Ca -0.04 -0.04 -0.12 0.00 0.09 0.00 0.00 58.65 58.54 1crr h GLN 129 Cb 0.51 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 1crr h GLN 129 CO 0.06 0.44 -0.54 0.00 0.09 0.00 0.00 178.83 178.88 1crr h ALA 130 N 1.65 1.00 -0.04 0.06 0.00 -1.44 -2.61 119.26 117.89 1crr h ALA 130 Ca 0.25 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1crr h ALA 130 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1crr h ALA 130 CO -0.07 0.68 -0.48 1.96 0.00 0.00 0.00 179.25 181.34 1crr h GLN 131 N 0.11 0.10 0.00 0.00 4.20 0.11 -2.43 115.11 117.20 1crr h GLN 131 Ca -0.00 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1crr h GLN 131 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1crr h GLN 131 CO 0.08 0.56 -0.71 -0.44 -0.67 0.00 0.00 178.83 177.65 1crr h ASP 132 N 0.08 0.00 0.14 1.46 3.32 -1.02 -2.13 116.42 118.27 1crr h ASP 132 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1crr h ASP 132 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1crr h ASP 132 CO 0.07 0.71 -0.07 0.25 -1.72 0.00 0.00 179.24 178.48 1crr h LEU 133 N 0.00 -0.16 -0.54 1.55 6.46 -1.26 -2.93 115.31 118.43 1crr h LEU 133 Ca -0.01 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1crr h LEU 133 Cb 1.37 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.32 1crr h LEU 133 CO 0.09 0.38 0.36 0.00 -0.62 0.00 0.00 178.44 178.65 1crr h ALA 134 N -0.83 0.69 -0.73 1.25 0.00 -1.57 -2.13 119.26 115.95 1crr h ALA 134 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1crr h ALA 134 Cb 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1crr h ALA 134 CO 0.03 0.13 0.48 0.00 0.00 0.00 0.00 179.25 179.89 1crr h ARG 135 N 0.74 0.66 -0.76 0.00 2.47 -1.51 -0.29 114.38 115.69 1crr h ARG 135 Ca 0.20 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1crr h ARG 135 Cb -0.08 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.06 1crr h ARG 135 CO -0.04 0.44 0.26 1.03 0.56 0.00 0.00 179.97 182.21 1crr h SER 136 N 0.68 1.09 1.32 7.04 0.87 -1.18 -2.11 113.55 121.25 1crr h SER 136 Ca 0.33 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1crr h SER 136 Cb 0.38 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1crr h SER 136 CO -0.11 0.99 -0.03 -1.22 -0.53 0.00 0.00 176.83 175.93 1crr n TYR 137 N -4.27 0.67 -2.43 2.24 4.01 -0.38 -4.92 117.16 112.08 1crr n TYR 137 Ca 0.06 0.20 -0.02 0.00 -0.16 0.00 0.00 57.90 57.98 1crr n TYR 137 Cb 0.22 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 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 1.36 0.70 3.37 2.72 0.00 -0.26 -5.06 105.19 108.02 1crr n GLY 138 Ca 0.06 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.76 2.23 0.51 -0.61 -4.36 -0.96 -5.00 121.20 110.24 1crr s ILE 139 Ca 0.03 -1.50 -0.22 0.00 -0.26 0.00 0.00 60.65 58.69 1crr s ILE 139 Cb -0.01 -1.91 -0.06 0.00 1.25 0.00 0.00 42.46 41.72 1crr s ILE 139 CO 0.04 0.27 1.29 -2.16 0.24 0.00 0.00 174.94 174.62 1crr s PRO 140 N -1.54 3.39 -0.13 0.37 0.04 -1.26 -4.34 135.00 131.54 1crr s PRO 140 Ca 0.13 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.26 1crr s PRO 140 Cb -0.10 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1crr s PRO 140 CO 0.04 -0.94 -0.17 -0.47 0.04 0.00 0.00 177.00 175.50 1crr s TYR 141 N -1.38 2.74 0.35 0.56 5.04 -1.26 -2.49 117.35 120.90 1crr s TYR 141 Ca 0.68 -0.90 0.05 0.00 -2.44 0.00 0.00 57.07 54.47 1crr s TYR 141 Cb -0.36 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.09 1crr s TYR 141 CO 0.44 -0.36 0.21 0.42 -1.34 0.00 0.00 175.55 174.92 1crr s ILE 142 N 0.52 0.21 0.47 3.14 1.01 -1.11 -5.05 121.20 120.40 1crr s ILE 142 Ca -0.11 -2.00 0.04 0.00 0.00 0.00 0.00 60.65 58.59 1crr s ILE 142 Cb -0.16 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1crr s ILE 142 CO 0.04 0.00 0.10 -1.61 0.00 0.00 0.00 174.94 173.48 1crr s GLU 143 N -3.59 2.16 -0.08 2.79 2.02 -1.26 -1.95 118.70 118.78 1crr s GLU 143 Ca 0.35 -2.16 -0.30 0.00 0.02 0.00 0.00 54.97 52.88 1crr s GLU 143 Cb 0.03 -1.74 0.11 0.00 0.10 0.00 0.00 34.13 32.63 1crr s GLU 143 CO 0.22 -0.28 0.92 0.95 0.02 0.00 0.00 175.26 177.09 1crr s THR 144 N -2.77 0.00 -0.30 3.63 -4.23 0.18 -4.30 115.64 107.85 1crr s THR 144 Ca 0.24 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1crr s THR 144 Cb 0.03 -1.00 0.18 0.00 1.34 0.00 0.00 72.50 73.05 1crr s THR 144 CO 0.13 0.00 1.03 -0.55 -0.54 0.00 0.00 174.62 174.69 1crr s SER 145 N -1.72 -0.50 0.00 3.99 0.15 0.35 -0.93 113.70 115.04 1crr s SER 145 Ca 0.00 0.23 0.13 0.00 0.70 0.00 0.00 55.95 57.01 1crr s SER 145 Cb -0.01 1.39 0.57 0.00 -1.71 0.00 0.00 66.02 66.26 1crr s SER 145 CO -0.02 -0.09 1.41 0.00 1.20 0.00 0.00 173.24 175.73 1crr n ALA 146 N 5.37 1.62 1.52 5.45 0.00 -1.26 -2.50 120.51 130.70 1crr n ALA 146 Ca -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1crr n ALA 146 Cb 0.55 -1.21 0.21 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.48 1.38 -0.46 0.00 0.00 -1.26 -4.08 118.16 112.25 1crr n LYS 147 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 58.31 57.76 1crr n LYS 147 Cb 0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.09 0.00 -3.05 3.15 5.66 -1.04 -4.99 114.28 113.91 1crr n THR 148 Ca 0.09 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.90 1crr n THR 148 Cb 0.16 0.05 -0.01 0.00 -1.55 0.00 0.00 70.33 68.98 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1crr n ARG 149 N 0.00 -2.98 -3.82 1.09 1.74 -1.11 -4.92 116.66 106.66 1crr n ARG 149 Ca -0.03 0.46 -0.36 0.00 -0.77 0.00 0.00 57.85 57.15 1crr n ARG 149 Cb 0.43 -5.12 -0.11 0.00 -1.02 0.00 0.00 32.46 26.64 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1crr s GLN 150 N -5.66 3.85 0.00 5.56 -0.44 -1.12 -4.37 119.66 117.48 1crr s GLN 150 Ca 0.26 -0.39 0.00 0.00 -2.50 0.00 0.00 55.36 52.73 1crr s GLN 150 Cb -0.14 -3.36 0.00 0.00 -1.64 0.00 0.00 33.01 27.88 1crr s GLN 150 CO 0.32 -0.00 0.00 0.41 0.50 0.00 0.00 175.29 176.51 1crr n GLY 151 N 4.40 3.01 0.35 2.59 0.00 -1.26 -0.49 105.19 113.79 1crr n GLY 151 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.24 0.00 1.61 2.07 -1.81 -1.91 116.25 117.44 1crr h VAL 152 Ca 0.00 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1crr h VAL 152 Cb 0.00 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1crr h VAL 152 CO 0.00 0.28 -1.08 -0.33 0.02 0.00 0.00 177.57 176.46 1crr h GLU 153 N 1.12 0.00 0.00 1.57 5.08 -1.89 -2.98 114.58 117.48 1crr h GLU 153 Ca 0.28 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 1crr h GLU 153 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1crr h GLU 153 CO -0.04 0.31 -0.63 0.22 -1.00 0.00 0.00 179.01 177.87 1crr h ASP 154 N 0.00 0.00 0.02 1.42 3.58 -1.85 -2.11 116.42 117.48 1crr h ASP 154 Ca -0.10 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.15 1crr h ASP 154 Cb 1.45 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.47 1crr h ASP 154 CO 0.05 0.63 -1.13 0.00 -2.88 0.00 0.00 179.24 175.91 1crr h ALA 155 N 1.37 0.23 -0.62 -0.78 0.00 -1.47 -2.87 119.26 115.12 1crr h ALA 155 Ca -0.01 -1.11 -0.00 0.00 0.00 0.00 0.00 54.91 53.80 1crr h ALA 155 Cb 1.13 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1crr h ALA 155 CO 0.08 0.64 0.38 0.74 0.00 0.00 0.00 179.25 181.10 1crr h PHE 156 N -0.88 0.80 0.03 0.00 -1.00 -1.62 -1.21 116.94 113.06 1crr h PHE 156 Ca -0.30 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 1crr h PHE 156 Cb 1.34 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1crr h PHE 156 CO 0.13 0.53 -0.01 1.88 -1.61 0.00 0.00 178.31 179.22 1crr h TYR 157 N 0.85 -0.03 -0.00 -0.55 -1.99 -1.54 -3.01 116.97 110.70 1crr h TYR 157 Ca 0.23 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1crr h TYR 157 Cb -0.05 0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 1crr h TYR 157 CO 0.00 0.68 0.00 1.15 -0.00 0.00 0.00 178.16 179.99 1crr h THR 158 N -0.87 0.03 0.02 -2.88 2.02 -1.42 -1.77 112.91 108.04 1crr h THR 158 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1crr h THR 158 Cb 0.73 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1crr h THR 158 CO 0.01 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 176.14 1crr h LEU 159 N 0.00 -0.02 -2.29 2.58 6.46 -1.23 -2.59 115.31 118.21 1crr h LEU 159 Ca 0.00 -0.69 -0.01 0.00 -0.12 0.00 0.00 57.88 57.06 1crr h LEU 159 Cb 0.01 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1crr h LEU 159 CO -0.00 0.79 -0.04 0.58 -0.62 0.00 0.00 178.44 179.16 1crr h VAL 160 N -0.95 0.23 0.08 1.05 2.07 -1.34 -1.72 116.25 115.67 1crr h VAL 160 Ca -0.00 -0.27 -0.25 0.00 0.82 0.00 0.00 66.70 67.00 1crr h VAL 160 Cb 0.71 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1crr h VAL 160 CO 0.00 0.04 -1.15 -0.09 0.02 0.00 0.00 177.57 176.39 1crr h ARG 161 N 0.00 0.17 -0.00 1.57 2.43 -1.37 -2.16 114.38 115.01 1crr h ARG 161 Ca -0.00 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 1crr h ARG 161 Cb 0.21 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1crr h ARG 161 CO 0.00 1.13 -0.72 0.93 -1.51 0.00 0.00 179.97 179.81 1crr h GLU 162 N 0.05 0.01 0.15 0.20 5.08 -0.92 -2.41 114.58 116.74 1crr h GLU 162 Ca -0.09 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 57.97 1crr h GLU 162 Cb 1.89 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.15 1crr h GLU 162 CO 0.18 0.73 -1.31 0.82 -1.00 0.00 0.00 179.01 178.42 1crr h ILE 163 N 0.01 1.43 0.61 3.13 2.04 -1.44 -3.07 117.51 120.21 1crr h ILE 163 Ca -0.01 -2.98 -0.03 0.00 1.00 0.00 0.00 64.86 62.84 1crr h ILE 163 Cb 1.27 2.94 0.01 0.00 -0.74 0.00 0.00 36.82 40.30 1crr h ILE 163 CO 0.09 0.87 -0.29 0.03 0.00 0.00 0.00 178.15 178.86 1crr h ARG 164 N 0.08 -0.79 -0.29 2.37 3.08 -1.37 -3.30 114.38 114.16 1crr h ARG 164 Ca -0.17 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.00 1crr h ARG 164 Cb 2.01 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 32.16 1crr h ARG 164 CO 0.21 -0.53 -0.37 0.37 -1.07 0.00 0.00 179.97 178.59 1crr h GLN 165 N -1.17 -0.33 0.00 0.04 -0.00 -1.59 -3.51 115.11 108.55 1crr h GLN 165 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1crr h GLN 165 Cb 0.63 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.18 1crr h GLN 165 CO 0.14 -0.22 0.00 1.58 0.00 0.00 0.00 178.83 180.33