#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6u s VAL 3 N 0.00 3.65 -0.19 0.00 1.01 -1.26 -5.00 120.40 118.61 1a6u s VAL 3 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 1a6u s VAL 3 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1a6u s VAL 3 CO 0.00 0.47 0.03 -0.69 0.00 0.00 0.00 175.10 174.91 1a6u s VAL 4 N 0.70 4.28 -0.04 2.92 1.01 -1.26 -1.66 120.40 126.36 1a6u s VAL 4 Ca -0.02 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1a6u s VAL 4 Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1a6u s VAL 4 CO 0.02 0.43 -0.25 -0.89 0.00 0.00 0.00 175.10 174.42 1a6u s THR 5 N 0.78 2.00 0.19 3.92 2.01 0.05 -4.09 115.64 120.50 1a6u s THR 5 Ca 0.02 -1.06 0.07 0.00 0.31 0.00 0.00 61.69 61.02 1a6u s THR 5 Cb -0.14 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1a6u s THR 5 CO 0.02 0.56 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.28 1a6u s GLN 6 N -0.35 1.24 0.51 4.92 -0.21 -1.26 -1.63 119.66 122.87 1a6u s GLN 6 Ca 0.02 -1.54 -0.23 0.00 0.02 0.00 0.00 55.36 53.63 1a6u s GLN 6 Cb -0.12 -0.97 -0.06 0.00 1.00 0.00 0.00 33.01 32.86 1a6u s GLN 6 CO 0.02 0.15 1.40 -1.21 -2.12 0.00 0.00 175.29 173.53 1a6u s GLU 7 N -3.65 3.36 0.18 2.91 8.01 -1.26 -4.89 118.70 123.35 1a6u s GLU 7 Ca 0.20 2.35 0.04 0.00 0.01 0.00 0.00 54.97 57.58 1a6u s GLU 7 Cb 0.00 -2.43 0.02 0.00 -4.31 0.00 0.00 34.13 27.41 1a6u s GLU 7 CO 0.05 -1.06 1.40 0.66 0.01 0.00 0.00 175.26 176.32 1a6u h SER 8 N 1.82 0.19 -4.76 -0.19 4.64 -1.96 -3.33 113.55 109.96 1a6u h SER 8 Ca -0.51 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 60.59 1a6u h SER 8 Cb 1.29 -0.06 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 1a6u h SER 8 CO 0.59 0.95 0.09 0.00 -0.87 0.00 0.00 176.83 177.59 1a6u s ALA 9 N -3.22 -1.60 0.05 5.18 0.00 -1.26 -2.01 121.76 118.90 1a6u s ALA 9 Ca -0.02 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1a6u s ALA 9 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1a6u s ALA 9 CO 0.82 -0.34 -0.06 -0.51 0.00 0.00 0.00 175.76 175.66 1a6u s LEU 10 N -0.85 2.31 -0.03 0.00 1.43 -0.74 -4.94 118.68 115.87 1a6u s LEU 10 Ca -0.09 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1a6u s LEU 10 Cb -0.02 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.15 1a6u s LEU 10 CO 0.07 -0.30 -0.05 0.28 0.23 0.00 0.00 176.35 176.59 1a6u s THR 11 N -1.96 0.51 0.38 5.49 -1.32 -1.26 -1.84 115.64 115.64 1a6u s THR 11 Ca -0.06 -0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.32 1a6u s THR 11 Cb -0.06 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 1a6u s THR 11 CO -0.02 0.20 0.20 0.28 -2.21 0.00 0.00 174.62 173.07 1a6u s THR 12 N 0.67 0.32 0.11 5.08 -1.32 -0.14 -4.97 115.64 115.38 1a6u s THR 12 Ca -0.09 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.46 1a6u s THR 12 Cb -0.12 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1a6u s THR 12 CO 0.00 0.00 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.29 1a6u s SER 13 N -3.52 2.28 0.04 8.08 1.04 -1.26 -0.39 113.70 119.97 1a6u s SER 13 Ca 0.30 -0.71 -0.33 0.00 0.48 0.00 0.00 55.95 55.69 1a6u s SER 13 Cb 0.02 -0.11 -0.12 0.00 0.10 0.00 0.00 66.02 65.91 1a6u s SER 13 CO 0.20 -0.01 1.79 -2.65 0.98 0.00 0.00 173.24 173.54 1a6u n PRO 14 N 0.94 2.33 0.00 4.02 -0.02 -1.26 -1.28 135.00 139.73 1a6u n PRO 14 Ca -0.18 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1a6u n PRO 14 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1a6u n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6u n GLY 15 N 4.08 3.25 3.73 -1.23 0.00 0.31 -4.90 105.19 110.43 1a6u n GLY 15 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1a6u n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a6u s GLU 16 N -0.69 1.46 -0.12 1.61 2.02 -0.41 -2.96 118.70 119.61 1a6u s GLU 16 Ca 0.00 0.86 -0.03 0.00 0.02 0.00 0.00 54.97 55.82 1a6u s GLU 16 Cb 0.00 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 1a6u s GLU 16 CO 0.00 -2.11 -0.00 0.99 0.02 0.00 0.00 175.26 174.15 1a6u s THR 17 N -2.94 4.27 0.01 3.63 2.01 -1.26 -0.71 115.64 120.64 1a6u s THR 17 Ca 0.63 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1a6u s THR 17 Cb -0.18 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1a6u s THR 17 CO 0.57 0.55 -0.02 0.54 -0.69 0.00 0.00 174.62 175.57 1a6u s VAL 18 N -0.34 0.12 -0.07 3.82 0.11 -0.15 -4.99 120.40 118.90 1a6u s VAL 18 Ca 0.07 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1a6u s VAL 18 Cb -0.12 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1a6u s VAL 18 CO 0.02 -0.25 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.48 1a6u s THR 19 N -0.78 1.48 0.03 5.04 2.01 -1.26 -0.91 115.64 121.26 1a6u s THR 19 Ca -0.08 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1a6u s THR 19 Cb -0.05 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1a6u s THR 19 CO -0.00 0.43 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.50 1a6u s LEU 20 N 0.36 3.02 0.34 4.42 1.02 0.11 -4.97 118.68 122.99 1a6u s LEU 20 Ca -0.12 -0.25 0.08 0.00 0.02 0.00 0.00 54.13 53.86 1a6u s LEU 20 Cb -0.15 -1.76 -0.07 0.00 0.02 0.00 0.00 46.19 44.23 1a6u s LEU 20 CO 0.05 0.26 -0.05 0.42 0.02 0.00 0.00 176.35 177.04 1a6u s THR 21 N -1.02 1.95 -0.16 5.49 -4.23 -1.26 -1.04 115.64 115.36 1a6u s THR 21 Ca 0.17 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1a6u s THR 21 Cb -0.11 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.11 1a6u s THR 21 CO 0.08 -0.16 0.16 0.00 -0.54 0.00 0.00 174.62 174.16 1a6u s ARG 23 N 2.25 1.75 -0.09 0.00 1.70 -0.65 -1.06 118.95 122.85 1a6u s ARG 23 Ca 0.04 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 1a6u s ARG 23 Cb -0.15 -2.04 -0.03 0.00 -0.57 0.00 0.00 34.95 32.16 1a6u s ARG 23 CO -0.10 0.49 -0.07 0.45 -1.08 0.00 0.00 175.30 175.00 1a6u s SER 24 N -1.74 4.59 0.28 -2.89 0.15 -1.26 -0.77 113.70 112.06 1a6u s SER 24 Ca 0.15 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1a6u s SER 24 Cb -0.10 -1.30 0.40 0.00 -1.71 0.00 0.00 66.02 63.30 1a6u s SER 24 CO 0.06 0.31 1.90 -1.28 1.20 0.00 0.00 173.24 175.43 1a6u h SER 25 N 5.65 0.91 -0.20 5.45 0.87 -1.70 -3.21 113.55 121.32 1a6u h SER 25 Ca -0.43 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1a6u h SER 25 Cb 1.18 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1a6u h SER 25 CO 0.54 0.74 0.00 0.35 -0.53 0.00 0.00 176.83 177.94 1a6u n THR 26 N -4.35 0.24 -1.96 2.23 -2.24 -1.26 -4.97 114.28 101.96 1a6u n THR 26 Ca 0.07 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1a6u n THR 26 Cb 0.11 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1a6u n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a6u n GLY 27 N 1.40 -0.05 3.78 3.38 0.00 -1.21 -5.10 105.19 107.39 1a6u n GLY 27 Ca 0.17 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1a6u n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6u s ALA 28 N -1.00 2.69 -0.15 4.61 0.00 -1.26 -4.18 121.76 122.46 1a6u s ALA 28 Ca 0.00 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 1a6u s ALA 28 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1a6u s ALA 28 CO 0.00 -0.80 0.63 0.08 0.00 0.00 0.00 175.76 175.67 1a6u s VAL 29 N -2.05 5.05 0.39 0.00 1.01 -0.20 -4.98 120.40 119.61 1a6u s VAL 29 Ca 0.69 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.95 1a6u s VAL 29 Cb -0.20 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1a6u s VAL 29 CO 0.30 0.17 0.02 0.42 0.00 0.00 0.00 175.10 176.02 1a6u s THR 30 N 1.46 1.76 0.59 3.92 -4.23 -1.26 -4.60 115.64 113.27 1a6u s THR 30 Ca 0.31 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.10 1a6u s THR 30 Cb -0.16 -2.93 0.37 0.00 1.34 0.00 0.00 72.50 71.11 1a6u s THR 30 CO 0.12 0.00 2.01 0.71 -0.54 0.00 0.00 174.62 176.93 1a6u h THR 31 N 1.86 0.43 0.00 3.99 1.35 -2.00 0.27 112.91 118.82 1a6u h THR 31 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1a6u h THR 31 Cb 1.24 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1a6u h THR 31 CO 0.78 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.81 1a6u n SER 32 N -3.77 0.00 0.00 5.36 2.88 -1.26 -1.20 113.62 115.63 1a6u n SER 32 Ca 0.04 0.34 0.11 0.00 -1.33 0.00 0.00 58.87 58.03 1a6u n SER 32 Cb 0.47 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 1a6u n SER 32 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a6u n ASN 33 N -1.39 0.74 -4.03 -3.46 5.03 0.96 -4.87 115.26 108.24 1a6u n ASN 33 Ca 0.02 -0.63 -0.29 0.00 0.87 0.00 0.00 54.58 54.56 1a6u n ASN 33 Cb 0.07 0.97 -0.02 0.00 -1.02 0.00 0.00 39.78 39.78 1a6u n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1a6u n TYR 34 N -1.68 -1.72 -1.63 3.10 4.01 -0.34 -0.62 117.16 118.29 1a6u n TYR 34 Ca 0.03 0.77 -0.56 0.00 -0.16 0.00 0.00 57.90 57.98 1a6u n TYR 34 Cb 0.38 -3.53 -0.07 0.00 -0.31 0.00 0.00 39.34 35.81 1a6u n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a6u n ALA 35 N -4.42 -1.14 -2.40 -0.72 0.00 -1.26 -3.77 120.51 106.81 1a6u n ALA 35 Ca -0.18 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 1a6u n ALA 35 Cb 0.62 -2.07 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 1a6u n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a6u s ASN 36 N 1.65 3.45 -0.12 0.00 0.01 -0.90 -0.86 114.94 118.17 1a6u s ASN 36 Ca 0.92 -0.57 0.02 0.00 -0.71 0.00 0.00 52.86 52.52 1a6u s ASN 36 Cb -1.09 -0.40 0.01 0.00 0.41 0.00 0.00 41.25 40.19 1a6u s ASN 36 CO 0.58 0.24 -0.19 0.26 -1.51 0.00 0.00 177.10 176.48 1a6u s TRP 37 N -0.92 2.26 -0.00 2.20 0.52 -0.61 -0.72 118.94 121.68 1a6u s TRP 37 Ca 0.14 -1.06 0.07 0.00 0.02 0.00 0.00 56.10 55.27 1a6u s TRP 37 Cb -0.10 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 1a6u s TRP 37 CO 0.04 -0.50 -0.23 0.08 0.02 0.00 0.00 176.95 176.36 1a6u s VAL 38 N 0.82 1.83 -0.19 4.03 1.01 0.60 -0.58 120.40 127.92 1a6u s VAL 38 Ca -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1a6u s VAL 38 Cb -0.16 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1a6u s VAL 38 CO 0.00 0.45 -0.02 -1.58 0.00 0.00 0.00 175.10 173.95 1a6u s GLN 39 N -0.72 3.59 -0.24 2.72 0.74 -0.28 -0.09 119.66 125.39 1a6u s GLN 39 Ca 0.09 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 1a6u s GLN 39 Cb -0.09 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1a6u s GLN 39 CO -0.00 0.05 -0.04 -2.00 -0.55 0.00 0.00 175.29 172.75 1a6u s GLU 40 N 0.89 3.18 0.21 1.67 2.12 -0.44 -0.78 118.70 125.55 1a6u s GLU 40 Ca 0.00 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.63 1a6u s GLU 40 Cb -0.14 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1a6u s GLU 40 CO 0.02 -0.28 0.25 0.15 -0.54 0.00 0.00 175.26 174.86 1a6u s LYS 41 N 1.43 3.18 -0.30 4.30 -0.14 0.64 -2.06 119.74 126.81 1a6u s LYS 41 Ca 0.04 -0.84 -0.40 0.00 -1.36 0.00 0.00 55.97 53.41 1a6u s LYS 41 Cb -0.15 -2.76 -0.16 0.00 -1.68 0.00 0.00 37.83 33.08 1a6u s LYS 41 CO -0.03 0.45 1.76 -0.35 -0.76 0.00 0.00 175.35 176.42 1a6u n PRO 42 N -0.96 1.10 -2.78 -1.68 -0.04 -1.26 -2.06 135.00 127.31 1a6u n PRO 42 Ca -0.08 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1a6u n PRO 42 Cb 0.56 -2.09 0.01 0.00 -0.04 0.00 0.00 33.50 31.94 1a6u n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a6u n ASP 43 N 5.50 -6.62 -3.13 3.54 8.00 -1.26 -4.63 116.55 117.95 1a6u n ASP 43 Ca 0.27 -0.11 -0.19 0.00 0.71 0.00 0.00 54.79 55.48 1a6u n ASP 43 Cb 0.12 -4.49 0.07 0.00 -0.02 0.00 0.00 41.12 36.81 1a6u n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a6u n HIS 44 N -1.75 -2.34 -3.37 1.24 1.44 -0.88 -4.94 115.22 104.62 1a6u n HIS 44 Ca -0.01 0.86 -0.44 0.00 -2.01 0.00 0.00 57.72 56.13 1a6u n HIS 44 Cb 0.51 -4.51 -0.09 0.00 0.12 0.00 0.00 29.99 26.03 1a6u n HIS 44 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1a6u s LEU 45 N -6.25 5.19 -0.17 2.39 2.96 -0.90 -4.97 118.68 116.94 1a6u s LEU 45 Ca 0.39 -0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 1a6u s LEU 45 Cb -0.17 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1a6u s LEU 45 CO 0.62 -0.59 0.05 -0.36 -1.32 0.00 0.00 176.35 174.76 1a6u s PHE 46 N 1.88 3.24 -0.05 5.38 0.40 -1.26 -0.26 117.98 127.31 1a6u s PHE 46 Ca 0.07 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1a6u s PHE 46 Cb -0.20 -2.05 -0.00 0.00 0.51 0.00 0.00 43.02 41.28 1a6u s PHE 46 CO 0.10 0.17 -0.17 0.95 0.70 0.00 0.00 175.22 176.97 1a6u s THR 47 N 0.25 1.47 0.48 0.64 -4.23 0.03 -4.99 115.64 109.29 1a6u s THR 47 Ca 0.03 -0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 59.60 1a6u s THR 47 Cb -0.12 -1.26 -0.08 0.00 1.34 0.00 0.00 72.50 72.37 1a6u s THR 47 CO 0.01 0.42 1.06 -0.83 -0.54 0.00 0.00 174.62 174.74 1a6u s GLY 48 N 0.06 2.59 0.00 3.99 0.00 -1.26 -1.12 107.32 111.58 1a6u s GLY 48 Ca -0.05 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1a6u s GLY 48 CO 0.02 1.03 0.00 1.04 0.00 0.00 0.00 173.10 175.20 1a6u n LEU 49 N -0.84 2.31 -3.85 0.66 4.77 0.25 -4.80 117.00 115.51 1a6u n LEU 49 Ca 0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1a6u n LEU 49 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1a6u n LEU 49 CO 0.41 0.38 -0.25 -0.63 -1.33 0.00 0.00 177.39 175.98 1a6u s ILE 50 N -1.80 0.01 0.15 -0.08 -1.09 -1.16 -1.26 121.20 115.96 1a6u s ILE 50 Ca 0.00 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.31 1a6u s ILE 50 Cb 0.00 -0.18 -0.04 0.00 -1.58 0.00 0.00 42.46 40.66 1a6u s ILE 50 CO 0.00 -0.06 0.06 -0.83 -1.23 0.00 0.00 174.94 172.88 1a6u s GLY 51 N -0.14 1.08 -1.20 6.18 0.00 -0.57 -1.57 107.32 111.10 1a6u s GLY 51 Ca -0.02 -1.52 -0.32 0.00 0.00 0.00 0.00 44.72 42.86 1a6u s GLY 51 CO 0.00 -1.39 0.70 0.61 0.00 0.00 0.00 173.10 173.02 1a6u n GLY 52 N -0.14 -0.86 3.96 0.20 0.00 -1.18 -1.21 105.19 105.96 1a6u n GLY 52 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1a6u n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6u n THR 53 N -4.88 0.00 -1.89 2.61 -1.04 -0.04 -3.78 114.28 105.26 1a6u n THR 53 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1a6u n THR 53 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1a6u n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1a6u n ASN 54 N 0.00 0.00 -4.52 8.00 2.04 -0.96 -3.58 115.26 116.24 1a6u n ASN 54 Ca 0.00 -1.33 -0.43 0.00 -0.44 0.00 0.00 54.58 52.38 1a6u n ASN 54 Cb 0.00 -0.07 -0.06 0.00 -2.53 0.00 0.00 39.78 37.12 1a6u n ASN 54 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1a6u s ASN 55 N -0.33 6.35 0.21 0.53 0.01 -0.35 -4.70 114.94 116.66 1a6u s ASN 55 Ca 0.00 -0.31 -0.30 0.00 -0.71 0.00 0.00 52.86 51.54 1a6u s ASN 55 Cb 0.00 -2.35 -0.09 0.00 0.41 0.00 0.00 41.25 39.22 1a6u s ASN 55 CO 0.00 -0.87 1.30 -0.60 -1.51 0.00 0.00 177.10 175.42 1a6u s ARG 56 N 3.05 4.40 0.38 -0.60 3.52 -1.26 -1.51 118.95 126.91 1a6u s ARG 56 Ca 0.25 2.05 -0.24 0.00 -0.13 0.00 0.00 55.73 57.66 1a6u s ARG 56 Cb -0.14 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 1a6u s ARG 56 CO 0.20 -0.23 0.99 0.00 -0.81 0.00 0.00 175.30 175.45 1a6u s ALA 57 N -0.02 3.12 0.46 6.12 0.00 -0.39 -4.96 121.76 126.09 1a6u s ALA 57 Ca 0.56 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 1a6u s ALA 57 Cb -0.36 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1a6u s ALA 57 CO 0.39 -0.02 1.35 -2.14 0.00 0.00 0.00 175.76 175.35 1a6u s PRO 58 N -2.45 3.62 0.00 0.00 0.02 -1.26 -2.08 135.00 132.85 1a6u s PRO 58 Ca 0.56 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1a6u s PRO 58 Cb -0.19 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1a6u s PRO 58 CO 0.24 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1a6u n GLY 59 N 0.63 3.10 3.66 0.52 0.00 -1.26 -5.04 105.19 106.80 1a6u n GLY 59 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1a6u n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6u s VAL 60 N -2.68 3.79 0.97 1.61 1.01 -0.88 -4.97 120.40 119.24 1a6u s VAL 60 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.84 1a6u s VAL 60 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1a6u s VAL 60 CO 0.00 -0.07 0.03 -2.65 0.00 0.00 0.00 175.10 172.40 1a6u n PRO 61 N 6.69 -0.21 -0.34 2.72 -0.02 -1.26 -4.88 135.00 137.71 1a6u n PRO 61 Ca 0.16 -0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.57 1a6u n PRO 61 Cb 0.43 -1.59 0.10 0.00 -0.02 0.00 0.00 33.50 32.42 1a6u n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a6u h ALA 62 N -1.39 1.19 0.00 3.55 0.00 -2.00 -3.19 119.26 117.41 1a6u h ALA 62 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a6u h ALA 62 Cb 1.29 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a6u h ALA 62 CO 0.31 0.67 0.00 2.89 0.00 0.00 0.00 179.25 183.11 1a6u n ARG 63 N -4.34 0.02 -4.31 0.00 1.85 -1.26 -4.64 116.66 103.99 1a6u n ARG 63 Ca 0.10 0.24 -0.33 0.00 -1.00 0.00 0.00 57.85 56.86 1a6u n ARG 63 Cb 0.09 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.91 1a6u n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a6u s PHE 64 N -2.50 3.09 -0.28 2.89 0.40 -1.21 -0.78 117.98 119.59 1a6u s PHE 64 Ca 0.01 0.10 -0.24 0.00 -0.60 0.00 0.00 56.93 56.20 1a6u s PHE 64 Cb 0.01 -1.69 0.09 0.00 0.51 0.00 0.00 43.02 41.94 1a6u s PHE 64 CO 0.02 0.46 0.86 -1.54 0.70 0.00 0.00 175.22 175.72 1a6u s SER 65 N -1.43 -0.62 0.24 1.36 1.04 -0.47 -5.00 113.70 108.81 1a6u s SER 65 Ca 0.18 1.19 0.06 0.00 0.48 0.00 0.00 55.95 57.86 1a6u s SER 65 Cb -0.11 1.21 -0.03 0.00 0.10 0.00 0.00 66.02 67.18 1a6u s SER 65 CO 0.09 -0.20 0.29 -0.83 0.98 0.00 0.00 173.24 173.56 1a6u s GLY 66 N 0.41 1.33 0.04 7.32 0.00 -1.26 -0.78 107.32 114.37 1a6u s GLY 66 Ca 0.01 -1.29 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 1a6u s GLY 66 CO -0.04 -1.32 1.18 -1.35 0.00 0.00 0.00 173.10 171.58 1a6u s SER 67 N -3.86 -0.10 -0.20 1.64 1.04 -0.82 -4.66 113.70 106.74 1a6u s SER 67 Ca 0.33 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.46 1a6u s SER 67 Cb -0.09 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1a6u s SER 67 CO 0.27 -0.49 0.09 -0.76 0.98 0.00 0.00 173.24 173.33 1a6u s LEU 68 N -2.96 3.90 -0.21 2.42 1.43 -1.26 -0.90 118.68 121.10 1a6u s LEU 68 Ca 0.13 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1a6u s LEU 68 Cb 0.03 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1a6u s LEU 68 CO -0.02 0.14 -0.13 -0.63 0.23 0.00 0.00 176.35 175.94 1a6u s ILE 69 N 0.57 1.93 0.00 -0.59 1.01 0.02 -4.97 121.20 119.17 1a6u s ILE 69 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1a6u s ILE 69 Cb -0.13 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1a6u s ILE 69 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1a6u n GLY 70 N 4.58 3.51 1.25 6.18 0.00 -1.26 -1.89 105.19 117.57 1a6u n GLY 70 Ca -0.16 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1a6u n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a6u n ASN 71 N 4.44 3.66 -4.22 1.61 6.94 -1.26 -4.87 115.26 121.56 1a6u n ASN 71 Ca 0.00 -2.32 -0.17 0.00 -0.02 0.00 0.00 54.58 52.07 1a6u n ASN 71 Cb 0.00 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 36.82 1a6u n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a6u s LYS 72 N -1.74 0.96 0.29 -3.83 1.02 -0.79 -1.03 119.74 114.61 1a6u s LYS 72 Ca 0.38 -1.19 -0.19 0.00 0.02 0.00 0.00 55.97 54.99 1a6u s LYS 72 Cb 0.24 -0.80 -0.09 0.00 -0.52 0.00 0.00 37.83 36.66 1a6u s LYS 72 CO 0.19 0.15 0.79 0.00 -0.92 0.00 0.00 175.35 175.56 1a6u s ALA 73 N -2.12 3.31 -0.00 5.17 0.00 -0.23 -0.79 121.76 127.10 1a6u s ALA 73 Ca 0.07 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1a6u s ALA 73 Cb -0.05 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1a6u s ALA 73 CO 0.02 0.28 0.16 0.00 0.00 0.00 0.00 175.76 176.22 1a6u s ALA 74 N -1.76 -0.39 -0.11 0.00 0.00 -0.07 -1.42 121.76 118.01 1a6u s ALA 74 Ca 0.50 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1a6u s ALA 74 Cb -0.14 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1a6u s ALA 74 CO 0.19 -0.21 -0.16 -1.17 0.00 0.00 0.00 175.76 174.41 1a6u s LEU 75 N -1.35 1.79 -0.05 0.00 2.96 -0.21 -1.94 118.68 119.88 1a6u s LEU 75 Ca -0.14 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1a6u s LEU 75 Cb -0.07 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 1a6u s LEU 75 CO 0.02 0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.01 1a6u s THR 76 N 0.96 2.79 -0.14 3.68 2.01 0.04 -0.71 115.64 124.27 1a6u s THR 76 Ca -0.07 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1a6u s THR 76 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1a6u s THR 76 CO -0.02 0.58 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.69 1a6u s ILE 77 N -0.59 1.77 -0.19 1.82 1.01 -0.08 -1.37 121.20 123.56 1a6u s ILE 77 Ca 0.08 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 1a6u s ILE 77 Cb -0.11 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1a6u s ILE 77 CO 0.01 0.49 0.09 -0.89 0.00 0.00 0.00 174.94 174.64 1a6u s THR 78 N 1.08 4.98 -0.94 2.92 2.01 0.04 -0.98 115.64 124.75 1a6u s THR 78 Ca -0.03 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 1a6u s THR 78 Cb -0.14 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 1a6u s THR 78 CO -0.05 0.44 0.82 0.61 -0.69 0.00 0.00 174.62 175.75 1a6u n GLY 79 N 3.64 -0.92 3.75 4.40 0.00 0.10 -4.75 105.19 111.41 1a6u n GLY 79 Ca -0.16 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1a6u n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6u n ALA 80 N -3.06 2.54 -2.50 4.61 0.00 0.11 -4.41 120.51 117.80 1a6u n ALA 80 Ca -0.07 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 1a6u n ALA 80 Cb 0.61 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 1a6u n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a6u s GLN 81 N -0.67 2.42 0.51 0.00 -1.52 -1.26 -0.53 119.66 118.60 1a6u s GLN 81 Ca 0.63 -1.53 0.29 0.00 -1.95 0.00 0.00 55.36 52.79 1a6u s GLN 81 Cb -0.49 -2.21 1.33 0.00 -0.22 0.00 0.00 33.01 31.42 1a6u s GLN 81 CO 0.50 0.08 1.99 1.79 -0.25 0.00 0.00 175.29 179.40 1a6u h THR 82 N 1.47 0.41 -0.46 -0.19 1.35 -1.96 -1.56 112.91 111.97 1a6u h THR 82 Ca -0.44 -0.69 0.02 0.00 -0.55 0.00 0.00 66.41 64.76 1a6u h THR 82 Cb 1.25 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 1a6u h THR 82 CO 0.63 0.12 0.30 -0.08 -0.25 0.00 0.00 175.52 176.24 1a6u h GLU 83 N 0.00 0.52 0.00 4.72 4.81 -1.97 -1.39 114.58 121.26 1a6u h GLU 83 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1a6u h GLU 83 Cb 0.48 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1a6u h GLU 83 CO 0.02 0.34 0.00 -0.25 -0.73 0.00 0.00 179.01 178.39 1a6u n ASP 84 N -4.47 0.01 -4.68 1.04 8.00 -0.59 -4.77 116.55 111.09 1a6u n ASP 84 Ca 0.05 0.50 -0.45 0.00 0.71 0.00 0.00 54.79 55.60 1a6u n ASP 84 Cb 0.13 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.68 1a6u n ASP 84 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1a6u n GLU 85 N -1.51 2.51 -3.09 -1.24 2.13 -0.53 -4.85 120.64 114.06 1a6u n GLU 85 Ca 0.05 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1a6u n GLU 85 Cb 0.24 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.16 1a6u n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a6u n ALA 86 N 5.86 0.00 -2.92 4.31 0.00 -1.13 -4.90 120.51 121.73 1a6u n ALA 86 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 1a6u n ALA 86 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 1a6u n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6u s ILE 87 N -2.40 4.33 -0.21 0.00 1.01 -0.87 -1.13 121.20 121.92 1a6u s ILE 87 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 1a6u s ILE 87 Cb 0.00 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1a6u s ILE 87 CO 0.00 0.45 0.03 -0.31 0.00 0.00 0.00 174.94 175.11 1a6u s TYR 88 N 0.61 3.09 0.16 3.97 1.51 -0.32 -1.33 117.35 125.04 1a6u s TYR 88 Ca 0.01 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1a6u s TYR 88 Cb -0.14 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1a6u s TYR 88 CO 0.02 -0.21 0.08 -0.06 -1.11 0.00 0.00 175.55 174.27 1a6u s PHE 89 N 1.08 3.03 0.13 2.71 0.40 0.87 -1.45 117.98 124.76 1a6u s PHE 89 Ca 0.03 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.37 1a6u s PHE 89 Cb -0.14 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1a6u s PHE 89 CO 0.02 0.52 -0.16 0.00 0.70 0.00 0.00 175.22 176.31 1a6u s ALA 91 N -1.99 0.89 0.04 0.00 0.00 0.11 -0.56 121.76 120.24 1a6u s ALA 91 Ca 0.10 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.69 1a6u s ALA 91 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1a6u s ALA 91 CO 0.04 0.20 -0.19 -0.51 0.00 0.00 0.00 175.76 175.30 1a6u s LEU 92 N -0.15 2.16 -0.22 0.00 1.43 0.35 -2.12 118.68 120.14 1a6u s LEU 92 Ca 0.02 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1a6u s LEU 92 Cb -0.05 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1a6u s LEU 92 CO -0.00 0.14 0.08 0.86 0.23 0.00 0.00 176.35 177.66 1a6u s TRP 93 N -0.78 3.17 -0.51 0.29 -0.11 0.21 -0.99 118.94 120.22 1a6u s TRP 93 Ca 0.06 -0.12 0.04 0.00 1.22 0.00 0.00 56.10 57.30 1a6u s TRP 93 Cb -0.08 -2.18 0.39 0.00 -1.50 0.00 0.00 33.47 30.10 1a6u s TRP 93 CO 0.01 -0.10 1.16 0.66 -4.62 0.00 0.00 176.95 174.06 1a6u n TYR 94 N 4.30 3.52 0.00 5.86 4.01 0.12 -4.43 117.16 130.53 1a6u n TYR 94 Ca -0.16 -3.24 0.00 0.00 -0.16 0.00 0.00 57.90 54.34 1a6u n TYR 94 Cb 0.52 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1a6u n TYR 94 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1a6u n SER 95 N -0.42 0.00 -1.01 7.72 7.64 -1.26 -3.92 113.62 122.36 1a6u n SER 95 Ca 0.39 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.33 1a6u n SER 95 Cb 0.56 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.98 1a6u n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1a6u n ASN 96 N 2.34 2.92 -3.63 6.43 2.04 -1.26 -5.04 115.26 119.07 1a6u n ASN 96 Ca 0.00 -2.17 -0.03 0.00 -0.44 0.00 0.00 54.58 51.95 1a6u n ASN 96 Cb 0.00 -0.40 -0.02 0.00 -2.53 0.00 0.00 39.78 36.83 1a6u n ASN 96 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1a6u s HIS 97 N -1.58 -0.04 0.07 -2.53 -3.43 -1.25 -5.16 115.29 101.37 1a6u s HIS 97 Ca 0.32 0.02 -0.01 0.00 -0.80 0.00 0.00 55.06 54.59 1a6u s HIS 97 Cb 0.19 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.80 1a6u s HIS 97 CO 0.18 -0.06 0.24 -1.58 -2.00 0.00 0.00 174.74 171.52 1a6u s TRP 98 N -2.13 3.51 -0.04 0.38 0.52 -1.26 0.11 118.94 120.04 1a6u s TRP 98 Ca 0.11 0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.55 1a6u s TRP 98 Cb -0.01 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1a6u s TRP 98 CO -0.03 0.56 -0.02 0.08 0.02 0.00 0.00 176.95 177.56 1a6u s VAL 99 N -1.53 0.34 0.10 4.03 1.01 -0.16 -4.97 120.40 119.21 1a6u s VAL 99 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1a6u s VAL 99 Cb -0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1a6u s VAL 99 CO 0.27 0.19 0.29 -0.36 0.00 0.00 0.00 175.10 175.49 1a6u s PHE 100 N 1.04 3.50 0.84 5.22 0.40 -1.26 -0.49 117.98 127.23 1a6u s PHE 100 Ca -0.09 0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 56.53 1a6u s PHE 100 Cb -0.14 -1.89 0.11 0.00 0.51 0.00 0.00 43.02 41.62 1a6u s PHE 100 CO -0.01 0.51 1.20 0.20 0.70 0.00 0.00 175.22 177.83 1a6u s GLY 101 N -2.43 1.66 0.36 4.36 0.00 0.27 -4.60 107.32 106.94 1a6u s GLY 101 Ca 0.38 -0.85 0.27 0.00 0.00 0.00 0.00 44.72 44.51 1a6u s GLY 101 CO 0.26 -0.29 1.77 -1.33 0.00 0.00 0.00 173.10 173.51 1a6u h GLY 102 N -1.18 0.00 0.00 0.20 0.00 -1.89 -3.43 103.07 96.77 1a6u h GLY 102 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1a6u h GLY 102 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1a6u n GLY 103 N 0.66 1.23 3.12 4.60 0.00 -1.26 -5.02 105.19 108.52 1a6u n GLY 103 Ca 0.03 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 1a6u n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6u s THR 104 N -2.07 2.23 -0.17 2.61 2.01 -0.53 -4.49 115.64 115.24 1a6u s THR 104 Ca 0.00 -1.12 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 1a6u s THR 104 Cb 0.00 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1a6u s THR 104 CO 0.00 0.35 0.92 -1.59 -0.69 0.00 0.00 174.62 173.61 1a6u s LYS 105 N 1.25 4.32 -0.21 4.92 0.00 -0.85 -1.18 119.74 127.99 1a6u s LYS 105 Ca 0.01 1.18 -0.05 0.00 0.00 0.00 0.00 55.97 57.10 1a6u s LYS 105 Cb -0.15 -3.58 -0.02 0.00 0.00 0.00 0.00 37.83 34.07 1a6u s LYS 105 CO -0.10 -0.39 0.01 -1.17 0.00 0.00 0.00 175.35 173.71 1a6u s LEU 106 N 2.33 3.25 -0.15 2.77 2.96 -0.29 -1.79 118.68 127.77 1a6u s LEU 106 Ca 0.42 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1a6u s LEU 106 Cb -0.17 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1a6u s LEU 106 CO 0.13 0.04 0.06 -0.89 -1.32 0.00 0.00 176.35 174.36 1a6u s THR 107 N 1.16 4.77 -0.37 3.68 2.01 -0.77 -2.84 115.64 123.28 1a6u s THR 107 Ca 0.03 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 1a6u s THR 107 Cb -0.14 -3.10 0.09 0.00 0.01 0.00 0.00 72.50 69.35 1a6u s THR 107 CO 0.01 0.52 0.13 -0.69 -0.69 0.00 0.00 174.62 173.91 1a6u s VAL 108 N -0.13 3.11 -0.85 3.82 1.01 -1.26 -0.97 120.40 125.14 1a6u s VAL 108 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1a6u s VAL 108 Cb -0.12 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1a6u s VAL 108 CO 0.01 -0.52 0.21 0.18 0.00 0.00 0.00 175.10 174.98