#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6c s ILE 2 N 0.00 4.27 -0.19 0.53 1.01 -1.26 -5.01 121.20 120.55 3a6c s ILE 2 Ca 0.00 1.60 -0.09 0.00 0.00 0.00 0.00 60.65 62.16 3a6c s ILE 2 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3a6c s ILE 2 CO 0.00 0.02 0.11 -0.69 0.00 0.00 0.00 174.94 174.37 3a6c s VAL 3 N 2.04 5.18 -0.18 2.92 1.01 -1.26 -4.76 120.40 125.35 3a6c s VAL 3 Ca 0.56 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3a6c s VAL 3 Cb -0.25 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3a6c s VAL 3 CO 0.23 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.98 3a6c s LEU 4 N 0.38 3.15 -0.19 3.92 1.43 -1.26 -1.02 118.68 125.09 3a6c s LEU 4 Ca 0.06 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3a6c s LEU 4 Cb -0.12 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3a6c s LEU 4 CO -0.01 0.09 -0.06 -0.89 0.23 0.00 0.00 176.35 175.71 3a6c s THR 5 N 0.81 3.32 -0.02 5.49 2.01 0.21 -3.88 115.64 123.58 3a6c s THR 5 Ca -0.01 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3a6c s THR 5 Cb -0.14 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3a6c s THR 5 CO 0.02 0.45 0.03 -1.10 -0.69 0.00 0.00 174.62 173.33 3a6c s GLN 6 N 1.14 2.92 -0.06 4.92 -0.21 -1.26 -0.82 119.66 126.28 3a6c s GLN 6 Ca 0.01 -0.53 -0.15 0.00 0.02 0.00 0.00 55.36 54.72 3a6c s GLN 6 Cb -0.14 -2.76 0.03 0.00 1.00 0.00 0.00 33.01 31.13 3a6c s GLN 6 CO -0.01 0.65 0.35 -1.54 -2.12 0.00 0.00 175.29 172.61 3a6c s SER 7 N -1.50 -0.28 0.86 5.90 1.04 -0.82 -4.40 113.70 114.50 3a6c s SER 7 Ca 0.20 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.86 3a6c s SER 7 Cb -0.12 0.48 0.11 0.00 0.10 0.00 0.00 66.02 66.60 3a6c s SER 7 CO 0.10 -0.33 1.15 -2.84 0.98 0.00 0.00 173.24 172.29 3a6c s PRO 8 N -0.75 1.57 0.27 4.02 0.02 -1.26 -1.23 135.00 137.63 3a6c s PRO 8 Ca -0.08 0.27 0.04 0.00 0.02 0.00 0.00 61.00 61.25 3a6c s PRO 8 Cb -0.04 -1.89 0.38 0.00 0.02 0.00 0.00 34.50 32.97 3a6c s PRO 8 CO 0.03 -1.90 1.67 0.00 -0.33 0.00 0.00 177.00 176.47 3a6c h ALA 9 N -1.28 1.03 -3.42 -1.55 0.00 -1.84 -3.42 119.26 108.77 3a6c h ALA 9 Ca -0.49 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 3a6c h ALA 9 Cb 1.32 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.77 3a6c h ALA 9 CO 0.63 0.61 -0.71 0.95 0.00 0.00 0.00 179.25 180.73 3a6c s THR 10 N -4.16 0.05 -0.04 0.00 -4.23 -1.26 -0.90 115.64 105.10 3a6c s THR 10 Ca -0.05 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3a6c s THR 10 Cb 0.13 -0.12 0.03 0.00 1.34 0.00 0.00 72.50 73.88 3a6c s THR 10 CO 0.79 -0.21 0.04 -0.22 -0.54 0.00 0.00 174.62 174.48 3a6c s LEU 11 N -0.61 0.43 -0.16 4.79 0.20 0.12 -4.90 118.68 118.54 3a6c s LEU 11 Ca -0.07 0.04 -0.07 0.00 0.69 0.00 0.00 54.13 54.73 3a6c s LEU 11 Cb -0.04 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.50 3a6c s LEU 11 CO -0.00 -0.21 0.08 -0.44 -0.29 0.00 0.00 176.35 175.48 3a6c s SER 12 N 1.89 5.77 0.02 3.68 0.01 -1.26 -1.20 113.70 122.62 3a6c s SER 12 Ca 0.02 0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.34 3a6c s SER 12 Cb -0.12 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.17 3a6c s SER 12 CO -0.03 0.23 0.21 0.54 0.41 0.00 0.00 173.24 174.60 3a6c s VAL 13 N 0.03 0.09 -0.15 3.43 0.11 -0.00 -4.81 120.40 119.10 3a6c s VAL 13 Ca 0.06 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.20 3a6c s VAL 13 Cb -0.12 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3a6c s VAL 13 CO 0.01 -0.41 0.39 -0.89 -3.33 0.00 0.00 175.10 170.86 3a6c s THR 14 N -2.07 5.24 0.14 5.04 2.01 -1.26 -2.91 115.64 121.83 3a6c s THR 14 Ca -0.09 0.75 -0.34 0.00 0.31 0.00 0.00 61.69 62.32 3a6c s THR 14 Cb -0.03 -3.72 -0.17 0.00 0.01 0.00 0.00 72.50 68.58 3a6c s THR 14 CO -0.01 0.34 1.01 -2.65 -0.69 0.00 0.00 174.62 172.63 3a6c n PRO 15 N 3.72 0.66 0.00 4.92 -0.02 -1.26 -1.46 135.00 141.57 3a6c n PRO 15 Ca -0.09 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3a6c n PRO 15 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3a6c n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a6c n GLY 16 N 1.88 1.75 3.90 -1.23 0.00 0.16 -4.94 105.19 106.71 3a6c n GLY 16 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3a6c n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a6c s ASN 17 N 0.01 6.11 0.14 1.61 0.01 -0.53 -4.36 114.94 117.93 3a6c s ASN 17 Ca 0.00 0.97 0.04 0.00 -0.71 0.00 0.00 52.86 53.16 3a6c s ASN 17 Cb 0.00 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3a6c s ASN 17 CO 0.00 -0.73 0.12 -0.44 -1.51 0.00 0.00 177.10 174.54 3a6c s SER 18 N -4.16 5.52 0.13 -1.22 0.01 -1.26 -0.20 113.70 112.52 3a6c s SER 18 Ca 0.50 -0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 3a6c s SER 18 Cb -0.10 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 3a6c s SER 18 CO 0.47 0.10 0.03 0.68 0.41 0.00 0.00 173.24 174.92 3a6c s VAL 19 N -1.65 0.27 -0.02 3.43 -7.23 -0.81 -4.94 120.40 109.45 3a6c s VAL 19 Ca 0.30 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3a6c s VAL 19 Cb -0.11 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.88 3a6c s VAL 19 CO 0.23 -0.56 0.02 -0.44 -0.31 0.00 0.00 175.10 174.05 3a6c s SER 20 N -3.06 0.10 -0.07 4.85 0.01 -1.26 -1.10 113.70 113.17 3a6c s SER 20 Ca 0.21 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.51 3a6c s SER 20 Cb 0.07 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 3a6c s SER 20 CO 0.00 -0.11 -0.07 -0.76 0.41 0.00 0.00 173.24 172.72 3a6c s LEU 21 N 0.92 3.16 0.01 2.44 1.43 0.16 -4.87 118.68 121.94 3a6c s LEU 21 Ca -0.08 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3a6c s LEU 21 Cb -0.11 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3a6c s LEU 21 CO -0.02 0.35 0.10 -0.55 0.23 0.00 0.00 176.35 176.46 3a6c s SER 22 N -0.75 5.78 -0.11 2.29 0.15 -0.37 -0.64 113.70 120.06 3a6c s SER 22 Ca 0.11 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 3a6c s SER 22 Cb -0.11 -1.68 0.06 0.00 -1.71 0.00 0.00 66.02 62.58 3a6c s SER 22 CO 0.02 0.25 0.20 0.00 1.20 0.00 0.00 173.24 174.91 3a6c s ARG 24 N 2.34 2.64 0.03 0.00 1.70 0.00 -1.05 118.95 124.61 3a6c s ARG 24 Ca 0.03 -0.84 -0.06 0.00 -0.47 0.00 0.00 55.73 54.39 3a6c s ARG 24 Cb -0.12 -2.26 -0.05 0.00 -0.57 0.00 0.00 34.95 31.95 3a6c s ARG 24 CO -0.07 0.41 0.29 0.00 -1.08 0.00 0.00 175.30 174.84 3a6c s ALA 25 N -0.21 3.84 -0.15 7.88 0.00 0.51 -0.62 121.76 133.01 3a6c s ALA 25 Ca -0.02 -0.57 0.27 0.00 0.00 0.00 0.00 51.96 51.65 3a6c s ALA 25 Cb -0.13 -2.08 1.29 0.00 0.00 0.00 0.00 23.12 22.20 3a6c s ALA 25 CO 0.03 0.65 1.82 0.66 0.00 0.00 0.00 175.76 178.93 3a6c h SER 26 N 3.82 0.00 -5.10 0.00 4.64 -1.41 -3.44 113.55 112.07 3a6c h SER 26 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 3a6c h SER 26 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 3a6c h SER 26 CO 0.67 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.49 3a6c s GLN 27 N -3.55 1.03 0.27 4.77 -2.07 -1.26 -4.99 119.66 113.86 3a6c s GLN 27 Ca 0.00 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.46 3a6c s GLN 27 Cb 0.09 0.44 -0.12 0.00 -1.09 0.00 0.00 33.01 32.33 3a6c s GLN 27 CO 0.35 -0.39 1.64 0.45 -1.32 0.00 0.00 175.29 176.02 3a6c s SER 28 N -2.82 6.35 -0.09 12.60 0.15 -1.26 -4.68 113.70 123.95 3a6c s SER 28 Ca 0.04 2.95 0.12 0.00 0.70 0.00 0.00 55.95 59.76 3a6c s SER 28 Cb 0.02 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.91 3a6c s SER 28 CO -0.11 -0.95 1.10 2.30 1.20 0.00 0.00 173.24 176.78 3a6c n ILE 29 N 2.65 1.18 0.00 6.45 -5.35 -0.01 -4.98 119.36 119.30 3a6c n ILE 29 Ca 0.10 -1.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 3a6c n ILE 29 Cb 0.37 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 3a6c n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a6c n GLY 30 N -0.84 4.14 0.30 3.28 0.00 -1.25 -1.48 105.19 109.33 3a6c n GLY 30 Ca 0.10 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.31 3a6c n GLY 30 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a6c n ASN 31 N 9.14 2.59 -2.94 1.61 6.94 -1.26 -0.81 115.26 130.52 3a6c n ASN 31 Ca 0.00 -2.44 -0.32 0.00 -0.02 0.00 0.00 54.58 51.80 3a6c n ASN 31 Cb 0.00 -0.25 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 3a6c n ASN 31 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3a6c n ASN 32 N -0.53 7.43 -3.98 0.53 3.02 -0.55 -2.35 115.26 118.83 3a6c n ASN 32 Ca 0.10 -2.83 -0.25 0.00 -0.03 0.00 0.00 54.58 51.57 3a6c n ASN 32 Cb 0.49 -1.42 -0.17 0.00 -0.61 0.00 0.00 39.78 38.08 3a6c n ASN 32 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a6c s LEU 33 N -0.94 1.50 0.18 3.41 1.98 -1.26 -1.74 118.68 121.81 3a6c s LEU 33 Ca 0.63 -0.28 0.11 0.00 -2.89 0.00 0.00 54.13 51.70 3a6c s LEU 33 Cb 0.25 -0.80 -0.04 0.00 0.66 0.00 0.00 46.19 46.26 3a6c s LEU 33 CO -0.09 -0.01 -0.24 -1.00 -1.89 0.00 0.00 176.35 173.12 3a6c s HIS 34 N 0.94 2.32 -0.08 5.38 3.76 0.84 0.76 115.29 129.21 3a6c s HIS 34 Ca -0.09 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.49 3a6c s HIS 34 Cb -0.15 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.35 3a6c s HIS 34 CO 0.00 0.47 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.59 3a6c s TRP 35 N -1.54 2.62 0.08 1.40 0.52 -0.18 -0.61 118.94 121.23 3a6c s TRP 35 Ca 0.19 -0.58 0.08 0.00 0.02 0.00 0.00 56.10 55.82 3a6c s TRP 35 Cb -0.08 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 3a6c s TRP 35 CO 0.09 -0.13 -0.22 0.71 0.02 0.00 0.00 176.95 177.43 3a6c s TYR 36 N -0.13 1.89 -0.03 -1.98 1.51 0.93 -0.39 117.35 119.15 3a6c s TYR 36 Ca -0.03 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 3a6c s TYR 36 Cb -0.14 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3a6c s TYR 36 CO 0.04 0.17 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.37 3a6c s GLN 37 N -1.59 2.45 -0.09 -0.62 0.74 -0.31 -0.50 119.66 119.74 3a6c s GLN 37 Ca 0.08 -0.74 -0.04 0.00 0.05 0.00 0.00 55.36 54.72 3a6c s GLN 37 Cb -0.10 -2.37 0.04 0.00 1.10 0.00 0.00 33.01 31.69 3a6c s GLN 37 CO 0.03 0.61 0.19 -1.14 -0.55 0.00 0.00 175.29 174.43 3a6c s GLN 38 N -0.90 0.12 0.23 1.67 0.74 0.46 -0.17 119.66 121.80 3a6c s GLN 38 Ca 0.12 0.49 0.08 0.00 0.05 0.00 0.00 55.36 56.10 3a6c s GLN 38 Cb -0.11 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 3a6c s GLN 38 CO 0.02 -0.20 0.04 0.15 -0.55 0.00 0.00 175.29 174.74 3a6c s LYS 39 N 1.53 2.47 0.25 1.67 1.02 -1.26 -0.82 119.74 124.60 3a6c s LYS 39 Ca -0.06 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 3a6c s LYS 39 Cb -0.11 -2.32 -0.14 0.00 -0.52 0.00 0.00 37.83 34.73 3a6c s LYS 39 CO -0.07 0.41 1.07 0.43 -0.92 0.00 0.00 175.35 176.27 3a6c n SER 40 N -0.67 1.37 -2.12 2.83 7.64 -1.26 -1.61 113.62 119.80 3a6c n SER 40 Ca -0.08 1.17 -0.20 0.00 1.01 0.00 0.00 58.87 60.77 3a6c n SER 40 Cb 0.57 -1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 3a6c n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3a6c n HIS 41 N 0.69 -0.78 -3.92 1.43 8.25 -1.26 -4.98 115.22 114.65 3a6c n HIS 41 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.48 3a6c n HIS 41 Cb 0.30 -3.73 -0.09 0.00 1.12 0.00 0.00 29.99 27.58 3a6c n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a6c s GLU 42 N -4.76 0.58 0.58 -0.41 2.02 -0.63 -5.16 118.70 110.92 3a6c s GLU 42 Ca 0.00 -0.72 -0.14 0.00 0.02 0.00 0.00 54.97 54.12 3a6c s GLU 42 Cb 0.00 0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.41 3a6c s GLU 42 CO 0.00 -0.15 1.02 -1.12 0.02 0.00 0.00 175.26 175.04 3a6c s SER 43 N -2.07 6.19 0.72 -0.19 0.01 -1.26 -4.49 113.70 112.60 3a6c s SER 43 Ca -0.06 1.59 -0.16 0.00 1.31 0.00 0.00 55.95 58.64 3a6c s SER 43 Cb -0.02 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.74 3a6c s SER 43 CO -0.04 -0.89 1.23 -2.84 0.41 0.00 0.00 173.24 171.11 3a6c s PRO 44 N -4.47 2.20 -0.11 12.44 0.02 -1.26 -4.67 135.00 139.15 3a6c s PRO 44 Ca 0.59 1.84 0.01 0.00 0.02 0.00 0.00 61.00 63.45 3a6c s PRO 44 Cb -0.12 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.59 3a6c s PRO 44 CO 0.41 -1.81 -0.11 0.50 -0.33 0.00 0.00 177.00 175.67 3a6c s ARG 45 N -3.79 1.76 0.02 5.54 3.52 0.76 -4.94 118.95 121.82 3a6c s ARG 45 Ca 0.76 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 3a6c s ARG 45 Cb -0.31 -1.65 -0.06 0.00 -1.56 0.00 0.00 34.95 31.37 3a6c s ARG 45 CO 0.44 -0.16 1.50 -1.17 -0.81 0.00 0.00 175.30 175.09 3a6c s LEU 46 N 1.33 4.33 -0.20 -0.88 2.96 -1.26 -1.16 118.68 123.79 3a6c s LEU 46 Ca -0.01 2.24 -0.04 0.00 -0.22 0.00 0.00 54.13 56.10 3a6c s LEU 46 Cb -0.14 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3a6c s LEU 46 CO -0.05 -0.79 -0.22 0.18 -1.32 0.00 0.00 176.35 174.16 3a6c n LEU 47 N 5.55 2.34 -3.87 -0.68 4.77 0.47 -4.96 117.00 120.62 3a6c n LEU 47 Ca 0.14 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 3a6c n LEU 47 Cb 0.42 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 3a6c n LEU 47 CO 0.60 0.67 -0.36 -0.63 -1.33 0.00 0.00 177.39 176.33 3a6c s ILE 48 N -2.39 0.03 0.14 -0.08 -1.09 -1.17 -4.06 121.20 112.57 3a6c s ILE 48 Ca -0.28 -0.00 0.10 0.00 -2.23 0.00 0.00 60.65 58.24 3a6c s ILE 48 Cb 0.09 -0.04 -0.04 0.00 -1.58 0.00 0.00 42.46 40.89 3a6c s ILE 48 CO 0.42 0.01 -0.24 -1.59 -1.23 0.00 0.00 174.94 172.31 3a6c s LYS 49 N 0.04 1.34 -1.29 2.79 -2.85 -0.75 -1.01 119.74 118.01 3a6c s LYS 49 Ca -0.00 -1.34 -0.07 0.00 -1.00 0.00 0.00 55.97 53.56 3a6c s LYS 49 Cb -0.01 -1.70 -0.00 0.00 -2.06 0.00 0.00 37.83 34.06 3a6c s LYS 49 CO -0.00 0.39 0.61 0.66 0.10 0.00 0.00 175.35 177.11 3a6c n TYR 50 N 0.78 -1.80 0.00 1.78 4.01 -1.15 -1.03 117.16 119.75 3a6c n TYR 50 Ca -0.17 0.66 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 3a6c n TYR 50 Cb 0.54 -3.77 0.00 0.00 -0.31 0.00 0.00 39.34 35.80 3a6c n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a6c n ALA 51 N -4.29 0.00 -1.07 -0.72 0.00 0.23 -3.85 120.51 110.81 3a6c n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3a6c n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3a6c n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a6c n SER 52 N 1.07 0.00 -4.71 0.00 3.41 -1.21 -2.43 113.62 109.75 3a6c n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 3a6c n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3a6c n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3a6c s GLN 53 N 0.00 4.50 0.63 4.33 -0.21 -0.20 -4.61 119.66 124.11 3a6c s GLN 53 Ca 0.00 1.57 -0.16 0.00 0.02 0.00 0.00 55.36 56.79 3a6c s GLN 53 Cb 0.00 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 3a6c s GLN 53 CO 0.00 -0.15 1.11 -1.12 -2.12 0.00 0.00 175.29 173.01 3a6c s SER 54 N 1.04 5.27 -0.11 5.90 0.01 -1.26 -1.80 113.70 122.74 3a6c s SER 54 Ca 0.55 2.02 0.03 0.00 1.31 0.00 0.00 55.95 59.86 3a6c s SER 54 Cb -0.25 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.43 3a6c s SER 54 CO 0.28 -1.52 -0.23 -0.63 0.41 0.00 0.00 173.24 171.55 3a6c s ILE 55 N -2.25 2.04 0.25 1.44 -1.09 -1.26 -4.83 121.20 115.51 3a6c s ILE 55 Ca 0.68 -0.99 -0.31 0.00 -2.23 0.00 0.00 60.65 57.79 3a6c s ILE 55 Cb -0.21 -1.78 -0.12 0.00 -1.58 0.00 0.00 42.46 38.77 3a6c s ILE 55 CO 0.39 0.55 1.62 -0.24 -1.23 0.00 0.00 174.94 176.03 3a6c n SER 56 N 3.74 3.74 0.00 3.58 2.88 -1.26 -2.19 113.62 124.10 3a6c n SER 56 Ca -0.19 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3a6c n SER 56 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3a6c n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a6c n GLY 57 N 2.90 0.77 3.88 0.46 0.00 -1.26 -5.06 105.19 106.88 3a6c n GLY 57 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3a6c n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a6c s ILE 58 N -2.44 5.39 0.34 -0.61 -1.09 -0.93 -5.05 121.20 116.81 3a6c s ILE 58 Ca 0.00 0.21 -0.28 0.00 -2.23 0.00 0.00 60.65 58.34 3a6c s ILE 58 Cb 0.00 -3.50 -0.12 0.00 -1.58 0.00 0.00 42.46 37.26 3a6c s ILE 58 CO 0.00 0.50 1.32 -2.65 -1.23 0.00 0.00 174.94 172.87 3a6c n PRO 59 N 1.55 2.18 0.19 2.79 -0.02 -1.26 -4.85 135.00 135.59 3a6c n PRO 59 Ca -0.15 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 3a6c n PRO 59 Cb 0.54 -2.37 0.66 0.00 -0.02 0.00 0.00 33.50 32.31 3a6c n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a6c h SER 60 N 2.70 0.00 0.37 2.55 4.64 -1.96 -2.75 113.55 119.09 3a6c h SER 60 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3a6c h SER 60 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3a6c h SER 60 CO 0.64 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.49 3a6c n ARG 61 N -2.50 0.03 -3.37 4.77 1.85 -1.26 -4.57 116.66 111.61 3a6c n ARG 61 Ca 0.00 0.36 -0.38 0.00 -1.00 0.00 0.00 57.85 56.84 3a6c n ARG 61 Cb 0.16 -1.58 -0.06 0.00 -1.05 0.00 0.00 32.46 29.93 3a6c n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3a6c s PHE 62 N -3.07 3.47 0.02 2.89 0.08 -1.04 -1.18 117.98 119.14 3a6c s PHE 62 Ca 0.04 0.77 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 3a6c s PHE 62 Cb 0.07 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3a6c s PHE 62 CO 0.21 0.14 0.05 -1.54 -0.10 0.00 0.00 175.22 173.97 3a6c s SER 63 N 0.69 0.17 0.18 1.36 1.04 -0.54 -5.00 113.70 111.60 3a6c s SER 63 Ca 0.22 -0.43 0.10 0.00 0.48 0.00 0.00 55.95 56.33 3a6c s SER 63 Cb -0.15 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 3a6c s SER 63 CO 0.08 -0.37 -0.22 -0.83 0.98 0.00 0.00 173.24 172.89 3a6c s GLY 64 N -1.59 1.57 0.11 7.32 0.00 -1.26 -0.52 107.32 112.96 3a6c s GLY 64 Ca -0.13 -1.57 -0.14 0.00 0.00 0.00 0.00 44.72 42.89 3a6c s GLY 64 CO -0.01 -1.60 0.33 -0.45 0.00 0.00 0.00 173.10 171.37 3a6c s SER 65 N -2.62 -0.12 0.00 1.64 0.15 -0.41 -4.29 113.70 108.05 3a6c s SER 65 Ca 0.18 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.41 3a6c s SER 65 Cb -0.07 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3a6c s SER 65 CO 0.08 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.32 3a6c n GLY 66 N -0.16 2.43 3.54 9.45 0.00 -1.26 -1.12 105.19 118.05 3a6c n GLY 66 Ca -0.16 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 3a6c n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a6c s SER 67 N 0.00 -0.30 0.53 1.61 1.04 -1.14 -4.87 113.70 110.58 3a6c s SER 67 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3a6c s SER 67 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3a6c s SER 67 CO 0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3a6c n GLY 68 N -0.22 1.82 0.00 7.32 0.00 0.01 -3.46 105.19 110.65 3a6c n GLY 68 Ca -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3a6c n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a6c n THR 69 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -0.83 114.28 108.54 3a6c n THR 69 Ca 0.00 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 3a6c n THR 69 Cb 0.00 0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 3a6c n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a6c s ASP 70 N -2.21 4.13 0.17 3.42 1.01 -1.22 -0.36 116.67 121.60 3a6c s ASP 70 Ca -0.01 -0.42 0.07 0.00 0.71 0.00 0.00 52.55 52.90 3a6c s ASP 70 Cb 0.02 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.21 3a6c s ASP 70 CO 0.13 0.00 -0.14 -0.36 0.21 0.00 0.00 175.17 175.01 3a6c s PHE 71 N 1.34 1.55 -0.03 4.23 0.40 -0.21 -2.89 117.98 122.36 3a6c s PHE 71 Ca 0.04 -0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 55.71 3a6c s PHE 71 Cb -0.14 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.64 3a6c s PHE 71 CO -0.04 0.24 0.16 0.95 0.70 0.00 0.00 175.22 177.23 3a6c s THR 72 N -2.75 0.04 -0.17 0.64 -4.23 -0.28 -1.40 115.64 107.49 3a6c s THR 72 Ca 0.17 -0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 3a6c s THR 72 Cb -0.02 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.49 3a6c s THR 72 CO 0.04 -0.18 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.60 3a6c s LEU 73 N -0.61 2.61 -0.01 4.79 2.96 0.19 -1.29 118.68 127.32 3a6c s LEU 73 Ca -0.07 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 3a6c s LEU 73 Cb -0.04 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3a6c s LEU 73 CO 0.01 0.07 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.52 3a6c s SER 74 N 0.92 3.99 -0.23 3.68 0.01 0.32 0.39 113.70 122.79 3a6c s SER 74 Ca -0.03 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3a6c s SER 74 Cb -0.15 -0.78 0.05 0.00 0.21 0.00 0.00 66.02 65.35 3a6c s SER 74 CO -0.01 0.31 -0.11 -0.63 0.41 0.00 0.00 173.24 173.21 3a6c s ILE 75 N -0.82 1.90 -0.55 1.44 1.01 -0.26 -1.46 121.20 122.45 3a6c s ILE 75 Ca 0.13 -1.32 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 3a6c s ILE 75 Cb -0.11 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.41 3a6c s ILE 75 CO 0.03 0.07 0.92 0.21 0.00 0.00 0.00 174.94 176.16 3a6c s ASN 76 N 1.25 6.32 -0.19 3.58 3.04 -0.32 -1.92 114.94 126.70 3a6c s ASN 76 Ca -0.05 -0.44 -0.05 0.00 0.04 0.00 0.00 52.86 52.36 3a6c s ASN 76 Cb -0.18 -2.42 0.01 0.00 -1.54 0.00 0.00 41.25 37.11 3a6c s ASN 76 CO -0.07 -1.21 0.24 -0.24 -3.04 0.00 0.00 177.10 172.78 3a6c n SER 77 N 7.37 -4.34 -4.69 -4.21 2.88 -1.24 -4.80 113.62 104.59 3a6c n SER 77 Ca 0.01 0.18 -0.43 0.00 -1.33 0.00 0.00 58.87 57.29 3a6c n SER 77 Cb 0.47 -2.73 -0.02 0.00 -0.75 0.00 0.00 64.21 61.18 3a6c n SER 77 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3a6c n VAL 78 N -0.55 1.40 -4.26 2.46 0.31 0.72 -4.60 118.33 113.81 3a6c n VAL 78 Ca 0.04 -0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 63.78 3a6c n VAL 78 Cb 0.23 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.49 3a6c n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3a6c s GLU 79 N -1.04 2.33 0.40 5.55 0.41 -1.26 -0.67 118.70 124.43 3a6c s GLU 79 Ca 0.62 -1.29 0.12 0.00 -0.41 0.00 0.00 54.97 54.01 3a6c s GLU 79 Cb -0.59 -2.24 0.95 0.00 -1.78 0.00 0.00 34.13 30.47 3a6c s GLU 79 CO 0.55 0.40 1.93 1.79 -0.49 0.00 0.00 175.26 179.43 3a6c h THR 80 N 2.13 0.86 0.00 3.63 1.35 -1.98 0.62 112.91 119.51 3a6c h THR 80 Ca -0.46 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3a6c h THR 80 Cb 1.23 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3a6c h THR 80 CO 0.59 0.10 0.00 -1.84 -0.25 0.00 0.00 175.52 174.12 3a6c n GLU 81 N -4.49 0.14 0.03 4.72 0.28 -1.26 -2.36 120.64 117.69 3a6c n GLU 81 Ca 0.14 0.20 0.12 0.00 -0.16 0.00 0.00 57.16 57.45 3a6c n GLU 81 Cb 0.44 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.98 3a6c n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3a6c n ASP 82 N -1.32 0.60 -4.73 -1.84 8.00 0.21 -4.90 116.55 112.58 3a6c n ASP 82 Ca 0.05 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 3a6c n ASP 82 Cb 0.10 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3a6c n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a6c s PHE 83 N -3.10 3.12 -5.00 1.24 0.08 -0.99 -4.83 117.98 108.50 3a6c s PHE 83 Ca 0.08 0.90 0.00 0.00 0.12 0.00 0.00 56.93 58.03 3a6c s PHE 83 Cb 0.15 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 3a6c s PHE 83 CO 0.73 -2.74 0.00 0.41 -0.10 0.00 0.00 175.22 173.52 3a6c n GLY 84 N 3.07 -0.34 3.91 4.36 0.00 -0.55 -4.92 105.19 110.71 3a6c n GLY 84 Ca 0.10 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 3a6c n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a6c s MET 85 N -2.00 3.49 -0.07 1.61 -1.94 0.00 -0.76 119.30 119.63 3a6c s MET 85 Ca 0.00 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 3a6c s MET 85 Cb 0.00 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 33.85 3a6c s MET 85 CO 0.00 0.59 -0.10 0.71 -0.01 0.00 0.00 175.02 176.21 3a6c s TYR 86 N -1.50 1.37 0.02 -0.03 1.51 -0.33 -0.40 117.35 117.98 3a6c s TYR 86 Ca 0.35 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.93 3a6c s TYR 86 Cb -0.13 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3a6c s TYR 86 CO 0.25 -0.32 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.12 3a6c s PHE 87 N 0.93 1.71 0.15 2.71 0.08 0.34 -1.04 117.98 122.86 3a6c s PHE 87 Ca -0.10 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.65 3a6c s PHE 87 Cb -0.15 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 3a6c s PHE 87 CO 0.01 0.04 0.15 0.00 -0.10 0.00 0.00 175.22 175.31 3a6c s GLN 89 N -3.05 0.22 0.02 0.00 0.74 0.22 -0.41 119.66 117.39 3a6c s GLN 89 Ca 0.31 0.36 0.01 0.00 0.05 0.00 0.00 55.36 56.09 3a6c s GLN 89 Cb -0.10 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 3a6c s GLN 89 CO 0.24 -0.08 0.07 1.14 -0.55 0.00 0.00 175.29 176.11 3a6c s GLN 90 N 0.52 2.97 -0.01 1.67 1.03 -0.51 -0.11 119.66 125.21 3a6c s GLN 90 Ca -0.03 -0.56 0.02 0.00 0.04 0.00 0.00 55.36 54.82 3a6c s GLN 90 Cb -0.05 -2.79 0.03 0.00 0.03 0.00 0.00 33.01 30.23 3a6c s GLN 90 CO -0.03 0.62 0.89 -1.13 -2.54 0.00 0.00 175.29 173.10 3a6c n SER 91 N 1.01 1.46 -0.18 12.60 3.41 -0.71 -3.37 113.62 127.84 3a6c n SER 91 Ca -0.12 -1.85 -0.08 0.00 -0.26 0.00 0.00 58.87 56.56 3a6c n SER 91 Cb 0.52 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3a6c n SER 91 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3a6c h ASP 92 N 0.00 0.70 -4.48 4.04 3.58 -1.87 -3.45 116.42 114.95 3a6c h ASP 92 Ca 0.00 -0.15 -0.41 0.00 0.42 0.00 0.00 57.03 56.89 3a6c h ASP 92 Cb 0.70 -0.18 -0.22 0.00 1.72 0.00 0.00 39.33 41.35 3a6c h ASP 92 CO 0.00 0.66 -0.78 -0.44 -2.88 0.00 0.00 179.24 175.80 3a6c s SER 93 N -5.96 1.62 -0.07 2.28 0.01 -1.26 -5.14 113.70 105.18 3a6c s SER 93 Ca -0.13 -0.59 -0.13 0.00 1.31 0.00 0.00 55.95 56.40 3a6c s SER 93 Cb 0.12 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 3a6c s SER 93 CO 0.77 -0.07 0.34 0.86 0.41 0.00 0.00 173.24 175.55 3a6c s TRP 94 N -1.23 3.62 0.37 2.43 -0.11 -1.26 -3.29 118.94 119.47 3a6c s TRP 94 Ca -0.02 0.80 -0.25 0.00 1.22 0.00 0.00 56.10 57.85 3a6c s TRP 94 Cb -0.10 -2.27 -0.09 0.00 -1.50 0.00 0.00 33.47 29.52 3a6c s TRP 94 CO 0.02 0.51 1.08 -1.25 -4.62 0.00 0.00 176.95 172.69 3a6c s PRO 95 N -0.50 4.23 0.40 5.86 0.04 -1.26 -5.03 135.00 138.74 3a6c s PRO 95 Ca 0.21 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 3a6c s PRO 95 Cb -0.15 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 3a6c s PRO 95 CO 0.09 -0.11 1.29 0.71 0.04 0.00 0.00 177.00 179.02 3a6c s TYR 96 N -1.50 2.88 0.10 0.56 2.02 -1.21 -4.76 117.35 115.44 3a6c s TYR 96 Ca 0.55 1.43 0.05 0.00 -0.37 0.00 0.00 57.07 58.73 3a6c s TYR 96 Cb -0.26 -3.64 -0.03 0.00 -0.40 0.00 0.00 41.96 37.63 3a6c s TYR 96 CO 0.33 -1.97 -0.13 0.95 -1.57 0.00 0.00 175.55 173.16 3a6c s THR 97 N -1.26 1.18 0.09 -0.71 -4.23 -1.22 -4.99 115.64 104.50 3a6c s THR 97 Ca 0.56 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 3a6c s THR 97 Cb -0.37 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 3a6c s THR 97 CO 0.48 -0.36 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.79 3a6c s PHE 98 N -1.84 2.87 0.96 3.99 0.08 -1.26 -1.43 117.98 121.35 3a6c s PHE 98 Ca 0.04 -0.08 -0.14 0.00 0.12 0.00 0.00 56.93 56.87 3a6c s PHE 98 Cb -0.07 -1.50 0.17 0.00 -0.57 0.00 0.00 43.02 41.05 3a6c s PHE 98 CO 0.02 0.45 1.16 0.20 -0.10 0.00 0.00 175.22 176.95 3a6c s GLY 99 N -2.17 1.61 0.00 4.36 0.00 0.45 -4.55 107.32 107.02 3a6c s GLY 99 Ca 0.23 -0.69 0.24 0.00 0.00 0.00 0.00 44.72 44.50 3a6c s GLY 99 CO 0.15 -0.06 1.79 0.61 0.00 0.00 0.00 173.10 175.59 3a6c n GLY 100 N -2.32 -1.22 0.00 0.20 0.00 -1.25 -4.72 105.19 95.88 3a6c n GLY 100 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3a6c n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6c n GLY 101 N 0.90 -0.12 3.06 -0.02 0.00 -1.26 -5.03 105.19 102.71 3a6c n GLY 101 Ca 0.08 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 3a6c n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a6c s THR 102 N -2.80 1.43 -0.21 2.61 2.01 -0.21 -4.70 115.64 113.77 3a6c s THR 102 Ca 0.00 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 3a6c s THR 102 Cb 0.00 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 3a6c s THR 102 CO 0.00 0.43 0.47 -0.75 -0.69 0.00 0.00 174.62 174.08 3a6c s LYS 103 N 0.85 4.16 -0.22 4.92 2.20 -0.08 -1.19 119.74 130.39 3a6c s LYS 103 Ca -0.10 0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 3a6c s LYS 103 Cb -0.15 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3a6c s LYS 103 CO 0.01 -0.14 0.05 -1.17 -0.36 0.00 0.00 175.35 173.73 3a6c s LEU 104 N 1.63 3.46 0.10 5.43 2.96 0.06 0.14 118.68 132.47 3a6c s LEU 104 Ca 0.22 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3a6c s LEU 104 Cb -0.15 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3a6c s LEU 104 CO 0.09 0.04 0.06 -1.83 -1.32 0.00 0.00 176.35 173.39 3a6c s GLU 105 N 1.19 0.84 0.39 1.98 -1.05 -0.34 -1.48 118.70 120.22 3a6c s GLU 105 Ca 0.04 -1.30 -0.24 0.00 -0.15 0.00 0.00 54.97 53.32 3a6c s GLU 105 Cb -0.14 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.71 3a6c s GLU 105 CO 0.03 -0.23 1.05 -1.50 0.95 0.00 0.00 175.26 175.56 3a6c s ILE 106 N -3.98 3.74 -0.15 1.83 2.07 -1.26 -0.82 121.20 122.62 3a6c s ILE 106 Ca 0.16 1.35 0.01 0.00 -1.41 0.00 0.00 60.65 60.77 3a6c s ILE 106 Cb 0.07 -3.71 0.01 0.00 0.13 0.00 0.00 42.46 38.96 3a6c s ILE 106 CO -0.03 0.03 0.54 2.29 -1.91 0.00 0.00 174.94 175.86