#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6b s ILE 2 N 0.00 3.87 -0.18 0.53 1.01 -1.26 -5.01 121.20 120.15 3a6b s ILE 2 Ca 0.00 1.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 3a6b s ILE 2 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3a6b s ILE 2 CO 0.00 0.06 0.04 -0.69 0.00 0.00 0.00 174.94 174.34 3a6b s VAL 3 N 1.61 4.51 -0.20 2.92 1.01 -1.26 -4.76 120.40 124.23 3a6b s VAL 3 Ca 0.60 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 3a6b s VAL 3 Cb -0.30 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3a6b s VAL 3 CO 0.27 0.46 -0.00 -0.76 0.00 0.00 0.00 175.10 175.07 3a6b s LEU 4 N 0.50 3.27 -0.19 3.92 1.43 -1.26 -1.09 118.68 125.26 3a6b s LEU 4 Ca 0.01 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3a6b s LEU 4 Cb -0.13 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3a6b s LEU 4 CO 0.01 0.08 -0.07 -0.89 0.23 0.00 0.00 176.35 175.71 3a6b s THR 5 N 0.92 3.29 -0.03 5.49 2.01 -0.14 -3.83 115.64 123.35 3a6b s THR 5 Ca 0.01 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3a6b s THR 5 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 3a6b s THR 5 CO 0.02 0.46 0.01 -1.10 -0.69 0.00 0.00 174.62 173.32 3a6b s GLN 6 N 1.07 2.89 -0.07 4.92 -0.21 -1.26 -0.96 119.66 126.03 3a6b s GLN 6 Ca 0.01 -0.53 -0.12 0.00 0.02 0.00 0.00 55.36 54.73 3a6b s GLN 6 Cb -0.15 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.15 3a6b s GLN 6 CO -0.01 0.65 0.30 -1.54 -2.12 0.00 0.00 175.29 172.57 3a6b s SER 7 N -1.38 -0.24 0.86 5.90 1.04 -0.70 -4.36 113.70 114.81 3a6b s SER 7 Ca 0.18 0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.83 3a6b s SER 7 Cb -0.12 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.59 3a6b s SER 7 CO 0.08 -0.27 1.19 -2.16 0.98 0.00 0.00 173.24 173.07 3a6b s PRO 8 N -0.57 1.57 0.28 4.02 0.04 -1.26 -1.12 135.00 137.96 3a6b s PRO 8 Ca -0.07 0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.08 3a6b s PRO 8 Cb -0.04 -1.91 0.41 0.00 0.04 0.00 0.00 34.50 33.01 3a6b s PRO 8 CO 0.02 -1.86 1.69 0.00 0.04 0.00 0.00 177.00 176.89 3a6b h ALA 9 N -1.25 1.07 -3.38 8.56 0.00 -1.84 -3.42 119.26 119.00 3a6b h ALA 9 Ca -0.47 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 53.84 3a6b h ALA 9 Cb 1.32 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 3a6b h ALA 9 CO 0.61 0.59 -0.66 0.95 0.00 0.00 0.00 179.25 180.74 3a6b s THR 10 N -4.22 0.03 -0.03 0.00 -4.23 -1.26 -0.77 115.64 105.16 3a6b s THR 10 Ca -0.05 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 3a6b s THR 10 Cb 0.13 -0.15 0.03 0.00 1.34 0.00 0.00 72.50 73.85 3a6b s THR 10 CO 0.78 -0.15 0.02 -0.22 -0.54 0.00 0.00 174.62 174.51 3a6b s LEU 11 N -0.46 0.79 -0.13 4.79 0.20 0.89 -4.91 118.68 119.85 3a6b s LEU 11 Ca -0.05 0.01 -0.05 0.00 0.69 0.00 0.00 54.13 54.73 3a6b s LEU 11 Cb -0.03 -0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.50 3a6b s LEU 11 CO -0.00 -0.16 0.03 -0.44 -0.29 0.00 0.00 176.35 175.49 3a6b s SER 12 N 1.46 5.43 0.03 3.68 0.01 -1.26 -0.60 113.70 122.45 3a6b s SER 12 Ca -0.04 0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 3a6b s SER 12 Cb -0.13 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.35 3a6b s SER 12 CO -0.03 0.28 0.25 0.54 0.41 0.00 0.00 173.24 174.69 3a6b s VAL 13 N -0.25 0.09 -0.14 3.43 0.11 0.15 -4.76 120.40 119.03 3a6b s VAL 13 Ca 0.07 -0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 58.23 3a6b s VAL 13 Cb -0.12 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 3a6b s VAL 13 CO 0.02 -0.41 0.30 -0.89 -3.33 0.00 0.00 175.10 170.79 3a6b s THR 14 N -2.39 5.28 0.18 5.04 2.01 -1.26 -0.57 115.64 123.93 3a6b s THR 14 Ca -0.06 0.58 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 3a6b s THR 14 Cb -0.02 -3.63 -0.16 0.00 0.01 0.00 0.00 72.50 68.70 3a6b s THR 14 CO -0.03 0.42 0.93 -2.65 -0.69 0.00 0.00 174.62 172.60 3a6b n PRO 15 N 3.29 0.71 0.00 4.92 -0.02 -1.26 -1.59 135.00 141.05 3a6b n PRO 15 Ca -0.12 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3a6b n PRO 15 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3a6b n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a6b n GLY 16 N 1.77 2.06 3.90 -1.23 0.00 0.21 -4.94 105.19 106.97 3a6b n GLY 16 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3a6b n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a6b s ASN 17 N 0.25 6.08 0.17 1.61 0.01 -0.62 -4.34 114.94 118.11 3a6b s ASN 17 Ca 0.00 0.96 0.05 0.00 -0.71 0.00 0.00 52.86 53.16 3a6b s ASN 17 Cb 0.00 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3a6b s ASN 17 CO 0.00 -0.75 0.15 -0.44 -1.51 0.00 0.00 177.10 174.55 3a6b s SER 18 N -4.17 5.59 0.11 -1.22 0.01 -1.26 -0.34 113.70 112.42 3a6b s SER 18 Ca 0.50 -0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.62 3a6b s SER 18 Cb -0.10 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 3a6b s SER 18 CO 0.47 0.06 0.09 0.68 0.41 0.00 0.00 173.24 174.94 3a6b s VAL 19 N -1.77 0.14 -0.02 3.43 -7.23 -0.83 -4.94 120.40 109.17 3a6b s VAL 19 Ca 0.31 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3a6b s VAL 19 Cb -0.10 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.10 3a6b s VAL 19 CO 0.24 -0.62 -0.01 -0.44 -0.31 0.00 0.00 175.10 173.96 3a6b s SER 20 N -2.97 0.38 -0.06 4.85 0.01 -1.26 -0.94 113.70 113.71 3a6b s SER 20 Ca 0.15 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.40 3a6b s SER 20 Cb 0.07 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 3a6b s SER 20 CO -0.04 -0.05 -0.09 -0.76 0.41 0.00 0.00 173.24 172.71 3a6b s LEU 21 N 0.64 3.03 -0.01 2.44 1.43 0.22 -4.87 118.68 121.56 3a6b s LEU 21 Ca -0.06 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3a6b s LEU 21 Cb -0.09 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3a6b s LEU 21 CO -0.01 0.36 0.08 -0.55 0.23 0.00 0.00 176.35 176.46 3a6b s SER 22 N -0.80 5.69 -0.10 2.29 0.15 -0.28 -0.59 113.70 120.07 3a6b s SER 22 Ca 0.12 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 3a6b s SER 22 Cb -0.11 -1.64 0.05 0.00 -1.71 0.00 0.00 66.02 62.62 3a6b s SER 22 CO 0.01 0.27 0.19 0.00 1.20 0.00 0.00 173.24 174.92 3a6b s ARG 24 N 2.33 2.43 0.03 0.00 1.70 -0.14 -1.01 118.95 124.30 3a6b s ARG 24 Ca 0.03 -0.87 -0.09 0.00 -0.47 0.00 0.00 55.73 54.33 3a6b s ARG 24 Cb -0.12 -2.08 -0.05 0.00 -0.57 0.00 0.00 34.95 32.13 3a6b s ARG 24 CO -0.07 0.37 0.33 0.00 -1.08 0.00 0.00 175.30 174.85 3a6b s ALA 25 N -0.16 3.79 0.57 7.88 0.00 0.49 -0.96 121.76 133.37 3a6b s ALA 25 Ca -0.03 -0.47 0.38 0.00 0.00 0.00 0.00 51.96 51.84 3a6b s ALA 25 Cb -0.13 -2.17 2.09 0.00 0.00 0.00 0.00 23.12 22.90 3a6b s ALA 25 CO 0.03 0.60 2.28 0.66 0.00 0.00 0.00 175.76 179.33 3a6b h SER 26 N 3.99 0.00 -5.12 0.00 4.64 -1.45 -3.44 113.55 112.18 3a6b h SER 26 Ca -0.50 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 3a6b h SER 26 Cb 1.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 3a6b h SER 26 CO 0.65 0.01 -0.10 0.00 -0.87 0.00 0.00 176.83 176.52 3a6b s GLN 27 N -4.23 1.17 0.23 4.77 -2.07 -1.26 -5.00 119.66 113.26 3a6b s GLN 27 Ca -0.04 -0.86 -0.32 0.00 -1.82 0.00 0.00 55.36 52.32 3a6b s GLN 27 Cb 0.13 0.46 -0.13 0.00 -1.09 0.00 0.00 33.01 32.38 3a6b s GLN 27 CO 0.48 -0.46 1.46 0.45 -1.32 0.00 0.00 175.29 175.89 3a6b n SER 28 N -0.25 2.93 -0.27 12.60 2.88 -1.26 -4.71 113.62 125.54 3a6b n SER 28 Ca -0.13 1.13 0.06 0.00 -1.33 0.00 0.00 58.87 58.60 3a6b n SER 28 Cb 0.63 -1.44 0.08 0.00 -0.75 0.00 0.00 64.21 62.73 3a6b n SER 28 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3a6b n ILE 29 N 2.24 1.04 0.00 2.46 -5.35 -0.32 -4.99 119.36 114.44 3a6b n ILE 29 Ca 0.12 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 3a6b n ILE 29 Cb 0.31 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3a6b n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a6b n GLY 30 N -0.79 2.87 0.04 3.28 0.00 -1.25 -1.54 105.19 107.80 3a6b n GLY 30 Ca 0.09 0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.44 3a6b n GLY 30 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a6b n ASN 31 N 9.86 1.95 -3.00 1.61 6.94 -1.26 -0.21 115.26 131.14 3a6b n ASN 31 Ca 0.00 -2.35 -0.33 0.00 -0.02 0.00 0.00 54.58 51.89 3a6b n ASN 31 Cb 0.00 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 3a6b n ASN 31 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3a6b n ASP 32 N -0.80 7.65 -4.00 0.53 8.00 -0.59 -2.65 116.55 124.70 3a6b n ASP 32 Ca 0.06 -2.76 -0.27 0.00 0.71 0.00 0.00 54.79 52.53 3a6b n ASP 32 Cb 0.43 -1.45 -0.17 0.00 -0.02 0.00 0.00 41.12 39.91 3a6b n ASP 32 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3a6b s LEU 33 N -0.68 1.53 0.18 0.64 1.98 -1.26 -1.73 118.68 119.34 3a6b s LEU 33 Ca 0.64 -0.35 0.11 0.00 -2.89 0.00 0.00 54.13 51.64 3a6b s LEU 33 Cb 0.23 -0.93 -0.04 0.00 0.66 0.00 0.00 46.19 46.10 3a6b s LEU 33 CO -0.07 -0.03 -0.22 -1.00 -1.89 0.00 0.00 176.35 173.14 3a6b s HIS 34 N 1.15 2.37 -0.09 5.38 3.76 0.57 0.52 115.29 128.95 3a6b s HIS 34 Ca -0.05 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 3a6b s HIS 34 Cb -0.14 -1.19 -0.01 0.00 1.11 0.00 0.00 32.58 32.35 3a6b s HIS 34 CO -0.03 0.48 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.58 3a6b s TRP 35 N -1.59 2.65 0.10 1.40 0.52 -0.21 -0.62 118.94 121.19 3a6b s TRP 35 Ca 0.21 -0.61 0.09 0.00 0.02 0.00 0.00 56.10 55.80 3a6b s TRP 35 Cb -0.08 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 3a6b s TRP 35 CO 0.10 -0.15 -0.23 0.71 0.02 0.00 0.00 176.95 177.40 3a6b s TYR 36 N -0.03 2.02 -0.04 -1.98 1.51 0.84 -0.39 117.35 119.27 3a6b s TYR 36 Ca -0.05 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 3a6b s TYR 36 Cb -0.14 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 3a6b s TYR 36 CO 0.04 0.22 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.42 3a6b s GLN 37 N -1.76 2.48 -0.06 -0.62 0.74 -0.21 -0.67 119.66 119.55 3a6b s GLN 37 Ca 0.10 -0.71 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 3a6b s GLN 37 Cb -0.10 -2.37 0.04 0.00 1.10 0.00 0.00 33.01 31.68 3a6b s GLN 37 CO 0.04 0.62 0.13 -1.14 -0.55 0.00 0.00 175.29 174.39 3a6b s GLN 38 N -0.79 0.06 0.20 1.67 0.74 0.70 -0.18 119.66 122.05 3a6b s GLN 38 Ca 0.12 0.40 0.07 0.00 0.05 0.00 0.00 55.36 56.00 3a6b s GLN 38 Cb -0.11 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.74 3a6b s GLN 38 CO 0.01 -0.21 0.05 0.15 -0.55 0.00 0.00 175.29 174.74 3a6b s LYS 39 N 1.47 2.54 0.22 1.67 1.02 -1.26 -0.95 119.74 124.45 3a6b s LYS 39 Ca -0.06 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 54.52 3a6b s LYS 39 Cb -0.12 -2.40 -0.15 0.00 -0.52 0.00 0.00 37.83 34.64 3a6b s LYS 39 CO -0.05 0.44 1.00 0.43 -0.92 0.00 0.00 175.35 176.25 3a6b n SER 40 N -0.41 0.93 -2.65 2.83 7.64 -1.26 -1.61 113.62 119.10 3a6b n SER 40 Ca -0.09 1.16 -0.21 0.00 1.01 0.00 0.00 58.87 60.74 3a6b n SER 40 Cb 0.56 -1.20 0.01 0.00 -1.01 0.00 0.00 64.21 62.56 3a6b n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3a6b n HIS 41 N 0.73 -1.39 -3.88 1.43 8.25 -1.26 -4.98 115.22 114.11 3a6b n HIS 41 Ca 0.13 0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.68 3a6b n HIS 41 Cb 0.28 -4.04 -0.09 0.00 1.12 0.00 0.00 29.99 27.26 3a6b n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a6b s GLU 42 N -5.30 0.61 0.55 -0.41 2.02 -0.63 -5.16 118.70 110.38 3a6b s GLU 42 Ca 0.12 -0.63 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 3a6b s GLU 42 Cb -0.05 0.25 -0.06 0.00 0.10 0.00 0.00 34.13 34.37 3a6b s GLU 42 CO 0.14 -0.16 1.03 -1.54 0.02 0.00 0.00 175.26 174.76 3a6b s SER 43 N -1.95 6.12 0.67 -0.19 1.04 -1.26 -4.50 113.70 113.63 3a6b s SER 43 Ca -0.07 1.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.96 3a6b s SER 43 Cb -0.02 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3a6b s SER 43 CO -0.03 -0.93 1.28 -2.84 0.98 0.00 0.00 173.24 171.69 3a6b s PRO 44 N -3.91 2.40 -0.12 4.02 0.02 -1.26 -4.70 135.00 131.44 3a6b s PRO 44 Ca 0.63 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.66 3a6b s PRO 44 Cb -0.14 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.56 3a6b s PRO 44 CO 0.32 -1.70 -0.13 0.50 -0.33 0.00 0.00 177.00 175.66 3a6b s ARG 45 N -3.52 2.06 0.03 5.54 3.52 0.75 -4.94 118.95 122.38 3a6b s ARG 45 Ca 0.81 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 3a6b s ARG 45 Cb -0.36 -1.88 -0.06 0.00 -1.56 0.00 0.00 34.95 31.09 3a6b s ARG 45 CO 0.41 -0.18 1.48 -1.17 -0.81 0.00 0.00 175.30 175.03 3a6b s LEU 46 N 1.36 4.33 -0.19 -0.88 2.96 -1.26 -1.04 118.68 123.96 3a6b s LEU 46 Ca 0.01 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.13 3a6b s LEU 46 Cb -0.13 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3a6b s LEU 46 CO -0.07 -0.77 -0.20 0.18 -1.32 0.00 0.00 176.35 174.18 3a6b n LEU 47 N 5.38 2.47 -3.87 -0.68 4.77 0.47 -4.96 117.00 120.59 3a6b n LEU 47 Ca 0.14 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3a6b n LEU 47 Cb 0.43 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 3a6b n LEU 47 CO 0.60 0.69 -0.33 -0.63 -1.33 0.00 0.00 177.39 176.39 3a6b s ILE 48 N -2.37 0.01 0.14 -0.08 -1.09 -1.18 -4.07 121.20 112.56 3a6b s ILE 48 Ca -0.26 -0.05 0.09 0.00 -2.23 0.00 0.00 60.65 58.20 3a6b s ILE 48 Cb 0.08 -0.06 -0.04 0.00 -1.58 0.00 0.00 42.46 40.85 3a6b s ILE 48 CO 0.41 -0.03 -0.21 -1.59 -1.23 0.00 0.00 174.94 172.29 3a6b s LYS 49 N -0.07 1.26 -1.29 2.79 -2.85 -0.73 -1.05 119.74 117.80 3a6b s LYS 49 Ca -0.01 -1.32 -0.09 0.00 -1.00 0.00 0.00 55.97 53.56 3a6b s LYS 49 Cb -0.01 -1.49 -0.00 0.00 -2.06 0.00 0.00 37.83 34.27 3a6b s LYS 49 CO 0.00 0.33 0.60 0.66 0.10 0.00 0.00 175.35 177.04 3a6b n TYR 50 N 0.67 -1.77 0.00 1.78 4.01 -1.16 -0.90 117.16 119.79 3a6b n TYR 50 Ca -0.16 0.63 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 3a6b n TYR 50 Cb 0.55 -3.70 0.00 0.00 -0.31 0.00 0.00 39.34 35.88 3a6b n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a6b n ALA 51 N -4.32 0.00 -1.14 -0.72 0.00 0.19 -3.83 120.51 110.68 3a6b n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3a6b n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3a6b n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a6b n SER 52 N 1.05 0.00 -4.71 0.00 3.41 -1.20 -2.30 113.62 109.88 3a6b n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 3a6b n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3a6b n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3a6b s GLN 53 N 0.00 4.51 0.63 4.33 -0.21 -0.08 -4.61 119.66 124.23 3a6b s GLN 53 Ca 0.00 1.55 -0.15 0.00 0.02 0.00 0.00 55.36 56.78 3a6b s GLN 53 Cb 0.00 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.57 3a6b s GLN 53 CO 0.00 -0.13 1.08 -1.12 -2.12 0.00 0.00 175.29 173.00 3a6b s SER 54 N 1.03 5.47 -0.09 5.90 0.01 -1.26 -1.78 113.70 122.99 3a6b s SER 54 Ca 0.54 1.88 0.05 0.00 1.31 0.00 0.00 55.95 59.73 3a6b s SER 54 Cb -0.24 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 3a6b s SER 54 CO 0.28 -1.38 -0.24 -0.63 0.41 0.00 0.00 173.24 171.68 3a6b s ILE 55 N -2.44 2.05 0.27 1.44 -1.09 -1.26 -4.84 121.20 115.34 3a6b s ILE 55 Ca 0.65 -1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 3a6b s ILE 55 Cb -0.18 -1.76 -0.11 0.00 -1.58 0.00 0.00 42.46 38.83 3a6b s ILE 55 CO 0.40 0.56 1.55 -0.55 -1.23 0.00 0.00 174.94 175.67 3a6b s SER 56 N 0.21 6.46 0.00 3.58 0.15 -1.26 -2.47 113.70 120.38 3a6b s SER 56 Ca -0.15 2.85 0.00 0.00 0.70 0.00 0.00 55.95 59.35 3a6b s SER 56 Cb -0.17 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 3a6b s SER 56 CO 0.08 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.28 3a6b n GLY 57 N 2.24 0.76 3.82 9.45 0.00 -1.26 -5.06 105.19 115.14 3a6b n GLY 57 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3a6b n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a6b s ILE 58 N -2.76 5.10 0.41 -0.61 -1.09 -1.03 -5.06 121.20 116.16 3a6b s ILE 58 Ca 0.00 -0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.15 3a6b s ILE 58 Cb 0.00 -3.23 -0.10 0.00 -1.58 0.00 0.00 42.46 37.54 3a6b s ILE 58 CO 0.00 0.56 1.17 -2.65 -1.23 0.00 0.00 174.94 172.78 3a6b n PRO 59 N 1.82 1.70 0.30 2.79 -0.02 -1.26 -4.86 135.00 135.47 3a6b n PRO 59 Ca -0.18 0.61 0.17 0.00 -2.02 0.00 0.00 63.50 62.08 3a6b n PRO 59 Cb 0.54 -2.23 0.92 0.00 -0.02 0.00 0.00 33.50 32.70 3a6b n PRO 59 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3a6b h SER 60 N 1.90 0.00 0.30 2.55 0.02 -1.97 -2.83 113.55 113.52 3a6b h SER 60 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3a6b h SER 60 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3a6b h SER 60 CO 0.59 0.04 0.00 -2.11 -1.14 0.00 0.00 176.83 174.21 3a6b n ARG 61 N -3.40 0.05 -3.39 3.45 1.85 -1.26 -4.59 116.66 109.37 3a6b n ARG 61 Ca -0.02 0.42 -0.37 0.00 -1.00 0.00 0.00 57.85 56.87 3a6b n ARG 61 Cb 0.17 -1.62 -0.06 0.00 -1.05 0.00 0.00 32.46 29.89 3a6b n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3a6b s PHE 62 N -3.13 3.50 0.03 2.89 0.08 -1.07 -1.12 117.98 119.17 3a6b s PHE 62 Ca 0.03 0.80 -0.05 0.00 0.12 0.00 0.00 56.93 57.83 3a6b s PHE 62 Cb 0.06 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3a6b s PHE 62 CO 0.19 0.21 0.09 -1.54 -0.10 0.00 0.00 175.22 174.07 3a6b s SER 63 N 0.51 0.16 0.14 1.36 1.04 -0.58 -5.01 113.70 111.33 3a6b s SER 63 Ca 0.23 -0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.25 3a6b s SER 63 Cb -0.14 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3a6b s SER 63 CO 0.08 -0.47 -0.17 -0.83 0.98 0.00 0.00 173.24 172.83 3a6b s GLY 64 N -1.96 1.28 0.09 7.32 0.00 -1.26 -0.78 107.32 112.01 3a6b s GLY 64 Ca -0.07 -1.40 -0.14 0.00 0.00 0.00 0.00 44.72 43.11 3a6b s GLY 64 CO -0.03 -1.45 0.33 -0.45 0.00 0.00 0.00 173.10 171.50 3a6b s SER 65 N -2.51 -0.12 0.00 1.64 0.15 -0.51 -4.24 113.70 108.11 3a6b s SER 65 Ca 0.12 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.42 3a6b s SER 65 Cb -0.06 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3a6b s SER 65 CO 0.05 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3a6b n GLY 66 N 0.04 2.69 3.53 9.45 0.00 -1.26 -1.16 105.19 118.48 3a6b n GLY 66 Ca -0.16 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 3a6b n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a6b s SER 67 N 0.00 -0.37 0.38 1.61 1.04 -1.18 -4.85 113.70 110.32 3a6b s SER 67 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3a6b s SER 67 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3a6b s SER 67 CO 0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3a6b n GLY 68 N 0.08 1.93 0.00 7.32 0.00 0.71 -3.63 105.19 111.60 3a6b n GLY 68 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.76 3a6b n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a6b n THR 69 N 0.00 0.00 -3.94 2.61 -2.24 -1.26 -1.18 114.28 108.27 3a6b n THR 69 Ca 0.00 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 3a6b n THR 69 Cb 0.00 0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 3a6b n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a6b s ASP 70 N -2.12 4.14 0.16 3.42 -0.00 -1.24 -0.38 116.67 120.65 3a6b s ASP 70 Ca -0.01 -0.45 0.07 0.00 -0.00 0.00 0.00 52.55 52.17 3a6b s ASP 70 Cb 0.01 -1.70 -0.04 0.00 -0.00 0.00 0.00 42.92 41.19 3a6b s ASP 70 CO 0.09 -0.02 -0.15 -0.36 -0.00 0.00 0.00 175.17 174.72 3a6b s PHE 71 N 1.45 1.61 -0.02 4.23 0.40 -0.18 -3.13 117.98 122.34 3a6b s PHE 71 Ca 0.05 -0.55 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 3a6b s PHE 71 Cb -0.14 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.60 3a6b s PHE 71 CO -0.05 0.26 0.06 0.99 0.70 0.00 0.00 175.22 177.19 3a6b s THR 72 N -2.49 0.01 -0.18 0.64 2.01 -0.31 -1.57 115.64 113.76 3a6b s THR 72 Ca 0.16 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 3a6b s THR 72 Cb -0.03 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 3a6b s THR 72 CO 0.05 -0.06 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.60 3a6b s LEU 73 N -0.17 2.70 -0.02 4.42 2.96 0.24 -1.43 118.68 127.39 3a6b s LEU 73 Ca -0.02 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3a6b s LEU 73 Cb -0.02 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3a6b s LEU 73 CO 0.00 0.05 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.50 3a6b s SER 74 N 1.05 4.05 -0.23 3.68 0.01 0.04 0.69 113.70 122.99 3a6b s SER 74 Ca -0.00 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.03 3a6b s SER 74 Cb -0.15 -0.82 0.05 0.00 0.21 0.00 0.00 66.02 65.32 3a6b s SER 74 CO -0.02 0.32 -0.10 -0.63 0.41 0.00 0.00 173.24 173.22 3a6b s ILE 75 N -0.81 1.85 -0.52 1.44 1.01 -0.11 -1.53 121.20 122.53 3a6b s ILE 75 Ca 0.13 -1.32 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 3a6b s ILE 75 Cb -0.11 -1.98 0.04 0.00 0.01 0.00 0.00 42.46 40.42 3a6b s ILE 75 CO 0.02 0.03 0.90 0.21 0.00 0.00 0.00 174.94 176.11 3a6b s ASN 76 N 1.27 6.37 -0.24 3.58 3.04 -0.27 -1.97 114.94 126.72 3a6b s ASN 76 Ca -0.05 -0.26 -0.07 0.00 0.04 0.00 0.00 52.86 52.52 3a6b s ASN 76 Cb -0.18 -2.42 0.01 0.00 -1.54 0.00 0.00 41.25 37.11 3a6b s ASN 76 CO -0.07 -1.14 0.31 -0.24 -3.04 0.00 0.00 177.10 172.93 3a6b n SER 77 N 7.24 -4.99 -4.71 -4.21 2.88 -1.24 -4.78 113.62 103.82 3a6b n SER 77 Ca 0.02 0.23 -0.43 0.00 -1.33 0.00 0.00 58.87 57.37 3a6b n SER 77 Cb 0.48 -3.21 -0.01 0.00 -0.75 0.00 0.00 64.21 60.71 3a6b n SER 77 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3a6b n VAL 78 N -0.52 1.64 -4.27 2.46 0.31 0.54 -4.60 118.33 113.88 3a6b n VAL 78 Ca 0.05 -0.41 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 3a6b n VAL 78 Cb 0.27 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.49 3a6b n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3a6b s GLU 79 N -1.40 2.35 0.40 5.55 0.41 -1.26 -0.62 118.70 124.14 3a6b s GLU 79 Ca 0.59 -1.39 0.09 0.00 -0.41 0.00 0.00 54.97 53.84 3a6b s GLU 79 Cb -0.57 -2.19 0.88 0.00 -1.78 0.00 0.00 34.13 30.46 3a6b s GLU 79 CO 0.58 0.36 2.01 1.79 -0.49 0.00 0.00 175.26 179.51 3a6b h THR 80 N 1.84 1.03 0.00 3.63 1.35 -1.99 0.03 112.91 118.80 3a6b h THR 80 Ca -0.45 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3a6b h THR 80 Cb 1.25 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3a6b h THR 80 CO 0.61 0.10 0.00 -1.84 -0.25 0.00 0.00 175.52 174.14 3a6b n GLU 81 N -4.47 0.11 0.02 4.72 0.28 -1.26 -2.13 120.64 117.90 3a6b n GLU 81 Ca 0.07 0.23 0.12 0.00 -0.16 0.00 0.00 57.16 57.42 3a6b n GLU 81 Cb 0.19 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.80 3a6b n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3a6b n ASP 82 N -1.34 0.55 -4.73 -1.84 8.00 -0.00 -4.89 116.55 112.29 3a6b n ASP 82 Ca 0.04 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 3a6b n ASP 82 Cb 0.09 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 3a6b n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a6b s PHE 83 N -3.07 3.19 -5.00 1.24 0.08 -0.91 -4.83 117.98 108.68 3a6b s PHE 83 Ca 0.09 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.16 3a6b s PHE 83 Cb 0.16 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 3a6b s PHE 83 CO 0.70 -2.38 0.00 0.41 -0.10 0.00 0.00 175.22 173.85 3a6b n GLY 84 N 2.94 -0.35 3.90 4.36 0.00 -0.82 -4.93 105.19 110.29 3a6b n GLY 84 Ca 0.09 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 3a6b n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a6b s MET 85 N -2.00 3.41 -0.08 1.61 -1.94 -0.13 -0.67 119.30 119.50 3a6b s MET 85 Ca 0.00 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.63 3a6b s MET 85 Cb 0.00 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.79 3a6b s MET 85 CO 0.00 0.66 -0.12 0.71 -0.01 0.00 0.00 175.02 176.25 3a6b s TYR 86 N -1.36 1.57 -0.01 -0.03 1.51 -0.22 -0.22 117.35 118.59 3a6b s TYR 86 Ca 0.29 -0.64 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 3a6b s TYR 86 Cb -0.13 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 3a6b s TYR 86 CO 0.21 -0.35 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.04 3a6b s PHE 87 N 0.87 1.79 0.15 2.71 0.08 0.15 -0.96 117.98 122.77 3a6b s PHE 87 Ca -0.10 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.64 3a6b s PHE 87 Cb -0.15 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 3a6b s PHE 87 CO 0.01 -0.03 0.20 0.00 -0.10 0.00 0.00 175.22 175.31 3a6b s GLN 89 N -3.12 0.16 0.00 0.00 0.74 0.21 -0.59 119.66 117.06 3a6b s GLN 89 Ca 0.33 0.31 0.01 0.00 0.05 0.00 0.00 55.36 56.06 3a6b s GLN 89 Cb -0.11 -0.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 3a6b s GLN 89 CO 0.26 -0.09 0.04 1.14 -0.55 0.00 0.00 175.29 176.09 3a6b s GLN 90 N 0.58 2.90 -0.04 1.67 1.03 -0.49 -0.32 119.66 124.99 3a6b s GLN 90 Ca -0.04 -0.57 0.06 0.00 0.04 0.00 0.00 55.36 54.86 3a6b s GLN 90 Cb -0.06 -2.75 0.10 0.00 0.03 0.00 0.00 33.01 30.34 3a6b s GLN 90 CO -0.03 0.63 0.96 -1.13 -2.54 0.00 0.00 175.29 173.18 3a6b n SER 91 N 1.27 1.32 -0.22 12.60 3.41 -0.71 -3.24 113.62 128.05 3a6b n SER 91 Ca -0.14 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.20 3a6b n SER 91 Cb 0.53 -0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3a6b n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3a6b h ASN 92 N 0.00 1.05 -4.81 4.04 -1.24 -1.85 -3.45 115.58 109.33 3a6b h ASN 92 Ca 0.00 -0.28 -0.22 0.00 0.71 0.00 0.00 56.30 56.50 3a6b h ASN 92 Cb 0.96 -0.28 -0.22 0.00 0.73 0.00 0.00 38.32 39.51 3a6b h ASN 92 CO 0.00 1.08 -0.72 -0.94 -1.29 0.00 0.00 177.43 175.56 3a6b s SER 93 N -6.52 0.50 0.04 1.15 1.04 -1.26 -5.13 113.70 103.52 3a6b s SER 93 Ca -0.12 -0.49 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 3a6b s SER 93 Cb 0.14 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.26 3a6b s SER 93 CO 0.85 -0.24 0.61 0.86 0.98 0.00 0.00 173.24 176.31 3a6b s TRP 94 N -1.33 3.76 0.31 5.02 -0.11 -1.26 -3.43 118.94 121.90 3a6b s TRP 94 Ca -0.12 1.29 -0.28 0.00 1.22 0.00 0.00 56.10 58.21 3a6b s TRP 94 Cb -0.09 -2.59 -0.09 0.00 -1.50 0.00 0.00 33.47 29.19 3a6b s TRP 94 CO -0.00 0.45 1.05 -1.25 -4.62 0.00 0.00 176.95 172.58 3a6b s PRO 95 N -0.63 4.53 0.43 5.86 0.04 -1.26 -5.02 135.00 138.95 3a6b s PRO 95 Ca 0.31 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 3a6b s PRO 95 Cb -0.19 -2.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 3a6b s PRO 95 CO 0.19 0.16 1.33 0.71 0.04 0.00 0.00 177.00 179.44 3a6b s TYR 96 N -1.35 2.71 0.09 0.56 2.02 -1.22 -4.74 117.35 115.41 3a6b s TYR 96 Ca 0.48 1.38 0.04 0.00 -0.37 0.00 0.00 57.07 58.60 3a6b s TYR 96 Cb -0.27 -3.73 -0.03 0.00 -0.40 0.00 0.00 41.96 37.53 3a6b s TYR 96 CO 0.34 -2.31 -0.12 0.95 -1.57 0.00 0.00 175.55 172.84 3a6b s THR 97 N -1.26 1.02 0.13 -0.71 -4.23 -1.20 -4.99 115.64 104.40 3a6b s THR 97 Ca 0.59 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.63 3a6b s THR 97 Cb -0.39 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 3a6b s THR 97 CO 0.50 -0.44 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.75 3a6b s PHE 98 N -2.02 2.85 0.86 3.99 0.08 -1.26 -1.40 117.98 121.08 3a6b s PHE 98 Ca 0.03 -0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 3a6b s PHE 98 Cb -0.05 -1.43 0.11 0.00 -0.57 0.00 0.00 43.02 41.08 3a6b s PHE 98 CO 0.01 0.48 1.19 0.20 -0.10 0.00 0.00 175.22 177.00 3a6b s GLY 99 N -2.58 1.61 0.00 4.36 0.00 0.24 -4.51 107.32 106.43 3a6b s GLY 99 Ca 0.25 -0.70 0.21 0.00 0.00 0.00 0.00 44.72 44.48 3a6b s GLY 99 CO 0.17 -0.15 1.67 0.61 0.00 0.00 0.00 173.10 175.40 3a6b n GLY 100 N -3.07 -1.21 0.00 0.20 0.00 -1.25 -4.71 105.19 95.15 3a6b n GLY 100 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3a6b n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6b n GLY 101 N 0.66 0.12 3.05 -0.02 0.00 -1.26 -5.03 105.19 102.71 3a6b n GLY 101 Ca 0.05 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 3a6b n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a6b s THR 102 N -2.76 1.40 -0.20 2.61 2.01 -0.14 -4.70 115.64 113.87 3a6b s THR 102 Ca 0.00 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 3a6b s THR 102 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3a6b s THR 102 CO 0.00 0.42 0.46 -0.75 -0.69 0.00 0.00 174.62 174.05 3a6b s LYS 103 N 0.87 4.18 -0.26 4.92 2.20 0.05 -1.06 119.74 130.64 3a6b s LYS 103 Ca -0.10 0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.73 3a6b s LYS 103 Cb -0.15 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 3a6b s LYS 103 CO 0.01 -0.09 0.12 -1.17 -0.36 0.00 0.00 175.35 173.85 3a6b s LEU 104 N 1.47 3.68 0.21 5.43 2.96 0.15 -0.08 118.68 132.50 3a6b s LEU 104 Ca 0.21 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 3a6b s LEU 104 Cb -0.15 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3a6b s LEU 104 CO 0.09 -0.05 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.31 3a6b s GLU 105 N 1.67 1.36 0.25 1.98 2.02 0.23 -1.94 118.70 124.26 3a6b s GLU 105 Ca 0.06 -1.60 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 3a6b s GLU 105 Cb -0.16 -1.19 -0.09 0.00 0.10 0.00 0.00 34.13 32.79 3a6b s GLU 105 CO 0.06 0.20 1.08 -1.50 0.02 0.00 0.00 175.26 175.12 3a6b s ILE 106 N -2.88 3.64 -2.54 -1.63 2.07 -1.26 -0.67 121.20 117.93 3a6b s ILE 106 Ca 0.23 1.61 0.20 0.00 -1.41 0.00 0.00 60.65 61.28 3a6b s ILE 106 Cb -0.01 -4.02 0.16 0.00 0.13 0.00 0.00 42.46 38.71 3a6b s ILE 106 CO 0.08 0.36 1.14 1.17 -1.91 0.00 0.00 174.94 175.78