#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a67 s ILE 2 N 0.00 4.28 -0.19 0.53 1.01 -1.26 -5.00 121.20 120.57 3a67 s ILE 2 Ca 0.00 1.61 -0.10 0.00 0.00 0.00 0.00 60.65 62.16 3a67 s ILE 2 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 3a67 s ILE 2 CO 0.00 0.00 0.14 -0.69 0.00 0.00 0.00 174.94 174.39 3a67 s VAL 3 N 2.17 5.41 -0.18 2.92 1.01 -1.26 -4.77 120.40 125.71 3a67 s VAL 3 Ca 0.55 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 3a67 s VAL 3 Cb -0.24 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3a67 s VAL 3 CO 0.22 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.98 3a67 s LEU 4 N 0.24 3.12 -0.21 3.92 1.43 -1.26 -0.96 118.68 124.96 3a67 s LEU 4 Ca 0.09 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3a67 s LEU 4 Cb -0.11 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3a67 s LEU 4 CO -0.01 0.09 -0.08 -0.89 0.23 0.00 0.00 176.35 175.68 3a67 s THR 5 N 0.84 3.07 0.00 5.49 2.01 0.00 -3.91 115.64 123.14 3a67 s THR 5 Ca -0.01 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 3a67 s THR 5 Cb -0.15 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3a67 s THR 5 CO 0.02 0.46 0.08 -1.10 -0.69 0.00 0.00 174.62 173.38 3a67 s GLN 6 N 1.36 3.06 -0.06 4.92 -0.21 -1.26 -1.19 119.66 126.27 3a67 s GLN 6 Ca 0.04 -0.50 -0.20 0.00 0.02 0.00 0.00 55.36 54.72 3a67 s GLN 6 Cb -0.14 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.06 3a67 s GLN 6 CO -0.05 0.64 0.47 -1.54 -2.12 0.00 0.00 175.29 172.69 3a67 s SER 7 N -1.79 -0.41 0.87 5.90 1.04 -0.76 -4.46 113.70 114.10 3a67 s SER 7 Ca 0.23 0.48 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 3a67 s SER 7 Cb -0.12 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.65 3a67 s SER 7 CO 0.15 -0.44 1.16 -2.16 0.98 0.00 0.00 173.24 172.93 3a67 s PRO 8 N -0.94 1.43 0.24 4.02 0.04 -1.26 -1.14 135.00 137.39 3a67 s PRO 8 Ca -0.10 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.15 3a67 s PRO 8 Cb -0.03 -1.88 0.29 0.00 0.04 0.00 0.00 34.50 32.91 3a67 s PRO 8 CO 0.05 -1.98 1.62 0.00 0.04 0.00 0.00 177.00 176.74 3a67 h ALA 9 N -1.34 0.93 -3.33 8.56 0.00 -1.83 -3.41 119.26 118.83 3a67 h ALA 9 Ca -0.49 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 53.76 3a67 h ALA 9 Cb 1.33 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.78 3a67 h ALA 9 CO 0.63 0.63 -0.72 0.95 0.00 0.00 0.00 179.25 180.74 3a67 s THR 10 N -4.21 0.23 -0.15 0.00 -4.23 -1.26 -0.86 115.64 105.15 3a67 s THR 10 Ca -0.06 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 3a67 s THR 10 Cb 0.13 -0.29 0.07 0.00 1.34 0.00 0.00 72.50 73.75 3a67 s THR 10 CO 0.81 -0.27 0.25 -0.22 -0.54 0.00 0.00 174.62 174.65 3a67 s LEU 11 N -0.95 -0.24 -0.19 4.79 0.20 0.44 -4.90 118.68 117.82 3a67 s LEU 11 Ca -0.08 0.33 -0.10 0.00 0.69 0.00 0.00 54.13 54.96 3a67 s LEU 11 Cb -0.06 0.59 -0.05 0.00 -0.43 0.00 0.00 46.19 46.24 3a67 s LEU 11 CO -0.00 -0.27 0.15 -0.94 -0.29 0.00 0.00 176.35 175.00 3a67 s SER 12 N 2.39 6.25 0.04 3.68 1.04 -1.26 -1.10 113.70 124.73 3a67 s SER 12 Ca 0.04 0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 3a67 s SER 12 Cb -0.13 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 3a67 s SER 12 CO -0.10 0.18 0.02 0.54 0.98 0.00 0.00 173.24 174.86 3a67 s VAL 13 N 0.33 0.15 -0.10 5.02 0.11 0.78 -4.71 120.40 121.97 3a67 s VAL 13 Ca 0.09 -1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 57.74 3a67 s VAL 13 Cb -0.11 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 3a67 s VAL 13 CO -0.01 -0.69 0.42 -0.89 -3.33 0.00 0.00 175.10 170.61 3a67 s THR 14 N -2.63 5.17 0.20 5.04 2.01 -1.26 -1.23 115.64 122.95 3a67 s THR 14 Ca -0.05 0.84 -0.31 0.00 0.31 0.00 0.00 61.69 62.48 3a67 s THR 14 Cb -0.01 -3.75 -0.15 0.00 0.01 0.00 0.00 72.50 68.59 3a67 s THR 14 CO -0.05 0.40 1.13 -2.65 -0.69 0.00 0.00 174.62 172.76 3a67 n PRO 15 N 3.21 1.25 0.00 4.92 -0.02 -1.26 -1.25 135.00 141.84 3a67 n PRO 15 Ca -0.10 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3a67 n PRO 15 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3a67 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a67 n GLY 16 N 1.84 2.45 3.90 -1.23 0.00 0.29 -4.94 105.19 107.49 3a67 n GLY 16 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3a67 n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a67 s ASN 17 N -0.08 6.33 0.18 1.61 0.01 -0.38 -4.38 114.94 118.22 3a67 s ASN 17 Ca 0.00 1.01 0.05 0.00 -0.71 0.00 0.00 52.86 53.21 3a67 s ASN 17 Cb 0.00 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 3a67 s ASN 17 CO 0.00 -0.55 0.20 -0.44 -1.51 0.00 0.00 177.10 174.80 3a67 s SER 18 N -3.87 5.78 0.10 -1.22 0.01 -1.26 -0.43 113.70 112.81 3a67 s SER 18 Ca 0.49 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 3a67 s SER 18 Cb -0.10 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 3a67 s SER 18 CO 0.42 0.04 0.05 0.68 0.41 0.00 0.00 173.24 174.84 3a67 s VAL 19 N -1.83 0.14 -0.03 3.43 -7.23 -0.78 -4.94 120.40 109.16 3a67 s VAL 19 Ca 0.32 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3a67 s VAL 19 Cb -0.10 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 35.07 3a67 s VAL 19 CO 0.25 -0.66 -0.02 -0.44 -0.31 0.00 0.00 175.10 173.92 3a67 s SER 20 N -2.98 0.61 -0.09 4.85 0.01 -1.26 -1.35 113.70 113.49 3a67 s SER 20 Ca 0.16 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.37 3a67 s SER 20 Cb 0.07 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 3a67 s SER 20 CO -0.03 -0.07 -0.12 -0.76 0.41 0.00 0.00 173.24 172.67 3a67 s LEU 21 N 0.88 2.86 0.01 2.44 1.43 0.56 -4.85 118.68 122.01 3a67 s LEU 21 Ca -0.10 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3a67 s LEU 21 Cb -0.13 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3a67 s LEU 21 CO -0.01 0.28 0.13 -0.55 0.23 0.00 0.00 176.35 176.43 3a67 s SER 22 N -0.32 5.97 -0.12 2.29 0.15 -0.29 -0.93 113.70 120.44 3a67 s SER 22 Ca 0.03 0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 3a67 s SER 22 Cb -0.13 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.47 3a67 s SER 22 CO 0.02 0.25 0.23 0.00 1.20 0.00 0.00 173.24 174.94 3a67 s ARG 24 N 2.38 2.31 -0.00 0.00 1.04 -0.33 -1.12 118.95 123.22 3a67 s ARG 24 Ca 0.02 -0.88 -0.02 0.00 -1.04 0.00 0.00 55.73 53.81 3a67 s ARG 24 Cb -0.12 -2.14 -0.04 0.00 -2.04 0.00 0.00 34.95 30.61 3a67 s ARG 24 CO -0.08 0.52 0.16 0.00 -0.04 0.00 0.00 175.30 175.86 3a67 s ALA 25 N -0.50 3.86 0.09 7.88 0.00 0.49 -0.82 121.76 132.77 3a67 s ALA 25 Ca 0.07 -0.80 0.33 0.00 0.00 0.00 0.00 51.96 51.56 3a67 s ALA 25 Cb -0.11 -1.80 1.55 0.00 0.00 0.00 0.00 23.12 22.76 3a67 s ALA 25 CO 0.00 0.74 1.99 0.66 0.00 0.00 0.00 175.76 179.15 3a67 h SER 26 N 3.85 0.00 -5.14 0.00 4.64 -1.38 -3.44 113.55 112.07 3a67 h SER 26 Ca -0.49 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 3a67 h SER 26 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 3a67 h SER 26 CO 0.67 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 176.45 3a67 s GLN 27 N -3.71 1.09 0.26 4.77 -2.07 -1.26 -4.98 119.66 113.76 3a67 s GLN 27 Ca -0.00 -0.90 -0.31 0.00 -1.82 0.00 0.00 55.36 52.33 3a67 s GLN 27 Cb 0.10 0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 32.33 3a67 s GLN 27 CO 0.44 -0.41 1.60 0.45 -1.32 0.00 0.00 175.29 176.04 3a67 s SER 28 N -2.87 6.43 -0.07 12.60 0.15 -1.26 -4.68 113.70 124.00 3a67 s SER 28 Ca 0.08 2.87 0.10 0.00 0.70 0.00 0.00 55.95 59.69 3a67 s SER 28 Cb 0.02 -2.62 0.15 0.00 -1.71 0.00 0.00 66.02 61.86 3a67 s SER 28 CO -0.08 -0.89 1.03 2.30 1.20 0.00 0.00 173.24 176.80 3a67 n ILE 29 N 2.74 1.11 0.00 6.45 -5.35 0.01 -4.99 119.36 119.33 3a67 n ILE 29 Ca 0.10 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 3a67 n ILE 29 Cb 0.37 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 3a67 n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a67 n GLY 30 N -0.80 3.80 0.40 3.28 0.00 -1.25 -1.36 105.19 109.25 3a67 n GLY 30 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.28 3a67 n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a67 n ASP 31 N 9.41 2.62 -2.91 1.61 5.75 -1.26 -0.87 116.55 130.90 3a67 n ASP 31 Ca 0.00 -2.11 -0.31 0.00 -0.01 0.00 0.00 54.79 52.36 3a67 n ASP 31 Cb 0.00 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 39.85 3a67 n ASP 31 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3a67 n ASN 32 N -0.00 7.55 -3.96 -1.12 3.02 -0.46 -2.31 115.26 117.98 3a67 n ASN 32 Ca 0.08 -2.67 -0.24 0.00 -0.03 0.00 0.00 54.58 51.73 3a67 n ASN 32 Cb 0.40 -1.47 -0.17 0.00 -0.61 0.00 0.00 39.78 37.93 3a67 n ASN 32 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a67 s LEU 33 N -0.35 1.45 0.16 3.41 1.98 -1.26 -1.92 118.68 122.15 3a67 s LEU 33 Ca 0.66 -0.24 0.11 0.00 -2.89 0.00 0.00 54.13 51.77 3a67 s LEU 33 Cb 0.23 -0.71 -0.04 0.00 0.66 0.00 0.00 46.19 46.33 3a67 s LEU 33 CO -0.06 -0.02 -0.25 -1.00 -1.89 0.00 0.00 176.35 173.12 3a67 s HIS 34 N 0.94 2.31 -0.09 5.38 3.76 0.86 0.41 115.29 128.86 3a67 s HIS 34 Ca -0.10 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 3a67 s HIS 34 Cb -0.15 -1.19 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 3a67 s HIS 34 CO 0.01 0.43 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.59 3a67 s TRP 35 N -1.39 2.71 0.09 1.40 0.52 -0.41 -0.47 118.94 121.39 3a67 s TRP 35 Ca 0.18 -0.51 0.09 0.00 0.02 0.00 0.00 56.10 55.87 3a67 s TRP 35 Cb -0.09 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3a67 s TRP 35 CO 0.08 -0.09 -0.22 0.71 0.02 0.00 0.00 176.95 177.45 3a67 s TYR 36 N -0.08 1.93 -0.05 -1.98 1.51 0.93 -0.64 117.35 118.98 3a67 s TYR 36 Ca -0.03 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 3a67 s TYR 36 Cb -0.14 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3a67 s TYR 36 CO 0.04 0.21 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.38 3a67 s GLN 37 N -1.78 2.46 -0.06 -0.62 0.74 -0.11 -0.75 119.66 119.54 3a67 s GLN 37 Ca 0.08 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 3a67 s GLN 37 Cb -0.10 -2.31 0.04 0.00 1.10 0.00 0.00 33.01 31.74 3a67 s GLN 37 CO 0.04 0.58 0.11 -1.14 -0.55 0.00 0.00 175.29 174.33 3a67 s GLN 38 N -0.63 -0.00 0.21 1.67 0.74 0.73 -0.48 119.66 121.90 3a67 s GLN 38 Ca 0.09 0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.97 3a67 s GLN 38 Cb -0.11 -0.32 -0.04 0.00 1.10 0.00 0.00 33.01 33.65 3a67 s GLN 38 CO 0.01 -0.26 0.17 0.15 -0.55 0.00 0.00 175.29 174.81 3a67 s LYS 39 N 1.81 2.93 0.30 1.67 1.02 -1.26 -0.70 119.74 125.52 3a67 s LYS 39 Ca -0.01 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 3a67 s LYS 39 Cb -0.12 -2.62 -0.13 0.00 -0.52 0.00 0.00 37.83 34.44 3a67 s LYS 39 CO -0.05 0.45 1.22 0.43 -0.92 0.00 0.00 175.35 176.48 3a67 n SER 40 N -0.75 2.26 -1.70 2.83 7.64 -1.26 -1.71 113.62 120.92 3a67 n SER 40 Ca -0.08 1.19 -0.17 0.00 1.01 0.00 0.00 58.87 60.82 3a67 n SER 40 Cb 0.56 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 3a67 n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3a67 n HIS 41 N 0.62 -0.51 -3.93 1.43 8.25 -1.26 -4.99 115.22 114.83 3a67 n HIS 41 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 3a67 n HIS 41 Cb 0.34 -3.23 -0.09 0.00 1.12 0.00 0.00 29.99 28.12 3a67 n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a67 s GLU 42 N -4.33 0.57 0.61 -0.41 2.02 -0.70 -5.16 118.70 111.30 3a67 s GLU 42 Ca 0.00 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 3a67 s GLU 42 Cb 0.00 0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.41 3a67 s GLU 42 CO 0.00 -0.14 1.01 -1.54 0.02 0.00 0.00 175.26 174.62 3a67 s SER 43 N -2.06 6.24 0.65 -0.19 1.04 -1.26 -4.47 113.70 113.65 3a67 s SER 43 Ca -0.06 1.39 -0.18 0.00 0.48 0.00 0.00 55.95 57.59 3a67 s SER 43 Cb -0.02 -2.46 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 3a67 s SER 43 CO -0.04 -0.84 1.26 -2.84 0.98 0.00 0.00 173.24 171.76 3a67 s PRO 44 N -5.12 2.58 -0.09 4.02 0.02 -1.26 -4.66 135.00 130.49 3a67 s PRO 44 Ca 0.55 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.55 3a67 s PRO 44 Cb -0.11 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.57 3a67 s PRO 44 CO 0.53 -1.55 -0.12 0.50 -0.33 0.00 0.00 177.00 176.03 3a67 s ARG 45 N -3.45 1.79 -0.02 5.54 3.52 0.37 -4.94 118.95 121.76 3a67 s ARG 45 Ca 0.80 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.70 3a67 s ARG 45 Cb -0.35 -1.60 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 3a67 s ARG 45 CO 0.39 -0.09 1.36 -1.17 -0.81 0.00 0.00 175.30 174.98 3a67 s LEU 46 N 1.09 4.31 -0.22 -0.88 2.96 -1.26 -0.93 118.68 123.74 3a67 s LEU 46 Ca -0.06 2.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.88 3a67 s LEU 46 Cb -0.14 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 3a67 s LEU 46 CO -0.02 -0.70 -0.22 0.18 -1.32 0.00 0.00 176.35 174.28 3a67 n LEU 47 N 5.39 2.62 -3.83 -0.68 4.77 0.19 -4.96 117.00 120.51 3a67 n LEU 47 Ca 0.13 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3a67 n LEU 47 Cb 0.44 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 3a67 n LEU 47 CO 0.58 0.76 -0.32 -0.63 -1.33 0.00 0.00 177.39 176.45 3a67 s ILE 48 N -2.43 -0.02 0.12 -0.08 -1.09 -1.17 -4.11 121.20 112.43 3a67 s ILE 48 Ca -0.30 0.07 0.10 0.00 -2.23 0.00 0.00 60.65 58.29 3a67 s ILE 48 Cb 0.09 -0.08 -0.04 0.00 -1.58 0.00 0.00 42.46 40.85 3a67 s ILE 48 CO 0.47 0.03 -0.22 -1.59 -1.23 0.00 0.00 174.94 172.40 3a67 s LYS 49 N 0.36 1.60 -1.30 2.79 -2.85 -0.75 -1.29 119.74 118.30 3a67 s LYS 49 Ca -0.03 -1.26 -0.08 0.00 -1.00 0.00 0.00 55.97 53.59 3a67 s LYS 49 Cb -0.04 -2.01 -0.00 0.00 -2.06 0.00 0.00 37.83 33.72 3a67 s LYS 49 CO -0.01 0.46 0.58 0.66 0.10 0.00 0.00 175.35 177.15 3a67 n TYR 50 N 0.83 -1.76 0.00 1.78 4.01 -1.19 -0.94 117.16 119.90 3a67 n TYR 50 Ca -0.17 0.63 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 3a67 n TYR 50 Cb 0.53 -3.68 0.00 0.00 -0.31 0.00 0.00 39.34 35.88 3a67 n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a67 n ALA 51 N -4.33 0.00 -1.15 -0.72 0.00 0.17 -3.84 120.51 110.64 3a67 n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3a67 n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3a67 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a67 n SER 52 N 0.87 0.00 -4.71 0.00 3.41 -1.21 -2.64 113.62 109.34 3a67 n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 3a67 n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3a67 n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3a67 s GLN 53 N 0.00 4.50 0.60 4.33 -0.21 -0.12 -4.63 119.66 124.14 3a67 s GLN 53 Ca 0.00 1.58 -0.16 0.00 0.02 0.00 0.00 55.36 56.80 3a67 s GLN 53 Cb 0.00 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 3a67 s GLN 53 CO 0.00 -0.15 1.09 -1.12 -2.12 0.00 0.00 175.29 172.99 3a67 s SER 54 N 1.04 5.52 -0.11 5.90 0.01 -1.26 -1.82 113.70 122.97 3a67 s SER 54 Ca 0.55 1.97 0.03 0.00 1.31 0.00 0.00 55.95 59.81 3a67 s SER 54 Cb -0.25 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.43 3a67 s SER 54 CO 0.28 -1.35 -0.21 -0.63 0.41 0.00 0.00 173.24 171.74 3a67 s ILE 55 N -2.24 2.29 0.23 1.44 -1.09 -1.26 -4.83 121.20 115.75 3a67 s ILE 55 Ca 0.67 -0.93 -0.32 0.00 -2.23 0.00 0.00 60.65 57.85 3a67 s ILE 55 Cb -0.19 -1.90 -0.12 0.00 -1.58 0.00 0.00 42.46 38.66 3a67 s ILE 55 CO 0.36 0.55 1.66 -0.24 -1.23 0.00 0.00 174.94 176.04 3a67 n SER 56 N 3.63 3.86 0.00 3.58 2.88 -1.26 -2.35 113.62 123.95 3a67 n SER 56 Ca -0.19 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3a67 n SER 56 Cb 0.53 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 3a67 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a67 n GLY 57 N 3.29 0.67 3.88 0.46 0.00 -1.26 -5.06 105.19 107.17 3a67 n GLY 57 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3a67 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a67 s ILE 58 N -2.39 5.41 0.41 -0.61 -1.09 -0.99 -5.06 121.20 116.88 3a67 s ILE 58 Ca 0.00 0.21 -0.26 0.00 -2.23 0.00 0.00 60.65 58.37 3a67 s ILE 58 Cb 0.00 -3.49 -0.10 0.00 -1.58 0.00 0.00 42.46 37.29 3a67 s ILE 58 CO 0.00 0.52 1.34 -2.65 -1.23 0.00 0.00 174.94 172.92 3a67 n PRO 59 N 1.63 2.14 0.26 2.79 -0.02 -1.26 -4.86 135.00 135.68 3a67 n PRO 59 Ca -0.16 0.76 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3a67 n PRO 59 Cb 0.54 -2.47 0.85 0.00 -0.02 0.00 0.00 33.50 32.40 3a67 n PRO 59 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3a67 h SER 60 N 2.33 0.00 0.41 2.55 0.02 -1.97 -2.80 113.55 114.09 3a67 h SER 60 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3a67 h SER 60 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3a67 h SER 60 CO 0.61 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 174.19 3a67 n ARG 61 N -2.81 0.11 -3.32 3.45 1.85 -1.26 -4.58 116.66 110.09 3a67 n ARG 61 Ca -0.01 0.44 -0.38 0.00 -1.00 0.00 0.00 57.85 56.90 3a67 n ARG 61 Cb 0.15 -1.75 -0.06 0.00 -1.05 0.00 0.00 32.46 29.75 3a67 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3a67 s PHE 62 N -3.25 3.48 0.00 2.89 0.08 -1.06 -1.05 117.98 119.07 3a67 s PHE 62 Ca 0.03 0.84 -0.07 0.00 0.12 0.00 0.00 56.93 57.85 3a67 s PHE 62 Cb 0.07 -2.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 3a67 s PHE 62 CO 0.26 0.12 0.12 -1.54 -0.10 0.00 0.00 175.22 174.09 3a67 s SER 63 N 0.71 0.03 0.14 1.36 1.04 -0.49 -5.00 113.70 111.51 3a67 s SER 63 Ca 0.25 -0.20 0.09 0.00 0.48 0.00 0.00 55.95 56.56 3a67 s SER 63 Cb -0.15 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 3a67 s SER 63 CO 0.10 -0.34 -0.20 -0.83 0.98 0.00 0.00 173.24 172.94 3a67 s GLY 64 N -1.30 1.37 0.24 7.32 0.00 -1.26 -0.09 107.32 113.60 3a67 s GLY 64 Ca -0.14 -1.42 -0.12 0.00 0.00 0.00 0.00 44.72 43.04 3a67 s GLY 64 CO 0.01 -1.45 0.46 -1.35 0.00 0.00 0.00 173.10 170.77 3a67 s SER 65 N -2.39 -0.08 0.00 1.64 1.04 -0.55 -4.25 113.70 109.10 3a67 s SER 65 Ca 0.13 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3a67 s SER 65 Cb -0.07 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3a67 s SER 65 CO 0.06 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3a67 n GLY 66 N -0.37 1.96 3.59 7.32 0.00 -1.26 -1.52 105.19 114.91 3a67 n GLY 66 Ca -0.02 -2.10 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 3a67 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a67 s SER 67 N 0.00 -0.24 0.30 1.61 1.04 -0.99 -4.88 113.70 110.54 3a67 s SER 67 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3a67 s SER 67 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3a67 s SER 67 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3a67 n GLY 68 N -0.30 1.56 0.00 7.32 0.00 -0.05 -3.07 105.19 110.66 3a67 n GLY 68 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3a67 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a67 n THR 69 N 0.00 0.00 -4.08 2.61 -2.24 -1.26 -0.81 114.28 108.50 3a67 n THR 69 Ca 0.00 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.11 3a67 n THR 69 Cb 0.00 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 68.92 3a67 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a67 s ASP 70 N -1.27 3.78 0.09 3.42 -0.00 -1.17 -0.38 116.67 121.13 3a67 s ASP 70 Ca 0.00 -0.50 0.04 0.00 -0.00 0.00 0.00 52.55 52.10 3a67 s ASP 70 Cb 0.00 -1.62 -0.03 0.00 -0.00 0.00 0.00 42.92 41.27 3a67 s ASP 70 CO 0.00 0.00 -0.11 -0.36 -0.00 0.00 0.00 175.17 174.70 3a67 s PHE 71 N 1.30 1.09 -0.00 4.23 0.40 -0.28 -2.34 117.98 122.39 3a67 s PHE 71 Ca 0.04 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 3a67 s PHE 71 Cb -0.14 -0.60 -0.00 0.00 0.51 0.00 0.00 43.02 42.79 3a67 s PHE 71 CO -0.06 0.02 0.02 0.99 0.70 0.00 0.00 175.22 176.89 3a67 s THR 72 N -1.98 0.02 -0.18 0.64 2.01 -0.58 -1.46 115.64 114.12 3a67 s THR 72 Ca 0.02 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 3a67 s THR 72 Cb -0.06 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 3a67 s THR 72 CO 0.01 -0.11 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.53 3a67 s LEU 73 N -0.31 2.84 0.00 4.42 2.96 -0.10 -1.48 118.68 127.00 3a67 s LEU 73 Ca -0.04 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3a67 s LEU 73 Cb -0.02 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3a67 s LEU 73 CO -0.00 0.08 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.53 3a67 s SER 74 N 0.89 4.11 -0.22 3.68 0.01 0.87 -0.32 113.70 122.73 3a67 s SER 74 Ca -0.02 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.97 3a67 s SER 74 Cb -0.15 -0.82 0.05 0.00 0.21 0.00 0.00 66.02 65.31 3a67 s SER 74 CO 0.00 0.29 -0.07 -0.63 0.41 0.00 0.00 173.24 173.24 3a67 s ILE 75 N -0.89 1.54 -0.50 1.44 1.01 -0.46 -1.39 121.20 121.95 3a67 s ILE 75 Ca 0.14 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 3a67 s ILE 75 Cb -0.11 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.68 3a67 s ILE 75 CO 0.05 0.02 0.80 0.21 0.00 0.00 0.00 174.94 176.01 3a67 s ASN 76 N 1.41 6.33 -0.20 3.58 3.04 -0.22 -1.87 114.94 127.03 3a67 s ASN 76 Ca -0.04 -0.41 -0.04 0.00 0.04 0.00 0.00 52.86 52.42 3a67 s ASN 76 Cb -0.18 -2.38 0.00 0.00 -1.54 0.00 0.00 41.25 37.16 3a67 s ASN 76 CO -0.07 -1.02 0.23 -0.24 -3.04 0.00 0.00 177.10 172.96 3a67 n SER 77 N 6.84 -4.14 -4.70 -4.21 2.88 -1.24 -4.76 113.62 104.28 3a67 n SER 77 Ca -0.00 0.12 -0.43 0.00 -1.33 0.00 0.00 58.87 57.22 3a67 n SER 77 Cb 0.47 -2.59 -0.02 0.00 -0.75 0.00 0.00 64.21 61.33 3a67 n SER 77 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3a67 n VAL 78 N -0.74 1.21 -4.18 2.46 0.31 0.43 -4.60 118.33 113.22 3a67 n VAL 78 Ca 0.03 -0.30 -0.23 0.00 -0.01 0.00 0.00 64.34 63.83 3a67 n VAL 78 Cb 0.29 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 3a67 n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3a67 s GLU 79 N -0.78 2.52 0.44 5.55 0.41 -1.26 -0.55 118.70 125.03 3a67 s GLU 79 Ca 0.64 -1.33 0.13 0.00 -0.41 0.00 0.00 54.97 54.00 3a67 s GLU 79 Cb -0.59 -2.30 1.03 0.00 -1.78 0.00 0.00 34.13 30.50 3a67 s GLU 79 CO 0.52 0.31 2.02 1.79 -0.49 0.00 0.00 175.26 179.42 3a67 h THR 80 N 1.67 0.96 0.00 3.63 1.35 -1.99 -0.63 112.91 117.91 3a67 h THR 80 Ca -0.45 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3a67 h THR 80 Cb 1.25 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3a67 h THR 80 CO 0.61 0.07 0.00 -1.84 -0.25 0.00 0.00 175.52 174.11 3a67 n GLU 81 N -4.47 0.25 0.00 4.72 0.28 -1.26 -2.70 120.64 117.45 3a67 n GLU 81 Ca 0.06 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 3a67 n GLU 81 Cb 0.26 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.87 3a67 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3a67 n ASP 82 N -1.27 0.53 -4.73 -1.84 8.00 -0.24 -4.90 116.55 112.10 3a67 n ASP 82 Ca 0.08 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 3a67 n ASP 82 Cb 0.13 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 3a67 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a67 s PHE 83 N -2.99 3.21 -5.00 1.24 0.08 -1.10 -4.85 117.98 108.58 3a67 s PHE 83 Ca 0.11 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.22 3a67 s PHE 83 Cb 0.17 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 3a67 s PHE 83 CO 0.70 -2.26 0.00 0.41 -0.10 0.00 0.00 175.22 173.97 3a67 n GLY 84 N 2.89 -0.38 3.89 4.36 0.00 -0.73 -4.90 105.19 110.31 3a67 n GLY 84 Ca 0.09 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 3a67 n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a67 s MET 85 N -2.00 3.63 -0.08 1.61 -1.94 0.12 -0.78 119.30 119.86 3a67 s MET 85 Ca 0.00 -0.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 3a67 s MET 85 Cb 0.00 -2.92 0.02 0.00 2.01 0.00 0.00 34.83 33.93 3a67 s MET 85 CO 0.00 0.52 -0.10 0.71 -0.01 0.00 0.00 175.02 176.14 3a67 s TYR 86 N -1.54 1.45 0.03 -0.03 1.51 -0.28 -0.19 117.35 118.30 3a67 s TYR 86 Ca 0.37 -0.60 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 3a67 s TYR 86 Cb -0.13 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3a67 s TYR 86 CO 0.22 -0.36 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.04 3a67 s PHE 87 N 1.04 1.77 0.14 2.71 0.08 0.07 -1.14 117.98 122.64 3a67 s PHE 87 Ca -0.08 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.66 3a67 s PHE 87 Cb -0.15 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3a67 s PHE 87 CO -0.01 0.06 0.13 0.00 -0.10 0.00 0.00 175.22 175.30 3a67 s GLN 89 N -2.94 0.16 -0.02 0.00 0.74 0.38 -0.89 119.66 117.09 3a67 s GLN 89 Ca 0.31 0.29 -0.00 0.00 0.05 0.00 0.00 55.36 56.00 3a67 s GLN 89 Cb -0.11 -0.00 -0.04 0.00 1.10 0.00 0.00 33.01 33.96 3a67 s GLN 89 CO 0.23 -0.07 0.05 1.14 -0.55 0.00 0.00 175.29 176.09 3a67 s GLN 90 N 0.49 2.99 -0.06 1.67 1.03 -0.61 -0.10 119.66 125.08 3a67 s GLN 90 Ca -0.03 -0.50 0.08 0.00 0.04 0.00 0.00 55.36 54.95 3a67 s GLN 90 Cb -0.05 -2.81 0.13 0.00 0.03 0.00 0.00 33.01 30.31 3a67 s GLN 90 CO -0.02 0.65 1.02 -1.13 -2.54 0.00 0.00 175.29 173.27 3a67 n SER 91 N 1.38 1.76 -0.17 12.60 3.41 -0.81 -3.36 113.62 128.42 3a67 n SER 91 Ca -0.14 -2.39 -0.11 0.00 -0.26 0.00 0.00 58.87 55.96 3a67 n SER 91 Cb 0.53 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3a67 n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3a67 h ASN 92 N 0.00 1.04 -4.85 4.04 -1.24 -1.87 -3.46 115.58 109.25 3a67 h ASN 92 Ca 0.00 -0.38 -0.21 0.00 0.71 0.00 0.00 56.30 56.42 3a67 h ASN 92 Cb 0.86 -0.28 -0.21 0.00 0.73 0.00 0.00 38.32 39.42 3a67 h ASN 92 CO 0.00 1.18 -0.71 -0.44 -1.29 0.00 0.00 177.43 176.17 3a67 s SER 93 N -6.70 0.43 -0.02 1.15 0.01 -1.26 -5.14 113.70 102.18 3a67 s SER 93 Ca -0.11 -0.49 -0.19 0.00 1.31 0.00 0.00 55.95 56.47 3a67 s SER 93 Cb 0.12 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 3a67 s SER 93 CO 0.87 -0.25 0.52 0.86 0.41 0.00 0.00 173.24 175.65 3a67 s TRP 94 N -1.36 3.67 0.33 2.43 -0.11 -1.26 -3.33 118.94 119.31 3a67 s TRP 94 Ca -0.13 1.09 -0.26 0.00 1.22 0.00 0.00 56.10 58.01 3a67 s TRP 94 Cb -0.09 -2.51 -0.09 0.00 -1.50 0.00 0.00 33.47 29.27 3a67 s TRP 94 CO -0.01 0.40 1.02 -1.25 -4.62 0.00 0.00 176.95 172.50 3a67 s PRO 95 N -0.31 4.47 0.48 5.86 0.04 -1.26 -5.03 135.00 139.24 3a67 s PRO 95 Ca 0.28 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 3a67 s PRO 95 Cb -0.17 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 3a67 s PRO 95 CO 0.15 0.13 1.31 0.71 0.04 0.00 0.00 177.00 179.35 3a67 s TYR 96 N -1.48 2.57 0.08 0.56 2.02 -1.21 -4.75 117.35 115.14 3a67 s TYR 96 Ca 0.51 1.40 0.03 0.00 -0.37 0.00 0.00 57.07 58.64 3a67 s TYR 96 Cb -0.24 -3.70 -0.03 0.00 -0.40 0.00 0.00 41.96 37.59 3a67 s TYR 96 CO 0.30 -2.41 -0.09 0.95 -1.57 0.00 0.00 175.55 172.73 3a67 s THR 97 N -1.33 0.81 0.14 -0.71 -4.23 -1.22 -5.00 115.64 104.11 3a67 s THR 97 Ca 0.65 -1.56 0.08 0.00 -1.18 0.00 0.00 61.69 59.68 3a67 s THR 97 Cb -0.38 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 3a67 s THR 97 CO 0.47 -0.56 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.52 3a67 s PHE 98 N -2.37 2.68 0.82 3.99 0.08 -1.26 -1.57 117.98 120.35 3a67 s PHE 98 Ca 0.03 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.77 3a67 s PHE 98 Cb -0.03 -1.37 0.09 0.00 -0.57 0.00 0.00 43.02 41.14 3a67 s PHE 98 CO -0.01 0.46 1.17 0.20 -0.10 0.00 0.00 175.22 176.94 3a67 s GLY 99 N -2.46 1.59 0.04 4.36 0.00 -0.07 -4.56 107.32 106.22 3a67 s GLY 99 Ca 0.22 -0.60 0.16 0.00 0.00 0.00 0.00 44.72 44.51 3a67 s GLY 99 CO 0.14 -0.11 1.51 0.61 0.00 0.00 0.00 173.10 175.26 3a67 n GLY 100 N -3.09 -1.06 0.00 0.20 0.00 -1.25 -4.69 105.19 95.30 3a67 n GLY 100 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3a67 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a67 n GLY 101 N 0.04 -0.13 3.05 -0.02 0.00 -1.26 -5.03 105.19 101.84 3a67 n GLY 101 Ca 0.03 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 3a67 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a67 s THR 102 N -2.95 1.32 -0.24 2.61 2.01 -0.29 -4.67 115.64 113.41 3a67 s THR 102 Ca 0.00 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 3a67 s THR 102 Cb 0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3a67 s THR 102 CO 0.00 0.40 0.40 -0.75 -0.69 0.00 0.00 174.62 173.97 3a67 s LYS 103 N 0.75 4.09 -0.29 4.92 2.20 -0.04 -1.12 119.74 130.24 3a67 s LYS 103 Ca -0.12 0.13 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 3a67 s LYS 103 Cb -0.16 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 3a67 s LYS 103 CO 0.03 -0.19 0.16 -1.17 -0.36 0.00 0.00 175.35 173.82 3a67 s LEU 104 N 1.78 4.00 0.21 5.43 2.96 0.04 -0.42 118.68 132.67 3a67 s LEU 104 Ca 0.17 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 3a67 s LEU 104 Cb -0.15 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3a67 s LEU 104 CO 0.09 -0.11 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.24 3a67 s GLU 105 N 1.69 1.36 0.21 1.98 2.02 -0.26 -1.78 118.70 123.93 3a67 s GLU 105 Ca 0.06 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 3a67 s GLU 105 Cb -0.16 -1.25 -0.08 0.00 0.10 0.00 0.00 34.13 32.73 3a67 s GLU 105 CO 0.08 0.22 1.05 -1.50 0.02 0.00 0.00 175.26 175.13 3a67 s ILE 106 N -2.71 3.87 -2.62 -1.63 2.07 -1.26 -0.16 121.20 118.76 3a67 s ILE 106 Ca 0.22 1.73 0.27 0.00 -1.41 0.00 0.00 60.65 61.46 3a67 s ILE 106 Cb -0.02 -4.11 0.47 0.00 0.13 0.00 0.00 42.46 38.93 3a67 s ILE 106 CO 0.08 0.36 1.63 1.17 -1.91 0.00 0.00 174.94 176.27