#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mcm s PRO 2 N 0.00 4.13 -0.01 0.00 0.02 -1.16 -4.26 135.00 133.73 2mcm s PRO 2 Ca 0.00 2.55 -0.06 0.00 0.02 0.00 0.00 61.00 63.51 2mcm s PRO 2 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2mcm s PRO 2 CO 0.00 -0.59 0.13 0.20 -0.33 0.00 0.00 177.00 176.40 2mcm s GLY 3 N 0.36 0.03 0.02 0.52 0.00 -0.64 -4.86 107.32 102.76 2mcm s GLY 3 Ca 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2mcm s GLY 3 CO 0.50 -0.18 -0.03 0.14 0.00 0.00 0.00 173.10 173.53 2mcm s VAL 4 N -1.10 0.16 -0.03 1.40 1.01 -1.26 -1.28 120.40 119.30 2mcm s VAL 4 Ca -0.12 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2mcm s VAL 4 Cb -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2mcm s VAL 4 CO 0.01 -0.52 -0.09 -0.89 0.00 0.00 0.00 175.10 173.61 2mcm s THR 5 N -1.62 0.77 -0.16 3.92 2.01 0.51 -4.89 115.64 116.19 2mcm s THR 5 Ca -0.14 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2mcm s THR 5 Cb -0.09 -0.70 -0.00 0.00 0.01 0.00 0.00 72.50 71.72 2mcm s THR 5 CO -0.01 0.25 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 2mcm s VAL 6 N 0.30 2.64 -0.07 3.82 1.01 -1.26 -0.96 120.40 125.88 2mcm s VAL 6 Ca -0.05 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2mcm s VAL 6 Cb -0.10 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2mcm s VAL 6 CO 0.01 0.51 -0.06 -0.89 0.00 0.00 0.00 175.10 174.67 2mcm s THR 7 N 0.87 0.78 0.81 3.92 2.01 -0.20 -3.54 115.64 120.28 2mcm s THR 7 Ca -0.04 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 2mcm s THR 7 Cb -0.15 -0.79 0.08 0.00 0.01 0.00 0.00 72.50 71.65 2mcm s THR 7 CO -0.01 0.30 1.14 -2.16 -0.69 0.00 0.00 174.62 173.20 2mcm s PRO 8 N 1.20 1.94 0.00 4.92 0.04 -1.26 -1.08 135.00 140.76 2mcm s PRO 8 Ca -0.06 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2mcm s PRO 8 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2mcm s PRO 8 CO -0.02 -1.65 0.20 0.00 0.04 0.00 0.00 177.00 175.58 2mcm n ALA 9 N -3.39 1.81 -2.37 8.56 0.00 -1.23 -4.80 120.51 119.09 2mcm n ALA 9 Ca 0.07 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2mcm n ALA 9 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 2mcm n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2mcm s THR 10 N -0.40 0.93 -1.57 0.00 -4.23 -1.26 -1.42 115.64 107.69 2mcm s THR 10 Ca 0.00 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2mcm s THR 10 Cb 0.00 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2mcm s THR 10 CO 0.00 -0.67 0.26 0.61 -0.54 0.00 0.00 174.62 174.29 2mcm n GLY 11 N 0.27 -0.44 3.82 3.99 0.00 -0.86 -4.92 105.19 107.06 2mcm n GLY 11 Ca -0.14 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2mcm n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2mcm s LEU 12 N -5.92 3.22 0.25 0.99 1.43 -0.58 -4.15 118.68 113.92 2mcm s LEU 12 Ca 0.13 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2mcm s LEU 12 Cb -0.06 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 2mcm s LEU 12 CO 0.16 -1.30 0.33 -0.55 0.23 0.00 0.00 176.35 175.22 2mcm s SER 13 N -3.66 6.09 0.06 2.29 0.15 -1.26 -0.71 113.70 116.66 2mcm s SER 13 Ca 0.59 -0.03 -0.31 0.00 0.70 0.00 0.00 55.95 56.90 2mcm s SER 13 Cb -0.14 -1.69 -0.08 0.00 -1.71 0.00 0.00 66.02 62.40 2mcm s SER 13 CO 0.51 -0.09 1.57 0.21 1.20 0.00 0.00 173.24 176.63 2mcm s ASN 14 N -3.96 6.68 0.00 5.45 2.47 -1.26 -2.57 114.94 121.75 2mcm s ASN 14 Ca 0.35 2.38 0.00 0.00 0.42 0.00 0.00 52.86 56.01 2mcm s ASN 14 Cb -0.09 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 2mcm s ASN 14 CO 0.28 -0.83 0.00 0.61 -3.72 0.00 0.00 177.10 173.44 2mcm n GLY 15 N 3.86 0.68 3.75 1.21 0.00 0.65 -4.95 105.19 110.40 2mcm n GLY 15 Ca 0.15 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2mcm n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2mcm s GLN 16 N -0.56 4.82 -0.12 1.61 0.74 -1.06 -4.79 119.66 120.30 2mcm s GLN 16 Ca 0.00 1.46 -0.19 0.00 0.05 0.00 0.00 55.36 56.68 2mcm s GLN 16 Cb 0.00 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 2mcm s GLN 16 CO 0.00 0.49 0.54 0.99 -0.55 0.00 0.00 175.29 176.75 2mcm s THR 17 N -1.24 5.14 0.34 -0.34 2.01 -1.26 -0.88 115.64 119.41 2mcm s THR 17 Ca 0.42 1.07 0.09 0.00 0.31 0.00 0.00 61.69 63.58 2mcm s THR 17 Cb -0.25 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 2mcm s THR 17 CO 0.31 0.29 -0.03 0.68 -0.69 0.00 0.00 174.62 175.18 2mcm s VAL 18 N 0.81 2.48 -0.17 3.82 -7.23 0.62 -4.81 120.40 115.92 2mcm s VAL 18 Ca 0.28 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.35 2mcm s VAL 18 Cb -0.16 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2mcm s VAL 18 CO 0.12 -0.20 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.79 2mcm s THR 19 N -2.55 3.88 -0.28 5.32 2.01 -0.24 -1.36 115.64 122.41 2mcm s THR 19 Ca 0.34 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 2mcm s THR 19 Cb 0.01 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2mcm s THR 19 CO 0.18 0.47 0.16 -0.69 -0.69 0.00 0.00 174.62 174.06 2mcm s VAL 20 N 0.58 4.95 -0.18 3.82 1.01 0.19 -1.04 120.40 129.73 2mcm s VAL 20 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 2mcm s VAL 20 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2mcm s VAL 20 CO 0.02 0.21 -0.14 -0.44 0.00 0.00 0.00 175.10 174.75 2mcm s SER 21 N 1.70 3.61 0.11 3.32 0.01 -0.14 -0.93 113.70 121.37 2mcm s SER 21 Ca 0.06 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 56.88 2mcm s SER 21 Cb -0.16 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 2mcm s SER 21 CO 0.08 0.03 -0.19 0.00 0.41 0.00 0.00 173.24 173.58 2mcm s ALA 22 N 1.13 1.68 0.13 1.44 0.00 0.63 -0.36 121.76 126.41 2mcm s ALA 22 Ca 0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 2mcm s ALA 22 Cb -0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2mcm s ALA 22 CO -0.05 0.28 0.03 0.95 0.00 0.00 0.00 175.76 176.98 2mcm s THR 23 N -1.38 0.23 -0.26 0.00 -4.23 -0.41 -2.28 115.64 107.32 2mcm s THR 23 Ca 0.06 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2mcm s THR 23 Cb -0.09 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2mcm s THR 23 CO 0.04 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2mcm n GLY 24 N -0.10 0.54 3.99 3.99 0.00 -0.94 -1.62 105.19 111.06 2mcm n GLY 24 Ca -0.07 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 2mcm n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2mcm s LEU 25 N -0.57 2.92 -0.30 0.99 1.43 -0.12 -0.38 118.68 122.66 2mcm s LEU 25 Ca 0.00 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 2mcm s LEU 25 Cb 0.00 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2mcm s LEU 25 CO 0.00 -2.04 0.44 -0.89 0.23 0.00 0.00 176.35 174.10 2mcm s THR 26 N -3.24 5.11 0.27 5.49 2.01 -1.26 -4.38 115.64 119.63 2mcm s THR 26 Ca 0.68 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 2mcm s THR 26 Cb -0.04 -3.81 -0.14 0.00 0.01 0.00 0.00 72.50 68.52 2mcm s THR 26 CO 0.46 0.02 1.24 -2.65 -0.69 0.00 0.00 174.62 173.00 2mcm n PRO 27 N 5.50 1.77 -0.22 4.92 -0.02 -1.26 -2.14 135.00 143.54 2mcm n PRO 27 Ca -0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2mcm n PRO 27 Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2mcm n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2mcm n GLY 28 N 1.53 2.01 3.83 -1.23 0.00 -0.25 -4.98 105.19 106.11 2mcm n GLY 28 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2mcm n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mcm s THR 29 N -3.03 4.69 -0.13 2.61 2.01 -0.91 -4.81 115.64 116.07 2mcm s THR 29 Ca 0.00 1.08 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 2mcm s THR 29 Cb 0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2mcm s THR 29 CO 0.00 0.20 0.67 -0.69 -0.69 0.00 0.00 174.62 174.11 2mcm s VAL 30 N -1.52 5.03 -0.09 3.82 1.01 -1.26 -1.42 120.40 125.97 2mcm s VAL 30 Ca 0.41 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2mcm s VAL 30 Cb -0.16 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2mcm s VAL 30 CO 0.20 0.18 -0.09 -0.31 0.00 0.00 0.00 175.10 175.08 2mcm s TYR 31 N 1.37 2.89 -0.32 5.22 1.51 -0.01 -4.47 117.35 123.53 2mcm s TYR 31 Ca 0.33 -0.17 -0.21 0.00 -1.01 0.00 0.00 57.07 56.01 2mcm s TYR 31 Cb -0.17 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2mcm s TYR 31 CO 0.14 0.15 0.67 -1.01 -1.11 0.00 0.00 175.55 174.39 2mcm s HIS 32 N -0.40 3.19 -0.18 2.71 3.76 0.11 -1.57 115.29 122.91 2mcm s HIS 32 Ca 0.05 0.57 -0.15 0.00 -0.15 0.00 0.00 55.06 55.38 2mcm s HIS 32 Cb -0.12 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 2mcm s HIS 32 CO 0.02 -0.54 0.34 0.08 -0.85 0.00 0.00 174.74 173.79 2mcm s VAL 33 N 2.72 5.26 0.17 -0.90 1.01 0.21 -1.64 120.40 127.23 2mcm s VAL 33 Ca 0.27 0.61 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 2mcm s VAL 33 Cb -0.15 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.63 2mcm s VAL 33 CO 0.13 0.33 0.97 -0.83 0.00 0.00 0.00 175.10 175.71 2mcm s GLY 34 N 0.72 -0.14 -0.20 4.51 0.00 -0.62 -1.83 107.32 109.77 2mcm s GLY 34 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 2mcm s GLY 34 CO 0.06 0.45 0.06 1.62 0.00 0.00 0.00 173.10 175.29 2mcm s GLN 35 N -3.02 3.87 0.26 2.90 0.74 -1.26 -1.94 119.66 121.21 2mcm s GLN 35 Ca 0.14 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.19 2mcm s GLN 35 Cb -0.02 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 2mcm s GLN 35 CO 0.03 0.14 0.20 0.00 -0.55 0.00 0.00 175.29 175.11 2mcm s ALA 37 N -3.85 -1.34 -0.34 0.00 0.00 -0.50 -0.81 121.76 114.94 2mcm s ALA 37 Ca 0.40 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 2mcm s ALA 37 Cb 0.05 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2mcm s ALA 37 CO 0.19 -0.83 0.75 0.08 0.00 0.00 0.00 175.76 175.95 2mcm s VAL 38 N -3.82 4.80 -0.05 0.00 1.01 -1.26 -0.93 120.40 120.15 2mcm s VAL 38 Ca 0.05 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2mcm s VAL 38 Cb -0.02 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.96 2mcm s VAL 38 CO -0.06 -0.32 0.63 -0.37 0.00 0.00 0.00 175.10 174.98 2mcm h VAL 39 N 5.66 0.88 -2.91 2.92 -1.51 -1.35 -3.47 116.25 116.47 2mcm h VAL 39 Ca -0.25 -2.62 -0.13 0.00 -1.23 0.00 0.00 66.70 62.46 2mcm h VAL 39 Cb 1.10 2.56 -0.24 0.00 -2.13 0.00 0.00 31.29 32.58 2mcm h VAL 39 CO 0.88 0.73 -0.30 -1.61 -1.23 0.00 0.00 177.57 176.04 2mcm s GLU 40 N -2.59 0.45 -0.20 5.19 2.02 -1.08 -5.04 118.70 117.45 2mcm s GLU 40 Ca -0.12 0.38 -0.42 0.00 0.02 0.00 0.00 54.97 54.83 2mcm s GLU 40 Cb 0.07 0.22 -0.19 0.00 0.10 0.00 0.00 34.13 34.33 2mcm s GLU 40 CO 0.81 -0.07 1.42 -2.30 0.02 0.00 0.00 175.26 175.14 2mcm n PRO 41 N 2.63 0.43 -0.63 0.39 -0.02 -1.26 0.31 135.00 136.84 2mcm n PRO 41 Ca -0.14 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2mcm n PRO 41 Cb 0.57 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2mcm n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2mcm n GLY 42 N 3.01 1.66 3.02 -1.23 0.00 -1.26 -4.99 105.19 105.41 2mcm n GLY 42 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2mcm n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2mcm s VAL 43 N -3.61 1.70 -0.13 1.61 1.01 0.90 -5.10 120.40 116.78 2mcm s VAL 43 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2mcm s VAL 43 Cb 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2mcm s VAL 43 CO 0.00 0.32 0.24 -0.63 0.00 0.00 0.00 175.10 175.03 2mcm s ILE 44 N 1.40 5.34 0.06 2.22 -1.09 -1.26 -0.87 121.20 126.99 2mcm s ILE 44 Ca 0.02 0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.96 2mcm s ILE 44 Cb -0.15 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2mcm s ILE 44 CO -0.10 0.49 -0.26 -0.83 -1.23 0.00 0.00 174.94 173.01 2mcm s GLY 45 N -0.22 1.42 0.22 6.18 0.00 -0.11 -4.52 107.32 110.30 2mcm s GLY 45 Ca 0.16 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.60 2mcm s GLY 45 CO 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 173.10 171.98 2mcm s ASP 47 N -3.26 6.48 0.35 0.00 -1.08 -0.56 -0.92 116.67 117.69 2mcm s ASP 47 Ca 0.30 0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.66 2mcm s ASP 47 Cb 0.07 -2.44 0.75 0.00 -1.46 0.00 0.00 42.92 39.83 2mcm s ASP 47 CO 0.09 -1.04 1.74 0.00 0.52 0.00 0.00 175.17 176.48 2mcm h ALA 48 N 9.07 1.00 0.00 3.66 0.00 -1.91 -2.94 119.26 128.14 2mcm h ALA 48 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2mcm h ALA 48 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2mcm h ALA 48 CO 1.02 0.00 -0.36 1.79 0.00 0.00 0.00 179.25 181.70 2mcm h THR 49 N 0.00 0.71 -0.01 0.00 1.35 -1.90 -3.26 112.91 109.80 2mcm h THR 49 Ca 0.00 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2mcm h THR 49 Cb 0.75 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2mcm h THR 49 CO 0.00 0.36 -0.09 0.35 -0.25 0.00 0.00 175.52 175.89 2mcm n THR 50 N -3.31 0.00 -1.91 6.82 -2.24 -1.20 -5.02 114.28 107.41 2mcm n THR 50 Ca 0.01 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 2mcm n THR 50 Cb 0.59 1.17 0.02 0.00 -2.10 0.00 0.00 70.33 70.02 2mcm n THR 50 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2mcm s SER 51 N -1.08 5.59 0.11 3.42 1.04 -1.11 -4.66 113.70 117.00 2mcm s SER 51 Ca 0.10 1.81 -0.08 0.00 0.48 0.00 0.00 55.95 58.27 2mcm s SER 51 Cb 0.08 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 2mcm s SER 51 CO 0.18 -1.30 0.19 0.28 0.98 0.00 0.00 173.24 173.57 2mcm s THR 52 N -2.54 0.13 -0.11 2.02 -1.32 -0.76 -5.00 115.64 108.06 2mcm s THR 52 Ca 0.63 -1.33 -0.01 0.00 -1.21 0.00 0.00 61.69 59.77 2mcm s THR 52 Cb -0.16 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 2mcm s THR 52 CO 0.41 -0.57 -0.08 -1.81 -2.21 0.00 0.00 174.62 170.36 2mcm s ASP 53 N -2.91 4.50 -0.02 8.08 1.01 -1.26 -0.62 116.67 125.46 2mcm s ASP 53 Ca 0.10 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.24 2mcm s ASP 53 Cb 0.05 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.56 2mcm s ASP 53 CO -0.07 0.26 -0.07 -0.69 0.21 0.00 0.00 175.17 174.81 2mcm s VAL 54 N -0.19 0.57 -0.10 -1.27 1.01 -0.61 -4.98 120.40 114.83 2mcm s VAL 54 Ca 0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 2mcm s VAL 54 Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2mcm s VAL 54 CO 0.03 0.19 0.53 -0.89 0.00 0.00 0.00 175.10 174.95 2mcm s THR 55 N 0.18 5.14 0.49 3.92 2.01 -1.26 -0.83 115.64 125.29 2mcm s THR 55 Ca -0.02 1.07 -0.22 0.00 0.31 0.00 0.00 61.69 62.83 2mcm s THR 55 Cb -0.07 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 2mcm s THR 55 CO -0.00 0.32 1.23 0.00 -0.69 0.00 0.00 174.62 175.47 2mcm s ALA 56 N 0.59 2.91 0.82 7.40 0.00 -0.51 -4.87 121.76 128.11 2mcm s ALA 56 Ca 0.29 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.25 2mcm s ALA 56 Cb -0.16 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.67 2mcm s ALA 56 CO 0.12 -0.89 0.93 -0.40 0.00 0.00 0.00 175.76 175.52 2mcm n ASP 57 N -0.69 0.64 0.32 0.00 5.68 -0.89 -1.09 116.55 120.52 2mcm n ASP 57 Ca 0.08 -1.69 0.20 0.00 -0.50 0.00 0.00 54.79 52.89 2mcm n ASP 57 Cb 0.47 -0.66 1.12 0.00 -1.14 0.00 0.00 41.12 40.91 2mcm n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2mcm h ALA 58 N -1.14 1.16 -0.16 2.12 0.00 -1.95 -0.48 119.26 118.81 2mcm h ALA 58 Ca -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2mcm h ALA 58 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2mcm h ALA 58 CO 0.27 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2mcm n ALA 59 N -2.16 2.51 -2.07 0.00 0.00 -1.26 -4.84 120.51 112.70 2mcm n ALA 59 Ca -0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 2mcm n ALA 59 Cb 0.08 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2mcm n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2mcm n GLY 60 N 1.20 0.12 3.48 0.00 0.00 -0.19 -4.62 105.19 105.18 2mcm n GLY 60 Ca 0.17 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 2mcm n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mcm s LYS 61 N -4.26 1.72 -0.03 1.61 1.02 -1.26 -0.94 119.74 117.60 2mcm s LYS 61 Ca 0.00 -1.63 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 2mcm s LYS 61 Cb 0.00 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2mcm s LYS 61 CO 0.00 0.36 0.07 0.42 -0.92 0.00 0.00 175.35 175.28 2mcm s ILE 62 N -2.20 -0.02 -0.12 2.17 1.01 -0.96 -2.10 121.20 118.97 2mcm s ILE 62 Ca 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 2mcm s ILE 62 Cb -0.06 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.33 2mcm s ILE 62 CO 0.14 0.03 -0.04 -0.89 0.00 0.00 0.00 174.94 174.18 2mcm s THR 63 N 0.43 0.85 0.03 2.92 2.01 -1.26 -0.27 115.64 120.35 2mcm s THR 63 Ca -0.03 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.70 2mcm s THR 63 Cb -0.05 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 2mcm s THR 63 CO -0.02 0.25 -0.04 0.00 -0.69 0.00 0.00 174.62 174.12 2mcm s ALA 64 N 1.77 0.30 0.03 7.40 0.00 -0.11 -4.98 121.76 126.16 2mcm s ALA 64 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 2mcm s ALA 64 Cb -0.13 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 2mcm s ALA 64 CO -0.07 -0.14 0.47 -0.65 0.00 0.00 0.00 175.76 175.37 2mcm s GLN 65 N -1.71 4.01 -0.04 0.00 -0.21 -1.26 0.53 119.66 120.98 2mcm s GLN 65 Ca -0.12 0.52 0.00 0.00 0.02 0.00 0.00 55.36 55.78 2mcm s GLN 65 Cb -0.08 -3.21 0.03 0.00 1.00 0.00 0.00 33.01 30.74 2mcm s GLN 65 CO -0.01 0.66 -0.00 -1.17 -2.12 0.00 0.00 175.29 172.65 2mcm s LEU 66 N -1.14 1.07 -0.13 2.90 2.96 -0.46 -4.95 118.68 118.92 2mcm s LEU 66 Ca 0.26 -0.04 -0.22 0.00 -0.22 0.00 0.00 54.13 53.91 2mcm s LEU 66 Cb -0.17 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 2mcm s LEU 66 CO 0.16 -0.11 0.65 -0.75 -1.32 0.00 0.00 176.35 174.98 2mcm s LYS 67 N 1.17 4.33 0.19 1.98 2.20 -1.26 -0.28 119.74 128.08 2mcm s LYS 67 Ca -0.08 0.73 0.07 0.00 -0.36 0.00 0.00 55.97 56.34 2mcm s LYS 67 Cb -0.13 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2mcm s LYS 67 CO -0.02 -0.07 0.03 0.14 -0.36 0.00 0.00 175.35 175.07 2mcm s VAL 68 N 1.31 3.82 0.02 4.02 -7.23 -0.06 -4.87 120.40 117.41 2mcm s VAL 68 Ca 0.33 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2mcm s VAL 68 Cb -0.16 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2mcm s VAL 68 CO 0.14 -0.17 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.67 2mcm s HIS 69 N -1.86 0.69 0.08 2.82 3.76 -1.26 -0.25 115.29 119.26 2mcm s HIS 69 Ca 0.29 -0.31 0.30 0.00 -0.15 0.00 0.00 55.06 55.19 2mcm s HIS 69 Cb -0.09 -0.42 1.15 0.00 1.11 0.00 0.00 32.58 34.34 2mcm s HIS 69 CO 0.20 -0.03 1.91 0.66 -0.85 0.00 0.00 174.74 176.62 2mcm h SER 70 N 5.19 0.00 -4.40 1.40 4.64 -1.92 -3.43 113.55 115.03 2mcm h SER 70 Ca -0.33 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.74 2mcm h SER 70 Cb 1.19 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.04 2mcm h SER 70 CO 0.45 0.08 -0.73 -0.94 -0.87 0.00 0.00 176.83 174.82 2mcm s SER 71 N -5.90 0.49 0.16 4.97 1.04 -1.26 0.08 113.70 113.29 2mcm s SER 71 Ca 0.01 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 2mcm s SER 71 Cb 0.09 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2mcm s SER 71 CO 0.58 -0.12 0.40 0.72 0.98 0.00 0.00 173.24 175.80 2mcm s PHE 72 N -0.82 0.05 -0.28 5.02 -0.12 -0.30 -4.98 117.98 116.54 2mcm s PHE 72 Ca -0.06 -0.40 -0.18 0.00 -0.05 0.00 0.00 56.93 56.23 2mcm s PHE 72 Cb -0.06 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2mcm s PHE 72 CO -0.00 -0.78 0.53 -0.65 -0.05 0.00 0.00 175.22 174.27 2mcm s GLN 73 N -3.89 3.99 0.14 1.99 -1.52 -1.26 -0.71 119.66 118.40 2mcm s GLN 73 Ca 0.10 0.26 -0.15 0.00 -1.95 0.00 0.00 55.36 53.62 2mcm s GLN 73 Cb 0.01 -3.68 -0.07 0.00 -0.22 0.00 0.00 33.01 29.05 2mcm s GLN 73 CO -0.04 -0.42 0.55 0.00 -0.25 0.00 0.00 175.29 175.12 2mcm s ALA 74 N 2.37 3.58 0.06 6.09 0.00 0.20 -4.39 121.76 129.67 2mcm s ALA 74 Ca 0.22 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.13 2mcm s ALA 74 Cb -0.15 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2mcm s ALA 74 CO 0.10 0.45 -0.16 0.14 0.00 0.00 0.00 175.76 176.29 2mcm s VAL 75 N -1.43 2.93 0.17 0.00 -7.23 -0.09 -0.87 120.40 113.88 2mcm s VAL 75 Ca 0.37 -1.22 0.09 0.00 -1.81 0.00 0.00 61.98 59.41 2mcm s VAL 75 Cb -0.15 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2mcm s VAL 75 CO 0.19 0.28 -0.20 0.68 -0.31 0.00 0.00 175.10 175.74 2mcm s VAL 76 N -1.00 1.93 0.00 1.32 -7.23 0.22 -1.57 120.40 114.07 2mcm s VAL 76 Ca 0.16 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2mcm s VAL 76 Cb -0.11 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2mcm s VAL 76 CO 0.07 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2mcm n GLY 77 N 0.36 -2.39 0.15 2.32 0.00 -1.26 -2.08 105.19 102.29 2mcm n GLY 77 Ca -0.14 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.43 2mcm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mcm h ALA 78 N 0.00 0.76 -0.01 4.61 0.00 -2.00 -3.24 119.26 119.38 2mcm h ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2mcm h ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2mcm h ALA 78 CO 0.00 0.00 -0.21 -0.40 0.00 0.00 0.00 179.25 178.64 2mcm n ASP 79 N -2.70 1.24 -2.85 0.00 5.68 -1.26 -4.97 116.55 111.69 2mcm n ASP 79 Ca 0.03 -1.09 -0.12 0.00 -0.50 0.00 0.00 54.79 53.11 2mcm n ASP 79 Cb 0.51 0.13 0.06 0.00 -1.14 0.00 0.00 41.12 40.68 2mcm n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2mcm n GLY 80 N 1.31 -0.59 3.72 6.12 0.00 -1.22 -4.99 105.19 109.53 2mcm n GLY 80 Ca 0.13 0.31 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 2mcm n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mcm s THR 81 N -3.30 4.85 0.25 2.61 2.01 -0.88 -4.77 115.64 116.41 2mcm s THR 81 Ca 0.29 1.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.86 2mcm s THR 81 Cb -0.04 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 2mcm s THR 81 CO 0.57 0.22 1.47 -2.84 -0.69 0.00 0.00 174.62 173.35 2mcm s PRO 82 N 0.73 4.24 -0.17 4.92 0.02 -1.26 -0.61 135.00 142.88 2mcm s PRO 82 Ca 0.47 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 63.79 2mcm s PRO 82 Cb -0.20 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.13 2mcm s PRO 82 CO 0.25 -0.46 -0.18 1.87 -0.33 0.00 0.00 177.00 178.15 2mcm n TRP 83 N 2.40 0.00 -0.68 6.54 -0.00 -0.05 -4.87 117.44 120.78 2mcm n TRP 83 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 2mcm n TRP 83 Cb 0.40 -0.62 0.00 0.00 -0.00 0.00 0.00 31.31 31.09 2mcm n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2mcm n GLY 84 N 2.31 0.08 3.76 5.87 0.00 -1.20 -4.99 105.19 111.02 2mcm n GLY 84 Ca -0.31 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 2mcm n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mcm s THR 85 N -1.86 4.16 -0.12 2.61 2.01 -1.26 -0.63 115.64 120.54 2mcm s THR 85 Ca 0.00 1.96 0.03 0.00 0.31 0.00 0.00 61.69 63.99 2mcm s THR 85 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.27 2mcm s THR 85 CO 0.00 0.46 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.48 2mcm s VAL 86 N -1.23 2.20 -0.31 3.82 1.01 0.11 -4.92 120.40 121.09 2mcm s VAL 86 Ca 0.41 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2mcm s VAL 86 Cb -0.24 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2mcm s VAL 86 CO 0.30 0.55 0.07 0.21 0.00 0.00 0.00 175.10 176.22 2mcm s ASN 87 N 0.56 5.10 0.00 3.32 3.84 -1.26 -1.15 114.94 125.35 2mcm s ASN 87 Ca -0.13 -0.95 0.21 0.00 0.21 0.00 0.00 52.86 52.21 2mcm s ASN 87 Cb -0.17 -1.84 1.28 0.00 -0.55 0.00 0.00 41.25 39.97 2mcm s ASN 87 CO 0.04 -0.25 1.72 0.00 -2.79 0.00 0.00 177.10 175.82 2mcm n LYS 89 N -0.91 0.43 -0.06 0.00 5.02 -1.26 -4.41 118.16 116.98 2mcm n LYS 89 Ca 0.16 -0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2mcm n LYS 89 Cb 0.07 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 2mcm n LYS 89 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2mcm n VAL 90 N -0.99 0.67 -4.28 -0.18 0.31 -0.84 -5.04 118.33 107.98 2mcm n VAL 90 Ca 0.07 -0.23 -0.23 0.00 -0.01 0.00 0.00 64.34 63.93 2mcm n VAL 90 Cb 0.37 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.10 2mcm n VAL 90 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2mcm s VAL 91 N -2.23 3.22 -0.05 2.52 0.11 -0.77 -5.10 120.40 118.09 2mcm s VAL 91 Ca -0.16 -1.92 -0.30 0.00 -2.93 0.00 0.00 61.98 56.68 2mcm s VAL 91 Cb 0.05 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 2mcm s VAL 91 CO 0.25 -0.32 0.98 -0.44 -3.33 0.00 0.00 175.10 172.24 2mcm s SER 92 N -3.70 7.30 0.32 3.54 0.01 -1.26 -4.38 113.70 115.53 2mcm s SER 92 Ca 0.33 1.58 0.10 0.00 1.31 0.00 0.00 55.95 59.27 2mcm s SER 92 Cb -0.05 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2mcm s SER 92 CO 0.20 -0.34 -0.04 0.00 0.41 0.00 0.00 173.24 173.47 2mcm s SER 94 N -3.67 0.89 -0.03 0.00 1.04 0.01 -1.25 113.70 110.69 2mcm s SER 94 Ca 0.33 -1.28 0.06 0.00 0.48 0.00 0.00 55.95 55.54 2mcm s SER 94 Cb -0.02 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 2mcm s SER 94 CO 0.18 -0.69 -0.22 0.00 0.98 0.00 0.00 173.24 173.49 2mcm s ALA 95 N -3.83 1.86 0.00 5.32 0.00 -0.85 -1.38 121.76 122.87 2mcm s ALA 95 Ca 0.31 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2mcm s ALA 95 Cb 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2mcm s ALA 95 CO 0.08 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2mcm n GLY 96 N 2.77 0.77 3.15 0.00 0.00 -0.82 -1.01 105.19 110.06 2mcm n GLY 96 Ca -0.16 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 2mcm n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2mcm s LEU 97 N 0.00 1.30 0.03 0.99 0.05 -0.39 -1.58 118.68 119.08 2mcm s LEU 97 Ca 0.00 -0.09 -0.21 0.00 0.05 0.00 0.00 54.13 53.88 2mcm s LEU 97 Cb 0.00 0.89 0.04 0.00 -2.05 0.00 0.00 46.19 45.07 2mcm s LEU 97 CO 0.00 -0.39 0.47 -0.83 -0.55 0.00 0.00 176.35 175.04 2mcm s GLY 98 N -1.34 -0.35 0.73 -3.48 0.00 -0.65 -1.54 107.32 100.69 2mcm s GLY 98 Ca -0.14 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.12 2mcm s GLY 98 CO 0.03 0.25 1.00 -1.35 0.00 0.00 0.00 173.10 173.03 2mcm s SER 99 N -1.80 4.30 0.27 1.64 1.04 -0.23 -0.72 113.70 118.21 2mcm s SER 99 Ca -0.07 -0.53 0.22 0.00 0.48 0.00 0.00 55.95 56.05 2mcm s SER 99 Cb -0.01 0.22 1.02 0.00 0.10 0.00 0.00 66.02 67.35 2mcm s SER 99 CO 0.00 -1.91 1.68 0.47 0.98 0.00 0.00 173.24 174.46 2mcm n ASP 100 N -2.82 0.61 -1.06 7.02 8.00 -1.26 -1.58 116.55 125.46 2mcm n ASP 100 Ca 0.17 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.48 2mcm n ASP 100 Cb 0.61 -0.81 0.19 0.00 -0.02 0.00 0.00 41.12 41.09 2mcm n ASP 100 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2mcm n SER 101 N -2.22 3.21 0.00 -2.24 7.64 -1.26 -4.95 113.62 113.80 2mcm n SER 101 Ca 0.01 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2mcm n SER 101 Cb 0.15 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2mcm n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2mcm n GLY 102 N 1.44 0.72 3.71 0.23 0.00 -0.61 -5.02 105.19 105.65 2mcm n GLY 102 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2mcm n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2mcm s GLU 103 N -0.30 4.44 0.00 1.61 2.12 -1.26 -4.76 118.70 120.55 2mcm s GLU 103 Ca 0.00 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.05 2mcm s GLU 103 Cb 0.00 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2mcm s GLU 103 CO 0.00 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 2mcm n GLY 104 N 3.20 -0.54 3.63 -1.50 0.00 -1.26 -1.07 105.19 107.65 2mcm n GLY 104 Ca 0.09 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 2mcm n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mcm s ALA 105 N -1.00 -1.49 0.06 4.61 0.00 -0.59 -4.81 121.76 118.54 2mcm s ALA 105 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 2mcm s ALA 105 Cb 0.00 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2mcm s ALA 105 CO 0.00 -0.89 0.27 0.00 0.00 0.00 0.00 175.76 175.14 2mcm s ALA 106 N -3.69 -0.55 -0.09 0.00 0.00 -1.26 -1.26 121.76 114.91 2mcm s ALA 106 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.85 2mcm s ALA 106 Cb -0.03 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.50 2mcm s ALA 106 CO -0.03 -0.45 -0.13 -1.14 0.00 0.00 0.00 175.76 174.00 2mcm s GLN 107 N -3.01 1.92 0.36 0.00 0.74 -0.18 -4.95 119.66 114.54 2mcm s GLN 107 Ca -0.02 -0.47 -0.28 0.00 0.05 0.00 0.00 55.36 54.65 2mcm s GLN 107 Cb 0.01 -1.63 -0.10 0.00 1.10 0.00 0.00 33.01 32.39 2mcm s GLN 107 CO -0.06 -0.03 1.35 0.00 -0.55 0.00 0.00 175.29 176.00 2mcm s ALA 108 N 0.87 3.45 0.24 1.58 0.00 -1.26 -2.01 121.76 124.64 2mcm s ALA 108 Ca -0.10 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.26 2mcm s ALA 108 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2mcm s ALA 108 CO 0.01 -0.78 -0.10 0.96 0.00 0.00 0.00 175.76 175.84 2mcm s ILE 109 N -1.16 1.69 0.05 0.00 -4.36 -0.38 -4.90 121.20 112.14 2mcm s ILE 109 Ca 0.52 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2mcm s ILE 109 Cb -0.41 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 2mcm s ILE 109 CO 0.54 -0.45 -0.08 0.42 0.24 0.00 0.00 174.94 175.61 2mcm s THR 110 N -2.99 0.57 0.06 8.37 -4.23 -0.51 -4.35 115.64 112.56 2mcm s THR 110 Ca 0.26 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2mcm s THR 110 Cb 0.01 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 2mcm s THR 110 CO 0.09 -0.45 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.30 2mcm s PHE 111 N -1.69 2.85 -2.00 3.99 0.40 -1.26 -1.53 117.98 118.74 2mcm s PHE 111 Ca -0.07 -0.08 0.13 0.00 -0.60 0.00 0.00 56.93 56.31 2mcm s PHE 111 Cb -0.08 -1.53 0.75 0.00 0.51 0.00 0.00 43.02 42.68 2mcm s PHE 111 CO -0.00 0.41 1.18 0.00 0.70 0.00 0.00 175.22 177.51