#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tei s ASP 2 N 0.00 6.71 -0.26 0.00 1.01 -1.26 -5.03 116.67 117.83 1tei s ASP 2 Ca 0.00 1.70 -0.09 0.00 0.71 0.00 0.00 52.55 54.87 1tei s ASP 2 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1tei s ASP 2 CO 0.00 -0.52 0.12 -0.89 0.21 0.00 0.00 175.17 174.09 1tei s THR 3 N -2.29 4.77 -0.03 -1.27 2.01 -1.26 -5.04 115.64 112.53 1tei s THR 3 Ca 0.62 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1tei s THR 3 Cb -0.11 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1tei s THR 3 CO 0.20 0.30 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.60 1tei s ILE 4 N 1.68 1.62 -0.07 1.82 -1.09 -1.26 -3.55 121.20 120.34 1tei s ILE 4 Ca 0.07 -0.86 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1tei s ILE 4 Cb -0.15 -1.36 0.02 0.00 -1.58 0.00 0.00 42.46 39.39 1tei s ILE 4 CO 0.07 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.51 1tei s VAL 5 N -0.34 0.61 0.14 2.92 1.01 -0.97 0.20 120.40 123.96 1tei s VAL 5 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1tei s VAL 5 Cb -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1tei s VAL 5 CO 0.00 0.28 0.25 0.00 0.00 0.00 0.00 175.10 175.63 1tei s ALA 6 N 1.54 -0.06 -0.23 5.51 0.00 -0.20 -0.95 121.76 127.36 1tei s ALA 6 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1tei s ALA 6 Cb -0.13 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.78 1tei s ALA 6 CO -0.04 -0.60 -0.10 0.08 0.00 0.00 0.00 175.76 175.10 1tei s VAL 7 N -3.93 1.89 -0.11 0.00 1.01 0.03 -0.71 120.40 118.57 1tei s VAL 7 Ca 0.13 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 1tei s VAL 7 Cb 0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1tei s VAL 7 CO -0.04 0.04 0.15 -1.83 0.00 0.00 0.00 175.10 173.43 1tei s GLU 8 N 1.25 3.46 -0.87 2.72 -1.05 -0.26 -1.23 118.70 122.71 1tei s GLU 8 Ca -0.05 -0.12 -0.02 0.00 -0.15 0.00 0.00 54.97 54.63 1tei s GLU 8 Cb -0.18 -3.19 0.22 0.00 -0.44 0.00 0.00 34.13 30.54 1tei s GLU 8 CO -0.07 0.77 0.75 -0.51 0.95 0.00 0.00 175.26 177.16 1tei s LEU 9 N -1.07 5.56 -0.53 1.83 1.02 0.10 -1.02 118.68 124.58 1tei s LEU 9 Ca 0.16 -3.62 -0.28 0.00 0.02 0.00 0.00 54.13 50.41 1tei s LEU 9 Cb -0.12 -1.91 0.03 0.00 0.02 0.00 0.00 46.19 44.20 1tei s LEU 9 CO 0.05 -0.21 1.13 -0.62 0.02 0.00 0.00 176.35 176.72 1tei s ASP 10 N 0.01 6.51 0.29 2.29 -1.08 -0.10 -1.66 116.67 122.94 1tei s ASP 10 Ca 0.26 0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.72 1tei s ASP 10 Cb -0.09 -2.53 0.19 0.00 -1.46 0.00 0.00 42.92 39.03 1tei s ASP 10 CO -0.11 -1.34 1.32 0.71 0.52 0.00 0.00 175.17 176.27 1tei h THR 11 N 6.17 0.00 -3.20 1.71 1.35 -1.73 -1.04 112.91 116.17 1tei h THR 11 Ca -0.24 -0.94 -0.67 0.00 -0.55 0.00 0.00 66.41 64.00 1tei h THR 11 Cb 1.06 1.67 -0.33 0.00 -1.73 0.00 0.00 68.15 68.82 1tei h THR 11 CO 1.14 0.00 -0.84 -0.47 -0.25 0.00 0.00 175.52 175.10 1tei s TYR 12 N -3.28 2.75 -0.32 4.73 5.04 -1.24 -4.54 117.35 120.49 1tei s TYR 12 Ca 0.03 -1.31 -0.29 0.00 -2.44 0.00 0.00 57.07 53.07 1tei s TYR 12 Cb 0.08 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.52 1tei s TYR 12 CO 0.73 -0.62 1.07 -1.25 -1.34 0.00 0.00 175.55 174.14 1tei s PRO 13 N 0.99 4.06 -0.89 4.97 0.04 -1.26 -4.96 135.00 137.95 1tei s PRO 13 Ca -0.02 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1tei s PRO 13 Cb -0.15 -3.74 0.22 0.00 0.04 0.00 0.00 34.50 30.88 1tei s PRO 13 CO -0.04 -0.90 0.79 -0.80 0.04 0.00 0.00 177.00 176.08 1tei s ASN 14 N 1.66 6.20 0.58 6.66 -0.87 -1.26 -4.91 114.94 122.99 1tei s ASN 14 Ca 0.45 -3.47 0.28 0.00 -1.57 0.00 0.00 52.86 48.55 1tei s ASN 14 Cb -0.12 -1.98 1.73 0.00 -0.02 0.00 0.00 41.25 40.85 1tei s ASN 14 CO 0.15 -0.27 2.23 0.71 -2.57 0.00 0.00 177.10 177.36 1tei h THR 15 N 4.25 0.60 0.00 1.60 1.35 -1.86 -2.08 112.91 116.78 1tei h THR 15 Ca 0.13 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.93 1tei h THR 15 Cb 0.87 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1tei h THR 15 CO 0.85 0.01 -0.15 -2.24 -0.25 0.00 0.00 175.52 173.74 1tei h ASP 16 N 0.00 0.00 -0.37 5.36 3.04 -1.90 -2.65 116.42 119.90 1tei h ASP 16 Ca -0.00 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 1tei h ASP 16 Cb 0.02 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.28 1tei h ASP 16 CO 0.00 0.15 0.03 2.30 -2.04 0.00 0.00 179.24 179.68 1tei n ILE 17 N -3.58 2.46 -0.06 4.15 -5.35 -0.82 -4.96 119.36 111.21 1tei n ILE 17 Ca -0.01 -1.93 0.00 0.00 -0.27 0.00 0.00 62.75 60.53 1tei n ILE 17 Cb 0.29 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 1tei n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tei n GLY 18 N -0.46 0.46 3.76 3.28 0.00 -1.00 -4.74 105.19 106.50 1tei n GLY 18 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1tei n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tei s ASP 19 N -2.65 5.32 0.82 1.61 1.01 -0.99 -4.96 116.67 116.83 1tei s ASP 19 Ca 0.00 2.18 -0.11 0.00 0.71 0.00 0.00 52.55 55.33 1tei s ASP 19 Cb 0.00 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.44 1tei s ASP 19 CO 0.00 -1.49 1.09 -2.84 0.21 0.00 0.00 175.17 172.14 1tei s PRO 20 N -3.57 1.87 0.00 8.23 0.02 -1.26 -4.20 135.00 136.08 1tei s PRO 20 Ca 0.72 0.71 0.00 0.00 0.02 0.00 0.00 61.00 62.45 1tei s PRO 20 Cb -0.25 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1tei s PRO 20 CO 0.34 -1.79 1.54 -1.13 -0.33 0.00 0.00 177.00 175.63 1tei n SER 21 N -3.56 4.27 -3.62 2.53 3.41 -1.26 -4.63 113.62 110.76 1tei n SER 21 Ca 0.07 -2.22 -0.09 0.00 -0.26 0.00 0.00 58.87 56.37 1tei n SER 21 Cb 0.56 -0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1tei n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1tei s TYR 22 N 0.01 -0.35 0.49 7.33 -0.85 -1.26 -4.97 117.35 117.73 1tei s TYR 22 Ca 0.00 0.05 -0.24 0.00 -0.52 0.00 0.00 57.07 56.36 1tei s TYR 22 Cb 0.00 0.62 -0.07 0.00 0.38 0.00 0.00 41.96 42.89 1tei s TYR 22 CO 0.00 -0.97 1.35 -2.30 -1.52 0.00 0.00 175.55 172.11 1tei n PRO 23 N -0.41 1.92 -3.91 -3.49 -0.02 -1.26 -4.61 135.00 123.23 1tei n PRO 23 Ca -0.10 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1tei n PRO 23 Cb 0.62 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1tei n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1tei s HIS 24 N -1.24 0.07 0.04 6.00 -3.43 -0.40 -1.45 115.29 114.89 1tei s HIS 24 Ca 0.65 -0.52 0.08 0.00 -0.80 0.00 0.00 55.06 54.47 1tei s HIS 24 Cb -0.45 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.20 1tei s HIS 24 CO 0.54 -1.20 -0.21 0.96 -2.00 0.00 0.00 174.74 172.83 1tei s ILE 25 N -3.72 2.57 0.18 -5.38 -4.36 -0.83 -0.92 121.20 108.74 1tei s ILE 25 Ca 0.16 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 59.18 1tei s ILE 25 Cb -0.04 -2.06 -0.00 0.00 1.25 0.00 0.00 42.46 41.61 1tei s ILE 25 CO 0.09 0.35 0.35 -0.83 0.24 0.00 0.00 174.94 175.14 1tei s GLY 26 N -1.37 0.37 -0.25 6.27 0.00 -0.19 -1.75 107.32 110.41 1tei s GLY 26 Ca 0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1tei s GLY 26 CO 0.04 -0.70 -0.03 -0.42 0.00 0.00 0.00 173.10 172.00 1tei s ILE 27 N -3.95 3.28 -0.22 0.90 1.01 -0.67 -1.11 121.20 120.43 1tei s ILE 27 Ca 0.16 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 1tei s ILE 27 Cb 0.02 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1tei s ILE 27 CO 0.00 0.25 0.03 -1.81 0.00 0.00 0.00 174.94 173.42 1tei s ASP 28 N 1.42 4.99 -0.36 3.58 1.01 0.11 -0.82 116.67 126.59 1tei s ASP 28 Ca 0.03 -0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.09 1tei s ASP 28 Cb -0.16 -1.87 0.09 0.00 1.01 0.00 0.00 42.92 41.99 1tei s ASP 28 CO -0.03 0.03 0.10 -0.63 0.21 0.00 0.00 175.17 174.85 1tei s ILE 29 N 1.24 2.84 -0.41 0.77 -1.09 -1.26 -1.04 121.20 122.26 1tei s ILE 29 Ca 0.04 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.47 1tei s ILE 29 Cb -0.15 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1tei s ILE 29 CO 0.02 -0.51 0.00 0.29 -1.23 0.00 0.00 174.94 173.51 1tei n LYS 30 N 4.48 -1.90 -3.62 2.79 5.02 0.13 -4.91 118.16 120.15 1tei n LYS 30 Ca -0.03 0.63 -0.16 0.00 -2.02 0.00 0.00 58.31 56.73 1tei n LYS 30 Cb 0.42 -5.07 -0.07 0.00 -0.02 0.00 0.00 35.03 30.29 1tei n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1tei s SER 31 N -2.11 -0.51 0.38 4.39 0.15 -1.26 -4.92 113.70 109.83 1tei s SER 31 Ca 0.00 0.61 0.28 0.00 0.70 0.00 0.00 55.95 57.53 1tei s SER 31 Cb 0.00 0.59 1.03 0.00 -1.71 0.00 0.00 66.02 65.92 1tei s SER 31 CO 0.00 -0.49 1.81 1.62 1.20 0.00 0.00 173.24 177.38 1tei h VAL 32 N 3.47 0.00 -1.35 4.45 3.04 -1.90 -3.39 116.25 120.57 1tei h VAL 32 Ca -0.28 -0.46 -0.62 0.00 -1.01 0.00 0.00 66.70 64.34 1tei h VAL 32 Cb 1.16 1.36 -0.11 0.00 -2.01 0.00 0.00 31.29 31.68 1tei h VAL 32 CO 0.35 0.00 1.38 -0.13 -1.01 0.00 0.00 177.57 178.16 1tei s ARG 33 N -3.40 3.59 0.07 4.17 0.52 -1.26 -4.96 118.95 117.67 1tei s ARG 33 Ca 0.04 -1.22 -0.36 0.00 -0.52 0.00 0.00 55.73 53.67 1tei s ARG 33 Cb 0.09 -5.27 -0.19 0.00 0.52 0.00 0.00 34.95 30.11 1tei s ARG 33 CO 0.51 -2.13 0.95 0.43 0.02 0.00 0.00 175.30 175.08 1tei n SER 34 N 8.49 -0.09 0.20 0.23 7.64 -1.26 -4.83 113.62 123.99 1tei n SER 34 Ca 0.31 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.42 1tei n SER 34 Cb 0.51 -0.97 0.36 0.00 -1.01 0.00 0.00 64.21 63.10 1tei n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tei h LYS 35 N 2.61 0.00 -2.27 1.43 1.79 -1.32 -3.45 116.57 115.36 1tei h LYS 35 Ca -0.44 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 1tei h LYS 35 Cb 1.42 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.85 1tei h LYS 35 CO 0.64 0.29 0.01 0.21 -1.08 0.00 0.00 179.45 179.52 1tei s LYS 36 N -3.53 0.74 0.20 3.15 2.47 -1.24 -5.02 119.74 116.51 1tei s LYS 36 Ca 0.01 0.75 -0.00 0.00 -1.56 0.00 0.00 55.97 55.16 1tei s LYS 36 Cb 0.10 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.79 1tei s LYS 36 CO 0.66 -0.11 0.10 0.95 0.16 0.00 0.00 175.35 177.11 1tei s THR 37 N 0.11 0.15 -0.11 3.43 -4.23 -1.26 -1.67 115.64 112.06 1tei s THR 37 Ca -0.02 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 1tei s THR 37 Cb -0.04 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.42 1tei s THR 37 CO 0.02 -0.12 0.33 0.00 -0.54 0.00 0.00 174.62 174.31 1tei s ALA 38 N -4.04 -0.82 0.30 3.99 0.00 -0.72 -4.98 121.76 115.49 1tei s ALA 38 Ca 0.35 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1tei s ALA 38 Cb 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 23.12 22.64 1tei s ALA 38 CO 0.10 -0.17 1.59 0.21 0.00 0.00 0.00 175.76 177.48 1tei s LYS 39 N -0.08 4.11 -0.14 0.00 2.20 -1.26 -1.97 119.74 122.61 1tei s LYS 39 Ca -0.02 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1tei s LYS 39 Cb -0.03 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1tei s LYS 39 CO 0.01 -0.63 -0.12 -0.46 -0.36 0.00 0.00 175.35 173.79 1tei s TRP 40 N -0.11 1.91 -1.27 4.03 -0.00 -0.53 -4.79 118.94 118.19 1tei s TRP 40 Ca 0.62 -1.04 -0.14 0.00 -0.00 0.00 0.00 56.10 55.54 1tei s TRP 40 Cb -0.48 -1.46 0.13 0.00 -0.00 0.00 0.00 33.47 31.66 1tei s TRP 40 CO 0.50 -0.61 1.67 0.09 -0.00 0.00 0.00 176.95 178.59 1tei n ASN 41 N 4.84 4.99 -4.74 5.86 3.02 -1.26 -4.41 115.26 123.55 1tei n ASN 41 Ca -0.15 -2.97 -0.42 0.00 -0.03 0.00 0.00 54.58 51.02 1tei n ASN 41 Cb 0.50 -1.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.03 1tei n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1tei s MET 42 N 2.38 4.13 -0.45 3.52 -2.45 -1.26 -4.97 119.30 120.19 1tei s MET 42 Ca 0.46 2.57 -0.04 0.00 -1.25 0.00 0.00 55.69 57.44 1tei s MET 42 Cb 0.03 -3.04 0.12 0.00 1.25 0.00 0.00 34.83 33.19 1tei s MET 42 CO 0.02 -0.65 0.26 -0.65 1.05 0.00 0.00 175.02 175.05 1tei s GLN 43 N -0.18 2.15 0.02 4.11 -0.21 -1.26 -5.07 119.66 119.21 1tei s GLN 43 Ca 0.65 -1.92 -0.36 0.00 0.02 0.00 0.00 55.36 53.75 1tei s GLN 43 Cb -0.48 -3.65 -0.15 0.00 1.00 0.00 0.00 33.01 29.73 1tei s GLN 43 CO 0.45 -1.10 1.58 -1.71 -2.12 0.00 0.00 175.29 172.38 1tei n ASN 44 N 4.47 2.54 0.00 5.90 2.85 -1.26 -1.89 115.26 127.87 1tei n ASN 44 Ca -0.01 1.07 0.00 0.00 -0.11 0.00 0.00 54.58 55.53 1tei n ASN 44 Cb 0.41 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.14 1tei n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tei n GLY 45 N 3.41 1.20 3.63 8.20 0.00 0.12 -4.98 105.19 116.77 1tei n GLY 45 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1tei n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tei s LYS 46 N -0.16 2.45 -0.09 1.61 1.02 -0.79 -4.92 119.74 118.86 1tei s LYS 46 Ca 0.00 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 1tei s LYS 46 Cb 0.00 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1tei s LYS 46 CO 0.00 0.56 1.10 0.08 -0.92 0.00 0.00 175.35 176.17 1tei s VAL 47 N -1.17 4.53 0.47 3.17 1.01 -1.26 -4.15 120.40 123.00 1tei s VAL 47 Ca 0.21 1.83 0.04 0.00 0.00 0.00 0.00 61.98 64.06 1tei s VAL 47 Cb -0.11 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1tei s VAL 47 CO 0.13 -0.01 0.04 -0.83 0.00 0.00 0.00 175.10 174.43 1tei s GLY 48 N 1.29 2.76 -0.03 4.51 0.00 -0.08 -4.56 107.32 111.20 1tei s GLY 48 Ca 0.52 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1tei s GLY 48 CO 0.19 -2.13 -0.09 -1.59 0.00 0.00 0.00 173.10 169.48 1tei s THR 49 N -2.79 0.84 -0.01 0.90 2.01 -0.13 -1.54 115.64 114.91 1tei s THR 49 Ca 0.20 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1tei s THR 49 Cb 0.05 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1tei s THR 49 CO 0.11 0.26 -0.20 0.00 -0.69 0.00 0.00 174.62 174.11 1tei s ALA 50 N 0.29 2.47 -0.05 7.40 0.00 -0.08 -1.17 121.76 130.62 1tei s ALA 50 Ca -0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 1tei s ALA 50 Cb -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.30 1tei s ALA 50 CO 0.01 0.55 0.06 -1.58 0.00 0.00 0.00 175.76 174.80 1tei s HIS 51 N -0.75 0.09 -0.07 0.00 5.04 -0.06 -1.82 115.29 117.72 1tei s HIS 51 Ca 0.12 0.21 0.02 0.00 -1.54 0.00 0.00 55.06 53.88 1tei s HIS 51 Cb -0.10 -0.50 -0.03 0.00 0.04 0.00 0.00 32.58 31.99 1tei s HIS 51 CO 0.01 -0.21 -0.12 0.42 -2.34 0.00 0.00 174.74 172.50 1tei s ILE 52 N 2.16 3.22 0.04 0.89 1.09 -0.10 -1.18 121.20 127.32 1tei s ILE 52 Ca 0.05 -0.65 -0.02 0.00 -1.10 0.00 0.00 60.65 58.93 1tei s ILE 52 Cb -0.12 -2.29 -0.03 0.00 -1.06 0.00 0.00 42.46 38.96 1tei s ILE 52 CO -0.03 0.58 -0.00 0.27 -0.10 0.00 0.00 174.94 175.65 1tei s ILE 53 N -0.57 0.16 -0.15 2.92 -4.36 -0.22 -0.92 121.20 118.05 1tei s ILE 53 Ca 0.08 -1.29 -0.29 0.00 -0.26 0.00 0.00 60.65 58.90 1tei s ILE 53 Cb -0.11 -0.87 0.09 0.00 1.25 0.00 0.00 42.46 42.82 1tei s ILE 53 CO 0.01 -0.71 0.81 -0.47 0.24 0.00 0.00 174.94 174.83 1tei s TYR 54 N -2.63 -0.59 -0.08 1.37 5.04 -0.99 -1.36 117.35 118.11 1tei s TYR 54 Ca -0.05 1.18 -0.11 0.00 -2.44 0.00 0.00 57.07 55.65 1tei s TYR 54 Cb -0.01 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.70 1tei s TYR 54 CO -0.05 -0.44 0.28 0.54 -1.34 0.00 0.00 175.55 174.54 1tei s ASN 55 N -0.64 -0.25 0.47 4.32 2.20 -1.26 -1.93 114.94 117.85 1tei s ASN 55 Ca -0.04 0.40 0.32 0.00 -0.94 0.00 0.00 52.86 52.59 1tei s ASN 55 Cb -0.02 0.50 1.43 0.00 -2.00 0.00 0.00 41.25 41.16 1tei s ASN 55 CO 0.04 -0.20 1.95 0.77 -2.94 0.00 0.00 177.10 176.71 1tei h SER 56 N 5.15 0.00 -0.05 3.54 4.64 -0.58 0.44 113.55 126.68 1tei h SER 56 Ca -0.27 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1tei h SER 56 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1tei h SER 56 CO 0.35 0.00 -0.45 0.58 -0.87 0.00 0.00 176.83 176.44 1tei h VAL 57 N 0.00 1.42 0.00 0.95 2.07 -1.88 -3.33 116.25 115.48 1tei h VAL 57 Ca 0.00 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.55 1tei h VAL 57 Cb 0.33 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1tei h VAL 57 CO 0.00 0.55 -1.36 0.47 0.02 0.00 0.00 177.57 177.25 1tei n ASP 58 N -4.31 0.73 -3.77 0.57 8.00 -1.20 -4.97 116.55 111.59 1tei n ASP 58 Ca -0.09 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.48 1tei n ASP 58 Cb 0.58 0.50 0.02 0.00 -0.02 0.00 0.00 41.12 42.20 1tei n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1tei n LYS 59 N -2.73 -3.95 -3.98 -1.24 5.02 0.14 -4.90 118.16 106.52 1tei n LYS 59 Ca -0.06 0.54 -0.23 0.00 -2.02 0.00 0.00 58.31 56.53 1tei n LYS 59 Cb 0.71 -4.87 -0.17 0.00 -0.02 0.00 0.00 35.03 30.68 1tei n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1tei s ARG 60 N -6.14 0.96 -0.25 1.97 3.52 -1.25 -1.77 118.95 115.99 1tei s ARG 60 Ca 0.06 -0.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.47 1tei s ARG 60 Cb -0.02 -1.09 -0.05 0.00 -1.56 0.00 0.00 34.95 32.23 1tei s ARG 60 CO 0.84 -0.20 0.20 -1.17 -0.81 0.00 0.00 175.30 174.16 1tei s LEU 61 N 1.48 4.09 0.11 -0.88 2.96 -0.38 -4.03 118.68 122.02 1tei s LEU 61 Ca -0.02 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1tei s LEU 61 Cb -0.13 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1tei s LEU 61 CO -0.04 0.01 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.43 1tei s SER 62 N 1.27 1.87 -0.00 3.68 0.01 -0.46 -1.44 113.70 118.62 1tei s SER 62 Ca 0.09 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 1tei s SER 62 Cb -0.14 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1tei s SER 62 CO 0.07 -0.14 0.04 0.00 0.41 0.00 0.00 173.24 173.61 1tei s ALA 63 N -1.99 -0.07 -0.05 1.44 0.00 -0.33 -1.06 121.76 119.70 1tei s ALA 63 Ca 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1tei s ALA 63 Cb -0.06 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1tei s ALA 63 CO 0.02 -0.08 -0.06 0.08 0.00 0.00 0.00 175.76 175.72 1tei s VAL 64 N -0.57 0.69 -0.05 0.00 1.01 -0.32 -1.98 120.40 119.17 1tei s VAL 64 Ca -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1tei s VAL 64 Cb -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1tei s VAL 64 CO -0.00 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.47 1tei s VAL 65 N 0.96 1.70 0.19 2.92 1.01 -0.56 -0.88 120.40 125.74 1tei s VAL 65 Ca -0.10 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1tei s VAL 65 Cb -0.14 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1tei s VAL 65 CO 0.00 0.48 0.55 -0.94 0.00 0.00 0.00 175.10 175.19 1tei s SER 66 N -0.09 -0.34 0.07 3.32 1.04 -0.32 -0.79 113.70 116.59 1tei s SER 66 Ca -0.03 -0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1tei s SER 66 Cb -0.12 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1tei s SER 66 CO 0.03 -1.04 -0.24 -0.31 0.98 0.00 0.00 173.24 172.66 1tei s TYR 67 N -3.84 2.07 0.33 5.02 2.02 -1.26 -0.96 117.35 120.73 1tei s TYR 67 Ca 0.07 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.10 1tei s TYR 67 Cb -0.01 -1.21 -0.13 0.00 -0.40 0.00 0.00 41.96 40.21 1tei s TYR 67 CO -0.06 0.16 1.12 -2.30 -1.57 0.00 0.00 175.55 172.90 1tei n PRO 68 N 1.57 1.66 -3.62 -1.71 -0.02 -1.26 -2.74 135.00 128.87 1tei n PRO 68 Ca -0.17 0.58 -0.20 0.00 -2.02 0.00 0.00 63.50 61.69 1tei n PRO 68 Cb 0.53 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1tei n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1tei n ASN 69 N 0.96 -1.42 -3.46 2.55 5.03 -1.26 -5.00 115.26 112.66 1tei n ASN 69 Ca 0.08 -0.76 -0.12 0.00 0.87 0.00 0.00 54.58 54.65 1tei n ASN 69 Cb 0.34 -4.39 -0.03 0.00 -1.02 0.00 0.00 39.78 34.68 1tei n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tei s ALA 70 N -3.57 -1.70 0.97 5.41 0.00 -1.11 -5.16 121.76 116.61 1tei s ALA 70 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1tei s ALA 70 Cb -0.00 0.55 0.18 0.00 0.00 0.00 0.00 23.12 23.85 1tei s ALA 70 CO 0.79 -0.66 1.09 -0.51 0.00 0.00 0.00 175.76 176.47 1tei s ASP 71 N -2.34 2.60 0.02 0.00 1.01 -1.26 -4.62 116.67 112.07 1tei s ASP 71 Ca -0.00 1.80 0.05 0.00 0.71 0.00 0.00 52.55 55.12 1tei s ASP 71 Cb -0.01 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1tei s ASP 71 CO -0.07 -3.24 -0.14 -0.94 0.21 0.00 0.00 175.17 170.98 1tei s SER 72 N -2.86 4.06 0.06 0.27 1.04 -1.26 -4.39 113.70 110.63 1tei s SER 72 Ca 0.66 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.60 1tei s SER 72 Cb -0.22 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.06 1tei s SER 72 CO 0.59 0.28 0.53 0.00 0.98 0.00 0.00 173.24 175.62 1tei s ALA 73 N -0.91 3.62 0.03 5.32 0.00 0.03 -4.92 121.76 124.93 1tei s ALA 73 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1tei s ALA 73 Cb -0.11 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1tei s ALA 73 CO 0.05 0.43 -0.11 0.99 0.00 0.00 0.00 175.76 177.12 1tei s THR 74 N -1.15 0.87 -0.14 0.00 2.01 -1.26 -1.50 115.64 114.47 1tei s THR 74 Ca 0.29 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 1tei s THR 74 Cb -0.18 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1tei s THR 74 CO 0.18 -0.02 0.36 0.54 -0.69 0.00 0.00 174.62 174.98 1tei s VAL 75 N -0.77 -0.01 0.05 3.82 0.11 -0.84 -4.72 120.40 118.04 1tei s VAL 75 Ca -0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1tei s VAL 75 Cb -0.07 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1tei s VAL 75 CO 0.01 0.01 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.20 1tei s SER 76 N 0.49 0.57 -0.24 3.54 0.15 -1.26 -1.19 113.70 115.76 1tei s SER 76 Ca -0.02 -0.77 -0.18 0.00 0.70 0.00 0.00 55.95 55.68 1tei s SER 76 Cb -0.04 0.13 0.07 0.00 -1.71 0.00 0.00 66.02 64.46 1tei s SER 76 CO -0.03 -0.42 0.62 -0.47 1.20 0.00 0.00 173.24 174.14 1tei s TYR 77 N -2.69 -0.81 -0.23 3.44 5.04 -0.52 -4.95 117.35 116.63 1tei s TYR 77 Ca -0.02 1.79 -0.27 0.00 -2.44 0.00 0.00 57.07 56.12 1tei s TYR 77 Cb -0.01 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1tei s TYR 77 CO -0.05 -0.40 0.96 -0.51 -1.34 0.00 0.00 175.55 174.21 1tei s ASP 78 N 0.95 7.02 -0.20 4.32 1.01 -1.26 -1.25 116.67 127.25 1tei s ASP 78 Ca -0.05 1.27 -0.10 0.00 0.71 0.00 0.00 52.55 54.38 1tei s ASP 78 Cb -0.05 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.45 1tei s ASP 78 CO -0.08 -0.60 0.47 0.54 0.21 0.00 0.00 175.17 175.71 1tei s VAL 79 N 2.99 -0.23 -0.56 -1.27 0.11 -0.73 -4.98 120.40 115.73 1tei s VAL 79 Ca 0.41 0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 59.32 1tei s VAL 79 Cb -0.15 -0.71 0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1tei s VAL 79 CO 0.07 0.04 0.90 -0.62 -3.33 0.00 0.00 175.10 172.16 1tei s ASP 80 N 1.83 6.30 0.62 3.54 -1.08 -1.26 -4.38 116.67 122.25 1tei s ASP 80 Ca -0.07 -0.52 0.40 0.00 -0.52 0.00 0.00 52.55 51.83 1tei s ASP 80 Cb -0.09 -2.41 2.04 0.00 -1.46 0.00 0.00 42.92 41.00 1tei s ASP 80 CO -0.14 -1.21 2.24 -0.07 0.52 0.00 0.00 175.17 176.50 1tei h LEU 81 N 10.86 0.00 -1.89 -1.34 3.38 -1.98 -2.61 115.31 121.73 1tei h LEU 81 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1tei h LEU 81 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1tei h LEU 81 CO 1.09 0.01 -0.10 0.44 0.09 0.00 0.00 178.44 179.96 1tei h ASP 82 N 0.00 0.00 0.08 -0.43 3.32 -1.91 -0.77 116.42 116.72 1tei h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tei h ASP 82 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1tei h ASP 82 CO 0.00 0.10 -0.25 0.59 -1.72 0.00 0.00 179.24 177.97 1tei n ASN 83 N -4.20 1.67 -0.05 6.45 3.02 -0.98 -4.49 115.26 116.68 1tei n ASN 83 Ca -0.03 -1.33 -0.06 0.00 -0.03 0.00 0.00 54.58 53.13 1tei n ASN 83 Cb 0.18 0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.51 1tei n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1tei n VAL 84 N -0.05 0.55 -4.14 2.41 0.31 -0.68 -5.05 118.33 111.68 1tei n VAL 84 Ca 0.13 -0.22 -0.27 0.00 -0.01 0.00 0.00 64.34 63.97 1tei n VAL 84 Cb 0.42 -0.84 -0.07 0.00 -0.91 0.00 0.00 33.84 32.44 1tei n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1tei s LEU 85 N -5.45 3.57 0.83 7.52 1.43 -0.38 -4.95 118.68 121.25 1tei s LEU 85 Ca -0.12 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1tei s LEU 85 Cb 0.03 -2.21 0.09 0.00 0.03 0.00 0.00 46.19 44.13 1tei s LEU 85 CO 0.23 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.83 1tei s PRO 86 N -2.97 1.82 0.27 1.29 0.04 -1.26 -4.76 135.00 129.44 1tei s PRO 86 Ca 0.29 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1tei s PRO 86 Cb -0.10 -1.88 0.53 0.00 0.04 0.00 0.00 34.50 33.09 1tei s PRO 86 CO 0.21 -1.82 1.83 1.49 0.04 0.00 0.00 177.00 178.74 1tei h GLU 87 N -1.24 0.91 -5.45 4.56 4.81 -1.94 -3.41 114.58 112.83 1tei h GLU 87 Ca -0.48 -0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.04 1tei h GLU 87 Cb 1.27 -0.21 -0.24 0.00 0.63 0.00 0.00 28.75 30.21 1tei h GLU 87 CO 0.58 0.60 -0.72 -1.58 -0.73 0.00 0.00 179.01 177.16 1tei s TRP 88 N -5.97 2.90 0.26 0.92 0.52 -1.26 -1.87 118.94 114.43 1tei s TRP 88 Ca -0.12 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.63 1tei s TRP 88 Cb 0.22 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1tei s TRP 88 CO 0.80 -0.07 0.20 1.33 0.02 0.00 0.00 176.95 179.23 1tei n VAL 89 N 3.33 0.00 -4.39 4.03 0.24 0.02 -4.34 118.33 117.22 1tei n VAL 89 Ca -0.18 -1.83 -0.20 0.00 -2.04 0.00 0.00 64.34 60.10 1tei n VAL 89 Cb 0.53 0.87 -0.14 0.00 -1.47 0.00 0.00 33.84 33.63 1tei n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1tei s ARG 90 N -3.05 0.88 0.06 7.34 0.52 -0.04 0.33 118.95 124.99 1tei s ARG 90 Ca 0.28 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.97 1tei s ARG 90 Cb 0.01 -0.85 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 1tei s ARG 90 CO 0.20 0.22 -0.08 0.14 0.02 0.00 0.00 175.30 175.80 1tei s VAL 91 N -0.59 3.53 0.14 3.52 -7.23 -1.26 -1.20 120.40 117.32 1tei s VAL 91 Ca 0.02 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.06 1tei s VAL 91 Cb -0.06 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.30 1tei s VAL 91 CO 0.00 0.23 0.43 0.61 -0.31 0.00 0.00 175.10 176.06 1tei n GLY 92 N 1.04 1.26 3.17 2.32 0.00 -0.14 -1.57 105.19 111.26 1tei n GLY 92 Ca -0.14 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 1tei n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tei s LEU 93 N 0.00 2.00 0.12 0.99 1.43 -0.26 -0.79 118.68 122.17 1tei s LEU 93 Ca 0.09 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1tei s LEU 93 Cb -0.02 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1tei s LEU 93 CO 0.04 0.21 -0.10 -0.55 0.23 0.00 0.00 176.35 176.18 1tei s SER 94 N -0.31 1.58 0.10 2.29 0.15 0.66 -1.29 113.70 116.90 1tei s SER 94 Ca 0.04 -0.90 -0.25 0.00 0.70 0.00 0.00 55.95 55.54 1tei s SER 94 Cb -0.08 0.00 0.08 0.00 -1.71 0.00 0.00 66.02 64.31 1tei s SER 94 CO 0.00 -0.30 0.67 0.00 1.20 0.00 0.00 173.24 174.81 1tei s ALA 95 N -2.86 -1.67 0.22 5.45 0.00 -0.75 -0.20 121.76 121.96 1tei s ALA 95 Ca 0.10 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 1tei s ALA 95 Cb -0.00 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1tei s ALA 95 CO -0.00 -0.71 0.63 -1.54 0.00 0.00 0.00 175.76 174.13 1tei s SER 96 N -2.54 -0.34 0.06 0.00 1.04 -1.12 -2.33 113.70 108.48 1tei s SER 96 Ca 0.01 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 1tei s SER 96 Cb -0.01 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1tei s SER 96 CO -0.10 -1.16 -0.04 0.42 0.98 0.00 0.00 173.24 173.34 1tei s THR 97 N -3.87 0.34 0.00 2.02 -4.23 -0.20 -0.87 115.64 108.84 1tei s THR 97 Ca 0.08 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1tei s THR 97 Cb -0.03 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1tei s THR 97 CO -0.01 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.79 1tei n GLY 98 N 0.28 2.88 0.21 3.99 0.00 -1.26 -1.11 105.19 110.18 1tei n GLY 98 Ca -0.15 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1tei n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tei h LEU 99 N 0.00 0.65-10.05 0.99 5.85 -1.97 0.90 115.31 111.68 1tei h LEU 99 Ca 0.00 -0.38 -0.50 0.00 0.84 0.00 0.00 57.88 57.84 1tei h LEU 99 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1tei h LEU 99 CO 0.00 1.12 -0.47 -0.31 -0.34 0.00 0.00 178.44 178.44 1tei s TYR 100 N -3.86 3.35 0.35 1.25 2.02 -1.26 -4.89 117.35 114.31 1tei s TYR 100 Ca -0.08 -0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 1tei s TYR 100 Cb 0.11 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1tei s TYR 100 CO 0.85 0.48 0.25 -1.59 -1.57 0.00 0.00 175.55 173.98 1tei s LYS 101 N -3.70 1.82 -0.21 -0.62 0.00 -1.25 -4.55 119.74 111.22 1tei s LYS 101 Ca 0.34 -2.07 -0.33 0.00 0.00 0.00 0.00 55.97 53.90 1tei s LYS 101 Cb -0.09 0.11 0.15 0.00 0.00 0.00 0.00 37.83 38.00 1tei s LYS 101 CO 0.27 -0.62 1.23 -1.83 0.00 0.00 0.00 175.35 174.40 1tei s GLU 102 N -3.49 0.27 0.24 1.78 -1.05 -1.10 -3.45 118.70 111.90 1tei s GLU 102 Ca 0.36 -0.05 -0.24 0.00 -0.15 0.00 0.00 54.97 54.89 1tei s GLU 102 Cb 0.02 0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.75 1tei s GLU 102 CO 0.25 -0.11 0.83 0.95 0.95 0.00 0.00 175.26 178.14 1tei s THR 103 N -1.94 4.34 -0.58 1.83 -4.23 0.71 -4.78 115.64 110.98 1tei s THR 103 Ca 0.08 1.66 0.06 0.00 -1.18 0.00 0.00 61.69 62.31 1tei s THR 103 Cb -0.01 -4.03 0.31 0.00 1.34 0.00 0.00 72.50 70.11 1tei s THR 103 CO -0.05 0.30 0.86 0.59 -0.54 0.00 0.00 174.62 175.79 1tei n ASN 104 N 0.98 3.93 -4.70 3.99 4.13 -1.26 -3.64 115.26 118.68 1tei n ASN 104 Ca -0.02 -3.54 -0.42 0.00 1.68 0.00 0.00 54.58 52.28 1tei n ASN 104 Cb 0.50 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 38.10 1tei n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1tei s THR 105 N -3.63 4.89 -0.26 3.41 2.01 -1.10 -2.33 115.64 118.63 1tei s THR 105 Ca 0.45 1.89 -0.07 0.00 0.31 0.00 0.00 61.69 64.27 1tei s THR 105 Cb 0.24 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1tei s THR 105 CO -0.09 0.13 0.05 -0.63 -0.69 0.00 0.00 174.62 173.39 1tei s ILE 106 N 1.32 4.03 -0.24 1.82 -1.09 0.05 -0.95 121.20 126.14 1tei s ILE 106 Ca 0.47 -0.39 0.23 0.00 -2.23 0.00 0.00 60.65 58.72 1tei s ILE 106 Cb -0.19 -2.93 -0.07 0.00 -1.58 0.00 0.00 42.46 37.69 1tei s ILE 106 CO 0.22 0.27 0.95 0.18 -1.23 0.00 0.00 174.94 175.34 1tei n LEU 107 N 4.88 0.67 -3.53 2.97 4.32 -0.17 -1.48 117.00 124.67 1tei n LEU 107 Ca -0.16 0.24 -0.11 0.00 -0.02 0.00 0.00 56.01 55.96 1tei n LEU 107 Cb 0.50 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 42.21 1tei n LEU 107 CO 0.31 -0.13 0.66 -0.94 -1.22 0.00 0.00 177.39 176.06 1tei s SER 108 N -5.05 -0.43 -0.22 -1.43 1.04 -1.24 -4.48 113.70 101.89 1tei s SER 108 Ca -0.01 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.52 1tei s SER 108 Cb 0.11 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1tei s SER 108 CO 0.81 -0.54 0.56 0.86 0.98 0.00 0.00 173.24 175.91 1tei s TRP 109 N -2.11 -0.73 0.02 5.02 -0.00 -0.01 -2.02 118.94 119.12 1tei s TRP 109 Ca -0.00 1.63 -0.02 0.00 -0.00 0.00 0.00 56.10 57.70 1tei s TRP 109 Cb -0.01 0.33 -0.01 0.00 -0.00 0.00 0.00 33.47 33.78 1tei s TRP 109 CO -0.02 -0.37 0.02 -1.54 -0.00 0.00 0.00 176.95 175.04 1tei s SER 110 N 0.88 0.18 -0.09 5.86 1.04 0.88 -0.41 113.70 122.04 1tei s SER 110 Ca -0.05 -0.43 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 1tei s SER 110 Cb -0.05 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1tei s SER 110 CO -0.07 -0.34 0.26 0.12 0.98 0.00 0.00 173.24 174.19 1tei s PHE 111 N -1.56 -0.27 -0.03 5.02 5.36 -0.47 -1.15 117.98 124.88 1tei s PHE 111 Ca -0.15 0.66 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1tei s PHE 111 Cb -0.08 0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.71 1tei s PHE 111 CO -0.01 -0.15 -0.01 0.99 -1.46 0.00 0.00 175.22 174.58 1tei s THR 112 N 0.05 0.25 -0.03 0.12 2.01 -0.01 -1.87 115.64 116.16 1tei s THR 112 Ca -0.01 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1tei s THR 112 Cb -0.02 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1tei s THR 112 CO 0.01 0.16 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.43 1tei s SER 113 N 0.95 1.45 -0.01 3.53 0.15 -0.17 -0.48 113.70 119.13 1tei s SER 113 Ca -0.10 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.33 1tei s SER 113 Cb -0.13 -0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 63.80 1tei s SER 113 CO -0.01 0.09 -0.05 -0.54 1.20 0.00 0.00 173.24 173.93 1tei s LYS 114 N 0.11 0.42 -0.10 5.44 1.02 0.27 -1.43 119.74 125.47 1tei s LYS 114 Ca -0.03 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.80 1tei s LYS 114 Cb -0.09 -0.41 0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1tei s LYS 114 CO 0.01 0.09 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.94 1tei s LEU 115 N -0.03 1.25 -0.23 3.17 1.43 0.10 -1.27 118.68 123.10 1tei s LEU 115 Ca 0.01 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1tei s LEU 115 Cb -0.03 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1tei s LEU 115 CO -0.00 -0.09 -0.06 -0.75 0.23 0.00 0.00 176.35 175.68 1tei s LYS 116 N 1.46 3.13 0.59 1.70 2.20 0.52 -0.50 119.74 128.85 1tei s LYS 116 Ca 0.00 -0.78 0.06 0.00 -0.36 0.00 0.00 55.97 54.89 1tei s LYS 116 Cb -0.13 -2.96 0.08 0.00 -1.51 0.00 0.00 37.83 33.31 1tei s LYS 116 CO -0.05 -0.28 0.81 0.45 -0.36 0.00 0.00 175.35 175.92 1tei s SER 117 N 1.40 5.01 -1.07 1.43 0.15 -1.05 0.68 113.70 120.25 1tei s SER 117 Ca 0.04 -0.61 -0.22 0.00 0.70 0.00 0.00 55.95 55.85 1tei s SER 117 Cb -0.15 0.00 -0.10 0.00 -1.71 0.00 0.00 66.02 64.06 1tei s SER 117 CO -0.05 -1.37 1.92 0.59 1.20 0.00 0.00 173.24 175.53 1tei n ASN 118 N -2.34 2.98 -3.72 5.45 4.13 -1.21 -4.71 115.26 115.85 1tei n ASN 118 Ca 0.14 -2.70 -0.03 0.00 1.68 0.00 0.00 54.58 53.67 1tei n ASN 118 Cb 0.61 -1.55 -0.01 0.00 -1.54 0.00 0.00 39.78 37.28 1tei n ASN 118 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1tei s SER 119 N 5.94 -0.17 -0.32 6.41 0.01 -1.26 -5.10 113.70 119.22 1tei s SER 119 Ca 0.65 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.28 1tei s SER 119 Cb 0.04 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.72 1tei s SER 119 CO 0.13 -0.79 1.08 0.42 0.41 0.00 0.00 173.24 174.49 1tei s THR 120 N -3.14 4.50 -0.24 1.44 -4.23 -1.26 -3.89 115.64 108.81 1tei s THR 120 Ca 0.12 1.73 0.00 0.00 -1.18 0.00 0.00 61.69 62.36 1tei s THR 120 Cb -0.00 -4.41 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1tei s THR 120 CO 0.01 -0.48 0.00 1.57 -0.54 0.00 0.00 174.62 175.18 1tei n HIS 121 N 6.89 -0.03 -2.66 3.99 -0.00 -1.26 -4.84 115.22 117.31 1tei n HIS 121 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.42 1tei n HIS 121 Cb 0.47 -1.87 -0.01 0.00 -0.00 0.00 0.00 29.99 28.57 1tei n HIS 121 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1tei s GLU 122 N -1.84 3.81 -0.07 1.57 2.02 -1.25 -4.91 118.70 118.02 1tei s GLU 122 Ca 0.00 -1.73 0.04 0.00 0.02 0.00 0.00 54.97 53.31 1tei s GLU 122 Cb 0.00 -5.34 -0.01 0.00 0.10 0.00 0.00 34.13 28.87 1tei s GLU 122 CO 0.00 -2.12 -0.21 0.99 0.02 0.00 0.00 175.26 173.94 1tei s THR 123 N 3.99 2.44 -0.09 3.63 2.01 -1.26 -2.54 115.64 123.82 1tei s THR 123 Ca 0.47 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 1tei s THR 123 Cb 0.01 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1tei s THR 123 CO -0.02 0.57 0.00 0.20 -0.69 0.00 0.00 174.62 174.68 1tei s ASN 124 N -0.17 5.25 0.07 3.53 -0.87 0.35 -4.95 114.94 118.16 1tei s ASN 124 Ca -0.02 0.14 -0.09 0.00 -1.57 0.00 0.00 52.86 51.32 1tei s ASN 124 Cb -0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 41.25 39.59 1tei s ASN 124 CO 0.04 0.37 0.19 0.00 -2.57 0.00 0.00 177.10 175.13 1tei s ALA 125 N -0.82 -0.29 -0.03 0.60 0.00 -1.26 -0.72 121.76 119.23 1tei s ALA 125 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1tei s ALA 125 Cb -0.11 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1tei s ALA 125 CO 0.02 -0.46 0.08 -1.17 0.00 0.00 0.00 175.76 174.23 1tei s LEU 126 N -2.57 1.33 -0.14 0.00 2.96 -0.52 -5.00 118.68 114.75 1tei s LEU 126 Ca 0.01 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.00 1tei s LEU 126 Cb 0.03 0.19 0.05 0.00 0.50 0.00 0.00 46.19 46.95 1tei s LEU 126 CO -0.08 -0.08 0.33 -2.28 -1.32 0.00 0.00 176.35 172.91 1tei s HIS 127 N 0.57 -0.46 0.01 5.38 5.65 -1.26 -1.00 115.29 124.19 1tei s HIS 127 Ca -0.04 1.03 0.01 0.00 0.25 0.00 0.00 55.06 56.31 1tei s HIS 127 Cb -0.06 0.16 -0.01 0.00 -1.18 0.00 0.00 32.58 31.48 1tei s HIS 127 CO -0.02 -0.28 -0.05 -0.59 -0.65 0.00 0.00 174.74 173.15 1tei s PHE 128 N 1.28 0.41 -0.07 3.88 -0.12 -0.78 -5.01 117.98 117.57 1tei s PHE 128 Ca -0.09 -0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 56.49 1tei s PHE 128 Cb -0.09 -0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.08 1tei s PHE 128 CO -0.10 -0.06 0.12 1.41 -0.05 0.00 0.00 175.22 176.54 1tei s MET 129 N -0.77 0.00 -0.21 1.99 1.75 -1.26 -1.37 119.30 119.44 1tei s MET 129 Ca -0.05 0.47 -0.02 0.00 -1.25 0.00 0.00 55.69 54.84 1tei s MET 129 Cb -0.05 -0.33 0.01 0.00 2.84 0.00 0.00 34.83 37.29 1tei s MET 129 CO -0.00 -0.29 -0.11 -0.06 -0.65 0.00 0.00 175.02 173.91 1tei s PHE 130 N 2.07 2.90 -0.71 4.11 0.08 0.45 -4.93 117.98 121.94 1tei s PHE 130 Ca 0.02 -1.30 0.07 0.00 0.12 0.00 0.00 56.93 55.84 1tei s PHE 130 Cb -0.12 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1tei s PHE 130 CO -0.05 -0.68 0.56 0.09 -0.10 0.00 0.00 175.22 175.05 1tei n ASN 131 N 4.71 1.12 -3.67 1.36 3.02 -1.26 -0.83 115.26 119.71 1tei n ASN 131 Ca -0.19 -1.06 -0.12 0.00 -0.03 0.00 0.00 54.58 53.18 1tei n ASN 131 Cb 0.50 0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.98 1tei n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1tei s GLN 132 N -1.04 0.65 -0.05 3.52 0.74 -1.26 -4.78 119.66 117.44 1tei s GLN 132 Ca 0.06 0.87 0.03 0.00 0.05 0.00 0.00 55.36 56.38 1tei s GLN 132 Cb 0.06 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.41 1tei s GLN 132 CO 0.17 -0.10 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.60 1tei s PHE 133 N 0.63 2.70 0.40 1.67 0.08 -0.27 -5.03 117.98 118.16 1tei s PHE 133 Ca -0.03 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 56.90 1tei s PHE 133 Cb -0.05 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1tei s PHE 133 CO -0.04 0.15 0.52 -1.54 -0.10 0.00 0.00 175.22 174.21 1tei s SER 134 N -0.65 5.65 0.28 1.36 1.04 -1.26 -3.95 113.70 116.18 1tei s SER 134 Ca 0.10 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 1tei s SER 134 Cb -0.11 -0.78 0.38 0.00 0.10 0.00 0.00 66.02 65.61 1tei s SER 134 CO 0.01 -0.67 1.95 0.50 0.98 0.00 0.00 173.24 176.02 1tei h LYS 135 N 0.75 1.17 -3.31 4.02 3.64 -1.87 -3.25 116.57 117.73 1tei h LYS 135 Ca -0.41 -0.07 -0.66 0.00 -1.27 0.00 0.00 60.65 58.24 1tei h LYS 135 Cb 1.27 -0.26 -0.39 0.00 -0.41 0.00 0.00 32.23 32.44 1tei h LYS 135 CO 0.48 0.77 -0.45 0.34 -2.27 0.00 0.00 179.45 178.32 1tei s ASP 136 N -6.24 4.99 -1.14 4.20 2.15 -1.26 -4.73 116.67 114.64 1tei s ASP 136 Ca -0.12 -3.40 -0.14 0.00 0.43 0.00 0.00 52.55 49.32 1tei s ASP 136 Cb 0.18 -1.73 0.19 0.00 -0.30 0.00 0.00 42.92 41.25 1tei s ASP 136 CO 0.80 -0.20 1.32 -1.58 -0.17 0.00 0.00 175.17 175.34 1tei s GLN 137 N -0.84 4.03 0.53 4.34 2.00 -1.23 -4.90 119.66 123.58 1tei s GLN 137 Ca 0.22 -2.59 0.32 0.00 -2.00 0.00 0.00 55.36 51.31 1tei s GLN 137 Cb -0.14 -4.93 1.74 0.00 0.80 0.00 0.00 33.01 30.47 1tei s GLN 137 CO -0.09 -1.66 1.97 0.87 -0.50 0.00 0.00 175.29 175.88 1tei h LYS 138 N 7.30 0.00 -0.67 1.67 1.57 -1.94 -2.06 116.57 122.43 1tei h LYS 138 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1tei h LYS 138 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1tei h LYS 138 CO 1.17 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.65 1tei n ASP 139 N -2.69 3.84 -4.27 0.86 5.68 -1.26 -4.88 116.55 113.84 1tei n ASP 139 Ca -0.02 -2.10 -0.30 0.00 -0.50 0.00 0.00 54.79 51.87 1tei n ASP 139 Cb 0.14 -0.48 -0.16 0.00 -1.14 0.00 0.00 41.12 39.48 1tei n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1tei s LEU 140 N -1.18 2.04 -0.41 -2.12 1.43 -0.78 -0.64 118.68 117.02 1tei s LEU 140 Ca 0.46 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1tei s LEU 140 Cb 0.25 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 45.27 1tei s LEU 140 CO 0.29 0.28 0.27 -0.63 0.23 0.00 0.00 176.35 176.79 1tei s ILE 141 N -0.45 4.64 -0.01 -0.59 1.01 0.52 -4.85 121.20 121.48 1tei s ILE 141 Ca 0.06 -1.07 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 1tei s ILE 141 Cb -0.10 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1tei s ILE 141 CO 0.00 -0.40 0.58 -0.76 0.00 0.00 0.00 174.94 174.36 1tei s LEU 142 N 1.54 4.41 0.12 2.97 1.43 -1.26 -1.38 118.68 126.50 1tei s LEU 142 Ca 0.03 1.13 0.07 0.00 -1.03 0.00 0.00 54.13 54.33 1tei s LEU 142 Cb -0.21 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1tei s LEU 142 CO 0.05 0.10 -0.17 -1.10 0.23 0.00 0.00 176.35 175.46 1tei s GLN 143 N -0.18 1.09 6.38 1.70 -0.21 -0.25 -5.00 119.66 123.19 1tei s GLN 143 Ca 0.30 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1tei s GLN 143 Cb -0.18 -1.16 0.00 0.00 1.00 0.00 0.00 33.01 32.67 1tei s GLN 143 CO 0.17 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 1tei n GLY 144 N 0.76 2.67 0.36 3.09 0.00 -1.26 -1.95 105.19 108.85 1tei n GLY 144 Ca -0.17 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.54 1tei n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tei n ASP 145 N 3.07 1.07 -4.73 1.61 8.00 0.15 -4.93 116.55 120.80 1tei n ASP 145 Ca 0.00 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.31 1tei n ASP 145 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1tei n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tei s ALA 146 N -1.80 3.60 0.04 2.24 0.00 -1.07 -4.18 121.76 120.60 1tei s ALA 146 Ca 0.23 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 1tei s ALA 146 Cb 0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1tei s ALA 146 CO 0.18 -0.64 0.04 0.95 0.00 0.00 0.00 175.76 176.29 1tei s THR 147 N 0.49 0.16 0.35 0.00 -4.23 -0.26 -4.72 115.64 107.43 1tei s THR 147 Ca 0.61 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1tei s THR 147 Cb -0.39 -1.07 -0.07 0.00 1.34 0.00 0.00 72.50 72.32 1tei s THR 147 CO 0.36 -0.74 0.03 0.42 -0.54 0.00 0.00 174.62 174.16 1tei s THR 148 N -3.03 1.51 0.00 3.99 -4.23 -1.26 -0.65 115.64 111.97 1tei s THR 148 Ca -0.01 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1tei s THR 148 Cb 0.01 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1tei s THR 148 CO -0.07 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1tei n GLY 149 N -0.78 2.99 3.55 3.99 0.00 -1.06 -4.48 105.19 109.40 1tei n GLY 149 Ca -0.03 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1tei n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tei s THR 150 N -1.63 3.10 -0.79 2.61 2.01 -1.26 -1.92 115.64 117.76 1tei s THR 150 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1tei s THR 150 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1tei s THR 150 CO 0.00 -0.25 0.00 0.47 -0.69 0.00 0.00 174.62 174.15 1tei n ASP 151 N 15.36 -4.50 0.00 3.53 8.00 -1.26 -2.42 116.55 135.25 1tei n ASP 151 Ca 0.34 0.18 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1tei n ASP 151 Cb 0.53 -2.66 0.00 0.00 -0.02 0.00 0.00 41.12 38.98 1tei n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tei n GLY 152 N -1.27 0.44 3.84 0.44 0.00 -0.81 -4.99 105.19 102.84 1tei n GLY 152 Ca -0.07 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1tei n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tei s ASN 153 N -2.68 4.78 -0.29 1.61 0.01 -1.02 -1.11 114.94 116.24 1tei s ASN 153 Ca 0.00 -0.95 -0.03 0.00 -0.71 0.00 0.00 52.86 51.17 1tei s ASN 153 Cb 0.00 -0.33 0.04 0.00 0.41 0.00 0.00 41.25 41.36 1tei s ASN 153 CO 0.00 -0.72 0.01 -0.22 -1.51 0.00 0.00 177.10 174.66 1tei s LEU 154 N -4.10 3.78 -0.50 0.60 2.96 -0.55 -2.55 118.68 118.32 1tei s LEU 154 Ca 0.43 -1.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.07 1tei s LEU 154 Cb -0.01 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 45.00 1tei s LEU 154 CO 0.25 -0.23 0.59 -1.61 -1.32 0.00 0.00 176.35 174.03 1tei s GLU 155 N 1.32 3.10 0.11 1.98 0.41 0.17 -0.77 118.70 125.03 1tei s GLU 155 Ca -0.03 -0.95 -0.17 0.00 -0.41 0.00 0.00 54.97 53.41 1tei s GLU 155 Cb -0.19 -4.10 -0.05 0.00 -1.78 0.00 0.00 34.13 28.02 1tei s GLU 155 CO -0.01 -1.19 1.56 -0.07 -0.49 0.00 0.00 175.26 175.07 1tei h LEU 156 N 9.56 0.55 -9.44 1.80 3.38 -1.73 -0.67 115.31 118.76 1tei h LEU 156 Ca -0.28 -0.29 -0.59 0.00 0.09 0.00 0.00 57.88 56.81 1tei h LEU 156 Cb 1.10 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 1tei h LEU 156 CO 0.95 0.71 -0.68 0.42 0.09 0.00 0.00 178.44 179.93 1tei s THR 157 N -5.07 3.38 0.01 0.22 -4.23 -1.26 -2.58 115.64 106.10 1tei s THR 157 Ca -0.13 -1.73 -0.36 0.00 -1.18 0.00 0.00 61.69 58.29 1tei s THR 157 Cb 0.09 -2.73 -0.15 0.00 1.34 0.00 0.00 72.50 71.05 1tei s THR 157 CO 0.77 -0.22 1.56 -1.14 -0.54 0.00 0.00 174.62 175.05 1tei n ARG 158 N -0.36 1.56 -4.36 3.99 3.00 -1.26 -4.73 116.66 114.50 1tei n ARG 158 Ca -0.09 0.57 -0.21 0.00 -0.00 0.00 0.00 57.85 58.12 1tei n ARG 158 Cb 0.57 -2.28 -0.16 0.00 0.00 0.00 0.00 32.46 30.59 1tei n ARG 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1tei s VAL 159 N 1.74 0.77 0.89 5.15 1.01 -1.26 -1.73 120.40 126.97 1tei s VAL 159 Ca 0.87 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1tei s VAL 159 Cb -0.87 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 34.91 1tei s VAL 159 CO 0.49 0.26 1.14 -0.94 0.00 0.00 0.00 175.10 176.05 1tei s SER 160 N 0.54 3.73 0.26 3.32 1.04 -0.43 -4.91 113.70 117.25 1tei s SER 160 Ca -0.09 0.96 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 1tei s SER 160 Cb -0.12 -1.54 0.51 0.00 0.10 0.00 0.00 66.02 64.97 1tei s SER 160 CO 0.01 -2.41 1.73 0.77 0.98 0.00 0.00 173.24 174.32 1tei h SER 161 N -1.40 0.36 0.49 7.02 4.64 -2.01 0.53 113.55 123.17 1tei h SER 161 Ca -0.50 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1tei h SER 161 Cb 1.33 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1tei h SER 161 CO 0.62 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.25 1tei n ASN 162 N -4.97 0.41 0.00 4.97 0.23 -1.26 -4.88 115.26 109.76 1tei n ASN 162 Ca 0.16 0.62 0.00 0.00 -0.53 0.00 0.00 54.58 54.83 1tei n ASN 162 Cb 0.45 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 1tei n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tei n GLY 163 N -0.33 0.99 3.61 4.83 0.00 0.18 -5.11 105.19 109.37 1tei n GLY 163 Ca 0.02 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1tei n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tei s SER 164 N -2.01 4.78 0.50 1.61 1.04 -1.25 -4.87 113.70 113.49 1tei s SER 164 Ca 0.00 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1tei s SER 164 Cb 0.00 -1.21 -0.06 0.00 0.10 0.00 0.00 66.02 64.85 1tei s SER 164 CO 0.00 0.34 1.20 -2.16 0.98 0.00 0.00 173.24 173.60 1tei s PRO 165 N -1.04 3.52 0.08 4.02 0.04 -1.26 -1.31 135.00 139.04 1tei s PRO 165 Ca 0.14 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.07 1tei s PRO 165 Cb -0.11 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1tei s PRO 165 CO 0.04 -0.77 0.06 -0.65 0.04 0.00 0.00 177.00 175.71 1tei s GLN 166 N -2.86 2.80 0.74 4.56 -1.52 -0.70 -4.85 119.66 117.82 1tei s GLN 166 Ca 0.67 -0.72 -0.07 0.00 -1.95 0.00 0.00 55.36 53.29 1tei s GLN 166 Cb -0.31 -2.68 0.08 0.00 -0.22 0.00 0.00 33.01 29.89 1tei s GLN 166 CO 0.36 0.56 1.05 0.20 -0.25 0.00 0.00 175.29 177.22 1tei s GLY 167 N -2.34 1.70 -1.39 3.09 0.00 -1.26 -4.40 107.32 102.72 1tei s GLY 167 Ca 0.28 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.93 1tei s GLY 167 CO 0.21 -0.55 0.39 1.44 0.00 0.00 0.00 173.10 174.59 1tei n SER 168 N -3.02 -0.94 -4.29 1.64 7.64 0.31 -4.87 113.62 110.09 1tei n SER 168 Ca 0.09 -1.09 -0.27 0.00 1.01 0.00 0.00 58.87 58.61 1tei n SER 168 Cb 0.60 -2.67 -0.14 0.00 -1.01 0.00 0.00 64.21 61.00 1tei n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1tei s SER 169 N -4.20 2.74 -0.01 6.43 0.15 -1.18 -4.94 113.70 112.70 1tei s SER 169 Ca 0.10 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 1tei s SER 169 Cb -0.04 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1tei s SER 169 CO 0.92 0.18 0.05 0.68 1.20 0.00 0.00 173.24 176.26 1tei s VAL 170 N -0.86 0.05 -0.11 4.45 -7.23 -1.26 -1.03 120.40 114.41 1tei s VAL 170 Ca 0.09 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 1tei s VAL 170 Cb -0.09 -0.20 0.10 0.00 0.56 0.00 0.00 36.38 36.74 1tei s VAL 170 CO 0.02 -0.22 0.83 -0.83 -0.31 0.00 0.00 175.10 174.60 1tei s GLY 171 N -0.67 -0.43 0.10 2.32 0.00 -0.98 0.35 107.32 108.01 1tei s GLY 171 Ca -0.07 1.69 -0.05 0.00 0.00 0.00 0.00 44.72 46.28 1tei s GLY 171 CO 0.00 1.03 0.13 0.50 0.00 0.00 0.00 173.10 174.75 1tei s ARG 172 N -1.09 0.86 -0.10 2.90 0.52 -0.82 -1.81 118.95 119.41 1tei s ARG 172 Ca -0.06 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 53.95 1tei s ARG 172 Cb -0.00 0.30 0.05 0.00 0.52 0.00 0.00 34.95 35.82 1tei s ARG 172 CO 0.06 -0.26 0.19 0.00 0.02 0.00 0.00 175.30 175.31 1tei s ALA 173 N -3.93 -0.27 0.06 2.13 0.00 -0.41 -1.09 121.76 118.24 1tei s ALA 173 Ca 0.12 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.80 1tei s ALA 173 Cb 0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1tei s ALA 173 CO -0.06 -0.63 -0.20 -0.51 0.00 0.00 0.00 175.76 174.36 1tei s LEU 174 N 2.33 2.52 0.23 0.00 1.02 -0.48 -1.10 118.68 123.20 1tei s LEU 174 Ca 0.03 -0.49 -0.30 0.00 0.02 0.00 0.00 54.13 53.39 1tei s LEU 174 Cb -0.12 -1.46 -0.09 0.00 0.02 0.00 0.00 46.19 44.54 1tei s LEU 174 CO -0.07 0.24 1.24 0.12 0.02 0.00 0.00 176.35 177.90 1tei s PHE 175 N -0.94 3.32 0.16 0.29 5.36 -0.61 -0.35 117.98 125.21 1tei s PHE 175 Ca 0.14 1.39 -0.21 0.00 -0.96 0.00 0.00 56.93 57.30 1tei s PHE 175 Cb -0.10 -3.51 0.06 0.00 -0.34 0.00 0.00 43.02 39.12 1tei s PHE 175 CO 0.05 -1.46 1.63 -0.92 -1.46 0.00 0.00 175.22 173.06 1tei h TYR 176 N 4.74 -0.58 -3.78 10.12 3.20 -1.20 -3.43 116.97 126.04 1tei h TYR 176 Ca -0.46 0.04 -0.50 0.00 3.14 0.00 0.00 58.73 60.95 1tei h TYR 176 Cb 1.22 0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.80 1tei h TYR 176 CO 0.60 -0.30 0.45 0.00 -1.64 0.00 0.00 178.16 177.27 1tei s ALA 177 N -6.11 3.39 0.58 1.82 0.00 -1.26 -5.02 121.76 115.17 1tei s ALA 177 Ca -0.15 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 1tei s ALA 177 Cb 0.13 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1tei s ALA 177 CO 0.69 -0.08 1.15 -2.14 0.00 0.00 0.00 175.76 175.37 1tei s PRO 178 N -1.34 3.13 -0.11 0.00 0.02 -1.26 -4.80 135.00 130.64 1tei s PRO 178 Ca 0.44 1.64 0.02 0.00 0.02 0.00 0.00 61.00 63.11 1tei s PRO 178 Cb -0.31 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 1tei s PRO 178 CO 0.39 -1.04 -0.16 0.08 -0.33 0.00 0.00 177.00 175.94 1tei s VAL 179 N -1.82 2.82 -0.96 3.83 1.01 0.15 -4.93 120.40 120.50 1tei s VAL 179 Ca 0.73 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 1tei s VAL 179 Cb -0.25 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.09 1tei s VAL 179 CO 0.31 0.54 1.22 -2.28 0.00 0.00 0.00 175.10 174.90 1tei s HIS 180 N 0.13 2.97 0.32 5.22 2.46 -1.26 -0.80 115.29 124.34 1tei s HIS 180 Ca -0.08 -1.26 0.16 0.00 0.47 0.00 0.00 55.06 54.34 1tei s HIS 180 Cb -0.15 -4.40 0.79 0.00 -0.13 0.00 0.00 32.58 28.69 1tei s HIS 180 CO 0.05 -1.61 1.82 0.97 -2.47 0.00 0.00 174.74 173.51 1tei h ILE 181 N 6.06 1.10 -3.07 0.89 6.09 -1.69 -3.47 117.51 123.41 1tei h ILE 181 Ca 0.17 -1.30 -0.00 0.00 -1.37 0.00 0.00 64.86 62.37 1tei h ILE 181 Cb 1.02 1.73 -0.10 0.00 0.47 0.00 0.00 36.82 39.94 1tei h ILE 181 CO 1.20 0.35 0.17 -1.66 -3.07 0.00 0.00 178.15 175.14 1tei s TRP 182 N -4.01 -0.36 -0.20 2.19 1.48 -1.22 -4.81 118.94 112.00 1tei s TRP 182 Ca -0.02 0.06 -0.19 0.00 -1.06 0.00 0.00 56.10 54.90 1tei s TRP 182 Cb 0.13 0.55 0.05 0.00 -1.16 0.00 0.00 33.47 33.05 1tei s TRP 182 CO 0.70 -0.95 0.54 -2.00 -4.06 0.00 0.00 176.95 171.19 1tei s GLU 183 N -3.82 0.64 0.55 3.25 2.12 -1.26 -4.77 118.70 115.41 1tei s GLU 183 Ca 0.05 0.75 0.24 0.00 0.36 0.00 0.00 54.97 56.37 1tei s GLU 183 Cb -0.02 0.31 1.50 0.00 0.26 0.00 0.00 34.13 36.18 1tei s GLU 183 CO -0.06 -0.08 2.11 0.66 -0.54 0.00 0.00 175.26 177.35 1tei h SER 184 N 5.27 0.00 -0.45 -1.70 4.64 -2.02 -2.30 113.55 116.99 1tei h SER 184 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1tei h SER 184 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1tei h SER 184 CO 0.16 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.92 1tei n SER 185 N -4.17 4.13 -4.70 4.97 7.64 -1.26 -4.94 113.62 115.29 1tei n SER 185 Ca 0.01 -2.52 -0.38 0.00 1.01 0.00 0.00 58.87 56.99 1tei n SER 185 Cb 0.28 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 1tei n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tei s ALA 186 N -2.06 3.53 0.02 -0.43 0.00 -0.87 -3.32 121.76 118.64 1tei s ALA 186 Ca 0.39 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1tei s ALA 186 Cb 0.28 -2.61 -0.16 0.00 0.00 0.00 0.00 23.12 20.63 1tei s ALA 186 CO 0.15 -0.11 1.28 0.28 0.00 0.00 0.00 175.76 177.36 1tei h VAL 187 N 4.84 1.38 -3.65 0.00 2.07 -0.04 -3.45 116.25 117.40 1tei h VAL 187 Ca -0.39 -1.46 -0.22 0.00 0.82 0.00 0.00 66.70 65.45 1tei h VAL 187 Cb 1.17 2.06 -0.28 0.00 -1.52 0.00 0.00 31.29 32.72 1tei h VAL 187 CO 0.74 0.42 -0.68 -0.69 0.02 0.00 0.00 177.57 177.38 1tei s VAL 188 N -4.05 -0.00 -0.01 2.57 1.01 -1.14 -4.84 120.40 113.93 1tei s VAL 188 Ca -0.14 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1tei s VAL 188 Cb 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.38 1tei s VAL 188 CO 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 175.10 175.84 1tei s ALA 189 N 0.05 0.28 0.05 5.51 0.00 -1.26 -0.35 121.76 126.03 1tei s ALA 189 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 51.96 51.72 1tei s ALA 189 Cb -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1tei s ALA 189 CO -0.00 0.00 0.56 -1.54 0.00 0.00 0.00 175.76 174.79 1tei s SER 190 N 0.42 -0.50 0.10 0.00 1.04 -0.40 0.25 113.70 114.61 1tei s SER 190 Ca -0.04 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 1tei s SER 190 Cb -0.07 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1tei s SER 190 CO -0.01 -0.74 0.10 0.72 0.98 0.00 0.00 173.24 174.29 1tei s PHE 191 N -2.45 0.51 -0.14 5.02 -0.12 -0.82 -0.56 117.98 119.42 1tei s PHE 191 Ca -0.05 -0.95 -0.12 0.00 -0.05 0.00 0.00 56.93 55.76 1tei s PHE 191 Cb -0.01 -0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1tei s PHE 191 CO -0.02 -0.52 0.37 -2.00 -0.05 0.00 0.00 175.22 173.00 1tei s GLU 192 N -3.95 0.41 0.03 1.99 2.12 0.37 -2.34 118.70 117.33 1tei s GLU 192 Ca 0.13 0.56 0.02 0.00 0.36 0.00 0.00 54.97 56.05 1tei s GLU 192 Cb 0.06 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 1tei s GLU 192 CO -0.05 -0.08 -0.08 0.00 -0.54 0.00 0.00 175.26 174.51 1tei s ALA 193 N 0.48 0.60 -0.08 6.30 0.00 -0.10 -0.83 121.76 128.13 1tei s ALA 193 Ca -0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1tei s ALA 193 Cb -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1tei s ALA 193 CO -0.02 0.03 0.24 0.99 0.00 0.00 0.00 175.76 176.99 1tei s THR 194 N -1.08 0.01 -0.11 0.00 2.01 -0.30 -0.92 115.64 115.25 1tei s THR 194 Ca -0.06 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 1tei s THR 194 Cb -0.08 -0.37 0.06 0.00 0.01 0.00 0.00 72.50 72.12 1tei s THR 194 CO 0.00 -0.06 0.61 0.72 -0.69 0.00 0.00 174.62 175.21 1tei s PHE 195 N -0.12 -0.60 -0.06 4.92 -0.12 -0.76 -0.08 117.98 121.15 1tei s PHE 195 Ca -0.02 1.20 0.01 0.00 -0.05 0.00 0.00 56.93 58.07 1tei s PHE 195 Cb -0.03 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 1tei s PHE 195 CO 0.01 -0.48 -0.08 0.95 -0.05 0.00 0.00 175.22 175.56 1tei s THR 196 N -0.67 3.57 0.26 -4.49 -4.23 -0.86 -0.90 115.64 108.32 1tei s THR 196 Ca -0.08 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1tei s THR 196 Cb -0.02 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 1tei s THR 196 CO 0.06 0.60 0.07 0.72 -0.54 0.00 0.00 174.62 175.53 1tei s PHE 197 N -0.79 1.59 -0.21 3.99 -0.71 -0.59 -1.00 117.98 120.26 1tei s PHE 197 Ca 0.12 -1.10 -0.04 0.00 -1.04 0.00 0.00 56.93 54.87 1tei s PHE 197 Cb -0.11 -0.95 0.08 0.00 -1.21 0.00 0.00 43.02 40.83 1tei s PHE 197 CO 0.01 -0.23 0.13 -1.17 -1.34 0.00 0.00 175.22 172.62 1tei s LEU 198 N -3.33 0.29 -0.35 -1.99 2.96 -0.12 -0.91 118.68 115.23 1tei s LEU 198 Ca 0.35 -0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 1tei s LEU 198 Cb 0.08 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.65 1tei s LEU 198 CO 0.13 -0.37 0.17 -0.63 -1.32 0.00 0.00 176.35 174.33 1tei s ILE 199 N 2.17 4.42 -0.05 6.68 1.01 -1.26 -2.71 121.20 131.46 1tei s ILE 199 Ca 0.05 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1tei s ILE 199 Cb -0.16 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1tei s ILE 199 CO -0.16 -0.12 -0.25 -0.75 0.00 0.00 0.00 174.94 173.65 1tei s LYS 200 N 1.54 2.41 -0.08 2.79 2.20 -1.24 0.14 119.74 127.50 1tei s LYS 200 Ca 0.02 -0.91 -0.05 0.00 -0.36 0.00 0.00 55.97 54.68 1tei s LYS 200 Cb -0.18 -2.11 0.04 0.00 -1.51 0.00 0.00 37.83 34.06 1tei s LYS 200 CO 0.06 0.43 0.20 0.45 -0.36 0.00 0.00 175.35 176.12 1tei s SER 201 N -0.28 -0.20 0.15 1.43 0.15 -1.26 -0.21 113.70 113.48 1tei s SER 201 Ca 0.00 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.04 1tei s SER 201 Cb -0.13 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1tei s SER 201 CO 0.02 -0.13 1.38 -0.65 1.20 0.00 0.00 173.24 175.06 1tei h PRO 202 N 6.86 0.42 -7.33 5.44 0.11 -1.98 -3.47 132.00 132.06 1tei h PRO 202 Ca -0.37 -0.38 -0.50 0.00 0.11 0.00 0.00 66.00 64.85 1tei h PRO 202 Cb 1.16 0.09 0.06 0.00 0.11 0.00 0.00 31.00 32.42 1tei h PRO 202 CO 0.39 1.03 0.40 0.16 -0.21 0.00 0.00 178.00 179.78 1tei s ASP 203 N -7.02 6.10 0.07 -2.05 1.47 -1.26 -5.04 116.67 108.94 1tei s ASP 203 Ca -0.06 1.49 -0.13 0.00 1.18 0.00 0.00 52.55 55.04 1tei s ASP 203 Cb 0.10 -2.48 -0.03 0.00 -0.34 0.00 0.00 42.92 40.16 1tei s ASP 203 CO 0.85 -0.95 1.23 0.77 0.68 0.00 0.00 175.17 177.75 1tei h SER 204 N -0.19 -0.91 -3.52 2.11 4.64 -1.96 -3.36 113.55 110.36 1tei h SER 204 Ca -0.44 0.14 -0.67 0.00 -0.47 0.00 0.00 61.79 60.34 1tei h SER 204 Cb 1.19 0.40 -0.34 0.00 -0.31 0.00 0.00 62.40 63.34 1tei h SER 204 CO 0.61 -0.10 -0.79 -1.00 -0.87 0.00 0.00 176.83 174.68 1tei s HIS 205 N -4.05 3.06 0.83 4.77 3.76 -1.26 -5.12 115.29 117.28 1tei s HIS 205 Ca -0.05 -1.82 -0.11 0.00 -0.15 0.00 0.00 55.06 52.93 1tei s HIS 205 Cb 0.05 -1.99 0.09 0.00 1.11 0.00 0.00 32.58 31.84 1tei s HIS 205 CO 0.26 -0.80 1.12 -2.14 -0.85 0.00 0.00 174.74 172.34 1tei s PRO 206 N 1.25 1.74 -0.07 8.40 0.02 -1.26 -4.66 135.00 140.42 1tei s PRO 206 Ca -0.02 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 1tei s PRO 206 Cb -0.17 -1.82 0.10 0.00 0.02 0.00 0.00 34.50 32.63 1tei s PRO 206 CO -0.07 -2.07 0.84 0.00 -0.33 0.00 0.00 177.00 175.38 1tei s ALA 207 N -2.71 -1.83 -0.03 -1.55 0.00 -1.22 -3.95 121.76 110.47 1tei s ALA 207 Ca 0.65 1.30 0.09 0.00 0.00 0.00 0.00 51.96 54.00 1tei s ALA 207 Cb -0.21 -0.14 -0.14 0.00 0.00 0.00 0.00 23.12 22.64 1tei s ALA 207 CO 0.55 -0.44 0.16 -0.25 0.00 0.00 0.00 175.76 175.79 1tei n ASP 208 N 0.52 2.78 0.00 0.00 9.92 -0.04 -2.72 116.55 127.01 1tei n ASP 208 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1tei n ASP 208 Cb 0.59 1.24 0.00 0.00 -0.64 0.00 0.00 41.12 42.31 1tei n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tei n GLY 209 N 2.09 2.66 3.36 0.44 0.00 -1.22 -2.43 105.19 110.09 1tei n GLY 209 Ca -0.05 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 1tei n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tei s ILE 210 N -1.87 2.02 -0.11 -0.61 1.01 -0.67 -2.79 121.20 118.20 1tei s ILE 210 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 1tei s ILE 210 Cb 0.00 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.59 1tei s ILE 210 CO 0.00 -0.18 0.33 0.00 0.00 0.00 0.00 174.94 175.09 1tei s ALA 211 N -1.72 -0.82 -0.17 9.38 0.00 0.72 0.02 121.76 129.17 1tei s ALA 211 Ca 0.16 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 1tei s ALA 211 Cb -0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1tei s ALA 211 CO 0.07 -0.18 0.08 0.12 0.00 0.00 0.00 175.76 175.86 1tei s PHE 212 N -0.10 3.33 0.14 0.00 5.36 -0.37 -0.24 117.98 126.10 1tei s PHE 212 Ca -0.03 0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 56.15 1tei s PHE 212 Cb -0.03 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 1tei s PHE 212 CO 0.01 0.30 0.07 -0.59 -1.46 0.00 0.00 175.22 173.55 1tei s PHE 213 N 0.06 0.88 -0.05 10.12 -0.12 0.03 -0.79 117.98 128.11 1tei s PHE 213 Ca 0.07 -1.24 0.02 0.00 -0.05 0.00 0.00 56.93 55.73 1tei s PHE 213 Cb -0.12 -0.48 0.01 0.00 -0.63 0.00 0.00 43.02 41.80 1tei s PHE 213 CO 0.00 -0.54 -0.10 0.42 -0.05 0.00 0.00 175.22 174.96 1tei s ILE 214 N -4.06 0.92 0.31 -4.49 1.01 -0.13 -0.96 121.20 113.80 1tei s ILE 214 Ca 0.26 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1tei s ILE 214 Cb 0.07 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 1tei s ILE 214 CO 0.03 0.30 0.46 -0.94 0.00 0.00 0.00 174.94 174.79 1tei s SER 215 N 0.53 0.53 0.53 3.58 1.04 -0.34 -2.29 113.70 117.29 1tei s SER 215 Ca -0.10 -1.31 -0.22 0.00 0.48 0.00 0.00 55.95 54.81 1tei s SER 215 Cb -0.13 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1tei s SER 215 CO 0.02 -1.23 1.31 0.54 0.98 0.00 0.00 173.24 174.86 1tei s ASN 216 N -3.16 5.43 0.28 7.02 4.22 -1.23 -0.87 114.94 126.63 1tei s ASN 216 Ca 0.28 2.65 -0.01 0.00 -2.14 0.00 0.00 52.86 53.65 1tei s ASN 216 Cb -0.00 -2.63 0.65 0.00 1.28 0.00 0.00 41.25 40.55 1tei s ASN 216 CO 0.16 -1.45 1.62 0.40 -2.04 0.00 0.00 177.10 175.79 1tei h ILE 217 N 1.48 0.22 -0.27 0.54 2.04 -1.85 -2.51 117.51 117.16 1tei h ILE 217 Ca -0.51 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1tei h ILE 217 Cb 1.29 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1tei h ILE 217 CO 0.58 0.02 0.01 -0.90 0.00 0.00 0.00 178.15 177.85 1tei n ASP 218 N -5.35 3.19 -4.74 1.72 5.75 -1.26 -4.86 116.55 110.99 1tei n ASP 218 Ca 0.20 -2.44 -0.35 0.00 -0.01 0.00 0.00 54.79 52.19 1tei n ASP 218 Cb 0.65 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 40.21 1tei n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1tei s SER 219 N -0.35 4.81 0.10 -1.12 0.15 -0.95 -5.05 113.70 111.31 1tei s SER 219 Ca 0.25 2.39 -0.15 0.00 0.70 0.00 0.00 55.95 59.14 1tei s SER 219 Cb 0.19 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1tei s SER 219 CO 0.07 -1.85 0.36 -0.94 1.20 0.00 0.00 173.24 172.09 1tei s SER 220 N -1.75 -0.18 0.01 5.45 1.04 -1.26 -5.08 113.70 111.93 1tei s SER 220 Ca 0.77 -0.32 -0.32 0.00 0.48 0.00 0.00 55.95 56.55 1tei s SER 220 Cb -0.30 0.44 -0.11 0.00 0.10 0.00 0.00 66.02 66.14 1tei s SER 220 CO 0.38 -0.79 1.88 -0.38 0.98 0.00 0.00 173.24 175.30 1tei n ILE 221 N -0.06 0.55 -2.09 -1.02 5.41 -1.26 -4.96 119.36 115.94 1tei n ILE 221 Ca -0.16 -0.10 -0.36 0.00 1.00 0.00 0.00 62.75 63.13 1tei n ILE 221 Cb 0.63 -2.02 0.02 0.00 -0.71 0.00 0.00 39.64 37.55 1tei n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1tei s PRO 222 N 3.67 3.21 0.22 0.38 0.02 -1.26 -4.95 135.00 136.29 1tei s PRO 222 Ca 0.88 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 1tei s PRO 222 Cb -0.58 -2.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.79 1tei s PRO 222 CO 0.45 -1.01 1.33 -1.12 -0.33 0.00 0.00 177.00 176.32 1tei s SER 223 N -1.52 6.86 -0.19 2.53 0.01 -1.26 -2.44 113.70 117.68 1tei s SER 223 Ca 0.73 2.46 0.00 0.00 1.31 0.00 0.00 55.95 60.45 1tei s SER 223 Cb -0.30 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1tei s SER 223 CO 0.33 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1tei n GLY 224 N 2.22 0.54 0.45 3.44 0.00 -1.26 -4.88 105.19 105.70 1tei n GLY 224 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1tei n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tei n SER 225 N 1.10 0.95 -3.81 1.61 3.41 -1.02 -4.82 113.62 111.04 1tei n SER 225 Ca -0.02 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.27 1tei n SER 225 Cb 0.08 -0.43 0.23 0.00 -0.26 0.00 0.00 64.21 63.83 1tei n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1tei s THR 226 N -1.19 1.80 0.00 6.66 -4.23 -1.26 -0.33 115.64 117.09 1tei s THR 226 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1tei s THR 226 Cb 0.01 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1tei s THR 226 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1tei n GLY 227 N -2.69 0.95 0.18 3.99 0.00 -0.27 -3.18 105.19 104.17 1tei n GLY 227 Ca 0.16 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1tei n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1tei h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.90 -2.06 114.38 112.14 1tei h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1tei h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1tei h ARG 228 CO 0.00 0.00 -0.03 1.28 0.10 0.00 0.00 179.97 181.32 1tei n LEU 229 N -2.01 0.37 -1.72 0.08 4.77 -1.19 -4.93 117.00 112.37 1tei n LEU 229 Ca -0.01 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.85 1tei n LEU 229 Cb 0.50 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1tei n LEU 229 CO 0.04 0.07 -0.10 0.18 -1.33 0.00 0.00 177.39 176.25 1tei n LEU 230 N -0.85 -0.73 -0.42 2.23 4.77 -0.77 -1.28 117.00 119.95 1tei n LEU 230 Ca 0.19 0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 1tei n LEU 230 Cb 0.22 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.64 1tei n LEU 230 CO 0.20 -0.33 -0.05 0.61 -1.33 0.00 0.00 177.39 176.49 1tei n GLY 231 N -0.38 0.69 0.08 -0.72 0.00 0.56 -4.07 105.19 101.34 1tei n GLY 231 Ca -0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1tei n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tei n LEU 232 N -0.62 2.91 -4.62 0.99 4.77 -0.41 -4.43 117.00 115.60 1tei n LEU 232 Ca -0.05 -0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 1tei n LEU 232 Cb 0.36 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1tei n LEU 232 CO 0.08 0.66 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.07 1tei s PHE 233 N -2.21 2.89 0.17 -1.77 0.08 -1.08 -4.78 117.98 111.27 1tei s PHE 233 Ca -0.14 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1tei s PHE 233 Cb 0.04 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 1tei s PHE 233 CO 0.24 0.42 1.39 -1.00 -0.10 0.00 0.00 175.22 176.17 1tei h PRO 234 N 4.02 0.18 -4.57 0.24 0.13 -1.91 -3.42 132.00 126.67 1tei h PRO 234 Ca -0.48 -0.20 -0.37 0.00 -0.87 0.00 0.00 66.00 64.08 1tei h PRO 234 Cb 1.17 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1tei h PRO 234 CO 0.55 0.93 -0.39 0.16 -0.23 0.00 0.00 178.00 179.02 1tei s ASP 235 N -6.92 1.20 -0.27 1.44 1.47 -1.26 -4.89 116.67 107.44 1tei s ASP 235 Ca -0.03 -1.60 0.09 0.00 1.18 0.00 0.00 52.55 52.19 1tei s ASP 235 Cb 0.10 0.57 0.68 0.00 -0.34 0.00 0.00 42.92 43.94 1tei s ASP 235 CO 0.82 -1.12 1.68 0.00 0.68 0.00 0.00 175.17 177.23 1tei n ALA 236 N -0.56 4.24 1.95 2.11 0.00 -1.26 -4.74 120.51 122.26 1tei n ALA 236 Ca 0.04 -1.98 0.16 0.00 0.00 0.00 0.00 53.44 51.66 1tei n ALA 236 Cb 0.62 -1.21 0.91 0.00 0.00 0.00 0.00 19.45 19.77 1tei n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59