#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 4.66 -0.29 0.00 1.01 -1.26 -5.00 116.67 115.79 1tei s ASP 2 Ca 0.00 2.26 -0.09 0.00 0.71 0.00 0.00 52.55 55.43 1tei s ASP 2 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1tei s ASP 2 CO 0.00 -1.94 0.14 -0.89 0.21 0.00 0.00 175.17 172.69 1tei s THR 3 N -2.00 4.63 -0.03 -1.27 2.01 -1.26 -5.03 115.64 112.69 1tei s THR 3 Ca 0.73 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.53 1tei s THR 3 Cb -0.27 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1tei s THR 3 CO 0.41 0.17 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.65 1tei s ILE 4 N 1.64 1.88 -0.12 1.82 -1.09 -1.26 -3.55 121.20 120.51 1tei s ILE 4 Ca 0.05 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1tei s ILE 4 Cb -0.16 -1.57 0.04 0.00 -1.58 0.00 0.00 42.46 39.18 1tei s ILE 4 CO 0.06 0.53 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.60 1tei s VAL 5 N -0.36 0.61 0.11 2.92 1.01 -0.96 -0.19 120.40 123.54 1tei s VAL 5 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1tei s VAL 5 Cb -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1tei s VAL 5 CO 0.01 0.15 0.07 0.00 0.00 0.00 0.00 175.10 175.33 1tei s ALA 6 N 1.86 0.56 -0.21 5.51 0.00 -0.55 -0.71 121.76 128.23 1tei s ALA 6 Ca 0.03 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1tei s ALA 6 Cb -0.14 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1tei s ALA 6 CO -0.07 -0.48 -0.11 0.08 0.00 0.00 0.00 175.76 175.18 1tei s VAL 7 N -3.99 1.75 -0.08 0.00 1.01 -0.07 -0.90 120.40 118.12 1tei s VAL 7 Ca 0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1tei s VAL 7 Cb 0.07 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1tei s VAL 7 CO -0.03 0.17 0.13 -1.83 0.00 0.00 0.00 175.10 173.54 1tei s GLU 8 N 1.35 3.35 -0.83 2.72 -1.05 0.01 -1.19 118.70 123.06 1tei s GLU 8 Ca -0.02 -0.23 -0.01 0.00 -0.15 0.00 0.00 54.97 54.55 1tei s GLU 8 Cb -0.16 -3.09 0.21 0.00 -0.44 0.00 0.00 34.13 30.64 1tei s GLU 8 CO -0.08 0.74 0.70 -0.51 0.95 0.00 0.00 175.26 177.05 1tei s LEU 9 N -1.27 5.45 -0.49 1.83 1.02 0.12 -1.15 118.68 124.19 1tei s LEU 9 Ca 0.18 -3.57 -0.29 0.00 0.02 0.00 0.00 54.13 50.47 1tei s LEU 9 Cb -0.12 -1.88 0.02 0.00 0.02 0.00 0.00 46.19 44.23 1tei s LEU 9 CO 0.08 -0.21 1.25 -0.62 0.02 0.00 0.00 176.35 176.87 1tei s ASP 10 N -0.08 6.46 0.11 2.29 -1.08 0.14 -1.65 116.67 122.85 1tei s ASP 10 Ca 0.25 0.46 0.17 0.00 -0.52 0.00 0.00 52.55 52.91 1tei s ASP 10 Cb -0.09 -2.55 -0.10 0.00 -1.46 0.00 0.00 42.92 38.72 1tei s ASP 10 CO -0.11 -1.40 0.95 0.71 0.52 0.00 0.00 175.17 175.84 1tei h THR 11 N 6.30 0.54 -3.34 1.71 1.35 -1.62 -1.18 112.91 116.66 1tei h THR 11 Ca -0.25 -1.99 -0.66 0.00 -0.55 0.00 0.00 66.41 62.96 1tei h THR 11 Cb 1.07 2.08 -0.29 0.00 -1.73 0.00 0.00 68.15 69.28 1tei h THR 11 CO 1.14 0.31 -0.74 -0.47 -0.25 0.00 0.00 175.52 175.50 1tei s TYR 12 N -2.95 2.93 -0.05 4.73 5.04 -1.19 -4.53 117.35 121.32 1tei s TYR 12 Ca -0.02 -1.02 -0.30 0.00 -2.44 0.00 0.00 57.07 53.29 1tei s TYR 12 Cb 0.09 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 1tei s TYR 12 CO 0.80 -0.57 1.10 -1.25 -1.34 0.00 0.00 175.55 174.29 1tei s PRO 13 N 1.39 4.42 -0.68 4.97 0.04 -1.26 -4.98 135.00 138.90 1tei s PRO 13 Ca 0.05 1.54 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1tei s PRO 13 Cb -0.14 -3.51 0.19 0.00 0.04 0.00 0.00 34.50 31.08 1tei s PRO 13 CO -0.04 -0.32 0.57 0.09 0.04 0.00 0.00 177.00 177.33 1tei n ASN 14 N 4.80 3.18 -0.24 6.66 4.13 -1.26 -4.95 115.26 127.58 1tei n ASN 14 Ca 0.09 -3.27 0.16 0.00 1.68 0.00 0.00 54.58 53.24 1tei n ASN 14 Cb 0.48 -0.73 0.46 0.00 -1.54 0.00 0.00 39.78 38.45 1tei n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1tei h THR 15 N 4.02 0.75 0.00 3.41 1.35 -1.85 -1.10 112.91 119.49 1tei h THR 15 Ca 0.17 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1tei h THR 15 Cb 0.73 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1tei h THR 15 CO 0.75 0.09 0.12 -2.24 -0.25 0.00 0.00 175.52 173.98 1tei h ASP 16 N 0.51 0.00 0.00 5.36 2.03 -1.92 -1.24 116.42 121.16 1tei h ASP 16 Ca 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1tei h ASP 16 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1tei h ASP 16 CO -0.18 0.00 -0.03 2.30 -1.03 0.00 0.00 179.24 180.30 1tei n ILE 17 N -2.43 1.45 0.00 4.15 -5.35 -0.45 -4.99 119.36 111.73 1tei n ILE 17 Ca -0.02 -1.67 0.00 0.00 -0.27 0.00 0.00 62.75 60.79 1tei n ILE 17 Cb 0.15 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.02 0.50 3.77 3.28 0.00 -0.47 -4.72 105.19 106.53 1tei n GLY 18 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 6.16 0.78 1.61 1.11 -0.99 -4.94 116.67 118.19 1tei s ASP 19 Ca 0.00 2.41 -0.11 0.00 0.18 0.00 0.00 52.55 55.03 1tei s ASP 19 Cb 0.00 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.44 1tei s ASP 19 CO 0.00 -0.93 1.08 -2.84 1.18 0.00 0.00 175.17 173.66 1tei s PRO 20 N -2.58 2.23 0.00 8.23 0.02 -1.26 -4.01 135.00 137.63 1tei s PRO 20 Ca 0.62 0.94 -0.02 0.00 0.02 0.00 0.00 61.00 62.57 1tei s PRO 20 Cb -0.31 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.20 1tei s PRO 20 CO 0.39 -1.60 2.33 -1.13 -0.33 0.00 0.00 177.00 176.66 1tei n SER 21 N -3.46 4.63 -3.55 2.53 3.41 -1.26 -4.58 113.62 111.34 1tei n SER 21 Ca 0.08 -2.28 -0.07 0.00 -0.26 0.00 0.00 58.87 56.34 1tei n SER 21 Cb 0.54 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.65 -0.27 0.35 7.33 -0.85 -1.26 -5.04 117.35 118.26 1tei s TYR 22 Ca 0.23 0.23 -0.29 0.00 -0.52 0.00 0.00 57.07 56.72 1tei s TYR 22 Cb 0.11 0.52 -0.12 0.00 0.38 0.00 0.00 41.96 42.85 1tei s TYR 22 CO 0.00 -0.39 1.47 -2.30 -1.52 0.00 0.00 175.55 172.81 1tei n PRO 23 N -0.03 2.54 -4.00 -3.49 -0.02 -1.26 -4.63 135.00 124.11 1tei n PRO 23 Ca -0.06 0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1tei n PRO 23 Cb 0.60 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.83 0.57 0.05 6.00 -3.43 -0.45 -1.03 115.29 116.17 1tei s HIS 24 Ca 0.57 -0.94 0.09 0.00 -0.80 0.00 0.00 55.06 53.97 1tei s HIS 24 Cb -0.51 0.20 -0.03 0.00 -1.43 0.00 0.00 32.58 30.81 1tei s HIS 24 CO 0.60 -1.14 -0.23 0.96 -2.00 0.00 0.00 174.74 172.93 1tei s ILE 25 N -3.39 2.41 0.14 -5.38 -4.36 -0.88 -0.69 121.20 109.05 1tei s ILE 25 Ca 0.24 -1.34 -0.14 0.00 -0.26 0.00 0.00 60.65 59.15 1tei s ILE 25 Cb -0.01 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.74 1tei s ILE 25 CO 0.13 0.33 0.37 -0.83 0.24 0.00 0.00 174.94 175.18 1tei s GLY 26 N -1.38 -0.06 -0.31 6.27 0.00 -0.30 -1.92 107.32 109.62 1tei s GLY 26 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 1tei s GLY 26 CO 0.04 -0.47 0.07 -0.42 0.00 0.00 0.00 173.10 172.32 1tei s ILE 27 N -3.85 3.77 -0.20 0.90 1.01 -0.77 -0.81 121.20 121.25 1tei s ILE 27 Ca 0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1tei s ILE 27 Cb 0.02 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1tei s ILE 27 CO -0.08 -0.02 0.07 -1.81 0.00 0.00 0.00 174.94 173.10 1tei s ASP 28 N 1.44 5.52 -0.33 3.58 1.01 -0.08 -0.57 116.67 127.25 1tei s ASP 28 Ca 0.00 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.31 1tei s ASP 28 Cb -0.18 -1.96 0.10 0.00 1.01 0.00 0.00 42.92 41.89 1tei s ASP 28 CO 0.02 0.12 0.04 -0.63 0.21 0.00 0.00 175.17 174.93 1tei s ILE 29 N 0.70 2.35 -0.63 0.77 -1.09 -1.26 -1.48 121.20 120.57 1tei s ILE 29 Ca 0.03 -2.22 0.00 0.00 -2.23 0.00 0.00 60.65 56.23 1tei s ILE 29 Cb -0.13 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1tei s ILE 29 CO 0.02 -0.53 0.00 0.29 -1.23 0.00 0.00 174.94 173.49 1tei n LYS 30 N 4.30 -1.66 -3.62 2.79 5.02 0.74 -4.92 118.16 120.81 1tei n LYS 30 Ca 0.01 0.68 -0.16 0.00 -2.02 0.00 0.00 58.31 56.82 1tei n LYS 30 Cb 0.42 -5.02 -0.07 0.00 -0.02 0.00 0.00 35.03 30.34 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 -2.25 -0.55 0.40 4.39 0.15 -1.26 -4.92 113.70 109.66 1tei s SER 31 Ca 0.00 0.74 0.28 0.00 0.70 0.00 0.00 55.95 57.68 1tei s SER 31 Cb 0.00 0.72 1.10 0.00 -1.71 0.00 0.00 66.02 66.12 1tei s SER 31 CO 0.00 -0.44 1.83 1.62 1.20 0.00 0.00 173.24 177.45 1tei h VAL 32 N 3.58 0.00 -1.77 4.45 3.04 -1.88 -3.39 116.25 120.29 1tei h VAL 32 Ca -0.28 -0.43 -0.61 0.00 -1.01 0.00 0.00 66.70 64.37 1tei h VAL 32 Cb 1.16 1.32 -0.12 0.00 -2.01 0.00 0.00 31.29 31.64 1tei h VAL 32 CO 0.31 0.00 1.18 -0.13 -1.01 0.00 0.00 177.57 177.92 1tei s ARG 33 N -3.45 3.47 -0.07 4.17 0.52 -1.26 -4.96 118.95 117.37 1tei s ARG 33 Ca 0.04 -1.06 -0.40 0.00 -0.52 0.00 0.00 55.73 53.78 1tei s ARG 33 Cb 0.09 -4.94 -0.18 0.00 0.52 0.00 0.00 34.95 30.44 1tei s ARG 33 CO 0.49 -2.07 1.32 0.43 0.02 0.00 0.00 175.30 175.49 1tei n SER 34 N 8.37 1.00 0.10 0.23 7.64 -1.26 -4.79 113.62 124.90 1tei n SER 34 Ca 0.22 1.14 0.11 0.00 1.01 0.00 0.00 58.87 61.35 1tei n SER 34 Cb 0.50 -1.03 0.45 0.00 -1.01 0.00 0.00 64.21 63.11 1tei n SER 34 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1tei n LYS 35 N 2.66 0.15 -3.64 1.43 4.76 0.27 -4.72 118.16 119.06 1tei n LYS 35 Ca 0.22 0.38 -0.11 0.00 -2.87 0.00 0.00 58.31 55.93 1tei n LYS 35 Cb 0.10 -1.78 -0.07 0.00 -1.84 0.00 0.00 35.03 31.44 1tei n LYS 35 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1tei s LYS 36 N -3.24 0.62 0.27 1.97 2.47 -1.25 -5.01 119.74 115.58 1tei s LYS 36 Ca 0.05 0.74 0.03 0.00 -1.56 0.00 0.00 55.97 55.23 1tei s LYS 36 Cb 0.09 0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 1tei s LYS 36 CO 0.36 -0.07 0.18 0.95 0.16 0.00 0.00 175.35 176.93 1tei s THR 37 N 0.30 0.13 -0.21 3.43 -4.23 -1.26 -1.85 115.64 111.95 1tei s THR 37 Ca 0.02 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 1tei s THR 37 Cb -0.05 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.34 1tei s THR 37 CO -0.04 0.00 0.54 0.00 -0.54 0.00 0.00 174.62 174.58 1tei s ALA 38 N -3.76 -1.35 0.27 3.99 0.00 -0.81 -4.98 121.76 115.13 1tei s ALA 38 Ca 0.38 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 1tei s ALA 38 Cb 0.05 -0.93 -0.12 0.00 0.00 0.00 0.00 23.12 22.12 1tei s ALA 38 CO 0.18 -0.27 1.51 1.17 0.00 0.00 0.00 175.76 178.35 1tei n LYS 39 N 3.03 2.41 -3.94 0.00 4.81 -1.26 -2.06 118.16 121.14 1tei n LYS 39 Ca -0.15 0.86 -0.28 0.00 -0.87 0.00 0.00 58.31 57.86 1tei n LYS 39 Cb 0.56 -2.58 -0.17 0.00 0.02 0.00 0.00 35.03 32.87 1tei n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1tei s TRP 40 N -0.08 1.80 -1.34 5.64 -0.00 -0.20 -4.77 118.94 120.00 1tei s TRP 40 Ca 0.65 -1.02 -0.14 0.00 -0.00 0.00 0.00 56.10 55.60 1tei s TRP 40 Cb -0.56 -1.39 0.10 0.00 -0.00 0.00 0.00 33.47 31.62 1tei s TRP 40 CO 0.50 -0.60 1.89 0.09 -0.00 0.00 0.00 176.95 178.83 1tei n ASN 41 N 4.86 4.66 -4.71 5.86 3.02 -1.26 -4.42 115.26 123.26 1tei n ASN 41 Ca -0.14 -2.95 -0.43 0.00 -0.03 0.00 0.00 54.58 51.03 1tei n ASN 41 Cb 0.49 -1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.01 1tei n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1tei n MET 42 N 6.15 2.46 -3.74 3.52 0.00 -1.26 -4.97 117.12 119.28 1tei n MET 42 Ca 0.46 0.88 -0.37 0.00 -0.00 0.00 0.00 57.70 58.68 1tei n MET 42 Cb 0.41 -2.65 -0.11 0.00 0.00 0.00 0.00 33.22 30.87 1tei n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1tei s GLN 43 N 0.15 2.21 0.03 2.12 -0.21 -1.26 -5.07 119.66 117.64 1tei s GLN 43 Ca 0.70 -2.03 -0.36 0.00 0.02 0.00 0.00 55.36 53.69 1tei s GLN 43 Cb -0.57 -3.66 -0.15 0.00 1.00 0.00 0.00 33.01 29.63 1tei s GLN 43 CO 0.43 -1.11 1.53 -1.71 -2.12 0.00 0.00 175.29 172.30 1tei n ASN 44 N 4.29 2.35 0.00 5.90 2.85 -1.26 -1.55 115.26 127.83 1tei n ASN 44 Ca 0.00 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 1tei n ASN 44 Cb 0.40 -1.27 0.00 0.00 1.24 0.00 0.00 39.78 40.16 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 3.23 1.28 3.58 8.20 0.00 -0.12 -5.00 105.19 116.35 1tei n GLY 45 Ca 0.20 0.00 -0.30 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 -0.26 2.23 -0.18 1.61 1.02 -0.60 -4.95 119.74 118.61 1tei s LYS 46 Ca 0.00 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 54.75 1tei s LYS 46 Cb 0.00 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1tei s LYS 46 CO 0.00 0.53 1.15 0.08 -0.92 0.00 0.00 175.35 176.19 1tei s VAL 47 N -1.16 4.47 0.48 3.17 1.01 -1.26 -4.21 120.40 122.90 1tei s VAL 47 Ca 0.20 1.77 0.05 0.00 0.00 0.00 0.00 61.98 64.01 1tei s VAL 47 Cb -0.11 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1tei s VAL 47 CO 0.12 -0.13 0.21 -0.83 0.00 0.00 0.00 175.10 174.47 1tei s GLY 48 N 1.58 2.51 -0.04 4.51 0.00 -0.24 -4.57 107.32 111.07 1tei s GLY 48 Ca 0.50 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1tei s GLY 48 CO 0.12 -1.99 -0.06 -1.59 0.00 0.00 0.00 173.10 169.58 1tei s THR 49 N -2.72 0.62 -0.02 0.90 2.01 -0.05 -1.70 115.64 114.68 1tei s THR 49 Ca 0.31 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1tei s THR 49 Cb 0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1tei s THR 49 CO 0.18 0.23 -0.12 0.00 -0.69 0.00 0.00 174.62 174.21 1tei s ALA 50 N 0.67 2.77 -0.06 7.40 0.00 0.04 -1.14 121.76 131.44 1tei s ALA 50 Ca -0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1tei s ALA 50 Cb -0.13 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1tei s ALA 50 CO 0.01 0.58 0.03 -1.58 0.00 0.00 0.00 175.76 174.79 1tei s HIS 51 N -0.85 0.38 -0.04 0.00 5.04 -0.16 -1.83 115.29 117.84 1tei s HIS 51 Ca 0.14 0.03 0.04 0.00 -1.54 0.00 0.00 55.06 53.72 1tei s HIS 51 Cb -0.11 -0.65 -0.03 0.00 0.04 0.00 0.00 32.58 31.84 1tei s HIS 51 CO 0.03 -0.27 -0.15 0.42 -2.34 0.00 0.00 174.74 172.43 1tei s ILE 52 N 2.07 3.01 0.05 0.89 1.09 -0.04 -1.52 121.20 126.74 1tei s ILE 52 Ca 0.05 -0.79 -0.03 0.00 -1.10 0.00 0.00 60.65 58.78 1tei s ILE 52 Cb -0.12 -2.18 -0.02 0.00 -1.06 0.00 0.00 42.46 39.07 1tei s ILE 52 CO -0.04 0.56 0.04 0.27 -0.10 0.00 0.00 174.94 175.67 1tei s ILE 53 N -0.75 0.17 -0.15 2.92 -4.36 -0.54 -1.10 121.20 117.38 1tei s ILE 53 Ca 0.12 -1.38 -0.30 0.00 -0.26 0.00 0.00 60.65 58.83 1tei s ILE 53 Cb -0.11 -1.14 0.12 0.00 1.25 0.00 0.00 42.46 42.58 1tei s ILE 53 CO 0.01 -0.76 0.94 -0.47 0.24 0.00 0.00 174.94 174.90 1tei s TYR 54 N -3.19 -0.44 -0.13 1.37 5.04 -0.97 -1.78 117.35 117.25 1tei s TYR 54 Ca 0.00 0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 55.25 1tei s TYR 54 Cb 0.02 0.43 0.04 0.00 0.35 0.00 0.00 41.96 42.81 1tei s TYR 54 CO -0.07 -0.38 0.44 0.54 -1.34 0.00 0.00 175.55 174.74 1tei s ASN 55 N -0.98 -0.43 0.38 4.32 2.20 -1.25 -1.92 114.94 117.26 1tei s ASN 55 Ca -0.03 0.72 0.28 0.00 -0.94 0.00 0.00 52.86 52.89 1tei s ASN 55 Cb -0.01 0.76 1.24 0.00 -2.00 0.00 0.00 41.25 41.25 1tei s ASN 55 CO 0.02 -0.26 1.83 0.77 -2.94 0.00 0.00 177.10 176.53 1tei h SER 56 N 4.90 0.00 0.13 3.54 4.64 -1.07 0.15 113.55 125.84 1tei h SER 56 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1tei h SER 56 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1tei h SER 56 CO 0.27 0.00 -0.06 0.58 -0.87 0.00 0.00 176.83 176.75 1tei h VAL 57 N 0.00 1.01 0.00 0.95 2.07 -1.89 -3.32 116.25 115.06 1tei h VAL 57 Ca 0.00 -1.14 -0.12 0.00 0.82 0.00 0.00 66.70 66.27 1tei h VAL 57 Cb 0.30 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1tei h VAL 57 CO 0.00 0.25 -0.81 0.44 0.02 0.00 0.00 177.57 177.47 1tei h ASP 58 N -0.77 0.00 -6.13 0.57 3.32 -1.97 -3.47 116.42 107.97 1tei h ASP 58 Ca -0.02 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.60 1tei h ASP 58 Cb 0.54 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.13 1tei h ASP 58 CO 0.03 0.48 -0.82 0.29 -1.72 0.00 0.00 179.24 177.50 1tei n LYS 59 N -3.08 -4.94 -4.16 3.56 5.02 0.53 -4.90 118.16 110.19 1tei n LYS 59 Ca -0.02 0.61 -0.24 0.00 -2.02 0.00 0.00 58.31 56.64 1tei n LYS 59 Cb 0.75 -5.19 -0.17 0.00 -0.02 0.00 0.00 35.03 30.40 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 -6.08 1.29 -0.26 1.97 3.52 -1.25 -1.58 118.95 116.56 1tei s ARG 60 Ca 0.09 -0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 55.37 1tei s ARG 60 Cb -0.04 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 1tei s ARG 60 CO 0.82 -0.14 0.15 -1.17 -0.81 0.00 0.00 175.30 174.15 1tei s LEU 61 N 1.23 3.89 0.14 -0.88 2.96 -0.62 -3.94 118.68 121.47 1tei s LEU 61 Ca -0.05 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1tei s LEU 61 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1tei s LEU 61 CO -0.02 -0.02 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.40 1tei s SER 62 N 1.58 2.21 -0.02 3.68 0.01 -0.73 -1.59 113.70 118.83 1tei s SER 62 Ca 0.07 -0.87 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 1tei s SER 62 Cb -0.15 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1tei s SER 62 CO 0.08 -0.14 0.16 0.00 0.41 0.00 0.00 173.24 173.75 1tei s ALA 63 N -2.34 -0.38 -0.03 1.44 0.00 -0.00 -1.47 121.76 118.98 1tei s ALA 63 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1tei s ALA 63 Cb -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1tei s ALA 63 CO 0.04 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 175.67 1tei s VAL 64 N -0.95 0.40 -0.03 0.00 1.01 -0.58 -1.82 120.40 118.44 1tei s VAL 64 Ca -0.10 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1tei s VAL 64 Cb -0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1tei s VAL 64 CO 0.01 0.18 -0.20 -0.69 0.00 0.00 0.00 175.10 174.40 1tei s VAL 65 N 0.69 1.57 0.19 2.92 1.01 -0.62 -0.99 120.40 125.18 1tei s VAL 65 Ca -0.08 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1tei s VAL 65 Cb -0.11 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 34.99 1tei s VAL 65 CO -0.00 0.45 0.59 -0.94 0.00 0.00 0.00 175.10 175.19 1tei s SER 66 N -0.28 -0.39 0.08 3.32 1.04 -0.29 -1.32 113.70 115.85 1tei s SER 66 Ca 0.03 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.26 1tei s SER 66 Cb -0.09 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1tei s SER 66 CO 0.01 -1.07 -0.22 -0.31 0.98 0.00 0.00 173.24 172.63 1tei s TYR 67 N -3.82 1.91 0.21 5.02 2.02 -1.26 -0.87 117.35 120.55 1tei s TYR 67 Ca 0.06 -0.40 -0.32 0.00 -0.37 0.00 0.00 57.07 56.04 1tei s TYR 67 Cb -0.02 -1.08 -0.14 0.00 -0.40 0.00 0.00 41.96 40.32 1tei s TYR 67 CO -0.06 0.18 1.34 -2.30 -1.57 0.00 0.00 175.55 173.15 1tei n PRO 68 N 1.36 1.76 -3.67 -1.71 -0.02 -1.26 -2.50 135.00 128.96 1tei n PRO 68 Ca -0.18 0.63 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 1tei n PRO 68 Cb 0.53 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.20 -2.83 -3.63 2.55 5.03 -1.26 -5.00 115.26 112.32 1tei n ASN 69 Ca 0.13 -0.73 -0.12 0.00 0.87 0.00 0.00 54.58 54.73 1tei n ASN 69 Cb 0.29 -4.41 -0.05 0.00 -1.02 0.00 0.00 39.78 34.59 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 -3.48 -1.05 0.57 5.41 0.00 -1.04 -5.15 121.76 117.03 1tei s ALA 70 Ca 0.22 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 1tei s ALA 70 Cb -0.10 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1tei s ALA 70 CO 0.79 -0.55 1.15 -0.51 0.00 0.00 0.00 175.76 176.64 1tei s ASP 71 N -2.35 5.46 0.06 0.00 1.01 -1.26 -4.58 116.67 115.00 1tei s ASP 71 Ca -0.02 2.23 0.01 0.00 0.71 0.00 0.00 52.55 55.49 1tei s ASP 71 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1tei s ASP 71 CO -0.07 -1.40 0.14 -0.94 0.21 0.00 0.00 175.17 173.11 1tei s SER 72 N -1.80 5.92 -0.04 0.27 1.04 -1.26 -4.56 113.70 113.27 1tei s SER 72 Ca 0.74 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.21 1tei s SER 72 Cb -0.26 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.09 1tei s SER 72 CO 0.31 0.19 0.27 0.00 0.98 0.00 0.00 173.24 174.99 1tei s ALA 73 N -1.41 3.80 0.01 5.32 0.00 -0.43 -4.93 121.76 124.12 1tei s ALA 73 Ca 0.31 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1tei s ALA 73 Cb -0.12 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1tei s ALA 73 CO 0.23 0.58 -0.08 0.99 0.00 0.00 0.00 175.76 177.48 1tei s THR 74 N -1.12 0.59 -0.10 0.00 2.01 -1.26 -1.58 115.64 114.18 1tei s THR 74 Ca 0.21 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1tei s THR 74 Cb -0.14 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.84 1tei s THR 74 CO 0.10 -0.02 0.28 0.54 -0.69 0.00 0.00 174.62 174.83 1tei s VAL 75 N -0.58 0.01 0.06 3.82 0.11 -0.75 -4.73 120.40 118.32 1tei s VAL 75 Ca -0.01 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1tei s VAL 75 Cb -0.05 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1tei s VAL 75 CO 0.00 -0.02 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.30 1tei s SER 76 N 0.04 0.45 -0.28 3.54 0.01 -1.26 -0.82 113.70 115.37 1tei s SER 76 Ca -0.01 -0.98 -0.20 0.00 1.31 0.00 0.00 55.95 56.07 1tei s SER 76 Cb -0.02 0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.51 1tei s SER 76 CO 0.01 -0.62 0.78 -0.47 0.41 0.00 0.00 173.24 173.35 1tei s TYR 77 N -3.92 -0.84 -0.25 2.43 5.04 -0.62 -4.95 117.35 114.24 1tei s TYR 77 Ca 0.08 1.82 -0.28 0.00 -2.44 0.00 0.00 57.07 56.25 1tei s TYR 77 Cb 0.08 0.45 0.01 0.00 0.35 0.00 0.00 41.96 42.84 1tei s TYR 77 CO -0.10 -0.41 0.98 -0.51 -1.34 0.00 0.00 175.55 174.17 1tei s ASP 78 N 1.01 6.99 -0.17 4.32 1.01 -1.26 -1.58 116.67 126.99 1tei s ASP 78 Ca -0.05 1.22 -0.07 0.00 0.71 0.00 0.00 52.55 54.36 1tei s ASP 78 Cb -0.05 -2.51 0.07 0.00 1.01 0.00 0.00 42.92 41.44 1tei s ASP 78 CO -0.11 -0.65 0.38 0.54 0.21 0.00 0.00 175.17 175.54 1tei s VAL 79 N 3.14 -0.30 -0.60 -1.27 0.11 -0.62 -4.99 120.40 115.88 1tei s VAL 79 Ca 0.41 0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.40 1tei s VAL 79 Cb -0.15 -0.58 0.06 0.00 -1.53 0.00 0.00 36.38 34.18 1tei s VAL 79 CO 0.08 0.06 0.87 -0.62 -3.33 0.00 0.00 175.10 172.16 1tei s ASP 80 N 1.96 6.22 0.55 3.54 -1.08 -1.26 -4.43 116.67 122.17 1tei s ASP 80 Ca -0.05 -0.87 0.37 0.00 -0.52 0.00 0.00 52.55 51.48 1tei s ASP 80 Cb -0.10 -2.39 1.92 0.00 -1.46 0.00 0.00 42.92 40.89 1tei s ASP 80 CO -0.12 -1.25 2.12 -0.07 0.52 0.00 0.00 175.17 176.37 1tei h LEU 81 N 10.80 0.00 -1.80 -1.34 3.38 -1.97 -2.00 115.31 122.38 1tei h LEU 81 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 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 1.11 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 179.97 1tei h ASP 82 N 0.00 0.00 -0.05 -0.43 3.32 -1.90 -0.77 116.42 116.59 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 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1tei h ASP 82 CO 0.00 0.11 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 1tei n ASN 83 N -4.36 2.50 -0.04 6.45 3.02 -0.75 -4.52 115.26 117.55 1tei n ASN 83 Ca -0.03 -1.83 -0.08 0.00 -0.03 0.00 0.00 54.58 52.61 1tei n ASN 83 Cb 0.18 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.95 0.48 -3.96 2.41 0.31 -0.60 -5.06 118.33 112.85 1tei n VAL 84 Ca 0.16 -0.15 -0.31 0.00 -0.01 0.00 0.00 64.34 64.03 1tei n VAL 84 Cb 0.51 -1.28 -0.05 0.00 -0.91 0.00 0.00 33.84 32.11 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 -6.07 4.18 0.77 7.52 1.43 -0.40 -4.96 118.68 121.16 1tei s LEU 85 Ca -0.12 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1tei s LEU 85 Cb 0.04 -2.77 0.06 0.00 0.03 0.00 0.00 46.19 43.54 1tei s LEU 85 CO 0.17 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.85 1tei s PRO 86 N -2.41 2.28 0.27 1.29 0.04 -1.26 -4.75 135.00 130.46 1tei s PRO 86 Ca 0.32 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 1tei s PRO 86 Cb -0.13 -1.91 0.58 0.00 0.04 0.00 0.00 34.50 33.08 1tei s PRO 86 CO 0.25 -1.58 1.72 1.49 0.04 0.00 0.00 177.00 178.93 1tei h GLU 87 N -1.07 0.46 -5.59 4.56 4.81 -1.94 -3.40 114.58 112.41 1tei h GLU 87 Ca -0.45 -0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.10 1tei h GLU 87 Cb 1.24 -0.10 -0.20 0.00 0.63 0.00 0.00 28.75 30.31 1tei h GLU 87 CO 0.54 0.30 -0.67 -1.58 -0.73 0.00 0.00 179.01 176.88 1tei s TRP 88 N -5.96 3.01 0.27 0.92 0.52 -1.26 -2.01 118.94 114.44 1tei s TRP 88 Ca -0.12 -0.17 0.05 0.00 0.02 0.00 0.00 56.10 55.88 1tei s TRP 88 Cb 0.23 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1tei s TRP 88 CO 0.77 0.11 0.26 1.33 0.02 0.00 0.00 176.95 179.44 1tei n VAL 89 N 3.03 0.00 -4.36 4.03 0.24 0.08 -4.31 118.33 117.05 1tei n VAL 89 Ca -0.18 -1.88 -0.20 0.00 -2.04 0.00 0.00 64.34 60.04 1tei n VAL 89 Cb 0.53 0.97 -0.13 0.00 -1.47 0.00 0.00 33.84 33.73 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 -3.02 0.92 0.07 7.34 0.52 -0.03 0.13 118.95 124.89 1tei s ARG 90 Ca 0.31 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1tei s ARG 90 Cb 0.01 -0.92 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1tei s ARG 90 CO 0.22 0.23 -0.12 0.14 0.02 0.00 0.00 175.30 175.78 1tei s VAL 91 N -0.81 3.22 0.09 3.52 -7.23 -1.26 -0.97 120.40 116.96 1tei s VAL 91 Ca 0.01 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1tei s VAL 91 Cb -0.08 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1tei s VAL 91 CO 0.01 0.21 0.35 0.61 -0.31 0.00 0.00 175.10 175.97 1tei n GLY 92 N 1.05 1.24 3.22 2.32 0.00 -0.08 -1.65 105.19 111.30 1tei n GLY 92 Ca -0.15 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 2.09 0.08 0.99 1.43 -0.13 -0.80 118.68 122.35 1tei s LEU 93 Ca 0.08 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1tei s LEU 93 Cb -0.01 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 1tei s LEU 93 CO 0.03 0.21 -0.09 -0.55 0.23 0.00 0.00 176.35 176.18 1tei s SER 94 N -0.78 1.25 0.04 2.29 0.15 0.87 -1.55 113.70 115.97 1tei s SER 94 Ca 0.07 -0.79 -0.27 0.00 0.70 0.00 0.00 55.95 55.66 1tei s SER 94 Cb -0.08 0.03 0.08 0.00 -1.71 0.00 0.00 66.02 64.34 1tei s SER 94 CO 0.00 -0.29 0.67 0.00 1.20 0.00 0.00 173.24 174.83 1tei s ALA 95 N -2.42 -1.71 0.22 5.45 0.00 -0.79 0.17 121.76 122.68 1tei s ALA 95 Ca 0.03 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 1tei s ALA 95 Cb -0.03 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1tei s ALA 95 CO -0.01 -0.57 0.56 -1.54 0.00 0.00 0.00 175.76 174.20 1tei s SER 96 N -1.98 -0.25 0.10 0.00 1.04 -1.06 -2.16 113.70 109.39 1tei s SER 96 Ca -0.04 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1tei s SER 96 Cb -0.01 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1tei s SER 96 CO -0.02 -1.12 -0.01 0.42 0.98 0.00 0.00 173.24 173.49 1tei s THR 97 N -3.90 0.37 0.00 2.02 -4.23 -0.40 -0.35 115.64 109.15 1tei s THR 97 Ca 0.11 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1tei s THR 97 Cb -0.02 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1tei s THR 97 CO 0.00 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 1tei n GLY 98 N -0.02 3.68 0.25 3.99 0.00 -1.26 -0.86 105.19 110.97 1tei n GLY 98 Ca -0.10 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 0.80-10.22 0.99 5.85 -1.97 -0.64 115.31 110.12 1tei h LEU 99 Ca 0.00 -0.22 -0.46 0.00 0.84 0.00 0.00 57.88 58.03 1tei h LEU 99 Cb 0.00 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1tei h LEU 99 CO 0.00 0.81 -0.33 -0.31 -0.34 0.00 0.00 178.44 178.28 1tei s TYR 100 N -5.34 3.45 0.35 1.25 2.02 -1.26 -4.82 117.35 112.99 1tei s TYR 100 Ca -0.13 0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.74 1tei s TYR 100 Cb 0.12 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 1tei s TYR 100 CO 0.80 0.28 0.18 0.36 -1.57 0.00 0.00 175.55 175.60 1tei n LYS 101 N -1.58 0.51 -3.62 -0.62 0.00 -1.25 -4.52 118.16 107.08 1tei n LYS 101 Ca -0.07 -3.15 -0.03 0.00 -0.00 0.00 0.00 58.31 55.06 1tei n LYS 101 Cb 0.57 2.04 -0.02 0.00 -0.00 0.00 0.00 35.03 37.62 1tei n LYS 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1tei s GLU 102 N -3.37 0.16 0.14 -1.58 -1.05 -1.13 -3.30 118.70 108.56 1tei s GLU 102 Ca 0.26 -0.06 -0.19 0.00 -0.15 0.00 0.00 54.97 54.84 1tei s GLU 102 Cb 0.01 0.07 -0.07 0.00 -0.44 0.00 0.00 34.13 33.70 1tei s GLU 102 CO 0.18 -0.07 0.62 0.95 0.95 0.00 0.00 175.26 177.90 1tei s THR 103 N -2.22 4.69 -0.58 1.83 -4.23 0.47 -4.73 115.64 110.88 1tei s THR 103 Ca 0.11 1.17 0.06 0.00 -1.18 0.00 0.00 61.69 61.84 1tei s THR 103 Cb -0.01 -3.87 0.32 0.00 1.34 0.00 0.00 72.50 70.28 1tei s THR 103 CO -0.03 0.38 0.89 0.59 -0.54 0.00 0.00 174.62 175.90 1tei n ASN 104 N 1.21 4.07 -4.70 3.99 4.13 -1.26 -3.54 115.26 119.15 1tei n ASN 104 Ca -0.07 -3.58 -0.42 0.00 1.68 0.00 0.00 54.58 52.19 1tei n ASN 104 Cb 0.51 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 38.13 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 -3.86 4.84 -0.24 3.41 2.01 -1.13 -2.26 115.64 118.41 1tei s THR 105 Ca 0.46 2.05 -0.06 0.00 0.31 0.00 0.00 61.69 64.45 1tei s THR 105 Cb 0.25 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1tei s THR 105 CO -0.11 0.10 0.03 -0.63 -0.69 0.00 0.00 174.62 173.32 1tei s ILE 106 N 1.38 3.94 -0.23 1.82 -1.09 0.20 -0.83 121.20 126.40 1tei s ILE 106 Ca 0.51 -0.30 0.22 0.00 -2.23 0.00 0.00 60.65 58.85 1tei s ILE 106 Cb -0.20 -2.83 -0.11 0.00 -1.58 0.00 0.00 42.46 37.74 1tei s ILE 106 CO 0.24 0.37 0.88 0.18 -1.23 0.00 0.00 174.94 175.39 1tei n LEU 107 N 4.87 0.58 -3.53 2.97 4.32 0.45 -1.76 117.00 124.90 1tei n LEU 107 Ca -0.17 0.19 -0.12 0.00 -0.02 0.00 0.00 56.01 55.89 1tei n LEU 107 Cb 0.51 -0.05 -0.04 0.00 -1.62 0.00 0.00 43.42 42.22 1tei n LEU 107 CO 0.30 -0.10 0.65 -0.94 -1.22 0.00 0.00 177.39 176.07 1tei s SER 108 N -4.93 -0.45 -0.24 -1.43 1.04 -1.23 -4.48 113.70 101.97 1tei s SER 108 Ca -0.02 0.35 -0.17 0.00 0.48 0.00 0.00 55.95 56.60 1tei s SER 108 Cb 0.11 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1tei s SER 108 CO 0.82 -0.52 0.61 0.86 0.98 0.00 0.00 173.24 176.00 1tei s TRP 109 N -1.80 -0.83 0.04 5.02 -0.00 -0.04 -2.06 118.94 119.27 1tei s TRP 109 Ca -0.02 1.79 -0.01 0.00 -0.00 0.00 0.00 56.10 57.86 1tei s TRP 109 Cb -0.01 0.41 -0.03 0.00 -0.00 0.00 0.00 33.47 33.85 1tei s TRP 109 CO 0.00 -0.42 -0.02 -1.54 -0.00 0.00 0.00 176.95 174.98 1tei s SER 110 N 1.10 0.36 -0.13 5.86 1.04 0.17 -0.25 113.70 121.85 1tei s SER 110 Ca -0.06 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.45 1tei s SER 110 Cb -0.05 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1tei s SER 110 CO -0.11 -0.48 0.41 0.12 0.98 0.00 0.00 173.24 174.16 1tei s PHE 111 N -2.86 -0.41 -0.02 5.02 5.36 -0.69 -1.61 117.98 122.75 1tei s PHE 111 Ca -0.03 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 1tei s PHE 111 Cb 0.00 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 1tei s PHE 111 CO -0.06 -0.27 0.02 0.99 -1.46 0.00 0.00 175.22 174.44 1tei s THR 112 N -0.11 0.01 -0.05 0.12 2.01 0.28 -1.91 115.64 115.99 1tei s THR 112 Ca -0.03 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1tei s THR 112 Cb -0.03 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.36 1tei s THR 112 CO 0.02 0.10 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.40 1tei s SER 113 N 0.99 1.39 -0.01 3.53 0.15 -0.01 -0.78 113.70 118.97 1tei s SER 113 Ca -0.09 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1tei s SER 113 Cb -0.12 -0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 1tei s SER 113 CO -0.02 0.03 -0.11 -0.54 1.20 0.00 0.00 173.24 173.80 1tei s LYS 114 N 0.52 0.90 -0.11 5.44 1.02 -0.20 -1.14 119.74 126.18 1tei s LYS 114 Ca -0.09 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 1tei s LYS 114 Cb -0.13 -0.87 0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1tei s LYS 114 CO 0.02 0.23 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.12 1tei s LEU 115 N -0.25 1.03 -0.23 3.17 1.43 0.40 -1.52 118.68 122.71 1tei s LEU 115 Ca 0.04 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1tei s LEU 115 Cb -0.04 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1tei s LEU 115 CO -0.00 -0.15 -0.01 -0.75 0.23 0.00 0.00 176.35 175.67 1tei s LYS 116 N 1.79 3.39 0.33 1.70 2.20 0.10 -0.31 119.74 128.94 1tei s LYS 116 Ca 0.05 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 1tei s LYS 116 Cb -0.13 -3.11 0.06 0.00 -1.51 0.00 0.00 37.83 33.15 1tei s LYS 116 CO -0.07 -0.23 0.45 0.45 -0.36 0.00 0.00 175.35 175.59 1tei n SER 117 N 4.82 0.98 -3.43 1.43 2.88 -1.20 0.80 113.62 119.90 1tei n SER 117 Ca -0.17 -1.74 -0.36 0.00 -1.33 0.00 0.00 58.87 55.27 1tei n SER 117 Cb 0.51 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.68 1tei n SER 117 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1tei n ASN 118 N -2.74 5.47 -3.57 -3.46 4.13 -1.22 -4.60 115.26 109.26 1tei n ASN 118 Ca 0.09 -2.59 -0.10 0.00 1.68 0.00 0.00 54.58 53.65 1tei n ASN 118 Cb 0.31 -1.38 -0.02 0.00 -1.54 0.00 0.00 39.78 37.15 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 3.25 -0.45 -0.42 6.41 0.01 -1.26 -5.09 113.70 116.15 1tei s SER 119 Ca 0.54 -0.22 -0.28 0.00 1.31 0.00 0.00 55.95 57.30 1tei s SER 119 Cb 0.14 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 1tei s SER 119 CO -0.03 -1.07 1.73 0.42 0.41 0.00 0.00 173.24 174.71 1tei s THR 120 N -3.81 3.53 -0.04 1.44 -4.23 -1.26 -3.56 115.64 107.71 1tei s THR 120 Ca 0.04 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1tei s THR 120 Cb -0.02 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1tei s THR 120 CO -0.07 -0.62 0.00 1.57 -0.54 0.00 0.00 174.62 174.96 1tei n HIS 121 N 10.59 -0.00 -1.69 3.99 -0.00 -1.26 -4.84 115.22 122.00 1tei n HIS 121 Ca 0.21 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.97 1tei n HIS 121 Cb 0.48 -1.92 -0.01 0.00 -0.12 0.00 0.00 29.99 28.42 1tei n HIS 121 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1tei n GLU 122 N 0.86 2.69 -3.65 1.57 1.02 -1.23 -4.90 120.64 116.99 1tei n GLU 122 Ca -0.00 -2.53 -0.36 0.00 -0.02 0.00 0.00 57.16 54.24 1tei n GLU 122 Cb 0.47 -3.25 -0.07 0.00 -0.02 0.00 0.00 31.44 28.56 1tei n GLU 122 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1tei s THR 123 N 3.52 5.35 -0.10 2.62 2.01 -1.26 -3.28 115.64 124.51 1tei s THR 123 Ca 0.49 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.85 1tei s THR 123 Cb 0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1tei s THR 123 CO -0.05 0.45 0.04 0.20 -0.69 0.00 0.00 174.62 174.57 1tei s ASN 124 N 0.09 5.56 0.05 3.53 -0.87 0.58 -4.94 114.94 118.94 1tei s ASN 124 Ca 0.14 0.24 -0.11 0.00 -1.57 0.00 0.00 52.86 51.56 1tei s ASN 124 Cb -0.12 -1.64 0.01 0.00 -0.02 0.00 0.00 41.25 39.47 1tei s ASN 124 CO 0.03 0.39 0.23 0.00 -2.57 0.00 0.00 177.10 175.17 1tei s ALA 125 N -0.93 -0.44 -0.01 0.60 0.00 -1.26 -0.45 121.76 119.27 1tei s ALA 125 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 1tei s ALA 125 Cb -0.12 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1tei s ALA 125 CO 0.03 -0.40 0.03 -1.17 0.00 0.00 0.00 175.76 174.24 1tei s LEU 126 N -2.22 1.55 -0.15 0.00 2.96 -0.29 -5.00 118.68 115.52 1tei s LEU 126 Ca -0.03 0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.81 1tei s LEU 126 Cb 0.00 0.02 0.05 0.00 0.50 0.00 0.00 46.19 46.76 1tei s LEU 126 CO -0.05 -0.06 0.39 -2.28 -1.32 0.00 0.00 176.35 173.03 1tei s HIS 127 N 0.47 -0.49 0.00 5.38 5.65 -1.26 -0.83 115.29 124.22 1tei s HIS 127 Ca -0.04 1.13 -0.02 0.00 0.25 0.00 0.00 55.06 56.38 1tei s HIS 127 Cb -0.06 0.19 -0.01 0.00 -1.18 0.00 0.00 32.58 31.53 1tei s HIS 127 CO -0.01 -0.26 0.03 -0.59 -0.65 0.00 0.00 174.74 173.25 1tei s PHE 128 N 0.76 0.11 -0.10 3.88 -0.12 -0.80 -5.01 117.98 116.69 1tei s PHE 128 Ca -0.04 -0.23 -0.04 0.00 -0.05 0.00 0.00 56.93 56.57 1tei s PHE 128 Cb -0.06 -0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.30 1tei s PHE 128 CO -0.05 -0.16 0.21 1.41 -0.05 0.00 0.00 175.22 176.58 1tei s MET 129 N -0.96 0.09 -0.22 1.99 1.75 -1.26 -1.71 119.30 118.98 1tei s MET 129 Ca -0.11 0.64 -0.03 0.00 -1.25 0.00 0.00 55.69 54.94 1tei s MET 129 Cb -0.06 -0.16 -0.00 0.00 2.84 0.00 0.00 34.83 37.44 1tei s MET 129 CO -0.00 -0.29 -0.06 -0.06 -0.65 0.00 0.00 175.02 173.96 1tei s PHE 130 N 2.30 2.96 -0.51 4.11 0.08 0.66 -4.93 117.98 122.64 1tei s PHE 130 Ca 0.02 -1.08 0.06 0.00 0.12 0.00 0.00 56.93 56.04 1tei s PHE 130 Cb -0.12 -2.09 -0.00 0.00 -0.57 0.00 0.00 43.02 40.24 1tei s PHE 130 CO -0.07 -0.60 0.47 0.09 -0.10 0.00 0.00 175.22 175.02 1tei n ASN 131 N 4.77 0.92 -3.69 1.36 3.02 -1.26 -0.86 115.26 119.52 1tei n ASN 131 Ca -0.18 -0.96 -0.13 0.00 -0.03 0.00 0.00 54.58 53.27 1tei n ASN 131 Cb 0.50 0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 40.04 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 -0.94 0.64 -0.05 3.52 0.74 -1.26 -4.80 119.66 117.51 1tei s GLN 132 Ca 0.05 0.77 0.05 0.00 0.05 0.00 0.00 55.36 56.27 1tei s GLN 132 Cb 0.04 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.44 1tei s GLN 132 CO 0.14 -0.08 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.55 1tei s PHE 133 N 0.32 2.57 0.30 1.67 0.08 0.10 -5.03 117.98 117.99 1tei s PHE 133 Ca -0.00 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.74 1tei s PHE 133 Cb -0.04 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1tei s PHE 133 CO 0.00 0.02 0.37 -1.54 -0.10 0.00 0.00 175.22 173.98 1tei s SER 134 N -0.50 5.84 0.38 1.36 1.04 -1.26 -4.07 113.70 116.49 1tei s SER 134 Ca 0.06 -0.20 0.11 0.00 0.48 0.00 0.00 55.95 56.40 1tei s SER 134 Cb -0.11 -1.34 0.91 0.00 0.10 0.00 0.00 66.02 65.57 1tei s SER 134 CO 0.01 -0.28 1.90 0.50 0.98 0.00 0.00 173.24 176.35 1tei h LYS 135 N 1.11 0.57 -3.18 4.02 3.64 -1.86 -3.19 116.57 117.68 1tei h LYS 135 Ca -0.47 -0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.25 1tei h LYS 135 Cb 1.25 -0.13 -0.41 0.00 -0.41 0.00 0.00 32.23 32.53 1tei h LYS 135 CO 0.57 0.38 -0.62 0.34 -2.27 0.00 0.00 179.45 177.84 1tei s ASP 136 N -5.88 4.40 -1.18 4.20 2.15 -1.26 -4.75 116.67 114.34 1tei s ASP 136 Ca -0.09 -3.39 -0.11 0.00 0.43 0.00 0.00 52.55 49.39 1tei s ASP 136 Cb 0.21 -1.55 0.21 0.00 -0.30 0.00 0.00 42.92 41.50 1tei s ASP 136 CO 0.78 -0.16 1.40 1.67 -0.17 0.00 0.00 175.17 178.68 1tei n GLN 137 N 2.59 3.53 0.13 4.34 -0.06 -1.21 -4.90 117.38 121.80 1tei n GLN 137 Ca 0.13 -4.05 0.07 0.00 -2.00 0.00 0.00 57.00 51.15 1tei n GLN 137 Cb 0.34 -2.84 0.37 0.00 -4.06 0.00 0.00 30.24 24.05 1tei n GLN 137 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1tei n LYS 138 N 4.24 0.09 -0.19 3.69 5.02 -1.26 -1.66 118.16 128.09 1tei n LYS 138 Ca 0.33 0.56 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 1tei n LYS 138 Cb 0.40 -1.94 0.27 0.00 -0.02 0.00 0.00 35.03 33.74 1tei n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1tei n ASP 139 N -1.99 2.89 -4.29 4.39 5.68 -1.26 -4.89 116.55 117.09 1tei n ASP 139 Ca -0.01 -1.92 -0.31 0.00 -0.50 0.00 0.00 54.79 52.05 1tei n ASP 139 Cb 0.17 -0.25 -0.16 0.00 -1.14 0.00 0.00 41.12 39.74 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 -1.37 2.06 -0.41 -2.12 1.43 -0.67 -0.51 118.68 117.09 1tei s LEU 140 Ca 0.37 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1tei s LEU 140 Cb 0.21 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 45.11 1tei s LEU 140 CO 0.29 0.28 0.29 -0.63 0.23 0.00 0.00 176.35 176.81 1tei s ILE 141 N -0.39 5.19 -0.09 -0.59 1.01 0.48 -4.86 121.20 121.94 1tei s ILE 141 Ca 0.04 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1tei s ILE 141 Cb -0.12 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1tei s ILE 141 CO 0.01 -0.31 0.48 -0.76 0.00 0.00 0.00 174.94 174.36 1tei s LEU 142 N 1.66 4.32 0.17 2.97 1.43 -1.26 -1.34 118.68 126.63 1tei s LEU 142 Ca 0.05 0.87 0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1tei s LEU 142 Cb -0.19 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1tei s LEU 142 CO 0.10 0.05 -0.22 -1.10 0.23 0.00 0.00 176.35 175.41 1tei s GLN 143 N 0.33 1.38 6.49 1.70 -0.21 0.06 -4.99 119.66 124.42 1tei s GLN 143 Ca 0.26 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.21 1tei s GLN 143 Cb -0.16 -1.60 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1tei s GLN 143 CO 0.11 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.04 1tei n GLY 144 N 0.40 2.51 0.94 3.09 0.00 -1.26 -2.00 105.19 108.87 1tei n GLY 144 Ca -0.14 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 3.74 2.71 -4.72 1.61 8.00 0.11 -4.95 116.55 123.05 1tei n ASP 145 Ca 0.00 -2.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.01 1tei n ASP 145 Cb 0.00 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.46 3.63 0.03 2.24 0.00 -1.12 -4.09 121.76 120.98 1tei s ALA 146 Ca 0.32 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1tei s ALA 146 Cb 0.18 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1tei s ALA 146 CO 0.20 -0.65 0.04 0.95 0.00 0.00 0.00 175.76 176.30 1tei s THR 147 N 0.82 0.13 0.40 0.00 -4.23 -0.06 -4.72 115.64 107.98 1tei s THR 147 Ca 0.64 -1.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1tei s THR 147 Cb -0.39 -0.65 -0.06 0.00 1.34 0.00 0.00 72.50 72.74 1tei s THR 147 CO 0.33 -0.58 0.03 0.42 -0.54 0.00 0.00 174.62 174.29 1tei s THR 148 N -2.12 1.56 0.00 3.99 -4.23 -1.26 -0.16 115.64 113.42 1tei s THR 148 Ca -0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1tei s THR 148 Cb -0.05 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1tei s THR 148 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1tei n GLY 149 N -0.93 2.95 3.56 3.99 0.00 -1.06 -4.53 105.19 109.17 1tei n GLY 149 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.96 3.16 -1.29 2.61 2.01 -1.25 -2.34 115.64 115.59 1tei s THR 150 Ca 0.00 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1tei s THR 150 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1tei s THR 150 CO 0.00 -0.35 0.00 0.47 -0.69 0.00 0.00 174.62 174.05 1tei n ASP 151 N 16.18 -4.73 0.00 3.53 8.00 -1.26 -1.72 116.55 136.55 1tei n ASP 151 Ca 0.39 0.30 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1tei n ASP 151 Cb 0.48 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 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 -1.14 0.54 3.80 0.44 0.00 -0.99 -4.98 105.19 102.87 1tei n GLY 152 Ca -0.12 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.43 4.71 -0.29 1.61 0.01 -0.70 -0.72 114.94 117.13 1tei s ASN 153 Ca 0.00 -0.92 -0.05 0.00 -0.71 0.00 0.00 52.86 51.19 1tei s ASN 153 Cb 0.00 -0.53 0.03 0.00 0.41 0.00 0.00 41.25 41.15 1tei s ASN 153 CO 0.00 -0.58 0.03 -0.22 -1.51 0.00 0.00 177.10 174.82 1tei s LEU 154 N -4.00 3.76 -0.49 0.60 2.96 -0.72 -2.56 118.68 118.22 1tei s LEU 154 Ca 0.44 -0.92 -0.18 0.00 -0.22 0.00 0.00 54.13 53.26 1tei s LEU 154 Cb 0.01 -1.79 0.07 0.00 0.50 0.00 0.00 46.19 44.97 1tei s LEU 154 CO 0.25 -0.21 0.53 -1.61 -1.32 0.00 0.00 176.35 173.99 1tei s GLU 155 N 1.40 3.06 0.22 1.98 0.41 0.77 -0.62 118.70 125.91 1tei s GLU 155 Ca -0.00 -1.09 -0.05 0.00 -0.41 0.00 0.00 54.97 53.41 1tei s GLU 155 Cb -0.18 -4.12 0.19 0.00 -1.78 0.00 0.00 34.13 28.25 1tei s GLU 155 CO 0.00 -1.14 1.68 -0.07 -0.49 0.00 0.00 175.26 175.24 1tei h LEU 156 N 9.30 0.89 -9.09 1.80 3.38 -1.71 -0.13 115.31 119.75 1tei h LEU 156 Ca -0.28 -0.25 -0.65 0.00 0.09 0.00 0.00 57.88 56.79 1tei h LEU 156 Cb 1.10 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 1tei h LEU 156 CO 0.93 0.98 -0.80 0.42 0.09 0.00 0.00 178.44 180.06 1tei s THR 157 N -4.92 2.53 0.17 0.22 -4.23 -1.26 -2.95 115.64 105.19 1tei s THR 157 Ca -0.10 -1.95 -0.34 0.00 -1.18 0.00 0.00 61.69 58.13 1tei s THR 157 Cb 0.14 -2.22 -0.13 0.00 1.34 0.00 0.00 72.50 71.63 1tei s THR 157 CO 0.84 -0.11 1.61 -1.14 -0.54 0.00 0.00 174.62 175.28 1tei n ARG 158 N 0.24 2.27 -4.62 3.99 0.63 -1.26 -4.74 116.66 113.17 1tei n ARG 158 Ca -0.12 0.82 -0.25 0.00 -0.92 0.00 0.00 57.85 57.38 1tei n ARG 158 Cb 0.56 -2.60 -0.17 0.00 0.45 0.00 0.00 32.46 30.70 1tei n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1tei s VAL 159 N 1.02 1.17 1.07 5.15 1.01 -1.26 -1.57 120.40 126.99 1tei s VAL 159 Ca 0.78 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 1tei s VAL 159 Cb -0.65 -1.07 0.23 0.00 0.00 0.00 0.00 36.38 34.89 1tei s VAL 159 CO 0.37 0.36 1.07 -0.94 0.00 0.00 0.00 175.10 175.96 1tei s SER 160 N 0.63 1.93 0.46 3.32 1.04 -0.17 -4.85 113.70 116.05 1tei s SER 160 Ca -0.14 1.30 0.17 0.00 0.48 0.00 0.00 55.95 57.76 1tei s SER 160 Cb -0.16 -2.01 1.13 0.00 0.10 0.00 0.00 66.02 65.08 1tei s SER 160 CO 0.04 -3.58 1.98 0.77 0.98 0.00 0.00 173.24 173.43 1tei h SER 161 N -2.20 0.27 0.57 7.02 4.64 -2.01 0.15 113.55 121.99 1tei h SER 161 Ca -0.58 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1tei h SER 161 Cb 1.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1tei h SER 161 CO 0.55 0.16 -0.24 -0.46 -0.87 0.00 0.00 176.83 175.97 1tei n ASN 162 N -4.45 0.40 0.00 4.97 0.23 -1.26 -4.95 115.26 110.19 1tei n ASN 162 Ca 0.10 -0.19 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 1tei n ASN 162 Cb 0.44 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 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 1.42 0.80 3.75 4.83 0.00 0.53 -5.08 105.19 111.44 1tei n GLY 163 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.88 7.18 0.60 1.61 1.04 -1.26 -4.64 113.70 116.34 1tei s SER 164 Ca 0.00 2.24 -0.18 0.00 0.48 0.00 0.00 55.95 58.49 1tei s SER 164 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 1tei s SER 164 CO 0.00 -0.26 1.13 -2.16 0.98 0.00 0.00 173.24 172.92 1tei s PRO 165 N -0.79 3.09 0.08 4.02 0.04 -1.26 -1.00 135.00 139.17 1tei s PRO 165 Ca 0.49 1.54 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1tei s PRO 165 Cb -0.32 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1tei s PRO 165 CO 0.39 -1.05 0.00 -0.65 0.04 0.00 0.00 177.00 175.73 1tei s GLN 166 N -3.63 2.58 0.85 4.56 -1.52 -0.61 -4.85 119.66 117.05 1tei s GLN 166 Ca 0.71 -0.81 -0.09 0.00 -1.95 0.00 0.00 55.36 53.22 1tei s GLN 166 Cb -0.23 -2.56 0.17 0.00 -0.22 0.00 0.00 33.01 30.17 1tei s GLN 166 CO 0.33 0.55 1.17 0.20 -0.25 0.00 0.00 175.29 177.30 1tei s GLY 167 N -2.22 1.77 -1.27 3.09 0.00 -1.26 -4.47 107.32 102.97 1tei s GLY 167 Ca 0.25 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 1tei s GLY 167 CO 0.17 -0.80 0.60 1.44 0.00 0.00 0.00 173.10 174.51 1tei n SER 168 N -3.33 -2.97 -4.07 1.64 7.64 -0.25 -4.88 113.62 107.41 1tei n SER 168 Ca 0.15 -1.07 -0.18 0.00 1.01 0.00 0.00 58.87 58.78 1tei n SER 168 Cb 0.60 -2.89 -0.14 0.00 -1.01 0.00 0.00 64.21 60.77 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 -3.86 1.19 0.00 6.43 0.15 -1.21 -4.96 113.70 111.45 1tei s SER 169 Ca 0.28 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1tei s SER 169 Cb -0.12 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1tei s SER 169 CO 0.90 0.03 -0.01 0.68 1.20 0.00 0.00 173.24 176.03 1tei s VAL 170 N -0.62 0.09 -0.01 4.45 -7.23 -1.26 -1.27 120.40 114.54 1tei s VAL 170 Ca 0.00 -0.22 -0.27 0.00 -1.81 0.00 0.00 61.98 59.69 1tei s VAL 170 Cb -0.06 -0.12 0.06 0.00 0.56 0.00 0.00 36.38 36.82 1tei s VAL 170 CO 0.00 -0.08 0.59 -0.83 -0.31 0.00 0.00 175.10 174.47 1tei s GLY 171 N -0.32 -0.49 0.08 2.32 0.00 -0.92 0.06 107.32 108.05 1tei s GLY 171 Ca -0.03 0.99 -0.10 0.00 0.00 0.00 0.00 44.72 45.59 1tei s GLY 171 CO -0.00 0.67 0.21 0.50 0.00 0.00 0.00 173.10 174.48 1tei s ARG 172 N -1.61 0.82 -0.09 2.90 0.52 -0.85 -1.88 118.95 118.77 1tei s ARG 172 Ca -0.10 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1tei s ARG 172 Cb -0.01 0.34 0.05 0.00 0.52 0.00 0.00 34.95 35.85 1tei s ARG 172 CO 0.06 -0.26 0.18 0.00 0.02 0.00 0.00 175.30 175.30 1tei s ALA 173 N -3.48 -0.26 0.03 2.13 0.00 -0.60 -0.76 121.76 118.83 1tei s ALA 173 Ca 0.02 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1tei s ALA 173 Cb 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1tei s ALA 173 CO -0.09 -0.54 -0.23 -0.51 0.00 0.00 0.00 175.76 174.39 1tei s LEU 174 N 2.20 2.32 0.26 0.00 1.02 -0.45 -0.95 118.68 123.08 1tei s LEU 174 Ca 0.01 -0.51 -0.30 0.00 0.02 0.00 0.00 54.13 53.35 1tei s LEU 174 Cb -0.12 -1.37 -0.10 0.00 0.02 0.00 0.00 46.19 44.62 1tei s LEU 174 CO -0.06 0.27 1.31 0.12 0.02 0.00 0.00 176.35 178.00 1tei s PHE 175 N -0.82 3.18 0.18 0.29 5.36 -0.66 -0.39 117.98 125.11 1tei s PHE 175 Ca 0.12 1.30 -0.14 0.00 -0.96 0.00 0.00 56.93 57.25 1tei s PHE 175 Cb -0.10 -3.63 0.15 0.00 -0.34 0.00 0.00 43.02 39.10 1tei s PHE 175 CO 0.03 -1.88 1.70 -0.92 -1.46 0.00 0.00 175.22 172.69 1tei h TYR 176 N 4.50 0.04 -3.76 10.12 3.20 -1.13 -3.43 116.97 126.50 1tei h TYR 176 Ca -0.47 0.03 -0.49 0.00 3.14 0.00 0.00 58.73 60.95 1tei h TYR 176 Cb 1.22 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 1tei h TYR 176 CO 0.59 -0.06 0.33 0.00 -1.64 0.00 0.00 178.16 177.39 1tei s ALA 177 N -6.16 3.32 0.48 1.82 0.00 -1.26 -5.03 121.76 114.93 1tei s ALA 177 Ca -0.13 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1tei s ALA 177 Cb 0.15 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 1tei s ALA 177 CO 0.72 0.21 1.19 -2.14 0.00 0.00 0.00 175.76 175.74 1tei s PRO 178 N -1.39 3.60 -0.10 0.00 0.02 -1.26 -4.81 135.00 131.06 1tei s PRO 178 Ca 0.43 1.84 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1tei s PRO 178 Cb -0.24 -2.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 1tei s PRO 178 CO 0.30 -0.70 -0.11 0.08 -0.33 0.00 0.00 177.00 176.24 1tei s VAL 179 N -1.53 3.32 -1.01 3.83 1.01 0.12 -4.93 120.40 121.22 1tei s VAL 179 Ca 0.66 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1tei s VAL 179 Cb -0.30 -2.37 0.14 0.00 0.00 0.00 0.00 36.38 33.85 1tei s VAL 179 CO 0.36 0.55 1.22 -2.28 0.00 0.00 0.00 175.10 174.95 1tei s HIS 180 N -0.18 3.22 0.36 5.22 2.46 -1.26 -0.74 115.29 124.36 1tei s HIS 180 Ca 0.01 -1.59 0.27 0.00 0.47 0.00 0.00 55.06 54.22 1tei s HIS 180 Cb -0.13 -4.30 1.36 0.00 -0.13 0.00 0.00 32.58 29.38 1tei s HIS 180 CO 0.03 -1.47 2.02 0.97 -2.47 0.00 0.00 174.74 173.83 1tei h ILE 181 N 5.52 0.54 -2.66 0.89 6.09 -1.72 -3.47 117.51 122.70 1tei h ILE 181 Ca 0.20 -0.65 0.09 0.00 -1.37 0.00 0.00 64.86 63.14 1tei h ILE 181 Cb 0.98 1.43 -0.09 0.00 0.47 0.00 0.00 36.82 39.61 1tei h ILE 181 CO 1.15 0.13 0.35 -1.66 -3.07 0.00 0.00 178.15 175.06 1tei s TRP 182 N -4.07 -0.27 -0.25 2.19 1.48 -1.23 -4.80 118.94 111.99 1tei s TRP 182 Ca -0.02 -0.03 -0.21 0.00 -1.06 0.00 0.00 56.10 54.78 1tei s TRP 182 Cb 0.12 0.63 0.07 0.00 -1.16 0.00 0.00 33.47 33.13 1tei s TRP 182 CO 0.59 -0.91 0.65 -2.00 -4.06 0.00 0.00 176.95 171.23 1tei s GLU 183 N -3.54 0.74 0.55 3.25 2.12 -1.26 -4.80 118.70 115.75 1tei s GLU 183 Ca 0.08 0.97 0.26 0.00 0.36 0.00 0.00 54.97 56.64 1tei s GLU 183 Cb -0.03 0.31 1.45 0.00 0.26 0.00 0.00 34.13 36.12 1tei s GLU 183 CO -0.01 -0.11 2.01 0.66 -0.54 0.00 0.00 175.26 177.27 1tei h SER 184 N 5.58 0.00 -0.45 -1.70 4.64 -2.02 -0.70 113.55 118.90 1tei h SER 184 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1tei h SER 184 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1tei h SER 184 CO 0.11 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.87 1tei n SER 185 N -4.21 2.58 -4.67 4.97 7.64 -1.26 -4.92 113.62 113.75 1tei n SER 185 Ca 0.07 -2.05 -0.40 0.00 1.01 0.00 0.00 58.87 57.50 1tei n SER 185 Cb 0.53 -0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.45 3.50 0.12 -0.43 0.00 -0.27 -3.39 121.76 119.84 1tei s ALA 186 Ca 0.31 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 1tei s ALA 186 Cb 0.17 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.23 1tei s ALA 186 CO 0.20 -0.47 1.45 0.28 0.00 0.00 0.00 175.76 177.22 1tei h VAL 187 N 5.09 1.29 -3.28 0.00 2.07 0.14 -3.45 116.25 118.10 1tei h VAL 187 Ca -0.33 -1.48 -0.20 0.00 0.82 0.00 0.00 66.70 65.51 1tei h VAL 187 Cb 1.15 1.47 -0.28 0.00 -1.52 0.00 0.00 31.29 32.11 1tei h VAL 187 CO 0.78 0.49 -0.54 -0.69 0.02 0.00 0.00 177.57 177.63 1tei s VAL 188 N -4.41 -0.01 -0.01 2.57 1.01 -1.12 -4.87 120.40 113.55 1tei s VAL 188 Ca -0.12 0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1tei s VAL 188 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1tei s VAL 188 CO 0.85 0.02 -0.05 0.00 0.00 0.00 0.00 175.10 175.93 1tei s ALA 189 N 0.44 0.47 0.17 5.51 0.00 -1.26 0.03 121.76 127.12 1tei s ALA 189 Ca -0.03 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1tei s ALA 189 Cb -0.04 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 22.96 1tei s ALA 189 CO -0.02 0.08 0.61 -1.54 0.00 0.00 0.00 175.76 174.89 1tei s SER 190 N 0.13 -0.54 0.14 0.00 1.04 -0.58 -0.34 113.70 113.56 1tei s SER 190 Ca -0.01 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 1tei s SER 190 Cb -0.05 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1tei s SER 190 CO -0.00 -1.00 0.34 0.72 0.98 0.00 0.00 173.24 174.28 1tei s PHE 191 N -3.77 0.09 -0.18 5.02 -0.12 -0.81 -1.04 117.98 117.18 1tei s PHE 191 Ca 0.02 -0.46 -0.14 0.00 -0.05 0.00 0.00 56.93 56.30 1tei s PHE 191 Cb -0.01 0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.54 1tei s PHE 191 CO -0.11 -0.72 0.46 -2.00 -0.05 0.00 0.00 175.22 172.80 1tei s GLU 192 N -3.89 0.50 0.05 1.99 2.12 0.04 -2.28 118.70 117.23 1tei s GLU 192 Ca 0.09 0.72 0.04 0.00 0.36 0.00 0.00 54.97 56.18 1tei s GLU 192 Cb 0.02 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 1tei s GLU 192 CO -0.06 -0.10 -0.11 0.00 -0.54 0.00 0.00 175.26 174.46 1tei s ALA 193 N 0.67 0.86 -0.12 6.30 0.00 -0.26 -0.56 121.76 128.66 1tei s ALA 193 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1tei s ALA 193 Cb -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1tei s ALA 193 CO -0.05 0.09 0.31 0.99 0.00 0.00 0.00 175.76 177.10 1tei s THR 194 N -1.21 -0.01 -0.12 0.00 2.01 -0.64 -0.86 115.64 114.82 1tei s THR 194 Ca -0.05 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 1tei s THR 194 Cb -0.09 -0.44 0.05 0.00 0.01 0.00 0.00 72.50 72.03 1tei s THR 194 CO 0.01 0.01 0.55 0.72 -0.69 0.00 0.00 174.62 175.22 1tei s PHE 195 N 0.35 -0.55 -0.10 4.92 -0.71 -0.76 -0.66 117.98 120.48 1tei s PHE 195 Ca -0.02 1.16 -0.01 0.00 -1.04 0.00 0.00 56.93 57.02 1tei s PHE 195 Cb -0.03 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1tei s PHE 195 CO -0.01 -0.42 -0.05 0.95 -1.34 0.00 0.00 175.22 174.35 1tei s THR 196 N -0.48 3.84 0.26 -4.49 -4.23 -0.87 -0.78 115.64 108.88 1tei s THR 196 Ca -0.06 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1tei s THR 196 Cb -0.03 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 1tei s THR 196 CO 0.04 0.57 0.01 0.72 -0.54 0.00 0.00 174.62 175.42 1tei s PHE 197 N -0.42 1.72 -0.25 3.99 -0.71 -0.69 -0.41 117.98 121.21 1tei s PHE 197 Ca 0.07 -0.91 -0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1tei s PHE 197 Cb -0.12 -1.03 0.08 0.00 -1.21 0.00 0.00 43.02 40.74 1tei s PHE 197 CO 0.02 0.01 0.11 -1.17 -1.34 0.00 0.00 175.22 172.85 1tei s LEU 198 N -3.37 0.63 -0.35 -1.99 2.96 -0.01 -1.08 118.68 115.47 1tei s LEU 198 Ca 0.31 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.03 1tei s LEU 198 Cb 0.06 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1tei s LEU 198 CO 0.11 -0.40 0.22 -0.63 -1.32 0.00 0.00 176.35 174.33 1tei s ILE 199 N 2.07 4.93 -0.08 6.68 1.01 -1.26 -2.85 121.20 131.70 1tei s ILE 199 Ca 0.06 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1tei s ILE 199 Cb -0.16 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1tei s ILE 199 CO -0.26 -0.09 -0.21 -0.75 0.00 0.00 0.00 174.94 173.64 1tei s LYS 200 N 1.65 2.52 -0.06 2.79 2.20 -1.23 -0.95 119.74 126.66 1tei s LYS 200 Ca 0.05 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1tei s LYS 200 Cb -0.18 -1.99 0.03 0.00 -1.51 0.00 0.00 37.83 34.18 1tei s LYS 200 CO 0.08 0.19 0.02 0.45 -0.36 0.00 0.00 175.35 175.73 1tei s SER 201 N 0.28 1.28 0.19 1.43 0.15 -1.26 -0.40 113.70 115.37 1tei s SER 201 Ca -0.13 -0.02 0.08 0.00 0.70 0.00 0.00 55.95 56.58 1tei s SER 201 Cb -0.16 -0.31 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1tei s SER 201 CO 0.06 -0.20 1.42 -0.65 1.20 0.00 0.00 173.24 175.08 1tei h PRO 202 N 8.21 0.00 -7.62 5.44 0.11 -1.99 -3.46 132.00 132.70 1tei h PRO 202 Ca -0.20 -0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.45 1tei h PRO 202 Cb 1.12 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.35 1tei h PRO 202 CO 0.25 0.84 0.37 0.16 -0.21 0.00 0.00 178.00 179.42 1tei s ASP 203 N -6.77 4.10 0.00 -2.05 -4.77 -1.26 -5.05 116.67 100.87 1tei s ASP 203 Ca 0.00 0.52 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 1tei s ASP 203 Cb 0.11 -0.89 0.00 0.00 -1.09 0.00 0.00 42.92 41.06 1tei s ASP 203 CO 0.80 -2.12 0.04 -1.54 0.70 0.00 0.00 175.17 173.04 1tei n SER 204 N -3.38 0.00 -4.48 2.11 3.41 -1.26 -4.50 113.62 105.51 1tei n SER 204 Ca 0.11 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.39 1tei n SER 204 Cb 0.60 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.43 1tei n SER 204 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1tei s HIS 205 N -0.07 3.12 0.77 7.33 3.76 -1.26 -5.10 115.29 123.84 1tei s HIS 205 Ca 0.00 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 1tei s HIS 205 Cb 0.00 -2.26 0.06 0.00 1.11 0.00 0.00 32.58 31.49 1tei s HIS 205 CO 0.00 -0.30 1.16 -2.14 -0.85 0.00 0.00 174.74 172.60 1tei s PRO 206 N 1.61 1.99 -0.08 8.40 0.02 -1.26 -4.71 135.00 140.96 1tei s PRO 206 Ca 0.06 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 1tei s PRO 206 Cb -0.15 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.63 1tei s PRO 206 CO 0.05 -1.91 0.86 0.00 -0.33 0.00 0.00 177.00 175.67 1tei s ALA 207 N -2.37 -1.84 -0.09 -1.55 0.00 -1.21 -3.85 121.76 110.84 1tei s ALA 207 Ca 0.69 1.34 0.10 0.00 0.00 0.00 0.00 51.96 54.09 1tei s ALA 207 Cb -0.24 -0.20 -0.14 0.00 0.00 0.00 0.00 23.12 22.54 1tei s ALA 207 CO 0.50 -0.42 0.07 -0.25 0.00 0.00 0.00 175.76 175.65 1tei n ASP 208 N 0.54 2.32 0.00 0.00 10.43 0.53 -2.85 116.55 127.52 1tei n ASP 208 Ca -0.13 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.23 1tei n ASP 208 Cb 0.59 0.87 0.00 0.00 1.84 0.00 0.00 41.12 44.42 1tei n ASP 208 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1tei n GLY 209 N 2.26 1.84 3.31 0.44 0.00 -1.21 -1.86 105.19 109.98 1tei n GLY 209 Ca -0.16 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.80 1.75 -0.15 -0.61 1.01 -0.66 -2.56 121.20 118.18 1tei s ILE 210 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 60.65 58.71 1tei s ILE 210 Cb 0.00 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.76 1tei s ILE 210 CO 0.00 -0.26 0.39 0.00 0.00 0.00 0.00 174.94 175.07 1tei s ALA 211 N -1.85 -0.97 -0.17 9.38 0.00 0.13 0.16 121.76 128.44 1tei s ALA 211 Ca 0.13 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 1tei s ALA 211 Cb -0.07 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1tei s ALA 211 CO 0.06 -0.19 0.17 0.12 0.00 0.00 0.00 175.76 175.92 1tei s PHE 212 N 0.28 3.46 0.16 0.00 5.36 -0.33 -0.09 117.98 126.81 1tei s PHE 212 Ca -0.01 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.39 1tei s PHE 212 Cb -0.03 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 1tei s PHE 212 CO -0.00 0.37 0.08 -0.59 -1.46 0.00 0.00 175.22 173.61 1tei s PHE 213 N 0.09 1.03 -0.05 10.12 -0.71 0.02 -0.89 117.98 127.58 1tei s PHE 213 Ca 0.11 -1.25 0.02 0.00 -1.04 0.00 0.00 56.93 54.76 1tei s PHE 213 Cb -0.12 -0.55 0.02 0.00 -1.21 0.00 0.00 43.02 41.16 1tei s PHE 213 CO 0.01 -0.51 -0.08 0.42 -1.34 0.00 0.00 175.22 173.71 1tei s ILE 214 N -4.03 0.81 0.35 -4.49 1.01 0.11 -0.90 121.20 114.06 1tei s ILE 214 Ca 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1tei s ILE 214 Cb 0.07 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1tei s ILE 214 CO 0.06 0.28 0.42 -0.94 0.00 0.00 0.00 174.94 174.76 1tei s SER 215 N 0.79 1.25 0.45 3.58 1.04 -0.14 -2.27 113.70 118.39 1tei s SER 215 Ca -0.13 -1.61 -0.24 0.00 0.48 0.00 0.00 55.95 54.45 1tei s SER 215 Cb -0.15 0.64 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 1tei s SER 215 CO 0.02 -1.24 1.25 0.54 0.98 0.00 0.00 173.24 174.79 1tei s ASN 216 N -3.30 6.07 0.29 7.02 4.22 -1.23 -0.85 114.94 127.17 1tei s ASN 216 Ca 0.34 2.52 -0.01 0.00 -2.14 0.00 0.00 52.86 53.57 1tei s ASN 216 Cb 0.00 -2.62 0.66 0.00 1.28 0.00 0.00 41.25 40.57 1tei s ASN 216 CO 0.24 -1.00 1.58 0.40 -2.04 0.00 0.00 177.10 176.27 1tei h ILE 217 N 2.03 0.06 -0.22 0.54 2.04 -1.85 -2.15 117.51 117.97 1tei h ILE 217 Ca -0.50 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1tei h ILE 217 Cb 1.26 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1tei h ILE 217 CO 0.61 0.00 0.07 -0.90 0.00 0.00 0.00 178.15 177.93 1tei n ASP 218 N -5.49 2.70 -4.76 1.72 5.75 -1.26 -4.84 116.55 110.36 1tei n ASP 218 Ca 0.21 -2.35 -0.35 0.00 -0.01 0.00 0.00 54.79 52.29 1tei n ASP 218 Cb 0.68 -0.57 0.02 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.04 5.39 0.10 -1.12 0.15 -0.81 -5.05 113.70 112.31 1tei s SER 219 Ca 0.17 2.26 -0.11 0.00 0.70 0.00 0.00 55.95 58.96 1tei s SER 219 Cb 0.13 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 1tei s SER 219 CO 0.04 -1.45 0.26 -0.94 1.20 0.00 0.00 173.24 172.36 1tei s SER 220 N -1.77 -0.01 0.05 5.45 1.04 -1.26 -5.09 113.70 112.12 1tei s SER 220 Ca 0.74 -0.51 -0.32 0.00 0.48 0.00 0.00 55.95 56.35 1tei s SER 220 Cb -0.27 0.38 -0.11 0.00 0.10 0.00 0.00 66.02 66.13 1tei s SER 220 CO 0.31 -0.76 1.88 -0.38 0.98 0.00 0.00 173.24 175.28 1tei n ILE 221 N -0.06 0.53 -2.05 -1.02 5.41 -1.26 -4.94 119.36 115.97 1tei n ILE 221 Ca -0.16 -0.10 -0.38 0.00 1.00 0.00 0.00 62.75 63.12 1tei n ILE 221 Cb 0.63 -2.11 0.01 0.00 -0.71 0.00 0.00 39.64 37.46 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 3.50 3.49 0.06 0.38 0.02 -1.26 -4.91 135.00 136.28 1tei s PRO 222 Ca 0.86 1.97 -0.33 0.00 0.02 0.00 0.00 61.00 63.53 1tei s PRO 222 Cb -0.52 -2.34 -0.12 0.00 0.02 0.00 0.00 34.50 31.54 1tei s PRO 222 CO 0.42 -0.83 1.77 0.43 -0.33 0.00 0.00 177.00 178.47 1tei n SER 223 N -0.72 3.56 -2.28 2.53 7.64 -1.26 -1.86 113.62 121.22 1tei n SER 223 Ca 0.09 1.01 -0.18 0.00 1.01 0.00 0.00 58.87 60.80 1tei n SER 223 Cb 0.47 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 62.23 1tei n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tei n GLY 224 N 4.04 -0.30 1.65 0.23 0.00 -1.26 -4.90 105.19 104.65 1tei n GLY 224 Ca 0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.53 3.49 -3.12 1.61 3.41 -0.78 -4.92 113.62 111.78 1tei n SER 225 Ca -0.13 -2.87 -0.17 0.00 -0.26 0.00 0.00 58.87 55.43 1tei n SER 225 Cb 0.62 -0.68 0.14 0.00 -0.26 0.00 0.00 64.21 64.02 1tei n SER 225 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1tei n THR 226 N -0.33 0.00 -2.30 6.66 -1.04 -1.26 -0.79 114.28 115.22 1tei n THR 226 Ca 0.32 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1tei n THR 226 Cb 1.12 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1tei n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tei n GLY 227 N -1.02 2.27 0.41 3.41 0.00 -0.04 -2.79 105.19 107.42 1tei n GLY 227 Ca 0.09 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.89 -0.88 114.38 113.33 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 -0.14 1.28 0.10 0.00 0.00 179.97 181.21 1tei n LEU 229 N -2.94 0.15 -1.31 0.08 4.77 -1.12 -4.95 117.00 111.68 1tei n LEU 229 Ca 0.09 0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1tei n LEU 229 Cb 1.06 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1tei n LEU 229 CO 0.13 0.04 -0.14 0.18 -1.33 0.00 0.00 177.39 176.26 1tei n LEU 230 N -1.48 -0.98 -0.34 2.23 4.77 -0.34 -1.82 117.00 119.05 1tei n LEU 230 Ca 0.07 0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 1tei n LEU 230 Cb 0.34 -2.36 -0.02 0.00 -2.33 0.00 0.00 43.42 39.05 1tei n LEU 230 CO 0.29 -0.87 -0.04 0.61 -1.33 0.00 0.00 177.39 176.05 1tei n GLY 231 N -0.18 0.68 0.03 -0.72 0.00 0.03 -3.93 105.19 101.10 1tei n GLY 231 Ca -0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.50 0.83 -4.49 0.99 4.77 -0.75 -4.40 117.00 113.45 1tei n LEU 232 Ca -0.04 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 1tei n LEU 232 Cb 0.25 0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 1tei n LEU 232 CO 0.07 0.27 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.55 1tei s PHE 233 N -2.13 2.57 0.11 -1.77 0.08 -1.15 -4.83 117.98 110.86 1tei s PHE 233 Ca -0.05 -0.24 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1tei s PHE 233 Cb 0.02 -1.40 -0.15 0.00 -0.57 0.00 0.00 43.02 40.92 1tei s PHE 233 CO 0.20 0.34 1.28 -1.00 -0.10 0.00 0.00 175.22 175.94 1tei h PRO 234 N 4.04 0.63 -4.93 0.24 0.13 -1.92 -3.42 132.00 126.76 1tei h PRO 234 Ca -0.49 -0.61 -0.48 0.00 -0.87 0.00 0.00 66.00 63.55 1tei h PRO 234 Cb 1.16 0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1tei h PRO 234 CO 0.47 1.22 -0.52 0.16 -0.23 0.00 0.00 178.00 179.10 1tei s ASP 235 N -7.16 1.94 -0.14 1.44 1.47 -1.26 -4.86 116.67 108.10 1tei s ASP 235 Ca -0.08 -1.68 0.15 0.00 1.18 0.00 0.00 52.55 52.11 1tei s ASP 235 Cb 0.08 0.51 0.67 0.00 -0.34 0.00 0.00 42.92 43.84 1tei s ASP 235 CO 0.90 -0.98 1.55 0.00 0.68 0.00 0.00 175.17 177.31 1tei n ALA 236 N -0.69 3.29 0.50 2.11 0.00 -1.26 -4.73 120.51 119.72 1tei n ALA 236 Ca 0.02 -1.49 0.04 0.00 0.00 0.00 0.00 53.44 52.01 1tei n ALA 236 Cb 0.64 -1.06 0.24 0.00 0.00 0.00 0.00 19.45 19.27 1tei n ALA 236 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79