#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 4.03 -0.31 0.00 1.01 -1.26 -5.00 116.67 115.13 1tei s ASP 2 Ca 0.00 2.45 -0.10 0.00 0.71 0.00 0.00 52.55 55.61 1tei s ASP 2 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1tei s ASP 2 CO 0.00 -2.38 0.17 -0.89 0.21 0.00 0.00 175.17 172.28 1tei s THR 3 N -1.86 4.72 -0.05 -1.27 2.01 -1.26 -5.04 115.64 112.88 1tei s THR 3 Ca 0.77 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1tei s THR 3 Cb -0.32 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1tei s THR 3 CO 0.46 0.06 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.59 1tei s ILE 4 N 1.63 1.90 -0.11 1.82 -1.09 -1.26 -3.66 121.20 120.43 1tei s ILE 4 Ca 0.05 -0.98 -0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1tei s ILE 4 Cb -0.17 -1.61 0.02 0.00 -1.58 0.00 0.00 42.46 39.12 1tei s ILE 4 CO 0.07 0.53 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.54 1tei s VAL 5 N -0.11 1.05 0.11 2.92 1.01 -0.96 0.39 120.40 124.81 1tei s VAL 5 Ca -0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1tei s VAL 5 Cb -0.13 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1tei s VAL 5 CO 0.03 0.37 0.16 0.00 0.00 0.00 0.00 175.10 175.67 1tei s ALA 6 N 1.66 0.15 -0.22 5.51 0.00 -0.35 -0.55 121.76 127.97 1tei s ALA 6 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1tei s ALA 6 Cb -0.13 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1tei s ALA 6 CO -0.08 -0.53 -0.10 0.08 0.00 0.00 0.00 175.76 175.13 1tei s VAL 7 N -3.94 1.76 -0.04 0.00 1.01 0.05 -0.56 120.40 118.68 1tei s VAL 7 Ca 0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1tei s VAL 7 Cb 0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1tei s VAL 7 CO -0.05 0.11 0.11 -1.83 0.00 0.00 0.00 175.10 173.43 1tei s GLU 8 N 1.33 3.22 -0.87 2.72 -1.05 -0.15 -1.02 118.70 122.89 1tei s GLU 8 Ca -0.03 -0.36 -0.00 0.00 -0.15 0.00 0.00 54.97 54.43 1tei s GLU 8 Cb -0.17 -2.98 0.21 0.00 -0.44 0.00 0.00 34.13 30.75 1tei s GLU 8 CO -0.07 0.69 0.75 1.28 0.95 0.00 0.00 175.26 178.86 1tei n LEU 9 N 1.44 4.04 -4.60 1.83 4.32 0.87 -1.07 117.00 123.83 1tei n LEU 9 Ca -0.15 -5.16 -0.43 0.00 -0.02 0.00 0.00 56.01 50.25 1tei n LEU 9 Cb 0.53 -1.03 -0.02 0.00 -1.62 0.00 0.00 43.42 41.28 1tei n LEU 9 CO 0.37 1.61 1.09 -0.62 -1.22 0.00 0.00 177.39 178.62 1tei s ASP 10 N -0.47 6.54 0.18 -1.43 -1.08 0.31 -2.05 116.67 118.67 1tei s ASP 10 Ca 0.28 0.58 0.21 0.00 -0.52 0.00 0.00 52.55 53.10 1tei s ASP 10 Cb -0.06 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.84 1tei s ASP 10 CO -0.13 -1.31 1.03 0.71 0.52 0.00 0.00 175.17 175.99 1tei h THR 11 N 6.30 0.16 -3.21 1.71 1.35 -1.69 -0.10 112.91 117.43 1tei h THR 11 Ca -0.24 -1.31 -0.67 0.00 -0.55 0.00 0.00 66.41 63.64 1tei h THR 11 Cb 1.07 1.70 -0.32 0.00 -1.73 0.00 0.00 68.15 68.87 1tei h THR 11 CO 1.12 0.09 -0.83 -0.47 -0.25 0.00 0.00 175.52 175.17 1tei s TYR 12 N -3.22 2.76 -0.16 4.73 5.04 -1.23 -4.55 117.35 120.71 1tei s TYR 12 Ca -0.01 -1.28 -0.28 0.00 -2.44 0.00 0.00 57.07 53.06 1tei s TYR 12 Cb 0.09 -1.89 -0.00 0.00 0.35 0.00 0.00 41.96 40.51 1tei s TYR 12 CO 0.79 -0.61 0.98 -1.25 -1.34 0.00 0.00 175.55 174.12 1tei s PRO 13 N 0.97 4.34 -0.79 4.97 0.04 -1.26 -4.97 135.00 138.29 1tei s PRO 13 Ca -0.03 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.31 1tei s PRO 13 Cb -0.15 -3.58 0.19 0.00 0.04 0.00 0.00 34.50 31.00 1tei s PRO 13 CO -0.04 -0.43 0.63 -0.80 0.04 0.00 0.00 177.00 176.40 1tei s ASN 14 N 1.15 5.42 0.31 6.66 -0.87 -1.26 -4.93 114.94 121.41 1tei s ASN 14 Ca 0.44 -3.71 0.00 0.00 -1.57 0.00 0.00 52.86 48.03 1tei s ASN 14 Cb -0.17 -1.78 0.52 0.00 -0.02 0.00 0.00 41.25 39.80 1tei s ASN 14 CO 0.13 -0.15 1.93 0.71 -2.57 0.00 0.00 177.10 177.14 1tei h THR 15 N 4.32 1.10 -0.08 1.60 1.35 -1.85 -1.69 112.91 117.66 1tei h THR 15 Ca 0.14 -0.35 0.02 0.00 -0.55 0.00 0.00 66.41 65.66 1tei h THR 15 Cb 0.80 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1tei h THR 15 CO 0.79 0.19 0.34 -2.24 -0.25 0.00 0.00 175.52 174.34 1tei h ASP 16 N 1.03 0.00 -0.20 5.36 2.03 -1.92 0.57 116.42 123.29 1tei h ASP 16 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1tei h ASP 16 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1tei h ASP 16 CO -0.12 0.00 0.00 2.30 -1.03 0.00 0.00 179.24 180.39 1tei n ILE 17 N -3.06 1.86 0.00 4.15 -5.35 -0.67 -4.97 119.36 111.31 1tei n ILE 17 Ca -0.00 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.75 1tei n ILE 17 Cb 0.41 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 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 -0.52 0.42 3.76 3.28 0.00 0.19 -4.75 105.19 107.58 1tei n GLY 18 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.14 5.59 0.80 1.61 1.11 -1.00 -4.94 116.67 117.70 1tei s ASP 19 Ca 0.00 2.40 -0.11 0.00 0.18 0.00 0.00 52.55 55.02 1tei s ASP 19 Cb 0.00 -2.60 0.07 0.00 1.07 0.00 0.00 42.92 41.46 1tei s ASP 19 CO 0.00 -1.32 1.09 -2.84 1.18 0.00 0.00 175.17 173.28 1tei s PRO 20 N -3.04 2.06 0.00 8.23 0.02 -1.26 -4.20 135.00 136.81 1tei s PRO 20 Ca 0.71 0.70 0.00 0.00 0.02 0.00 0.00 61.00 62.43 1tei s PRO 20 Cb -0.31 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1tei s PRO 20 CO 0.35 -1.65 0.25 -1.13 -0.33 0.00 0.00 177.00 174.49 1tei n SER 21 N -3.46 0.39 -3.91 2.53 3.41 -1.26 -4.63 113.62 106.68 1tei n SER 21 Ca 0.07 -0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 57.72 1tei n SER 21 Cb 0.56 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.12 0.05 0.43 7.33 -0.85 -1.26 -4.96 117.35 116.97 1tei s TYR 22 Ca 0.00 -0.46 -0.26 0.00 -0.52 0.00 0.00 57.07 55.83 1tei s TYR 22 Cb 0.00 0.47 -0.09 0.00 0.38 0.00 0.00 41.96 42.72 1tei s TYR 22 CO 0.00 -1.12 1.45 -2.14 -1.52 0.00 0.00 175.55 172.22 1tei s PRO 23 N -3.96 3.78 0.32 -3.49 0.02 -1.26 -4.64 135.00 125.77 1tei s PRO 23 Ca 0.16 2.47 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 1tei s PRO 23 Cb -0.03 -2.73 0.03 0.00 0.02 0.00 0.00 34.50 31.78 1tei s PRO 23 CO 0.07 -0.76 0.66 -3.38 -0.33 0.00 0.00 177.00 173.26 1tei s HIS 24 N -1.18 0.23 0.04 6.54 -3.43 -0.05 -1.36 115.29 116.08 1tei s HIS 24 Ca 0.59 -0.71 0.09 0.00 -0.80 0.00 0.00 55.06 54.22 1tei s HIS 24 Cb -0.45 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.21 1tei s HIS 24 CO 0.58 -1.30 -0.25 0.96 -2.00 0.00 0.00 174.74 172.74 1tei s ILE 25 N -3.21 2.00 0.14 -5.38 -4.36 -0.87 -0.53 121.20 108.99 1tei s ILE 25 Ca 0.18 -1.31 -0.10 0.00 -0.26 0.00 0.00 60.65 59.16 1tei s ILE 25 Cb -0.04 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1tei s ILE 25 CO 0.11 0.34 0.29 -0.83 0.24 0.00 0.00 174.94 175.09 1tei s GLY 26 N -1.17 0.27 -0.33 6.27 0.00 -0.23 -1.82 107.32 110.31 1tei s GLY 26 Ca 0.10 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 1tei s GLY 26 CO 0.02 -0.73 0.11 -0.42 0.00 0.00 0.00 173.10 172.07 1tei s ILE 27 N -3.92 3.92 -0.23 0.90 1.01 -0.60 -0.98 121.20 121.30 1tei s ILE 27 Ca 0.12 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1tei s ILE 27 Cb 0.03 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1tei s ILE 27 CO -0.04 -0.11 0.10 -1.81 0.00 0.00 0.00 174.94 173.08 1tei s ASP 28 N 1.45 5.58 -0.35 3.58 1.01 0.27 -1.25 116.67 126.96 1tei s ASP 28 Ca -0.00 -0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.22 1tei s ASP 28 Cb -0.19 -2.00 0.09 0.00 1.01 0.00 0.00 42.92 41.84 1tei s ASP 28 CO 0.03 0.05 0.09 -0.63 0.21 0.00 0.00 175.17 174.92 1tei s ILE 29 N 1.15 2.85 -0.47 0.77 -1.09 -1.26 -1.21 121.20 121.94 1tei s ILE 29 Ca 0.05 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 1tei s ILE 29 Cb -0.14 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1tei s ILE 29 CO 0.04 -0.48 0.00 0.29 -1.23 0.00 0.00 174.94 173.56 1tei n LYS 30 N 4.49 -1.78 -3.60 2.79 5.02 0.16 -4.93 118.16 120.31 1tei n LYS 30 Ca -0.04 0.63 -0.16 0.00 -2.02 0.00 0.00 58.31 56.73 1tei n LYS 30 Cb 0.42 -5.04 -0.07 0.00 -0.02 0.00 0.00 35.03 30.32 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 -2.17 -0.58 0.33 4.39 0.15 -1.26 -4.90 113.70 109.65 1tei s SER 31 Ca 0.00 0.77 0.26 0.00 0.70 0.00 0.00 55.95 57.68 1tei s SER 31 Cb 0.00 0.72 1.05 0.00 -1.71 0.00 0.00 66.02 66.08 1tei s SER 31 CO 0.00 -0.47 1.78 1.62 1.20 0.00 0.00 173.24 177.37 1tei h VAL 32 N 3.49 0.00 -1.98 4.45 3.04 -1.88 -3.39 116.25 119.98 1tei h VAL 32 Ca -0.28 -0.33 -0.61 0.00 -1.01 0.00 0.00 66.70 64.47 1tei h VAL 32 Cb 1.15 1.14 -0.12 0.00 -2.01 0.00 0.00 31.29 31.46 1tei h VAL 32 CO 0.31 0.00 1.07 -0.13 -1.01 0.00 0.00 177.57 177.81 1tei s ARG 33 N -3.38 3.41 0.08 4.17 0.52 -1.26 -4.97 118.95 117.52 1tei s ARG 33 Ca 0.04 -1.01 -0.36 0.00 -0.52 0.00 0.00 55.73 53.88 1tei s ARG 33 Cb 0.09 -4.78 -0.18 0.00 0.52 0.00 0.00 34.95 30.61 1tei s ARG 33 CO 0.45 -2.02 1.16 0.43 0.02 0.00 0.00 175.30 175.33 1tei n SER 34 N 8.25 0.85 0.18 0.23 7.64 -1.26 -4.82 113.62 124.69 1tei n SER 34 Ca 0.17 1.14 0.14 0.00 1.01 0.00 0.00 58.87 61.33 1tei n SER 34 Cb 0.49 -1.09 0.48 0.00 -1.01 0.00 0.00 64.21 63.08 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 3.57 0.00 -1.86 1.43 1.79 -1.52 -3.44 116.57 116.54 1tei h LYS 35 Ca -0.47 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1tei h LYS 35 Cb 1.38 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.80 1tei h LYS 35 CO 0.71 0.00 0.23 0.21 -1.08 0.00 0.00 179.45 179.52 1tei s LYS 36 N -3.35 0.72 0.23 3.15 2.47 -1.25 -5.01 119.74 116.70 1tei s LYS 36 Ca 0.05 0.87 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 1tei s LYS 36 Cb 0.09 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.76 1tei s LYS 36 CO 0.52 -0.09 0.14 0.95 0.16 0.00 0.00 175.35 177.04 1tei s THR 37 N 0.40 0.08 -0.16 3.43 -4.23 -1.26 -1.56 115.64 112.33 1tei s THR 37 Ca 0.00 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.36 1tei s THR 37 Cb -0.05 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1tei s THR 37 CO -0.02 0.00 0.45 0.00 -0.54 0.00 0.00 174.62 174.50 1tei s ALA 38 N -4.00 -1.10 0.33 3.99 0.00 -0.76 -4.98 121.76 115.23 1tei s ALA 38 Ca 0.39 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 1tei s ALA 38 Cb 0.06 -0.71 -0.12 0.00 0.00 0.00 0.00 23.12 22.36 1tei s ALA 38 CO 0.14 -0.21 1.50 1.17 0.00 0.00 0.00 175.76 178.36 1tei n LYS 39 N 2.79 2.57 -3.86 0.00 4.81 -1.26 -2.06 118.16 121.16 1tei n LYS 39 Ca -0.13 0.91 -0.27 0.00 -0.87 0.00 0.00 58.31 57.95 1tei n LYS 39 Cb 0.57 -2.63 -0.17 0.00 0.02 0.00 0.00 35.03 32.82 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 -0.61 1.37 -1.34 5.64 -0.00 -0.46 -4.77 118.94 118.76 1tei s TRP 40 Ca 0.59 -0.77 -0.14 0.00 -0.00 0.00 0.00 56.10 55.78 1tei s TRP 40 Cb -0.51 -1.16 0.10 0.00 -0.00 0.00 0.00 33.47 31.89 1tei s TRP 40 CO 0.57 -0.52 1.90 0.09 -0.00 0.00 0.00 176.95 178.99 1tei n ASN 41 N 4.97 4.63 -4.73 5.86 3.02 -1.26 -4.40 115.26 123.35 1tei n ASN 41 Ca -0.11 -2.94 -0.42 0.00 -0.03 0.00 0.00 54.58 51.07 1tei n ASN 41 Cb 0.49 -1.63 -0.01 0.00 -0.61 0.00 0.00 39.78 38.02 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 6.13 2.44 -3.87 3.52 0.00 -1.26 -4.97 117.12 119.10 1tei n MET 42 Ca 0.46 0.86 -0.34 0.00 -0.00 0.00 0.00 57.70 58.68 1tei n MET 42 Cb 0.41 -2.56 -0.13 0.00 0.00 0.00 0.00 33.22 30.94 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 -1.17 1.82 0.00 2.12 -0.21 -1.26 -5.07 119.66 115.89 1tei s GLN 43 Ca 0.60 -1.83 -0.35 0.00 0.02 0.00 0.00 55.36 53.80 1tei s GLN 43 Cb -0.54 -3.43 -0.14 0.00 1.00 0.00 0.00 33.01 29.90 1tei s GLN 43 CO 0.55 -1.01 1.66 -1.71 -2.12 0.00 0.00 175.29 172.66 1tei n ASN 44 N 4.47 2.83 0.00 5.90 2.85 -1.26 -1.92 115.26 128.13 1tei n ASN 44 Ca -0.00 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 1tei n ASN 44 Cb 0.42 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.11 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 3.68 1.26 3.67 8.20 0.00 -0.30 -4.99 105.19 116.70 1tei n GLY 45 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.47 2.57 -0.13 1.61 1.02 -0.81 -4.95 119.74 118.59 1tei s LYS 46 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.91 1tei s LYS 46 Cb 0.00 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1tei s LYS 46 CO 0.00 0.56 1.01 0.08 -0.92 0.00 0.00 175.35 176.08 1tei s VAL 47 N -1.22 4.77 0.47 3.17 1.01 -1.26 -4.19 120.40 123.15 1tei s VAL 47 Ca 0.23 2.02 0.04 0.00 0.00 0.00 0.00 61.98 64.28 1tei s VAL 47 Cb -0.12 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1tei s VAL 47 CO 0.15 -0.03 0.08 -0.83 0.00 0.00 0.00 175.10 174.48 1tei s GLY 48 N 1.12 2.69 -0.03 4.51 0.00 -0.37 -4.60 107.32 110.63 1tei s GLY 48 Ca 0.47 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1tei s GLY 48 CO 0.16 -2.09 -0.09 -1.59 0.00 0.00 0.00 173.10 169.48 1tei s THR 49 N -2.77 0.79 -0.00 0.90 2.01 -0.29 -1.78 115.64 114.49 1tei s THR 49 Ca 0.23 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1tei s THR 49 Cb 0.04 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1tei s THR 49 CO 0.13 0.25 -0.18 0.00 -0.69 0.00 0.00 174.62 174.13 1tei s ALA 50 N 0.25 2.56 -0.05 7.40 0.00 -0.17 -1.54 121.76 130.21 1tei s ALA 50 Ca -0.04 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 1tei s ALA 50 Cb -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1tei s ALA 50 CO 0.01 0.56 0.05 -1.58 0.00 0.00 0.00 175.76 174.79 1tei s HIS 51 N -0.80 0.22 -0.08 0.00 5.04 -0.12 -1.96 115.29 117.59 1tei s HIS 51 Ca 0.13 0.14 0.02 0.00 -1.54 0.00 0.00 55.06 53.81 1tei s HIS 51 Cb -0.10 -0.57 -0.02 0.00 0.04 0.00 0.00 32.58 31.93 1tei s HIS 51 CO 0.02 -0.23 -0.14 0.42 -2.34 0.00 0.00 174.74 172.47 1tei s ILE 52 N 2.12 3.03 0.03 0.89 1.09 0.20 -1.10 121.20 127.45 1tei s ILE 52 Ca 0.05 -0.71 -0.00 0.00 -1.10 0.00 0.00 60.65 58.89 1tei s ILE 52 Cb -0.12 -2.22 -0.02 0.00 -1.06 0.00 0.00 42.46 39.04 1tei s ILE 52 CO -0.04 0.56 -0.03 0.27 -0.10 0.00 0.00 174.94 175.61 1tei s ILE 53 N -0.30 0.16 -0.07 2.92 -4.36 -0.28 -0.79 121.20 118.48 1tei s ILE 53 Ca 0.02 -1.08 -0.27 0.00 -0.26 0.00 0.00 60.65 59.07 1tei s ILE 53 Cb -0.13 -0.50 0.06 0.00 1.25 0.00 0.00 42.46 43.14 1tei s ILE 53 CO 0.03 -0.58 0.61 -0.47 0.24 0.00 0.00 174.94 174.77 1tei s TYR 54 N -1.88 -0.59 -0.15 1.37 6.14 -0.96 -1.40 117.35 119.89 1tei s TYR 54 Ca -0.12 1.07 -0.12 0.00 0.64 0.00 0.00 57.07 58.54 1tei s TYR 54 Cb -0.07 0.33 0.04 0.00 0.42 0.00 0.00 41.96 42.69 1tei s TYR 54 CO -0.02 -0.54 0.39 0.54 0.64 0.00 0.00 175.55 176.56 1tei s ASN 55 N -1.00 -0.42 0.18 4.32 2.20 -1.26 -1.94 114.94 117.02 1tei s ASN 55 Ca -0.10 0.80 0.17 0.00 -0.94 0.00 0.00 52.86 52.79 1tei s ASN 55 Cb -0.02 0.78 0.78 0.00 -2.00 0.00 0.00 41.25 40.80 1tei s ASN 55 CO 0.08 -0.15 1.51 -1.54 -2.94 0.00 0.00 177.10 174.06 1tei n SER 56 N 3.18 0.38 -0.04 3.54 3.41 0.64 -0.80 113.62 123.94 1tei n SER 56 Ca -0.15 0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 58.96 1tei n SER 56 Cb 0.57 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 1tei n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1tei h VAL 57 N 0.00 1.51 0.00 -3.33 2.07 -1.90 -3.34 116.25 111.26 1tei h VAL 57 Ca 0.00 -1.73 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 1tei h VAL 57 Cb 0.16 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1tei h VAL 57 CO 0.00 0.44 -0.93 0.44 0.02 0.00 0.00 177.57 177.54 1tei h ASP 58 N -0.79 0.00 -6.04 0.57 3.32 -1.97 -3.48 116.42 108.04 1tei h ASP 58 Ca -0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 1tei h ASP 58 Cb 0.73 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.35 1tei h ASP 58 CO 0.00 0.38 -0.82 0.29 -1.72 0.00 0.00 179.24 177.37 1tei n LYS 59 N -2.96 -5.15 -4.21 3.56 5.02 0.02 -4.89 118.16 109.55 1tei n LYS 59 Ca -0.03 0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 56.68 1tei n LYS 59 Cb 0.72 -5.27 -0.17 0.00 -0.02 0.00 0.00 35.03 30.29 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 -5.93 1.23 -0.25 1.97 3.52 -1.25 -1.27 118.95 116.97 1tei s ARG 60 Ca 0.03 -0.21 -0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1tei s ARG 60 Cb -0.01 -1.19 -0.05 0.00 -1.56 0.00 0.00 34.95 32.14 1tei s ARG 60 CO 0.80 -0.11 0.15 -1.17 -0.81 0.00 0.00 175.30 174.17 1tei s LEU 61 N 1.10 3.98 0.12 -0.88 2.96 -0.50 -4.01 118.68 121.46 1tei s LEU 61 Ca -0.07 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1tei s LEU 61 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1tei s LEU 61 CO -0.01 0.02 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.45 1tei s SER 62 N 1.35 2.00 -0.01 3.68 0.01 -0.49 -1.36 113.70 118.88 1tei s SER 62 Ca 0.07 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 1tei s SER 62 Cb -0.15 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1tei s SER 62 CO 0.07 -0.13 0.07 0.00 0.41 0.00 0.00 173.24 173.65 1tei s ALA 63 N -2.05 -0.15 -0.04 1.44 0.00 -0.50 -1.12 121.76 119.34 1tei s ALA 63 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1tei s ALA 63 Cb -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1tei s ALA 63 CO 0.03 -0.10 -0.06 0.08 0.00 0.00 0.00 175.76 175.71 1tei s VAL 64 N -0.60 0.59 -0.04 0.00 1.01 -0.26 -2.07 120.40 119.04 1tei s VAL 64 Ca -0.07 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1tei s VAL 64 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1tei s VAL 64 CO 0.00 0.22 -0.18 -0.69 0.00 0.00 0.00 175.10 174.46 1tei s VAL 65 N 0.69 1.46 0.18 2.92 1.01 -0.50 -0.94 120.40 125.21 1tei s VAL 65 Ca -0.10 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1tei s VAL 65 Cb -0.13 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1tei s VAL 65 CO 0.01 0.42 0.57 -0.94 0.00 0.00 0.00 175.10 175.15 1tei s SER 66 N -0.09 -0.41 0.15 3.32 1.04 -0.59 -0.98 113.70 116.14 1tei s SER 66 Ca -0.01 -0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.28 1tei s SER 66 Cb -0.10 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1tei s SER 66 CO 0.01 -1.02 -0.21 -0.31 0.98 0.00 0.00 173.24 172.69 1tei s TYR 67 N -3.81 1.98 0.17 5.02 2.02 -1.26 -1.14 117.35 120.32 1tei s TYR 67 Ca 0.04 -0.42 -0.33 0.00 -0.37 0.00 0.00 57.07 55.99 1tei s TYR 67 Cb -0.01 -1.02 -0.15 0.00 -0.40 0.00 0.00 41.96 40.37 1tei s TYR 67 CO -0.08 0.33 1.30 -2.30 -1.57 0.00 0.00 175.55 173.23 1tei n PRO 68 N 0.60 1.45 -1.83 -1.71 -0.02 -1.26 -1.60 135.00 130.63 1tei n PRO 68 Ca -0.16 0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1tei n PRO 68 Cb 0.55 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.32 -5.57 -4.33 2.55 5.03 -1.26 -4.97 115.26 109.03 1tei n ASN 69 Ca 0.15 0.35 -0.18 0.00 0.87 0.00 0.00 54.58 55.77 1tei n ASN 69 Cb 0.25 -4.78 -0.10 0.00 -1.02 0.00 0.00 39.78 34.13 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 -2.84 1.92 0.53 5.41 0.00 -0.63 -5.12 121.76 121.03 1tei s ALA 70 Ca 0.00 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.13 1tei s ALA 70 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 1tei s ALA 70 CO 0.00 0.04 1.13 -0.51 0.00 0.00 0.00 175.76 176.42 1tei s ASP 71 N -3.29 5.82 0.15 0.00 1.01 -1.26 -4.56 116.67 114.54 1tei s ASP 71 Ca 0.21 2.19 0.03 0.00 0.71 0.00 0.00 52.55 55.69 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 0.06 -1.15 0.26 -0.94 0.21 0.00 0.00 175.17 173.61 1tei s SER 72 N -1.71 6.20 -0.14 0.27 1.04 -1.26 -4.60 113.70 113.50 1tei s SER 72 Ca 0.71 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 57.19 1tei s SER 72 Cb -0.24 -1.83 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 1tei s SER 72 CO 0.28 0.05 0.12 0.00 0.98 0.00 0.00 173.24 174.67 1tei s ALA 73 N -1.75 3.76 -0.01 5.32 0.00 -0.15 -4.94 121.76 123.98 1tei s ALA 73 Ca 0.34 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1tei s ALA 73 Cb -0.11 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1tei s ALA 73 CO 0.28 0.50 -0.13 0.99 0.00 0.00 0.00 175.76 177.40 1tei s THR 74 N -0.66 1.05 -0.05 0.00 2.01 -1.26 -1.41 115.64 115.31 1tei s THR 74 Ca 0.13 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1tei s THR 74 Cb -0.12 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.53 1tei s THR 74 CO 0.02 0.30 0.14 0.54 -0.69 0.00 0.00 174.62 174.93 1tei s VAL 75 N -0.31 0.00 0.03 3.82 0.11 -0.88 -4.74 120.40 118.43 1tei s VAL 75 Ca 0.05 -0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 1tei s VAL 75 Cb -0.05 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1tei s VAL 75 CO -0.01 -0.02 0.06 -0.55 -3.33 0.00 0.00 175.10 171.26 1tei s SER 76 N 0.01 0.19 -0.23 3.54 0.15 -1.26 -1.40 113.70 114.69 1tei s SER 76 Ca -0.01 -0.50 -0.16 0.00 0.70 0.00 0.00 55.95 55.98 1tei s SER 76 Cb -0.01 0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.55 1tei s SER 76 CO 0.00 -0.43 0.58 -0.47 1.20 0.00 0.00 173.24 174.13 1tei s TYR 77 N -2.15 -0.78 -0.28 3.44 5.04 -0.46 -4.95 117.35 117.20 1tei s TYR 77 Ca -0.09 1.71 -0.29 0.00 -2.44 0.00 0.00 57.07 55.96 1tei s TYR 77 Cb -0.04 0.38 0.01 0.00 0.35 0.00 0.00 41.96 42.66 1tei s TYR 77 CO -0.03 -0.39 1.08 -0.51 -1.34 0.00 0.00 175.55 174.36 1tei s ASP 78 N 1.03 6.98 -0.17 4.32 1.01 -1.26 -1.41 116.67 127.17 1tei s ASP 78 Ca -0.06 1.21 -0.09 0.00 0.71 0.00 0.00 52.55 54.33 1tei s ASP 78 Cb -0.05 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.40 1tei s ASP 78 CO -0.10 -0.81 0.40 0.54 0.21 0.00 0.00 175.17 175.42 1tei s VAL 79 N 3.52 -0.14 -0.60 -1.27 0.11 -0.39 -4.99 120.40 116.65 1tei s VAL 79 Ca 0.46 0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.41 1tei s VAL 79 Cb -0.14 -0.61 0.07 0.00 -1.53 0.00 0.00 36.38 34.18 1tei s VAL 79 CO 0.12 0.05 0.83 -0.62 -3.33 0.00 0.00 175.10 172.15 1tei s ASP 80 N 1.62 6.21 0.43 3.54 -1.08 -1.26 -4.35 116.67 121.78 1tei s ASP 80 Ca -0.08 -1.00 0.30 0.00 -0.52 0.00 0.00 52.55 51.24 1tei s ASP 80 Cb -0.09 -2.37 1.54 0.00 -1.46 0.00 0.00 42.92 40.55 1tei s ASP 80 CO -0.13 -1.23 1.90 -0.07 0.52 0.00 0.00 175.17 176.17 1tei h LEU 81 N 10.65 0.00 -1.34 -1.34 3.38 -1.98 -2.52 115.31 122.16 1tei h LEU 81 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1tei h LEU 81 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1tei h LEU 81 CO 1.11 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 180.08 1tei h ASP 82 N 0.00 0.41 -0.09 -0.43 3.32 -1.90 -1.55 116.42 116.17 1tei h ASP 82 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1tei h ASP 82 Cb 0.07 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1tei h ASP 82 CO 0.00 0.47 0.00 0.59 -1.72 0.00 0.00 179.24 178.58 1tei n ASN 83 N -4.31 2.19 -0.05 6.45 3.02 -0.95 -4.47 115.26 117.15 1tei n ASN 83 Ca 0.01 -1.74 -0.09 0.00 -0.03 0.00 0.00 54.58 52.73 1tei n ASN 83 Cb 0.22 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.69 0.50 -4.02 2.41 0.31 -0.91 -5.07 118.33 112.24 1tei n VAL 84 Ca 0.17 -0.15 -0.27 0.00 -0.01 0.00 0.00 64.34 64.08 1tei n VAL 84 Cb 0.45 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 32.00 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 -6.15 4.01 0.94 7.52 1.43 -0.63 -4.96 118.68 120.84 1tei s LEU 85 Ca -0.12 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1tei s LEU 85 Cb 0.04 -2.62 0.15 0.00 0.03 0.00 0.00 46.19 43.80 1tei s LEU 85 CO 0.18 0.08 1.12 -2.16 0.23 0.00 0.00 176.35 175.80 1tei s PRO 86 N -3.01 0.91 0.28 1.29 0.04 -1.26 -4.75 135.00 128.50 1tei s PRO 86 Ca 0.32 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 1tei s PRO 86 Cb -0.11 -1.80 0.41 0.00 0.04 0.00 0.00 34.50 33.04 1tei s PRO 86 CO 0.25 -2.37 1.93 1.49 0.04 0.00 0.00 177.00 178.34 1tei h GLU 87 N -1.63 1.14 -5.53 4.56 4.81 -1.94 -3.41 114.58 112.58 1tei h GLU 87 Ca -0.52 -0.07 -0.66 0.00 -0.13 0.00 0.00 59.36 57.98 1tei h GLU 87 Cb 1.33 -0.26 -0.24 0.00 0.63 0.00 0.00 28.75 30.21 1tei h GLU 87 CO 0.60 0.75 -0.74 -1.58 -0.73 0.00 0.00 179.01 177.32 1tei s TRP 88 N -5.99 2.86 0.22 0.92 0.52 -1.26 -1.90 118.94 114.31 1tei s TRP 88 Ca -0.12 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 55.61 1tei s TRP 88 Cb 0.19 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1tei s TRP 88 CO 0.81 -0.06 0.19 1.33 0.02 0.00 0.00 176.95 179.23 1tei n VAL 89 N 3.23 0.00 -4.35 4.03 0.24 -0.18 -4.33 118.33 116.97 1tei n VAL 89 Ca -0.18 -1.59 -0.20 0.00 -2.04 0.00 0.00 64.34 60.33 1tei n VAL 89 Cb 0.53 0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.88 0.91 0.10 7.34 0.52 -0.03 0.45 118.95 125.36 1tei s ARG 90 Ca 0.26 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 1tei s ARG 90 Cb 0.01 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.54 1tei s ARG 90 CO 0.18 0.22 -0.14 0.14 0.02 0.00 0.00 175.30 175.73 1tei s VAL 91 N -0.81 3.12 0.12 3.52 -7.23 -1.26 -1.21 120.40 116.65 1tei s VAL 91 Ca 0.01 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1tei s VAL 91 Cb -0.08 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1tei s VAL 91 CO 0.01 0.13 0.52 0.61 -0.31 0.00 0.00 175.10 176.06 1tei n GLY 92 N 0.82 1.04 3.20 2.32 0.00 0.18 -1.61 105.19 111.14 1tei n GLY 92 Ca -0.15 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 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 0.15 0.99 1.43 -0.31 -0.68 118.68 122.25 1tei s LEU 93 Ca 0.11 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1tei s LEU 93 Cb -0.02 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1tei s LEU 93 CO 0.04 0.21 -0.13 -0.55 0.23 0.00 0.00 176.35 176.15 1tei s SER 94 N -0.21 2.08 0.05 2.29 0.15 0.99 -1.38 113.70 117.67 1tei s SER 94 Ca 0.01 -0.91 -0.27 0.00 0.70 0.00 0.00 55.95 55.48 1tei s SER 94 Cb -0.11 -0.07 0.08 0.00 -1.71 0.00 0.00 66.02 64.21 1tei s SER 94 CO 0.01 -0.20 0.69 0.00 1.20 0.00 0.00 173.24 174.94 1tei s ALA 95 N -2.66 -1.71 0.19 5.45 0.00 -0.76 -0.22 121.76 122.06 1tei s ALA 95 Ca 0.14 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 1tei s ALA 95 Cb -0.02 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1tei s ALA 95 CO 0.03 -0.60 0.55 -1.54 0.00 0.00 0.00 175.76 174.20 1tei s SER 96 N -2.12 -0.34 0.10 0.00 1.04 -1.08 -2.10 113.70 109.20 1tei s SER 96 Ca -0.02 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 1tei s SER 96 Cb -0.01 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1tei s SER 96 CO -0.04 -1.05 -0.01 0.42 0.98 0.00 0.00 173.24 173.55 1tei s THR 97 N -3.84 0.33 0.00 2.02 -4.23 -0.09 -0.41 115.64 109.42 1tei s THR 97 Ca 0.07 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1tei s THR 97 Cb -0.01 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1tei s THR 97 CO -0.05 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 1tei n GLY 98 N -0.03 4.02 0.13 3.99 0.00 -1.26 -0.34 105.19 111.69 1tei n GLY 98 Ca -0.10 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 0.33-10.11 0.99 5.85 -1.97 -0.58 115.31 109.81 1tei h LEU 99 Ca 0.00 -0.32 -0.52 0.00 0.84 0.00 0.00 57.88 57.89 1tei h LEU 99 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1tei h LEU 99 CO 0.00 0.57 -0.18 -0.31 -0.34 0.00 0.00 178.44 178.18 1tei s TYR 100 N -4.94 3.48 0.41 1.25 2.02 -1.26 -4.83 117.35 113.47 1tei s TYR 100 Ca -0.14 0.55 0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1tei s TYR 100 Cb 0.06 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1tei s TYR 100 CO 0.73 0.20 0.14 0.36 -1.57 0.00 0.00 175.55 175.41 1tei n LYS 101 N -1.00 0.58 -3.64 -0.62 0.00 -1.25 -4.49 118.16 107.74 1tei n LYS 101 Ca -0.03 -3.43 -0.02 0.00 -0.00 0.00 0.00 58.31 54.83 1tei n LYS 101 Cb 0.54 1.85 -0.02 0.00 -0.00 0.00 0.00 35.03 37.40 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 -3.55 0.06 0.22 -1.58 -1.05 -1.16 -3.25 118.70 108.40 1tei s GLU 102 Ca 0.20 -0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.83 1tei s GLU 102 Cb 0.01 0.03 -0.08 0.00 -0.44 0.00 0.00 34.13 33.65 1tei s GLU 102 CO 0.14 -0.03 0.68 0.95 0.95 0.00 0.00 175.26 177.96 1tei s THR 103 N -1.94 4.66 -0.55 1.83 -4.23 0.09 -4.74 115.64 110.75 1tei s THR 103 Ca 0.11 1.12 0.07 0.00 -1.18 0.00 0.00 61.69 61.80 1tei s THR 103 Cb -0.01 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.33 1tei s THR 103 CO -0.03 0.15 0.78 0.59 -0.54 0.00 0.00 174.62 175.57 1tei n ASN 104 N 0.57 3.15 -4.70 3.99 4.13 -1.26 -3.60 115.26 117.54 1tei n ASN 104 Ca -0.02 -3.37 -0.41 0.00 1.68 0.00 0.00 54.58 52.46 1tei n ASN 104 Cb 0.52 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 38.09 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 -2.97 4.93 -0.25 3.41 2.01 -1.15 -1.99 115.64 119.64 1tei s THR 105 Ca 0.42 1.68 -0.06 0.00 0.31 0.00 0.00 61.69 64.04 1tei s THR 105 Cb 0.22 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1tei s THR 105 CO -0.08 0.13 0.04 -0.63 -0.69 0.00 0.00 174.62 173.40 1tei s ILE 106 N 1.42 3.99 -0.17 1.82 -1.09 -0.13 -0.55 121.20 126.48 1tei s ILE 106 Ca 0.41 -0.33 0.22 0.00 -2.23 0.00 0.00 60.65 58.72 1tei s ILE 106 Cb -0.18 -2.88 -0.11 0.00 -1.58 0.00 0.00 42.46 37.71 1tei s ILE 106 CO 0.18 0.33 0.85 0.18 -1.23 0.00 0.00 174.94 175.25 1tei n LEU 107 N 4.88 0.59 -3.52 2.97 4.32 0.18 -1.57 117.00 124.85 1tei n LEU 107 Ca -0.17 0.23 -0.13 0.00 -0.02 0.00 0.00 56.01 55.92 1tei n LEU 107 Cb 0.51 -0.03 -0.05 0.00 -1.62 0.00 0.00 43.42 42.24 1tei n LEU 107 CO 0.30 -0.10 0.58 -0.94 -1.22 0.00 0.00 177.39 176.01 1tei s SER 108 N -5.14 -0.51 -0.23 -1.43 1.04 -1.23 -4.41 113.70 101.78 1tei s SER 108 Ca -0.03 0.43 -0.15 0.00 0.48 0.00 0.00 55.95 56.68 1tei s SER 108 Cb 0.11 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.74 1tei s SER 108 CO 0.83 -0.57 0.57 0.86 0.98 0.00 0.00 173.24 175.91 1tei s TRP 109 N -1.75 -0.81 0.02 5.02 -0.00 0.02 -1.81 118.94 119.62 1tei s TRP 109 Ca -0.04 1.72 0.00 0.00 -0.00 0.00 0.00 56.10 57.78 1tei s TRP 109 Cb -0.00 0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 33.87 1tei s TRP 109 CO 0.02 -0.42 -0.03 -1.54 -0.00 0.00 0.00 176.95 174.98 1tei s SER 110 N 1.27 0.26 -0.02 5.86 1.04 0.25 -0.42 113.70 121.93 1tei s SER 110 Ca -0.08 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 1tei s SER 110 Cb -0.06 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1tei s SER 110 CO -0.13 -0.22 0.05 0.12 0.98 0.00 0.00 173.24 174.04 1tei s PHE 111 N -1.12 -0.04 -0.05 5.02 5.36 -0.56 -1.21 117.98 125.38 1tei s PHE 111 Ca -0.12 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1tei s PHE 111 Cb -0.08 -0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1tei s PHE 111 CO -0.01 -0.05 -0.04 0.99 -1.46 0.00 0.00 175.22 174.65 1tei s THR 112 N 0.39 0.53 -0.05 0.12 2.01 -0.04 -1.60 115.64 116.99 1tei s THR 112 Ca -0.03 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.89 1tei s THR 112 Cb -0.04 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1tei s THR 112 CO -0.01 0.23 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.49 1tei s SER 113 N 0.99 1.59 -0.02 3.53 0.15 -0.04 -0.48 113.70 119.42 1tei s SER 113 Ca -0.10 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.31 1tei s SER 113 Cb -0.14 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1tei s SER 113 CO -0.00 0.04 -0.08 -0.54 1.20 0.00 0.00 173.24 173.86 1tei s LYS 114 N 0.57 0.80 -0.11 5.44 1.02 0.38 -1.32 119.74 126.52 1tei s LYS 114 Ca -0.12 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1tei s LYS 114 Cb -0.14 -0.77 0.02 0.00 -0.52 0.00 0.00 37.83 36.42 1tei s LYS 114 CO 0.03 0.10 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.92 1tei s LEU 115 N 0.16 1.58 -0.27 3.17 1.43 -0.00 -0.82 118.68 123.93 1tei s LEU 115 Ca -0.02 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1tei s LEU 115 Cb -0.07 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.19 1tei s LEU 115 CO 0.00 -0.02 -0.04 -0.75 0.23 0.00 0.00 176.35 175.77 1tei s LYS 116 N 1.17 2.62 0.80 1.70 2.20 0.85 -0.20 119.74 128.88 1tei s LYS 116 Ca -0.04 -1.13 -0.06 0.00 -0.36 0.00 0.00 55.97 54.38 1tei s LYS 116 Cb -0.14 -3.07 0.15 0.00 -1.51 0.00 0.00 37.83 33.25 1tei s LYS 116 CO -0.04 -0.51 1.10 -1.12 -0.36 0.00 0.00 175.35 174.43 1tei s SER 117 N 1.28 3.98 -1.03 1.43 0.01 -1.04 0.84 113.70 119.17 1tei s SER 117 Ca -0.03 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 1tei s SER 117 Cb -0.18 -0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.76 1tei s SER 117 CO -0.03 -2.12 1.97 0.59 0.41 0.00 0.00 173.24 174.06 1tei n ASN 118 N -3.14 3.10 -3.55 2.44 4.13 -1.18 -4.60 115.26 112.45 1tei n ASN 118 Ca 0.14 -2.74 -0.08 0.00 1.68 0.00 0.00 54.58 53.59 1tei n ASN 118 Cb 0.60 -1.39 -0.02 0.00 -1.54 0.00 0.00 39.78 37.43 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 4.86 -0.34 -0.00 6.41 0.01 -1.26 -5.10 113.70 118.27 1tei s SER 119 Ca 0.57 -0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.43 1tei s SER 119 Cb 0.11 0.43 -0.06 0.00 0.21 0.00 0.00 66.02 66.71 1tei s SER 119 CO 0.08 -0.72 1.47 0.42 0.41 0.00 0.00 173.24 174.89 1tei s THR 120 N -3.23 3.61 0.00 1.44 -4.23 -1.26 -3.40 115.64 108.57 1tei s THR 120 Ca 0.06 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1tei s THR 120 Cb -0.01 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1tei s THR 120 CO -0.07 -0.02 0.00 1.57 -0.54 0.00 0.00 174.62 175.57 1tei n HIS 121 N 5.69 0.00 -2.38 3.99 -0.00 -1.26 -4.80 115.22 116.47 1tei n HIS 121 Ca 0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.50 1tei n HIS 121 Cb 0.43 -1.09 -0.04 0.00 -0.00 0.00 0.00 29.99 29.29 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 -0.77 3.20 -0.10 1.57 2.02 -1.22 -4.90 118.70 118.51 1tei s GLU 122 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1tei s GLU 122 Cb 0.00 -5.17 0.00 0.00 0.10 0.00 0.00 34.13 29.06 1tei s GLU 122 CO 0.00 -2.61 -0.21 0.99 0.02 0.00 0.00 175.26 173.45 1tei s THR 123 N 6.82 1.86 -0.11 3.63 2.01 -1.26 -2.51 115.64 126.08 1tei s THR 123 Ca 0.54 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1tei s THR 123 Cb -0.03 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1tei s THR 123 CO -0.05 0.52 0.06 0.20 -0.69 0.00 0.00 174.62 174.66 1tei s ASN 124 N 0.45 5.74 0.04 3.53 -0.87 0.71 -4.95 114.94 119.59 1tei s ASN 124 Ca -0.17 0.27 -0.09 0.00 -1.57 0.00 0.00 52.86 51.30 1tei s ASN 124 Cb -0.17 -1.77 0.00 0.00 -0.02 0.00 0.00 41.25 39.29 1tei s ASN 124 CO 0.07 0.37 0.18 0.00 -2.57 0.00 0.00 177.10 175.14 1tei s ALA 125 N -0.79 -0.32 -0.02 0.60 0.00 -1.26 -0.82 121.76 119.14 1tei s ALA 125 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1tei s ALA 125 Cb -0.12 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1tei s ALA 125 CO 0.03 -0.34 -0.01 -1.17 0.00 0.00 0.00 175.76 174.27 1tei s LEU 126 N -2.02 1.46 -0.15 0.00 2.96 -0.44 -5.01 118.68 115.49 1tei s LEU 126 Ca -0.06 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1tei s LEU 126 Cb -0.02 -0.18 0.05 0.00 0.50 0.00 0.00 46.19 46.54 1tei s LEU 126 CO -0.03 -0.05 0.36 -2.28 -1.32 0.00 0.00 176.35 173.03 1tei s HIS 127 N 0.63 -0.48 0.01 5.38 5.65 -1.26 -0.86 115.29 124.36 1tei s HIS 127 Ca -0.06 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.34 1tei s HIS 127 Cb -0.09 0.18 -0.01 0.00 -1.18 0.00 0.00 32.58 31.48 1tei s HIS 127 CO -0.01 -0.27 -0.02 -0.59 -0.65 0.00 0.00 174.74 173.20 1tei s PHE 128 N 0.95 0.14 -0.05 3.88 -0.12 -0.63 -5.01 117.98 117.14 1tei s PHE 128 Ca -0.06 -0.27 -0.02 0.00 -0.05 0.00 0.00 56.93 56.52 1tei s PHE 128 Cb -0.07 -0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1tei s PHE 128 CO -0.07 -0.10 0.09 1.41 -0.05 0.00 0.00 175.22 176.50 1tei s MET 129 N -0.76 -0.03 -0.20 1.99 1.75 -1.26 -1.50 119.30 119.29 1tei s MET 129 Ca -0.08 0.40 -0.01 0.00 -1.25 0.00 0.00 55.69 54.75 1tei s MET 129 Cb -0.05 -0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.25 1tei s MET 129 CO -0.01 -0.29 -0.12 -0.06 -0.65 0.00 0.00 175.02 173.89 1tei s PHE 130 N 1.97 2.88 -0.71 4.11 0.08 0.44 -4.93 117.98 121.81 1tei s PHE 130 Ca 0.01 -1.35 0.06 0.00 0.12 0.00 0.00 56.93 55.78 1tei s PHE 130 Cb -0.12 -2.01 0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1tei s PHE 130 CO -0.04 -0.69 0.64 0.09 -0.10 0.00 0.00 175.22 175.12 1tei n ASN 131 N 4.70 1.37 -3.63 1.36 3.02 -1.26 -0.80 115.26 120.01 1tei n ASN 131 Ca -0.19 -1.19 -0.11 0.00 -0.03 0.00 0.00 54.58 53.06 1tei n ASN 131 Cb 0.50 0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.63 0.75 -0.05 3.52 0.74 -1.26 -4.78 119.66 117.95 1tei s GLN 132 Ca 0.07 1.05 0.03 0.00 0.05 0.00 0.00 55.36 56.55 1tei s GLN 132 Cb 0.05 0.29 -0.03 0.00 1.10 0.00 0.00 33.01 34.42 1tei s GLN 132 CO 0.09 -0.12 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.55 1tei s PHE 133 N 0.87 2.80 0.44 1.67 0.08 -0.13 -5.03 117.98 118.68 1tei s PHE 133 Ca -0.04 -0.09 0.08 0.00 0.12 0.00 0.00 56.93 57.01 1tei s PHE 133 Cb -0.05 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1tei s PHE 133 CO -0.08 0.26 0.56 -1.54 -0.10 0.00 0.00 175.22 174.32 1tei s SER 134 N -0.84 5.49 0.30 1.36 1.04 -1.26 -4.03 113.70 115.76 1tei s SER 134 Ca 0.12 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 1tei s SER 134 Cb -0.11 -0.53 0.45 0.00 0.10 0.00 0.00 66.02 65.94 1tei s SER 134 CO 0.01 -0.81 1.92 0.50 0.98 0.00 0.00 173.24 175.85 1tei h LYS 135 N 0.65 0.97 -3.20 4.02 3.64 -1.87 -3.25 116.57 117.52 1tei h LYS 135 Ca -0.39 -0.10 -0.65 0.00 -1.27 0.00 0.00 60.65 58.24 1tei h LYS 135 Cb 1.28 -0.19 -0.40 0.00 -0.41 0.00 0.00 32.23 32.50 1tei h LYS 135 CO 0.47 0.71 -0.46 0.34 -2.27 0.00 0.00 179.45 178.24 1tei s ASP 136 N -6.42 5.05 -1.22 4.20 2.15 -1.26 -4.75 116.67 114.42 1tei s ASP 136 Ca -0.11 -3.67 -0.12 0.00 0.43 0.00 0.00 52.55 49.08 1tei s ASP 136 Cb 0.17 -1.71 0.18 0.00 -0.30 0.00 0.00 42.92 41.26 1tei s ASP 136 CO 0.79 -0.14 1.53 1.67 -0.17 0.00 0.00 175.17 178.86 1tei n GLN 137 N 2.27 3.47 0.33 4.34 -0.06 -1.24 -4.88 117.38 121.62 1tei n GLN 137 Ca 0.18 -3.82 0.15 0.00 -2.00 0.00 0.00 57.00 51.50 1tei n GLN 137 Cb 0.35 -2.97 0.80 0.00 -4.06 0.00 0.00 30.24 24.36 1tei n GLN 137 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1tei h LYS 138 N 6.70 0.00 -0.31 3.69 1.57 -1.94 -0.83 116.57 125.45 1tei h LYS 138 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1tei h LYS 138 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1tei h LYS 138 CO 1.33 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.81 1tei n ASP 139 N -2.92 2.38 -4.36 0.86 5.68 -1.26 -4.85 116.55 112.09 1tei n ASP 139 Ca -0.02 -1.86 -0.31 0.00 -0.50 0.00 0.00 54.79 52.10 1tei n ASP 139 Cb 0.40 -0.20 -0.15 0.00 -1.14 0.00 0.00 41.12 40.03 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 -1.40 2.24 -0.41 -2.12 1.43 -0.32 -0.00 118.68 118.10 1tei s LEU 140 Ca 0.34 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 1tei s LEU 140 Cb 0.19 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 45.07 1tei s LEU 140 CO 0.26 0.31 0.27 -0.63 0.23 0.00 0.00 176.35 176.79 1tei s ILE 141 N -0.70 4.70 -0.08 -0.59 1.01 0.37 -4.85 121.20 121.06 1tei s ILE 141 Ca 0.11 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 1tei s ILE 141 Cb -0.10 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1tei s ILE 141 CO 0.00 -0.39 0.54 -0.76 0.00 0.00 0.00 174.94 174.34 1tei s LEU 142 N 1.55 4.32 0.14 2.97 1.43 -1.26 -1.34 118.68 126.49 1tei s LEU 142 Ca 0.03 0.96 0.10 0.00 -1.03 0.00 0.00 54.13 54.19 1tei s LEU 142 Cb -0.21 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1tei s LEU 142 CO 0.06 0.00 -0.23 -1.10 0.23 0.00 0.00 176.35 175.31 1tei s GLN 143 N 0.46 1.33 6.32 1.70 -0.21 -0.29 -4.99 119.66 123.99 1tei s GLN 143 Ca 0.29 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.33 1tei s GLN 143 Cb -0.16 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1tei s GLN 143 CO 0.13 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 1tei n GLY 144 N 0.74 2.30 0.70 3.09 0.00 -1.26 -1.52 105.19 109.23 1tei n GLY 144 Ca -0.17 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 3.85 2.07 -4.73 1.61 8.00 0.16 -4.94 116.55 122.57 1tei n ASP 145 Ca 0.00 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 1tei n ASP 145 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.59 3.66 0.05 2.24 0.00 -1.01 -4.19 121.76 120.93 1tei s ALA 146 Ca 0.30 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1tei s ALA 146 Cb 0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1tei s ALA 146 CO 0.22 -0.72 0.03 0.95 0.00 0.00 0.00 175.76 176.24 1tei s THR 147 N 0.55 0.18 0.30 0.00 -4.23 -0.14 -4.72 115.64 107.59 1tei s THR 147 Ca 0.63 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1tei s THR 147 Cb -0.41 -1.28 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 1tei s THR 147 CO 0.37 -0.84 0.03 0.42 -0.54 0.00 0.00 174.62 174.06 1tei s THR 148 N -3.49 1.22 0.00 3.99 -4.23 -1.26 -0.28 115.64 111.59 1tei s THR 148 Ca 0.03 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1tei s THR 148 Cb 0.04 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1tei s THR 148 CO -0.09 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1tei n GLY 149 N -0.62 2.62 3.55 3.99 0.00 -1.02 -4.49 105.19 109.22 1tei n GLY 149 Ca -0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.34 3.06 -1.70 2.61 2.01 -1.25 -1.85 115.64 116.18 1tei s THR 150 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1tei s THR 150 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1tei s THR 150 CO 0.00 -0.15 0.00 0.47 -0.69 0.00 0.00 174.62 174.25 1tei n ASP 151 N 16.27 -5.27 -0.42 3.53 8.00 -1.26 -1.68 116.55 135.71 1tei n ASP 151 Ca 0.38 0.15 -0.06 0.00 0.71 0.00 0.00 54.79 55.97 1tei n ASP 151 Cb 0.51 -4.35 -0.02 0.00 -0.02 0.00 0.00 41.12 37.23 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 -0.92 0.80 3.79 0.44 0.00 -0.77 -4.97 105.19 103.56 1tei n GLY 152 Ca -0.21 -0.61 -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 -2.76 4.72 -0.29 1.61 0.01 -0.68 -0.95 114.94 116.60 1tei s ASN 153 Ca 0.00 -0.90 -0.04 0.00 -0.71 0.00 0.00 52.86 51.21 1tei s ASN 153 Cb 0.00 -0.56 0.02 0.00 0.41 0.00 0.00 41.25 41.12 1tei s ASN 153 CO 0.00 -0.55 0.03 -0.22 -1.51 0.00 0.00 177.10 174.85 1tei s LEU 154 N -3.99 3.69 -0.47 0.60 2.96 -0.61 -2.42 118.68 118.43 1tei s LEU 154 Ca 0.43 -0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 53.29 1tei s LEU 154 Cb 0.00 -1.79 0.06 0.00 0.50 0.00 0.00 46.19 44.96 1tei s LEU 154 CO 0.25 -0.19 0.49 -1.61 -1.32 0.00 0.00 176.35 173.96 1tei s GLU 155 N 1.40 3.06 0.11 1.98 0.41 0.61 -0.96 118.70 125.31 1tei s GLU 155 Ca 0.00 -1.04 -0.16 0.00 -0.41 0.00 0.00 54.97 53.36 1tei s GLU 155 Cb -0.18 -4.08 -0.04 0.00 -1.78 0.00 0.00 34.13 28.06 1tei s GLU 155 CO -0.00 -1.06 1.57 -0.07 -0.49 0.00 0.00 175.26 175.21 1tei h LEU 156 N 9.18 0.59 -9.48 1.80 3.38 -1.65 -0.35 115.31 118.78 1tei h LEU 156 Ca -0.28 -0.29 -0.59 0.00 0.09 0.00 0.00 57.88 56.82 1tei h LEU 156 Cb 1.10 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1tei h LEU 156 CO 0.89 0.73 -0.67 0.42 0.09 0.00 0.00 178.44 179.91 1tei s THR 157 N -5.08 3.48 0.20 0.22 -4.23 -1.26 -2.41 115.64 106.56 1tei s THR 157 Ca -0.13 -1.69 -0.32 0.00 -1.18 0.00 0.00 61.69 58.36 1tei s THR 157 Cb 0.09 -2.79 -0.14 0.00 1.34 0.00 0.00 72.50 71.00 1tei s THR 157 CO 0.77 -0.23 1.41 -1.14 -0.54 0.00 0.00 174.62 174.90 1tei n ARG 158 N -0.43 1.88 -4.19 3.99 0.63 -1.26 -4.73 116.66 112.55 1tei n ARG 158 Ca -0.09 0.67 -0.16 0.00 -0.92 0.00 0.00 57.85 57.36 1tei n ARG 158 Cb 0.57 -2.33 -0.14 0.00 0.45 0.00 0.00 32.46 31.00 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 0.20 0.51 0.62 5.15 1.01 -1.26 -1.78 120.40 124.85 1tei s VAL 159 Ca 0.73 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 1tei s VAL 159 Cb -0.71 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1tei s VAL 159 CO 0.47 0.06 1.00 -0.94 0.00 0.00 0.00 175.10 175.69 1tei s SER 160 N -0.37 5.92 0.43 3.32 1.04 0.45 -4.92 113.70 119.56 1tei s SER 160 Ca 0.01 1.16 0.18 0.00 0.48 0.00 0.00 55.95 57.78 1tei s SER 160 Cb -0.04 -2.17 1.09 0.00 0.10 0.00 0.00 66.02 65.00 1tei s SER 160 CO -0.00 -0.99 1.88 0.77 0.98 0.00 0.00 173.24 175.88 1tei h SER 161 N -0.32 0.38 0.37 7.02 4.64 -2.01 0.90 113.55 124.52 1tei h SER 161 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1tei h SER 161 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1tei h SER 161 CO 0.62 0.17 0.00 -0.46 -0.87 0.00 0.00 176.83 176.29 1tei n ASN 162 N -4.49 0.00 0.00 4.97 0.23 -1.26 -4.88 115.26 109.83 1tei n ASN 162 Ca 0.17 -0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 1tei n ASN 162 Cb 0.64 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 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 0.76 0.85 3.87 4.83 0.00 0.31 -5.09 105.19 110.72 1tei n GLY 163 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.07 6.61 0.51 1.61 1.04 -1.24 -4.76 113.70 115.40 1tei s SER 164 Ca 0.00 0.74 -0.20 0.00 0.48 0.00 0.00 55.95 56.97 1tei s SER 164 Cb 0.00 -2.16 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 1tei s SER 164 CO 0.00 0.17 1.07 -2.16 0.98 0.00 0.00 173.24 173.31 1tei s PRO 165 N -1.95 3.62 0.15 4.02 0.04 -1.26 -0.42 135.00 139.20 1tei s PRO 165 Ca 0.33 1.45 0.06 0.00 0.04 0.00 0.00 61.00 62.88 1tei s PRO 165 Cb -0.14 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1tei s PRO 165 CO 0.18 -0.60 0.06 -0.65 0.04 0.00 0.00 177.00 176.03 1tei s GLN 166 N -3.27 2.66 0.75 4.56 -1.52 -0.73 -4.86 119.66 117.25 1tei s GLN 166 Ca 0.69 -0.93 -0.05 0.00 -1.95 0.00 0.00 55.36 53.12 1tei s GLN 166 Cb -0.19 -2.53 0.12 0.00 -0.22 0.00 0.00 33.01 30.19 1tei s GLN 166 CO 0.23 0.49 1.04 0.20 -0.25 0.00 0.00 175.29 177.00 1tei s GLY 167 N -2.84 1.76 -1.45 3.09 0.00 -1.26 -4.46 107.32 102.16 1tei s GLY 167 Ca 0.29 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1tei s GLY 167 CO 0.21 -0.88 0.26 1.44 0.00 0.00 0.00 173.10 174.13 1tei n SER 168 N -2.99 -0.15 -4.27 1.64 7.64 -0.23 -4.85 113.62 110.41 1tei n SER 168 Ca 0.13 -1.14 -0.25 0.00 1.01 0.00 0.00 58.87 58.61 1tei n SER 168 Cb 0.60 -2.34 -0.14 0.00 -1.01 0.00 0.00 64.21 61.32 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 -4.30 2.53 -0.01 6.43 0.15 -1.19 -4.95 113.70 112.35 1tei s SER 169 Ca 0.05 -0.58 -0.03 0.00 0.70 0.00 0.00 55.95 56.08 1tei s SER 169 Cb -0.02 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1tei s SER 169 CO 0.94 0.13 0.07 0.68 1.20 0.00 0.00 173.24 176.26 1tei s VAL 170 N -0.92 0.04 -0.11 4.45 -7.23 -1.26 -0.91 120.40 114.45 1tei s VAL 170 Ca 0.07 -0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 1tei s VAL 170 Cb -0.09 -0.22 0.09 0.00 0.56 0.00 0.00 36.38 36.72 1tei s VAL 170 CO 0.03 -0.19 0.78 -0.83 -0.31 0.00 0.00 175.10 174.58 1tei s GLY 171 N -0.57 -0.48 0.12 2.32 0.00 -0.89 0.39 107.32 108.21 1tei s GLY 171 Ca -0.06 1.63 -0.03 0.00 0.00 0.00 0.00 44.72 46.25 1tei s GLY 171 CO 0.00 1.10 0.10 0.50 0.00 0.00 0.00 173.10 174.81 1tei s ARG 172 N -0.93 0.93 -0.12 2.90 0.52 -0.58 -1.83 118.95 119.83 1tei s ARG 172 Ca -0.07 -1.32 -0.04 0.00 -0.52 0.00 0.00 55.73 53.78 1tei s ARG 172 Cb -0.01 0.27 0.06 0.00 0.52 0.00 0.00 34.95 35.80 1tei s ARG 172 CO 0.06 -0.27 0.23 0.00 0.02 0.00 0.00 175.30 175.33 1tei s ALA 173 N -4.00 -0.40 0.04 2.13 0.00 -0.48 -1.14 121.76 117.92 1tei s ALA 173 Ca 0.19 0.73 0.07 0.00 0.00 0.00 0.00 51.96 52.95 1tei s ALA 173 Cb 0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1tei s ALA 173 CO -0.01 -0.69 -0.17 -0.51 0.00 0.00 0.00 175.76 174.38 1tei s LEU 174 N 2.37 2.65 0.22 0.00 1.02 -0.45 -1.17 118.68 123.32 1tei s LEU 174 Ca 0.03 -0.42 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 1tei s LEU 174 Cb -0.12 -1.54 -0.09 0.00 0.02 0.00 0.00 46.19 44.45 1tei s LEU 174 CO -0.08 0.25 1.31 0.12 0.02 0.00 0.00 176.35 177.97 1tei s PHE 175 N -0.95 3.23 0.18 0.29 5.36 -0.63 -0.48 117.98 124.97 1tei s PHE 175 Ca 0.15 1.25 -0.18 0.00 -0.96 0.00 0.00 56.93 57.18 1tei s PHE 175 Cb -0.11 -3.62 0.12 0.00 -0.34 0.00 0.00 43.02 39.08 1tei s PHE 175 CO 0.06 -1.89 1.63 -0.92 -1.46 0.00 0.00 175.22 172.64 1tei h TYR 176 N 5.06 -0.46 -3.71 10.12 3.20 -0.75 -3.43 116.97 126.99 1tei h TYR 176 Ca -0.45 0.05 -0.50 0.00 3.14 0.00 0.00 58.73 60.96 1tei h TYR 176 Cb 1.22 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 1tei h TYR 176 CO 0.61 -0.27 0.42 0.00 -1.64 0.00 0.00 178.16 177.27 1tei s ALA 177 N -6.16 3.36 0.64 1.82 0.00 -1.26 -5.02 121.76 115.14 1tei s ALA 177 Ca -0.14 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1tei s ALA 177 Cb 0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1tei s ALA 177 CO 0.71 -0.02 1.16 -2.14 0.00 0.00 0.00 175.76 175.47 1tei s PRO 178 N -0.98 2.79 -0.05 0.00 0.02 -1.26 -4.81 135.00 130.71 1tei s PRO 178 Ca 0.44 1.63 0.05 0.00 0.02 0.00 0.00 61.00 63.15 1tei s PRO 178 Cb -0.28 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 1tei s PRO 178 CO 0.35 -1.30 -0.22 0.08 -0.33 0.00 0.00 177.00 175.58 1tei s VAL 179 N -1.95 2.38 -0.96 3.83 1.01 0.17 -4.93 120.40 119.95 1tei s VAL 179 Ca 0.73 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1tei s VAL 179 Cb -0.26 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.37 1tei s VAL 179 CO 0.37 0.57 1.15 -2.28 0.00 0.00 0.00 175.10 174.92 1tei s HIS 180 N -0.35 3.18 0.40 5.22 2.46 -1.26 -1.01 115.29 123.92 1tei s HIS 180 Ca 0.02 -1.50 0.13 0.00 0.47 0.00 0.00 55.06 54.19 1tei s HIS 180 Cb -0.12 -4.27 0.82 0.00 -0.13 0.00 0.00 32.58 28.87 1tei s HIS 180 CO 0.02 -1.47 1.88 0.97 -2.47 0.00 0.00 174.74 173.68 1tei h ILE 181 N 5.67 1.21 -3.26 0.89 6.09 -1.69 -3.47 117.51 122.95 1tei h ILE 181 Ca 0.17 -1.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.61 1tei h ILE 181 Cb 1.01 1.57 -0.08 0.00 0.47 0.00 0.00 36.82 39.78 1tei h ILE 181 CO 1.11 0.30 0.08 -1.66 -3.07 0.00 0.00 178.15 174.91 1tei s TRP 182 N -4.34 -0.07 -0.25 2.19 1.48 -1.23 -4.80 118.94 111.92 1tei s TRP 182 Ca -0.03 -0.30 -0.19 0.00 -1.06 0.00 0.00 56.10 54.52 1tei s TRP 182 Cb 0.15 0.46 0.07 0.00 -1.16 0.00 0.00 33.47 32.99 1tei s TRP 182 CO 0.71 -1.03 0.65 -2.00 -4.06 0.00 0.00 176.95 171.22 1tei s GLU 183 N -3.91 0.71 0.56 3.25 2.12 -1.26 -4.80 118.70 115.37 1tei s GLU 183 Ca 0.12 1.05 0.27 0.00 0.36 0.00 0.00 54.97 56.77 1tei s GLU 183 Cb -0.03 0.23 1.47 0.00 0.26 0.00 0.00 34.13 36.06 1tei s GLU 183 CO 0.02 -0.12 1.97 0.66 -0.54 0.00 0.00 175.26 177.25 1tei h SER 184 N 6.15 0.00 -0.50 -1.70 4.64 -2.02 -1.75 113.55 118.37 1tei h SER 184 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1tei h SER 184 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1tei h SER 184 CO 0.14 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.90 1tei n SER 185 N -4.09 4.27 -4.69 4.97 7.64 -1.26 -4.93 113.62 115.52 1tei n SER 185 Ca 0.09 -2.51 -0.38 0.00 1.01 0.00 0.00 58.87 57.08 1tei n SER 185 Cb 0.62 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.03 3.53 0.11 -0.43 0.00 -0.66 -3.09 121.76 119.18 1tei s ALA 186 Ca 0.42 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 1tei s ALA 186 Cb 0.29 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.65 1tei s ALA 186 CO 0.17 -0.23 1.45 0.28 0.00 0.00 0.00 175.76 177.43 1tei h VAL 187 N 4.94 1.29 -3.27 0.00 2.07 0.18 -3.45 116.25 118.02 1tei h VAL 187 Ca -0.37 -1.41 -0.21 0.00 0.82 0.00 0.00 66.70 65.53 1tei h VAL 187 Cb 1.16 1.50 -0.29 0.00 -1.52 0.00 0.00 31.29 32.14 1tei h VAL 187 CO 0.74 0.45 -0.55 -0.69 0.02 0.00 0.00 177.57 177.54 1tei s VAL 188 N -4.45 -0.02 -0.02 2.57 1.01 -1.15 -4.88 120.40 113.46 1tei s VAL 188 Ca -0.12 0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1tei s VAL 188 Cb 0.09 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.23 1tei s VAL 188 CO 0.83 0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.91 1tei s ALA 189 N 0.66 0.60 0.09 5.51 0.00 -1.26 -0.10 121.76 127.26 1tei s ALA 189 Ca -0.05 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1tei s ALA 189 Cb -0.06 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.84 1tei s ALA 189 CO -0.03 0.07 0.52 -1.54 0.00 0.00 0.00 175.76 174.77 1tei s SER 190 N 0.36 -0.43 0.10 0.00 1.04 0.00 -0.26 113.70 114.51 1tei s SER 190 Ca -0.05 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 1tei s SER 190 Cb -0.08 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1tei s SER 190 CO -0.00 -0.81 0.13 0.72 0.98 0.00 0.00 173.24 174.26 1tei s PHE 191 N -3.06 0.38 -0.15 5.02 -0.12 -0.82 -0.47 117.98 118.76 1tei s PHE 191 Ca -0.02 -0.83 -0.10 0.00 -0.05 0.00 0.00 56.93 55.93 1tei s PHE 191 Cb -0.00 -0.20 0.05 0.00 -0.63 0.00 0.00 43.02 42.24 1tei s PHE 191 CO -0.07 -0.53 0.38 -2.00 -0.05 0.00 0.00 175.22 172.96 1tei s GLU 192 N -3.92 0.39 0.07 1.99 2.12 0.37 -2.26 118.70 117.46 1tei s GLU 192 Ca 0.10 0.67 0.05 0.00 0.36 0.00 0.00 54.97 56.15 1tei s GLU 192 Cb 0.06 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 1tei s GLU 192 CO -0.07 -0.12 -0.14 0.00 -0.54 0.00 0.00 175.26 174.39 1tei s ALA 193 N 0.97 1.13 -0.12 6.30 0.00 0.03 -0.86 121.76 129.21 1tei s ALA 193 Ca -0.06 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1tei s ALA 193 Cb -0.07 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1tei s ALA 193 CO -0.08 0.16 0.34 0.99 0.00 0.00 0.00 175.76 177.17 1tei s THR 194 N -1.25 0.00 -0.08 0.00 2.01 -0.35 -0.63 115.64 115.35 1tei s THR 194 Ca -0.02 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.69 1tei s THR 194 Cb -0.10 -0.49 0.06 0.00 0.01 0.00 0.00 72.50 71.98 1tei s THR 194 CO 0.02 -0.02 0.58 0.72 -0.69 0.00 0.00 174.62 175.23 1tei s PHE 195 N 0.08 -0.55 -0.08 4.92 -0.71 -0.83 -0.58 117.98 120.24 1tei s PHE 195 Ca -0.01 1.02 0.02 0.00 -1.04 0.00 0.00 56.93 56.92 1tei s PHE 195 Cb -0.03 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 42.06 1tei s PHE 195 CO 0.01 -0.50 -0.13 0.95 -1.34 0.00 0.00 175.22 174.21 1tei s THR 196 N -0.93 3.12 0.31 -4.49 -4.23 -0.75 -0.99 115.64 107.68 1tei s THR 196 Ca -0.10 -0.68 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1tei s THR 196 Cb -0.02 -2.26 -0.06 0.00 1.34 0.00 0.00 72.50 71.49 1tei s THR 196 CO 0.07 0.56 0.02 0.72 -0.54 0.00 0.00 174.62 175.46 1tei s PHE 197 N -0.31 1.98 -0.25 3.99 -0.71 -0.74 -0.64 117.98 121.30 1tei s PHE 197 Ca 0.03 -0.87 -0.04 0.00 -1.04 0.00 0.00 56.93 55.00 1tei s PHE 197 Cb -0.13 -1.26 0.09 0.00 -1.21 0.00 0.00 43.02 40.51 1tei s PHE 197 CO 0.03 0.10 0.13 -1.17 -1.34 0.00 0.00 175.22 172.97 1tei s LEU 198 N -3.48 0.42 -0.38 -1.99 2.96 0.29 -1.24 118.68 115.26 1tei s LEU 198 Ca 0.34 -1.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 1tei s LEU 198 Cb 0.08 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.52 1tei s LEU 198 CO 0.14 -0.41 0.26 -0.63 -1.32 0.00 0.00 176.35 174.40 1tei s ILE 199 N 2.13 5.12 -0.06 6.68 1.01 -1.26 -2.91 121.20 131.91 1tei s ILE 199 Ca 0.07 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.22 1tei s ILE 199 Cb -0.16 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 1tei s ILE 199 CO -0.28 -0.19 -0.22 -0.75 0.00 0.00 0.00 174.94 173.51 1tei s LYS 200 N 1.67 2.38 -0.02 2.79 2.20 -1.24 -1.15 119.74 126.37 1tei s LYS 200 Ca 0.05 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1tei s LYS 200 Cb -0.18 -1.96 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1tei s LYS 200 CO 0.09 0.27 0.02 0.45 -0.36 0.00 0.00 175.35 175.82 1tei s SER 201 N 0.07 0.16 0.14 1.43 0.15 -1.26 -0.74 113.70 113.66 1tei s SER 201 Ca -0.08 0.02 0.11 0.00 0.70 0.00 0.00 55.95 56.70 1tei s SER 201 Cb -0.14 -0.11 -0.12 0.00 -1.71 0.00 0.00 66.02 63.94 1tei s SER 201 CO 0.04 -0.11 1.22 -0.65 1.20 0.00 0.00 173.24 174.95 1tei h PRO 202 N 7.18 0.00 -7.08 5.44 0.11 -1.99 -3.47 132.00 132.20 1tei h PRO 202 Ca -0.43 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.20 1tei h PRO 202 Cb 1.13 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.29 1tei h PRO 202 CO 0.48 0.73 0.15 0.16 -0.21 0.00 0.00 178.00 179.32 1tei s ASP 203 N -6.49 5.63 0.00 -2.05 -4.77 -1.26 -5.03 116.67 102.69 1tei s ASP 203 Ca 0.01 0.68 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 1tei s ASP 203 Cb 0.09 -1.70 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 1tei s ASP 203 CO 0.80 -1.02 0.58 -1.54 0.70 0.00 0.00 175.17 174.69 1tei n SER 204 N -2.53 0.00 -4.22 2.11 3.41 -1.26 -4.27 113.62 106.86 1tei n SER 204 Ca 0.04 0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 58.90 1tei n SER 204 Cb 0.57 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.40 2.84 0.76 7.33 3.76 -1.26 -5.12 115.29 121.20 1tei s HIS 205 Ca 0.00 -1.26 -0.12 0.00 -0.15 0.00 0.00 55.06 53.54 1tei s HIS 205 Cb 0.00 -1.98 0.05 0.00 1.11 0.00 0.00 32.58 31.77 1tei s HIS 205 CO 0.00 -0.64 1.10 -2.14 -0.85 0.00 0.00 174.74 172.21 1tei s PRO 206 N 1.24 2.26 -0.05 8.40 0.02 -1.26 -4.65 135.00 140.96 1tei s PRO 206 Ca 0.03 1.26 -0.29 0.00 0.02 0.00 0.00 61.00 62.02 1tei s PRO 206 Cb -0.14 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.59 1tei s PRO 206 CO -0.07 -1.65 0.83 0.00 -0.33 0.00 0.00 177.00 175.78 1tei s ALA 207 N -2.74 -1.82 -0.06 -1.55 0.00 -1.20 -3.94 121.76 110.45 1tei s ALA 207 Ca 0.63 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.90 1tei s ALA 207 Cb -0.19 -0.00 -0.14 0.00 0.00 0.00 0.00 23.12 22.80 1tei s ALA 207 CO 0.53 -0.49 0.11 -0.25 0.00 0.00 0.00 175.76 175.66 1tei n ASP 208 N 0.37 2.66 0.00 0.00 9.92 0.45 -2.96 116.55 126.98 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 0.60 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 42.12 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 2.20 1.31 3.25 0.44 0.00 -1.21 -2.26 105.19 108.92 1tei n GLY 209 Ca -0.10 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.62 1.51 -0.09 -0.61 1.01 -0.87 -2.64 121.20 117.89 1tei s ILE 210 Ca 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 1tei s ILE 210 Cb 0.00 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 41.09 1tei s ILE 210 CO 0.00 -0.13 0.23 0.00 0.00 0.00 0.00 174.94 175.04 1tei s ALA 211 N -1.24 -0.55 -0.15 9.38 0.00 0.70 -0.09 121.76 129.80 1tei s ALA 211 Ca 0.04 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 1tei s ALA 211 Cb -0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1tei s ALA 211 CO 0.04 -0.13 0.26 0.12 0.00 0.00 0.00 175.76 176.05 1tei s PHE 212 N 0.42 3.49 0.09 0.00 5.36 -0.18 -0.00 117.98 127.15 1tei s PHE 212 Ca -0.02 0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.51 1tei s PHE 212 Cb -0.04 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 1tei s PHE 212 CO -0.02 0.34 0.04 -0.59 -1.46 0.00 0.00 175.22 173.53 1tei s PHE 213 N 0.15 0.62 -0.06 10.12 -0.71 0.14 -0.77 117.98 127.47 1tei s PHE 213 Ca 0.16 -1.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.00 1tei s PHE 213 Cb -0.13 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 1tei s PHE 213 CO 0.04 -0.47 -0.15 0.42 -1.34 0.00 0.00 175.22 173.71 1tei s ILE 214 N -3.97 1.34 0.32 -4.49 1.01 0.28 -0.65 121.20 115.04 1tei s ILE 214 Ca 0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1tei s ILE 214 Cb 0.07 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 1tei s ILE 214 CO -0.05 0.40 0.46 -0.94 0.00 0.00 0.00 174.94 174.81 1tei s SER 215 N 0.36 0.68 0.51 3.58 1.04 -0.35 -2.26 113.70 117.25 1tei s SER 215 Ca -0.10 -1.38 -0.22 0.00 0.48 0.00 0.00 55.95 54.73 1tei s SER 215 Cb -0.14 0.63 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 1tei s SER 215 CO 0.04 -1.25 1.26 0.54 0.98 0.00 0.00 173.24 174.80 1tei s ASN 216 N -3.19 5.69 0.30 7.02 4.22 -1.24 -0.85 114.94 126.89 1tei s ASN 216 Ca 0.29 2.52 0.05 0.00 -2.14 0.00 0.00 52.86 53.58 1tei s ASN 216 Cb -0.00 -2.62 0.80 0.00 1.28 0.00 0.00 41.25 40.71 1tei s ASN 216 CO 0.18 -1.26 1.65 0.40 -2.04 0.00 0.00 177.10 176.03 1tei h ILE 217 N 1.61 0.31 -0.31 0.54 2.04 -1.86 -2.21 117.51 117.64 1tei h ILE 217 Ca -0.50 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1tei h ILE 217 Cb 1.27 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1tei h ILE 217 CO 0.58 0.04 0.02 -0.90 0.00 0.00 0.00 178.15 177.90 1tei n ASP 218 N -5.19 3.42 -4.75 1.72 5.75 -1.26 -4.88 116.55 111.37 1tei n ASP 218 Ca 0.24 -2.50 -0.35 0.00 -0.01 0.00 0.00 54.79 52.17 1tei n ASP 218 Cb 0.75 -0.60 0.05 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.38 4.96 0.19 -1.12 0.15 -0.83 -5.05 113.70 111.62 1tei s SER 219 Ca 0.28 2.29 -0.11 0.00 0.70 0.00 0.00 55.95 59.11 1tei s SER 219 Cb 0.21 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1tei s SER 219 CO 0.08 -1.74 0.36 -0.94 1.20 0.00 0.00 173.24 172.20 1tei s SER 220 N -1.89 -0.04 0.05 5.45 1.04 -1.26 -5.08 113.70 111.97 1tei s SER 220 Ca 0.74 -0.83 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 1tei s SER 220 Cb -0.28 0.49 -0.08 0.00 0.10 0.00 0.00 66.02 66.25 1tei s SER 220 CO 0.37 -0.97 1.71 -0.63 0.98 0.00 0.00 173.24 174.70 1tei s ILE 221 N -3.97 3.06 0.35 -1.02 1.01 -1.26 -4.96 121.20 114.41 1tei s ILE 221 Ca 0.18 0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 1tei s ILE 221 Cb 0.02 -3.27 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 1tei s ILE 221 CO 0.02 -0.01 1.31 -2.84 0.00 0.00 0.00 174.94 173.41 1tei s PRO 222 N 3.06 4.27 0.32 2.79 0.02 -1.26 -4.93 135.00 139.26 1tei s PRO 222 Ca 0.76 2.20 -0.29 0.00 0.02 0.00 0.00 61.00 63.69 1tei s PRO 222 Cb -0.40 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 31.01 1tei s PRO 222 CO 0.33 -0.26 1.55 -1.12 -0.33 0.00 0.00 177.00 177.17 1tei s SER 223 N -0.55 6.39 -0.86 2.53 0.01 -1.26 -2.69 113.70 117.26 1tei s SER 223 Ca 0.51 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.73 1tei s SER 223 Cb -0.39 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.19 1tei s SER 223 CO 0.52 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1tei n GLY 224 N 1.61 0.41 1.86 3.44 0.00 -1.26 -4.95 105.19 106.30 1tei n GLY 224 Ca 0.06 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 0.34 3.80 -3.07 1.61 3.41 -1.10 -4.94 113.62 113.68 1tei n SER 225 Ca -0.10 -3.12 -0.16 0.00 -0.26 0.00 0.00 58.87 55.22 1tei n SER 225 Cb 0.48 -0.74 0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1tei n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tei n THR 226 N -0.49 0.00 -4.05 6.66 -2.24 -1.26 -1.17 114.28 111.72 1tei n THR 226 Ca 0.41 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1tei n THR 226 Cb 1.31 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1tei n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tei n GLY 227 N -0.58 1.25 0.49 3.38 0.00 0.53 -3.13 105.19 107.14 1tei n GLY 227 Ca 0.09 -0.56 0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.22 114.38 112.99 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 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1tei n LEU 229 N -3.27 0.00 -1.89 0.08 4.77 -1.18 -4.93 117.00 110.57 1tei n LEU 229 Ca 0.19 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1tei n LEU 229 Cb 1.33 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 42.18 1tei n LEU 229 CO 0.22 -0.01 -0.10 0.18 -1.33 0.00 0.00 177.39 176.35 1tei n LEU 230 N -1.22 -0.75 -0.64 2.23 4.77 -0.46 -1.35 117.00 119.59 1tei n LEU 230 Ca 0.16 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.30 1tei n LEU 230 Cb 0.20 -1.69 -0.04 0.00 -2.33 0.00 0.00 43.42 39.57 1tei n LEU 230 CO 0.21 -0.27 -0.08 0.61 -1.33 0.00 0.00 177.39 176.53 1tei n GLY 231 N -0.46 0.95 0.23 -0.72 0.00 -0.32 -4.05 105.19 100.81 1tei n GLY 231 Ca -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.94 2.34 -4.74 0.99 4.77 -0.46 -4.48 117.00 114.48 1tei n LEU 232 Ca -0.08 -0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.58 1tei n LEU 232 Cb 0.39 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1tei n LEU 232 CO 0.13 0.49 -0.29 -0.36 -1.33 0.00 0.00 177.39 176.03 1tei s PHE 233 N -2.13 3.14 0.19 -1.77 0.08 -1.06 -4.75 117.98 111.68 1tei s PHE 233 Ca -0.09 0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.12 1tei s PHE 233 Cb 0.03 -1.64 0.07 0.00 -0.57 0.00 0.00 43.02 40.91 1tei s PHE 233 CO 0.14 0.50 1.44 -1.00 -0.10 0.00 0.00 175.22 176.21 1tei h PRO 234 N 3.72 0.01 -4.15 0.24 0.13 -1.92 -3.43 132.00 126.60 1tei h PRO 234 Ca -0.48 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 1tei h PRO 234 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1tei h PRO 234 CO 0.62 0.82 -0.21 0.16 -0.23 0.00 0.00 178.00 179.16 1tei s ASP 235 N -6.79 0.94 -0.32 1.44 1.47 -1.26 -4.92 116.67 107.22 1tei s ASP 235 Ca -0.00 -1.49 0.05 0.00 1.18 0.00 0.00 52.55 52.28 1tei s ASP 235 Cb 0.11 0.66 0.56 0.00 -0.34 0.00 0.00 42.92 43.91 1tei s ASP 235 CO 0.79 -1.28 1.68 0.00 0.68 0.00 0.00 175.17 177.04 1tei n ALA 236 N -0.56 4.68 1.83 2.11 0.00 -1.26 -4.75 120.51 122.55 1tei n ALA 236 Ca 0.01 -2.14 0.15 0.00 0.00 0.00 0.00 53.44 51.46 1tei n ALA 236 Cb 0.62 -1.30 0.87 0.00 0.00 0.00 0.00 19.45 19.63 1tei n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59