#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x50 s SER 2 N 0.00 3.27 -0.02 1.61 1.04 -1.26 -5.08 113.70 113.26 1x50 s SER 2 Ca 0.00 -3.07 -0.00 0.00 0.48 0.00 0.00 55.95 53.36 1x50 s SER 2 Cb 0.00 -0.99 0.02 0.00 0.10 0.00 0.00 66.02 65.15 1x50 s SER 2 CO 0.00 -0.19 0.03 -0.94 0.98 0.00 0.00 173.24 173.12 1x50 s SER 3 N -0.19 0.02 0.00 7.02 1.04 -1.26 -5.12 113.70 115.21 1x50 s SER 3 Ca 0.24 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1x50 s SER 3 Cb -0.10 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1x50 s SER 3 CO -0.10 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x50 n GLY 4 N 3.64 4.32 3.64 7.32 0.00 -1.26 -5.17 105.19 117.69 1x50 n GLY 4 Ca -0.20 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 1x50 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x50 s SER 5 N 0.00 -0.69 0.27 1.61 0.15 -1.26 -5.04 113.70 108.74 1x50 s SER 5 Ca 0.00 1.13 -0.04 0.00 0.70 0.00 0.00 55.95 57.74 1x50 s SER 5 Cb 0.00 1.26 0.56 0.00 -1.71 0.00 0.00 66.02 66.13 1x50 s SER 5 CO 0.00 -0.18 1.61 0.28 1.20 0.00 0.00 173.24 176.15 1x50 h SER 6 N 6.19 -0.42 -4.16 5.45 0.02 -2.07 -3.21 113.55 115.35 1x50 h SER 6 Ca -0.29 0.23 -0.66 0.00 -0.84 0.00 0.00 61.79 60.24 1x50 h SER 6 Cb 1.20 0.41 -0.39 0.00 0.14 0.00 0.00 62.40 63.76 1x50 h SER 6 CO 0.17 -0.25 -0.59 -0.83 -1.14 0.00 0.00 176.83 174.19 1x50 s GLY 7 N -3.97 2.35 0.09 -3.77 0.00 -1.26 -5.08 107.32 95.67 1x50 s GLY 7 Ca -0.13 -3.10 -0.31 0.00 0.00 0.00 0.00 44.72 41.17 1x50 s GLY 7 CO 0.77 1.02 1.29 -1.58 0.00 0.00 0.00 173.10 174.59 1x50 s HIS 8 N 0.04 3.34 -0.19 1.90 5.65 -1.22 -5.01 115.29 119.80 1x50 s HIS 8 Ca 0.15 1.14 -0.04 0.00 0.25 0.00 0.00 55.06 56.57 1x50 s HIS 8 Cb -0.23 -3.55 0.09 0.00 -1.18 0.00 0.00 32.58 27.71 1x50 s HIS 8 CO -0.02 -1.80 0.24 -0.65 -0.65 0.00 0.00 174.74 171.86 1x50 s GLN 9 N 1.01 0.20 -1.10 2.88 -0.21 -1.26 -5.07 119.66 116.11 1x50 s GLN 9 Ca 0.61 0.34 -0.24 0.00 0.02 0.00 0.00 55.36 56.10 1x50 s GLN 9 Cb -0.33 -0.90 -0.09 0.00 1.00 0.00 0.00 33.01 32.69 1x50 s GLN 9 CO 0.30 -0.58 1.97 -1.14 -2.12 0.00 0.00 175.29 173.71 1x50 s GLN 10 N 2.37 2.37 -0.56 2.91 -0.44 -1.26 -4.79 119.66 120.25 1x50 s GLN 10 Ca 0.07 -0.85 0.04 0.00 -2.50 0.00 0.00 55.36 52.12 1x50 s GLN 10 Cb -0.15 -5.17 0.17 0.00 -1.64 0.00 0.00 33.01 26.22 1x50 s GLN 10 CO -0.12 -3.98 0.41 -0.51 0.50 0.00 0.00 175.29 171.59 1x50 s LEU 11 N 11.41 3.20 -0.30 3.68 1.43 -1.26 -5.05 118.68 131.79 1x50 s LEU 11 Ca 0.71 -3.44 -0.12 0.00 -1.03 0.00 0.00 54.13 50.24 1x50 s LEU 11 Cb -0.03 -1.07 0.13 0.00 0.03 0.00 0.00 46.19 45.25 1x50 s LEU 11 CO 0.10 -0.13 0.75 0.20 0.23 0.00 0.00 176.35 177.50 1x50 s ASN 12 N -0.69 -0.96 0.17 2.29 -0.87 -1.26 -5.17 114.94 108.45 1x50 s ASN 12 Ca 0.28 1.35 0.09 0.00 -1.57 0.00 0.00 52.86 53.01 1x50 s ASN 12 Cb -0.02 2.00 -0.04 0.00 -0.02 0.00 0.00 41.25 43.17 1x50 s ASN 12 CO -0.17 -0.19 -0.19 -0.44 -2.57 0.00 0.00 177.10 173.54 1x50 s SER 13 N 2.58 2.76 0.53 -1.22 0.01 -1.26 -5.11 113.70 111.99 1x50 s SER 13 Ca -0.06 -0.87 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 1x50 s SER 13 Cb -0.09 -0.17 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 1x50 s SER 13 CO -0.19 -0.02 0.23 0.18 0.41 0.00 0.00 173.24 173.85 1x50 n LEU 14 N 0.25 -1.28 0.00 2.44 4.77 -1.26 -4.96 117.00 116.97 1x50 n LEU 14 Ca -0.13 0.70 -0.26 0.00 -0.03 0.00 0.00 56.01 56.29 1x50 n LEU 14 Cb 0.57 -1.02 0.22 0.00 -2.33 0.00 0.00 43.42 40.86 1x50 n LEU 14 CO 0.29 -3.85 0.53 -0.81 -1.33 0.00 0.00 177.39 172.22 1x50 n PRO 15 N 0.68 -2.89 -3.00 3.23 -0.04 -1.26 -5.02 135.00 126.70 1x50 n PRO 15 Ca 0.10 -1.53 -0.35 0.00 -0.04 0.00 0.00 63.50 61.68 1x50 n PRO 15 Cb 0.47 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1x50 n PRO 15 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x50 s THR 16 N -2.73 4.49 -0.36 0.52 -1.32 -1.26 -4.96 115.64 110.02 1x50 s THR 16 Ca 0.62 1.36 0.03 0.00 -1.21 0.00 0.00 61.69 62.49 1x50 s THR 16 Cb -0.06 -3.80 0.51 0.00 -1.51 0.00 0.00 72.50 67.63 1x50 s THR 16 CO 0.48 0.04 1.74 1.15 -2.21 0.00 0.00 174.62 175.82 1x50 n MET 17 N 0.27 2.00 -0.41 7.08 0.00 -1.26 -4.98 117.12 119.81 1x50 n MET 17 Ca 0.01 -2.36 -0.13 0.00 0.00 0.00 0.00 57.70 55.22 1x50 n MET 17 Cb 0.52 -1.92 0.13 0.00 0.00 0.00 0.00 33.22 31.94 1x50 n MET 17 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1x50 n GLU 18 N -0.75 -1.27 0.00 3.17 0.28 -1.26 -4.73 120.64 116.09 1x50 n GLU 18 Ca 0.47 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1x50 n GLU 18 Cb 1.35 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 32.97 1x50 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x50 n GLY 19 N -1.23 -0.03 3.68 -1.84 0.00 -1.26 -4.91 105.19 99.61 1x50 n GLY 19 Ca 0.06 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1x50 n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x50 s PRO 20 N 0.00 0.52 0.00 1.61 0.04 -1.26 -5.06 135.00 130.85 1x50 s PRO 20 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1x50 s PRO 20 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1x50 s PRO 20 CO 0.00 -2.68 0.00 -0.35 0.04 0.00 0.00 177.00 174.01 1x50 n PRO 21 N -4.15 -0.29 -3.92 0.56 -0.04 -1.26 -5.06 135.00 120.85 1x50 n PRO 21 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1x50 n PRO 21 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1x50 n PRO 21 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 22 N -0.64 4.94 -0.20 0.52 2.01 -1.10 -5.03 115.64 116.15 1x50 s THR 22 Ca 0.00 -1.06 -0.16 0.00 0.31 0.00 0.00 61.69 60.79 1x50 s THR 22 Cb 0.00 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 68.85 1x50 s THR 22 CO 0.00 -0.31 0.52 -0.36 -0.69 0.00 0.00 174.62 173.78 1x50 s PHE 23 N -2.04 -0.65 -1.54 4.92 0.08 -1.26 -3.75 117.98 113.74 1x50 s PHE 23 Ca 0.36 1.47 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 1x50 s PHE 23 Cb -0.09 0.27 0.01 0.00 -0.57 0.00 0.00 43.02 42.64 1x50 s PHE 23 CO 0.29 -0.33 0.07 0.09 -0.10 0.00 0.00 175.22 175.24 1x50 n ASN 24 N 3.36 0.71 -4.77 1.36 4.13 -0.14 -4.86 115.26 115.06 1x50 n ASN 24 Ca -0.17 -1.24 -0.40 0.00 1.68 0.00 0.00 54.58 54.45 1x50 n ASN 24 Cb 0.56 -1.80 -0.03 0.00 -1.54 0.00 0.00 39.78 36.97 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x50 s PRO 25 N -7.27 4.37 1.22 3.52 0.04 -1.26 -4.99 135.00 130.63 1x50 s PRO 25 Ca 0.02 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 1x50 s PRO 25 Cb -0.01 -3.02 0.29 0.00 0.04 0.00 0.00 34.50 31.81 1x50 s PRO 25 CO 0.98 -0.11 1.11 -1.25 0.04 0.00 0.00 177.00 177.78 1x50 s PRO 26 N -1.81 -1.35 -0.01 0.56 0.04 -1.26 -4.51 135.00 126.67 1x50 s PRO 26 Ca 0.49 -0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.42 1x50 s PRO 26 Cb -0.36 -1.59 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1x50 s PRO 26 CO 0.46 -3.79 0.01 0.08 0.04 0.00 0.00 177.00 173.81 1x50 s VAL 27 N -3.01 -0.01 0.41 -0.36 1.01 -1.26 -2.97 120.40 114.21 1x50 s VAL 27 Ca 0.71 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1x50 s VAL 27 Cb -0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 36.38 36.17 1x50 s VAL 27 CO 0.56 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.70 1x50 s PRO 28 N 0.24 3.98 -0.29 2.72 0.04 -1.26 -5.05 135.00 135.39 1x50 s PRO 28 Ca -0.02 1.87 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.03 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1x50 s PRO 28 CO -0.01 -0.39 0.34 -0.47 0.04 0.00 0.00 177.00 176.52 1x50 s TYR 29 N -1.42 3.23 -0.48 0.56 6.14 -0.18 -4.92 117.35 120.29 1x50 s TYR 29 Ca 0.58 0.26 -0.11 0.00 0.64 0.00 0.00 57.07 58.44 1x50 s TYR 29 Cb -0.31 -2.57 0.11 0.00 0.42 0.00 0.00 41.96 39.62 1x50 s TYR 29 CO 0.39 -0.27 0.37 -0.06 0.64 0.00 0.00 175.55 176.63 1x50 s PHE 30 N 2.01 3.36 -0.39 4.97 0.08 -1.26 -0.87 117.98 125.88 1x50 s PHE 30 Ca 0.13 -1.62 -0.03 0.00 0.12 0.00 0.00 56.93 55.52 1x50 s PHE 30 Cb -0.16 -3.46 0.10 0.00 -0.57 0.00 0.00 43.02 38.93 1x50 s PHE 30 CO 0.11 -0.96 0.18 0.20 -0.10 0.00 0.00 175.22 174.64 1x50 s GLY 31 N 2.80 1.95 -0.10 4.36 0.00 0.10 -4.99 107.32 111.44 1x50 s GLY 31 Ca 0.05 -2.38 -0.30 0.00 0.00 0.00 0.00 44.72 42.09 1x50 s GLY 31 CO 0.01 0.97 1.37 1.09 0.00 0.00 0.00 173.10 176.54 1x50 s ARG 32 N 1.18 4.24 0.58 2.90 1.04 -1.26 -0.91 118.95 126.72 1x50 s ARG 32 Ca 0.06 1.83 -0.19 0.00 -1.04 0.00 0.00 55.73 56.39 1x50 s ARG 32 Cb -0.22 -3.75 -0.04 0.00 -2.04 0.00 0.00 34.95 28.89 1x50 s ARG 32 CO -0.03 -0.68 1.21 -0.51 -0.04 0.00 0.00 175.30 175.24 1x50 s LEU 33 N 3.26 3.70 -0.85 -1.89 1.43 0.59 -4.78 118.68 120.13 1x50 s LEU 33 Ca 0.61 2.38 -0.02 0.00 -1.03 0.00 0.00 54.13 56.07 1x50 s LEU 33 Cb -0.26 -4.56 0.21 0.00 0.03 0.00 0.00 46.19 41.61 1x50 s LEU 33 CO 0.21 -1.52 0.73 -1.10 0.23 0.00 0.00 176.35 174.90 1x50 s GLN 34 N -3.27 3.18 0.00 1.70 -1.52 -1.26 -4.62 119.66 113.87 1x50 s GLN 34 Ca 0.76 -3.15 0.00 0.00 -1.95 0.00 0.00 55.36 51.02 1x50 s GLN 34 Cb -0.30 -3.93 0.00 0.00 -0.22 0.00 0.00 33.01 28.56 1x50 s GLN 34 CO 0.33 -1.25 0.00 0.41 -0.25 0.00 0.00 175.29 174.53 1x50 n GLY 35 N 2.53 4.13 0.00 3.09 0.00 -1.26 -4.59 105.19 109.09 1x50 n GLY 35 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1x50 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x50 n GLY 36 N 0.00 2.19 3.55 -0.02 0.00 -1.26 -4.94 105.19 104.72 1x50 n GLY 36 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1x50 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x50 n LEU 37 N 0.00 2.50 -4.49 0.99 4.77 -0.58 -4.94 117.00 115.25 1x50 n LEU 37 Ca 0.00 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.62 1x50 n LEU 37 Cb 0.00 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 39.49 1x50 n LEU 37 CO 0.00 -1.08 -0.49 0.42 -1.33 0.00 0.00 177.39 174.92 1x50 s THR 38 N 9.90 2.80 0.39 -5.08 -4.23 -1.26 -4.31 115.64 113.85 1x50 s THR 38 Ca 1.03 -1.65 0.33 0.00 -1.18 0.00 0.00 61.69 60.22 1x50 s THR 38 Cb -0.41 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.45 1x50 s THR 38 CO 0.34 0.01 2.01 0.00 -0.54 0.00 0.00 174.62 176.45 1x50 h ALA 39 N 3.45 1.08 -0.45 3.99 0.00 -1.74 0.11 119.26 125.71 1x50 h ALA 39 Ca -0.49 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1x50 h ALA 39 Cb 1.18 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1x50 h ALA 39 CO 0.48 -0.08 0.06 0.54 0.00 0.00 0.00 179.25 180.25 1x50 n ARG 40 N -2.74 2.22 -4.76 0.00 3.00 -1.26 -4.60 116.66 108.52 1x50 n ARG 40 Ca -0.02 -3.09 -0.32 0.00 -0.01 0.00 0.00 57.85 54.40 1x50 n ARG 40 Cb 0.14 -1.90 -0.12 0.00 0.00 0.00 0.00 32.46 30.58 1x50 n ARG 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x50 s ARG 41 N -3.16 2.46 -0.04 5.56 3.52 0.39 -4.25 118.95 123.43 1x50 s ARG 41 Ca 0.47 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1x50 s ARG 41 Cb 0.41 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 31.44 1x50 s ARG 41 CO 0.04 0.61 0.05 0.99 -0.81 0.00 0.00 175.30 176.18 1x50 s THR 42 N -0.81 -0.06 0.11 4.11 2.01 -0.66 -1.86 115.64 118.47 1x50 s THR 42 Ca 0.13 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.36 1x50 s THR 42 Cb -0.11 -0.18 -0.07 0.00 0.01 0.00 0.00 72.50 72.16 1x50 s THR 42 CO 0.02 0.18 0.52 -0.63 -0.69 0.00 0.00 174.62 174.02 1x50 s ILE 43 N 2.00 4.89 -0.04 1.82 1.09 0.17 -2.05 121.20 129.08 1x50 s ILE 43 Ca 0.03 0.84 0.01 0.00 -1.10 0.00 0.00 60.65 60.43 1x50 s ILE 43 Cb -0.12 -3.75 0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1x50 s ILE 43 CO -0.03 0.33 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.49 1x50 s ILE 44 N -1.36 0.34 -0.24 2.92 1.01 -1.18 -0.41 121.20 122.29 1x50 s ILE 44 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 1x50 s ILE 44 Cb -0.16 -0.41 0.07 0.00 0.01 0.00 0.00 42.46 41.97 1x50 s ILE 44 CO 0.18 0.18 0.01 -0.63 0.00 0.00 0.00 174.94 174.69 1x50 s ILE 45 N 1.02 1.05 -0.31 2.92 1.01 0.11 -3.32 121.20 123.69 1x50 s ILE 45 Ca -0.10 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.45 1x50 s ILE 45 Cb -0.14 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1x50 s ILE 45 CO -0.01 -0.27 0.07 -0.54 0.00 0.00 0.00 174.94 174.19 1x50 s LYS 46 N 1.60 2.75 0.00 2.79 1.02 -0.22 -1.78 119.74 125.89 1x50 s LYS 46 Ca -0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1x50 s LYS 46 Cb -0.18 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1x50 s LYS 46 CO -0.11 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 1x50 n GLY 47 N 4.79 4.84 3.58 -3.33 0.00 -1.22 -1.12 105.19 112.73 1x50 n GLY 47 Ca -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 1x50 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x50 s TYR 48 N 0.73 -0.78 -0.24 1.61 6.14 1.00 -3.22 117.35 122.60 1x50 s TYR 48 Ca 0.00 1.46 -0.29 0.00 0.64 0.00 0.00 57.07 58.88 1x50 s TYR 48 Cb 0.00 0.47 -0.01 0.00 0.42 0.00 0.00 41.96 42.84 1x50 s TYR 48 CO 0.00 -0.39 1.32 0.08 0.64 0.00 0.00 175.55 177.21 1x50 s VAL 49 N 1.87 4.14 0.69 3.14 1.01 -1.17 -1.48 120.40 128.60 1x50 s VAL 49 Ca -0.07 1.33 -0.14 0.00 0.00 0.00 0.00 61.98 63.10 1x50 s VAL 49 Cb -0.05 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1x50 s VAL 49 CO -0.17 -0.32 1.11 -2.16 0.00 0.00 0.00 175.10 173.56 1x50 s PRO 50 N 3.96 2.67 0.30 2.72 0.04 -1.26 -1.20 135.00 142.23 1x50 s PRO 50 Ca 0.57 1.34 0.25 0.00 0.04 0.00 0.00 61.00 63.20 1x50 s PRO 50 Cb -0.20 -1.94 1.05 0.00 0.04 0.00 0.00 34.50 33.45 1x50 s PRO 50 CO 0.21 -1.34 1.75 -1.00 0.04 0.00 0.00 177.00 176.65 1x50 h PRO 51 N -0.25 0.00 -0.32 0.56 0.13 -1.94 -2.50 132.00 127.67 1x50 h PRO 51 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x50 h PRO 51 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x50 h PRO 51 CO 0.53 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 1x50 n THR 52 N -2.36 1.61 -3.86 1.56 -2.24 -1.26 -4.95 114.28 102.78 1x50 n THR 52 Ca 0.02 -1.40 -0.36 0.00 -2.27 0.00 0.00 64.05 60.04 1x50 n THR 52 Cb 0.24 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 1x50 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x50 s GLY 53 N -1.40 1.68 0.04 3.38 0.00 -0.94 -5.01 107.32 105.07 1x50 s GLY 53 Ca 0.33 -1.14 -0.31 0.00 0.00 0.00 0.00 44.72 43.60 1x50 s GLY 53 CO 0.13 0.45 1.39 0.50 0.00 0.00 0.00 173.10 175.58 1x50 h LYS 54 N 8.11 -1.09 -1.48 2.90 1.57 -1.87 -3.45 116.57 121.26 1x50 h LYS 54 Ca -0.40 0.07 0.21 0.00 -1.87 0.00 0.00 60.65 58.67 1x50 h LYS 54 Cb 1.17 0.25 -0.21 0.00 0.08 0.00 0.00 32.23 33.52 1x50 h LYS 54 CO 0.59 -0.73 0.77 -1.54 -0.57 0.00 0.00 179.45 177.97 1x50 s SER 55 N -3.92 -0.17 0.25 0.86 1.04 -1.26 -4.27 113.70 106.22 1x50 s SER 55 Ca -0.17 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1x50 s SER 55 Cb 0.02 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1x50 s SER 55 CO 0.50 -0.25 0.17 2.22 0.98 0.00 0.00 173.24 176.86 1x50 n PHE 56 N 0.14 -0.90 -3.68 5.02 -1.74 -1.25 -2.03 117.46 113.02 1x50 n PHE 56 Ca -0.02 -1.08 -0.14 0.00 -0.56 0.00 0.00 57.45 55.65 1x50 n PHE 56 Cb 0.59 -0.20 -0.08 0.00 1.52 0.00 0.00 39.48 41.30 1x50 n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x50 s ALA 57 N -2.37 -1.37 -0.34 1.98 0.00 -0.08 -3.72 121.76 115.87 1x50 s ALA 57 Ca 0.13 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1x50 s ALA 57 Cb -0.01 -0.80 0.10 0.00 0.00 0.00 0.00 23.12 22.41 1x50 s ALA 57 CO 0.08 -0.27 0.05 0.42 0.00 0.00 0.00 175.76 176.05 1x50 s ILE 58 N 0.12 2.13 0.04 0.00 1.09 0.92 -2.25 121.20 123.24 1x50 s ILE 58 Ca -0.01 -2.25 0.00 0.00 -1.10 0.00 0.00 60.65 57.29 1x50 s ILE 58 Cb -0.04 -2.58 -0.04 0.00 -1.06 0.00 0.00 42.46 38.74 1x50 s ILE 58 CO 0.02 -0.60 0.14 0.20 -0.10 0.00 0.00 174.94 174.59 1x50 s ASN 59 N 0.98 5.97 -0.32 3.58 0.01 -0.90 -2.07 114.94 122.18 1x50 s ASN 59 Ca 0.11 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 1x50 s ASN 59 Cb -0.19 -1.76 0.09 0.00 0.41 0.00 0.00 41.25 39.80 1x50 s ASN 59 CO -0.10 0.21 0.00 -0.36 -1.51 0.00 0.00 177.10 175.35 1x50 s PHE 60 N -1.36 3.62 0.45 2.20 0.40 -0.07 -1.61 117.98 121.61 1x50 s PHE 60 Ca 0.29 -2.81 0.03 0.00 -0.60 0.00 0.00 56.93 53.84 1x50 s PHE 60 Cb -0.12 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1x50 s PHE 60 CO 0.21 -0.93 0.64 0.21 0.70 0.00 0.00 175.22 176.05 1x50 s LYS 61 N 0.96 2.89 -0.22 0.44 2.20 -0.49 -1.47 119.74 124.06 1x50 s LYS 61 Ca 0.05 -0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 54.75 1x50 s LYS 61 Cb -0.19 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1x50 s LYS 61 CO -0.07 -0.33 0.23 0.08 -0.36 0.00 0.00 175.35 174.91 1x50 s VAL 62 N -2.50 5.31 0.35 4.02 1.01 -0.42 -0.55 120.40 127.62 1x50 s VAL 62 Ca 0.51 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1x50 s VAL 62 Cb -0.10 -3.57 0.23 0.00 0.00 0.00 0.00 36.38 32.94 1x50 s VAL 62 CO 0.36 0.32 1.97 1.23 0.00 0.00 0.00 175.10 178.98 1x50 h GLY 63 N 7.48 0.78 0.00 4.51 0.00 -1.80 -0.92 103.07 113.12 1x50 h GLY 63 Ca -0.38 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1x50 h GLY 63 CO 0.68 0.33 0.00 1.44 0.00 0.00 0.00 176.54 178.99 1x50 n SER 64 N -4.39 0.00 0.00 0.19 7.64 -1.26 -4.68 113.62 111.12 1x50 n SER 64 Ca 0.05 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1x50 n SER 64 Cb 0.11 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1x50 n SER 64 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x50 n SER 65 N -1.51 0.00 0.00 6.43 2.88 -1.24 -5.05 113.62 115.13 1x50 n SER 65 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1x50 n SER 65 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1x50 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 66 N 2.07 0.46 3.56 0.46 0.00 -0.35 -4.96 105.19 106.44 1x50 n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x50 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 67 N -0.77 4.39 -0.24 1.61 1.01 -1.26 -4.66 116.67 116.74 1x50 s ASP 67 Ca 0.00 -0.28 -0.18 0.00 0.71 0.00 0.00 52.55 52.79 1x50 s ASP 67 Cb 0.00 -0.91 -0.03 0.00 1.01 0.00 0.00 42.92 43.00 1x50 s ASP 67 CO 0.00 0.24 0.54 -0.63 0.21 0.00 0.00 175.17 175.53 1x50 s ILE 68 N -1.06 5.06 -0.11 0.77 1.01 0.16 -1.30 121.20 125.74 1x50 s ILE 68 Ca 0.18 0.95 -0.00 0.00 0.00 0.00 0.00 60.65 61.78 1x50 s ILE 68 Cb -0.11 -3.85 -0.25 0.00 0.01 0.00 0.00 42.46 38.26 1x50 s ILE 68 CO 0.09 0.10 0.39 0.00 0.00 0.00 0.00 174.94 175.53 1x50 n ALA 69 N 5.35 1.11 -3.59 9.38 0.00 -0.54 -1.63 120.51 130.59 1x50 n ALA 69 Ca -0.04 -0.70 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 1x50 n ALA 69 Cb 0.50 -0.67 -0.16 0.00 0.00 0.00 0.00 19.45 19.12 1x50 n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x50 s LEU 70 N -6.70 1.36 -0.37 0.00 2.96 -1.26 -4.48 118.68 110.20 1x50 s LEU 70 Ca -0.18 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1x50 s LEU 70 Cb 0.07 -0.41 0.13 0.00 0.50 0.00 0.00 46.19 46.48 1x50 s LEU 70 CO 0.77 -0.05 0.19 -2.28 -1.32 0.00 0.00 176.35 173.66 1x50 s HIS 71 N 0.85 1.31 -0.12 5.38 5.65 0.63 -0.89 115.29 128.10 1x50 s HIS 71 Ca -0.11 -1.85 -0.12 0.00 0.25 0.00 0.00 55.06 53.23 1x50 s HIS 71 Cb -0.14 -1.41 -0.05 0.00 -1.18 0.00 0.00 32.58 29.80 1x50 s HIS 71 CO 0.00 -0.82 0.27 0.42 -0.65 0.00 0.00 174.74 173.96 1x50 s ILE 72 N 1.04 5.30 -0.21 0.89 1.01 -0.88 -0.08 121.20 128.27 1x50 s ILE 72 Ca 0.15 0.51 -0.04 0.00 0.00 0.00 0.00 60.65 61.27 1x50 s ILE 72 Cb -0.22 -3.59 0.08 0.00 0.01 0.00 0.00 42.46 38.74 1x50 s ILE 72 CO -0.08 0.48 0.12 0.21 0.00 0.00 0.00 174.94 175.67 1x50 s ASN 73 N -0.15 2.46 0.66 3.58 3.04 -0.00 -0.06 114.94 124.46 1x50 s ASN 73 Ca 0.17 -0.72 -0.15 0.00 0.04 0.00 0.00 52.86 52.20 1x50 s ASN 73 Cb -0.13 -0.16 -0.00 0.00 -1.54 0.00 0.00 41.25 39.42 1x50 s ASN 73 CO 0.05 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.69 1x50 s PRO 74 N 2.16 2.80 -0.33 0.43 0.04 -1.24 -1.73 135.00 137.13 1x50 s PRO 74 Ca 0.04 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1x50 s PRO 74 Cb -0.16 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.53 1x50 s PRO 74 CO -0.17 -1.25 0.10 1.03 0.04 0.00 0.00 177.00 176.75 1x50 s ARG 75 N -4.10 0.91 0.46 4.56 0.52 -0.82 -4.46 118.95 116.02 1x50 s ARG 75 Ca 0.67 -1.31 -0.24 0.00 -0.52 0.00 0.00 55.73 54.33 1x50 s ARG 75 Cb -0.20 -2.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.91 1x50 s ARG 75 CO 0.42 -0.99 1.18 -1.33 0.02 0.00 0.00 175.30 174.60 1x50 n MET 76 N 4.63 1.63 0.00 3.54 2.81 -1.26 -2.94 117.12 125.53 1x50 n MET 76 Ca -0.00 0.59 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 1x50 n MET 76 Cb 0.41 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 1x50 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x50 n GLY 77 N 0.96 1.74 0.08 3.03 0.00 -1.26 -4.71 105.19 105.04 1x50 n GLY 77 Ca 0.09 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 1x50 n GLY 77 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x50 h ASN 78 N 0.00 0.14 0.00 1.61 2.35 -1.98 -3.49 115.58 114.22 1x50 h ASN 78 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1x50 h ASN 78 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1x50 h ASN 78 CO 0.00 0.89 0.00 0.61 -1.65 0.00 0.00 177.43 177.28 1x50 n GLY 79 N 1.01 0.86 3.21 2.83 0.00 -1.15 -4.90 105.19 107.05 1x50 n GLY 79 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1x50 n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x50 s THR 80 N -0.85 2.73 -0.41 2.61 -4.23 -1.24 -4.60 115.64 109.65 1x50 s THR 80 Ca 0.00 -0.77 -0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1x50 s THR 80 Cb 0.00 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.67 1x50 s THR 80 CO 0.00 0.43 0.24 -0.69 -0.54 0.00 0.00 174.62 174.07 1x50 s VAL 81 N 1.37 4.27 0.14 2.29 1.01 -1.26 -1.94 120.40 126.27 1x50 s VAL 81 Ca 0.04 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 1x50 s VAL 81 Cb -0.14 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1x50 s VAL 81 CO -0.08 -0.44 1.08 -0.69 0.00 0.00 0.00 175.10 174.97 1x50 s VAL 82 N 1.45 4.07 -0.15 2.92 1.01 -0.70 -4.22 120.40 124.78 1x50 s VAL 82 Ca 0.03 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.72 1x50 s VAL 82 Cb -0.22 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1x50 s VAL 82 CO 0.03 0.25 -0.21 -0.13 0.00 0.00 0.00 175.10 175.04 1x50 s ARG 83 N 0.02 2.92 0.36 2.72 3.00 0.13 -0.82 118.95 127.28 1x50 s ARG 83 Ca 0.51 -0.81 0.05 0.00 0.00 0.00 0.00 55.73 55.47 1x50 s ARG 83 Cb -0.28 -2.42 -0.02 0.00 0.00 0.00 0.00 34.95 32.24 1x50 s ARG 83 CO 0.33 -0.08 0.19 0.09 0.00 0.00 0.00 175.30 175.83 1x50 n ASN 84 N 4.25 0.49 -3.15 0.23 4.13 0.88 -1.93 115.26 120.16 1x50 n ASN 84 Ca -0.20 -3.07 0.04 0.00 1.68 0.00 0.00 54.58 53.03 1x50 n ASN 84 Cb 0.51 1.21 -0.01 0.00 -1.54 0.00 0.00 39.78 39.96 1x50 n ASN 84 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1x50 s SER 85 N -3.31 -1.46 -0.27 6.41 1.04 -1.26 0.23 113.70 115.08 1x50 s SER 85 Ca 0.27 0.56 -0.29 0.00 0.48 0.00 0.00 55.95 56.96 1x50 s SER 85 Cb 0.01 2.08 0.00 0.00 0.10 0.00 0.00 66.02 68.22 1x50 s SER 85 CO 0.19 -0.27 1.20 -0.22 0.98 0.00 0.00 173.24 175.12 1x50 s LEU 86 N 2.85 3.99 0.37 2.42 2.96 -0.64 -0.53 118.68 130.09 1x50 s LEU 86 Ca 0.16 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1x50 s LEU 86 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -0.91 0.58 -0.76 -1.32 0.00 0.00 176.35 173.71 1x50 s LEU 87 N 3.86 3.93 -0.87 -0.68 1.43 0.66 0.40 118.68 127.40 1x50 s LEU 87 Ca 0.52 0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 53.74 1x50 s LEU 87 Cb -0.16 -3.30 -0.20 0.00 0.03 0.00 0.00 46.19 42.55 1x50 s LEU 87 CO 0.17 -0.38 2.46 -0.46 0.23 0.00 0.00 176.35 178.37 1x50 n ASN 88 N -1.86 0.33 0.00 2.29 2.04 -1.26 0.24 115.26 117.04 1x50 n ASN 88 Ca -0.03 0.23 0.00 0.00 -0.44 0.00 0.00 54.58 54.34 1x50 n ASN 88 Cb 0.56 -0.86 0.00 0.00 -2.53 0.00 0.00 39.78 36.96 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x50 n GLY 89 N 6.21 0.71 3.67 4.83 0.00 -1.26 -4.91 105.19 114.45 1x50 n GLY 89 Ca 0.60 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 1x50 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x50 s SER 90 N -2.50 4.01 0.19 1.61 0.15 0.65 -5.16 113.70 112.65 1x50 s SER 90 Ca 0.00 -1.41 0.06 0.00 0.70 0.00 0.00 55.95 55.30 1x50 s SER 90 Cb 0.00 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.10 1x50 s SER 90 CO 0.00 -0.57 -0.11 0.26 1.20 0.00 0.00 173.24 174.02 1x50 s TRP 91 N -2.74 1.53 0.00 3.44 0.52 -1.26 0.24 118.94 120.66 1x50 s TRP 91 Ca 0.29 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.71 1x50 s TRP 91 Cb 0.07 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.63 1x50 s TRP 91 CO 0.15 0.20 0.00 0.41 0.02 0.00 0.00 176.95 177.73 1x50 n GLY 92 N -0.32 0.78 3.63 0.98 0.00 0.31 -4.71 105.19 105.86 1x50 n GLY 92 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1x50 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 93 N -1.00 -0.08 -0.30 1.61 0.01 -1.26 -4.97 113.70 107.71 1x50 s SER 93 Ca 0.00 -0.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.99 1x50 s SER 93 Cb 0.00 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 1x50 s SER 93 CO 0.00 -0.37 0.19 -1.61 0.41 0.00 0.00 173.24 171.86 1x50 s GLU 94 N -2.53 3.75 -0.05 12.44 2.02 -1.26 -3.92 118.70 129.15 1x50 s GLU 94 Ca 0.14 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.72 1x50 s GLU 94 Cb 0.04 -3.67 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 1x50 s GLU 94 CO -0.03 -0.27 -0.21 -1.21 0.02 0.00 0.00 175.26 173.56 1x50 s GLU 95 N 1.73 2.18 -0.13 1.61 0.41 -0.81 -4.92 118.70 118.76 1x50 s GLU 95 Ca 0.07 -0.74 -0.01 0.00 -0.41 0.00 0.00 54.97 53.87 1x50 s GLU 95 Cb -0.16 -1.85 0.04 0.00 -1.78 0.00 0.00 34.13 30.37 1x50 s GLU 95 CO 0.10 0.29 -0.03 0.15 -0.49 0.00 0.00 175.26 175.28 1x50 s LYS 96 N -0.01 1.06 -0.30 1.61 1.02 -1.26 0.22 119.74 122.07 1x50 s LYS 96 Ca -0.05 -0.24 -0.05 0.00 0.02 0.00 0.00 55.97 55.65 1x50 s LYS 96 Cb -0.13 -1.60 0.18 0.00 -0.52 0.00 0.00 37.83 35.77 1x50 s LYS 96 CO 0.03 -0.39 0.75 0.21 -0.92 0.00 0.00 175.35 175.04 1x50 s LYS 97 N 1.80 0.44 0.02 1.68 2.20 -1.26 -5.01 119.74 119.62 1x50 s LYS 97 Ca 0.03 0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 56.31 1x50 s LYS 97 Cb -0.14 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1x50 s LYS 97 CO -0.07 -0.47 0.27 -1.50 -0.36 0.00 0.00 175.35 173.22 1x50 s ILE 98 N 2.88 0.08 -0.19 5.43 2.07 -1.26 -4.79 121.20 125.42 1x50 s ILE 98 Ca 0.13 -0.67 -0.20 0.00 -1.41 0.00 0.00 60.65 58.51 1x50 s ILE 98 Cb -0.13 -0.80 -0.20 0.00 0.13 0.00 0.00 42.46 41.46 1x50 s ILE 98 CO -0.18 -0.37 0.25 0.00 -1.91 0.00 0.00 174.94 172.74 1x50 h THR 99 N 3.54 0.89 -3.34 4.00 1.03 -1.87 -3.47 112.91 113.70 1x50 h THR 99 Ca -0.31 -2.21 -0.31 0.00 -0.01 0.00 0.00 66.41 63.57 1x50 h THR 99 Cb 1.19 2.29 -0.35 0.00 -1.07 0.00 0.00 68.15 70.20 1x50 h THR 99 CO 0.44 0.40 -0.69 -1.38 -0.01 0.00 0.00 175.52 174.28 1x50 s HIS 100 N -2.39 -0.03 -0.58 0.00 -3.43 -1.26 -5.11 115.29 102.49 1x50 s HIS 100 Ca -0.28 0.32 -0.11 0.00 -0.80 0.00 0.00 55.06 54.19 1x50 s HIS 100 Cb 0.06 -0.28 0.15 0.00 -1.43 0.00 0.00 32.58 31.07 1x50 s HIS 100 CO 0.62 -0.16 0.48 1.21 -2.00 0.00 0.00 174.74 174.89 1x50 s ASN 101 N 1.62 5.98 0.32 7.38 3.84 -1.26 -4.90 114.94 127.92 1x50 s ASN 101 Ca -0.03 -2.16 0.11 0.00 0.21 0.00 0.00 52.86 50.99 1x50 s ASN 101 Cb -0.12 -2.08 0.52 0.00 -0.55 0.00 0.00 41.25 39.01 1x50 s ASN 101 CO -0.04 -0.67 1.71 1.55 -2.79 0.00 0.00 177.10 176.86 1x50 h PRO 102 N 8.25 0.04 -5.53 0.43 0.13 -1.97 -3.44 132.00 129.91 1x50 h PRO 102 Ca -0.14 -0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.36 1x50 h PRO 102 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1x50 h PRO 102 CO 0.86 0.52 1.56 1.19 -0.23 0.00 0.00 178.00 181.90 1x50 n PHE 103 N -3.96 1.00 -4.36 1.56 3.72 -1.26 -4.89 117.46 109.27 1x50 n PHE 103 Ca -0.02 0.45 -0.20 0.00 -0.05 0.00 0.00 57.45 57.64 1x50 n PHE 103 Cb 0.51 -2.41 -0.15 0.00 -0.94 0.00 0.00 39.48 36.49 1x50 n PHE 103 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x50 s GLY 104 N 8.18 0.50 -0.68 1.37 0.00 -1.26 -4.57 107.32 110.86 1x50 s GLY 104 Ca 1.23 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 45.38 1x50 s GLY 104 CO 0.52 -0.07 1.88 2.56 0.00 0.00 0.00 173.10 177.99 1x50 s PRO 105 N 0.20 2.61 0.00 2.90 0.04 -1.26 -2.31 135.00 137.18 1x50 s PRO 105 Ca -0.03 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1x50 s PRO 105 Cb -0.08 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1x50 s PRO 105 CO 0.00 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1x50 n GLY 106 N 5.96 0.37 3.13 0.56 0.00 -0.34 -4.63 105.19 110.23 1x50 n GLY 106 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1x50 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x50 s GLN 107 N 0.00 0.71 0.88 1.61 0.00 -0.98 -4.98 119.66 116.90 1x50 s GLN 107 Ca 0.00 -1.10 -0.13 0.00 -0.00 0.00 0.00 55.36 54.13 1x50 s GLN 107 Cb 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 33.01 32.89 1x50 s GLN 107 CO 0.00 0.01 1.18 -0.59 0.00 0.00 0.00 175.29 175.89 1x50 s PHE 108 N -2.71 2.56 -0.28 9.60 -0.71 -1.26 -3.03 117.98 122.15 1x50 s PHE 108 Ca 0.03 0.73 -0.19 0.00 -1.04 0.00 0.00 56.93 56.46 1x50 s PHE 108 Cb -0.01 -3.53 0.08 0.00 -1.21 0.00 0.00 43.02 38.35 1x50 s PHE 108 CO -0.03 -2.16 0.70 -0.59 -1.34 0.00 0.00 175.22 171.81 1x50 s PHE 109 N -3.49 -0.98 -0.46 3.49 -0.71 -1.20 -4.85 117.98 109.79 1x50 s PHE 109 Ca 0.64 2.07 -0.13 0.00 -1.04 0.00 0.00 56.93 58.48 1x50 s PHE 109 Cb -0.12 0.52 0.09 0.00 -1.21 0.00 0.00 43.02 42.30 1x50 s PHE 109 CO 0.51 -0.48 0.36 0.34 -1.34 0.00 0.00 175.22 174.61 1x50 s ASP 110 N 1.23 5.93 -0.12 1.98 2.15 -1.26 -3.43 116.67 123.16 1x50 s ASP 110 Ca -0.07 -1.52 -0.05 0.00 0.43 0.00 0.00 52.55 51.35 1x50 s ASP 110 Cb -0.05 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 1x50 s ASP 110 CO -0.13 -0.64 0.05 -0.22 -0.17 0.00 0.00 175.17 174.06 1x50 s LEU 111 N 1.53 3.86 -0.19 -1.34 1.98 -0.74 -1.32 118.68 122.46 1x50 s LEU 111 Ca 0.04 0.22 -0.04 0.00 -2.89 0.00 0.00 54.13 51.46 1x50 s LEU 111 Cb -0.25 -1.92 0.09 0.00 0.66 0.00 0.00 46.19 44.77 1x50 s LEU 111 CO 0.04 0.34 0.22 -0.44 -1.89 0.00 0.00 176.35 174.62 1x50 s SER 112 N -0.64 1.22 0.01 3.68 0.01 -0.62 0.10 113.70 117.46 1x50 s SER 112 Ca 0.11 -0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.13 1x50 s SER 112 Cb -0.12 0.40 -0.06 0.00 0.21 0.00 0.00 66.02 66.46 1x50 s SER 112 CO 0.02 -0.31 0.42 -0.63 0.41 0.00 0.00 173.24 173.15 1x50 s ILE 113 N 2.33 5.01 -0.07 1.44 1.09 0.46 -0.52 121.20 130.93 1x50 s ILE 113 Ca 0.06 0.85 0.02 0.00 -1.10 0.00 0.00 60.65 60.48 1x50 s ILE 113 Cb -0.15 -3.72 -0.02 0.00 -1.06 0.00 0.00 42.46 37.50 1x50 s ILE 113 CO -0.11 0.56 -0.12 -0.13 -0.10 0.00 0.00 174.94 175.03 1x50 s ARG 114 N -1.15 2.76 -0.26 2.79 0.52 -0.47 0.44 118.95 123.59 1x50 s ARG 114 Ca 0.25 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1x50 s ARG 114 Cb -0.17 -2.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.81 1x50 s ARG 114 CO 0.14 0.54 0.04 0.00 0.02 0.00 0.00 175.30 176.04 1x50 n GLY 116 N 4.86 5.09 0.01 0.00 0.00 -1.24 -4.08 105.19 109.83 1x50 n GLY 116 Ca -0.16 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 1x50 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x50 n LEU 117 N 0.00 1.83 0.04 0.99 4.77 -1.26 -4.23 117.00 119.14 1x50 n LEU 117 Ca 0.00 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1x50 n LEU 117 Cb 0.00 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1x50 n LEU 117 CO 0.00 0.34 -0.59 0.44 -1.33 0.00 0.00 177.39 176.25 1x50 h ASP 118 N 0.00 0.46 -5.66 -1.43 3.32 -1.99 -3.49 116.42 107.64 1x50 h ASP 118 Ca -0.04 -0.80 0.32 0.00 0.02 0.00 0.00 57.03 56.53 1x50 h ASP 118 Cb 1.07 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.35 1x50 h ASP 118 CO -0.00 1.69 0.82 0.00 -1.72 0.00 0.00 179.24 180.02 1x50 s ARG 119 N -2.58 0.41 0.17 3.56 1.70 -1.26 -4.21 118.95 116.74 1x50 s ARG 119 Ca -0.16 -0.22 -0.10 0.00 -0.47 0.00 0.00 55.73 54.78 1x50 s ARG 119 Cb 0.06 0.14 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 1x50 s ARG 119 CO 0.82 -0.19 0.49 -0.06 -1.08 0.00 0.00 175.30 175.29 1x50 s PHE 120 N -2.45 3.51 -0.32 5.89 0.40 -0.97 -3.59 117.98 120.45 1x50 s PHE 120 Ca 0.14 0.86 0.03 0.00 -0.60 0.00 0.00 56.93 57.36 1x50 s PHE 120 Cb 0.04 -2.23 0.09 0.00 0.51 0.00 0.00 43.02 41.43 1x50 s PHE 120 CO -0.04 0.38 0.02 0.15 0.70 0.00 0.00 175.22 176.43 1x50 s LYS 121 N -2.39 1.59 -0.05 0.44 1.02 -0.75 -2.22 119.74 117.38 1x50 s LYS 121 Ca 0.41 -1.71 -0.21 0.00 0.02 0.00 0.00 55.97 54.48 1x50 s LYS 121 Cb -0.13 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 1x50 s LYS 121 CO 0.20 -0.86 0.60 0.08 -0.92 0.00 0.00 175.35 174.45 1x50 s VAL 122 N 0.99 5.02 0.23 3.17 1.01 -0.64 -1.37 120.40 128.80 1x50 s VAL 122 Ca 0.07 1.24 0.11 0.00 0.00 0.00 0.00 61.98 63.40 1x50 s VAL 122 Cb -0.19 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1x50 s VAL 122 CO -0.08 0.34 -0.19 -0.31 0.00 0.00 0.00 175.10 174.86 1x50 s TYR 123 N 0.31 2.36 -0.19 5.22 1.51 0.32 -0.47 117.35 126.42 1x50 s TYR 123 Ca 0.32 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1x50 s TYR 123 Cb -0.17 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 40.65 1x50 s TYR 123 CO 0.16 0.59 0.15 0.00 -1.11 0.00 0.00 175.55 175.33 1x50 s ALA 124 N -2.01 0.13 -1.51 3.71 0.00 -0.03 -1.59 121.76 120.47 1x50 s ALA 124 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1x50 s ALA 124 Cb -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1x50 s ALA 124 CO 0.13 -1.21 0.00 0.09 0.00 0.00 0.00 175.76 174.77 1x50 n ASN 125 N 5.30 -4.98 -0.02 0.00 3.02 -0.43 -1.25 115.26 116.90 1x50 n ASN 125 Ca -0.06 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1x50 n ASN 125 Cb 0.49 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 1x50 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 126 N -0.85 0.84 2.73 7.41 0.00 -1.26 -5.07 105.19 108.99 1x50 n GLY 126 Ca -0.20 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1x50 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x50 s GLN 127 N -3.17 0.25 -0.53 1.61 -1.52 -0.38 -5.09 119.66 110.83 1x50 s GLN 127 Ca 0.00 0.23 -0.32 0.00 -1.95 0.00 0.00 55.36 53.32 1x50 s GLN 127 Cb 0.00 -0.69 -0.13 0.00 -0.22 0.00 0.00 33.01 31.98 1x50 s GLN 127 CO 0.00 -0.29 2.36 1.58 -0.25 0.00 0.00 175.29 178.69 1x50 n HIS 128 N 5.06 1.31 0.01 0.91 -0.00 -1.26 -0.85 115.22 120.41 1x50 n HIS 128 Ca -0.08 0.27 -0.01 0.00 -0.00 0.00 0.00 57.72 57.90 1x50 n HIS 128 Cb 0.50 -2.52 -0.00 0.00 -0.00 0.00 0.00 29.99 27.97 1x50 n HIS 128 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1x50 h LEU 129 N 14.15 -0.04 -7.74 0.27 5.85 -1.07 -3.45 115.31 123.28 1x50 h LEU 129 Ca -0.21 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.67 1x50 h LEU 129 Cb 1.31 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 1x50 h LEU 129 CO 1.14 0.00 0.45 0.72 -0.34 0.00 0.00 178.44 180.41 1x50 s PHE 130 N -1.84 -0.12 0.09 1.25 -0.12 -1.18 -3.79 117.98 112.27 1x50 s PHE 130 Ca -0.01 -0.23 0.08 0.00 -0.05 0.00 0.00 56.93 56.72 1x50 s PHE 130 Cb 0.00 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 1x50 s PHE 130 CO 0.02 -0.91 -0.15 -0.51 -0.05 0.00 0.00 175.22 173.62 1x50 s ASP 131 N -2.97 4.06 -0.32 1.98 1.01 -1.26 -1.62 116.67 117.55 1x50 s ASP 131 Ca 0.13 -0.46 -0.01 0.00 0.71 0.00 0.00 52.55 52.91 1x50 s ASP 131 Cb -0.02 -0.67 0.06 0.00 1.01 0.00 0.00 42.92 43.30 1x50 s ASP 131 CO 0.03 0.20 0.03 0.12 0.21 0.00 0.00 175.17 175.76 1x50 s PHE 132 N -1.12 3.34 0.19 4.23 5.36 -0.94 -4.95 117.98 124.10 1x50 s PHE 132 Ca 0.18 -2.04 -0.31 0.00 -0.96 0.00 0.00 56.93 53.80 1x50 s PHE 132 Cb -0.11 -2.32 -0.10 0.00 -0.34 0.00 0.00 43.02 40.15 1x50 s PHE 132 CO 0.10 -0.84 1.56 0.00 -1.46 0.00 0.00 175.22 174.58 1x50 s ALA 133 N 1.21 3.76 -0.56 11.12 0.00 -1.26 -2.29 121.76 133.74 1x50 s ALA 133 Ca -0.02 1.39 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 1x50 s ALA 133 Cb -0.20 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 1x50 s ALA 133 CO -0.02 -0.79 2.45 0.72 0.00 0.00 0.00 175.76 178.12 1x50 n HIS 134 N 3.61 1.31 -0.08 0.00 8.25 -1.26 -4.79 115.22 122.26 1x50 n HIS 134 Ca 0.13 0.16 -0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1x50 n HIS 134 Cb 0.38 -2.60 -0.11 0.00 1.12 0.00 0.00 29.99 28.79 1x50 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x50 h ARG 135 N 18.16 0.00 -5.17 -0.41 3.08 -1.89 -3.43 114.38 124.72 1x50 h ARG 135 Ca -0.22 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.16 1x50 h ARG 135 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.16 1x50 h ARG 135 CO 1.19 0.85 0.06 -1.17 -1.07 0.00 0.00 179.97 179.84 1x50 s LEU 136 N -8.13 4.72 0.53 3.04 2.96 -1.26 -4.92 118.68 115.62 1x50 s LEU 136 Ca -0.20 -0.62 0.30 0.00 -0.22 0.00 0.00 54.13 53.39 1x50 s LEU 136 Cb 0.01 -2.57 1.46 0.00 0.50 0.00 0.00 46.19 45.58 1x50 s LEU 136 CO 0.57 -0.82 1.90 0.77 -1.32 0.00 0.00 176.35 177.45 1x50 h SER 137 N 8.92 0.02 -0.28 3.68 4.64 -2.01 0.59 113.55 129.12 1x50 h SER 137 Ca -0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 1x50 h SER 137 Cb 1.10 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 1x50 h SER 137 CO 0.92 0.01 0.10 0.00 -0.87 0.00 0.00 176.83 176.98 1x50 n ALA 138 N -2.70 3.28 -0.31 5.18 0.00 -1.26 -4.48 120.51 120.21 1x50 n ALA 138 Ca 0.18 -0.85 0.15 0.00 0.00 0.00 0.00 53.44 52.92 1x50 n ALA 138 Cb 0.92 -1.10 0.32 0.00 0.00 0.00 0.00 19.45 19.59 1x50 n ALA 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x50 h PHE 139 N 1.00 0.28 -0.95 0.00 -0.00 -0.20 0.42 116.94 117.49 1x50 h PHE 139 Ca 0.10 0.05 0.29 0.00 -0.00 0.00 0.00 57.97 58.41 1x50 h PHE 139 Cb 1.32 0.03 -0.15 0.00 -0.00 0.00 0.00 35.95 37.14 1x50 h PHE 139 CO 0.48 -0.30 0.40 -0.56 -0.00 0.00 0.00 178.31 178.33 1x50 h GLN 140 N 0.13 0.24 -0.86 6.09 3.07 -1.79 0.47 115.11 122.47 1x50 h GLN 140 Ca 0.59 -0.01 0.15 0.00 0.09 0.00 0.00 58.65 59.47 1x50 h GLN 140 Cb 1.25 -0.05 -0.10 0.00 0.08 0.00 0.00 27.48 28.66 1x50 h GLN 140 CO -0.74 0.16 0.45 0.00 0.09 0.00 0.00 178.83 178.79 1x50 h ARG 141 N 0.25 0.61 -5.91 0.06 3.08 -0.48 -3.09 114.38 108.91 1x50 h ARG 141 Ca 0.65 -0.04 -0.68 0.00 0.07 0.00 0.00 59.98 59.99 1x50 h ARG 141 Cb 1.43 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 1x50 h ARG 141 CO -0.65 0.40 1.42 0.28 -1.07 0.00 0.00 179.97 180.36 1x50 n VAL 142 N -4.87 0.10 -1.55 2.04 0.31 0.16 -4.34 118.33 110.19 1x50 n VAL 142 Ca 0.17 -0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1x50 n VAL 142 Cb 0.45 -1.23 0.07 0.00 -0.91 0.00 0.00 33.84 32.22 1x50 n VAL 142 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x50 n ASP 143 N 9.37 1.21 -4.00 4.52 9.92 -1.18 -1.52 116.55 134.86 1x50 n ASP 143 Ca 0.47 -2.57 -0.19 0.00 -0.53 0.00 0.00 54.79 51.97 1x50 n ASP 143 Cb 0.14 -0.32 -0.15 0.00 -0.64 0.00 0.00 41.12 40.15 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x50 s THR 144 N -1.48 0.70 -0.14 -3.53 2.01 0.29 0.22 115.64 113.71 1x50 s THR 144 Ca 0.17 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1x50 s THR 144 Cb 0.15 -0.61 0.04 0.00 0.01 0.00 0.00 72.50 72.09 1x50 s THR 144 CO 0.01 0.21 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.91 1x50 s LEU 145 N -0.02 1.14 0.15 4.42 2.96 -0.09 -1.39 118.68 125.86 1x50 s LEU 145 Ca 0.00 -0.48 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1x50 s LEU 145 Cb -0.06 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 1x50 s LEU 145 CO -0.00 -0.21 -0.22 -1.83 -1.32 0.00 0.00 176.35 172.77 1x50 s GLU 146 N 1.80 1.59 -0.17 1.98 -1.05 -0.64 0.01 118.70 122.22 1x50 s GLU 146 Ca 0.02 -1.36 -0.04 0.00 -0.15 0.00 0.00 54.97 53.44 1x50 s GLU 146 Cb -0.14 -1.96 0.06 0.00 -0.44 0.00 0.00 34.13 31.65 1x50 s GLU 146 CO -0.07 0.44 0.08 0.42 0.95 0.00 0.00 175.26 177.07 1x50 s ILE 147 N -1.34 0.06 0.43 1.83 1.01 -0.05 -2.12 121.20 121.02 1x50 s ILE 147 Ca 0.18 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1x50 s ILE 147 Cb -0.09 -0.67 -0.06 0.00 0.01 0.00 0.00 42.46 41.64 1x50 s ILE 147 CO 0.09 -0.25 0.01 0.00 0.00 0.00 0.00 174.94 174.79 1x50 s GLN 148 N 2.07 2.01 0.00 2.79 0.00 -0.96 -1.01 119.66 124.57 1x50 s GLN 148 Ca 0.01 -2.18 0.00 0.00 -0.00 0.00 0.00 55.36 53.20 1x50 s GLN 148 Cb -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 33.01 31.25 1x50 s GLN 148 CO -0.09 -0.13 0.00 0.41 0.00 0.00 0.00 175.29 175.49 1x50 n GLY 149 N -1.03 0.23 3.09 2.60 0.00 -1.26 -0.90 105.19 107.92 1x50 n GLY 149 Ca -0.08 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1x50 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 150 N -4.00 5.20 -0.12 1.61 1.11 -0.86 -4.90 116.67 114.71 1x50 s ASP 150 Ca 0.00 -2.67 -0.14 0.00 0.18 0.00 0.00 52.55 49.92 1x50 s ASP 150 Cb 0.00 -1.84 0.04 0.00 1.07 0.00 0.00 42.92 42.19 1x50 s ASP 150 CO 0.00 -0.40 0.39 0.54 1.18 0.00 0.00 175.17 176.88 1x50 s VAL 151 N 0.21 0.01 -0.73 -1.27 0.11 -1.26 -3.88 120.40 113.59 1x50 s VAL 151 Ca 0.15 -0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 1x50 s VAL 151 Cb -0.21 -0.58 0.19 0.00 -1.53 0.00 0.00 36.38 34.25 1x50 s VAL 151 CO -0.03 -0.04 0.66 -0.89 -3.33 0.00 0.00 175.10 171.46 1x50 s THR 152 N -0.08 5.30 0.26 5.04 2.01 -0.55 -4.92 115.64 122.71 1x50 s THR 152 Ca -0.03 -2.25 -0.30 0.00 0.31 0.00 0.00 61.69 59.43 1x50 s THR 152 Cb -0.03 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 1x50 s THR 152 CO 0.01 -0.97 1.05 -0.76 -0.69 0.00 0.00 174.62 173.27 1x50 s LEU 153 N 0.54 4.58 0.00 4.42 1.43 -1.26 -0.00 118.68 128.38 1x50 s LEU 153 Ca 0.14 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1x50 s LEU 153 Cb -0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1x50 s LEU 153 CO -0.05 -0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.27 1x50 n SER 154 N 1.32 3.46 -3.71 2.29 7.64 -0.28 -4.04 113.62 120.31 1x50 n SER 154 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 1x50 n SER 154 Cb 0.45 0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.78 1x50 n SER 154 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1x50 s TYR 155 N -1.75 -0.53 -0.23 1.43 6.14 -0.39 -0.96 117.35 121.06 1x50 s TYR 155 Ca 0.00 1.16 -0.04 0.00 0.64 0.00 0.00 57.07 58.83 1x50 s TYR 155 Cb 0.00 0.21 0.08 0.00 0.42 0.00 0.00 41.96 42.67 1x50 s TYR 155 CO 0.00 -0.31 0.10 0.08 0.64 0.00 0.00 175.55 176.06 1x50 s VAL 156 N 1.26 0.04 -0.20 3.14 1.01 -1.25 -1.05 120.40 123.35 1x50 s VAL 156 Ca -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1x50 s VAL 156 Cb -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1x50 s VAL 156 CO -0.11 -0.48 -0.09 -1.58 0.00 0.00 0.00 175.10 172.85 1x50 s GLN 157 N 2.06 3.28 -0.90 2.72 0.74 -1.21 -2.71 119.66 123.65 1x50 s GLN 157 Ca 0.05 -0.68 -0.16 0.00 0.05 0.00 0.00 55.36 54.62 1x50 s GLN 157 Cb -0.16 -2.87 0.18 0.00 1.10 0.00 0.00 33.01 31.26 1x50 s GLN 157 CO -0.21 -0.17 0.96 0.42 -0.55 0.00 0.00 175.29 175.73 1x50 s ILE 158 N 1.35 5.24 0.28 -2.34 1.01 -1.26 -3.09 121.20 122.39 1x50 s ILE 158 Ca 0.04 -2.14 -0.29 0.00 0.00 0.00 0.00 60.65 58.26 1x50 s ILE 158 Cb -0.14 -4.62 -0.10 0.00 0.01 0.00 0.00 42.46 37.61 1x50 s ILE 158 CO -0.05 -1.26 1.18 -0.55 0.00 0.00 0.00 174.94 174.26 1x50 s SER 159 N 2.76 7.10 0.00 3.58 0.15 -0.87 -4.97 113.70 121.45 1x50 s SER 159 Ca 0.25 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.30 1x50 s SER 159 Cb -0.08 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1x50 s SER 159 CO -0.09 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1x50 n GLY 160 N 1.22 3.54 3.71 9.45 0.00 -1.26 -1.66 105.19 120.19 1x50 n GLY 160 Ca -0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1x50 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x50 s PRO 161 N -2.18 4.33 -0.27 1.61 0.04 -1.26 -5.01 135.00 132.26 1x50 s PRO 161 Ca 0.00 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1x50 s PRO 161 Cb 0.00 -3.27 0.09 0.00 0.04 0.00 0.00 34.50 31.36 1x50 s PRO 161 CO 0.00 -0.42 0.07 -1.54 0.04 0.00 0.00 177.00 175.15 1x50 s SER 162 N 1.11 3.69 0.34 6.66 1.04 -1.26 -4.79 113.70 120.49 1x50 s SER 162 Ca 0.64 -1.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.53 1x50 s SER 162 Cb -0.36 -0.80 0.04 0.00 0.10 0.00 0.00 66.02 65.00 1x50 s SER 162 CO 0.30 -0.37 0.77 -0.94 0.98 0.00 0.00 173.24 173.98 1x50 s SER 163 N 1.68 -0.10 0.00 7.02 1.04 -1.26 -5.15 113.70 116.93 1x50 s SER 163 Ca 0.05 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1x50 s SER 163 Cb -0.17 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1x50 s SER 163 CO -0.19 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.09