#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x50 h SER 2 N 0.00 -1.83 -4.59 1.61 0.02 -2.12 -3.43 113.55 103.21 1x50 h SER 2 Ca 0.00 0.24 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1x50 h SER 2 Cb 0.00 0.74 -0.23 0.00 0.14 0.00 0.00 62.40 63.06 1x50 h SER 2 CO 0.00 -0.42 -0.53 -0.55 -1.14 0.00 0.00 176.83 174.19 1x50 s SER 3 N -5.02 -0.01 -0.03 3.07 0.15 -1.26 -5.04 113.70 105.57 1x50 s SER 3 Ca -0.15 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.41 1x50 s SER 3 Cb 0.08 0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 64.53 1x50 s SER 3 CO 0.62 -0.26 2.60 0.61 1.20 0.00 0.00 173.24 178.00 1x50 n GLY 4 N 1.96 2.79 3.45 9.45 0.00 -1.26 -4.92 105.19 116.66 1x50 n GLY 4 Ca -0.20 -0.52 -0.56 0.00 0.00 0.00 0.00 46.02 44.74 1x50 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x50 n SER 5 N 1.79 1.71 -0.27 1.61 2.88 -1.26 -4.80 113.62 115.29 1x50 n SER 5 Ca 0.18 0.66 0.07 0.00 -1.33 0.00 0.00 58.87 58.45 1x50 n SER 5 Cb 0.65 -1.11 0.21 0.00 -0.75 0.00 0.00 64.21 63.21 1x50 n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x50 h SER 6 N 9.98 0.31 -6.32 -3.46 0.02 -2.08 -3.46 113.55 108.54 1x50 h SER 6 Ca -0.26 0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 60.34 1x50 h SER 6 Cb 1.35 0.09 0.02 0.00 0.14 0.00 0.00 62.40 64.00 1x50 h SER 6 CO 1.03 0.10 -0.89 0.61 -1.14 0.00 0.00 176.83 176.54 1x50 n GLY 7 N -1.33 -0.49 3.78 -3.77 0.00 -1.26 -4.94 105.19 97.19 1x50 n GLY 7 Ca 0.16 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1x50 n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x50 s HIS 8 N -3.74 3.77 -0.39 1.61 -0.00 -1.26 -5.05 115.29 110.23 1x50 s HIS 8 Ca 0.15 1.34 -0.07 0.00 -0.00 0.00 0.00 55.06 56.49 1x50 s HIS 8 Cb -0.05 -2.63 0.07 0.00 -0.00 0.00 0.00 32.58 29.97 1x50 s HIS 8 CO 0.86 0.44 0.19 -0.65 -0.00 0.00 0.00 174.74 175.59 1x50 s GLN 9 N -0.62 2.48 -0.88 -0.38 -1.52 -1.26 -5.02 119.66 112.45 1x50 s GLN 9 Ca 0.32 -1.46 -0.29 0.00 -1.95 0.00 0.00 55.36 51.98 1x50 s GLN 9 Cb -0.20 -3.62 -0.19 0.00 -0.22 0.00 0.00 33.01 28.78 1x50 s GLN 9 CO 0.20 -0.89 2.62 0.00 -0.25 0.00 0.00 175.29 176.98 1x50 n GLN 10 N 4.81 0.24 -3.92 2.91 10.64 -1.26 -4.86 117.38 125.94 1x50 n GLN 10 Ca -0.09 -0.01 -0.09 0.00 -1.83 0.00 0.00 57.00 54.98 1x50 n GLN 10 Cb 0.43 -1.96 -0.09 0.00 -0.86 0.00 0.00 30.24 27.76 1x50 n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1x50 s LEU 11 N 9.62 1.76 -0.13 2.61 1.43 -1.26 -5.07 118.68 127.64 1x50 s LEU 11 Ca 1.27 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1x50 s LEU 11 Cb -0.99 0.67 -0.26 0.00 0.03 0.00 0.00 46.19 45.64 1x50 s LEU 11 CO 0.44 -0.55 0.50 -0.55 0.23 0.00 0.00 176.35 176.41 1x50 h ASN 12 N 3.46 0.28 -1.48 2.29 7.08 -2.08 -3.47 115.58 121.66 1x50 h ASN 12 Ca -0.33 -0.81 -0.12 0.00 -3.08 0.00 0.00 56.30 51.97 1x50 h ASN 12 Cb 1.18 -0.09 0.07 0.00 -2.08 0.00 0.00 38.32 37.40 1x50 h ASN 12 CO 0.52 1.56 -0.06 -1.20 -2.08 0.00 0.00 177.43 176.17 1x50 n SER 13 N -4.05 -2.43 -4.52 6.14 7.64 -1.26 -5.03 113.62 110.11 1x50 n SER 13 Ca -0.25 -0.29 -0.25 0.00 1.01 0.00 0.00 58.87 59.09 1x50 n SER 13 Cb 0.83 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 1x50 n SER 13 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1x50 s LEU 14 N 0.00 2.77 1.13 -3.43 2.34 -1.26 -5.14 118.68 115.09 1x50 s LEU 14 Ca 0.22 -0.80 -0.16 0.00 0.06 0.00 0.00 54.13 53.44 1x50 s LEU 14 Cb -0.04 -1.38 0.25 0.00 -0.56 0.00 0.00 46.19 44.46 1x50 s LEU 14 CO 0.19 0.07 1.10 -2.16 -1.06 0.00 0.00 176.35 174.48 1x50 s PRO 15 N -3.19 -0.60 0.00 1.48 0.04 -1.26 -4.97 135.00 126.50 1x50 s PRO 15 Ca 0.27 0.16 0.25 0.00 0.04 0.00 0.00 61.00 61.72 1x50 s PRO 15 Cb -0.07 -1.65 0.46 0.00 0.04 0.00 0.00 34.50 33.28 1x50 s PRO 15 CO 0.15 -3.34 1.38 -2.37 0.04 0.00 0.00 177.00 172.85 1x50 n THR 16 N -4.54 0.00 -3.30 1.26 5.66 -1.26 -4.65 114.28 107.45 1x50 n THR 16 Ca 0.10 -0.09 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1x50 n THR 16 Cb 0.59 0.54 0.07 0.00 -1.55 0.00 0.00 70.33 69.97 1x50 n THR 16 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1x50 n MET 17 N -0.92 -6.03 -1.93 1.09 2.81 -1.26 -4.77 117.12 106.10 1x50 n MET 17 Ca 0.09 0.66 -0.30 0.00 -1.81 0.00 0.00 57.70 56.34 1x50 n MET 17 Cb 0.36 -5.19 0.02 0.00 -0.71 0.00 0.00 33.22 27.70 1x50 n MET 17 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1x50 s GLU 18 N -5.75 3.29 2.02 0.03 -1.05 -1.26 -4.85 118.70 111.13 1x50 s GLU 18 Ca 0.33 0.59 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 1x50 s GLU 18 Cb -0.14 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 1x50 s GLU 18 CO 0.58 -0.74 0.00 0.41 0.95 0.00 0.00 175.26 176.46 1x50 n GLY 19 N -2.82 0.74 3.67 -3.83 0.00 -1.26 -4.95 105.19 96.74 1x50 n GLY 19 Ca 0.06 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 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 0.30 0.44 1.61 0.04 -1.26 -5.06 135.00 131.07 1x50 s PRO 20 Ca 0.00 0.48 -0.07 0.00 0.04 0.00 0.00 61.00 61.44 1x50 s PRO 20 Cb 0.00 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.92 1x50 s PRO 20 CO 0.00 -2.81 0.39 -0.35 0.04 0.00 0.00 177.00 174.27 1x50 n PRO 21 N -4.22 -1.79 -3.78 0.56 -0.04 -1.26 -5.04 135.00 119.42 1x50 n PRO 21 Ca 0.05 -0.62 -0.37 0.00 -0.04 0.00 0.00 63.50 62.52 1x50 n PRO 21 Cb 0.57 -0.59 -0.06 0.00 -0.04 0.00 0.00 33.50 33.39 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 -1.71 5.38 -0.04 0.52 2.01 -1.18 -5.03 115.64 115.58 1x50 s THR 22 Ca 0.25 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.59 1x50 s THR 22 Cb -0.03 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 69.02 1x50 s THR 22 CO 0.19 0.57 0.01 -0.36 -0.69 0.00 0.00 174.62 174.35 1x50 s PHE 23 N -1.08 0.37 -1.32 4.92 0.40 -1.26 -3.38 117.98 116.63 1x50 s PHE 23 Ca 0.19 -0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 1x50 s PHE 23 Cb -0.13 -0.53 -0.00 0.00 0.51 0.00 0.00 43.02 42.87 1x50 s PHE 23 CO 0.08 -0.19 0.62 -1.71 0.70 0.00 0.00 175.22 174.72 1x50 n ASN 24 N 4.60 -1.20 -4.77 1.36 2.85 -0.35 -4.91 115.26 112.85 1x50 n ASN 24 Ca -0.17 -0.88 -0.40 0.00 -0.11 0.00 0.00 54.58 53.01 1x50 n ASN 24 Cb 0.50 -3.74 -0.03 0.00 1.24 0.00 0.00 39.78 37.75 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x50 s PRO 25 N -6.12 4.43 1.06 1.20 0.04 -1.26 -5.00 135.00 129.35 1x50 s PRO 25 Ca 0.03 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 1x50 s PRO 25 Cb -0.01 -3.08 0.26 0.00 0.04 0.00 0.00 34.50 31.72 1x50 s PRO 25 CO 0.84 -0.06 0.94 -0.35 0.04 0.00 0.00 177.00 178.40 1x50 n PRO 26 N 0.87 -2.86 -3.84 0.56 -0.04 -1.26 -4.49 135.00 123.93 1x50 n PRO 26 Ca -0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 63.50 61.84 1x50 n PRO 26 Cb 0.43 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1x50 n PRO 26 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x50 s VAL 27 N -2.69 -0.01 0.42 0.52 1.01 -1.26 -2.97 120.40 115.41 1x50 s VAL 27 Ca 0.61 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 1x50 s VAL 27 Cb -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 36.38 36.20 1x50 s VAL 27 CO 0.47 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.61 1x50 s PRO 28 N 0.27 3.95 -0.27 2.72 0.04 -1.26 -5.06 135.00 135.39 1x50 s PRO 28 Ca -0.02 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.03 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1x50 s PRO 28 CO -0.01 -0.42 0.28 -0.47 0.04 0.00 0.00 177.00 176.42 1x50 s TYR 29 N -1.44 3.25 -0.50 0.56 6.14 -0.35 -4.89 117.35 120.12 1x50 s TYR 29 Ca 0.59 0.28 -0.13 0.00 0.64 0.00 0.00 57.07 58.45 1x50 s TYR 29 Cb -0.31 -2.46 0.12 0.00 0.42 0.00 0.00 41.96 39.73 1x50 s TYR 29 CO 0.38 -0.16 0.41 -0.06 0.64 0.00 0.00 175.55 176.76 1x50 s PHE 30 N 1.81 3.32 -0.36 4.97 0.08 -1.26 -1.29 117.98 125.24 1x50 s PHE 30 Ca 0.11 -1.48 -0.09 0.00 0.12 0.00 0.00 56.93 55.59 1x50 s PHE 30 Cb -0.16 -3.55 0.04 0.00 -0.57 0.00 0.00 43.02 38.78 1x50 s PHE 30 CO 0.10 -0.97 0.17 0.20 -0.10 0.00 0.00 175.22 174.62 1x50 s GLY 31 N 3.02 1.90 -0.42 4.36 0.00 0.14 -4.96 107.32 111.36 1x50 s GLY 31 Ca 0.04 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.71 1x50 s GLY 31 CO 0.02 0.83 1.48 0.50 0.00 0.00 0.00 173.10 175.92 1x50 s ARG 32 N 1.48 3.49 -0.56 2.90 1.81 -1.26 -0.28 118.95 126.54 1x50 s ARG 32 Ca 0.01 0.95 -0.27 0.00 -1.72 0.00 0.00 55.73 54.70 1x50 s ARG 32 Cb -0.20 -4.07 -0.03 0.00 -0.45 0.00 0.00 34.95 30.21 1x50 s ARG 32 CO 0.05 -1.67 1.97 -0.51 -0.68 0.00 0.00 175.30 174.46 1x50 s LEU 33 N 5.78 3.34 -0.65 2.53 1.43 -0.52 -4.85 118.68 125.74 1x50 s LEU 33 Ca 0.63 0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 54.06 1x50 s LEU 33 Cb -0.14 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 1x50 s LEU 33 CO 0.32 -2.42 1.65 -1.10 0.23 0.00 0.00 176.35 175.04 1x50 s GLN 34 N 7.16 2.85 0.00 1.70 -0.21 -1.26 -3.02 119.66 126.87 1x50 s GLN 34 Ca 0.75 0.34 0.00 0.00 0.02 0.00 0.00 55.36 56.47 1x50 s GLN 34 Cb -0.15 -4.31 0.00 0.00 1.00 0.00 0.00 33.01 29.56 1x50 s GLN 34 CO 0.23 -2.50 0.00 0.41 -2.12 0.00 0.00 175.29 171.31 1x50 n GLY 35 N 5.57 4.17 0.00 3.09 0.00 -1.26 -5.05 105.19 111.72 1x50 n GLY 35 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.24 3.54 -0.02 0.00 -1.17 -4.79 105.19 102.51 1x50 n GLY 36 Ca 0.00 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.05 1.78 -4.41 0.99 4.77 -1.01 -4.91 117.00 113.15 1x50 n LEU 37 Ca 0.00 -0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 55.23 1x50 n LEU 37 Cb 0.00 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 39.52 1x50 n LEU 37 CO 0.00 -1.48 -0.53 0.42 -1.33 0.00 0.00 177.39 174.47 1x50 s THR 38 N 11.54 2.51 0.48 -5.08 -4.23 -1.26 -3.87 115.64 115.74 1x50 s THR 38 Ca 1.06 -1.36 0.37 0.00 -1.18 0.00 0.00 61.69 60.59 1x50 s THR 38 Cb -0.41 -2.05 0.57 0.00 1.34 0.00 0.00 72.50 71.95 1x50 s THR 38 CO 0.30 0.29 1.62 0.00 -0.54 0.00 0.00 174.62 176.29 1x50 h ALA 39 N 4.46 3.12 -0.99 3.99 0.00 -1.72 1.13 119.26 129.26 1x50 h ALA 39 Ca -0.48 0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 1x50 h ALA 39 Cb 1.15 0.19 -0.30 0.00 0.00 0.00 0.00 17.79 18.83 1x50 h ALA 39 CO 0.45 -1.72 0.75 0.54 0.00 0.00 0.00 179.25 179.27 1x50 n ARG 40 N -4.43 2.78 -5.11 0.00 5.12 -1.26 -4.52 116.66 109.25 1x50 n ARG 40 Ca 0.39 -3.41 -0.29 0.00 -1.93 0.00 0.00 57.85 52.61 1x50 n ARG 40 Cb 1.61 -2.29 -0.16 0.00 -1.16 0.00 0.00 32.46 30.47 1x50 n ARG 40 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1x50 s ARG 41 N -3.84 1.94 -0.04 5.56 3.52 0.39 -4.71 118.95 121.77 1x50 s ARG 41 Ca 0.62 -0.80 -0.02 0.00 -0.13 0.00 0.00 55.73 55.40 1x50 s ARG 41 Cb 0.49 -1.80 0.03 0.00 -1.56 0.00 0.00 34.95 32.11 1x50 s ARG 41 CO -0.07 0.44 0.05 0.99 -0.81 0.00 0.00 175.30 175.90 1x50 s THR 42 N -0.39 -0.06 -0.05 4.11 2.01 -1.22 -1.59 115.64 118.45 1x50 s THR 42 Ca 0.05 0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.29 1x50 s THR 42 Cb -0.10 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 1x50 s THR 42 CO 0.00 0.19 0.41 -0.63 -0.69 0.00 0.00 174.62 173.90 1x50 s ILE 43 N 2.11 5.10 -0.03 1.82 1.09 0.99 -1.51 121.20 130.78 1x50 s ILE 43 Ca 0.05 0.83 0.04 0.00 -1.10 0.00 0.00 60.65 60.46 1x50 s ILE 43 Cb -0.12 -3.73 -0.00 0.00 -1.06 0.00 0.00 42.46 37.55 1x50 s ILE 43 CO -0.03 0.50 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.53 1x50 s ILE 44 N -0.49 1.18 -0.21 2.92 1.01 -1.22 0.65 121.20 125.03 1x50 s ILE 44 Ca 0.23 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1x50 s ILE 44 Cb -0.16 -1.01 0.07 0.00 0.01 0.00 0.00 42.46 41.37 1x50 s ILE 44 CO 0.11 0.34 0.07 -0.63 0.00 0.00 0.00 174.94 174.84 1x50 s ILE 45 N -0.05 0.26 -0.34 2.92 1.01 0.11 -3.66 121.20 121.45 1x50 s ILE 45 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1x50 s ILE 45 Cb -0.09 -0.93 0.05 0.00 0.01 0.00 0.00 42.46 41.50 1x50 s ILE 45 CO 0.01 -0.36 0.11 -0.54 0.00 0.00 0.00 174.94 174.15 1x50 s LYS 46 N 1.97 2.53 0.00 2.79 1.02 -0.36 -1.61 119.74 126.07 1x50 s LYS 46 Ca 0.03 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1x50 s LYS 46 Cb -0.17 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1x50 s LYS 46 CO -0.14 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 173.98 1x50 n GLY 47 N 4.76 5.68 3.64 -3.33 0.00 -1.24 -0.56 105.19 114.15 1x50 n GLY 47 Ca -0.12 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 2.08 -0.38 -0.32 1.61 6.14 0.25 -3.68 117.35 123.05 1x50 s TYR 48 Ca 0.00 0.86 -0.23 0.00 0.64 0.00 0.00 57.07 58.34 1x50 s TYR 48 Cb 0.00 0.36 0.00 0.00 0.42 0.00 0.00 41.96 42.74 1x50 s TYR 48 CO 0.00 -0.18 0.79 0.08 0.64 0.00 0.00 175.55 176.88 1x50 s VAL 49 N 0.53 4.77 0.75 3.14 1.01 -1.08 -0.38 120.40 129.13 1x50 s VAL 49 Ca 0.00 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 1x50 s VAL 49 Cb -0.04 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1x50 s VAL 49 CO -0.11 -0.31 1.10 -2.16 0.00 0.00 0.00 175.10 173.62 1x50 s PRO 50 N 3.01 2.36 0.27 2.72 0.04 -1.26 -1.56 135.00 140.59 1x50 s PRO 50 Ca 0.32 1.22 0.24 0.00 0.04 0.00 0.00 61.00 62.82 1x50 s PRO 50 Cb -0.14 -1.91 1.00 0.00 0.04 0.00 0.00 34.50 33.50 1x50 s PRO 50 CO 0.14 -1.57 1.72 -0.35 0.04 0.00 0.00 177.00 176.98 1x50 n PRO 51 N -3.30 0.20 -0.33 0.56 -0.04 -1.26 -2.32 135.00 128.51 1x50 n PRO 51 Ca 0.09 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 64.08 1x50 n PRO 51 Cb 0.53 -1.89 0.22 0.00 -0.04 0.00 0.00 33.50 32.32 1x50 n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x50 n THR 52 N -2.28 2.17 -3.88 0.52 -2.24 -1.26 -4.95 114.28 102.36 1x50 n THR 52 Ca 0.02 -2.02 -0.35 0.00 -2.27 0.00 0.00 64.05 59.43 1x50 n THR 52 Cb 0.23 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.25 1.71 0.07 3.38 0.00 -0.98 -5.00 107.32 104.25 1x50 s GLY 53 Ca 0.39 -1.55 -0.36 0.00 0.00 0.00 0.00 44.72 43.20 1x50 s GLY 53 CO 0.07 0.61 1.59 0.50 0.00 0.00 0.00 173.10 175.87 1x50 h LYS 54 N 8.08 -1.11 -1.58 2.90 1.57 -1.87 -3.44 116.57 121.11 1x50 h LYS 54 Ca -0.29 0.08 0.25 0.00 -1.87 0.00 0.00 60.65 58.82 1x50 h LYS 54 Cb 1.10 0.25 -0.17 0.00 0.08 0.00 0.00 32.23 33.49 1x50 h LYS 54 CO 0.57 -0.74 0.77 -1.54 -0.57 0.00 0.00 179.45 177.95 1x50 s SER 55 N -4.20 -0.14 0.19 0.86 1.04 -1.26 -4.33 113.70 105.86 1x50 s SER 55 Ca -0.19 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1x50 s SER 55 Cb 0.03 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1x50 s SER 55 CO 0.61 -0.31 0.01 2.22 0.98 0.00 0.00 173.24 176.75 1x50 n PHE 56 N -0.20 0.34 -3.67 5.02 -1.74 -1.25 -1.29 117.46 114.67 1x50 n PHE 56 Ca -0.03 -0.93 -0.12 0.00 -0.56 0.00 0.00 57.45 55.82 1x50 n PHE 56 Cb 0.60 -0.13 -0.08 0.00 1.52 0.00 0.00 39.48 41.38 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 -2.32 -1.48 -0.36 1.98 0.00 -0.28 -3.70 121.76 115.59 1x50 s ALA 57 Ca 0.01 1.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 1x50 s ALA 57 Cb -0.00 -1.04 0.08 0.00 0.00 0.00 0.00 23.12 22.17 1x50 s ALA 57 CO 0.00 -0.29 0.11 0.42 0.00 0.00 0.00 175.76 176.00 1x50 s ILE 58 N 0.63 3.10 -0.07 0.00 1.09 0.87 -2.03 121.20 124.80 1x50 s ILE 58 Ca -0.03 -1.79 -0.08 0.00 -1.10 0.00 0.00 60.65 57.66 1x50 s ILE 58 Cb -0.05 -2.99 -0.04 0.00 -1.06 0.00 0.00 42.46 38.32 1x50 s ILE 58 CO -0.04 -0.44 0.21 0.20 -0.10 0.00 0.00 174.94 174.77 1x50 s ASN 59 N 1.50 6.47 -0.44 3.58 0.02 -0.93 -2.00 114.94 123.15 1x50 s ASN 59 Ca 0.03 0.55 0.00 0.00 -1.02 0.00 0.00 52.86 52.42 1x50 s ASN 59 Cb -0.21 -2.10 0.12 0.00 0.02 0.00 0.00 41.25 39.08 1x50 s ASN 59 CO -0.03 0.35 0.21 -0.36 0.02 0.00 0.00 177.10 177.29 1x50 s PHE 60 N -1.11 3.56 0.47 2.20 0.40 0.08 -1.48 117.98 122.09 1x50 s PHE 60 Ca 0.20 -2.74 0.04 0.00 -0.60 0.00 0.00 56.93 53.83 1x50 s PHE 60 Cb -0.13 -3.09 0.01 0.00 0.51 0.00 0.00 43.02 40.33 1x50 s PHE 60 CO 0.09 -0.92 0.66 0.21 0.70 0.00 0.00 175.22 175.96 1x50 s LYS 61 N 0.69 2.79 -0.24 0.44 2.20 0.78 -0.98 119.74 125.41 1x50 s LYS 61 Ca 0.12 -0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 54.73 1x50 s LYS 61 Cb -0.22 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1x50 s LYS 61 CO -0.05 -0.41 0.17 0.08 -0.36 0.00 0.00 175.35 174.79 1x50 s VAL 62 N -2.53 5.35 0.46 4.02 1.01 -0.66 -0.97 120.40 127.08 1x50 s VAL 62 Ca 0.53 0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.85 1x50 s VAL 62 Cb -0.10 -3.51 0.21 0.00 0.00 0.00 0.00 36.38 32.98 1x50 s VAL 62 CO 0.36 0.33 2.04 1.23 0.00 0.00 0.00 175.10 179.06 1x50 h GLY 63 N 7.64 0.06 0.00 4.51 0.00 -1.76 -1.32 103.07 112.20 1x50 h GLY 63 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1x50 h GLY 63 CO 0.64 0.03 0.00 -1.26 0.00 0.00 0.00 176.54 175.95 1x50 n SER 64 N -4.40 0.00 0.00 0.19 2.88 -1.26 -4.73 113.62 106.30 1x50 n SER 64 Ca -0.02 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1x50 n SER 64 Cb 0.18 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1x50 n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x50 n SER 65 N -1.76 0.00 0.00 -3.46 2.88 -1.24 -5.05 113.62 105.00 1x50 n SER 65 Ca 0.00 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x50 n SER 65 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 1.96 0.39 3.49 0.46 0.00 -0.50 -4.96 105.19 106.04 1x50 n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.56 4.08 -0.24 1.61 1.01 -1.26 -4.69 116.67 116.61 1x50 s ASP 67 Ca 0.00 -0.23 -0.23 0.00 0.71 0.00 0.00 52.55 52.80 1x50 s ASP 67 Cb 0.00 -0.84 -0.01 0.00 1.01 0.00 0.00 42.92 43.08 1x50 s ASP 67 CO 0.00 0.32 0.76 -0.63 0.21 0.00 0.00 175.17 175.83 1x50 s ILE 68 N -0.82 4.89 -0.10 0.77 1.01 0.15 -1.66 121.20 125.45 1x50 s ILE 68 Ca 0.13 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.17 1x50 s ILE 68 Cb -0.11 -4.05 -0.26 0.00 0.01 0.00 0.00 42.46 38.06 1x50 s ILE 68 CO 0.03 -0.03 0.45 0.00 0.00 0.00 0.00 174.94 175.38 1x50 n ALA 69 N 5.86 1.02 -3.44 9.38 0.00 -0.15 -1.99 120.51 131.19 1x50 n ALA 69 Ca 0.03 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.71 1x50 n ALA 69 Cb 0.48 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 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 -6.82 1.42 -0.37 0.00 2.96 -1.25 -4.53 118.68 110.08 1x50 s LEU 70 Ca -0.18 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1x50 s LEU 70 Cb 0.07 -0.10 0.13 0.00 0.50 0.00 0.00 46.19 46.79 1x50 s LEU 70 CO 0.79 -0.07 0.19 -2.28 -1.32 0.00 0.00 176.35 173.65 1x50 s HIS 71 N 0.68 1.36 -0.06 5.38 5.65 0.71 -0.74 115.29 128.26 1x50 s HIS 71 Ca -0.06 -1.88 -0.15 0.00 0.25 0.00 0.00 55.06 53.21 1x50 s HIS 71 Cb -0.09 -1.44 -0.05 0.00 -1.18 0.00 0.00 32.58 29.82 1x50 s HIS 71 CO -0.02 -0.82 0.40 0.42 -0.65 0.00 0.00 174.74 174.07 1x50 s ILE 72 N 1.00 5.13 -0.21 0.89 1.01 -0.85 -0.44 121.20 127.73 1x50 s ILE 72 Ca 0.15 0.81 -0.04 0.00 0.00 0.00 0.00 60.65 61.57 1x50 s ILE 72 Cb -0.22 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.61 1x50 s ILE 72 CO -0.08 0.48 0.12 0.21 0.00 0.00 0.00 174.94 175.68 1x50 s ASN 73 N -0.36 2.50 0.65 3.58 3.04 0.42 -0.09 114.94 124.68 1x50 s ASN 73 Ca 0.23 -0.74 -0.15 0.00 0.04 0.00 0.00 52.86 52.24 1x50 s ASN 73 Cb -0.16 -0.16 -0.00 0.00 -1.54 0.00 0.00 41.25 39.39 1x50 s ASN 73 CO 0.11 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.75 1x50 s PRO 74 N 2.16 2.84 -0.33 0.43 0.04 -1.24 -1.01 135.00 137.89 1x50 s PRO 74 Ca 0.05 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 1x50 s PRO 74 Cb -0.16 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1x50 s PRO 74 CO -0.17 -1.22 0.12 1.03 0.04 0.00 0.00 177.00 176.79 1x50 s ARG 75 N -4.05 0.79 0.18 4.56 0.52 -1.24 -4.44 118.95 115.28 1x50 s ARG 75 Ca 0.67 -1.21 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 1x50 s ARG 75 Cb -0.21 -2.03 0.12 0.00 0.52 0.00 0.00 34.95 33.35 1x50 s ARG 75 CO 0.41 -1.01 1.82 0.52 0.02 0.00 0.00 175.30 177.05 1x50 h MET 76 N 7.88 0.66 0.00 3.54 2.86 -1.82 0.23 114.93 128.28 1x50 h MET 76 Ca -0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1x50 h MET 76 Cb 1.00 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1x50 h MET 76 CO 0.47 0.43 0.00 0.41 1.06 0.00 0.00 176.91 179.28 1x50 n GLY 77 N -1.25 -1.61 0.31 8.32 0.00 -1.26 -4.08 105.19 105.62 1x50 n GLY 77 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1x50 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1x50 h ASN 78 N 0.00 -0.48 -0.14 1.61 -1.24 -2.01 -3.45 115.58 109.87 1x50 h ASN 78 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1x50 h ASN 78 Cb 0.00 0.43 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1x50 h ASN 78 CO 0.00 -0.26 0.00 0.61 -1.29 0.00 0.00 177.43 176.49 1x50 n GLY 79 N -1.48 1.13 2.70 1.57 0.00 0.07 -5.10 105.19 104.08 1x50 n GLY 79 Ca 0.17 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.14 0.10 -0.49 2.61 -4.23 -1.22 -4.83 115.64 105.45 1x50 s THR 80 Ca 0.00 0.18 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 1x50 s THR 80 Cb 0.00 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.47 1x50 s THR 80 CO 0.00 0.12 0.98 -0.69 -0.54 0.00 0.00 174.62 174.49 1x50 s VAL 81 N 2.08 4.38 0.37 2.29 1.01 -1.26 -3.66 120.40 125.61 1x50 s VAL 81 Ca 0.04 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 62.54 1x50 s VAL 81 Cb -0.13 -4.50 -0.10 0.00 0.00 0.00 0.00 36.38 31.65 1x50 s VAL 81 CO -0.05 -0.95 0.99 -0.69 0.00 0.00 0.00 175.10 174.40 1x50 s VAL 82 N 4.00 4.05 -0.06 2.92 1.01 -0.18 -4.27 120.40 127.87 1x50 s VAL 82 Ca 0.38 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.94 1x50 s VAL 82 Cb -0.10 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1x50 s VAL 82 CO 0.26 0.00 -0.11 -0.13 0.00 0.00 0.00 175.10 175.13 1x50 s ARG 83 N -2.44 1.53 0.32 2.72 3.00 -0.54 -0.44 118.95 123.10 1x50 s ARG 83 Ca 0.55 -0.35 0.05 0.00 0.00 0.00 0.00 55.73 55.98 1x50 s ARG 83 Cb -0.18 -1.30 -0.02 0.00 0.00 0.00 0.00 34.95 33.44 1x50 s ARG 83 CO 0.23 -0.00 0.31 -0.80 0.00 0.00 0.00 175.30 175.04 1x50 s ASN 84 N 0.74 1.42 -0.30 0.23 -0.87 0.41 -0.29 114.94 116.28 1x50 s ASN 84 Ca -0.13 -1.68 0.02 0.00 -1.57 0.00 0.00 52.86 49.49 1x50 s ASN 84 Cb -0.15 0.57 0.19 0.00 -0.02 0.00 0.00 41.25 41.84 1x50 s ASN 84 CO 0.03 -1.09 0.62 -0.94 -2.57 0.00 0.00 177.10 173.14 1x50 s SER 85 N -3.33 -1.45 -0.23 -1.22 1.04 -1.26 0.25 113.70 107.50 1x50 s SER 85 Ca 0.39 0.51 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 1x50 s SER 85 Cb 0.02 2.06 0.00 0.00 0.10 0.00 0.00 66.02 68.20 1x50 s SER 85 CO 0.25 -0.27 1.16 -0.22 0.98 0.00 0.00 173.24 175.14 1x50 s LEU 86 N 2.85 4.07 0.36 2.42 2.96 -0.84 -0.01 118.68 130.49 1x50 s LEU 86 Ca 0.15 1.42 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 1x50 s LEU 86 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1x50 s LEU 86 CO -0.23 -0.79 0.54 -0.76 -1.32 0.00 0.00 176.35 173.79 1x50 s LEU 87 N 3.53 3.95 -0.89 -0.68 1.43 0.72 0.30 118.68 127.03 1x50 s LEU 87 Ca 0.50 0.23 -0.33 0.00 -1.03 0.00 0.00 54.13 53.50 1x50 s LEU 87 Cb -0.17 -3.10 -0.21 0.00 0.03 0.00 0.00 46.19 42.74 1x50 s LEU 87 CO 0.13 -0.40 2.59 0.59 0.23 0.00 0.00 176.35 179.48 1x50 n ASN 88 N -1.79 0.46 0.00 2.29 3.02 -1.26 0.21 115.26 118.18 1x50 n ASN 88 Ca -0.03 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1x50 n ASN 88 Cb 0.57 -0.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 89 N 6.66 0.54 3.58 7.41 0.00 -1.26 -4.91 105.19 117.21 1x50 n GLY 89 Ca 0.63 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.42 3.33 0.19 1.61 0.15 0.56 -5.17 113.70 111.95 1x50 s SER 90 Ca 0.00 -1.47 0.06 0.00 0.70 0.00 0.00 55.95 55.24 1x50 s SER 90 Cb 0.00 -0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1x50 s SER 90 CO 0.00 -0.64 -0.11 0.26 1.20 0.00 0.00 173.24 173.96 1x50 s TRP 91 N -2.99 1.53 0.00 3.44 0.52 -1.26 0.26 118.94 120.44 1x50 s TRP 91 Ca 0.28 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.71 1x50 s TRP 91 Cb 0.07 -0.77 0.00 0.00 -1.15 0.00 0.00 33.47 31.62 1x50 s TRP 91 CO 0.14 0.20 0.00 0.41 0.02 0.00 0.00 176.95 177.72 1x50 n GLY 92 N -0.32 0.88 3.82 0.98 0.00 0.98 -4.70 105.19 106.83 1x50 n GLY 92 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.10 -0.26 1.61 0.01 -1.26 -4.95 113.70 107.75 1x50 s SER 93 Ca 0.00 -0.77 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 1x50 s SER 93 Cb 0.00 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.86 1x50 s SER 93 CO 0.00 -1.30 0.20 -1.61 0.41 0.00 0.00 173.24 170.94 1x50 s GLU 94 N -2.88 4.00 -0.26 12.44 2.02 -1.25 -3.80 118.70 128.98 1x50 s GLU 94 Ca 0.15 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.90 1x50 s GLU 94 Cb -0.04 -3.62 0.06 0.00 0.10 0.00 0.00 34.13 30.63 1x50 s GLU 94 CO 0.07 -0.11 -0.09 -1.21 0.02 0.00 0.00 175.26 173.94 1x50 s GLU 95 N 1.55 2.10 -0.22 1.61 0.41 0.60 -4.89 118.70 119.86 1x50 s GLU 95 Ca 0.08 -1.31 -0.02 0.00 -0.41 0.00 0.00 54.97 53.31 1x50 s GLU 95 Cb -0.15 -2.85 0.02 0.00 -1.78 0.00 0.00 34.13 29.36 1x50 s GLU 95 CO 0.09 -0.59 -0.09 0.15 -0.49 0.00 0.00 175.26 174.33 1x50 s LYS 96 N 1.14 3.02 -0.30 1.61 1.02 -1.26 -1.47 119.74 123.49 1x50 s LYS 96 Ca -0.08 -0.85 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 1x50 s LYS 96 Cb -0.20 -2.89 0.18 0.00 -0.52 0.00 0.00 37.83 34.41 1x50 s LYS 96 CO -0.05 -0.30 0.88 0.21 -0.92 0.00 0.00 175.35 175.16 1x50 s LYS 97 N 1.36 0.32 -0.02 1.68 2.47 -1.26 -5.05 119.74 119.24 1x50 s LYS 97 Ca 0.03 0.50 -0.06 0.00 -1.56 0.00 0.00 55.97 54.88 1x50 s LYS 97 Cb -0.15 0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.49 1x50 s LYS 97 CO -0.06 -0.42 0.14 -1.50 0.16 0.00 0.00 175.35 173.66 1x50 s ILE 98 N 2.92 0.05 -0.01 5.43 2.07 -1.26 -4.67 121.20 125.73 1x50 s ILE 98 Ca 0.11 -0.43 -0.09 0.00 -1.41 0.00 0.00 60.65 58.82 1x50 s ILE 98 Cb -0.10 -0.35 -0.31 0.00 0.13 0.00 0.00 42.46 41.84 1x50 s ILE 98 CO -0.17 -0.24 0.82 0.00 -1.91 0.00 0.00 174.94 173.44 1x50 h THR 99 N 4.53 1.10 -2.51 4.00 1.03 -1.84 -3.47 112.91 115.75 1x50 h THR 99 Ca -0.29 -2.67 -0.09 0.00 -0.01 0.00 0.00 66.41 63.36 1x50 h THR 99 Cb 1.20 2.83 -0.24 0.00 -1.07 0.00 0.00 68.15 70.86 1x50 h THR 99 CO 0.41 0.84 -0.18 -1.38 -0.01 0.00 0.00 175.52 175.19 1x50 s HIS 100 N -2.60 -0.65 -0.54 0.00 -3.43 -1.26 -5.12 115.29 101.70 1x50 s HIS 100 Ca -0.12 1.43 -0.08 0.00 -0.80 0.00 0.00 55.06 55.49 1x50 s HIS 100 Cb 0.06 0.29 0.14 0.00 -1.43 0.00 0.00 32.58 31.63 1x50 s HIS 100 CO 0.87 -0.34 0.40 1.21 -2.00 0.00 0.00 174.74 174.89 1x50 s ASN 101 N 0.95 5.69 0.21 7.38 3.84 -1.26 -4.90 114.94 126.85 1x50 s ASN 101 Ca -0.06 -2.21 -0.02 0.00 0.21 0.00 0.00 52.86 50.78 1x50 s ASN 101 Cb -0.06 -1.98 0.19 0.00 -0.55 0.00 0.00 41.25 38.85 1x50 s ASN 101 CO -0.08 -0.60 1.58 1.55 -2.79 0.00 0.00 177.10 176.76 1x50 h PRO 102 N 8.04 0.58 -6.00 0.43 0.13 -2.00 -3.44 132.00 129.74 1x50 h PRO 102 Ca -0.13 -0.30 -0.77 0.00 -0.87 0.00 0.00 66.00 63.93 1x50 h PRO 102 Cb 1.04 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1x50 h PRO 102 CO 0.80 0.89 1.31 1.19 -0.23 0.00 0.00 178.00 181.96 1x50 n PHE 103 N -4.02 1.19 -4.11 1.56 3.72 -1.26 -4.90 117.46 109.63 1x50 n PHE 103 Ca -0.02 0.77 -0.15 0.00 -0.05 0.00 0.00 57.45 57.99 1x50 n PHE 103 Cb 0.53 -2.29 -0.14 0.00 -0.94 0.00 0.00 39.48 36.63 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 5.96 0.22 -0.44 1.37 0.00 -1.26 -4.63 107.32 108.53 1x50 s GLY 104 Ca 1.19 -0.18 -0.28 0.00 0.00 0.00 0.00 44.72 45.45 1x50 s GLY 104 CO 0.66 -0.14 1.76 2.56 0.00 0.00 0.00 173.10 177.94 1x50 s PRO 105 N -0.08 3.12 0.00 2.90 0.04 -1.26 -2.48 135.00 137.24 1x50 s PRO 105 Ca 0.01 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1x50 s PRO 105 Cb -0.02 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1x50 s PRO 105 CO -0.00 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.33 1x50 n GLY 106 N 5.47 1.35 3.35 0.56 0.00 -0.60 -4.77 105.19 110.55 1x50 n GLY 106 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 1.37 0.65 1.61 -2.07 -1.04 -4.99 119.66 115.19 1x50 s GLN 107 Ca 0.00 -1.69 -0.05 0.00 -1.82 0.00 0.00 55.36 51.81 1x50 s GLN 107 Cb 0.00 -0.72 0.05 0.00 -1.09 0.00 0.00 33.01 31.25 1x50 s GLN 107 CO 0.00 -0.06 0.94 -0.59 -1.32 0.00 0.00 175.29 174.25 1x50 s PHE 108 N -3.34 2.95 -0.21 9.60 -0.12 -1.26 -2.65 117.98 122.95 1x50 s PHE 108 Ca 0.28 0.36 -0.09 0.00 -0.05 0.00 0.00 56.93 57.43 1x50 s PHE 108 Cb 0.05 -3.02 0.08 0.00 -0.63 0.00 0.00 43.02 39.50 1x50 s PHE 108 CO 0.09 -1.20 0.47 -0.59 -0.05 0.00 0.00 175.22 173.94 1x50 s PHE 109 N -3.09 -0.81 -0.54 3.49 -0.71 -1.24 -4.84 117.98 110.23 1x50 s PHE 109 Ca 0.58 1.59 -0.19 0.00 -1.04 0.00 0.00 56.93 57.88 1x50 s PHE 109 Cb -0.11 0.38 0.08 0.00 -1.21 0.00 0.00 43.02 42.16 1x50 s PHE 109 CO 0.43 -0.46 0.66 0.34 -1.34 0.00 0.00 175.22 174.85 1x50 s ASP 110 N 2.09 6.21 -0.14 1.98 2.15 -1.26 -3.65 116.67 124.05 1x50 s ASP 110 Ca -0.06 -1.11 -0.07 0.00 0.43 0.00 0.00 52.55 51.75 1x50 s ASP 110 Cb -0.10 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 1x50 s ASP 110 CO -0.14 -0.98 0.11 -0.22 -0.17 0.00 0.00 175.17 173.76 1x50 s LEU 111 N 2.67 4.15 -0.18 -1.34 1.98 -0.64 -1.88 118.68 123.44 1x50 s LEU 111 Ca 0.14 0.32 -0.04 0.00 -2.89 0.00 0.00 54.13 51.66 1x50 s LEU 111 Cb -0.21 -2.02 0.08 0.00 0.66 0.00 0.00 46.19 44.70 1x50 s LEU 111 CO 0.10 0.33 0.19 -0.44 -1.89 0.00 0.00 176.35 174.64 1x50 s SER 112 N -0.56 1.45 0.03 3.68 0.01 -0.63 0.07 113.70 117.75 1x50 s SER 112 Ca 0.12 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.04 1x50 s SER 112 Cb -0.12 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.32 1x50 s SER 112 CO 0.02 -0.32 0.41 -0.63 0.41 0.00 0.00 173.24 173.13 1x50 s ILE 113 N 2.29 5.05 -0.02 1.44 1.09 0.21 -0.63 121.20 130.62 1x50 s ILE 113 Ca 0.05 0.71 0.03 0.00 -1.10 0.00 0.00 60.65 60.35 1x50 s ILE 113 Cb -0.15 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 1x50 s ILE 113 CO -0.11 0.48 -0.11 -0.13 -0.10 0.00 0.00 174.94 174.98 1x50 s ARG 114 N -1.36 2.52 -0.31 2.79 0.52 -0.06 -0.00 118.95 123.03 1x50 s ARG 114 Ca 0.27 -0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1x50 s ARG 114 Cb -0.16 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 32.92 1x50 s ARG 114 CO 0.15 0.61 0.02 0.00 0.02 0.00 0.00 175.30 176.11 1x50 n GLY 116 N 4.64 2.90 0.06 0.00 0.00 -1.16 -4.02 105.19 107.61 1x50 n GLY 116 Ca -0.12 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 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 2.84 0.02 0.99 4.77 -1.26 -4.09 117.00 120.26 1x50 n LEU 117 Ca 0.00 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1x50 n LEU 117 Cb 0.00 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 1x50 n LEU 117 CO 0.00 0.50 -0.49 -2.24 -1.33 0.00 0.00 177.39 173.83 1x50 h ASP 118 N -0.00 0.22 -5.63 -1.43 2.03 -1.99 -3.49 116.42 106.12 1x50 h ASP 118 Ca -0.04 -0.39 0.26 0.00 -0.73 0.00 0.00 57.03 56.14 1x50 h ASP 118 Cb 1.06 -0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 39.42 1x50 h ASP 118 CO -0.01 1.34 0.74 0.00 -1.03 0.00 0.00 179.24 180.28 1x50 s ARG 119 N -2.60 0.78 0.37 4.15 1.70 -1.26 -4.06 118.95 118.03 1x50 s ARG 119 Ca -0.10 -0.48 0.06 0.00 -0.47 0.00 0.00 55.73 54.74 1x50 s ARG 119 Cb 0.07 0.23 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 1x50 s ARG 119 CO 0.82 -0.36 0.52 -0.06 -1.08 0.00 0.00 175.30 175.14 1x50 s PHE 120 N -2.30 3.07 -0.23 5.89 0.40 -0.99 -3.00 117.98 120.82 1x50 s PHE 120 Ca 0.22 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.32 1x50 s PHE 120 Cb -0.00 -2.12 0.08 0.00 0.51 0.00 0.00 43.02 41.49 1x50 s PHE 120 CO 0.01 -0.15 0.09 0.15 0.70 0.00 0.00 175.22 176.02 1x50 s LYS 121 N -4.27 0.32 -0.07 0.44 1.02 -0.84 -2.98 119.74 113.36 1x50 s LYS 121 Ca 0.47 -0.41 -0.19 0.00 0.02 0.00 0.00 55.97 55.87 1x50 s LYS 121 Cb -0.10 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1x50 s LYS 121 CO 0.32 -0.80 0.52 0.08 -0.92 0.00 0.00 175.35 174.55 1x50 s VAL 122 N 2.00 5.08 0.20 3.17 1.01 -0.59 -0.89 120.40 130.39 1x50 s VAL 122 Ca 0.04 1.05 0.10 0.00 0.00 0.00 0.00 61.98 63.18 1x50 s VAL 122 Cb -0.16 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1x50 s VAL 122 CO -0.19 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.77 1x50 s TYR 123 N 0.22 2.09 -0.07 5.22 1.51 0.20 -1.25 117.35 125.27 1x50 s TYR 123 Ca 0.28 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1x50 s TYR 123 Cb -0.16 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1x50 s TYR 123 CO 0.13 0.47 0.10 0.00 -1.11 0.00 0.00 175.55 175.14 1x50 s ALA 124 N -2.04 0.12 -1.03 3.71 0.00 0.12 -1.60 121.76 121.05 1x50 s ALA 124 Ca 0.21 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 1x50 s ALA 124 Cb -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1x50 s ALA 124 CO 0.09 -0.58 0.07 0.27 0.00 0.00 0.00 175.76 175.61 1x50 n ASN 125 N 5.31 -3.74 -0.04 0.00 0.23 -0.79 -0.22 115.26 116.00 1x50 n ASN 125 Ca -0.04 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1x50 n ASN 125 Cb 0.50 -3.18 0.00 0.00 -2.08 0.00 0.00 39.78 35.02 1x50 n ASN 125 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x50 n GLY 126 N -0.84 0.64 2.96 4.83 0.00 -1.26 -5.07 105.19 106.45 1x50 n GLY 126 Ca -0.12 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.64 0.47 -0.26 1.61 -1.52 0.69 -5.10 119.66 111.91 1x50 s GLN 127 Ca 0.00 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 52.93 1x50 s GLN 127 Cb 0.00 -0.46 -0.03 0.00 -0.22 0.00 0.00 33.01 32.30 1x50 s GLN 127 CO 0.00 0.11 1.76 -1.58 -0.25 0.00 0.00 175.29 175.33 1x50 s HIS 128 N -0.08 1.86 -0.04 0.91 5.65 -1.26 0.16 115.29 122.49 1x50 s HIS 128 Ca 0.02 0.52 -0.01 0.00 0.25 0.00 0.00 55.06 55.84 1x50 s HIS 128 Cb -0.03 -4.06 -0.00 0.00 -1.18 0.00 0.00 32.58 27.31 1x50 s HIS 128 CO -0.00 -3.17 -0.02 1.25 -0.65 0.00 0.00 174.74 172.14 1x50 h LEU 129 N 12.78 0.00 -7.60 8.88 5.85 -1.50 -3.44 115.31 130.27 1x50 h LEU 129 Ca -0.35 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.58 1x50 h LEU 129 Cb 1.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1x50 h LEU 129 CO 1.01 0.18 0.57 0.72 -0.34 0.00 0.00 178.44 180.58 1x50 s PHE 130 N -1.25 -0.09 0.09 1.25 -0.12 -1.20 -3.46 117.98 113.20 1x50 s PHE 130 Ca -0.02 -0.18 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 1x50 s PHE 130 Cb 0.00 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1x50 s PHE 130 CO 0.03 -0.72 -0.13 0.16 -0.05 0.00 0.00 175.22 174.51 1x50 s ASP 131 N -2.99 4.21 -0.37 1.98 -4.77 -1.26 -1.54 116.67 111.93 1x50 s ASP 131 Ca 0.14 -0.42 -0.04 0.00 -3.30 0.00 0.00 52.55 48.92 1x50 s ASP 131 Cb -0.00 -0.75 0.08 0.00 -1.09 0.00 0.00 42.92 41.15 1x50 s ASP 131 CO 0.01 0.19 0.15 0.12 0.70 0.00 0.00 175.17 176.34 1x50 s PHE 132 N -1.15 3.40 0.33 2.11 5.36 -1.16 -4.95 117.98 121.91 1x50 s PHE 132 Ca 0.20 -1.94 -0.29 0.00 -0.96 0.00 0.00 56.93 53.94 1x50 s PHE 132 Cb -0.11 -2.74 -0.11 0.00 -0.34 0.00 0.00 43.02 39.72 1x50 s PHE 132 CO 0.12 -0.87 1.55 0.00 -1.46 0.00 0.00 175.22 174.56 1x50 s ALA 133 N 1.27 3.68 -0.29 11.12 0.00 -1.26 -2.36 121.76 133.92 1x50 s ALA 133 Ca 0.02 1.58 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 1x50 s ALA 133 Cb -0.22 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1x50 s ALA 133 CO -0.01 -1.02 1.88 -1.01 0.00 0.00 0.00 175.76 175.60 1x50 s HIS 134 N -0.47 1.69 -0.24 0.00 0.09 -1.26 -4.84 115.29 110.26 1x50 s HIS 134 Ca 0.59 0.58 -0.11 0.00 -0.00 0.00 0.00 55.06 56.12 1x50 s HIS 134 Cb -0.47 -4.08 -0.16 0.00 -0.00 0.00 0.00 32.58 27.86 1x50 s HIS 134 CO 0.54 -3.23 -0.12 0.54 -0.00 0.00 0.00 174.74 172.47 1x50 n ARG 135 N 8.43 0.62 -3.37 1.40 1.74 -1.26 -4.84 116.66 119.38 1x50 n ARG 135 Ca 0.24 0.30 -0.44 0.00 -0.77 0.00 0.00 57.85 57.19 1x50 n ARG 135 Cb 0.46 -1.58 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 1x50 n ARG 135 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1x50 s LEU 136 N -7.31 5.19 0.46 0.55 2.96 -1.26 -4.94 118.68 114.33 1x50 s LEU 136 Ca -0.34 -0.97 0.24 0.00 -0.22 0.00 0.00 54.13 52.83 1x50 s LEU 136 Cb 0.11 -2.26 1.24 0.00 0.50 0.00 0.00 46.19 45.79 1x50 s LEU 136 CO 0.57 -0.59 1.83 -1.28 -1.32 0.00 0.00 176.35 175.56 1x50 h SER 137 N 8.73 0.27 -0.14 3.68 0.87 -2.01 0.37 113.55 125.34 1x50 h SER 137 Ca -0.27 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.26 1x50 h SER 137 Cb 1.11 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 1x50 h SER 137 CO 0.82 0.08 0.09 0.00 -0.53 0.00 0.00 176.83 177.28 1x50 n ALA 138 N -2.58 2.92 -0.27 6.23 0.00 -1.26 -4.41 120.51 121.14 1x50 n ALA 138 Ca 0.22 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.34 1x50 n ALA 138 Cb 0.89 -1.06 0.22 0.00 0.00 0.00 0.00 19.45 19.50 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 0.17 0.47 -1.02 0.00 -0.00 -0.63 0.11 116.94 116.04 1x50 h PHE 139 Ca 0.08 0.04 0.27 0.00 -0.00 0.00 0.00 57.97 58.36 1x50 h PHE 139 Cb 1.22 -0.08 -0.12 0.00 -0.00 0.00 0.00 35.95 36.97 1x50 h PHE 139 CO 0.22 -0.02 0.62 -0.56 -0.00 0.00 0.00 178.31 178.57 1x50 h GLN 140 N 0.37 0.47 -0.94 6.09 3.07 -1.77 0.31 115.11 122.72 1x50 h GLN 140 Ca 0.46 -0.03 0.08 0.00 0.09 0.00 0.00 58.65 59.25 1x50 h GLN 140 Cb 0.78 -0.11 -0.07 0.00 0.08 0.00 0.00 27.48 28.16 1x50 h GLN 140 CO -0.48 0.31 0.59 0.00 0.09 0.00 0.00 178.83 179.34 1x50 h ARG 141 N 0.49 1.00 -5.32 0.06 3.08 -1.07 -2.71 114.38 109.91 1x50 h ARG 141 Ca 0.66 -0.06 -0.53 0.00 0.07 0.00 0.00 59.98 60.11 1x50 h ARG 141 Cb 1.40 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 1x50 h ARG 141 CO -0.46 0.66 1.66 0.28 -1.07 0.00 0.00 179.97 181.05 1x50 n VAL 142 N -4.59 -0.00 -2.08 2.04 0.31 0.11 -4.35 118.33 109.76 1x50 n VAL 142 Ca 0.15 -0.21 -0.04 0.00 -0.01 0.00 0.00 64.34 64.23 1x50 n VAL 142 Cb 0.23 -1.15 0.09 0.00 -0.91 0.00 0.00 33.84 32.10 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 11.46 2.44 -3.57 4.52 9.92 -1.20 -2.41 116.55 137.71 1x50 n ASP 143 Ca 0.56 -3.20 -0.14 0.00 -0.53 0.00 0.00 54.79 51.48 1x50 n ASP 143 Cb 0.16 -0.42 -0.12 0.00 -0.64 0.00 0.00 41.12 40.10 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 -3.05 -0.42 -0.26 -3.53 2.01 -0.14 -1.43 115.64 108.83 1x50 s THR 144 Ca 0.39 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 1x50 s THR 144 Cb 0.38 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 72.35 1x50 s THR 144 CO -0.06 -0.02 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.59 1x50 s LEU 145 N 2.41 3.32 0.24 4.42 2.96 0.62 -0.16 118.68 132.49 1x50 s LEU 145 Ca 0.04 -0.91 0.10 0.00 -0.22 0.00 0.00 54.13 53.14 1x50 s LEU 145 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1x50 s LEU 145 CO -0.11 -0.15 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.89 1x50 s GLU 146 N 1.33 2.14 -0.07 1.98 -1.05 -0.55 0.26 118.70 122.73 1x50 s GLU 146 Ca -0.00 -1.41 -0.03 0.00 -0.15 0.00 0.00 54.97 53.38 1x50 s GLU 146 Cb -0.17 -2.11 0.04 0.00 -0.44 0.00 0.00 34.13 31.45 1x50 s GLU 146 CO -0.04 0.38 0.14 0.42 0.95 0.00 0.00 175.26 177.12 1x50 s ILE 147 N -2.14 -0.18 0.36 1.83 1.01 -0.41 -2.18 121.20 119.48 1x50 s ILE 147 Ca 0.29 0.31 0.04 0.00 0.00 0.00 0.00 60.65 61.29 1x50 s ILE 147 Cb -0.07 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1x50 s ILE 147 CO 0.18 0.13 0.14 0.00 0.00 0.00 0.00 174.94 175.38 1x50 s GLN 148 N 1.93 1.76 0.00 2.79 0.00 -0.86 -1.21 119.66 124.07 1x50 s GLN 148 Ca -0.01 -2.04 0.00 0.00 -0.00 0.00 0.00 55.36 53.32 1x50 s GLN 148 Cb -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 33.01 32.47 1x50 s GLN 148 CO -0.05 -0.44 0.00 0.41 0.00 0.00 0.00 175.29 175.21 1x50 n GLY 149 N -0.75 -0.24 3.26 2.60 0.00 -1.26 -1.13 105.19 107.66 1x50 n GLY 149 Ca -0.02 -1.88 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 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 6.22 -0.02 1.61 1.01 -0.41 -4.91 116.67 116.18 1x50 s ASP 150 Ca 0.00 -2.53 -0.17 0.00 0.71 0.00 0.00 52.55 50.56 1x50 s ASP 150 Cb 0.00 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.85 1x50 s ASP 150 CO 0.00 -0.57 0.36 0.54 0.21 0.00 0.00 175.17 175.70 1x50 s VAL 151 N 0.42 0.05 -0.54 -1.27 0.11 -1.26 -3.83 120.40 114.07 1x50 s VAL 151 Ca 0.14 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1x50 s VAL 151 Cb -0.17 -0.67 0.14 0.00 -1.53 0.00 0.00 36.38 34.15 1x50 s VAL 151 CO -0.05 -0.23 0.34 -0.89 -3.33 0.00 0.00 175.10 170.94 1x50 s THR 152 N -1.35 3.44 0.23 5.04 2.01 0.48 -4.95 115.64 120.54 1x50 s THR 152 Ca -0.13 -2.69 -0.30 0.00 0.31 0.00 0.00 61.69 58.88 1x50 s THR 152 Cb -0.04 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1x50 s THR 152 CO 0.05 -0.80 1.08 -0.76 -0.69 0.00 0.00 174.62 173.49 1x50 s LEU 153 N 0.32 4.54 0.00 4.42 1.43 -1.26 0.85 118.68 128.98 1x50 s LEU 153 Ca 0.14 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1x50 s LEU 153 Cb -0.21 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1x50 s LEU 153 CO -0.03 -0.14 0.00 -1.20 0.23 0.00 0.00 176.35 175.21 1x50 n SER 154 N 1.71 3.96 -3.70 2.29 7.64 0.28 -3.99 113.62 121.81 1x50 n SER 154 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1x50 n SER 154 Cb 0.46 0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.88 -0.54 -0.15 1.43 6.14 -0.18 -1.21 117.35 120.96 1x50 s TYR 155 Ca 0.00 1.18 -0.04 0.00 0.64 0.00 0.00 57.07 58.85 1x50 s TYR 155 Cb 0.00 0.22 0.06 0.00 0.42 0.00 0.00 41.96 42.66 1x50 s TYR 155 CO 0.00 -0.31 0.10 0.08 0.64 0.00 0.00 175.55 176.05 1x50 s VAL 156 N 1.30 -0.12 -0.05 3.14 1.01 -1.22 -1.23 120.40 123.23 1x50 s VAL 156 Ca -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1x50 s VAL 156 Cb -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1x50 s VAL 156 CO -0.11 -0.19 -0.05 -1.58 0.00 0.00 0.00 175.10 173.17 1x50 s GLN 157 N 2.17 0.87 -0.91 2.72 0.74 -1.24 -3.09 119.66 120.92 1x50 s GLN 157 Ca 0.03 -0.12 -0.19 0.00 0.05 0.00 0.00 55.36 55.14 1x50 s GLN 157 Cb -0.15 -0.88 0.13 0.00 1.10 0.00 0.00 33.01 33.21 1x50 s GLN 157 CO -0.08 -0.08 1.09 0.42 -0.55 0.00 0.00 175.29 176.08 1x50 s ILE 158 N 0.94 4.77 0.21 -2.34 1.09 -1.26 -3.39 121.20 121.23 1x50 s ILE 158 Ca -0.11 -1.58 -0.29 0.00 -1.10 0.00 0.00 60.65 57.57 1x50 s ILE 158 Cb -0.14 -4.75 -0.16 0.00 -1.06 0.00 0.00 42.46 36.35 1x50 s ILE 158 CO 0.00 -1.47 0.82 -1.20 -0.10 0.00 0.00 174.94 172.99 1x50 n SER 159 N 6.42 0.10 -2.58 3.58 7.64 -0.57 -4.91 113.62 123.30 1x50 n SER 159 Ca 0.22 1.15 0.02 0.00 1.01 0.00 0.00 58.87 61.27 1x50 n SER 159 Cb 0.49 -1.10 0.01 0.00 -1.01 0.00 0.00 64.21 62.59 1x50 n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x50 n GLY 160 N 1.70 0.29 3.74 0.23 0.00 -1.26 -3.46 105.19 106.42 1x50 n GLY 160 Ca 0.15 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 4.39 -0.19 1.61 0.04 -1.26 -4.96 135.00 132.62 1x50 s PRO 161 Ca 0.17 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 1x50 s PRO 161 Cb -0.00 -3.20 -0.20 0.00 0.04 0.00 0.00 34.50 31.13 1x50 s PRO 161 CO -0.01 -0.26 0.12 0.43 0.04 0.00 0.00 177.00 177.33 1x50 n SER 162 N 2.72 1.99 -3.89 6.66 7.64 -1.26 -4.86 113.62 122.62 1x50 n SER 162 Ca 0.06 0.26 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 1x50 n SER 162 Cb 0.43 -0.84 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 1x50 n SER 162 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x50 s SER 163 N -6.98 3.58 0.00 6.43 0.15 -1.26 -5.28 113.70 110.35 1x50 s SER 163 Ca -0.29 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1x50 s SER 163 Cb 0.08 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1x50 s SER 163 CO 0.64 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.44