#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 3.30 -0.81 1.61 0.15 -1.26 -5.07 113.70 111.62 1x50 s SER 2 Ca 0.00 -3.41 -0.32 0.00 0.70 0.00 0.00 55.95 52.91 1x50 s SER 2 Cb 0.00 -1.08 -0.19 0.00 -1.71 0.00 0.00 66.02 63.05 1x50 s SER 2 CO 0.00 -0.14 2.54 -0.24 1.20 0.00 0.00 173.24 176.61 1x50 n SER 3 N 2.48 0.79 -3.44 5.45 2.88 -1.26 -4.84 113.62 115.68 1x50 n SER 3 Ca 0.23 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.67 1x50 n SER 3 Cb 0.40 -1.04 -0.11 0.00 -0.75 0.00 0.00 64.21 62.71 1x50 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x50 s GLY 4 N 8.95 0.61 -0.78 0.46 0.00 -1.26 -4.98 107.32 110.32 1x50 s GLY 4 Ca 1.26 -1.61 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 1x50 s GLY 4 CO 0.48 2.26 0.65 -0.56 0.00 0.00 0.00 173.10 175.93 1x50 s SER 5 N 1.20 5.87 -0.14 1.64 0.01 -1.26 -5.06 113.70 115.96 1x50 s SER 5 Ca 0.17 -3.18 -0.16 0.00 1.31 0.00 0.00 55.95 54.09 1x50 s SER 5 Cb -0.21 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1x50 s SER 5 CO -0.01 -0.33 0.41 -0.55 0.41 0.00 0.00 173.24 173.16 1x50 s SER 6 N 0.67 6.57 0.18 2.44 0.15 -1.26 -5.08 113.70 117.37 1x50 s SER 6 Ca 0.22 0.68 0.08 0.00 0.70 0.00 0.00 55.95 57.62 1x50 s SER 6 Cb -0.13 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1x50 s SER 6 CO -0.08 0.02 -0.16 -0.83 1.20 0.00 0.00 173.24 173.39 1x50 s GLY 7 N 0.62 1.40 0.58 9.45 0.00 -1.26 -5.11 107.32 113.00 1x50 s GLY 7 Ca 0.22 -1.56 -0.17 0.00 0.00 0.00 0.00 44.72 43.21 1x50 s GLY 7 CO 0.08 -1.64 -0.26 -2.39 0.00 0.00 0.00 173.10 168.89 1x50 n HIS 8 N -0.02 -3.21 -2.28 1.90 -0.00 -1.26 -4.93 115.22 105.42 1x50 n HIS 8 Ca -0.11 0.33 -0.28 0.00 -0.00 0.00 0.00 57.72 57.66 1x50 n HIS 8 Cb 0.59 -1.54 0.03 0.00 -0.00 0.00 0.00 29.99 29.07 1x50 n HIS 8 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1x50 s GLN 9 N -1.15 3.02 -0.51 -1.40 1.03 -1.26 -4.98 119.66 114.41 1x50 s GLN 9 Ca 0.50 0.17 -0.28 0.00 0.04 0.00 0.00 55.36 55.79 1x50 s GLN 9 Cb -0.40 -2.22 -0.00 0.00 0.03 0.00 0.00 33.01 30.41 1x50 s GLN 9 CO 0.66 -0.70 1.62 -0.65 -2.54 0.00 0.00 175.29 173.68 1x50 s GLN 10 N -5.05 3.15 0.43 9.60 -0.21 -1.26 -4.85 119.66 121.47 1x50 s GLN 10 Ca 0.54 0.75 0.17 0.00 0.02 0.00 0.00 55.36 56.84 1x50 s GLN 10 Cb -0.11 -4.20 0.98 0.00 1.00 0.00 0.00 33.01 30.68 1x50 s GLN 10 CO 0.47 -2.11 1.94 1.37 -2.12 0.00 0.00 175.29 174.85 1x50 h LEU 11 N 14.06 0.00 -8.31 2.90 -0.00 -2.04 -3.40 115.31 118.53 1x50 h LEU 11 Ca -0.28 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 56.94 1x50 h LEU 11 Cb 1.13 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.49 1x50 h LEU 11 CO 1.15 0.24 -0.75 0.20 -0.00 0.00 0.00 178.44 179.28 1x50 s ASN 12 N -6.78 4.09 0.38 0.17 0.02 -1.26 -5.11 114.94 106.45 1x50 s ASN 12 Ca -0.03 -0.50 0.04 0.00 -1.02 0.00 0.00 52.86 51.36 1x50 s ASN 12 Cb 0.15 -1.68 -0.06 0.00 0.02 0.00 0.00 41.25 39.67 1x50 s ASN 12 CO 0.68 -0.03 0.05 -0.44 0.02 0.00 0.00 177.10 177.38 1x50 s SER 13 N 1.43 3.05 0.21 -1.22 0.01 -1.26 -5.16 113.70 110.75 1x50 s SER 13 Ca 0.05 -1.44 0.11 0.00 1.31 0.00 0.00 55.95 55.98 1x50 s SER 13 Cb -0.14 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1x50 s SER 13 CO -0.05 -0.62 -0.22 -1.48 0.41 0.00 0.00 173.24 171.27 1x50 s LEU 14 N -3.61 2.50 1.15 2.44 0.05 -1.26 -5.14 118.68 114.81 1x50 s LEU 14 Ca 0.31 -0.87 -0.17 0.00 0.05 0.00 0.00 54.13 53.45 1x50 s LEU 14 Cb 0.08 -1.20 0.26 0.00 -2.05 0.00 0.00 46.19 43.28 1x50 s LEU 14 CO 0.15 0.11 1.10 -2.16 -0.55 0.00 0.00 176.35 175.00 1x50 s PRO 15 N -2.83 -0.84 0.50 1.48 0.04 -1.26 -5.00 135.00 127.10 1x50 s PRO 15 Ca 0.23 0.08 -0.21 0.00 0.04 0.00 0.00 61.00 61.13 1x50 s PRO 15 Cb -0.07 -1.63 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 1x50 s PRO 15 CO 0.11 -3.48 1.14 -0.08 0.04 0.00 0.00 177.00 174.72 1x50 s THR 16 N -2.99 3.20 -0.64 1.26 -1.32 -1.26 -4.94 115.64 108.94 1x50 s THR 16 Ca 0.69 0.81 -0.02 0.00 -1.21 0.00 0.00 61.69 61.97 1x50 s THR 16 Cb -0.12 -3.37 0.43 0.00 -1.51 0.00 0.00 72.50 67.93 1x50 s THR 16 CO 0.56 -0.10 2.04 1.15 -2.21 0.00 0.00 174.62 176.07 1x50 n MET 17 N -0.90 2.62 -1.15 7.08 0.00 -1.26 -4.98 117.12 118.53 1x50 n MET 17 Ca 0.09 -3.15 -0.20 0.00 0.00 0.00 0.00 57.70 54.45 1x50 n MET 17 Cb 0.50 -2.23 0.15 0.00 0.00 0.00 0.00 33.22 31.63 1x50 n MET 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1x50 n GLU 18 N -0.80 -1.26 0.00 3.17 -0.58 -1.26 -4.87 120.64 115.04 1x50 n GLU 18 Ca 0.60 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.00 1x50 n GLU 18 Cb 0.64 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 1x50 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x50 n GLY 19 N -1.27 0.85 3.70 0.62 0.00 -1.26 -4.97 105.19 102.87 1x50 n GLY 19 Ca 0.11 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 0.97 0.69 1.61 0.04 -1.26 -5.05 135.00 131.99 1x50 s PRO 20 Ca 0.00 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.65 1x50 s PRO 20 Cb 0.00 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.93 1x50 s PRO 20 CO 0.00 -2.41 0.61 -0.35 0.04 0.00 0.00 177.00 174.89 1x50 n PRO 21 N -3.99 -2.22 -3.68 0.56 -0.04 -1.26 -5.05 135.00 119.33 1x50 n PRO 21 Ca 0.06 -0.98 -0.30 0.00 -0.04 0.00 0.00 63.50 62.25 1x50 n PRO 21 Cb 0.56 -0.92 -0.04 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.11 5.19 -0.17 0.52 2.01 -1.18 -5.03 115.64 114.87 1x50 s THR 22 Ca 0.40 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 1x50 s THR 22 Cb -0.04 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1x50 s THR 22 CO 0.31 -0.06 0.39 -0.36 -0.69 0.00 0.00 174.62 174.21 1x50 s PHE 23 N -1.75 -0.60 -1.39 4.92 0.40 -1.26 -3.92 117.98 114.37 1x50 s PHE 23 Ca 0.40 1.26 -0.06 0.00 -0.60 0.00 0.00 56.93 57.93 1x50 s PHE 23 Cb -0.12 0.23 0.03 0.00 0.51 0.00 0.00 43.02 43.68 1x50 s PHE 23 CO 0.27 -0.36 0.86 0.09 0.70 0.00 0.00 175.22 176.78 1x50 n ASN 24 N 4.55 -3.00 -4.73 1.36 4.13 -0.98 -4.91 115.26 111.68 1x50 n ASN 24 Ca -0.20 -0.77 -0.42 0.00 1.68 0.00 0.00 54.58 54.88 1x50 n ASN 24 Cb 0.53 -4.12 -0.03 0.00 -1.54 0.00 0.00 39.78 34.62 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 -6.22 4.37 0.64 3.52 0.04 -1.26 -5.02 135.00 131.07 1x50 s PRO 25 Ca 0.30 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 1x50 s PRO 25 Cb -0.15 -3.22 0.16 0.00 0.04 0.00 0.00 34.50 31.33 1x50 s PRO 25 CO 0.81 -0.32 0.57 -0.35 0.04 0.00 0.00 177.00 177.75 1x50 n PRO 26 N 3.18 -2.13 -3.81 0.56 -0.04 -1.26 -4.44 135.00 127.05 1x50 n PRO 26 Ca 0.08 -0.91 -0.13 0.00 -0.04 0.00 0.00 63.50 62.50 1x50 n PRO 26 Cb 0.43 -0.85 -0.13 0.00 -0.04 0.00 0.00 33.50 32.90 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 -2.03 -0.01 0.42 0.52 1.01 -1.26 -3.11 120.40 115.93 1x50 s VAL 27 Ca 0.37 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 1x50 s VAL 27 Cb -0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 1x50 s VAL 27 CO 0.28 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.42 1x50 s PRO 28 N 0.32 3.96 -0.26 2.72 0.04 -1.26 -5.06 135.00 135.47 1x50 s PRO 28 Ca -0.02 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.03 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 1x50 s PRO 28 CO -0.01 -0.41 0.25 -0.47 0.04 0.00 0.00 177.00 176.40 1x50 s TYR 29 N -1.44 3.27 -0.49 0.56 6.14 -0.79 -4.90 117.35 119.70 1x50 s TYR 29 Ca 0.59 0.28 -0.14 0.00 0.64 0.00 0.00 57.07 58.44 1x50 s TYR 29 Cb -0.31 -2.41 0.11 0.00 0.42 0.00 0.00 41.96 39.77 1x50 s TYR 29 CO 0.38 -0.10 0.41 -0.06 0.64 0.00 0.00 175.55 176.83 1x50 s PHE 30 N 1.59 3.29 -0.42 4.97 0.08 -1.26 -1.85 117.98 124.38 1x50 s PHE 30 Ca 0.10 -1.34 -0.14 0.00 0.12 0.00 0.00 56.93 55.67 1x50 s PHE 30 Cb -0.15 -3.47 0.03 0.00 -0.57 0.00 0.00 43.02 38.86 1x50 s PHE 30 CO 0.09 -0.94 0.31 0.20 -0.10 0.00 0.00 175.22 174.78 1x50 s GLY 31 N 2.98 2.01 -0.07 4.36 0.00 0.88 -4.98 107.32 112.49 1x50 s GLY 31 Ca 0.04 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 1x50 s GLY 31 CO 0.03 0.94 1.32 0.50 0.00 0.00 0.00 173.10 175.89 1x50 s ARG 32 N 1.65 4.28 -0.38 2.90 1.81 -1.26 -1.38 118.95 126.57 1x50 s ARG 32 Ca 0.04 1.80 -0.24 0.00 -1.72 0.00 0.00 55.73 55.62 1x50 s ARG 32 Cb -0.20 -3.66 0.01 0.00 -0.45 0.00 0.00 34.95 30.65 1x50 s ARG 32 CO 0.09 -0.59 0.81 -0.51 -0.68 0.00 0.00 175.30 174.41 1x50 s LEU 33 N 2.79 4.12 -1.24 2.53 1.43 -0.70 -4.84 118.68 122.76 1x50 s LEU 33 Ca 0.59 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 1x50 s LEU 33 Cb -0.26 -3.05 0.12 0.00 0.03 0.00 0.00 46.19 43.02 1x50 s LEU 33 CO 0.22 -0.78 1.58 -1.10 0.23 0.00 0.00 176.35 176.50 1x50 s GLN 34 N 3.19 4.02 0.00 1.70 -1.52 -1.26 -3.72 119.66 122.07 1x50 s GLN 34 Ca 0.32 -2.24 0.00 0.00 -1.95 0.00 0.00 55.36 51.49 1x50 s GLN 34 Cb -0.13 -5.30 0.00 0.00 -0.22 0.00 0.00 33.01 27.36 1x50 s GLN 34 CO 0.18 -2.02 0.00 0.41 -0.25 0.00 0.00 175.29 173.61 1x50 n GLY 35 N 4.85 3.38 0.45 3.09 0.00 -1.26 -5.04 105.19 110.65 1x50 n GLY 35 Ca 0.42 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.34 3.55 -0.02 0.00 -1.24 -4.80 105.19 99.34 1x50 n GLY 36 Ca 0.00 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1x50 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x50 s LEU 37 N 0.00 3.27 0.29 0.99 1.43 -1.01 -4.94 118.68 118.71 1x50 s LEU 37 Ca 0.00 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 1x50 s LEU 37 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1x50 s LEU 37 CO 0.00 -2.54 0.18 0.42 0.23 0.00 0.00 176.35 174.64 1x50 s THR 38 N 9.76 3.89 0.49 5.49 -4.23 -1.26 -4.13 115.64 125.65 1x50 s THR 38 Ca 0.72 -1.51 0.22 0.00 -1.18 0.00 0.00 61.69 59.93 1x50 s THR 38 Cb -0.12 -3.21 0.27 0.00 1.34 0.00 0.00 72.50 70.79 1x50 s THR 38 CO 0.17 -0.29 2.12 0.00 -0.54 0.00 0.00 174.62 176.08 1x50 h ALA 39 N 1.50 1.61 -0.78 3.99 0.00 -1.77 -1.85 119.26 121.96 1x50 h ALA 39 Ca -0.46 -0.07 -0.46 0.00 0.00 0.00 0.00 54.91 53.92 1x50 h ALA 39 Cb 1.25 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.77 1x50 h ALA 39 CO 0.60 0.10 0.36 0.54 0.00 0.00 0.00 179.25 180.85 1x50 n ARG 40 N -4.07 2.34 -4.55 0.00 3.00 -1.26 -4.49 116.66 107.62 1x50 n ARG 40 Ca -0.03 -3.23 -0.34 0.00 -0.01 0.00 0.00 57.85 54.25 1x50 n ARG 40 Cb 0.17 -2.10 -0.11 0.00 0.00 0.00 0.00 32.46 30.41 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 -3.43 2.96 -0.05 5.56 3.52 -0.70 -3.90 118.95 122.92 1x50 s ARG 41 Ca 0.55 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.60 1x50 s ARG 41 Cb 0.46 -2.68 0.03 0.00 -1.56 0.00 0.00 34.95 31.20 1x50 s ARG 41 CO 0.04 0.59 0.04 0.99 -0.81 0.00 0.00 175.30 176.15 1x50 s THR 42 N -0.59 0.01 -0.04 4.11 2.01 -1.26 -1.08 115.64 118.81 1x50 s THR 42 Ca 0.09 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.29 1x50 s THR 42 Cb -0.12 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1x50 s THR 42 CO 0.02 0.19 0.39 -0.63 -0.69 0.00 0.00 174.62 173.90 1x50 s ILE 43 N 2.04 5.10 -0.13 1.82 1.09 0.25 -1.54 121.20 129.82 1x50 s ILE 43 Ca 0.04 0.79 -0.00 0.00 -1.10 0.00 0.00 60.65 60.38 1x50 s ILE 43 Cb -0.12 -3.70 0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1x50 s ILE 43 CO -0.03 0.53 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.63 1x50 s ILE 44 N -0.71 1.10 -0.30 2.92 1.01 -1.06 0.63 121.20 124.79 1x50 s ILE 44 Ca 0.23 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1x50 s ILE 44 Cb -0.16 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.23 1x50 s ILE 44 CO 0.12 0.31 -0.03 -0.63 0.00 0.00 0.00 174.94 174.71 1x50 s ILE 45 N 1.67 2.49 -0.31 2.92 1.01 0.22 -3.03 121.20 126.17 1x50 s ILE 45 Ca 0.04 -1.74 -0.03 0.00 0.00 0.00 0.00 60.65 58.92 1x50 s ILE 45 Cb -0.13 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.84 1x50 s ILE 45 CO -0.08 -0.21 0.03 -0.54 0.00 0.00 0.00 174.94 174.14 1x50 s LYS 46 N 1.11 2.44 0.00 2.79 1.02 -0.07 -1.35 119.74 125.68 1x50 s LYS 46 Ca -0.03 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1x50 s LYS 46 Cb -0.20 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1x50 s LYS 46 CO -0.04 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.15 1x50 n GLY 47 N 4.66 5.29 3.62 -3.33 0.00 -1.21 -1.03 105.19 113.18 1x50 n GLY 47 Ca -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 1.32 -0.66 -0.23 1.61 6.14 0.16 -3.32 117.35 122.38 1x50 s TYR 48 Ca 0.00 1.30 -0.29 0.00 0.64 0.00 0.00 57.07 58.72 1x50 s TYR 48 Cb 0.00 0.40 0.01 0.00 0.42 0.00 0.00 41.96 42.78 1x50 s TYR 48 CO 0.00 -0.33 1.09 0.08 0.64 0.00 0.00 175.55 177.03 1x50 s VAL 49 N 1.55 4.59 0.75 3.14 1.01 -1.24 -1.00 120.40 129.20 1x50 s VAL 49 Ca -0.08 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1x50 s VAL 49 Cb -0.04 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1x50 s VAL 49 CO -0.16 -0.20 1.10 -2.16 0.00 0.00 0.00 175.10 173.67 1x50 s PRO 50 N 3.31 2.38 0.44 2.72 0.04 -1.26 -1.88 135.00 140.75 1x50 s PRO 50 Ca 0.46 1.22 0.30 0.00 0.04 0.00 0.00 61.00 63.02 1x50 s PRO 50 Cb -0.16 -1.91 1.25 0.00 0.04 0.00 0.00 34.50 33.72 1x50 s PRO 50 CO 0.09 -1.56 1.89 -1.00 0.04 0.00 0.00 177.00 176.46 1x50 h PRO 51 N -0.88 0.00 -0.31 0.56 0.13 -1.95 -2.62 132.00 126.94 1x50 h PRO 51 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x50 h PRO 51 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x50 h PRO 51 CO 0.52 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.54 1x50 n THR 52 N -2.77 2.19 -4.11 1.56 -2.24 -1.26 -4.94 114.28 102.71 1x50 n THR 52 Ca 0.01 -1.72 -0.34 0.00 -2.27 0.00 0.00 64.05 59.73 1x50 n THR 52 Cb 0.27 -0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.68 1.50 0.03 3.38 0.00 -0.99 -5.02 107.32 104.54 1x50 s GLY 53 Ca 0.42 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 1x50 s GLY 53 CO 0.11 0.29 1.30 0.50 0.00 0.00 0.00 173.10 175.30 1x50 h LYS 54 N 7.88 -0.93 -1.69 2.90 1.57 -1.87 -3.44 116.57 120.99 1x50 h LYS 54 Ca -0.41 0.06 0.27 0.00 -1.87 0.00 0.00 60.65 58.70 1x50 h LYS 54 Cb 1.16 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 33.56 1x50 h LYS 54 CO 0.61 -0.60 0.73 -1.12 -0.57 0.00 0.00 179.45 178.51 1x50 s SER 55 N -4.43 -0.11 0.12 0.86 0.01 -1.26 -4.07 113.70 104.81 1x50 s SER 55 Ca -0.16 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1x50 s SER 55 Cb 0.02 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1x50 s SER 55 CO 0.50 -0.44 0.01 2.22 0.41 0.00 0.00 173.24 175.95 1x50 n PHE 56 N -0.41 0.13 -3.68 2.43 -1.74 -1.26 -0.92 117.46 112.01 1x50 n PHE 56 Ca -0.07 -0.57 -0.11 0.00 -0.56 0.00 0.00 57.45 56.15 1x50 n PHE 56 Cb 0.62 -0.08 -0.09 0.00 1.52 0.00 0.00 39.48 41.44 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 -2.20 -1.34 -0.42 1.98 0.00 0.17 -3.65 121.76 116.31 1x50 s ALA 57 Ca 0.01 1.72 -0.00 0.00 0.00 0.00 0.00 51.96 53.69 1x50 s ALA 57 Cb -0.00 -1.02 0.11 0.00 0.00 0.00 0.00 23.12 22.21 1x50 s ALA 57 CO 0.00 -0.29 0.19 0.42 0.00 0.00 0.00 175.76 176.08 1x50 s ILE 58 N 1.03 2.96 -0.06 0.00 1.09 0.96 -2.15 121.20 125.03 1x50 s ILE 58 Ca -0.06 -2.35 -0.05 0.00 -1.10 0.00 0.00 60.65 57.10 1x50 s ILE 58 Cb -0.06 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.24 1x50 s ILE 58 CO -0.09 -0.69 0.16 0.20 -0.10 0.00 0.00 174.94 174.41 1x50 s ASN 59 N 1.24 6.34 -0.42 3.58 0.01 -1.05 -2.13 114.94 122.51 1x50 s ASN 59 Ca 0.11 0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1x50 s ASN 59 Cb -0.22 -2.01 0.11 0.00 0.41 0.00 0.00 41.25 39.55 1x50 s ASN 59 CO -0.05 0.33 0.19 -0.36 -1.51 0.00 0.00 177.10 175.70 1x50 s PHE 60 N -1.18 3.59 0.47 2.20 0.40 0.33 -2.18 117.98 121.61 1x50 s PHE 60 Ca 0.22 -2.66 0.03 0.00 -0.60 0.00 0.00 56.93 53.92 1x50 s PHE 60 Cb -0.12 -3.12 0.02 0.00 0.51 0.00 0.00 43.02 40.30 1x50 s PHE 60 CO 0.12 -0.94 0.67 0.21 0.70 0.00 0.00 175.22 175.98 1x50 s LYS 61 N 0.86 2.78 -0.24 0.44 2.20 -0.25 -1.53 119.74 124.01 1x50 s LYS 61 Ca 0.10 -0.86 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 1x50 s LYS 61 Cb -0.22 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.45 1x50 s LYS 61 CO -0.05 -0.43 0.15 0.08 -0.36 0.00 0.00 175.35 174.75 1x50 s VAL 62 N -2.55 5.32 0.33 4.02 1.01 -0.57 -1.08 120.40 126.88 1x50 s VAL 62 Ca 0.53 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1x50 s VAL 62 Cb -0.10 -3.48 0.25 0.00 0.00 0.00 0.00 36.38 33.05 1x50 s VAL 62 CO 0.36 0.35 1.98 1.23 0.00 0.00 0.00 175.10 179.02 1x50 h GLY 63 N 7.50 0.97 0.00 4.51 0.00 -1.77 -1.09 103.07 113.19 1x50 h GLY 63 Ca -0.38 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1x50 h GLY 63 CO 0.66 0.37 0.00 1.44 0.00 0.00 0.00 176.54 179.01 1x50 n SER 64 N -4.41 0.00 0.00 0.19 7.64 -1.26 -4.68 113.62 111.10 1x50 n SER 64 Ca 0.07 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1x50 n SER 64 Cb 0.06 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1x50 n SER 64 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x50 n SER 65 N -1.50 0.00 0.00 6.43 7.64 -1.24 -5.05 113.62 119.90 1x50 n SER 65 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1x50 n SER 65 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1x50 n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x50 n GLY 66 N 2.15 0.33 3.64 0.23 0.00 -0.41 -4.95 105.19 106.17 1x50 n GLY 66 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.64 4.93 -0.37 1.61 1.01 -1.26 -4.66 116.67 117.30 1x50 s ASP 67 Ca 0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 52.55 53.05 1x50 s ASP 67 Cb 0.00 -1.27 0.00 0.00 1.01 0.00 0.00 42.92 42.67 1x50 s ASP 67 CO 0.00 0.31 0.58 -0.63 0.21 0.00 0.00 175.17 175.64 1x50 s ILE 68 N -0.98 4.94 0.05 0.77 1.01 0.18 -1.51 121.20 125.66 1x50 s ILE 68 Ca 0.16 0.39 0.06 0.00 0.00 0.00 0.00 60.65 61.26 1x50 s ILE 68 Cb -0.11 -4.04 -0.23 0.00 0.01 0.00 0.00 42.46 38.08 1x50 s ILE 68 CO 0.06 -0.31 1.02 0.00 0.00 0.00 0.00 174.94 175.71 1x50 h ALA 69 N 8.52 0.43 -3.44 9.38 0.00 -1.49 -0.27 119.26 132.40 1x50 h ALA 69 Ca -0.27 -1.10 -0.27 0.00 0.00 0.00 0.00 54.91 53.27 1x50 h ALA 69 Cb 1.11 0.12 -0.33 0.00 0.00 0.00 0.00 17.79 18.69 1x50 h ALA 69 CO 0.82 1.30 -0.68 -1.17 0.00 0.00 0.00 179.25 179.52 1x50 s LEU 70 N -6.62 1.02 -0.37 0.00 2.96 -1.25 -4.55 118.68 109.87 1x50 s LEU 70 Ca -0.03 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1x50 s LEU 70 Cb 0.09 0.09 0.13 0.00 0.50 0.00 0.00 46.19 47.00 1x50 s LEU 70 CO 0.83 -0.13 0.19 -2.28 -1.32 0.00 0.00 176.35 173.65 1x50 s HIS 71 N 1.02 1.35 -0.14 5.38 5.65 0.60 -0.52 115.29 128.63 1x50 s HIS 71 Ca -0.08 -1.87 -0.12 0.00 0.25 0.00 0.00 55.06 53.23 1x50 s HIS 71 Cb -0.11 -1.44 -0.05 0.00 -1.18 0.00 0.00 32.58 29.80 1x50 s HIS 71 CO -0.04 -0.82 0.25 0.42 -0.65 0.00 0.00 174.74 173.90 1x50 s ILE 72 N 1.01 5.33 -0.21 0.89 1.01 -0.91 -0.81 121.20 127.52 1x50 s ILE 72 Ca 0.15 0.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 1x50 s ILE 72 Cb -0.22 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.76 1x50 s ILE 72 CO -0.08 0.46 0.11 0.21 0.00 0.00 0.00 174.94 175.64 1x50 s ASN 73 N 0.00 2.70 0.66 3.58 3.04 -0.67 -0.03 114.94 124.23 1x50 s ASN 73 Ca 0.15 -0.83 -0.15 0.00 0.04 0.00 0.00 52.86 52.07 1x50 s ASN 73 Cb -0.13 -0.25 -0.00 0.00 -1.54 0.00 0.00 41.25 39.33 1x50 s ASN 73 CO 0.04 -0.38 1.11 -2.16 -3.04 0.00 0.00 177.10 172.67 1x50 s PRO 74 N 2.14 2.80 -0.31 0.43 0.04 -1.24 -2.43 135.00 136.43 1x50 s PRO 74 Ca 0.05 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 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 -0.19 -1.25 0.09 1.03 0.04 0.00 0.00 177.00 176.72 1x50 s ARG 75 N -4.09 0.75 0.91 4.56 0.52 -1.15 -4.40 118.95 116.06 1x50 s ARG 75 Ca 0.67 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 54.70 1x50 s ARG 75 Cb -0.21 -2.05 0.14 0.00 0.52 0.00 0.00 34.95 33.36 1x50 s ARG 75 CO 0.41 -0.97 1.11 -1.64 0.02 0.00 0.00 175.30 174.24 1x50 s MET 76 N 1.60 1.09 0.00 3.54 -1.94 -1.26 -1.85 119.30 120.48 1x50 s MET 76 Ca 0.09 1.30 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 1x50 s MET 76 Cb -0.17 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 34.91 1x50 s MET 76 CO -0.24 -2.50 0.00 0.41 -0.01 0.00 0.00 175.02 172.69 1x50 n GLY 77 N -0.19 2.06 0.14 -0.03 0.00 -1.26 -4.43 105.19 101.49 1x50 n GLY 77 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.21 0.00 1.61 -1.24 -2.01 -3.49 115.58 110.25 1x50 h ASN 78 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1x50 h ASN 78 Cb 0.00 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1x50 h ASN 78 CO 0.00 0.32 0.00 0.61 -1.29 0.00 0.00 177.43 177.07 1x50 n GLY 79 N 0.99 0.68 2.73 1.57 0.00 -0.77 -5.08 105.19 105.31 1x50 n GLY 79 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.86 0.23 -0.34 2.61 -4.23 -1.23 -4.81 115.64 107.01 1x50 s THR 80 Ca 0.00 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.51 1x50 s THR 80 Cb 0.00 -0.49 -0.00 0.00 1.34 0.00 0.00 72.50 73.35 1x50 s THR 80 CO 0.00 0.15 0.20 -0.69 -0.54 0.00 0.00 174.62 173.74 1x50 s VAL 81 N 2.03 4.88 0.22 2.29 1.01 -1.26 -2.93 120.40 126.64 1x50 s VAL 81 Ca 0.04 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1x50 s VAL 81 Cb -0.13 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1x50 s VAL 81 CO -0.05 -0.04 0.77 -0.69 0.00 0.00 0.00 175.10 175.09 1x50 s VAL 82 N 1.65 4.47 -0.11 2.92 1.01 -1.02 -4.21 120.40 125.10 1x50 s VAL 82 Ca 0.05 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.51 1x50 s VAL 82 Cb -0.18 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1x50 s VAL 82 CO 0.08 0.28 -0.15 -0.13 0.00 0.00 0.00 175.10 175.18 1x50 s ARG 83 N -1.77 2.19 0.33 2.72 3.00 0.54 -1.67 118.95 124.28 1x50 s ARG 83 Ca 0.42 -0.55 0.04 0.00 0.00 0.00 0.00 55.73 55.65 1x50 s ARG 83 Cb -0.19 -1.88 -0.03 0.00 0.00 0.00 0.00 34.95 32.85 1x50 s ARG 83 CO 0.23 -0.08 0.19 -0.80 0.00 0.00 0.00 175.30 174.83 1x50 s ASN 84 N 1.05 1.73 -0.28 0.23 -0.87 0.01 -0.46 114.94 116.34 1x50 s ASN 84 Ca -0.05 -1.63 0.01 0.00 -1.57 0.00 0.00 52.86 49.62 1x50 s ASN 84 Cb -0.15 0.46 0.17 0.00 -0.02 0.00 0.00 41.25 41.72 1x50 s ASN 84 CO -0.02 -0.95 0.50 -0.55 -2.57 0.00 0.00 177.10 173.51 1x50 s SER 85 N -3.40 -0.66 -0.33 -1.22 0.15 -1.26 0.22 113.70 107.19 1x50 s SER 85 Ca 0.35 0.25 -0.29 0.00 0.70 0.00 0.00 55.95 56.97 1x50 s SER 85 Cb 0.04 1.64 0.01 0.00 -1.71 0.00 0.00 66.02 66.00 1x50 s SER 85 CO 0.20 -0.30 1.24 -0.22 1.20 0.00 0.00 173.24 175.36 1x50 s LEU 86 N 2.71 3.84 0.42 3.45 2.96 -0.11 -0.50 118.68 131.44 1x50 s LEU 86 Ca 0.14 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1x50 s LEU 86 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -1.09 0.65 -0.76 -1.32 0.00 0.00 176.35 173.60 1x50 s LEU 87 N 4.31 3.78 -0.88 -0.68 1.43 0.70 0.50 118.68 127.84 1x50 s LEU 87 Ca 0.53 0.48 -0.33 0.00 -1.03 0.00 0.00 54.13 53.78 1x50 s LEU 87 Cb -0.14 -3.36 -0.21 0.00 0.03 0.00 0.00 46.19 42.51 1x50 s LEU 87 CO 0.23 -0.53 2.58 0.59 0.23 0.00 0.00 176.35 179.46 1x50 n ASN 88 N -2.01 0.50 0.00 2.29 3.02 -1.26 0.20 115.26 118.00 1x50 n ASN 88 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1x50 n ASN 88 Cb 0.57 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 6.64 0.34 3.52 7.41 0.00 -1.26 -4.91 105.19 116.92 1x50 n GLY 89 Ca 0.62 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.30 2.93 0.19 1.61 0.15 0.54 -5.08 113.70 111.75 1x50 s SER 90 Ca 0.00 -1.40 0.07 0.00 0.70 0.00 0.00 55.95 55.32 1x50 s SER 90 Cb 0.00 -0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1x50 s SER 90 CO 0.00 -0.58 -0.12 0.26 1.20 0.00 0.00 173.24 174.00 1x50 s TRP 91 N -3.09 1.59 0.00 3.44 0.52 -1.26 0.25 118.94 120.39 1x50 s TRP 91 Ca 0.35 -0.65 0.00 0.00 0.02 0.00 0.00 56.10 55.82 1x50 s TRP 91 Cb 0.09 -0.78 0.00 0.00 -1.15 0.00 0.00 33.47 31.63 1x50 s TRP 91 CO 0.16 0.26 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1x50 n GLY 92 N -0.34 0.77 3.81 0.98 0.00 0.34 -4.73 105.19 106.02 1x50 n GLY 92 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.23 1.61 0.01 -1.26 -4.96 113.70 107.79 1x50 s SER 93 Ca 0.00 -0.54 -0.14 0.00 1.31 0.00 0.00 55.95 56.59 1x50 s SER 93 Cb 0.00 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 1x50 s SER 93 CO 0.00 -0.93 0.31 -1.61 0.41 0.00 0.00 173.24 171.42 1x50 s GLU 94 N -2.68 4.09 -0.20 12.44 2.02 -1.26 -3.81 118.70 129.30 1x50 s GLU 94 Ca 0.17 -0.01 0.01 0.00 0.02 0.00 0.00 54.97 55.16 1x50 s GLU 94 Cb -0.02 -3.57 0.04 0.00 0.10 0.00 0.00 34.13 30.68 1x50 s GLU 94 CO 0.04 -0.07 -0.15 -1.21 0.02 0.00 0.00 175.26 173.88 1x50 s GLU 95 N 1.44 2.51 -0.16 1.61 0.41 0.39 -4.88 118.70 120.03 1x50 s GLU 95 Ca 0.14 -0.95 0.02 0.00 -0.41 0.00 0.00 54.97 53.77 1x50 s GLU 95 Cb -0.15 -2.58 0.02 0.00 -1.78 0.00 0.00 34.13 29.64 1x50 s GLU 95 CO 0.08 -0.36 -0.20 0.15 -0.49 0.00 0.00 175.26 174.44 1x50 s LYS 96 N 1.28 2.89 -0.30 1.61 1.02 -1.26 -0.34 119.74 124.64 1x50 s LYS 96 Ca -0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 1x50 s LYS 96 Cb -0.16 -2.44 0.18 0.00 -0.52 0.00 0.00 37.83 34.90 1x50 s LYS 96 CO -0.10 -0.13 1.08 0.21 -0.92 0.00 0.00 175.35 175.50 1x50 s LYS 97 N 1.11 0.14 -0.04 1.68 2.47 -1.26 -5.06 119.74 118.78 1x50 s LYS 97 Ca -0.00 0.19 -0.11 0.00 -1.56 0.00 0.00 55.97 54.49 1x50 s LYS 97 Cb -0.14 0.10 0.02 0.00 -1.46 0.00 0.00 37.83 36.35 1x50 s LYS 97 CO -0.08 -0.20 0.25 -1.50 0.16 0.00 0.00 175.35 173.99 1x50 s ILE 98 N 2.96 0.04 -0.07 5.43 2.07 -1.26 -4.66 121.20 125.72 1x50 s ILE 98 Ca 0.10 -0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 58.76 1x50 s ILE 98 Cb -0.06 -0.49 -0.30 0.00 0.13 0.00 0.00 42.46 41.74 1x50 s ILE 98 CO -0.16 -0.20 0.81 0.00 -1.91 0.00 0.00 174.94 173.48 1x50 h THR 99 N 4.26 1.43 -3.01 4.00 1.03 -1.85 -3.47 112.91 115.29 1x50 h THR 99 Ca -0.29 -2.50 -0.15 0.00 -0.01 0.00 0.00 66.41 63.47 1x50 h THR 99 Cb 1.19 3.10 -0.24 0.00 -1.07 0.00 0.00 68.15 71.13 1x50 h THR 99 CO 0.38 0.70 -0.35 -1.38 -0.01 0.00 0.00 175.52 174.86 1x50 s HIS 100 N -2.42 -0.31 -0.50 0.00 0.00 -1.26 -5.12 115.29 105.67 1x50 s HIS 100 Ca -0.15 0.74 -0.14 0.00 -3.00 0.00 0.00 55.06 52.50 1x50 s HIS 100 Cb 0.01 0.11 0.11 0.00 -4.00 0.00 0.00 32.58 28.81 1x50 s HIS 100 CO 0.81 -0.19 0.42 1.21 -1.00 0.00 0.00 174.74 175.99 1x50 s ASN 101 N -0.03 6.05 0.33 7.38 3.84 -1.26 -4.92 114.94 126.33 1x50 s ASN 101 Ca -0.02 -1.63 0.13 0.00 0.21 0.00 0.00 52.86 51.54 1x50 s ASN 101 Cb -0.03 -2.15 0.58 0.00 -0.55 0.00 0.00 41.25 39.10 1x50 s ASN 101 CO 0.01 -0.74 1.74 1.55 -2.79 0.00 0.00 177.10 176.87 1x50 h PRO 102 N 8.74 0.00 -6.16 0.43 0.13 -1.99 -3.43 132.00 129.71 1x50 h PRO 102 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1x50 h PRO 102 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 1x50 h PRO 102 CO 0.94 0.47 1.34 1.19 -0.23 0.00 0.00 178.00 181.71 1x50 n PHE 103 N -3.92 2.19 -3.87 1.56 3.72 -1.26 -4.88 117.46 111.00 1x50 n PHE 103 Ca -0.01 -0.18 -0.12 0.00 -0.05 0.00 0.00 57.45 57.09 1x50 n PHE 103 Cb 0.50 -2.73 -0.14 0.00 -0.94 0.00 0.00 39.48 36.16 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 6.29 -0.00 -0.32 1.37 0.00 -1.26 -4.76 107.32 108.64 1x50 s GLY 104 Ca 0.96 0.01 -0.29 0.00 0.00 0.00 0.00 44.72 45.41 1x50 s GLY 104 CO 0.41 0.02 1.68 2.56 0.00 0.00 0.00 173.10 177.77 1x50 s PRO 105 N 0.02 3.49 0.00 2.90 0.04 -1.26 -2.30 135.00 137.89 1x50 s PRO 105 Ca -0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1x50 s PRO 105 Cb -0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1x50 s PRO 105 CO -0.00 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1x50 n GLY 106 N 5.19 0.72 2.94 0.56 0.00 -0.79 -4.83 105.19 108.99 1x50 n GLY 106 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.64 0.27 1.15 1.61 -2.07 -0.97 -5.02 119.66 113.99 1x50 s GLN 107 Ca 0.00 -0.22 -0.17 0.00 -1.82 0.00 0.00 55.36 53.15 1x50 s GLN 107 Cb 0.00 -0.20 0.26 0.00 -1.09 0.00 0.00 33.01 31.99 1x50 s GLN 107 CO 0.00 0.05 1.08 -0.59 -1.32 0.00 0.00 175.29 174.51 1x50 s PHE 108 N -0.35 1.03 -0.28 9.60 -0.12 -1.26 -3.62 117.98 122.98 1x50 s PHE 108 Ca -0.02 0.71 -0.18 0.00 -0.05 0.00 0.00 56.93 57.39 1x50 s PHE 108 Cb -0.03 -3.32 0.09 0.00 -0.63 0.00 0.00 43.02 39.12 1x50 s PHE 108 CO -0.00 -3.64 0.74 -0.59 -0.05 0.00 0.00 175.22 171.67 1x50 s PHE 109 N -2.90 -0.95 -0.43 3.49 -0.12 -1.21 -4.77 117.98 111.09 1x50 s PHE 109 Ca 0.69 1.96 -0.12 0.00 -0.05 0.00 0.00 56.93 59.41 1x50 s PHE 109 Cb -0.14 0.53 0.06 0.00 -0.63 0.00 0.00 43.02 42.84 1x50 s PHE 109 CO 0.57 -0.47 0.30 0.34 -0.05 0.00 0.00 175.22 175.92 1x50 s ASP 110 N 1.32 5.88 -0.09 1.98 2.15 -1.26 -3.36 116.67 123.29 1x50 s ASP 110 Ca -0.08 -1.30 -0.01 0.00 0.43 0.00 0.00 52.55 51.60 1x50 s ASP 110 Cb -0.05 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 1x50 s ASP 110 CO -0.15 -0.54 -0.04 -0.22 -0.17 0.00 0.00 175.17 174.05 1x50 s LEU 111 N 1.55 3.31 -0.17 -1.34 1.98 -0.46 -1.56 118.68 121.99 1x50 s LEU 111 Ca 0.03 0.01 -0.04 0.00 -2.89 0.00 0.00 54.13 51.24 1x50 s LEU 111 Cb -0.22 -1.74 0.08 0.00 0.66 0.00 0.00 46.19 44.96 1x50 s LEU 111 CO 0.05 0.34 0.23 -0.44 -1.89 0.00 0.00 176.35 174.63 1x50 s SER 112 N -0.65 1.03 -0.05 3.68 0.01 -0.21 0.72 113.70 118.24 1x50 s SER 112 Ca 0.10 0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 1x50 s SER 112 Cb -0.12 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 1x50 s SER 112 CO 0.02 -0.29 0.40 -0.63 0.41 0.00 0.00 173.24 173.14 1x50 s ILE 113 N 2.35 5.11 -0.22 1.44 1.09 0.21 -0.60 121.20 130.56 1x50 s ILE 113 Ca 0.05 0.81 -0.05 0.00 -1.10 0.00 0.00 60.65 60.36 1x50 s ILE 113 Cb -0.14 -3.71 -0.02 0.00 -1.06 0.00 0.00 42.46 37.53 1x50 s ILE 113 CO -0.10 0.51 -0.01 -0.13 -0.10 0.00 0.00 174.94 175.10 1x50 s ARG 114 N -0.55 3.47 -0.23 2.79 0.52 0.07 0.84 118.95 125.86 1x50 s ARG 114 Ca 0.23 -0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 54.68 1x50 s ARG 114 Cb -0.16 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 1x50 s ARG 114 CO 0.11 -0.16 0.51 0.00 0.02 0.00 0.00 175.30 175.79 1x50 n GLY 116 N 4.13 5.12 0.11 0.00 0.00 -1.18 -3.90 105.19 109.48 1x50 n GLY 116 Ca -0.04 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 2.82 0.14 0.99 4.77 -1.26 -4.42 117.00 120.04 1x50 n LEU 117 Ca 0.00 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 1x50 n LEU 117 Cb 0.00 -0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 1x50 n LEU 117 CO 0.00 0.70 -0.26 0.44 -1.33 0.00 0.00 177.39 176.93 1x50 h ASP 118 N -0.05 0.79 -5.71 -1.43 5.19 -1.99 -3.49 116.42 109.74 1x50 h ASP 118 Ca -0.31 -0.88 0.29 0.00 -0.62 0.00 0.00 57.03 55.50 1x50 h ASP 118 Cb 1.47 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 1x50 h ASP 118 CO -0.06 1.70 0.81 0.00 -3.12 0.00 0.00 179.24 178.56 1x50 s ARG 119 N -2.60 0.68 0.19 3.56 3.03 -1.26 -4.23 118.95 118.31 1x50 s ARG 119 Ca -0.09 -0.44 0.01 0.00 2.03 0.00 0.00 55.73 57.23 1x50 s ARG 119 Cb 0.04 0.19 -0.04 0.00 -1.03 0.00 0.00 34.95 34.11 1x50 s ARG 119 CO 0.93 -0.32 0.36 -0.06 -1.13 0.00 0.00 175.30 175.08 1x50 s PHE 120 N -2.03 3.48 -0.31 5.89 0.40 -0.95 -3.09 117.98 121.38 1x50 s PHE 120 Ca 0.28 0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1x50 s PHE 120 Cb -0.01 -1.78 0.10 0.00 0.51 0.00 0.00 43.02 41.83 1x50 s PHE 120 CO 0.01 0.42 0.09 0.15 0.70 0.00 0.00 175.22 176.59 1x50 s LYS 121 N -3.35 0.82 -0.11 0.44 1.02 -0.02 -2.80 119.74 115.74 1x50 s LYS 121 Ca 0.37 -1.15 -0.22 0.00 0.02 0.00 0.00 55.97 55.00 1x50 s LYS 121 Cb -0.11 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1x50 s LYS 121 CO 0.29 -0.96 0.64 0.08 -0.92 0.00 0.00 175.35 174.48 1x50 s VAL 122 N 1.54 5.07 0.12 3.17 1.01 -0.87 -0.75 120.40 129.69 1x50 s VAL 122 Ca 0.09 1.29 0.11 0.00 0.00 0.00 0.00 61.98 63.47 1x50 s VAL 122 Cb -0.17 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1x50 s VAL 122 CO -0.22 0.24 -0.26 -0.31 0.00 0.00 0.00 175.10 174.54 1x50 s TYR 123 N 1.01 2.25 -0.20 5.22 1.51 0.23 -0.92 117.35 126.45 1x50 s TYR 123 Ca 0.33 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1x50 s TYR 123 Cb -0.17 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.52 1x50 s TYR 123 CO 0.15 0.32 0.03 0.00 -1.11 0.00 0.00 175.55 174.93 1x50 s ALA 124 N -1.06 1.05 -1.60 3.71 0.00 0.07 -1.04 121.76 122.89 1x50 s ALA 124 Ca 0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1x50 s ALA 124 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1x50 s ALA 124 CO 0.06 -1.17 0.18 0.09 0.00 0.00 0.00 175.76 174.91 1x50 n ASN 125 N 5.03 -5.57 -0.38 0.00 3.02 -0.60 -2.02 115.26 114.74 1x50 n ASN 125 Ca -0.09 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1x50 n ASN 125 Cb 0.47 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 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 -1.12 0.88 2.92 7.41 0.00 -1.26 -5.07 105.19 108.94 1x50 n GLY 126 Ca -0.19 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.52 0.09 -0.31 1.61 -1.52 -0.85 -5.10 119.66 109.06 1x50 s GLN 127 Ca 0.00 0.41 -0.28 0.00 -1.95 0.00 0.00 55.36 53.54 1x50 s GLN 127 Cb 0.00 -0.18 -0.06 0.00 -0.22 0.00 0.00 33.01 32.54 1x50 s GLN 127 CO 0.00 -0.18 2.28 1.58 -0.25 0.00 0.00 175.29 178.72 1x50 n HIS 128 N 4.34 1.78 -0.00 0.91 -0.00 -1.26 -0.75 115.22 120.24 1x50 n HIS 128 Ca -0.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.72 57.44 1x50 n HIS 128 Cb 0.51 -2.69 -0.00 0.00 -0.00 0.00 0.00 29.99 27.81 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 16.18 -0.04 -7.65 0.27 5.85 -1.37 -3.44 115.31 125.13 1x50 h LEU 129 Ca -0.35 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.54 1x50 h LEU 129 Cb 1.25 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 1x50 h LEU 129 CO 1.02 0.15 0.48 0.72 -0.34 0.00 0.00 178.44 180.47 1x50 s PHE 130 N -1.45 -0.14 0.11 1.25 -0.12 -1.20 -3.56 117.98 112.87 1x50 s PHE 130 Ca -0.01 -0.16 0.08 0.00 -0.05 0.00 0.00 56.93 56.79 1x50 s PHE 130 Cb 0.00 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1x50 s PHE 130 CO 0.02 -0.83 -0.16 0.16 -0.05 0.00 0.00 175.22 174.36 1x50 s ASP 131 N -2.93 4.04 -0.29 1.98 1.47 -1.26 -2.04 116.67 117.64 1x50 s ASP 131 Ca 0.12 -0.50 0.01 0.00 1.18 0.00 0.00 52.55 53.36 1x50 s ASP 131 Cb -0.01 -0.64 0.06 0.00 -0.34 0.00 0.00 42.92 41.99 1x50 s ASP 131 CO 0.02 0.18 -0.03 0.12 0.68 0.00 0.00 175.17 176.14 1x50 s PHE 132 N -1.15 3.35 0.27 2.11 5.36 -1.12 -4.96 117.98 121.83 1x50 s PHE 132 Ca 0.19 -2.27 -0.30 0.00 -0.96 0.00 0.00 56.93 53.59 1x50 s PHE 132 Cb -0.11 -2.21 -0.11 0.00 -0.34 0.00 0.00 43.02 40.26 1x50 s PHE 132 CO 0.11 -0.87 1.51 0.00 -1.46 0.00 0.00 175.22 174.51 1x50 s ALA 133 N 1.13 3.68 -0.34 11.12 0.00 -1.26 -2.24 121.76 133.85 1x50 s ALA 133 Ca -0.04 1.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 1x50 s ALA 133 Cb -0.20 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1x50 s ALA 133 CO -0.04 -0.84 2.10 -1.01 0.00 0.00 0.00 175.76 175.96 1x50 s HIS 134 N 0.02 1.38 -0.20 0.00 0.09 -1.26 -4.83 115.29 110.49 1x50 s HIS 134 Ca 0.61 0.78 -0.20 0.00 -0.00 0.00 0.00 55.06 56.25 1x50 s HIS 134 Cb -0.44 -3.94 -0.20 0.00 -0.00 0.00 0.00 32.58 28.00 1x50 s HIS 134 CO 0.45 -3.31 0.24 0.00 -0.00 0.00 0.00 174.74 172.13 1x50 h ARG 135 N 15.24 0.03 -5.19 1.40 3.08 -1.90 -3.44 114.38 123.59 1x50 h ARG 135 Ca -0.34 -0.06 -0.67 0.00 0.07 0.00 0.00 59.98 58.98 1x50 h ARG 135 Cb 1.22 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 31.12 1x50 h ARG 135 CO 1.04 1.03 0.02 -1.17 -1.07 0.00 0.00 179.97 179.82 1x50 s LEU 136 N -7.78 4.67 0.46 3.04 2.96 -1.26 -4.93 118.68 115.84 1x50 s LEU 136 Ca -0.28 -0.52 0.24 0.00 -0.22 0.00 0.00 54.13 53.35 1x50 s LEU 136 Cb 0.06 -2.59 1.25 0.00 0.50 0.00 0.00 46.19 45.41 1x50 s LEU 136 CO 0.61 -0.74 1.84 -1.28 -1.32 0.00 0.00 176.35 175.46 1x50 h SER 137 N 8.86 0.26 -0.36 3.68 0.87 -2.01 0.28 113.55 125.13 1x50 h SER 137 Ca -0.26 0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.13 1x50 h SER 137 Cb 1.10 -0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 62.94 1x50 h SER 137 CO 0.88 0.08 0.27 0.00 -0.53 0.00 0.00 176.83 177.52 1x50 n ALA 138 N -2.59 4.05 -0.22 6.23 0.00 -1.26 -4.48 120.51 122.24 1x50 n ALA 138 Ca 0.21 -1.12 0.27 0.00 0.00 0.00 0.00 53.44 52.80 1x50 n ALA 138 Cb 0.87 -1.20 0.66 0.00 0.00 0.00 0.00 19.45 19.78 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 0.71 0.17 -0.48 0.00 -0.00 -0.82 0.11 116.94 116.64 1x50 h PHE 139 Ca 0.23 0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.26 1x50 h PHE 139 Cb 1.41 -0.05 -0.05 0.00 -0.00 0.00 0.00 35.95 37.26 1x50 h PHE 139 CO 0.61 0.03 0.20 -0.56 -0.00 0.00 0.00 178.31 178.59 1x50 h GLN 140 N 0.12 0.38 -0.84 6.09 3.07 -1.79 -2.03 115.11 120.11 1x50 h GLN 140 Ca 0.46 -0.02 0.21 0.00 0.09 0.00 0.00 58.65 59.39 1x50 h GLN 140 Cb 1.64 -0.09 -0.13 0.00 0.08 0.00 0.00 27.48 28.99 1x50 h GLN 140 CO -0.07 0.25 0.27 0.00 0.09 0.00 0.00 178.83 179.38 1x50 h ARG 141 N 0.39 0.29 -5.41 0.06 3.08 -1.29 -2.81 114.38 108.68 1x50 h ARG 141 Ca 0.22 -0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.68 1x50 h ARG 141 Cb 0.20 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1x50 h ARG 141 CO -0.20 0.19 1.61 0.28 -1.07 0.00 0.00 179.97 180.77 1x50 n VAL 142 N -5.14 0.01 -2.03 2.04 0.31 -0.76 -4.41 118.33 108.35 1x50 n VAL 142 Ca 0.19 -0.11 0.02 0.00 -0.01 0.00 0.00 64.34 64.43 1x50 n VAL 142 Cb 0.60 -0.87 0.12 0.00 -0.91 0.00 0.00 33.84 32.78 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 10.30 1.73 -3.70 4.52 8.00 -1.20 -2.39 116.55 133.82 1x50 n ASP 143 Ca 0.58 -3.12 -0.17 0.00 0.71 0.00 0.00 54.79 52.80 1x50 n ASP 143 Cb 0.09 -0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 40.60 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x50 s THR 144 N -2.26 -0.17 -0.28 -3.53 2.01 -0.24 -1.72 115.64 109.45 1x50 s THR 144 Ca 0.37 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1x50 s THR 144 Cb 0.38 -0.23 0.07 0.00 0.01 0.00 0.00 72.50 72.72 1x50 s THR 144 CO -0.09 0.13 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.68 1x50 s LEU 145 N 1.90 3.73 0.14 4.42 2.96 -0.48 -1.09 118.68 130.26 1x50 s LEU 145 Ca -0.00 -1.57 0.07 0.00 -0.22 0.00 0.00 54.13 52.40 1x50 s LEU 145 Cb -0.12 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1x50 s LEU 145 CO -0.05 -0.23 -0.02 -1.83 -1.32 0.00 0.00 176.35 172.89 1x50 s GLU 146 N 1.06 2.38 -0.14 1.98 -1.05 -0.92 -0.09 118.70 121.92 1x50 s GLU 146 Ca -0.04 -1.02 -0.04 0.00 -0.15 0.00 0.00 54.97 53.72 1x50 s GLU 146 Cb -0.20 -2.40 0.05 0.00 -0.44 0.00 0.00 34.13 31.15 1x50 s GLU 146 CO -0.06 0.49 0.08 0.42 0.95 0.00 0.00 175.26 177.14 1x50 s ILE 147 N -1.50 -0.05 0.39 1.83 1.01 -0.77 -2.53 121.20 119.58 1x50 s ILE 147 Ca 0.26 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1x50 s ILE 147 Cb -0.10 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 1x50 s ILE 147 CO 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 174.94 175.00 1x50 s GLN 148 N 2.13 1.87 0.00 2.79 0.00 -0.91 -1.88 119.66 123.65 1x50 s GLN 148 Ca 0.03 -2.07 0.00 0.00 -0.00 0.00 0.00 55.36 53.32 1x50 s GLN 148 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 33.01 31.58 1x50 s GLN 148 CO -0.07 -0.16 0.00 0.41 0.00 0.00 0.00 175.29 175.47 1x50 n GLY 149 N -0.89 0.21 3.11 2.60 0.00 -1.26 -0.66 105.19 108.30 1x50 n GLY 149 Ca -0.05 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 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 5.40 0.05 1.61 1.01 -0.10 -4.92 116.67 115.72 1x50 s ASP 150 Ca 0.00 -2.96 -0.12 0.00 0.71 0.00 0.00 52.55 50.17 1x50 s ASP 150 Cb 0.00 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 42.06 1x50 s ASP 150 CO 0.00 -0.35 0.27 0.54 0.21 0.00 0.00 175.17 175.83 1x50 s VAL 151 N -0.23 0.09 -0.49 -1.27 0.11 -1.26 -3.98 120.40 113.38 1x50 s VAL 151 Ca 0.18 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1x50 s VAL 151 Cb -0.18 -0.96 0.13 0.00 -1.53 0.00 0.00 36.38 33.84 1x50 s VAL 151 CO -0.05 -0.43 0.26 -0.89 -3.33 0.00 0.00 175.10 170.66 1x50 s THR 152 N -2.68 3.02 0.27 5.04 2.01 -0.17 -4.96 115.64 118.18 1x50 s THR 152 Ca -0.04 -2.73 -0.30 0.00 0.31 0.00 0.00 61.69 58.94 1x50 s THR 152 Cb -0.00 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1x50 s THR 152 CO -0.04 -0.76 1.05 -0.76 -0.69 0.00 0.00 174.62 173.43 1x50 s LEU 153 N 0.35 4.58 0.00 4.42 1.43 -1.26 0.41 118.68 128.60 1x50 s LEU 153 Ca 0.14 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1x50 s LEU 153 Cb -0.22 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1x50 s LEU 153 CO -0.04 -0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.29 1x50 n SER 154 N 1.29 2.71 -3.69 2.29 7.64 -0.47 -4.05 113.62 119.33 1x50 n SER 154 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.74 1x50 n SER 154 Cb 0.45 0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.61 -0.39 -0.22 1.43 6.14 -0.20 -2.33 117.35 120.17 1x50 s TYR 155 Ca 0.00 0.90 -0.04 0.00 0.64 0.00 0.00 57.07 58.57 1x50 s TYR 155 Cb 0.00 0.02 0.07 0.00 0.42 0.00 0.00 41.96 42.47 1x50 s TYR 155 CO 0.00 -0.30 0.10 0.08 0.64 0.00 0.00 175.55 176.07 1x50 s VAL 156 N 1.84 0.04 -0.00 3.14 1.01 -1.25 -0.89 120.40 124.28 1x50 s VAL 156 Ca -0.04 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1x50 s VAL 156 Cb -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1x50 s VAL 156 CO -0.09 -0.43 -0.25 -1.58 0.00 0.00 0.00 175.10 172.74 1x50 s GLN 157 N 2.07 2.05 -0.50 2.72 0.74 -1.17 -3.10 119.66 122.47 1x50 s GLN 157 Ca 0.04 -0.97 -0.06 0.00 0.05 0.00 0.00 55.36 54.43 1x50 s GLN 157 Cb -0.16 -2.04 0.13 0.00 1.10 0.00 0.00 33.01 32.04 1x50 s GLN 157 CO -0.19 0.55 0.34 0.42 -0.55 0.00 0.00 175.29 175.86 1x50 s ILE 158 N -0.67 3.83 0.31 -2.34 1.01 -1.26 -2.57 121.20 119.51 1x50 s ILE 158 Ca 0.11 -2.20 -0.26 0.00 0.00 0.00 0.00 60.65 58.30 1x50 s ILE 158 Cb -0.10 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 1x50 s ILE 158 CO -0.00 -0.78 0.71 -0.24 0.00 0.00 0.00 174.94 174.63 1x50 n SER 159 N 4.41 -0.18 -4.62 3.58 2.88 -0.59 -4.94 113.62 114.16 1x50 n SER 159 Ca -0.01 1.07 -0.24 0.00 -1.33 0.00 0.00 58.87 58.36 1x50 n SER 159 Cb 0.41 -1.13 0.12 0.00 -0.75 0.00 0.00 64.21 62.85 1x50 n SER 159 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x50 s GLY 160 N -0.81 1.76 0.42 0.46 0.00 -1.26 -4.05 107.32 103.84 1x50 s GLY 160 Ca 0.62 -1.68 0.29 0.00 0.00 0.00 0.00 44.72 43.95 1x50 s GLY 160 CO 0.58 -1.09 1.87 -0.56 0.00 0.00 0.00 173.10 173.90 1x50 h PRO 161 N -0.64 0.00 -4.43 2.90 0.13 -1.94 -3.43 132.00 124.60 1x50 h PRO 161 Ca -0.37 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.32 1x50 h PRO 161 Cb 1.26 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.07 1x50 h PRO 161 CO 0.40 0.00 -0.79 -1.12 -0.23 0.00 0.00 178.00 176.26 1x50 s SER 162 N -5.02 1.22 -0.04 1.44 0.01 -1.26 -4.90 113.70 105.15 1x50 s SER 162 Ca 0.02 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1x50 s SER 162 Cb 0.09 -0.44 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1x50 s SER 162 CO 0.47 0.03 -0.07 -0.55 0.41 0.00 0.00 173.24 173.53 1x50 s SER 163 N 0.46 1.11 0.00 2.44 0.15 -1.26 -5.16 113.70 111.45 1x50 s SER 163 Ca -0.07 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1x50 s SER 163 Cb -0.11 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1x50 s SER 163 CO 0.01 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07