#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 -0.77 -0.28 1.61 0.15 -1.26 -5.17 113.70 107.98 1x50 s SER 2 Ca 0.00 1.33 -0.21 0.00 0.70 0.00 0.00 55.95 57.77 1x50 s SER 2 Cb 0.00 1.34 0.13 0.00 -1.71 0.00 0.00 66.02 65.77 1x50 s SER 2 CO 0.00 -0.22 0.98 -0.55 1.20 0.00 0.00 173.24 174.65 1x50 s SER 3 N 1.01 -0.52 0.00 5.45 0.15 -1.26 -5.14 113.70 113.40 1x50 s SER 3 Ca -0.05 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1x50 s SER 3 Cb -0.05 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1x50 s SER 3 CO -0.11 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1x50 n GLY 4 N 2.93 1.85 3.07 9.45 0.00 -1.26 -5.14 105.19 116.08 1x50 n GLY 4 Ca -0.15 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1x50 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 5 N 0.00 -0.23 -0.25 1.61 0.01 -1.26 -5.13 113.70 108.44 1x50 s SER 5 Ca 0.00 0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1x50 s SER 5 Cb 0.00 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1x50 s SER 5 CO 0.00 -0.11 -0.09 -0.44 0.41 0.00 0.00 173.24 173.00 1x50 s SER 6 N 0.62 4.28 0.00 2.44 0.01 -1.26 -5.05 113.70 114.73 1x50 s SER 6 Ca -0.04 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1x50 s SER 6 Cb -0.06 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1x50 s SER 6 CO -0.03 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x50 n GLY 7 N 4.50 3.64 3.12 3.44 0.00 -1.26 -5.18 105.19 113.44 1x50 n GLY 7 Ca -0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1x50 n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x50 s HIS 8 N -0.31 0.51 0.11 1.61 0.09 -1.26 -5.16 115.29 110.88 1x50 s HIS 8 Ca 0.00 -1.02 -0.01 0.00 -0.00 0.00 0.00 55.06 54.04 1x50 s HIS 8 Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 32.58 32.19 1x50 s HIS 8 CO 0.00 -0.43 0.27 -0.65 -0.00 0.00 0.00 174.74 173.94 1x50 s GLN 9 N -3.93 3.48 -0.43 1.40 -1.52 -1.26 -5.08 119.66 112.33 1x50 s GLN 9 Ca 0.09 -0.39 -0.07 0.00 -1.95 0.00 0.00 55.36 53.04 1x50 s GLN 9 Cb 0.07 -2.97 0.10 0.00 -0.22 0.00 0.00 33.01 29.99 1x50 s GLN 9 CO -0.08 0.54 0.26 -0.65 -0.25 0.00 0.00 175.29 175.11 1x50 s GLN 10 N -2.76 2.43 0.05 2.91 1.11 -1.26 -5.06 119.66 117.08 1x50 s GLN 10 Ca 0.36 -1.62 -0.03 0.00 0.01 0.00 0.00 55.36 54.08 1x50 s GLN 10 Cb -0.12 -3.76 -0.03 0.00 -1.01 0.00 0.00 33.01 28.09 1x50 s GLN 10 CO 0.28 -1.04 0.03 -0.51 0.01 0.00 0.00 175.29 174.05 1x50 s LEU 11 N 1.34 2.16 -0.18 2.90 1.43 -1.26 -5.04 118.68 120.03 1x50 s LEU 11 Ca 0.05 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1x50 s LEU 11 Cb -0.24 0.39 -0.02 0.00 0.03 0.00 0.00 46.19 46.34 1x50 s LEU 11 CO -0.00 -0.56 2.71 -0.46 0.23 0.00 0.00 176.35 178.27 1x50 n ASN 12 N 0.44 5.83 -4.90 2.29 6.94 -1.26 -4.92 115.26 119.68 1x50 n ASN 12 Ca -0.17 -2.76 -0.28 0.00 -0.02 0.00 0.00 54.58 51.35 1x50 n ASN 12 Cb 0.60 -1.23 -0.02 0.00 -2.36 0.00 0.00 39.78 36.77 1x50 n ASN 12 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1x50 s SER 13 N 1.21 6.37 0.59 0.53 0.01 -1.26 -5.02 113.70 116.14 1x50 s SER 13 Ca 0.42 0.90 -0.18 0.00 1.31 0.00 0.00 55.95 58.40 1x50 s SER 13 Cb 0.25 -2.23 -0.13 0.00 0.21 0.00 0.00 66.02 64.12 1x50 s SER 13 CO -0.05 -0.43 -0.03 0.18 0.41 0.00 0.00 173.24 173.31 1x50 n LEU 14 N -1.71 -2.75 -4.77 2.44 4.77 -1.26 -4.91 117.00 108.80 1x50 n LEU 14 Ca 0.00 0.61 -0.31 0.00 -0.03 0.00 0.00 56.01 56.28 1x50 n LEU 14 Cb 0.55 -0.93 0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1x50 n LEU 14 CO 0.50 -4.48 0.70 -2.16 -1.33 0.00 0.00 177.39 170.63 1x50 s PRO 15 N -1.48 2.31 0.18 3.23 0.04 -1.26 -5.02 135.00 133.00 1x50 s PRO 15 Ca 0.58 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1x50 s PRO 15 Cb -0.44 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1x50 s PRO 15 CO 0.65 -1.61 0.83 -0.08 0.04 0.00 0.00 177.00 176.84 1x50 s THR 16 N -2.84 4.30 -0.43 1.26 -1.32 -1.26 -4.96 115.64 110.39 1x50 s THR 16 Ca 0.62 1.82 -0.02 0.00 -1.21 0.00 0.00 61.69 62.90 1x50 s THR 16 Cb -0.18 -4.20 0.22 0.00 -1.51 0.00 0.00 72.50 66.84 1x50 s THR 16 CO 0.54 0.50 2.20 1.15 -2.21 0.00 0.00 174.62 176.80 1x50 n MET 17 N 1.66 2.13 -1.14 7.08 0.00 -1.26 -4.98 117.12 120.61 1x50 n MET 17 Ca -0.04 -2.11 -0.32 0.00 0.00 0.00 0.00 57.70 55.22 1x50 n MET 17 Cb 0.48 -1.88 0.12 0.00 0.00 0.00 0.00 33.22 31.94 1x50 n MET 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1x50 s GLU 18 N -2.22 1.79 0.00 3.17 -1.05 -1.26 -4.75 118.70 114.38 1x50 s GLU 18 Ca 0.44 1.51 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 1x50 s GLU 18 Cb 0.33 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 32.20 1x50 s GLU 18 CO -0.07 -2.05 0.00 0.41 0.95 0.00 0.00 175.26 174.50 1x50 n GLY 19 N -0.12 0.49 3.70 -3.83 0.00 -1.26 -5.03 105.19 99.13 1x50 n GLY 19 Ca 0.12 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 0.88 1.24 1.61 0.04 -1.26 -5.05 135.00 132.46 1x50 s PRO 20 Ca 0.00 0.69 -0.20 0.00 0.04 0.00 0.00 61.00 61.53 1x50 s PRO 20 Cb 0.00 -1.78 0.30 0.00 0.04 0.00 0.00 34.50 33.07 1x50 s PRO 20 CO 0.00 -2.46 1.11 -1.25 0.04 0.00 0.00 177.00 174.44 1x50 s PRO 21 N -4.95 -1.49 0.22 0.56 0.04 -1.26 -5.05 135.00 123.08 1x50 s PRO 21 Ca 0.64 -0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.47 1x50 s PRO 21 Cb -0.18 -1.57 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 1x50 s PRO 21 CO 0.57 -3.87 0.49 0.99 0.04 0.00 0.00 177.00 175.22 1x50 s THR 22 N -3.01 5.05 -0.15 1.26 2.01 -1.18 -5.03 115.64 114.60 1x50 s THR 22 Ca 0.72 0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.75 1x50 s THR 22 Cb -0.08 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1x50 s THR 22 CO 0.56 -0.14 0.36 -0.36 -0.69 0.00 0.00 174.62 174.35 1x50 s PHE 23 N -1.87 -0.49 -1.45 4.92 0.40 -1.26 -3.67 117.98 114.56 1x50 s PHE 23 Ca 0.44 1.10 -0.05 0.00 -0.60 0.00 0.00 56.93 57.81 1x50 s PHE 23 Cb -0.11 0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.64 1x50 s PHE 23 CO 0.26 -0.28 0.67 0.09 0.70 0.00 0.00 175.22 176.66 1x50 n ASN 24 N 3.91 -1.89 -4.75 1.36 3.02 0.02 -4.90 115.26 112.02 1x50 n ASN 24 Ca -0.21 -0.91 -0.41 0.00 -0.03 0.00 0.00 54.58 53.02 1x50 n ASN 24 Cb 0.55 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.22 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x50 s PRO 25 N -6.45 4.43 1.25 3.52 0.04 -1.24 -5.00 135.00 131.54 1x50 s PRO 25 Ca 0.24 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 1x50 s PRO 25 Cb -0.13 -3.16 0.31 0.00 0.04 0.00 0.00 34.50 31.57 1x50 s PRO 25 CO 0.86 -0.14 1.11 -1.25 0.04 0.00 0.00 177.00 177.62 1x50 s PRO 26 N -0.85 -1.64 -0.01 0.56 0.04 -1.26 -4.44 135.00 127.40 1x50 s PRO 26 Ca 0.52 -0.21 -0.00 0.00 0.04 0.00 0.00 61.00 61.34 1x50 s PRO 26 Cb -0.36 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1x50 s PRO 26 CO 0.43 -3.96 0.01 0.08 0.04 0.00 0.00 177.00 173.60 1x50 s VAL 27 N -3.01 -0.01 0.43 -0.36 1.01 -1.26 -3.02 120.40 114.17 1x50 s VAL 27 Ca 0.72 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1x50 s VAL 27 Cb -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 36.38 36.19 1x50 s VAL 27 CO 0.56 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.69 1x50 s PRO 28 N 0.20 3.91 -0.26 2.72 0.04 -1.26 -5.04 135.00 135.31 1x50 s PRO 28 Ca -0.02 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1x50 s PRO 28 Cb -0.02 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1x50 s PRO 28 CO -0.01 -0.44 0.29 -0.47 0.04 0.00 0.00 177.00 176.42 1x50 s TYR 29 N -1.46 3.26 -0.44 0.56 6.14 -0.20 -4.93 117.35 120.29 1x50 s TYR 29 Ca 0.60 0.32 -0.08 0.00 0.64 0.00 0.00 57.07 58.55 1x50 s TYR 29 Cb -0.30 -2.46 0.10 0.00 0.42 0.00 0.00 41.96 39.72 1x50 s TYR 29 CO 0.38 -0.14 0.29 -0.06 0.64 0.00 0.00 175.55 176.66 1x50 s PHE 30 N 1.73 3.42 -0.34 4.97 0.08 -1.26 -0.99 117.98 125.60 1x50 s PHE 30 Ca 0.12 -1.87 0.00 0.00 0.12 0.00 0.00 56.93 55.30 1x50 s PHE 30 Cb -0.15 -3.27 0.08 0.00 -0.57 0.00 0.00 43.02 39.11 1x50 s PHE 30 CO 0.09 -0.94 0.06 0.20 -0.10 0.00 0.00 175.22 174.52 1x50 s GLY 31 N 2.34 1.86 0.09 4.36 0.00 -0.42 -5.01 107.32 110.54 1x50 s GLY 31 Ca 0.05 -2.18 -0.31 0.00 0.00 0.00 0.00 44.72 42.28 1x50 s GLY 31 CO -0.01 0.84 1.25 1.09 0.00 0.00 0.00 173.10 176.28 1x50 s ARG 32 N 1.11 4.40 0.44 2.90 1.04 -1.26 -1.34 118.95 126.25 1x50 s ARG 32 Ca 0.02 1.87 -0.22 0.00 -1.04 0.00 0.00 55.73 56.36 1x50 s ARG 32 Cb -0.20 -3.31 -0.08 0.00 -2.04 0.00 0.00 34.95 29.31 1x50 s ARG 32 CO -0.04 -0.29 1.06 -0.51 -0.04 0.00 0.00 175.30 175.48 1x50 s LEU 33 N 0.95 4.01 -0.72 -1.89 1.43 0.50 -4.84 118.68 118.12 1x50 s LEU 33 Ca 0.60 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 55.67 1x50 s LEU 33 Cb -0.32 -4.33 0.19 0.00 0.03 0.00 0.00 46.19 41.76 1x50 s LEU 33 CO 0.30 -0.67 0.58 -1.10 0.23 0.00 0.00 176.35 175.70 1x50 s GLN 34 N -2.79 3.00 0.00 1.70 -0.21 -1.26 -4.57 119.66 115.53 1x50 s GLN 34 Ca 0.62 -2.56 0.00 0.00 0.02 0.00 0.00 55.36 53.44 1x50 s GLN 34 Cb -0.21 -4.00 0.00 0.00 1.00 0.00 0.00 33.01 29.80 1x50 s GLN 34 CO 0.26 -1.22 0.00 0.41 -2.12 0.00 0.00 175.29 172.62 1x50 n GLY 35 N 3.57 3.95 0.00 3.09 0.00 -1.26 -4.95 105.19 109.59 1x50 n GLY 35 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 2.49 3.50 -0.02 0.00 -1.26 -4.94 105.19 104.96 1x50 n GLY 36 Ca 0.00 -1.90 -0.49 0.00 0.00 0.00 0.00 46.02 43.63 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 2.48 -4.33 0.99 4.77 -0.84 -4.92 117.00 115.14 1x50 n LEU 37 Ca 0.00 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.21 1x50 n LEU 37 Cb 0.00 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 39.65 1x50 n LEU 37 CO 0.00 -0.68 -0.25 0.28 -1.33 0.00 0.00 177.39 175.41 1x50 s THR 38 N 7.33 0.61 0.22 -5.08 -1.32 -1.26 -3.69 115.64 112.45 1x50 s THR 38 Ca 1.06 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 59.46 1x50 s THR 38 Cb -0.73 -2.64 0.19 0.00 -1.51 0.00 0.00 72.50 67.81 1x50 s THR 38 CO 0.46 0.00 1.88 0.00 -2.21 0.00 0.00 174.62 174.75 1x50 h ALA 39 N 2.34 1.06 -0.74 11.08 0.00 -1.74 -2.75 119.26 128.50 1x50 h ALA 39 Ca -0.38 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 53.86 1x50 h ALA 39 Cb 1.25 -0.30 -0.21 0.00 0.00 0.00 0.00 17.79 18.52 1x50 h ALA 39 CO 0.61 0.40 0.79 0.54 0.00 0.00 0.00 179.25 181.59 1x50 n ARG 40 N -4.55 2.80 -3.91 0.00 3.00 -1.26 -4.56 116.66 108.18 1x50 n ARG 40 Ca 0.09 -2.95 -0.14 0.00 -0.01 0.00 0.00 57.85 54.84 1x50 n ARG 40 Cb 0.05 -2.23 -0.15 0.00 0.00 0.00 0.00 32.46 30.13 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 -2.67 0.12 -0.03 5.56 3.52 -1.04 -4.16 118.95 120.25 1x50 s ARG 41 Ca 0.55 0.01 -0.01 0.00 -0.13 0.00 0.00 55.73 56.16 1x50 s ARG 41 Cb 0.38 -0.19 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1x50 s ARG 41 CO -0.28 -0.03 0.04 0.99 -0.81 0.00 0.00 175.30 175.20 1x50 s THR 42 N 0.33 -0.03 -0.07 4.11 2.01 -1.20 -1.89 115.64 118.90 1x50 s THR 42 Ca -0.03 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1x50 s THR 42 Cb -0.05 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1x50 s THR 42 CO -0.01 0.14 0.29 -0.63 -0.69 0.00 0.00 174.62 173.72 1x50 s ILE 43 N 1.59 5.25 -0.02 1.82 1.09 0.14 -1.49 121.20 129.58 1x50 s ILE 43 Ca -0.02 0.55 0.03 0.00 -1.10 0.00 0.00 60.65 60.11 1x50 s ILE 43 Cb -0.13 -3.58 -0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1x50 s ILE 43 CO -0.03 0.57 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.65 1x50 s ILE 44 N -0.87 0.86 -0.22 2.92 1.01 -1.11 0.35 121.20 124.14 1x50 s ILE 44 Ca 0.19 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1x50 s ILE 44 Cb -0.14 -0.73 0.07 0.00 0.01 0.00 0.00 42.46 41.66 1x50 s ILE 44 CO 0.08 0.25 0.06 -0.63 0.00 0.00 0.00 174.94 174.71 1x50 s ILE 45 N -0.09 0.44 -0.33 2.92 1.01 0.13 -3.47 121.20 121.81 1x50 s ILE 45 Ca 0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1x50 s ILE 45 Cb -0.06 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.38 1x50 s ILE 45 CO -0.00 -0.34 0.12 -0.54 0.00 0.00 0.00 174.94 174.18 1x50 s LYS 46 N 1.88 2.82 0.00 2.79 1.02 0.14 -1.79 119.74 126.60 1x50 s LYS 46 Ca 0.02 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1x50 s LYS 46 Cb -0.17 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1x50 s LYS 46 CO -0.14 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1x50 n GLY 47 N 4.87 5.12 3.49 -3.33 0.00 -1.24 -0.51 105.19 113.58 1x50 n GLY 47 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.05 -0.58 -0.26 1.61 6.14 0.16 -3.46 117.35 122.01 1x50 s TYR 48 Ca 0.00 1.06 -0.29 0.00 0.64 0.00 0.00 57.07 58.48 1x50 s TYR 48 Cb 0.00 0.35 -0.01 0.00 0.42 0.00 0.00 41.96 42.72 1x50 s TYR 48 CO 0.00 -0.29 1.41 0.08 0.64 0.00 0.00 175.55 177.39 1x50 s VAL 49 N 1.99 3.99 0.67 3.14 1.01 -1.13 -1.30 120.40 128.77 1x50 s VAL 49 Ca -0.05 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 1x50 s VAL 49 Cb -0.05 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1x50 s VAL 49 CO -0.16 -0.39 1.11 -2.16 0.00 0.00 0.00 175.10 173.50 1x50 s PRO 50 N 4.31 2.75 0.20 2.72 0.04 -1.26 -0.46 135.00 143.29 1x50 s PRO 50 Ca 0.62 1.37 0.21 0.00 0.04 0.00 0.00 61.00 63.24 1x50 s PRO 50 Cb -0.20 -1.95 0.90 0.00 0.04 0.00 0.00 34.50 33.29 1x50 s PRO 50 CO 0.25 -1.29 1.65 -0.35 0.04 0.00 0.00 177.00 177.30 1x50 n PRO 51 N -2.52 0.15 -0.27 0.56 -0.04 -1.26 -2.18 135.00 129.44 1x50 n PRO 51 Ca 0.10 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 1x50 n PRO 51 Cb 0.52 -1.79 0.19 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.07 1.57 -4.02 0.52 -2.24 -1.26 -4.95 114.28 101.83 1x50 n THR 52 Ca 0.02 -1.41 -0.35 0.00 -2.27 0.00 0.00 64.05 60.04 1x50 n THR 52 Cb 0.21 0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.46 1.64 0.03 3.38 0.00 -0.93 -5.02 107.32 104.97 1x50 s GLY 53 Ca 0.30 -1.10 -0.31 0.00 0.00 0.00 0.00 44.72 43.62 1x50 s GLY 53 CO 0.12 0.33 1.28 0.50 0.00 0.00 0.00 173.10 175.33 1x50 h LYS 54 N 7.83 -1.05 -1.66 2.90 1.57 -1.87 -3.44 116.57 120.85 1x50 h LYS 54 Ca -0.39 0.07 0.20 0.00 -1.87 0.00 0.00 60.65 58.67 1x50 h LYS 54 Cb 1.17 0.24 -0.19 0.00 0.08 0.00 0.00 32.23 33.53 1x50 h LYS 54 CO 0.60 -0.70 0.71 -1.54 -0.57 0.00 0.00 179.45 177.95 1x50 s SER 55 N -4.30 -0.21 0.14 0.86 1.04 -1.26 -4.18 113.70 105.79 1x50 s SER 55 Ca -0.16 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1x50 s SER 55 Cb 0.02 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1x50 s SER 55 CO 0.49 -0.33 0.07 2.22 0.98 0.00 0.00 173.24 176.67 1x50 n PHE 56 N -0.01 -0.65 -3.68 5.02 -1.74 -1.25 -1.81 117.46 113.34 1x50 n PHE 56 Ca -0.03 -0.65 -0.14 0.00 -0.56 0.00 0.00 57.45 56.07 1x50 n PHE 56 Cb 0.59 -0.11 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 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 -2.22 -1.39 -0.31 1.98 0.00 0.42 -3.72 121.76 116.51 1x50 s ALA 57 Ca 0.05 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1x50 s ALA 57 Cb -0.00 -0.83 0.10 0.00 0.00 0.00 0.00 23.12 22.38 1x50 s ALA 57 CO 0.03 -0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.01 1x50 s ILE 58 N 0.15 1.43 0.14 0.00 1.01 0.66 -1.78 121.20 122.81 1x50 s ILE 58 Ca -0.01 -1.70 0.03 0.00 0.00 0.00 0.00 60.65 58.97 1x50 s ILE 58 Cb -0.04 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1x50 s ILE 58 CO 0.01 -0.58 0.19 0.20 0.00 0.00 0.00 174.94 174.76 1x50 s ASN 59 N 1.35 5.89 -0.32 3.58 0.01 -0.90 -2.03 114.94 122.51 1x50 s ASN 59 Ca 0.08 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.29 1x50 s ASN 59 Cb -0.18 -1.66 0.09 0.00 0.41 0.00 0.00 41.25 39.91 1x50 s ASN 59 CO -0.17 0.08 0.03 -0.36 -1.51 0.00 0.00 177.10 175.17 1x50 s PHE 60 N -1.69 3.26 0.47 2.20 0.40 0.13 -1.78 117.98 120.97 1x50 s PHE 60 Ca 0.32 -2.62 0.03 0.00 -0.60 0.00 0.00 56.93 54.07 1x50 s PHE 60 Cb -0.11 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 40.93 1x50 s PHE 60 CO 0.25 -0.92 0.67 0.21 0.70 0.00 0.00 175.22 176.14 1x50 s LYS 61 N 1.08 2.79 -0.28 0.44 2.20 -0.78 -1.73 119.74 123.47 1x50 s LYS 61 Ca 0.07 -0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 54.72 1x50 s LYS 61 Cb -0.19 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1x50 s LYS 61 CO -0.10 -0.42 0.19 0.08 -0.36 0.00 0.00 175.35 174.73 1x50 s VAL 62 N -2.55 5.31 0.52 4.02 1.01 -0.59 -1.00 120.40 127.12 1x50 s VAL 62 Ca 0.53 0.17 0.20 0.00 0.00 0.00 0.00 61.98 62.88 1x50 s VAL 62 Cb -0.10 -3.52 0.33 0.00 0.00 0.00 0.00 36.38 33.08 1x50 s VAL 62 CO 0.36 0.26 2.07 1.23 0.00 0.00 0.00 175.10 179.03 1x50 h GLY 63 N 8.28 0.04 0.00 4.51 0.00 -1.80 -1.11 103.07 112.98 1x50 h GLY 63 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1x50 h GLY 63 CO 0.56 0.01 0.00 1.44 0.00 0.00 0.00 176.54 178.55 1x50 n SER 64 N -4.47 0.00 0.00 0.19 7.64 -1.26 -4.74 113.62 110.98 1x50 n SER 64 Ca 0.03 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1x50 n SER 64 Cb 0.33 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.21 0.00 0.00 6.43 2.88 -1.22 -5.04 113.62 115.46 1x50 n SER 65 Ca 0.00 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1x50 n SER 65 Cb 0.00 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 1.94 0.44 3.66 0.46 0.00 -0.42 -4.95 105.19 106.32 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 -0.84 4.91 -0.37 1.61 1.01 -1.26 -4.67 116.67 117.06 1x50 s ASP 67 Ca 0.00 -0.16 -0.18 0.00 0.71 0.00 0.00 52.55 52.92 1x50 s ASP 67 Cb 0.00 -1.17 0.00 0.00 1.01 0.00 0.00 42.92 42.76 1x50 s ASP 67 CO 0.00 0.21 0.50 -0.63 0.21 0.00 0.00 175.17 175.46 1x50 s ILE 68 N -1.20 5.02 0.01 0.77 1.01 0.81 -1.54 121.20 126.08 1x50 s ILE 68 Ca 0.23 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1x50 s ILE 68 Cb -0.11 -3.98 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 1x50 s ILE 68 CO 0.14 -0.27 0.85 0.00 0.00 0.00 0.00 174.94 175.66 1x50 h ALA 69 N 8.55 0.51 -3.54 9.38 0.00 -1.55 -0.83 119.26 131.77 1x50 h ALA 69 Ca -0.28 -1.23 -0.32 0.00 0.00 0.00 0.00 54.91 53.09 1x50 h ALA 69 Cb 1.12 0.28 -0.33 0.00 0.00 0.00 0.00 17.79 18.86 1x50 h ALA 69 CO 0.78 1.37 -0.74 -1.17 0.00 0.00 0.00 179.25 179.49 1x50 s LEU 70 N -6.54 1.23 -0.35 0.00 2.96 -1.25 -4.55 118.68 110.17 1x50 s LEU 70 Ca -0.05 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1x50 s LEU 70 Cb 0.08 -0.14 0.12 0.00 0.50 0.00 0.00 46.19 46.75 1x50 s LEU 70 CO 0.83 -0.10 0.16 -2.28 -1.32 0.00 0.00 176.35 173.64 1x50 s HIS 71 N 0.92 1.33 -0.19 5.38 5.65 0.61 -0.69 115.29 128.31 1x50 s HIS 71 Ca -0.08 -1.74 -0.10 0.00 0.25 0.00 0.00 55.06 53.39 1x50 s HIS 71 Cb -0.12 -1.45 -0.05 0.00 -1.18 0.00 0.00 32.58 29.78 1x50 s HIS 71 CO -0.02 -0.84 0.13 0.42 -0.65 0.00 0.00 174.74 173.78 1x50 s ILE 72 N 1.27 5.42 -0.20 0.89 1.01 -0.86 -0.41 121.20 128.31 1x50 s ILE 72 Ca 0.13 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 1x50 s ILE 72 Cb -0.20 -3.46 0.08 0.00 0.01 0.00 0.00 42.46 38.89 1x50 s ILE 72 CO -0.15 0.47 0.13 0.21 0.00 0.00 0.00 174.94 175.59 1x50 s ASN 73 N 0.15 2.39 0.66 3.58 3.04 -0.64 -0.25 114.94 123.88 1x50 s ASN 73 Ca 0.09 -0.69 -0.15 0.00 0.04 0.00 0.00 52.86 52.15 1x50 s ASN 73 Cb -0.11 -0.13 0.00 0.00 -1.54 0.00 0.00 41.25 39.47 1x50 s ASN 73 CO -0.01 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.63 1x50 s PRO 74 N 2.17 2.78 -0.31 0.43 0.04 -1.24 -2.18 135.00 136.69 1x50 s PRO 74 Ca 0.05 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 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 -0.16 -1.26 0.10 1.03 0.04 0.00 0.00 177.00 176.74 1x50 s ARG 75 N -4.13 0.70 0.15 4.56 0.52 -1.16 -4.44 118.95 115.15 1x50 s ARG 75 Ca 0.67 -1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 54.71 1x50 s ARG 75 Cb -0.20 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1x50 s ARG 75 CO 0.42 -0.99 1.53 0.52 0.02 0.00 0.00 175.30 176.81 1x50 h MET 76 N 8.10 0.97 -0.18 3.54 2.86 -1.85 0.28 114.93 128.64 1x50 h MET 76 Ca -0.14 -0.42 0.02 0.00 -2.06 0.00 0.00 59.70 57.10 1x50 h MET 76 Cb 1.01 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1x50 h MET 76 CO 0.47 1.09 -0.22 0.78 1.06 0.00 0.00 176.91 180.09 1x50 h GLY 77 N 0.81 -1.62 0.00 8.32 0.00 -1.94 -3.33 103.07 105.31 1x50 h GLY 77 Ca 0.10 0.81 -0.13 0.00 0.00 0.00 0.00 47.33 48.12 1x50 h GLY 77 CO 0.07 -0.51 -0.89 -0.57 0.00 0.00 0.00 176.54 174.64 1x50 h ASN 78 N -0.14 0.00 0.00 0.19 -1.24 -2.00 -3.50 115.58 108.89 1x50 h ASN 78 Ca 0.03 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1x50 h ASN 78 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1x50 h ASN 78 CO -0.25 1.16 0.00 0.61 -1.29 0.00 0.00 177.43 177.67 1x50 n GLY 79 N 1.52 0.98 2.78 1.57 0.00 0.96 -5.10 105.19 107.89 1x50 n GLY 79 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.60 -0.12 -0.43 2.61 -4.23 -1.14 -4.87 115.64 106.85 1x50 s THR 80 Ca 0.00 0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.63 1x50 s THR 80 Cb 0.00 -0.18 0.02 0.00 1.34 0.00 0.00 72.50 73.68 1x50 s THR 80 CO 0.00 0.13 0.54 -0.69 -0.54 0.00 0.00 174.62 174.06 1x50 s VAL 81 N 1.73 4.96 0.31 2.29 1.01 -1.26 -2.97 120.40 126.46 1x50 s VAL 81 Ca -0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1x50 s VAL 81 Cb -0.12 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1x50 s VAL 81 CO -0.04 -0.53 0.87 -0.69 0.00 0.00 0.00 175.10 174.71 1x50 s VAL 82 N 2.47 4.35 -0.11 2.92 1.01 -0.92 -4.33 120.40 125.78 1x50 s VAL 82 Ca 0.17 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.76 1x50 s VAL 82 Cb -0.16 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1x50 s VAL 82 CO 0.16 0.10 -0.13 -0.13 0.00 0.00 0.00 175.10 175.10 1x50 s ARG 83 N -2.19 2.02 0.36 2.72 3.00 0.26 -1.62 118.95 123.50 1x50 s ARG 83 Ca 0.50 -0.48 0.06 0.00 0.00 0.00 0.00 55.73 55.81 1x50 s ARG 83 Cb -0.17 -1.80 -0.03 0.00 0.00 0.00 0.00 34.95 32.96 1x50 s ARG 83 CO 0.22 -0.12 0.22 -0.80 0.00 0.00 0.00 175.30 174.81 1x50 s ASN 84 N 1.18 2.12 -0.30 0.23 -0.87 0.45 -0.91 114.94 116.85 1x50 s ASN 84 Ca -0.03 -1.73 0.02 0.00 -1.57 0.00 0.00 52.86 49.55 1x50 s ASN 84 Cb -0.14 0.55 0.19 0.00 -0.02 0.00 0.00 41.25 41.83 1x50 s ASN 84 CO -0.04 -1.02 0.60 -0.94 -2.57 0.00 0.00 177.10 173.13 1x50 s SER 85 N -3.47 -1.48 -0.30 -1.22 1.04 -1.26 0.23 113.70 107.24 1x50 s SER 85 Ca 0.33 0.62 -0.29 0.00 0.48 0.00 0.00 55.95 57.10 1x50 s SER 85 Cb 0.02 2.12 0.01 0.00 0.10 0.00 0.00 66.02 68.27 1x50 s SER 85 CO 0.22 -0.27 1.21 -0.22 0.98 0.00 0.00 173.24 175.16 1x50 s LEU 86 N 2.85 3.92 0.42 2.42 2.96 -0.32 -0.50 118.68 130.43 1x50 s LEU 86 Ca 0.17 1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 55.23 1x50 s LEU 86 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1x50 s LEU 86 CO -0.23 -0.99 0.66 -0.76 -1.32 0.00 0.00 176.35 173.72 1x50 s LEU 87 N 4.05 3.78 -0.88 -0.68 1.43 0.61 -0.13 118.68 126.86 1x50 s LEU 87 Ca 0.52 0.58 -0.32 0.00 -1.03 0.00 0.00 54.13 53.87 1x50 s LEU 87 Cb -0.15 -3.47 -0.20 0.00 0.03 0.00 0.00 46.19 42.39 1x50 s LEU 87 CO 0.20 -0.50 2.60 0.59 0.23 0.00 0.00 176.35 179.46 1x50 n ASN 88 N -2.03 0.53 0.00 2.29 3.02 -1.26 0.21 115.26 118.01 1x50 n ASN 88 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1x50 n ASN 88 Cb 0.56 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 6.60 0.64 3.57 7.41 0.00 -1.26 -4.92 105.19 117.22 1x50 n GLY 89 Ca 0.62 0.00 -0.26 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 -2.50 3.22 0.16 1.61 0.15 0.55 -5.17 113.70 111.72 1x50 s SER 90 Ca 0.00 -1.45 0.06 0.00 0.70 0.00 0.00 55.95 55.25 1x50 s SER 90 Cb 0.00 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1x50 s SER 90 CO 0.00 -0.63 -0.12 0.26 1.20 0.00 0.00 173.24 173.95 1x50 s TRP 91 N -3.02 1.44 0.00 3.44 0.52 -1.26 0.22 118.94 120.29 1x50 s TRP 91 Ca 0.30 -0.65 0.00 0.00 0.02 0.00 0.00 56.10 55.77 1x50 s TRP 91 Cb 0.07 -0.71 0.00 0.00 -1.15 0.00 0.00 33.47 31.68 1x50 s TRP 91 CO 0.14 0.19 0.00 0.41 0.02 0.00 0.00 176.95 177.71 1x50 n GLY 92 N -0.07 1.08 3.83 0.98 0.00 0.35 -4.72 105.19 106.64 1x50 n GLY 92 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.06 -0.28 1.61 0.01 -1.26 -4.96 113.70 107.76 1x50 s SER 93 Ca 0.00 -0.81 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 1x50 s SER 93 Cb 0.00 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 1x50 s SER 93 CO 0.00 -1.31 0.23 -1.61 0.41 0.00 0.00 173.24 170.97 1x50 s GLU 94 N -2.63 3.93 -0.21 12.44 2.02 -1.26 -3.90 118.70 129.09 1x50 s GLU 94 Ca 0.16 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.90 1x50 s GLU 94 Cb -0.04 -3.67 0.03 0.00 0.10 0.00 0.00 34.13 30.55 1x50 s GLU 94 CO 0.08 -0.22 -0.15 -1.21 0.02 0.00 0.00 175.26 173.77 1x50 s GLU 95 N 1.83 2.75 -0.17 1.61 0.41 -0.08 -4.90 118.70 120.15 1x50 s GLU 95 Ca 0.09 -1.00 0.01 0.00 -0.41 0.00 0.00 54.97 53.66 1x50 s GLU 95 Cb -0.16 -2.73 0.02 0.00 -1.78 0.00 0.00 34.13 29.49 1x50 s GLU 95 CO 0.11 -0.34 -0.17 0.15 -0.49 0.00 0.00 175.26 174.52 1x50 s LYS 96 N 1.24 2.65 -0.30 1.61 1.02 -1.26 -0.58 119.74 124.12 1x50 s LYS 96 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 1x50 s LYS 96 Cb -0.16 -2.41 0.18 0.00 -0.52 0.00 0.00 37.83 34.93 1x50 s LYS 96 CO -0.09 -0.25 0.84 0.21 -0.92 0.00 0.00 175.35 175.14 1x50 s LYS 97 N 1.36 0.36 -0.04 1.68 2.20 -1.26 -5.07 119.74 118.96 1x50 s LYS 97 Ca 0.04 0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 56.10 1x50 s LYS 97 Cb -0.13 0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1x50 s LYS 97 CO -0.12 -0.45 0.31 -1.50 -0.36 0.00 0.00 175.35 173.24 1x50 s ILE 98 N 2.91 0.04 -0.18 5.43 2.07 -1.26 -4.61 121.20 125.60 1x50 s ILE 98 Ca 0.11 -0.35 -0.18 0.00 -1.41 0.00 0.00 60.65 58.82 1x50 s ILE 98 Cb -0.11 -0.57 -0.21 0.00 0.13 0.00 0.00 42.46 41.69 1x50 s ILE 98 CO -0.17 -0.19 0.29 0.00 -1.91 0.00 0.00 174.94 172.96 1x50 h THR 99 N 4.08 0.89 -3.40 4.00 1.03 -1.86 -3.47 112.91 114.17 1x50 h THR 99 Ca -0.29 -2.23 -0.36 0.00 -0.01 0.00 0.00 66.41 63.52 1x50 h THR 99 Cb 1.18 2.35 -0.36 0.00 -1.07 0.00 0.00 68.15 70.25 1x50 h THR 99 CO 0.37 0.47 -0.75 -1.38 -0.01 0.00 0.00 175.52 174.23 1x50 s HIS 100 N -2.41 0.25 -0.62 0.00 -3.43 -1.26 -5.10 115.29 102.72 1x50 s HIS 100 Ca -0.26 0.07 -0.12 0.00 -0.80 0.00 0.00 55.06 53.95 1x50 s HIS 100 Cb 0.06 -0.47 0.16 0.00 -1.43 0.00 0.00 32.58 30.89 1x50 s HIS 100 CO 0.64 -0.17 0.53 1.21 -2.00 0.00 0.00 174.74 174.95 1x50 s ASN 101 N 1.53 6.12 0.24 7.38 3.84 -1.26 -4.91 114.94 127.89 1x50 s ASN 101 Ca -0.03 -2.22 0.02 0.00 0.21 0.00 0.00 52.86 50.84 1x50 s ASN 101 Cb -0.13 -2.11 0.29 0.00 -0.55 0.00 0.00 41.25 38.74 1x50 s ASN 101 CO -0.03 -0.67 1.61 1.55 -2.79 0.00 0.00 177.10 176.77 1x50 h PRO 102 N 8.22 0.42 -4.83 0.43 0.13 -1.99 -3.44 132.00 130.94 1x50 h PRO 102 Ca -0.12 -0.22 -0.48 0.00 -0.87 0.00 0.00 66.00 64.31 1x50 h PRO 102 Cb 1.06 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.11 1x50 h PRO 102 CO 0.87 0.78 1.71 1.19 -0.23 0.00 0.00 178.00 182.32 1x50 n PHE 103 N -4.00 0.52 -4.57 1.56 3.72 -1.26 -4.87 117.46 108.56 1x50 n PHE 103 Ca -0.02 0.35 -0.22 0.00 -0.05 0.00 0.00 57.45 57.51 1x50 n PHE 103 Cb 0.53 -2.23 -0.16 0.00 -0.94 0.00 0.00 39.48 36.68 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 8.35 0.68 -0.62 1.37 0.00 -1.26 -4.73 107.32 111.11 1x50 s GLY 104 Ca 1.31 -0.49 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 1x50 s GLY 104 CO 0.48 -0.23 1.86 2.56 0.00 0.00 0.00 173.10 177.77 1x50 s PRO 105 N 0.06 2.62 0.00 2.90 0.04 -1.26 -2.37 135.00 137.00 1x50 s PRO 105 Ca -0.02 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1x50 s PRO 105 Cb -0.09 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1x50 s PRO 105 CO 0.01 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1x50 n GLY 106 N 5.72 0.82 3.28 0.56 0.00 0.39 -4.58 105.19 111.38 1x50 n GLY 106 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 1.17 0.84 1.61 -2.07 -1.00 -4.97 119.66 115.25 1x50 s GLN 107 Ca 0.00 -1.54 -0.13 0.00 -1.82 0.00 0.00 55.36 51.87 1x50 s GLN 107 Cb 0.00 -0.63 0.11 0.00 -1.09 0.00 0.00 33.01 31.41 1x50 s GLN 107 CO 0.00 0.01 1.21 -0.06 -1.32 0.00 0.00 175.29 175.13 1x50 s PHE 108 N -3.36 2.59 -0.30 9.60 0.40 -1.26 -2.83 117.98 122.82 1x50 s PHE 108 Ca 0.21 0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 57.06 1x50 s PHE 108 Cb 0.04 -3.65 0.14 0.00 0.51 0.00 0.00 43.02 40.06 1x50 s PHE 108 CO 0.04 -1.99 0.69 -0.59 0.70 0.00 0.00 175.22 174.06 1x50 s PHE 109 N -3.65 -1.28 -0.57 0.36 -0.12 -1.22 -4.82 117.98 106.68 1x50 s PHE 109 Ca 0.65 2.18 -0.19 0.00 -0.05 0.00 0.00 56.93 59.52 1x50 s PHE 109 Cb -0.09 0.75 0.09 0.00 -0.63 0.00 0.00 43.02 43.14 1x50 s PHE 109 CO 0.50 -0.64 0.71 0.34 -0.05 0.00 0.00 175.22 176.08 1x50 s ASP 110 N 2.85 6.20 -0.14 1.98 2.15 -1.26 -3.62 116.67 124.83 1x50 s ASP 110 Ca -0.05 -1.22 -0.07 0.00 0.43 0.00 0.00 52.55 51.64 1x50 s ASP 110 Cb -0.11 -2.31 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1x50 s ASP 110 CO -0.19 -1.08 0.11 -0.22 -0.17 0.00 0.00 175.17 173.62 1x50 s LEU 111 N 2.81 4.20 -0.15 -1.34 1.98 -0.74 -1.71 118.68 123.73 1x50 s LEU 111 Ca 0.14 0.34 -0.04 0.00 -2.89 0.00 0.00 54.13 51.68 1x50 s LEU 111 Cb -0.22 -2.03 0.06 0.00 0.66 0.00 0.00 46.19 44.66 1x50 s LEU 111 CO 0.08 0.33 0.12 -0.44 -1.89 0.00 0.00 176.35 174.56 1x50 s SER 112 N -0.56 1.73 -0.33 3.68 0.01 -0.45 0.19 113.70 117.96 1x50 s SER 112 Ca 0.12 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 56.94 1x50 s SER 112 Cb -0.12 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 1x50 s SER 112 CO 0.02 -0.32 0.37 -0.63 0.41 0.00 0.00 173.24 173.09 1x50 s ILE 113 N 2.21 5.16 0.09 1.44 1.09 0.16 -0.58 121.20 130.76 1x50 s ILE 113 Ca 0.04 0.12 -0.18 0.00 -1.10 0.00 0.00 60.65 59.53 1x50 s ILE 113 Cb -0.15 -3.81 -0.07 0.00 -1.06 0.00 0.00 42.46 37.38 1x50 s ILE 113 CO -0.08 -0.06 0.56 -0.13 -0.10 0.00 0.00 174.94 175.12 1x50 s ARG 114 N 2.04 4.13 -0.26 2.79 0.52 0.58 0.25 118.95 128.99 1x50 s ARG 114 Ca 0.12 0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 55.96 1x50 s ARG 114 Cb -0.16 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.17 1x50 s ARG 114 CO 0.12 0.60 -0.03 0.00 0.02 0.00 0.00 175.30 176.01 1x50 n GLY 116 N 4.72 3.83 0.03 0.00 0.00 -1.12 -4.11 105.19 108.54 1x50 n GLY 116 Ca -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 1.01 -0.01 0.99 4.77 -1.26 -4.00 117.00 118.51 1x50 n LEU 117 Ca 0.00 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1x50 n LEU 117 Cb 0.00 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1x50 n LEU 117 CO 0.00 0.28 -0.71 0.44 -1.33 0.00 0.00 177.39 176.08 1x50 h ASP 118 N 0.00 0.35 -1.96 -1.43 5.19 -1.99 -3.50 116.42 113.08 1x50 h ASP 118 Ca -0.13 -0.86 0.07 0.00 -0.62 0.00 0.00 57.03 55.49 1x50 h ASP 118 Cb 1.27 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1x50 h ASP 118 CO -0.00 1.77 0.33 -2.11 -3.12 0.00 0.00 179.24 176.10 1x50 n ARG 119 N -3.71 0.50 -4.01 3.56 0.00 -1.26 -3.91 116.66 107.83 1x50 n ARG 119 Ca -0.31 -1.08 -0.25 0.00 -0.00 0.00 0.00 57.85 56.21 1x50 n ARG 119 Cb 0.97 1.42 -0.04 0.00 -0.00 0.00 0.00 32.46 34.81 1x50 n ARG 119 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1x50 s PHE 120 N -3.81 3.33 -0.26 2.89 0.40 -0.84 -2.78 117.98 116.93 1x50 s PHE 120 Ca 0.13 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1x50 s PHE 120 Cb -0.02 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 42.01 1x50 s PHE 120 CO 0.05 0.51 0.03 0.15 0.70 0.00 0.00 175.22 176.65 1x50 s LYS 121 N -3.36 1.01 -0.09 0.44 1.02 -0.53 -2.59 119.74 115.64 1x50 s LYS 121 Ca 0.33 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 1x50 s LYS 121 Cb -0.10 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1x50 s LYS 121 CO 0.27 -0.77 0.50 0.08 -0.92 0.00 0.00 175.35 174.51 1x50 s VAL 122 N 1.58 5.12 0.12 3.17 1.01 -0.68 -0.30 120.40 130.41 1x50 s VAL 122 Ca 0.02 1.01 0.10 0.00 0.00 0.00 0.00 61.98 63.11 1x50 s VAL 122 Cb -0.18 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1x50 s VAL 122 CO -0.13 0.36 -0.24 -0.31 0.00 0.00 0.00 175.10 174.77 1x50 s TYR 123 N 0.34 2.08 -0.21 5.22 1.51 0.25 -0.35 117.35 126.19 1x50 s TYR 123 Ca 0.27 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1x50 s TYR 123 Cb -0.16 -1.13 0.07 0.00 -0.11 0.00 0.00 41.96 40.63 1x50 s TYR 123 CO 0.12 0.28 0.05 0.00 -1.11 0.00 0.00 175.55 174.89 1x50 s ALA 124 N -1.10 1.04 -1.48 3.71 0.00 0.10 -1.34 121.76 122.69 1x50 s ALA 124 Ca 0.11 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 1x50 s ALA 124 Cb -0.10 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1x50 s ALA 124 CO 0.05 -1.26 0.58 0.09 0.00 0.00 0.00 175.76 175.22 1x50 n ASN 125 N 5.04 -5.47 -0.39 0.00 3.02 -0.69 -2.08 115.26 114.69 1x50 n ASN 125 Ca -0.08 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1x50 n ASN 125 Cb 0.46 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 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 -1.43 0.88 3.02 7.41 0.00 -1.26 -5.07 105.19 108.73 1x50 n GLY 126 Ca -0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.58 0.17 -0.43 1.61 -0.21 -0.88 -5.10 119.66 110.24 1x50 s GLN 127 Ca 0.00 0.58 -0.26 0.00 0.02 0.00 0.00 55.36 55.69 1x50 s GLN 127 Cb 0.00 -0.11 -0.06 0.00 1.00 0.00 0.00 33.01 33.83 1x50 s GLN 127 CO 0.00 -0.21 2.36 -1.58 -2.12 0.00 0.00 175.29 173.75 1x50 s HIS 128 N 1.64 1.10 -0.01 0.91 5.65 -1.26 0.02 115.29 123.34 1x50 s HIS 128 Ca -0.06 1.34 -0.07 0.00 0.25 0.00 0.00 55.06 56.53 1x50 s HIS 128 Cb -0.11 -3.66 -0.04 0.00 -1.18 0.00 0.00 32.58 27.59 1x50 s HIS 128 CO -0.08 -2.87 0.59 1.25 -0.65 0.00 0.00 174.74 172.98 1x50 h LEU 129 N 18.61 -0.20 -7.92 8.88 5.85 -1.01 -3.45 115.31 136.07 1x50 h LEU 129 Ca -0.28 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.54 1x50 h LEU 129 Cb 1.26 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1x50 h LEU 129 CO 1.12 -0.05 0.32 0.72 -0.34 0.00 0.00 178.44 180.21 1x50 s PHE 130 N -2.59 -0.10 0.06 1.25 -0.12 -1.20 -3.78 117.98 111.49 1x50 s PHE 130 Ca -0.03 -0.35 0.09 0.00 -0.05 0.00 0.00 56.93 56.58 1x50 s PHE 130 Cb 0.00 0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1x50 s PHE 130 CO 0.10 -1.18 -0.22 0.16 -0.05 0.00 0.00 175.22 174.03 1x50 s ASP 131 N -2.98 3.51 -0.34 1.98 -4.77 -1.26 -1.68 116.67 111.12 1x50 s ASP 131 Ca 0.13 -0.54 -0.03 0.00 -3.30 0.00 0.00 52.55 48.81 1x50 s ASP 131 Cb -0.04 -0.44 0.07 0.00 -1.09 0.00 0.00 42.92 41.41 1x50 s ASP 131 CO 0.07 0.24 0.09 0.12 0.70 0.00 0.00 175.17 176.38 1x50 s PHE 132 N -0.91 3.36 0.26 2.11 5.36 -1.07 -4.96 117.98 122.13 1x50 s PHE 132 Ca 0.14 -1.92 -0.30 0.00 -0.96 0.00 0.00 56.93 53.89 1x50 s PHE 132 Cb -0.10 -2.48 -0.11 0.00 -0.34 0.00 0.00 43.02 39.99 1x50 s PHE 132 CO 0.04 -0.84 1.53 0.00 -1.46 0.00 0.00 175.22 174.50 1x50 s ALA 133 N 1.26 3.71 -0.45 11.12 0.00 -1.26 -1.98 121.76 134.16 1x50 s ALA 133 Ca -0.00 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 1x50 s ALA 133 Cb -0.21 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 1x50 s ALA 133 CO -0.01 -0.86 2.36 -1.01 0.00 0.00 0.00 175.76 176.24 1x50 s HIS 134 N 0.17 1.11 -0.15 0.00 3.76 -1.25 -4.79 115.29 114.14 1x50 s HIS 134 Ca 0.63 1.38 -0.17 0.00 -0.15 0.00 0.00 55.06 56.75 1x50 s HIS 134 Cb -0.45 -3.66 -0.24 0.00 1.11 0.00 0.00 32.58 29.35 1x50 s HIS 134 CO 0.43 -2.77 0.39 0.00 -0.85 0.00 0.00 174.74 171.94 1x50 h ARG 135 N 18.70 0.13 -4.60 1.40 3.08 -1.89 -3.44 114.38 127.77 1x50 h ARG 135 Ca -0.27 -0.23 -0.71 0.00 0.07 0.00 0.00 59.98 58.84 1x50 h ARG 135 Cb 1.26 0.08 -0.20 0.00 0.08 0.00 0.00 29.97 31.19 1x50 h ARG 135 CO 1.13 1.11 -0.28 -1.17 -1.07 0.00 0.00 179.97 179.69 1x50 s LEU 136 N -7.62 5.18 0.51 3.04 2.96 -1.26 -4.93 118.68 116.55 1x50 s LEU 136 Ca -0.24 -0.96 0.27 0.00 -0.22 0.00 0.00 54.13 52.98 1x50 s LEU 136 Cb 0.05 -2.26 1.37 0.00 0.50 0.00 0.00 46.19 45.85 1x50 s LEU 136 CO 0.69 -0.60 1.90 0.77 -1.32 0.00 0.00 176.35 177.79 1x50 h SER 137 N 8.74 0.10 -0.13 3.68 4.64 -2.01 0.23 113.55 128.80 1x50 h SER 137 Ca -0.27 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1x50 h SER 137 Cb 1.11 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1x50 h SER 137 CO 0.82 0.04 0.08 0.00 -0.87 0.00 0.00 176.83 176.90 1x50 n ALA 138 N -2.65 2.90 -0.30 5.18 0.00 -1.26 -4.39 120.51 119.99 1x50 n ALA 138 Ca 0.17 -0.38 0.24 0.00 0.00 0.00 0.00 53.44 53.47 1x50 n ALA 138 Cb 0.85 -1.06 0.54 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 0.17 0.54 0.00 0.00 -0.00 -0.89 0.60 116.94 117.36 1x50 h PHE 139 Ca 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1x50 h PHE 139 Cb 1.20 -0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 37.00 1x50 h PHE 139 CO 0.21 0.07 -0.01 -0.56 -0.00 0.00 0.00 178.31 178.02 1x50 h GLN 140 N 0.34 0.00 -0.60 6.09 -0.00 -1.76 -1.75 115.11 117.43 1x50 h GLN 140 Ca 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 59.13 1x50 h GLN 140 Cb 1.53 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.98 1x50 h GLN 140 CO -0.23 0.01 0.06 0.00 -0.00 0.00 0.00 178.83 178.67 1x50 h ARG 141 N 0.00 1.00 -5.93 0.06 3.08 -0.08 -3.25 114.38 109.25 1x50 h ARG 141 Ca -0.00 -0.27 -0.62 0.00 0.07 0.00 0.00 59.98 59.16 1x50 h ARG 141 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1x50 h ARG 141 CO 0.00 0.94 1.48 0.28 -1.07 0.00 0.00 179.97 181.60 1x50 n VAL 142 N -4.21 0.22 -1.92 2.04 0.31 -0.66 -4.32 118.33 109.79 1x50 n VAL 142 Ca 0.04 -0.38 0.05 0.00 -0.01 0.00 0.00 64.34 64.03 1x50 n VAL 142 Cb 0.30 -2.09 0.11 0.00 -0.91 0.00 0.00 33.84 31.25 1x50 n VAL 142 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1x50 n ASP 143 N 11.15 1.34 -3.92 4.52 5.68 -1.16 -2.00 116.55 132.16 1x50 n ASP 143 Ca 0.37 -2.91 -0.17 0.00 -0.50 0.00 0.00 54.79 51.58 1x50 n ASP 143 Cb 0.34 -0.40 -0.15 0.00 -1.14 0.00 0.00 41.12 39.77 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x50 s THR 144 N -1.66 0.41 -0.27 2.12 2.01 -0.17 0.19 115.64 118.27 1x50 s THR 144 Ca 0.32 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1x50 s THR 144 Cb 0.33 -0.40 0.08 0.00 0.01 0.00 0.00 72.50 72.53 1x50 s THR 144 CO -0.09 0.15 0.06 -0.22 -0.69 0.00 0.00 174.62 173.83 1x50 s LEU 145 N 0.34 2.14 0.10 4.42 2.96 -0.45 -1.86 118.68 126.34 1x50 s LEU 145 Ca -0.04 -1.40 0.04 0.00 -0.22 0.00 0.00 54.13 52.52 1x50 s LEU 145 Cb -0.07 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 1x50 s LEU 145 CO -0.00 -0.36 0.07 -1.83 -1.32 0.00 0.00 176.35 172.90 1x50 s GLU 146 N 1.61 2.79 -0.18 1.98 -1.05 -0.74 -1.30 118.70 121.81 1x50 s GLU 146 Ca 0.05 -0.78 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 1x50 s GLU 146 Cb -0.18 -2.65 0.06 0.00 -0.44 0.00 0.00 34.13 30.93 1x50 s GLU 146 CO -0.18 0.54 0.10 0.42 0.95 0.00 0.00 175.26 177.09 1x50 s ILE 147 N -1.46 -0.10 0.42 1.83 1.01 -0.16 -2.13 121.20 120.61 1x50 s ILE 147 Ca 0.29 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.82 1x50 s ILE 147 Cb -0.11 -0.59 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 1x50 s ILE 147 CO 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 174.94 174.87 1x50 s GLN 148 N 2.14 1.97 0.00 2.79 0.00 -0.73 -1.03 119.66 124.80 1x50 s GLN 148 Ca 0.02 -2.13 0.00 0.00 -0.00 0.00 0.00 55.36 53.25 1x50 s GLN 148 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 33.01 31.26 1x50 s GLN 148 CO -0.10 -0.09 0.00 0.41 0.00 0.00 0.00 175.29 175.51 1x50 n GLY 149 N -0.99 0.07 3.19 2.60 0.00 -1.26 -0.44 105.19 108.36 1x50 n GLY 149 Ca -0.06 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 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 5.82 -0.15 1.61 1.01 -0.75 -4.89 116.67 115.32 1x50 s ASP 150 Ca 0.00 -2.70 -0.12 0.00 0.71 0.00 0.00 52.55 50.44 1x50 s ASP 150 Cb 0.00 -2.00 0.04 0.00 1.01 0.00 0.00 42.92 41.98 1x50 s ASP 150 CO 0.00 -0.47 0.39 0.54 0.21 0.00 0.00 175.17 175.84 1x50 s VAL 151 N 0.17 -0.01 -0.75 -1.27 0.11 -1.26 -3.87 120.40 113.51 1x50 s VAL 151 Ca 0.16 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.07 1x50 s VAL 151 Cb -0.17 -0.56 0.17 0.00 -1.53 0.00 0.00 36.38 34.28 1x50 s VAL 151 CO -0.05 0.01 0.78 -0.89 -3.33 0.00 0.00 175.10 171.62 1x50 s THR 152 N 0.49 5.22 0.09 5.04 2.01 -0.42 -4.91 115.64 123.16 1x50 s THR 152 Ca -0.02 -1.85 -0.30 0.00 0.31 0.00 0.00 61.69 59.83 1x50 s THR 152 Cb -0.04 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 1x50 s THR 152 CO -0.03 -1.11 1.04 -0.76 -0.69 0.00 0.00 174.62 173.07 1x50 s LEU 153 N 1.38 4.44 -0.01 4.42 1.43 -1.26 0.40 118.68 129.47 1x50 s LEU 153 Ca 0.17 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1x50 s LEU 153 Cb -0.15 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1x50 s LEU 153 CO -0.04 -0.23 -0.01 -1.20 0.23 0.00 0.00 176.35 175.10 1x50 n SER 154 N 3.21 3.58 -3.75 2.29 7.64 0.10 -3.71 113.62 122.98 1x50 n SER 154 Ca 0.05 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 1x50 n SER 154 Cb 0.49 -0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.02 -0.07 -0.23 1.43 6.14 0.33 -0.80 117.35 122.14 1x50 s TYR 155 Ca -0.02 0.31 -0.04 0.00 0.64 0.00 0.00 57.07 57.96 1x50 s TYR 155 Cb 0.00 -0.17 0.08 0.00 0.42 0.00 0.00 41.96 42.29 1x50 s TYR 155 CO 0.03 -0.13 0.13 0.08 0.64 0.00 0.00 175.55 176.29 1x50 s VAL 156 N 1.18 -0.12 -0.08 3.14 1.01 -1.24 0.25 120.40 124.54 1x50 s VAL 156 Ca -0.08 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1x50 s VAL 156 Cb -0.12 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1x50 s VAL 156 CO -0.04 -0.46 -0.24 -1.58 0.00 0.00 0.00 175.10 172.78 1x50 s GLN 157 N 2.15 2.82 -0.83 2.72 0.74 -1.23 -3.11 119.66 122.92 1x50 s GLN 157 Ca 0.05 -0.88 -0.11 0.00 0.05 0.00 0.00 55.36 54.48 1x50 s GLN 157 Cb -0.16 -2.22 0.22 0.00 1.10 0.00 0.00 33.01 31.95 1x50 s GLN 157 CO -0.21 0.25 0.76 0.42 -0.55 0.00 0.00 175.29 175.95 1x50 s ILE 158 N 0.16 5.25 0.51 -2.34 1.01 -1.26 -2.76 121.20 121.77 1x50 s ILE 158 Ca -0.13 -2.78 -0.21 0.00 0.00 0.00 0.00 60.65 57.54 1x50 s ILE 158 Cb -0.16 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 1x50 s ILE 158 CO 0.07 -1.03 0.85 -0.24 0.00 0.00 0.00 174.94 174.59 1x50 n SER 159 N 3.61 0.42 -3.35 3.58 2.88 -0.56 -4.93 113.62 115.27 1x50 n SER 159 Ca 0.15 0.88 0.03 0.00 -1.33 0.00 0.00 58.87 58.60 1x50 n SER 159 Cb 0.44 -1.31 0.01 0.00 -0.75 0.00 0.00 64.21 62.60 1x50 n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 160 N 1.40 0.22 3.77 0.46 0.00 -1.26 -3.23 105.19 106.55 1x50 n GLY 160 Ca 0.11 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.01 4.12 -0.14 1.61 0.04 -1.26 -4.96 135.00 132.41 1x50 s PRO 161 Ca 0.25 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 1x50 s PRO 161 Cb -0.00 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1x50 s PRO 161 CO -0.01 -0.29 1.60 0.45 0.04 0.00 0.00 177.00 178.79 1x50 s SER 162 N -0.99 6.56 -0.07 6.66 0.15 -1.26 -4.98 113.70 119.76 1x50 s SER 162 Ca 0.55 1.92 -0.19 0.00 0.70 0.00 0.00 55.95 58.93 1x50 s SER 162 Cb -0.33 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.40 1x50 s SER 162 CO 0.42 -1.06 0.52 -0.44 1.20 0.00 0.00 173.24 173.88 1x50 s SER 163 N 3.64 6.80 0.00 5.45 0.01 -1.26 -5.18 113.70 123.16 1x50 s SER 163 Ca 0.71 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1x50 s SER 163 Cb -0.29 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1x50 s SER 163 CO 0.28 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.59