#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 6.67 -0.75 1.61 0.15 -1.26 -4.90 113.70 115.22 1x50 s SER 2 Ca 0.00 0.80 -0.36 0.00 0.70 0.00 0.00 55.95 57.09 1x50 s SER 2 Cb 0.00 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.57 1x50 s SER 2 CO 0.00 -1.16 2.44 -1.54 1.20 0.00 0.00 173.24 174.18 1x50 n SER 3 N 7.72 0.64 0.00 5.45 3.41 -1.26 -4.47 113.62 125.11 1x50 n SER 3 Ca 0.13 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1x50 n SER 3 Cb 0.48 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1x50 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x50 n GLY 4 N 6.88 0.78 1.67 5.00 0.00 -1.26 -5.01 105.19 113.25 1x50 n GLY 4 Ca 0.59 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.04 -4.23 1.61 2.88 -1.26 -5.03 113.62 107.63 1x50 n SER 5 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1x50 n SER 5 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1x50 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x50 n SER 6 N -2.59 -2.60 0.00 -3.46 7.64 -1.26 -4.32 113.62 107.03 1x50 n SER 6 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1x50 n SER 6 Cb 0.13 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 1x50 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x50 n GLY 7 N -1.49 0.67 4.32 0.23 0.00 -1.26 -4.95 105.19 102.70 1x50 n GLY 7 Ca 0.01 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1x50 n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x50 n HIS 8 N 6.04 -1.11 -0.07 1.61 -0.00 -1.26 -4.82 115.22 115.61 1x50 n HIS 8 Ca 0.00 0.63 -0.05 0.00 -0.00 0.00 0.00 57.72 58.30 1x50 n HIS 8 Cb 0.00 -1.97 -0.02 0.00 -0.00 0.00 0.00 29.99 28.00 1x50 n HIS 8 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1x50 n GLN 9 N -3.97 0.44 -3.93 -0.41 1.13 -1.26 -4.87 117.38 104.51 1x50 n GLN 9 Ca 0.00 0.50 -0.31 0.00 -1.94 0.00 0.00 57.00 55.26 1x50 n GLN 9 Cb 0.48 -1.65 -0.15 0.00 0.11 0.00 0.00 30.24 29.03 1x50 n GLN 9 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1x50 s GLN 10 N -2.24 1.34 -0.30 -1.09 2.00 -1.26 -4.97 119.66 113.15 1x50 s GLN 10 Ca -0.15 -1.43 0.12 0.00 -2.00 0.00 0.00 55.36 51.90 1x50 s GLN 10 Cb 0.02 -2.71 0.47 0.00 0.80 0.00 0.00 33.01 31.59 1x50 s GLN 10 CO 0.22 -0.85 1.14 1.47 -0.50 0.00 0.00 175.29 176.77 1x50 n LEU 11 N 4.52 3.75 -2.91 3.68 -0.00 -1.26 -4.94 117.00 119.84 1x50 n LEU 11 Ca -0.02 -4.26 -0.17 0.00 -0.00 0.00 0.00 56.01 51.56 1x50 n LEU 11 Cb 0.42 -0.08 0.06 0.00 -0.00 0.00 0.00 43.42 43.83 1x50 n LEU 11 CO 0.18 1.79 0.17 0.59 -0.00 0.00 0.00 177.39 180.12 1x50 n ASN 12 N -0.61 -4.57 -3.88 1.45 4.13 -1.26 -5.02 115.26 105.49 1x50 n ASN 12 Ca 0.31 -0.44 -0.18 0.00 1.68 0.00 0.00 54.58 55.96 1x50 n ASN 12 Cb 0.88 -4.05 -0.00 0.00 -1.54 0.00 0.00 39.78 35.07 1x50 n ASN 12 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1x50 n SER 13 N -2.18 2.22 -3.91 6.41 2.88 -1.26 -5.16 113.62 112.62 1x50 n SER 13 Ca -0.05 -2.28 -0.10 0.00 -1.33 0.00 0.00 58.87 55.11 1x50 n SER 13 Cb 0.57 -0.01 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 1x50 n SER 13 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x50 s LEU 14 N 0.00 1.77 0.77 2.46 1.43 -1.26 -5.14 118.68 118.71 1x50 s LEU 14 Ca 0.19 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1x50 s LEU 14 Cb -0.02 0.55 0.06 0.00 0.03 0.00 0.00 46.19 46.81 1x50 s LEU 14 CO 0.12 -0.42 1.09 -2.16 0.23 0.00 0.00 176.35 175.21 1x50 s PRO 15 N -1.95 2.26 0.09 1.29 0.04 -1.26 -5.02 135.00 130.46 1x50 s PRO 15 Ca -0.11 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 1x50 s PRO 15 Cb -0.05 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1x50 s PRO 15 CO -0.02 -1.64 0.73 -0.08 0.04 0.00 0.00 177.00 176.04 1x50 s THR 16 N -2.88 4.60 -0.57 1.26 -1.32 -1.26 -4.97 115.64 110.50 1x50 s THR 16 Ca 0.61 1.57 -0.01 0.00 -1.21 0.00 0.00 61.69 62.66 1x50 s THR 16 Cb -0.17 -4.08 0.45 0.00 -1.51 0.00 0.00 72.50 67.19 1x50 s THR 16 CO 0.56 0.46 2.00 1.15 -2.21 0.00 0.00 174.62 176.57 1x50 n MET 17 N 2.19 2.47 -0.74 7.08 0.00 -1.26 -4.98 117.12 121.88 1x50 n MET 17 Ca -0.05 -2.97 -0.19 0.00 0.00 0.00 0.00 57.70 54.49 1x50 n MET 17 Cb 0.50 -2.16 0.16 0.00 0.00 0.00 0.00 33.22 31.71 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 -0.78 -2.19 0.00 3.17 -0.58 -1.26 -4.75 120.64 114.25 1x50 n GLU 18 Ca 0.57 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 1x50 n GLU 18 Cb 0.84 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 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 -1.98 2.47 3.77 0.62 0.00 -1.26 -4.82 105.19 103.99 1x50 n GLY 19 Ca 0.10 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 3.76 0.82 1.61 0.04 -1.26 -5.02 135.00 134.95 1x50 s PRO 20 Ca 0.00 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1x50 s PRO 20 Cb 0.00 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.22 1x50 s PRO 20 CO 0.00 -0.55 1.09 -1.25 0.04 0.00 0.00 177.00 176.34 1x50 s PRO 21 N -2.70 1.88 0.28 0.56 0.04 -1.26 -5.01 135.00 128.78 1x50 s PRO 21 Ca 0.63 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1x50 s PRO 21 Cb -0.28 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1x50 s PRO 21 CO 0.34 -1.87 0.96 -0.08 0.04 0.00 0.00 177.00 176.39 1x50 s THR 22 N -2.91 4.05 -0.10 1.26 -1.32 -1.22 -5.01 115.64 110.38 1x50 s THR 22 Ca 0.62 1.91 0.00 0.00 -1.21 0.00 0.00 61.69 63.02 1x50 s THR 22 Cb -0.17 -4.16 0.02 0.00 -1.51 0.00 0.00 72.50 66.68 1x50 s THR 22 CO 0.56 0.35 -0.09 -0.36 -2.21 0.00 0.00 174.62 172.87 1x50 s PHE 23 N -1.34 1.51 -0.36 9.09 0.40 -1.26 -3.77 117.98 122.25 1x50 s PHE 23 Ca 0.45 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1x50 s PHE 23 Cb -0.24 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1x50 s PHE 23 CO 0.30 -0.46 0.31 -1.71 0.70 0.00 0.00 175.22 174.36 1x50 n ASN 24 N 4.63 -2.30 -4.68 1.36 2.85 -1.19 -4.98 115.26 110.95 1x50 n ASN 24 Ca -0.16 -0.18 -0.42 0.00 -0.11 0.00 0.00 54.58 53.71 1x50 n ASN 24 Cb 0.50 -1.86 -0.03 0.00 1.24 0.00 0.00 39.78 39.64 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 -4.62 4.24 1.17 1.20 0.04 -1.26 -5.02 135.00 130.75 1x50 s PRO 25 Ca 0.04 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 1x50 s PRO 25 Cb -0.02 -3.70 0.29 0.00 0.04 0.00 0.00 34.50 31.12 1x50 s PRO 25 CO 0.22 -0.67 1.03 -0.35 0.04 0.00 0.00 177.00 177.27 1x50 n PRO 26 N 5.96 -3.04 -3.84 0.56 -0.04 -1.26 -4.41 135.00 128.93 1x50 n PRO 26 Ca 0.14 -1.66 -0.12 0.00 -0.04 0.00 0.00 63.50 61.82 1x50 n PRO 26 Cb 0.43 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.87 -0.01 0.41 0.52 1.01 -1.26 -3.04 120.40 115.15 1x50 s VAL 27 Ca 0.67 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 1x50 s VAL 27 Cb -0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.16 1x50 s VAL 27 CO 0.52 0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.65 1x50 s PRO 28 N 0.18 4.00 -0.36 2.72 0.04 -1.26 -5.05 135.00 135.27 1x50 s PRO 28 Ca -0.01 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.02 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1x50 s PRO 28 CO -0.01 -0.38 0.37 -0.47 0.04 0.00 0.00 177.00 176.56 1x50 s TYR 29 N -1.41 3.21 -0.45 0.56 6.14 -0.29 -4.92 117.35 120.19 1x50 s TYR 29 Ca 0.58 -0.10 -0.16 0.00 0.64 0.00 0.00 57.07 58.03 1x50 s TYR 29 Cb -0.31 -2.69 0.05 0.00 0.42 0.00 0.00 41.96 39.42 1x50 s TYR 29 CO 0.39 -0.48 0.37 -0.06 0.64 0.00 0.00 175.55 176.42 1x50 s PHE 30 N 2.01 3.23 -0.38 4.97 0.08 -1.26 -1.14 117.98 125.49 1x50 s PHE 30 Ca 0.11 -0.75 -0.01 0.00 0.12 0.00 0.00 56.93 56.40 1x50 s PHE 30 Cb -0.17 -2.96 0.10 0.00 -0.57 0.00 0.00 43.02 39.43 1x50 s PHE 30 CO 0.12 -0.73 0.15 0.20 -0.10 0.00 0.00 175.22 174.86 1x50 s GLY 31 N 2.22 1.97 -0.21 4.36 0.00 0.11 -4.99 107.32 110.78 1x50 s GLY 31 Ca 0.05 -2.51 -0.29 0.00 0.00 0.00 0.00 44.72 41.98 1x50 s GLY 31 CO 0.09 0.99 1.42 1.09 0.00 0.00 0.00 173.10 176.69 1x50 s ARG 32 N 1.07 4.01 0.61 2.90 1.04 -1.26 -0.33 118.95 126.99 1x50 s ARG 32 Ca 0.08 1.61 -0.18 0.00 -1.04 0.00 0.00 55.73 56.20 1x50 s ARG 32 Cb -0.22 -3.90 -0.03 0.00 -2.04 0.00 0.00 34.95 28.77 1x50 s ARG 32 CO -0.05 -1.01 1.24 -0.51 -0.04 0.00 0.00 175.30 174.92 1x50 s LEU 33 N 4.31 3.63 -0.25 -1.89 1.43 0.83 -4.88 118.68 121.85 1x50 s LEU 33 Ca 0.62 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 56.10 1x50 s LEU 33 Cb -0.23 -4.61 -0.15 0.00 0.03 0.00 0.00 46.19 41.24 1x50 s LEU 33 CO 0.23 -1.75 -0.20 0.00 0.23 0.00 0.00 176.35 174.86 1x50 n GLN 34 N -1.72 0.62 -1.23 1.70 1.13 -1.26 -4.50 117.38 112.12 1x50 n GLN 34 Ca 0.14 0.27 -0.23 0.00 -1.94 0.00 0.00 57.00 55.24 1x50 n GLN 34 Cb 0.49 -1.55 0.15 0.00 0.11 0.00 0.00 30.24 29.44 1x50 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x50 n GLY 35 N 1.61 5.05 6.02 1.08 0.00 -1.26 -5.06 105.19 112.64 1x50 n GLY 35 Ca -0.48 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.06 0.51 3.51 -0.02 0.00 -1.26 -4.02 105.19 102.84 1x50 n GLY 36 Ca 0.55 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 4.31 0.39 0.99 1.43 -1.03 -4.95 118.68 119.83 1x50 s LEU 37 Ca 0.00 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1x50 s LEU 37 Cb 0.00 -2.78 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 1x50 s LEU 37 CO 0.00 -1.09 0.02 0.42 0.23 0.00 0.00 176.35 175.94 1x50 s THR 38 N 3.53 1.74 -0.89 5.49 -4.23 -1.26 -4.29 115.64 115.73 1x50 s THR 38 Ca 0.27 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.05 1x50 s THR 38 Cb -0.14 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.06 1x50 s THR 38 CO 0.19 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.11 1x50 n ALA 39 N -0.92 2.26 -1.10 3.99 0.00 -1.26 -3.07 120.51 120.41 1x50 n ALA 39 Ca -0.05 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1x50 n ALA 39 Cb 0.67 -1.45 0.25 0.00 0.00 0.00 0.00 19.45 18.91 1x50 n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x50 n ARG 40 N -1.79 2.74 -4.90 0.00 5.12 -1.26 -4.75 116.66 111.81 1x50 n ARG 40 Ca 0.06 -2.93 -0.31 0.00 -1.93 0.00 0.00 57.85 52.74 1x50 n ARG 40 Cb 0.36 -1.87 -0.14 0.00 -1.16 0.00 0.00 32.46 29.65 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 -2.94 2.04 -0.03 5.56 3.52 -1.18 -4.34 118.95 121.59 1x50 s ARG 41 Ca 0.44 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 1x50 s ARG 41 Cb 0.36 -2.11 0.03 0.00 -1.56 0.00 0.00 34.95 31.67 1x50 s ARG 41 CO 0.07 0.55 0.01 0.99 -0.81 0.00 0.00 175.30 176.11 1x50 s THR 42 N -0.80 0.13 0.08 4.11 2.01 -0.22 -2.86 115.64 118.09 1x50 s THR 42 Ca 0.12 0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 1x50 s THR 42 Cb -0.10 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 1x50 s THR 42 CO 0.02 0.14 0.39 -0.63 -0.69 0.00 0.00 174.62 173.85 1x50 s ILE 43 N 1.11 5.12 -0.14 1.82 1.09 0.15 -2.49 121.20 127.86 1x50 s ILE 43 Ca -0.09 0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 59.80 1x50 s ILE 43 Cb -0.13 -3.63 0.06 0.00 -1.06 0.00 0.00 42.46 37.70 1x50 s ILE 43 CO -0.02 0.26 0.15 -0.63 -0.10 0.00 0.00 174.94 174.60 1x50 s ILE 44 N -1.42 -0.22 -0.31 2.92 1.01 -1.24 -1.31 121.20 120.62 1x50 s ILE 44 Ca 0.34 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1x50 s ILE 44 Cb -0.14 -0.47 0.06 0.00 0.01 0.00 0.00 42.46 41.93 1x50 s ILE 44 CO 0.19 -0.07 0.01 -0.63 0.00 0.00 0.00 174.94 174.44 1x50 s ILE 45 N 2.25 2.82 -0.31 2.92 1.01 0.13 -3.34 121.20 126.69 1x50 s ILE 45 Ca 0.04 -1.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 1x50 s ILE 45 Cb -0.14 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1x50 s ILE 45 CO -0.08 -0.22 0.07 -0.54 0.00 0.00 0.00 174.94 174.17 1x50 s LYS 46 N 1.18 2.86 0.00 2.79 1.02 -0.01 -1.88 119.74 125.71 1x50 s LYS 46 Ca -0.03 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1x50 s LYS 46 Cb -0.20 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1x50 s LYS 46 CO -0.03 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1x50 n GLY 47 N 4.81 4.95 3.64 -3.33 0.00 -1.21 -0.55 105.19 113.50 1x50 n GLY 47 Ca -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 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 1.03 -0.65 -0.32 1.61 6.14 0.29 -3.35 117.35 122.08 1x50 s TYR 48 Ca 0.00 1.32 -0.29 0.00 0.64 0.00 0.00 57.07 58.74 1x50 s TYR 48 Cb 0.00 0.39 0.01 0.00 0.42 0.00 0.00 41.96 42.79 1x50 s TYR 48 CO 0.00 -0.32 1.13 0.08 0.64 0.00 0.00 175.55 177.08 1x50 s VAL 49 N 1.32 4.40 0.67 3.14 1.01 -1.17 -0.44 120.40 129.32 1x50 s VAL 49 Ca -0.08 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 1x50 s VAL 49 Cb -0.04 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1x50 s VAL 49 CO -0.15 -0.51 1.11 -2.16 0.00 0.00 0.00 175.10 173.39 1x50 s PRO 50 N 3.82 2.76 0.52 2.72 0.04 -1.26 -1.28 135.00 142.31 1x50 s PRO 50 Ca 0.48 1.37 0.33 0.00 0.04 0.00 0.00 61.00 63.22 1x50 s PRO 50 Cb -0.13 -1.95 1.36 0.00 0.04 0.00 0.00 34.50 33.83 1x50 s PRO 50 CO 0.18 -1.28 1.96 -1.00 0.04 0.00 0.00 177.00 176.91 1x50 h PRO 51 N -0.06 0.00 -0.44 0.56 0.13 -1.94 -2.59 132.00 127.66 1x50 h PRO 51 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x50 h PRO 51 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x50 h PRO 51 CO 0.54 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.56 1x50 n THR 52 N -2.97 2.03 -4.48 1.56 -2.24 -1.26 -4.93 114.28 101.99 1x50 n THR 52 Ca 0.01 -1.46 -0.33 0.00 -2.27 0.00 0.00 64.05 59.99 1x50 n THR 52 Cb 0.28 -0.02 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.29 1.53 0.01 3.38 0.00 -0.97 -5.03 107.32 104.94 1x50 s GLY 53 Ca 0.44 -1.01 -0.21 0.00 0.00 0.00 0.00 44.72 43.93 1x50 s GLY 53 CO 0.16 0.03 1.01 0.50 0.00 0.00 0.00 173.10 174.80 1x50 h LYS 54 N 7.25 -0.74 -1.68 2.90 1.57 -1.86 -3.45 116.57 120.57 1x50 h LYS 54 Ca -0.32 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 58.70 1x50 h LYS 54 Cb 1.19 0.17 -0.19 0.00 0.08 0.00 0.00 32.23 33.48 1x50 h LYS 54 CO 0.58 -0.49 0.70 -1.54 -0.57 0.00 0.00 179.45 178.13 1x50 s SER 55 N -4.08 -0.22 0.22 0.86 1.04 -1.26 -4.34 113.70 105.92 1x50 s SER 55 Ca -0.11 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1x50 s SER 55 Cb 0.01 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1x50 s SER 55 CO 0.34 -0.34 0.18 2.22 0.98 0.00 0.00 173.24 176.62 1x50 n PHE 56 N 0.00 -1.30 -3.67 5.02 -1.74 -1.24 -1.81 117.46 112.72 1x50 n PHE 56 Ca -0.03 -0.92 -0.14 0.00 -0.56 0.00 0.00 57.45 55.80 1x50 n PHE 56 Cb 0.59 -0.18 -0.08 0.00 1.52 0.00 0.00 39.48 41.33 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 -2.31 -1.45 -0.27 1.98 0.00 0.07 -3.73 121.76 116.05 1x50 s ALA 57 Ca 0.13 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1x50 s ALA 57 Cb -0.01 -0.88 0.07 0.00 0.00 0.00 0.00 23.12 22.29 1x50 s ALA 57 CO 0.09 -0.28 -0.05 0.42 0.00 0.00 0.00 175.76 175.93 1x50 s ILE 58 N 0.19 1.92 -0.00 0.00 1.09 0.71 -2.14 121.20 122.97 1x50 s ILE 58 Ca -0.01 -1.61 0.03 0.00 -1.10 0.00 0.00 60.65 57.96 1x50 s ILE 58 Cb -0.04 -2.16 -0.03 0.00 -1.06 0.00 0.00 42.46 39.16 1x50 s ILE 58 CO 0.01 -0.18 -0.09 0.20 -0.10 0.00 0.00 174.94 174.79 1x50 s ASN 59 N 1.18 4.48 -0.38 3.58 0.01 -0.82 -1.49 114.94 121.51 1x50 s ASN 59 Ca -0.04 -0.17 -0.02 0.00 -0.71 0.00 0.00 52.86 51.92 1x50 s ASN 59 Cb -0.19 -1.01 0.10 0.00 0.41 0.00 0.00 41.25 40.55 1x50 s ASN 59 CO -0.07 0.29 0.16 -0.36 -1.51 0.00 0.00 177.10 175.61 1x50 s PHE 60 N -0.95 3.54 0.48 2.20 0.40 -0.15 -1.43 117.98 122.07 1x50 s PHE 60 Ca 0.16 -2.33 0.03 0.00 -0.60 0.00 0.00 56.93 54.19 1x50 s PHE 60 Cb -0.11 -2.99 0.02 0.00 0.51 0.00 0.00 43.02 40.45 1x50 s PHE 60 CO 0.06 -0.93 0.68 0.21 0.70 0.00 0.00 175.22 175.94 1x50 s LYS 61 N 1.15 2.78 -0.26 0.44 2.20 -0.60 -1.44 119.74 124.02 1x50 s LYS 61 Ca 0.06 -0.81 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 1x50 s LYS 61 Cb -0.22 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1x50 s LYS 61 CO -0.04 -0.45 0.22 0.08 -0.36 0.00 0.00 175.35 174.81 1x50 s VAL 62 N -2.58 5.30 0.56 4.02 1.01 -0.48 -0.65 120.40 127.59 1x50 s VAL 62 Ca 0.53 0.27 0.26 0.00 0.00 0.00 0.00 61.98 63.04 1x50 s VAL 62 Cb -0.10 -3.56 0.33 0.00 0.00 0.00 0.00 36.38 33.05 1x50 s VAL 62 CO 0.37 0.27 2.22 1.23 0.00 0.00 0.00 175.10 179.19 1x50 h GLY 63 N 8.01 0.00 0.00 4.51 0.00 -1.75 -1.78 103.07 112.07 1x50 h GLY 63 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1x50 h GLY 63 CO 0.62 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.60 1x50 n SER 64 N -4.04 0.00 0.00 0.19 7.64 -1.26 -4.79 113.62 111.36 1x50 n SER 64 Ca -0.03 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1x50 n SER 64 Cb 0.09 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.87 0.00 0.00 6.43 7.64 -1.22 -5.05 113.62 119.55 1x50 n SER 65 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1x50 n SER 65 Cb 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 2.09 0.17 3.80 0.23 0.00 -0.67 -4.94 105.19 105.87 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 -0.24 5.73 -0.33 1.61 1.01 -1.26 -4.65 116.67 118.53 1x50 s ASP 67 Ca 0.00 0.13 -0.17 0.00 0.71 0.00 0.00 52.55 53.22 1x50 s ASP 67 Cb 0.00 -1.64 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 1x50 s ASP 67 CO 0.00 0.24 0.46 -0.63 0.21 0.00 0.00 175.17 175.45 1x50 s ILE 68 N -1.27 5.08 -0.01 0.77 1.01 0.16 -1.38 121.20 125.56 1x50 s ILE 68 Ca 0.25 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1x50 s ILE 68 Cb -0.12 -3.89 -0.32 0.00 0.01 0.00 0.00 42.46 38.14 1x50 s ILE 68 CO 0.17 -0.12 0.83 0.00 0.00 0.00 0.00 174.94 175.82 1x50 h ALA 69 N 8.40 0.06 -3.62 9.38 0.00 -1.46 -1.09 119.26 130.93 1x50 h ALA 69 Ca -0.29 -1.03 -0.38 0.00 0.00 0.00 0.00 54.91 53.21 1x50 h ALA 69 Cb 1.13 0.32 -0.32 0.00 0.00 0.00 0.00 17.79 18.92 1x50 h ALA 69 CO 0.73 0.93 -0.77 -1.17 0.00 0.00 0.00 179.25 178.97 1x50 s LEU 70 N -7.35 1.53 -0.37 0.00 2.96 -1.26 -4.50 118.68 109.70 1x50 s LEU 70 Ca -0.12 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1x50 s LEU 70 Cb 0.05 -0.38 0.13 0.00 0.50 0.00 0.00 46.19 46.49 1x50 s LEU 70 CO 0.89 -0.02 0.19 -2.28 -1.32 0.00 0.00 176.35 173.81 1x50 s HIS 71 N 0.58 1.37 -0.16 5.38 5.65 0.60 -0.98 115.29 127.74 1x50 s HIS 71 Ca -0.07 -1.88 -0.13 0.00 0.25 0.00 0.00 55.06 53.23 1x50 s HIS 71 Cb -0.11 -1.45 -0.05 0.00 -1.18 0.00 0.00 32.58 29.79 1x50 s HIS 71 CO -0.00 -0.82 0.25 0.42 -0.65 0.00 0.00 174.74 173.93 1x50 s ILE 72 N 1.02 5.33 -0.23 0.89 1.01 -0.55 -0.66 121.20 128.02 1x50 s ILE 72 Ca 0.15 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.22 1x50 s ILE 72 Cb -0.22 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.74 1x50 s ILE 72 CO -0.08 0.42 0.07 0.21 0.00 0.00 0.00 174.94 175.56 1x50 s ASN 73 N 0.32 3.11 0.66 3.58 3.04 -0.47 -0.20 114.94 124.98 1x50 s ASN 73 Ca 0.15 -1.01 -0.15 0.00 0.04 0.00 0.00 52.86 51.89 1x50 s ASN 73 Cb -0.13 -0.53 0.00 0.00 -1.54 0.00 0.00 41.25 39.05 1x50 s ASN 73 CO 0.03 -0.36 1.11 -2.16 -3.04 0.00 0.00 177.10 172.68 1x50 s PRO 74 N 1.91 2.79 -0.29 0.43 0.04 -1.24 -2.01 135.00 136.63 1x50 s PRO 74 Ca 0.03 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1x50 s PRO 74 Cb -0.17 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1x50 s PRO 74 CO -0.16 -1.26 0.09 1.03 0.04 0.00 0.00 177.00 176.74 1x50 s ARG 75 N -4.11 0.71 0.10 4.56 0.52 -1.24 -4.48 118.95 115.00 1x50 s ARG 75 Ca 0.67 -0.98 -0.25 0.00 -0.52 0.00 0.00 55.73 54.65 1x50 s ARG 75 Cb -0.20 -1.99 -0.13 0.00 0.52 0.00 0.00 34.95 33.15 1x50 s ARG 75 CO 0.42 -0.94 1.69 0.52 0.02 0.00 0.00 175.30 177.02 1x50 h MET 76 N 8.11 -0.25 0.00 3.54 2.86 -1.81 -0.85 114.93 126.53 1x50 h MET 76 Ca -0.14 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1x50 h MET 76 Cb 1.03 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1x50 h MET 76 CO 0.45 -0.17 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1x50 n GLY 77 N -1.24 -1.72 0.28 8.32 0.00 -1.26 -3.92 105.19 105.66 1x50 n GLY 77 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1x50 n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x50 n ASN 78 N 0.00 -0.23 -0.20 1.61 5.15 -1.26 -4.81 115.26 115.51 1x50 n ASN 78 Ca 0.00 1.37 0.00 0.00 -0.60 0.00 0.00 54.58 55.35 1x50 n ASN 78 Cb 0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 1x50 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x50 n GLY 79 N -1.47 0.95 2.88 8.20 0.00 -0.33 -5.10 105.19 110.32 1x50 n GLY 79 Ca 0.14 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.33 -0.32 -0.56 2.61 -4.23 -1.22 -4.87 115.64 104.71 1x50 s THR 80 Ca 0.00 0.25 -0.23 0.00 -1.18 0.00 0.00 61.69 60.53 1x50 s THR 80 Cb 0.00 -0.41 0.05 0.00 1.34 0.00 0.00 72.50 73.48 1x50 s THR 80 CO 0.00 0.08 0.90 -0.69 -0.54 0.00 0.00 174.62 174.36 1x50 s VAL 81 N 2.34 4.45 0.38 2.29 1.01 -1.26 -3.73 120.40 125.88 1x50 s VAL 81 Ca 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1x50 s VAL 81 Cb -0.13 -4.53 -0.09 0.00 0.00 0.00 0.00 36.38 31.63 1x50 s VAL 81 CO -0.08 -1.13 1.03 -0.69 0.00 0.00 0.00 175.10 174.23 1x50 s VAL 82 N 3.77 3.82 -0.07 2.92 1.01 -0.85 -4.37 120.40 126.64 1x50 s VAL 82 Ca 0.26 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1x50 s VAL 82 Cb -0.14 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1x50 s VAL 82 CO 0.16 0.04 -0.16 -0.13 0.00 0.00 0.00 175.10 175.01 1x50 s ARG 83 N -2.38 2.07 0.34 2.72 3.00 0.13 -1.36 118.95 123.47 1x50 s ARG 83 Ca 0.56 -0.58 0.03 0.00 0.00 0.00 0.00 55.73 55.74 1x50 s ARG 83 Cb -0.21 -1.67 -0.01 0.00 0.00 0.00 0.00 34.95 33.05 1x50 s ARG 83 CO 0.27 0.12 0.38 -0.80 0.00 0.00 0.00 175.30 175.27 1x50 s ASN 84 N 0.43 1.40 -0.30 0.23 -0.87 0.17 0.13 114.94 116.13 1x50 s ASN 84 Ca -0.13 -1.66 0.00 0.00 -1.57 0.00 0.00 52.86 49.50 1x50 s ASN 84 Cb -0.15 0.62 0.19 0.00 -0.02 0.00 0.00 41.25 41.89 1x50 s ASN 84 CO 0.05 -1.19 0.62 -0.94 -2.57 0.00 0.00 177.10 173.06 1x50 s SER 85 N -3.32 -1.41 -0.27 -1.22 1.04 -1.26 0.22 113.70 107.48 1x50 s SER 85 Ca 0.36 0.67 -0.29 0.00 0.48 0.00 0.00 55.95 57.17 1x50 s SER 85 Cb 0.01 2.10 0.00 0.00 0.10 0.00 0.00 66.02 68.23 1x50 s SER 85 CO 0.25 -0.26 1.20 -0.22 0.98 0.00 0.00 173.24 175.19 1x50 s LEU 86 N 2.86 3.98 0.40 2.42 2.96 -0.41 -0.33 118.68 130.55 1x50 s LEU 86 Ca 0.17 1.27 -0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1x50 s LEU 86 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1x50 s LEU 86 CO -0.22 -0.92 0.61 -0.76 -1.32 0.00 0.00 176.35 173.75 1x50 s LEU 87 N 3.86 3.85 -0.88 -0.68 1.43 0.70 0.37 118.68 127.34 1x50 s LEU 87 Ca 0.51 0.44 -0.33 0.00 -1.03 0.00 0.00 54.13 53.72 1x50 s LEU 87 Cb -0.16 -3.31 -0.20 0.00 0.03 0.00 0.00 46.19 42.54 1x50 s LEU 87 CO 0.17 -0.46 2.59 0.59 0.23 0.00 0.00 176.35 179.47 1x50 n ASN 88 N -1.93 0.54 0.00 2.29 3.02 -1.26 0.20 115.26 118.11 1x50 n ASN 88 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1x50 n ASN 88 Cb 0.57 -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 6.61 0.58 3.54 7.41 0.00 -1.26 -4.92 105.19 117.15 1x50 n GLY 89 Ca 0.62 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.46 3.08 0.19 1.61 0.15 0.52 -5.17 113.70 111.62 1x50 s SER 90 Ca 0.00 -1.43 0.07 0.00 0.70 0.00 0.00 55.95 55.29 1x50 s SER 90 Cb 0.00 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 1x50 s SER 90 CO 0.00 -0.61 -0.13 0.26 1.20 0.00 0.00 173.24 173.96 1x50 s TRP 91 N -3.05 1.57 0.00 3.44 0.52 -1.26 0.25 118.94 120.41 1x50 s TRP 91 Ca 0.32 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.81 1x50 s TRP 91 Cb 0.08 -0.75 0.00 0.00 -1.15 0.00 0.00 33.47 31.65 1x50 s TRP 91 CO 0.15 0.27 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1x50 n GLY 92 N -0.30 1.06 3.66 0.98 0.00 0.55 -4.71 105.19 106.43 1x50 n GLY 92 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.27 -0.25 1.61 0.01 -1.26 -4.96 113.70 107.58 1x50 s SER 93 Ca 0.00 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 56.78 1x50 s SER 93 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 1x50 s SER 93 CO 0.00 -0.85 0.69 -1.61 0.41 0.00 0.00 173.24 171.88 1x50 s GLU 94 N -3.31 4.13 -0.21 12.44 2.02 -1.26 -3.92 118.70 128.60 1x50 s GLU 94 Ca 0.09 0.66 0.02 0.00 0.02 0.00 0.00 54.97 55.76 1x50 s GLU 94 Cb -0.02 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.60 1x50 s GLU 94 CO -0.02 -0.44 -0.17 -1.21 0.02 0.00 0.00 175.26 173.44 1x50 s GLU 95 N 2.60 2.72 -0.13 1.61 2.02 0.12 -4.89 118.70 122.76 1x50 s GLU 95 Ca 0.29 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1x50 s GLU 95 Cb -0.15 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1x50 s GLU 95 CO 0.08 -0.34 -0.19 0.15 0.02 0.00 0.00 175.26 174.98 1x50 s LYS 96 N 1.22 2.67 -0.30 1.61 1.02 -1.26 0.21 119.74 124.91 1x50 s LYS 96 Ca 0.00 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.15 1x50 s LYS 96 Cb -0.15 -2.21 0.18 0.00 -0.52 0.00 0.00 37.83 35.13 1x50 s LYS 96 CO -0.10 -0.05 1.01 0.21 -0.92 0.00 0.00 175.35 175.50 1x50 s LYS 97 N 0.93 0.21 0.09 1.68 2.20 -1.26 -5.08 119.74 118.51 1x50 s LYS 97 Ca -0.06 0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.80 1x50 s LYS 97 Cb -0.15 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1x50 s LYS 97 CO -0.03 -0.26 0.20 -1.50 -0.36 0.00 0.00 175.35 173.40 1x50 s ILE 98 N 2.95 0.14 -0.19 5.43 2.07 -1.26 -4.68 121.20 125.65 1x50 s ILE 98 Ca 0.05 -1.12 0.10 0.00 -1.41 0.00 0.00 60.65 58.27 1x50 s ILE 98 Cb -0.09 -1.30 -0.19 0.00 0.13 0.00 0.00 42.46 41.02 1x50 s ILE 98 CO -0.14 -0.62 -0.05 1.07 -1.91 0.00 0.00 174.94 173.29 1x50 n THR 99 N -0.01 1.24 -3.67 4.00 5.66 -1.25 -5.00 114.28 115.25 1x50 n THR 99 Ca -0.15 -0.64 -0.09 0.00 -3.05 0.00 0.00 64.05 60.12 1x50 n THR 99 Cb 0.62 -0.86 -0.09 0.00 -1.55 0.00 0.00 70.33 68.46 1x50 n THR 99 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1x50 s HIS 100 N -2.43 -0.83 -0.59 1.09 -3.43 -1.26 -5.12 115.29 102.72 1x50 s HIS 100 Ca -0.18 1.70 -0.14 0.00 -0.80 0.00 0.00 55.06 55.64 1x50 s HIS 100 Cb 0.06 0.44 0.15 0.00 -1.43 0.00 0.00 32.58 31.80 1x50 s HIS 100 CO 0.63 -0.43 0.52 -0.80 -2.00 0.00 0.00 174.74 172.66 1x50 s ASN 101 N 1.49 6.18 0.31 7.38 -0.87 -1.26 -4.91 114.94 123.25 1x50 s ASN 101 Ca -0.10 -2.03 0.09 0.00 -1.57 0.00 0.00 52.86 49.26 1x50 s ASN 101 Cb -0.07 -2.16 0.49 0.00 -0.02 0.00 0.00 41.25 39.49 1x50 s ASN 101 CO -0.16 -0.76 1.70 1.55 -2.57 0.00 0.00 177.10 176.87 1x50 h PRO 102 N 8.53 0.10 -5.87 -0.60 0.13 -1.99 -3.43 132.00 128.86 1x50 h PRO 102 Ca -0.19 -0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.27 1x50 h PRO 102 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1x50 h PRO 102 CO 0.94 0.56 1.49 1.19 -0.23 0.00 0.00 178.00 181.94 1x50 n PHE 103 N -3.97 1.56 -4.33 1.56 3.72 -1.26 -4.93 117.46 109.81 1x50 n PHE 103 Ca -0.02 0.20 -0.18 0.00 -0.05 0.00 0.00 57.45 57.40 1x50 n PHE 103 Cb 0.51 -2.57 -0.15 0.00 -0.94 0.00 0.00 39.48 36.33 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 8.25 0.41 -0.47 1.37 0.00 -1.26 -4.58 107.32 111.04 1x50 s GLY 104 Ca 1.09 -0.35 -0.28 0.00 0.00 0.00 0.00 44.72 45.18 1x50 s GLY 104 CO 0.44 -0.28 1.78 2.56 0.00 0.00 0.00 173.10 177.60 1x50 s PRO 105 N -0.16 3.03 0.00 2.90 0.04 -1.26 -2.39 135.00 137.15 1x50 s PRO 105 Ca 0.03 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1x50 s PRO 105 Cb -0.04 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1x50 s PRO 105 CO -0.00 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1x50 n GLY 106 N 5.51 1.22 3.16 0.56 0.00 -0.41 -4.75 105.19 110.49 1x50 n GLY 106 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1x50 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x50 s GLN 107 N 0.00 0.81 0.93 1.61 -2.07 -1.01 -4.99 119.66 114.94 1x50 s GLN 107 Ca 0.00 -1.08 -0.14 0.00 -1.82 0.00 0.00 55.36 52.32 1x50 s GLN 107 Cb 0.00 -0.55 0.15 0.00 -1.09 0.00 0.00 33.01 31.52 1x50 s GLN 107 CO 0.00 0.09 1.20 -0.59 -1.32 0.00 0.00 175.29 174.67 1x50 s PHE 108 N -2.13 2.18 -0.27 9.60 -0.71 -1.26 -3.05 117.98 122.33 1x50 s PHE 108 Ca 0.02 0.65 -0.25 0.00 -1.04 0.00 0.00 56.93 56.31 1x50 s PHE 108 Cb -0.05 -3.62 0.07 0.00 -1.21 0.00 0.00 43.02 38.21 1x50 s PHE 108 CO 0.00 -2.44 0.73 -0.59 -1.34 0.00 0.00 175.22 171.58 1x50 s PHE 109 N -3.50 -0.79 -0.39 3.49 -0.71 -1.21 -4.82 117.98 110.05 1x50 s PHE 109 Ca 0.67 1.92 -0.06 0.00 -1.04 0.00 0.00 56.93 58.41 1x50 s PHE 109 Cb -0.10 0.28 0.08 0.00 -1.21 0.00 0.00 43.02 42.06 1x50 s PHE 109 CO 0.52 -0.38 0.20 0.34 -1.34 0.00 0.00 175.22 174.56 1x50 s ASP 110 N 0.39 5.42 -0.11 1.98 2.15 -1.26 -3.34 116.67 121.89 1x50 s ASP 110 Ca -0.00 -1.56 -0.03 0.00 0.43 0.00 0.00 52.55 51.38 1x50 s ASP 110 Cb -0.05 -1.90 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1x50 s ASP 110 CO 0.01 -0.48 0.03 -0.22 -0.17 0.00 0.00 175.17 174.33 1x50 s LEU 111 N 1.33 3.72 -0.16 -1.34 1.98 -0.79 -1.57 118.68 121.86 1x50 s LEU 111 Ca 0.03 0.17 -0.04 0.00 -2.89 0.00 0.00 54.13 51.40 1x50 s LEU 111 Cb -0.22 -1.88 0.08 0.00 0.66 0.00 0.00 46.19 44.83 1x50 s LEU 111 CO 0.00 0.35 0.20 -0.44 -1.89 0.00 0.00 176.35 174.57 1x50 s SER 112 N -0.68 1.13 -0.13 3.68 0.01 -0.63 0.22 113.70 117.29 1x50 s SER 112 Ca 0.11 0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.24 1x50 s SER 112 Cb -0.12 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 1x50 s SER 112 CO 0.02 -0.29 0.33 -0.63 0.41 0.00 0.00 173.24 173.08 1x50 s ILE 113 N 2.32 5.27 -0.18 1.44 1.09 -0.43 -0.49 121.20 130.22 1x50 s ILE 113 Ca 0.05 0.63 -0.06 0.00 -1.10 0.00 0.00 60.65 60.17 1x50 s ILE 113 Cb -0.14 -3.66 -0.03 0.00 -1.06 0.00 0.00 42.46 37.56 1x50 s ILE 113 CO -0.10 0.41 0.02 -0.13 -0.10 0.00 0.00 174.94 175.04 1x50 s ARG 114 N 0.26 3.79 -0.27 2.79 0.52 -0.40 0.31 118.95 125.95 1x50 s ARG 114 Ca 0.19 -0.44 -0.12 0.00 -0.52 0.00 0.00 55.73 54.84 1x50 s ARG 114 Cb -0.14 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 1x50 s ARG 114 CO 0.06 0.17 0.22 0.00 0.02 0.00 0.00 175.30 175.78 1x50 n GLY 116 N 4.77 4.08 0.00 0.00 0.00 -1.21 -4.05 105.19 108.78 1x50 n GLY 116 Ca -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 0.35 -0.08 0.99 4.77 -1.26 -4.07 117.00 117.71 1x50 n LEU 117 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1x50 n LEU 117 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1x50 n LEU 117 CO 0.00 0.06 -1.04 0.47 -1.33 0.00 0.00 177.39 175.55 1x50 n ASP 118 N -1.85 1.03 -3.65 -1.43 9.92 -1.26 -5.02 116.55 114.28 1x50 n ASP 118 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1x50 n ASP 118 Cb 0.42 0.13 -0.00 0.00 -0.64 0.00 0.00 41.12 41.03 1x50 n ASP 118 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x50 s ARG 119 N -2.53 0.66 0.30 -1.24 1.70 -1.26 -4.07 118.95 112.50 1x50 s ARG 119 Ca -0.18 -0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 54.70 1x50 s ARG 119 Cb 0.07 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1x50 s ARG 119 CO 0.76 -0.30 0.50 -0.06 -1.08 0.00 0.00 175.30 175.12 1x50 s PHE 120 N -2.58 3.49 -0.32 5.89 0.40 -1.04 -3.32 117.98 120.50 1x50 s PHE 120 Ca 0.16 0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.87 1x50 s PHE 120 Cb 0.02 -1.91 0.10 0.00 0.51 0.00 0.00 43.02 41.74 1x50 s PHE 120 CO -0.01 0.21 0.10 0.15 0.70 0.00 0.00 175.22 176.36 1x50 s LYS 121 N -3.91 0.81 0.04 0.44 1.02 -0.19 -3.00 119.74 114.95 1x50 s LYS 121 Ca 0.40 -1.19 -0.25 0.00 0.02 0.00 0.00 55.97 54.95 1x50 s LYS 121 Cb -0.10 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1x50 s LYS 121 CO 0.33 -0.99 0.78 0.08 -0.92 0.00 0.00 175.35 174.63 1x50 s VAL 122 N 1.50 4.75 0.17 3.17 1.01 -0.74 -1.28 120.40 128.98 1x50 s VAL 122 Ca 0.10 1.65 0.10 0.00 0.00 0.00 0.00 61.98 63.84 1x50 s VAL 122 Cb -0.18 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1x50 s VAL 122 CO -0.23 0.34 -0.22 -0.31 0.00 0.00 0.00 175.10 174.69 1x50 s TYR 123 N 0.07 2.06 -0.04 5.22 1.51 0.36 -1.67 117.35 124.86 1x50 s TYR 123 Ca 0.39 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1x50 s TYR 123 Cb -0.20 -1.04 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1x50 s TYR 123 CO 0.23 0.39 0.05 0.00 -1.11 0.00 0.00 175.55 175.12 1x50 s ALA 124 N -1.71 0.24 -1.09 3.71 0.00 0.83 -1.61 121.76 122.12 1x50 s ALA 124 Ca 0.17 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 1x50 s ALA 124 Cb -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1x50 s ALA 124 CO 0.08 -0.44 0.31 0.27 0.00 0.00 0.00 175.76 175.98 1x50 n ASN 125 N 5.14 -3.35 0.00 0.00 0.23 -0.61 0.53 115.26 117.20 1x50 n ASN 125 Ca -0.07 -0.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.81 1x50 n ASN 125 Cb 0.50 -2.82 0.00 0.00 -2.08 0.00 0.00 39.78 35.38 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 -0.99 0.49 3.39 4.83 0.00 -1.26 -5.06 105.19 106.58 1x50 n GLY 126 Ca -0.04 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.06 1.50 -0.33 1.61 -1.52 0.19 -5.12 119.66 112.92 1x50 s GLN 127 Ca 0.00 -1.80 -0.20 0.00 -1.95 0.00 0.00 55.36 51.41 1x50 s GLN 127 Cb 0.00 -0.73 -0.00 0.00 -0.22 0.00 0.00 33.01 32.06 1x50 s GLN 127 CO 0.00 -0.15 0.61 -1.58 -0.25 0.00 0.00 175.29 173.92 1x50 s HIS 128 N -3.37 3.19 -0.02 0.91 5.65 -1.26 -0.12 115.29 120.26 1x50 s HIS 128 Ca 0.33 0.43 -0.01 0.00 0.25 0.00 0.00 55.06 56.06 1x50 s HIS 128 Cb 0.07 -3.02 -0.00 0.00 -1.18 0.00 0.00 32.58 28.44 1x50 s HIS 128 CO 0.13 -0.53 -0.02 1.25 -0.65 0.00 0.00 174.74 174.91 1x50 h LEU 129 N 9.21 0.00 -7.66 8.88 5.85 -1.64 -3.45 115.31 126.50 1x50 h LEU 129 Ca -0.27 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.65 1x50 h LEU 129 Cb 1.12 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1x50 h LEU 129 CO 0.81 0.12 0.57 0.72 -0.34 0.00 0.00 178.44 180.32 1x50 s PHE 130 N -1.18 -0.06 0.22 1.25 -0.12 -1.23 -3.87 117.98 112.98 1x50 s PHE 130 Ca -0.02 -0.23 0.10 0.00 -0.05 0.00 0.00 56.93 56.73 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 0.03 -0.75 -0.10 0.16 -0.05 0.00 0.00 175.22 174.51 1x50 s ASP 131 N -3.07 4.15 -0.30 1.98 -4.77 -1.26 -1.80 116.67 111.60 1x50 s ASP 131 Ca 0.15 -0.69 0.03 0.00 -3.30 0.00 0.00 52.55 48.73 1x50 s ASP 131 Cb -0.01 -0.64 0.08 0.00 -1.09 0.00 0.00 42.92 41.26 1x50 s ASP 131 CO 0.02 0.07 -0.00 0.12 0.70 0.00 0.00 175.17 176.07 1x50 s PHE 132 N -1.99 3.14 0.28 2.11 5.36 -1.16 -4.96 117.98 120.76 1x50 s PHE 132 Ca 0.27 -2.45 -0.30 0.00 -0.96 0.00 0.00 56.93 53.48 1x50 s PHE 132 Cb -0.07 -2.28 -0.12 0.00 -0.34 0.00 0.00 43.02 40.21 1x50 s PHE 132 CO 0.16 -0.89 1.63 0.00 -1.46 0.00 0.00 175.22 174.66 1x50 s ALA 133 N 1.13 3.79 -0.53 11.12 0.00 -1.26 -2.49 121.76 133.52 1x50 s ALA 133 Ca 0.03 1.60 -0.26 0.00 0.00 0.00 0.00 51.96 53.32 1x50 s ALA 133 Cb -0.19 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.20 1x50 s ALA 133 CO -0.09 -0.99 2.32 -1.01 0.00 0.00 0.00 175.76 175.99 1x50 s HIS 134 N 0.23 1.17 -0.10 0.00 0.09 -1.26 -4.79 115.29 110.63 1x50 s HIS 134 Ca 0.66 1.46 -0.23 0.00 -0.00 0.00 0.00 55.06 56.95 1x50 s HIS 134 Cb -0.49 -3.66 -0.28 0.00 -0.00 0.00 0.00 32.58 28.16 1x50 s HIS 134 CO 0.45 -2.45 0.73 0.00 -0.00 0.00 0.00 174.74 173.47 1x50 h ARG 135 N 18.57 0.18 -4.87 1.40 3.08 -1.88 -3.43 114.38 127.42 1x50 h ARG 135 Ca -0.23 -0.31 -0.68 0.00 0.07 0.00 0.00 59.98 58.84 1x50 h ARG 135 Cb 1.24 0.11 -0.18 0.00 0.08 0.00 0.00 29.97 31.22 1x50 h ARG 135 CO 1.16 1.15 -0.30 -1.17 -1.07 0.00 0.00 179.97 179.74 1x50 s LEU 136 N -7.90 4.60 0.46 3.04 2.96 -1.26 -4.94 118.68 115.63 1x50 s LEU 136 Ca -0.18 -0.41 0.16 0.00 -0.22 0.00 0.00 54.13 53.49 1x50 s LEU 136 Cb 0.01 -2.32 1.12 0.00 0.50 0.00 0.00 46.19 45.50 1x50 s LEU 136 CO 0.76 -0.39 1.99 0.77 -1.32 0.00 0.00 176.35 178.15 1x50 h SER 137 N 8.54 0.28 -0.28 3.68 4.64 -2.01 -1.15 113.55 127.25 1x50 h SER 137 Ca -0.29 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.85 1x50 h SER 137 Cb 1.14 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.09 1x50 h SER 137 CO 0.71 0.16 0.24 0.00 -0.87 0.00 0.00 176.83 177.08 1x50 n ALA 138 N -2.54 4.40 0.13 5.18 0.00 -1.26 -4.46 120.51 121.95 1x50 n ALA 138 Ca 0.09 -0.96 0.17 0.00 0.00 0.00 0.00 53.44 52.75 1x50 n ALA 138 Cb 0.42 -1.20 0.74 0.00 0.00 0.00 0.00 19.45 19.41 1x50 n ALA 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x50 h PHE 139 N 1.07 0.00 -0.03 0.00 -0.00 -1.59 0.73 116.94 117.12 1x50 h PHE 139 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.11 1x50 h PHE 139 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.01 1x50 h PHE 139 CO 0.55 0.00 -0.15 -0.56 -0.00 0.00 0.00 178.31 178.14 1x50 h GLN 140 N 0.00 0.05 -0.41 6.09 -0.00 -1.78 -2.29 115.11 116.77 1x50 h GLN 140 Ca 0.15 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.71 1x50 h GLN 140 Cb 0.67 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 28.12 1x50 h GLN 140 CO -0.00 0.21 -0.05 0.00 -0.00 0.00 0.00 178.83 178.99 1x50 h ARG 141 N 0.05 0.68 -5.74 0.06 3.08 -1.19 -3.34 114.38 107.98 1x50 h ARG 141 Ca 0.01 -0.19 -0.54 0.00 0.07 0.00 0.00 59.98 59.32 1x50 h ARG 141 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1x50 h ARG 141 CO 0.02 0.74 1.56 0.28 -1.07 0.00 0.00 179.97 181.50 1x50 n VAL 142 N -4.21 0.10 -2.10 2.04 0.31 -0.86 -4.29 118.33 109.33 1x50 n VAL 142 Ca 0.02 -0.53 -0.07 0.00 -0.01 0.00 0.00 64.34 63.74 1x50 n VAL 142 Cb 0.31 -2.32 0.08 0.00 -0.91 0.00 0.00 33.84 31.00 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 13.05 2.88 -3.80 4.52 9.92 -1.17 -2.47 116.55 139.48 1x50 n ASP 143 Ca 0.38 -3.28 -0.13 0.00 -0.53 0.00 0.00 54.79 51.24 1x50 n ASP 143 Cb 0.41 -0.42 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 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 -3.46 -0.01 -0.23 -3.53 2.01 0.18 -0.12 115.64 110.47 1x50 s THR 144 Ca 0.41 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 1x50 s THR 144 Cb 0.38 -0.25 0.07 0.00 0.01 0.00 0.00 72.50 72.72 1x50 s THR 144 CO -0.03 0.01 0.06 -0.22 -0.69 0.00 0.00 174.62 173.75 1x50 s LEU 145 N 0.31 1.34 0.08 4.42 2.96 0.55 -1.56 118.68 126.78 1x50 s LEU 145 Ca -0.02 -1.07 0.05 0.00 -0.22 0.00 0.00 54.13 52.87 1x50 s LEU 145 Cb -0.03 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1x50 s LEU 145 CO -0.01 -0.35 -0.01 -1.83 -1.32 0.00 0.00 176.35 172.82 1x50 s GLU 146 N 1.83 2.53 -0.22 1.98 -1.05 -0.51 0.06 118.70 123.32 1x50 s GLU 146 Ca 0.03 -0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 53.98 1x50 s GLU 146 Cb -0.17 -2.53 0.07 0.00 -0.44 0.00 0.00 34.13 31.07 1x50 s GLU 146 CO -0.16 0.55 0.08 0.42 0.95 0.00 0.00 175.26 177.10 1x50 s ILE 147 N -1.26 0.20 0.47 1.83 1.01 -0.29 -1.94 121.20 121.22 1x50 s ILE 147 Ca 0.24 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1x50 s ILE 147 Cb -0.12 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1x50 s ILE 147 CO 0.17 -0.40 0.05 0.00 0.00 0.00 0.00 174.94 174.76 1x50 s GLN 148 N 1.99 2.12 0.00 2.79 0.00 -0.91 -1.13 119.66 124.51 1x50 s GLN 148 Ca 0.03 -2.21 0.00 0.00 -0.00 0.00 0.00 55.36 53.18 1x50 s GLN 148 Cb -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 33.01 31.18 1x50 s GLN 148 CO -0.16 -0.24 0.00 0.41 0.00 0.00 0.00 175.29 175.29 1x50 n GLY 149 N -1.19 0.52 3.00 2.60 0.00 -1.26 -0.75 105.19 108.11 1x50 n GLY 149 Ca -0.11 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 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 4.64 -0.16 1.61 1.11 -0.75 -4.91 116.67 114.21 1x50 s ASP 150 Ca 0.00 -2.82 -0.12 0.00 0.18 0.00 0.00 52.55 49.79 1x50 s ASP 150 Cb 0.00 -1.70 0.05 0.00 1.07 0.00 0.00 42.92 42.34 1x50 s ASP 150 CO 0.00 -0.30 0.41 0.54 1.18 0.00 0.00 175.17 177.00 1x50 s VAL 151 N -0.02 -0.01 -0.79 -1.27 0.11 -1.26 -3.65 120.40 113.51 1x50 s VAL 151 Ca 0.16 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 59.08 1x50 s VAL 151 Cb -0.24 -0.59 0.16 0.00 -1.53 0.00 0.00 36.38 34.19 1x50 s VAL 151 CO -0.02 0.02 0.84 -0.89 -3.33 0.00 0.00 175.10 171.71 1x50 s THR 152 N 0.73 5.17 0.18 5.04 2.01 0.41 -4.90 115.64 124.28 1x50 s THR 152 Ca -0.04 -1.84 -0.30 0.00 0.31 0.00 0.00 61.69 59.82 1x50 s THR 152 Cb -0.05 -4.55 -0.08 0.00 0.01 0.00 0.00 72.50 67.83 1x50 s THR 152 CO -0.05 -1.17 1.07 -0.76 -0.69 0.00 0.00 174.62 173.01 1x50 s LEU 153 N 1.50 4.51 0.00 4.42 1.43 -1.26 0.10 118.68 129.38 1x50 s LEU 153 Ca 0.20 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1x50 s LEU 153 Cb -0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1x50 s LEU 153 CO -0.05 -0.16 0.00 -1.20 0.23 0.00 0.00 176.35 175.16 1x50 n SER 154 N 2.24 3.44 -3.73 2.29 7.64 0.29 -4.07 113.62 121.72 1x50 n SER 154 Ca 0.02 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.74 1x50 n SER 154 Cb 0.46 0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.84 -0.07 -0.23 1.43 6.14 -0.08 -3.18 117.35 119.52 1x50 s TYR 155 Ca 0.00 0.35 -0.04 0.00 0.64 0.00 0.00 57.07 58.02 1x50 s TYR 155 Cb 0.00 -0.22 0.08 0.00 0.42 0.00 0.00 41.96 42.24 1x50 s TYR 155 CO 0.00 -0.16 0.12 0.08 0.64 0.00 0.00 175.55 176.23 1x50 s VAL 156 N 1.46 -0.10 -0.17 3.14 1.01 -1.25 -0.82 120.40 123.66 1x50 s VAL 156 Ca -0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1x50 s VAL 156 Cb -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1x50 s VAL 156 CO -0.05 -0.48 -0.18 -1.58 0.00 0.00 0.00 175.10 172.81 1x50 s GLN 157 N 2.14 2.77 -0.94 2.72 0.74 -1.21 -3.45 119.66 122.43 1x50 s GLN 157 Ca 0.06 -0.76 -0.17 0.00 0.05 0.00 0.00 55.36 54.54 1x50 s GLN 157 Cb -0.16 -2.44 0.16 0.00 1.10 0.00 0.00 33.01 31.67 1x50 s GLN 157 CO -0.22 -0.22 1.09 0.42 -0.55 0.00 0.00 175.29 175.80 1x50 s ILE 158 N 1.35 4.97 0.13 -2.34 1.01 -1.26 -3.71 121.20 121.34 1x50 s ILE 158 Ca 0.05 -1.91 -0.30 0.00 0.00 0.00 0.00 60.65 58.48 1x50 s ILE 158 Cb -0.13 -4.73 -0.07 0.00 0.01 0.00 0.00 42.46 37.54 1x50 s ILE 158 CO -0.12 -1.42 1.24 -0.94 0.00 0.00 0.00 174.94 173.70 1x50 s SER 159 N 3.20 7.03 0.00 3.58 1.04 -1.04 -4.95 113.70 122.57 1x50 s SER 159 Ca 0.31 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.92 1x50 s SER 159 Cb -0.06 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1x50 s SER 159 CO -0.08 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1x50 n GLY 160 N 2.79 1.22 3.59 7.32 0.00 -1.26 -1.06 105.19 117.79 1x50 n GLY 160 Ca 0.07 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 1.24 3.21 -1.04 1.61 0.04 -1.26 -4.92 135.00 133.89 1x50 s PRO 161 Ca 0.00 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 61.94 1x50 s PRO 161 Cb 0.00 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.31 1x50 s PRO 161 CO 0.00 -2.01 1.82 -1.54 0.04 0.00 0.00 177.00 175.31 1x50 s SER 162 N 6.13 5.58 0.97 6.66 1.04 -1.26 -4.81 113.70 128.00 1x50 s SER 162 Ca 0.73 -1.26 -0.12 0.00 0.48 0.00 0.00 55.95 55.78 1x50 s SER 162 Cb -0.18 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.54 1x50 s SER 162 CO 0.30 -2.40 1.09 -0.55 0.98 0.00 0.00 173.24 172.66 1x50 s SER 163 N 6.63 2.86 0.00 7.02 0.15 -1.26 -5.22 113.70 123.88 1x50 s SER 163 Ca 0.63 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1x50 s SER 163 Cb -0.03 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1x50 s SER 163 CO 0.02 -3.00 0.00 0.61 1.20 0.00 0.00 173.24 172.07