#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 3.09 0.20 1.61 0.15 -1.26 -5.11 113.70 112.38 1x50 s SER 2 Ca 0.00 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 53.83 1x50 s SER 2 Cb 0.00 -0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 63.43 1x50 s SER 2 CO 0.00 -0.23 0.08 -0.94 1.20 0.00 0.00 173.24 173.35 1x50 s SER 3 N 0.17 0.78 0.00 5.45 1.04 -1.26 -5.17 113.70 114.71 1x50 s SER 3 Ca 0.23 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1x50 s SER 3 Cb -0.14 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1x50 s SER 3 CO -0.07 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1x50 n GLY 4 N -0.30 2.73 3.71 7.32 0.00 -1.26 -5.16 105.19 112.23 1x50 n GLY 4 Ca -0.02 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.49 3.94 0.26 1.61 0.01 -1.26 -5.17 113.70 112.61 1x50 s SER 5 Ca 0.00 -1.58 0.02 0.00 1.31 0.00 0.00 55.95 55.69 1x50 s SER 5 Cb 0.00 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1x50 s SER 5 CO 0.00 -0.76 0.08 -0.44 0.41 0.00 0.00 173.24 172.53 1x50 s SER 6 N -3.81 1.42 -0.46 2.44 0.01 -1.26 -5.12 113.70 106.92 1x50 s SER 6 Ca 0.14 -1.36 0.07 0.00 1.31 0.00 0.00 55.95 56.11 1x50 s SER 6 Cb 0.04 0.11 0.23 0.00 0.21 0.00 0.00 66.02 66.61 1x50 s SER 6 CO 0.07 -0.69 0.71 0.61 0.41 0.00 0.00 173.24 174.36 1x50 n GLY 7 N -0.48 0.93 3.25 3.44 0.00 -1.26 -5.13 105.19 105.94 1x50 n GLY 7 Ca -0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1x50 n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x50 s HIS 8 N 0.13 2.18 0.37 1.61 0.00 -1.26 -5.13 115.29 113.18 1x50 s HIS 8 Ca 0.33 -0.54 -0.10 0.00 -3.00 0.00 0.00 55.06 51.74 1x50 s HIS 8 Cb 0.16 -1.42 -0.07 0.00 -4.00 0.00 0.00 32.58 27.25 1x50 s HIS 8 CO -0.18 -0.13 0.72 -0.65 -1.00 0.00 0.00 174.74 173.51 1x50 s GLN 9 N -0.31 3.79 0.22 -0.38 1.11 -1.26 -5.10 119.66 117.74 1x50 s GLN 9 Ca 0.02 0.42 0.10 0.00 0.01 0.00 0.00 55.36 55.91 1x50 s GLN 9 Cb -0.11 -2.45 -0.04 0.00 -1.01 0.00 0.00 33.01 29.39 1x50 s GLN 9 CO 0.01 0.05 -0.12 -0.65 0.01 0.00 0.00 175.29 174.59 1x50 s GLN 10 N -3.62 1.95 0.04 2.91 -1.52 -1.26 -5.14 119.66 113.02 1x50 s GLN 10 Ca 0.50 -1.44 -0.04 0.00 -1.95 0.00 0.00 55.36 52.44 1x50 s GLN 10 Cb -0.10 -2.04 -0.05 0.00 -0.22 0.00 0.00 33.01 30.60 1x50 s GLN 10 CO 0.28 0.39 0.26 -0.51 -0.25 0.00 0.00 175.29 175.46 1x50 s LEU 11 N -3.11 4.35 -0.87 2.90 1.43 -1.26 -5.05 118.68 117.08 1x50 s LEU 11 Ca 0.26 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.69 1x50 s LEU 11 Cb -0.07 -2.82 0.23 0.00 0.03 0.00 0.00 46.19 43.55 1x50 s LEU 11 CO 0.15 0.21 0.81 0.21 0.23 0.00 0.00 176.35 177.96 1x50 s ASN 12 N -2.03 6.83 0.14 2.29 2.47 -1.26 -4.98 114.94 118.40 1x50 s ASN 12 Ca 0.31 -2.82 -0.25 0.00 0.42 0.00 0.00 52.86 50.52 1x50 s ASN 12 Cb -0.13 -2.21 0.07 0.00 -1.45 0.00 0.00 41.25 37.53 1x50 s ASN 12 CO 0.20 -0.53 0.96 -0.44 -3.72 0.00 0.00 177.10 173.57 1x50 s SER 13 N 2.03 -0.19 0.73 -4.21 0.01 -1.26 -5.16 113.70 105.65 1x50 s SER 13 Ca 0.20 -0.36 -0.16 0.00 1.31 0.00 0.00 55.95 56.93 1x50 s SER 13 Cb -0.10 0.48 -0.05 0.00 0.21 0.00 0.00 66.02 66.55 1x50 s SER 13 CO -0.09 -0.87 0.40 0.18 0.41 0.00 0.00 173.24 173.28 1x50 n LEU 14 N -0.45 0.09 0.00 2.44 4.77 -1.26 -4.99 117.00 117.60 1x50 n LEU 14 Ca -0.06 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1x50 n LEU 14 Cb 0.61 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1x50 n LEU 14 CO 0.13 -3.41 0.00 -0.81 -1.33 0.00 0.00 177.39 171.97 1x50 n PRO 15 N -0.44 -0.24 -3.16 3.23 -0.04 -1.26 -5.03 135.00 128.06 1x50 n PRO 15 Ca 0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 1x50 n PRO 15 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1x50 n PRO 15 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 16 N -0.61 4.83 -0.88 0.52 2.01 -1.26 -4.83 115.64 115.41 1x50 s THR 16 Ca 0.00 0.60 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 1x50 s THR 16 Cb 0.00 -3.66 0.19 0.00 0.01 0.00 0.00 72.50 69.04 1x50 s THR 16 CO 0.00 -0.27 0.92 -0.04 -0.69 0.00 0.00 174.62 174.54 1x50 s MET 17 N -3.26 3.63 0.27 4.92 1.00 -1.26 -5.03 119.30 119.57 1x50 s MET 17 Ca 0.50 -2.24 0.08 0.00 0.00 0.00 0.00 55.69 54.03 1x50 s MET 17 Cb -0.11 -4.62 -0.04 0.00 0.00 0.00 0.00 34.83 30.06 1x50 s MET 17 CO 0.24 -1.47 0.09 -1.83 0.00 0.00 0.00 175.02 172.05 1x50 s GLU 18 N 1.03 2.55 0.87 2.03 -1.05 -1.26 -4.96 118.70 117.91 1x50 s GLU 18 Ca 0.24 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 1x50 s GLU 18 Cb -0.08 -2.32 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 1x50 s GLU 18 CO -0.09 0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.88 1x50 n GLY 19 N -1.03 0.91 3.67 -3.83 0.00 -1.26 -4.97 105.19 98.67 1x50 n GLY 19 Ca -0.07 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 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 0.25 0.00 1.61 0.04 -1.26 -5.06 135.00 130.58 1x50 s PRO 20 Ca 0.00 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1x50 s PRO 20 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1x50 s PRO 20 CO 0.00 -2.84 0.00 -0.35 0.04 0.00 0.00 177.00 173.85 1x50 n PRO 21 N -4.25 -0.95 -4.02 0.56 -0.04 -1.26 -5.06 135.00 119.98 1x50 n PRO 21 Ca 0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1x50 n PRO 21 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 1x50 n PRO 21 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 22 N -0.96 4.82 -0.14 0.52 2.01 -1.18 -5.04 115.64 115.67 1x50 s THR 22 Ca 0.00 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 1x50 s THR 22 Cb 0.00 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 69.13 1x50 s THR 22 CO 0.00 -0.03 0.35 -0.36 -0.69 0.00 0.00 174.62 173.90 1x50 s PHE 23 N -1.65 -0.44 -1.52 4.92 0.40 -1.26 -3.47 117.98 114.96 1x50 s PHE 23 Ca 0.32 1.02 -0.05 0.00 -0.60 0.00 0.00 56.93 57.62 1x50 s PHE 23 Cb -0.11 0.16 0.05 0.00 0.51 0.00 0.00 43.02 43.62 1x50 s PHE 23 CO 0.25 -0.24 0.44 -1.71 0.70 0.00 0.00 175.22 174.66 1x50 n ASN 24 N 3.48 -0.86 -4.76 1.36 2.85 0.54 -4.88 115.26 113.00 1x50 n ASN 24 Ca -0.18 -1.07 -0.41 0.00 -0.11 0.00 0.00 54.58 52.82 1x50 n ASN 24 Cb 0.56 -2.66 -0.03 0.00 1.24 0.00 0.00 39.78 38.89 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x50 s PRO 25 N -6.83 4.45 0.58 1.20 0.04 -1.25 -4.99 135.00 128.21 1x50 s PRO 25 Ca 0.21 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1x50 s PRO 25 Cb -0.12 -3.14 0.14 0.00 0.04 0.00 0.00 34.50 31.43 1x50 s PRO 25 CO 0.92 -0.08 0.52 -0.35 0.04 0.00 0.00 177.00 178.05 1x50 n PRO 26 N 1.34 -2.03 -3.83 0.56 -0.04 -1.26 -4.46 135.00 125.29 1x50 n PRO 26 Ca 0.01 -0.83 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 1x50 n PRO 26 Cb 0.43 -0.78 -0.13 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.94 -0.01 0.42 0.52 1.01 -1.26 -3.12 120.40 116.02 1x50 s VAL 27 Ca 0.34 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 1x50 s VAL 27 Cb -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 1x50 s VAL 27 CO 0.26 0.01 1.18 -2.16 0.00 0.00 0.00 175.10 174.39 1x50 s PRO 28 N 0.24 3.94 -0.27 2.72 0.04 -1.26 -5.05 135.00 135.36 1x50 s PRO 28 Ca -0.02 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.03 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1x50 s PRO 28 CO -0.01 -0.42 0.29 -0.47 0.04 0.00 0.00 177.00 176.43 1x50 s TYR 29 N -1.45 3.25 -0.45 0.56 6.14 -0.80 -4.89 117.35 119.71 1x50 s TYR 29 Ca 0.59 0.30 -0.13 0.00 0.64 0.00 0.00 57.07 58.47 1x50 s TYR 29 Cb -0.31 -2.47 0.08 0.00 0.42 0.00 0.00 41.96 39.68 1x50 s TYR 29 CO 0.38 -0.17 0.35 -0.06 0.64 0.00 0.00 175.55 176.69 1x50 s PHE 30 N 1.83 3.28 -0.41 4.97 0.08 -1.26 -1.83 117.98 124.65 1x50 s PHE 30 Ca 0.12 -1.15 -0.11 0.00 0.12 0.00 0.00 56.93 55.90 1x50 s PHE 30 Cb -0.16 -3.11 0.05 0.00 -0.57 0.00 0.00 43.02 39.24 1x50 s PHE 30 CO 0.10 -0.82 0.26 0.20 -0.10 0.00 0.00 175.22 174.86 1x50 s GLY 31 N 2.45 1.97 -0.25 4.36 0.00 0.86 -4.99 107.32 111.73 1x50 s GLY 31 Ca 0.04 -1.93 -0.29 0.00 0.00 0.00 0.00 44.72 42.53 1x50 s GLY 31 CO 0.05 0.93 1.40 0.50 0.00 0.00 0.00 173.10 175.97 1x50 s ARG 32 N 1.53 3.94 -0.44 2.90 1.81 -1.26 -1.37 118.95 126.05 1x50 s ARG 32 Ca 0.03 1.45 -0.28 0.00 -1.72 0.00 0.00 55.73 55.22 1x50 s ARG 32 Cb -0.21 -3.91 0.03 0.00 -0.45 0.00 0.00 34.95 30.40 1x50 s ARG 32 CO 0.05 -1.10 1.04 -0.51 -0.68 0.00 0.00 175.30 174.10 1x50 s LEU 33 N 4.47 3.83 -0.80 2.53 1.43 -0.44 -4.46 118.68 125.23 1x50 s LEU 33 Ca 0.61 0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 53.91 1x50 s LEU 33 Cb -0.20 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1x50 s LEU 33 CO 0.24 -1.09 1.40 -1.10 0.23 0.00 0.00 176.35 176.02 1x50 s GLN 34 N 4.02 3.22 0.00 1.70 -0.21 -1.26 -3.67 119.66 123.45 1x50 s GLN 34 Ca 0.43 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1x50 s GLN 34 Cb -0.09 -4.53 0.00 0.00 1.00 0.00 0.00 33.01 29.39 1x50 s GLN 34 CO 0.26 -2.26 0.00 0.41 -2.12 0.00 0.00 175.29 171.58 1x50 n GLY 35 N 5.84 3.64 0.00 3.09 0.00 -1.26 -5.08 105.19 111.41 1x50 n GLY 35 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.95 3.53 -0.02 0.00 -1.24 -4.94 105.19 104.47 1x50 n GLY 36 Ca 0.00 -2.04 -0.47 0.00 0.00 0.00 0.00 46.02 43.51 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 2.72 -4.18 0.99 4.77 -0.78 -4.94 117.00 115.58 1x50 n LEU 37 Ca 0.00 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.14 1x50 n LEU 37 Cb 0.00 -1.40 -0.13 0.00 -2.33 0.00 0.00 43.42 39.56 1x50 n LEU 37 CO 0.00 -0.66 -0.48 0.42 -1.33 0.00 0.00 177.39 175.34 1x50 s THR 38 N 7.48 1.27 0.46 -5.08 -4.23 -1.26 -4.06 115.64 110.21 1x50 s THR 38 Ca 1.05 -1.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.66 1x50 s THR 38 Cb -0.62 -1.14 0.22 0.00 1.34 0.00 0.00 72.50 72.29 1x50 s THR 38 CO 0.43 0.01 1.64 0.00 -0.54 0.00 0.00 174.62 176.16 1x50 h ALA 39 N 4.78 1.35 -0.63 3.99 0.00 -1.78 0.61 119.26 127.58 1x50 h ALA 39 Ca -0.40 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.18 1x50 h ALA 39 Cb 1.18 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 1x50 h ALA 39 CO 0.43 -0.35 0.21 0.54 0.00 0.00 0.00 179.25 180.09 1x50 n ARG 40 N -2.58 2.05 -4.85 0.00 3.00 -1.26 -4.65 116.66 108.36 1x50 n ARG 40 Ca -0.01 -3.15 -0.32 0.00 -0.01 0.00 0.00 57.85 54.36 1x50 n ARG 40 Cb 0.42 -1.98 -0.13 0.00 0.00 0.00 0.00 32.46 30.76 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 -3.30 2.26 -0.05 5.56 3.52 0.21 -3.80 118.95 123.35 1x50 s ARG 41 Ca 0.50 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1x50 s ARG 41 Cb 0.44 -2.25 0.03 0.00 -1.56 0.00 0.00 34.95 31.61 1x50 s ARG 41 CO 0.04 0.58 0.04 0.99 -0.81 0.00 0.00 175.30 176.14 1x50 s THR 42 N -0.80 0.04 -0.09 4.11 2.01 -1.25 -2.11 115.64 117.55 1x50 s THR 42 Ca 0.13 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 1x50 s THR 42 Cb -0.10 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 1x50 s THR 42 CO 0.02 0.20 0.37 -0.63 -0.69 0.00 0.00 174.62 173.89 1x50 s ILE 43 N 2.03 5.19 -0.12 1.82 1.09 0.16 -2.53 121.20 128.85 1x50 s ILE 43 Ca 0.04 0.72 -0.00 0.00 -1.10 0.00 0.00 60.65 60.31 1x50 s ILE 43 Cb -0.12 -3.69 0.03 0.00 -1.06 0.00 0.00 42.46 37.62 1x50 s ILE 43 CO -0.04 0.46 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.56 1x50 s ILE 44 N -0.14 1.00 -0.29 2.92 1.01 -1.22 0.39 121.20 124.87 1x50 s ILE 44 Ca 0.21 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1x50 s ILE 44 Cb -0.15 -1.04 0.07 0.00 0.01 0.00 0.00 42.46 41.35 1x50 s ILE 44 CO 0.09 0.34 -0.05 -0.63 0.00 0.00 0.00 174.94 174.69 1x50 s ILE 45 N 1.72 2.34 -0.34 2.92 1.01 0.13 -3.43 121.20 125.54 1x50 s ILE 45 Ca 0.05 -1.79 -0.07 0.00 0.00 0.00 0.00 60.65 58.84 1x50 s ILE 45 Cb -0.13 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 39.92 1x50 s ILE 45 CO -0.08 -0.19 0.12 -0.54 0.00 0.00 0.00 174.94 174.24 1x50 s LYS 46 N 1.07 2.66 0.00 2.79 1.02 -0.39 -1.87 119.74 125.02 1x50 s LYS 46 Ca -0.03 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1x50 s LYS 46 Cb -0.20 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1x50 s LYS 46 CO -0.05 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 1x50 n GLY 47 N 4.84 5.00 3.62 -3.33 0.00 -1.22 -0.76 105.19 113.35 1x50 n GLY 47 Ca -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 1x50 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x50 s TYR 48 N 0.72 -0.93 -0.26 1.61 6.14 0.25 -3.17 117.35 121.71 1x50 s TYR 48 Ca 0.00 1.79 -0.29 0.00 0.64 0.00 0.00 57.07 59.21 1x50 s TYR 48 Cb 0.00 0.56 0.00 0.00 0.42 0.00 0.00 41.96 42.94 1x50 s TYR 48 CO 0.00 -0.46 1.18 0.08 0.64 0.00 0.00 175.55 176.99 1x50 s VAL 49 N 1.78 4.37 0.66 3.14 1.01 -1.21 -1.25 120.40 128.89 1x50 s VAL 49 Ca -0.09 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 1x50 s VAL 49 Cb -0.06 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1x50 s VAL 49 CO -0.18 -0.35 1.11 -2.16 0.00 0.00 0.00 175.10 173.52 1x50 s PRO 50 N 3.71 2.82 0.22 2.72 0.04 -1.26 -0.35 135.00 142.89 1x50 s PRO 50 Ca 0.51 1.39 0.22 0.00 0.04 0.00 0.00 61.00 63.16 1x50 s PRO 50 Cb -0.16 -1.95 0.92 0.00 0.04 0.00 0.00 34.50 33.35 1x50 s PRO 50 CO 0.16 -1.24 1.67 -0.35 0.04 0.00 0.00 177.00 177.28 1x50 n PRO 51 N -2.39 0.16 -0.30 0.56 -0.04 -1.26 -2.23 135.00 129.50 1x50 n PRO 51 Ca 0.10 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 1x50 n PRO 51 Cb 0.52 -1.81 0.20 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.12 1.83 -4.06 0.52 -2.24 -1.26 -4.94 114.28 102.00 1x50 n THR 52 Ca 0.02 -1.65 -0.35 0.00 -2.27 0.00 0.00 64.05 59.81 1x50 n THR 52 Cb 0.22 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.75 1.67 0.02 3.38 0.00 -0.94 -5.02 107.32 104.67 1x50 s GLY 53 Ca 0.33 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.76 1x50 s GLY 53 CO 0.09 0.28 1.12 0.50 0.00 0.00 0.00 173.10 175.10 1x50 h LYS 54 N 7.68 -0.83 -1.58 2.90 1.57 -1.87 -3.45 116.57 120.98 1x50 h LYS 54 Ca -0.37 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 58.66 1x50 h LYS 54 Cb 1.17 0.19 -0.20 0.00 0.08 0.00 0.00 32.23 33.47 1x50 h LYS 54 CO 0.60 -0.56 0.72 -1.54 -0.57 0.00 0.00 179.45 178.11 1x50 s SER 55 N -4.00 -0.21 0.26 0.86 1.04 -1.26 -4.28 113.70 106.11 1x50 s SER 55 Ca -0.13 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.41 1x50 s SER 55 Cb 0.01 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1x50 s SER 55 CO 0.38 -0.30 0.17 2.22 0.98 0.00 0.00 173.24 176.69 1x50 n PHE 56 N 0.13 -0.88 -3.66 5.02 -1.74 -1.25 -1.98 117.46 113.10 1x50 n PHE 56 Ca -0.03 -1.11 -0.11 0.00 -0.56 0.00 0.00 57.45 55.64 1x50 n PHE 56 Cb 0.59 -0.21 -0.08 0.00 1.52 0.00 0.00 39.48 41.30 1x50 n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x50 s ALA 57 N -2.38 -1.53 -0.40 1.98 0.00 0.22 -3.81 121.76 115.85 1x50 s ALA 57 Ca 0.13 1.89 0.02 0.00 0.00 0.00 0.00 51.96 53.99 1x50 s ALA 57 Cb -0.01 -1.11 0.11 0.00 0.00 0.00 0.00 23.12 22.11 1x50 s ALA 57 CO 0.08 -0.31 0.14 0.42 0.00 0.00 0.00 175.76 176.10 1x50 s ILE 58 N 0.89 2.69 0.00 0.00 1.09 -0.24 -1.66 121.20 123.98 1x50 s ILE 58 Ca -0.05 -2.43 -0.08 0.00 -1.10 0.00 0.00 60.65 57.00 1x50 s ILE 58 Cb -0.05 -2.91 -0.05 0.00 -1.06 0.00 0.00 42.46 38.39 1x50 s ILE 58 CO -0.08 -0.67 0.29 0.20 -0.10 0.00 0.00 174.94 174.58 1x50 s ASN 59 N 1.00 6.54 -0.44 3.58 0.01 -0.90 -2.74 114.94 121.99 1x50 s ASN 59 Ca 0.11 0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 52.88 1x50 s ASN 59 Cb -0.21 -2.12 0.12 0.00 0.41 0.00 0.00 41.25 39.45 1x50 s ASN 59 CO -0.06 0.26 0.21 -0.36 -1.51 0.00 0.00 177.10 175.65 1x50 s PHE 60 N -1.26 3.57 0.48 2.20 0.40 0.04 -1.78 117.98 121.62 1x50 s PHE 60 Ca 0.27 -2.67 0.04 0.00 -0.60 0.00 0.00 56.93 53.96 1x50 s PHE 60 Cb -0.14 -3.12 0.02 0.00 0.51 0.00 0.00 43.02 40.29 1x50 s PHE 60 CO 0.15 -0.93 0.67 0.21 0.70 0.00 0.00 175.22 176.02 1x50 s LYS 61 N 0.77 2.75 -0.25 0.44 2.20 0.45 -1.05 119.74 125.05 1x50 s LYS 61 Ca 0.11 -0.92 -0.10 0.00 -0.36 0.00 0.00 55.97 54.70 1x50 s LYS 61 Cb -0.22 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1x50 s LYS 61 CO -0.05 -0.45 0.16 0.08 -0.36 0.00 0.00 175.35 174.74 1x50 s VAL 62 N -2.55 5.30 0.53 4.02 1.01 -0.93 -0.88 120.40 126.91 1x50 s VAL 62 Ca 0.54 0.16 0.19 0.00 0.00 0.00 0.00 61.98 62.88 1x50 s VAL 62 Cb -0.10 -3.49 0.29 0.00 0.00 0.00 0.00 36.38 33.09 1x50 s VAL 62 CO 0.36 0.32 2.16 1.23 0.00 0.00 0.00 175.10 179.17 1x50 h GLY 63 N 7.74 0.00 0.00 4.51 0.00 -1.78 -1.22 103.07 112.32 1x50 h GLY 63 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1x50 h GLY 63 CO 0.63 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.91 1x50 n SER 64 N -4.41 0.00 0.00 0.19 2.88 -1.26 -4.75 113.62 106.28 1x50 n SER 64 Ca -0.02 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1x50 n SER 64 Cb 0.12 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1x50 n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x50 n SER 65 N -1.44 0.00 0.00 -3.46 2.88 -1.23 -5.04 113.62 105.33 1x50 n SER 65 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1x50 n SER 65 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1x50 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 66 N 1.70 0.58 3.51 0.46 0.00 -0.46 -4.96 105.19 106.02 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 -1.13 4.25 -0.23 1.61 1.01 -1.26 -4.70 116.67 116.22 1x50 s ASP 67 Ca 0.00 -0.14 -0.25 0.00 0.71 0.00 0.00 52.55 52.87 1x50 s ASP 67 Cb 0.00 -1.02 -0.01 0.00 1.01 0.00 0.00 42.92 42.90 1x50 s ASP 67 CO 0.00 0.34 0.84 -0.63 0.21 0.00 0.00 175.17 175.92 1x50 s ILE 68 N -0.67 4.84 -0.05 0.77 1.01 0.22 -2.18 121.20 125.14 1x50 s ILE 68 Ca 0.10 1.59 0.11 0.00 0.00 0.00 0.00 60.65 62.46 1x50 s ILE 68 Cb -0.11 -4.13 -0.23 0.00 0.01 0.00 0.00 42.46 38.00 1x50 s ILE 68 CO 0.01 -0.06 0.65 0.00 0.00 0.00 0.00 174.94 175.54 1x50 n ALA 69 N 5.88 1.45 -3.57 9.38 0.00 -0.21 -2.03 120.51 131.41 1x50 n ALA 69 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1x50 n ALA 69 Cb 0.48 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1x50 n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x50 s LEU 70 N -6.15 0.95 -0.37 0.00 2.96 -1.25 -4.55 118.68 110.27 1x50 s LEU 70 Ca -0.06 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1x50 s LEU 70 Cb 0.08 0.33 0.13 0.00 0.50 0.00 0.00 46.19 47.23 1x50 s LEU 70 CO 0.82 -0.12 0.19 -2.28 -1.32 0.00 0.00 176.35 173.64 1x50 s HIS 71 N 0.91 1.29 -0.12 5.38 5.65 0.67 -0.78 115.29 128.30 1x50 s HIS 71 Ca -0.07 -1.86 -0.15 0.00 0.25 0.00 0.00 55.06 53.24 1x50 s HIS 71 Cb -0.09 -1.39 -0.05 0.00 -1.18 0.00 0.00 32.58 29.87 1x50 s HIS 71 CO -0.04 -0.82 0.35 0.42 -0.65 0.00 0.00 174.74 173.99 1x50 s ILE 72 N 1.01 5.24 -0.23 0.89 1.01 -1.11 -0.63 121.20 127.38 1x50 s ILE 72 Ca 0.16 0.68 -0.04 0.00 0.00 0.00 0.00 60.65 61.44 1x50 s ILE 72 Cb -0.22 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.65 1x50 s ILE 72 CO -0.07 0.43 0.10 0.21 0.00 0.00 0.00 174.94 175.61 1x50 s ASN 73 N 0.10 2.94 0.65 3.58 3.04 -0.54 -1.08 114.94 123.63 1x50 s ASN 73 Ca 0.20 -0.94 -0.15 0.00 0.04 0.00 0.00 52.86 52.01 1x50 s ASN 73 Cb -0.14 -0.34 -0.00 0.00 -1.54 0.00 0.00 41.25 39.22 1x50 s ASN 73 CO 0.07 -0.38 1.11 -2.16 -3.04 0.00 0.00 177.10 172.70 1x50 s PRO 74 N 2.07 2.82 -0.39 0.43 0.04 -1.25 -2.25 135.00 136.48 1x50 s PRO 74 Ca 0.05 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1x50 s PRO 74 Cb -0.16 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.55 1x50 s PRO 74 CO -0.21 -1.24 0.17 1.03 0.04 0.00 0.00 177.00 176.80 1x50 s ARG 75 N -4.07 1.13 0.72 4.56 0.52 -1.14 -4.49 118.95 116.19 1x50 s ARG 75 Ca 0.67 -1.70 -0.16 0.00 -0.52 0.00 0.00 55.73 54.03 1x50 s ARG 75 Cb -0.21 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 1x50 s ARG 75 CO 0.41 -1.08 0.76 -1.33 0.02 0.00 0.00 175.30 174.08 1x50 n MET 76 N 4.04 0.39 0.00 3.54 2.81 -1.26 -2.52 117.12 124.12 1x50 n MET 76 Ca 0.04 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1x50 n MET 76 Cb 0.38 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 1x50 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x50 n GLY 77 N 1.35 1.66 0.22 3.03 0.00 -1.26 -4.53 105.19 105.65 1x50 n GLY 77 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.66 0.00 1.61 -1.24 -1.99 -3.48 115.58 109.82 1x50 h ASN 78 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1x50 h ASN 78 Cb 0.00 0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1x50 h ASN 78 CO 0.00 -0.27 0.00 0.61 -1.29 0.00 0.00 177.43 176.48 1x50 n GLY 79 N -1.23 0.86 2.72 1.57 0.00 -1.05 -5.02 105.19 103.04 1x50 n GLY 79 Ca -0.04 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.27 0.20 -0.42 2.61 -4.23 -1.25 -4.75 115.64 107.53 1x50 s THR 80 Ca 0.00 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.50 1x50 s THR 80 Cb 0.00 -0.47 0.05 0.00 1.34 0.00 0.00 72.50 73.42 1x50 s THR 80 CO 0.00 0.14 0.30 -0.69 -0.54 0.00 0.00 174.62 173.82 1x50 s VAL 81 N 2.04 4.82 0.36 2.29 1.01 -1.26 -2.88 120.40 126.77 1x50 s VAL 81 Ca 0.04 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 1x50 s VAL 81 Cb -0.13 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1x50 s VAL 81 CO -0.05 -0.42 1.03 -0.69 0.00 0.00 0.00 175.10 174.97 1x50 s VAL 82 N 1.57 3.78 -0.11 2.92 1.01 -0.95 -4.33 120.40 124.29 1x50 s VAL 82 Ca 0.03 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.50 1x50 s VAL 82 Cb -0.22 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1x50 s VAL 82 CO 0.06 0.11 -0.14 -0.13 0.00 0.00 0.00 175.10 175.01 1x50 s ARG 83 N -2.17 2.06 0.36 2.72 3.00 0.40 -1.47 118.95 123.86 1x50 s ARG 83 Ca 0.53 -0.50 0.05 0.00 0.00 0.00 0.00 55.73 55.82 1x50 s ARG 83 Cb -0.23 -1.81 -0.03 0.00 0.00 0.00 0.00 34.95 32.88 1x50 s ARG 83 CO 0.29 -0.10 0.21 -0.80 0.00 0.00 0.00 175.30 174.91 1x50 s ASN 84 N 1.10 2.11 -0.30 0.23 -0.87 0.20 -0.99 114.94 116.44 1x50 s ASN 84 Ca -0.05 -1.72 0.02 0.00 -1.57 0.00 0.00 52.86 49.55 1x50 s ASN 84 Cb -0.14 0.54 0.19 0.00 -0.02 0.00 0.00 41.25 41.82 1x50 s ASN 84 CO -0.03 -1.01 0.61 -0.55 -2.57 0.00 0.00 177.10 173.55 1x50 s SER 85 N -3.47 -1.48 -0.24 -1.22 0.15 -1.26 0.24 113.70 106.42 1x50 s SER 85 Ca 0.33 0.53 -0.29 0.00 0.70 0.00 0.00 55.95 57.22 1x50 s SER 85 Cb 0.02 2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 66.42 1x50 s SER 85 CO 0.21 -0.27 1.21 -0.22 1.20 0.00 0.00 173.24 175.37 1x50 s LEU 86 N 2.85 4.04 0.35 3.45 2.96 -0.86 -0.88 118.68 130.59 1x50 s LEU 86 Ca 0.15 1.40 0.02 0.00 -0.22 0.00 0.00 54.13 55.48 1x50 s LEU 86 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -0.86 0.54 -0.76 -1.32 0.00 0.00 176.35 173.72 1x50 s LEU 87 N 3.73 3.97 -0.85 -0.68 1.43 0.68 0.70 118.68 127.66 1x50 s LEU 87 Ca 0.52 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1x50 s LEU 87 Cb -0.18 -3.15 -0.20 0.00 0.03 0.00 0.00 46.19 42.70 1x50 s LEU 87 CO 0.16 -0.37 2.40 -0.46 0.23 0.00 0.00 176.35 178.31 1x50 n ASN 88 N -1.78 0.33 0.00 2.29 2.04 -1.26 0.23 115.26 117.11 1x50 n ASN 88 Ca -0.04 0.23 0.00 0.00 -0.44 0.00 0.00 54.58 54.33 1x50 n ASN 88 Cb 0.57 -0.84 0.00 0.00 -2.53 0.00 0.00 39.78 36.98 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x50 n GLY 89 N 6.09 0.55 3.66 4.83 0.00 -1.26 -4.90 105.19 114.16 1x50 n GLY 89 Ca 0.59 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 1x50 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x50 s SER 90 N -2.40 4.03 0.19 1.61 0.15 0.63 -5.16 113.70 112.76 1x50 s SER 90 Ca 0.00 -1.31 0.06 0.00 0.70 0.00 0.00 55.95 55.39 1x50 s SER 90 Cb 0.00 -0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1x50 s SER 90 CO 0.00 -0.50 -0.11 0.26 1.20 0.00 0.00 173.24 174.09 1x50 s TRP 91 N -2.69 1.55 0.00 3.44 0.52 -1.26 0.25 118.94 120.74 1x50 s TRP 91 Ca 0.35 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.78 1x50 s TRP 91 Cb 0.08 -0.78 0.00 0.00 -1.15 0.00 0.00 33.47 31.62 1x50 s TRP 91 CO 0.18 0.21 0.00 0.41 0.02 0.00 0.00 176.95 177.77 1x50 n GLY 92 N -0.34 0.80 3.83 0.98 0.00 -0.06 -4.73 105.19 105.67 1x50 n GLY 92 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1x50 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 93 N -1.00 -0.06 -0.25 1.61 0.01 -1.26 -4.97 113.70 107.78 1x50 s SER 93 Ca 0.00 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.36 1x50 s SER 93 Cb 0.00 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 1x50 s SER 93 CO 0.00 -1.26 0.23 -1.61 0.41 0.00 0.00 173.24 171.01 1x50 s GLU 94 N -2.65 4.05 -0.18 12.44 2.02 -1.26 -3.90 118.70 129.23 1x50 s GLU 94 Ca 0.16 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 54.99 1x50 s GLU 94 Cb -0.04 -3.59 0.03 0.00 0.10 0.00 0.00 34.13 30.64 1x50 s GLU 94 CO 0.07 -0.06 -0.15 -1.21 0.02 0.00 0.00 175.26 173.93 1x50 s GLU 95 N 1.41 2.48 -0.15 1.61 0.41 -0.16 -4.89 118.70 119.41 1x50 s GLU 95 Ca 0.10 -0.77 0.02 0.00 -0.41 0.00 0.00 54.97 53.90 1x50 s GLU 95 Cb -0.15 -2.39 0.01 0.00 -1.78 0.00 0.00 34.13 29.83 1x50 s GLU 95 CO 0.07 -0.29 -0.20 0.15 -0.49 0.00 0.00 175.26 174.50 1x50 s LYS 96 N 1.37 2.82 -0.30 1.61 1.02 -1.26 -0.45 119.74 124.55 1x50 s LYS 96 Ca 0.03 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 1x50 s LYS 96 Cb -0.14 -2.36 0.18 0.00 -0.52 0.00 0.00 37.83 34.99 1x50 s LYS 96 CO -0.11 -0.10 1.00 0.21 -0.92 0.00 0.00 175.35 175.44 1x50 s LYS 97 N 1.05 0.20 0.01 1.68 2.47 -1.26 -5.06 119.74 118.83 1x50 s LYS 97 Ca -0.02 0.28 -0.12 0.00 -1.56 0.00 0.00 55.97 54.56 1x50 s LYS 97 Cb -0.14 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.39 1x50 s LYS 97 CO -0.06 -0.30 0.24 -1.50 0.16 0.00 0.00 175.35 173.89 1x50 s ILE 98 N 2.94 0.08 -0.18 5.43 2.07 -1.26 -4.70 121.20 125.58 1x50 s ILE 98 Ca 0.13 -0.63 -0.23 0.00 -1.41 0.00 0.00 60.65 58.50 1x50 s ILE 98 Cb -0.07 -0.65 -0.20 0.00 0.13 0.00 0.00 42.46 41.67 1x50 s ILE 98 CO -0.17 -0.35 0.38 0.00 -1.91 0.00 0.00 174.94 172.88 1x50 h THR 99 N 3.85 1.15 -3.50 4.00 1.03 -1.88 -3.48 112.91 114.08 1x50 h THR 99 Ca -0.31 -2.17 -0.24 0.00 -0.01 0.00 0.00 66.41 63.69 1x50 h THR 99 Cb 1.19 2.48 -0.30 0.00 -1.07 0.00 0.00 68.15 70.45 1x50 h THR 99 CO 0.42 0.39 -0.65 -1.38 -0.01 0.00 0.00 175.52 174.29 1x50 s HIS 100 N -2.30 -0.07 -0.60 0.00 -3.43 -1.26 -5.11 115.29 102.52 1x50 s HIS 100 Ca -0.25 0.23 -0.11 0.00 -0.80 0.00 0.00 55.06 54.14 1x50 s HIS 100 Cb 0.03 -0.06 0.15 0.00 -1.43 0.00 0.00 32.58 31.27 1x50 s HIS 100 CO 0.60 -0.07 0.50 1.21 -2.00 0.00 0.00 174.74 174.97 1x50 s ASN 101 N 0.51 5.99 0.30 7.38 3.84 -1.26 -4.91 114.94 126.78 1x50 s ASN 101 Ca -0.04 -2.24 0.09 0.00 0.21 0.00 0.00 52.86 50.88 1x50 s ASN 101 Cb -0.06 -2.07 0.48 0.00 -0.55 0.00 0.00 41.25 39.05 1x50 s ASN 101 CO -0.02 -0.64 1.70 1.55 -2.79 0.00 0.00 177.10 176.89 1x50 h PRO 102 N 8.14 0.11 -6.05 0.43 0.13 -1.99 -3.44 132.00 129.33 1x50 h PRO 102 Ca -0.12 -0.06 -0.73 0.00 -0.87 0.00 0.00 66.00 64.23 1x50 h PRO 102 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1x50 h PRO 102 CO 0.84 0.57 1.19 1.19 -0.23 0.00 0.00 178.00 181.56 1x50 n PHE 103 N -3.97 1.67 -3.84 1.56 3.72 -1.26 -4.93 117.46 110.41 1x50 n PHE 103 Ca -0.02 0.51 -0.13 0.00 -0.05 0.00 0.00 57.45 57.77 1x50 n PHE 103 Cb 0.51 -2.44 -0.14 0.00 -0.94 0.00 0.00 39.48 36.46 1x50 n PHE 103 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x50 s GLY 104 N 5.55 0.00 -0.54 1.37 0.00 -1.26 -4.59 107.32 107.84 1x50 s GLY 104 Ca 1.08 0.12 -0.27 0.00 0.00 0.00 0.00 44.72 45.65 1x50 s GLY 104 CO 0.60 0.18 1.82 2.56 0.00 0.00 0.00 173.10 178.26 1x50 s PRO 105 N 0.22 2.83 0.00 2.90 0.04 -1.26 -2.29 135.00 137.44 1x50 s PRO 105 Ca -0.02 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1x50 s PRO 105 Cb -0.03 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1x50 s PRO 105 CO -0.01 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1x50 n GLY 106 N 5.60 1.13 3.14 0.56 0.00 0.52 -4.60 105.19 111.56 1x50 n GLY 106 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 0.87 1.13 1.61 -2.07 -0.97 -4.98 119.66 115.25 1x50 s GLN 107 Ca 0.00 -0.80 -0.15 0.00 -1.82 0.00 0.00 55.36 52.59 1x50 s GLN 107 Cb 0.00 -0.86 0.26 0.00 -1.09 0.00 0.00 33.01 31.31 1x50 s GLN 107 CO 0.00 0.21 1.06 -0.06 -1.32 0.00 0.00 175.29 175.18 1x50 s PHE 108 N -0.99 1.35 -0.28 9.60 0.40 -1.26 -3.34 117.98 123.46 1x50 s PHE 108 Ca -0.00 0.90 -0.15 0.00 -0.60 0.00 0.00 56.93 57.08 1x50 s PHE 108 Cb -0.08 -3.21 0.09 0.00 0.51 0.00 0.00 43.02 40.32 1x50 s PHE 108 CO 0.01 -3.60 0.70 -0.59 0.70 0.00 0.00 175.22 172.45 1x50 s PHE 109 N -2.76 -1.08 -0.44 0.36 -0.12 -1.19 -4.80 117.98 107.95 1x50 s PHE 109 Ca 0.68 2.10 -0.12 0.00 -0.05 0.00 0.00 56.93 59.54 1x50 s PHE 109 Cb -0.19 0.65 0.07 0.00 -0.63 0.00 0.00 43.02 42.92 1x50 s PHE 109 CO 0.60 -0.53 0.32 0.34 -0.05 0.00 0.00 175.22 175.89 1x50 s ASP 110 N 1.82 5.88 -0.10 1.98 2.15 -1.26 -3.37 116.67 123.77 1x50 s ASP 110 Ca -0.09 -1.39 -0.02 0.00 0.43 0.00 0.00 52.55 51.48 1x50 s ASP 110 Cb -0.06 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.45 1x50 s ASP 110 CO -0.20 -0.58 -0.01 -0.22 -0.17 0.00 0.00 175.17 174.00 1x50 s LEU 111 N 1.53 3.51 -0.17 -1.34 1.98 -0.78 -1.58 118.68 121.82 1x50 s LEU 111 Ca 0.03 0.09 -0.04 0.00 -2.89 0.00 0.00 54.13 51.32 1x50 s LEU 111 Cb -0.23 -1.81 0.08 0.00 0.66 0.00 0.00 46.19 44.89 1x50 s LEU 111 CO 0.05 0.34 0.22 -0.44 -1.89 0.00 0.00 176.35 174.62 1x50 s SER 112 N -0.63 1.15 -0.08 3.68 0.01 -0.47 0.18 113.70 117.54 1x50 s SER 112 Ca 0.10 -0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.19 1x50 s SER 112 Cb -0.12 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1x50 s SER 112 CO 0.02 -0.30 0.37 -0.63 0.41 0.00 0.00 173.24 173.11 1x50 s ILE 113 N 2.33 5.18 -0.21 1.44 1.09 0.16 -0.25 121.20 130.95 1x50 s ILE 113 Ca 0.05 0.73 -0.05 0.00 -1.10 0.00 0.00 60.65 60.29 1x50 s ILE 113 Cb -0.15 -3.69 -0.02 0.00 -1.06 0.00 0.00 42.46 37.54 1x50 s ILE 113 CO -0.11 0.46 -0.00 -0.13 -0.10 0.00 0.00 174.94 175.06 1x50 s ARG 114 N -0.20 3.56 -0.21 2.79 0.52 0.44 0.38 118.95 126.23 1x50 s ARG 114 Ca 0.21 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 1x50 s ARG 114 Cb -0.15 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 1x50 s ARG 114 CO 0.09 -0.05 0.57 0.00 0.02 0.00 0.00 175.30 175.93 1x50 n GLY 116 N 3.91 5.93 0.06 0.00 0.00 -1.23 -4.23 105.19 109.63 1x50 n GLY 116 Ca -0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 2.38 0.05 0.99 4.77 -1.26 -4.43 117.00 119.50 1x50 n LEU 117 Ca 0.00 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.73 1x50 n LEU 117 Cb 0.00 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 1x50 n LEU 117 CO 0.00 0.63 -0.51 0.44 -1.33 0.00 0.00 177.39 176.62 1x50 h ASP 118 N 0.00 0.46 -5.53 -1.43 3.32 -1.99 -3.49 116.42 107.77 1x50 h ASP 118 Ca -0.29 -0.73 0.30 0.00 0.02 0.00 0.00 57.03 56.33 1x50 h ASP 118 Cb 1.50 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.77 1x50 h ASP 118 CO -0.03 1.62 0.80 0.00 -1.72 0.00 0.00 179.24 179.91 1x50 s ARG 119 N -2.59 0.45 0.27 3.56 1.70 -1.26 -4.33 118.95 116.75 1x50 s ARG 119 Ca -0.14 -0.24 -0.06 0.00 -0.47 0.00 0.00 55.73 54.82 1x50 s ARG 119 Cb 0.06 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 1x50 s ARG 119 CO 0.84 -0.21 0.55 -0.06 -1.08 0.00 0.00 175.30 175.35 1x50 s PHE 120 N -2.50 3.46 -0.26 5.89 0.40 -1.02 -3.54 117.98 120.41 1x50 s PHE 120 Ca 0.13 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 1x50 s PHE 120 Cb 0.04 -2.15 0.07 0.00 0.51 0.00 0.00 43.02 41.49 1x50 s PHE 120 CO -0.04 0.20 0.00 0.15 0.70 0.00 0.00 175.22 176.24 1x50 s LYS 121 N -3.34 1.29 0.02 0.44 1.02 -0.25 -2.52 119.74 116.40 1x50 s LYS 121 Ca 0.45 -1.07 -0.18 0.00 0.02 0.00 0.00 55.97 55.19 1x50 s LYS 121 Cb -0.11 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 1x50 s LYS 121 CO 0.28 -0.74 0.53 0.08 -0.92 0.00 0.00 175.35 174.58 1x50 s VAL 122 N 1.43 4.90 0.08 3.17 1.01 -0.71 -0.42 120.40 129.86 1x50 s VAL 122 Ca 0.00 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.19 1x50 s VAL 122 Cb -0.18 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1x50 s VAL 122 CO -0.11 0.50 -0.25 -0.31 0.00 0.00 0.00 175.10 174.93 1x50 s TYR 123 N -0.69 2.17 -0.23 5.22 1.51 0.66 -0.26 117.35 125.73 1x50 s TYR 123 Ca 0.28 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1x50 s TYR 123 Cb -0.18 -1.24 0.08 0.00 -0.11 0.00 0.00 41.96 40.51 1x50 s TYR 123 CO 0.16 0.21 0.09 0.00 -1.11 0.00 0.00 175.55 174.90 1x50 s ALA 124 N -0.95 0.77 -1.45 3.71 0.00 0.66 -1.36 121.76 123.14 1x50 s ALA 124 Ca 0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 1x50 s ALA 124 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1x50 s ALA 124 CO 0.04 -1.39 0.44 0.09 0.00 0.00 0.00 175.76 174.93 1x50 n ASN 125 N 5.16 -5.65 -0.51 0.00 3.02 -0.62 -2.62 115.26 114.05 1x50 n ASN 125 Ca -0.06 -0.21 -0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1x50 n ASN 125 Cb 0.45 -4.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 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 -1.36 0.87 3.14 7.41 0.00 -1.26 -5.07 105.19 108.92 1x50 n GLY 126 Ca -0.13 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.92 0.29 -0.48 1.61 -1.52 -1.08 -5.10 119.66 108.47 1x50 s GLN 127 Ca 0.01 0.58 -0.26 0.00 -1.95 0.00 0.00 55.36 53.73 1x50 s GLN 127 Cb -0.00 -0.03 -0.06 0.00 -0.22 0.00 0.00 33.01 32.70 1x50 s GLN 127 CO 0.01 -0.13 2.31 -1.58 -0.25 0.00 0.00 175.29 175.65 1x50 s HIS 128 N 1.05 1.17 0.00 0.91 5.65 -1.26 -0.25 115.29 122.57 1x50 s HIS 128 Ca -0.07 1.37 -0.00 0.00 0.25 0.00 0.00 55.06 56.60 1x50 s HIS 128 Cb -0.08 -3.69 -0.00 0.00 -1.18 0.00 0.00 32.58 27.63 1x50 s HIS 128 CO -0.08 -2.64 0.69 1.25 -0.65 0.00 0.00 174.74 173.31 1x50 h LEU 129 N 18.73 -0.01 -7.95 8.88 5.85 -0.95 -3.45 115.31 136.41 1x50 h LEU 129 Ca -0.26 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1x50 h LEU 129 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1x50 h LEU 129 CO 1.15 -0.01 0.32 0.72 -0.34 0.00 0.00 178.44 180.29 1x50 s PHE 130 N -2.40 -0.02 0.12 1.25 -0.12 -1.23 -3.88 117.98 111.70 1x50 s PHE 130 Ca -0.00 -0.50 0.08 0.00 -0.05 0.00 0.00 56.93 56.46 1x50 s PHE 130 Cb 0.00 0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 43.10 1x50 s PHE 130 CO 0.01 -1.28 -0.14 0.16 -0.05 0.00 0.00 175.22 173.91 1x50 s ASP 131 N -3.04 4.10 -0.32 1.98 1.47 -1.26 -1.73 116.67 117.86 1x50 s ASP 131 Ca 0.14 -0.51 0.01 0.00 1.18 0.00 0.00 52.55 53.37 1x50 s ASP 131 Cb -0.05 -0.66 0.08 0.00 -0.34 0.00 0.00 42.92 41.95 1x50 s ASP 131 CO 0.08 0.17 0.03 0.12 0.68 0.00 0.00 175.17 176.24 1x50 s PHE 132 N -1.26 3.50 0.29 2.11 5.36 -1.05 -4.94 117.98 121.99 1x50 s PHE 132 Ca 0.20 -2.48 -0.30 0.00 -0.96 0.00 0.00 56.93 53.39 1x50 s PHE 132 Cb -0.10 -2.56 -0.12 0.00 -0.34 0.00 0.00 43.02 39.90 1x50 s PHE 132 CO 0.12 -0.91 1.62 0.00 -1.46 0.00 0.00 175.22 174.59 1x50 n ALA 133 N 4.44 2.65 -1.72 11.12 0.00 -1.26 -2.43 120.51 133.31 1x50 n ALA 133 Ca -0.05 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 1x50 n ALA 133 Cb 0.42 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 1x50 n ALA 133 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1x50 s HIS 134 N 0.10 1.36 -0.23 0.00 0.09 -1.26 -4.85 115.29 110.49 1x50 s HIS 134 Ca 0.65 0.32 -0.16 0.00 -0.00 0.00 0.00 55.06 55.86 1x50 s HIS 134 Cb -0.49 -4.03 -0.12 0.00 -0.00 0.00 0.00 32.58 27.94 1x50 s HIS 134 CO 0.47 -4.19 -0.19 0.54 -0.00 0.00 0.00 174.74 171.37 1x50 n ARG 135 N 8.33 0.56 -3.16 1.40 1.74 -1.26 -4.85 116.66 119.42 1x50 n ARG 135 Ca 0.26 0.36 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 1x50 n ARG 135 Cb 0.44 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 1x50 n ARG 135 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1x50 s LEU 136 N -7.74 4.74 0.49 0.55 2.96 -1.26 -4.92 118.68 113.49 1x50 s LEU 136 Ca -0.32 -0.62 0.26 0.00 -0.22 0.00 0.00 54.13 53.23 1x50 s LEU 136 Cb 0.10 -2.56 1.33 0.00 0.50 0.00 0.00 46.19 45.56 1x50 s LEU 136 CO 0.48 -0.79 1.85 0.77 -1.32 0.00 0.00 176.35 177.34 1x50 h SER 137 N 8.90 0.17 -0.14 3.68 4.64 -2.00 0.61 113.55 129.41 1x50 h SER 137 Ca -0.26 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1x50 h SER 137 Cb 1.10 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1x50 h SER 137 CO 0.90 0.06 0.04 0.00 -0.87 0.00 0.00 176.83 176.96 1x50 n ALA 138 N -2.63 2.88 -0.34 5.18 0.00 -1.26 -4.37 120.51 119.97 1x50 n ALA 138 Ca 0.20 -0.43 0.22 0.00 0.00 0.00 0.00 53.44 53.43 1x50 n ALA 138 Cb 0.91 -1.05 0.46 0.00 0.00 0.00 0.00 19.45 19.77 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 0.56 0.89 -0.79 0.00 -0.00 -0.16 0.56 116.94 117.99 1x50 h PHE 139 Ca 0.04 0.03 0.17 0.00 -0.00 0.00 0.00 57.97 58.22 1x50 h PHE 139 Cb 0.99 -0.25 -0.05 0.00 -0.00 0.00 0.00 35.95 36.64 1x50 h PHE 139 CO 0.24 -0.03 0.53 -0.56 -0.00 0.00 0.00 178.31 178.50 1x50 h GLN 140 N 0.43 0.36 -0.61 6.09 3.07 -1.76 0.64 115.11 123.34 1x50 h GLN 140 Ca 0.67 -0.02 -0.05 0.00 0.09 0.00 0.00 58.65 59.34 1x50 h GLN 140 Cb 1.51 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 28.96 1x50 h GLN 140 CO -0.47 0.24 0.19 0.00 0.09 0.00 0.00 178.83 178.87 1x50 h ARG 141 N 0.37 0.92 -5.94 0.06 3.08 -0.15 -2.39 114.38 110.33 1x50 h ARG 141 Ca 0.40 -0.18 -0.69 0.00 0.07 0.00 0.00 59.98 59.58 1x50 h ARG 141 Cb 0.99 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1x50 h ARG 141 CO -0.12 0.79 1.40 0.28 -1.07 0.00 0.00 179.97 181.25 1x50 n VAL 142 N -4.28 0.11 -2.21 2.04 0.31 0.22 -4.45 118.33 110.06 1x50 n VAL 142 Ca 0.05 -0.17 0.03 0.00 -0.01 0.00 0.00 64.34 64.24 1x50 n VAL 142 Cb 0.21 -1.22 0.09 0.00 -0.91 0.00 0.00 33.84 32.00 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 9.19 1.49 -3.59 4.52 5.75 -1.17 -1.87 116.55 130.88 1x50 n ASP 143 Ca 0.47 -2.73 -0.23 0.00 -0.01 0.00 0.00 54.79 52.29 1x50 n ASP 143 Cb 0.13 -0.39 -0.16 0.00 -1.03 0.00 0.00 41.12 39.67 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x50 s THR 144 N -1.65 -0.16 -0.33 2.12 2.01 -0.06 -1.33 115.64 116.24 1x50 s THR 144 Ca 0.36 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 1x50 s THR 144 Cb 0.38 -0.52 0.04 0.00 0.01 0.00 0.00 72.50 72.41 1x50 s THR 144 CO -0.11 -0.18 0.09 -0.22 -0.69 0.00 0.00 174.62 173.51 1x50 s LEU 145 N 2.20 4.26 0.17 4.42 2.96 -0.47 -0.41 118.68 131.81 1x50 s LEU 145 Ca 0.04 -1.18 0.08 0.00 -0.22 0.00 0.00 54.13 52.85 1x50 s LEU 145 Cb -0.15 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1x50 s LEU 145 CO -0.09 -0.32 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.73 1x50 s GLU 146 N 1.37 2.20 -0.17 1.98 -1.05 -0.73 -0.10 118.70 122.21 1x50 s GLU 146 Ca -0.02 -1.17 -0.05 0.00 -0.15 0.00 0.00 54.97 53.58 1x50 s GLU 146 Cb -0.20 -2.26 0.06 0.00 -0.44 0.00 0.00 34.13 31.30 1x50 s GLU 146 CO 0.02 0.45 0.11 0.42 0.95 0.00 0.00 175.26 177.21 1x50 s ILE 147 N -1.64 -0.12 0.46 1.83 1.01 -0.76 -2.12 121.20 119.86 1x50 s ILE 147 Ca 0.25 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1x50 s ILE 147 Cb -0.09 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1x50 s ILE 147 CO 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 174.94 174.88 1x50 s GLN 148 N 2.17 2.09 0.00 2.79 0.00 -0.66 -1.91 119.66 124.14 1x50 s GLN 148 Ca 0.03 -2.25 0.00 0.00 -0.00 0.00 0.00 55.36 53.14 1x50 s GLN 148 Cb -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 33.01 31.25 1x50 s GLN 148 CO -0.09 -0.22 0.00 0.41 0.00 0.00 0.00 175.29 175.39 1x50 n GLY 149 N -1.14 0.50 3.04 2.60 0.00 -1.26 -0.61 105.19 108.31 1x50 n GLY 149 Ca -0.12 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 4.85 -0.00 1.61 1.01 -0.84 -4.92 116.67 114.38 1x50 s ASP 150 Ca 0.00 -2.62 -0.17 0.00 0.71 0.00 0.00 52.55 50.48 1x50 s ASP 150 Cb 0.00 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.22 1x50 s ASP 150 CO 0.00 -0.36 0.36 0.54 0.21 0.00 0.00 175.17 175.92 1x50 s VAL 151 N 0.27 0.05 -0.56 -1.27 0.11 -1.26 -3.85 120.40 113.90 1x50 s VAL 151 Ca 0.14 -0.45 -0.05 0.00 -2.93 0.00 0.00 61.98 58.69 1x50 s VAL 151 Cb -0.22 -0.73 0.14 0.00 -1.53 0.00 0.00 36.38 34.04 1x50 s VAL 151 CO -0.03 -0.25 0.38 -0.89 -3.33 0.00 0.00 175.10 170.98 1x50 s THR 152 N -1.60 3.80 0.21 5.04 2.01 -0.38 -4.95 115.64 119.76 1x50 s THR 152 Ca -0.11 -2.51 -0.30 0.00 0.31 0.00 0.00 61.69 59.08 1x50 s THR 152 Cb -0.04 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 1x50 s THR 152 CO 0.03 -0.82 1.02 -0.76 -0.69 0.00 0.00 174.62 173.40 1x50 s LEU 153 N 0.49 4.56 0.00 4.42 1.43 -1.26 0.86 118.68 129.19 1x50 s LEU 153 Ca 0.13 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1x50 s LEU 153 Cb -0.21 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1x50 s LEU 153 CO -0.04 -0.04 0.00 -0.24 0.23 0.00 0.00 176.35 176.26 1x50 n SER 154 N 1.92 3.79 -3.71 2.29 2.88 0.06 -3.95 113.62 116.90 1x50 n SER 154 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1x50 n SER 154 Cb 0.47 0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 1x50 n SER 154 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1x50 s TYR 155 N -1.89 -0.50 -0.23 0.66 6.14 -0.48 -0.34 117.35 120.71 1x50 s TYR 155 Ca 0.00 1.10 -0.04 0.00 0.64 0.00 0.00 57.07 58.77 1x50 s TYR 155 Cb 0.00 0.19 0.08 0.00 0.42 0.00 0.00 41.96 42.65 1x50 s TYR 155 CO 0.00 -0.30 0.12 0.08 0.64 0.00 0.00 175.55 176.10 1x50 s VAL 156 N 1.28 -0.11 0.03 3.14 1.01 -1.23 -1.27 120.40 123.26 1x50 s VAL 156 Ca -0.09 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1x50 s VAL 156 Cb -0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1x50 s VAL 156 CO -0.11 -0.48 -0.09 -1.58 0.00 0.00 0.00 175.10 172.84 1x50 s GLN 157 N 2.14 2.41 -0.67 2.72 0.74 -1.22 -3.10 119.66 122.67 1x50 s GLN 157 Ca 0.06 -0.81 -0.06 0.00 0.05 0.00 0.00 55.36 54.60 1x50 s GLN 157 Cb -0.16 -2.42 0.17 0.00 1.10 0.00 0.00 33.01 31.71 1x50 s GLN 157 CO -0.23 0.58 0.52 0.42 -0.55 0.00 0.00 175.29 176.03 1x50 s ILE 158 N -1.02 4.17 0.29 -2.34 1.01 -1.26 -3.41 121.20 118.65 1x50 s ILE 158 Ca 0.17 -2.83 -0.28 0.00 0.00 0.00 0.00 60.65 57.71 1x50 s ILE 158 Cb -0.11 -3.68 -0.14 0.00 0.01 0.00 0.00 42.46 38.54 1x50 s ILE 158 CO 0.08 -0.91 1.03 -0.24 0.00 0.00 0.00 174.94 174.90 1x50 n SER 159 N 3.61 1.40 -4.76 3.58 2.88 -1.05 -4.97 113.62 114.30 1x50 n SER 159 Ca 0.09 1.18 -0.29 0.00 -1.33 0.00 0.00 58.87 58.52 1x50 n SER 159 Cb 0.40 -1.30 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 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 -0.54 2.64 -0.79 0.46 0.00 -1.26 -3.94 107.32 103.87 1x50 s GLY 160 Ca 0.58 -1.30 -0.25 0.00 0.00 0.00 0.00 44.72 43.75 1x50 s GLY 160 CO 0.60 -2.06 1.91 2.56 0.00 0.00 0.00 173.10 176.12 1x50 s PRO 161 N -3.94 2.58 -0.10 2.90 0.04 -1.25 -4.88 135.00 130.35 1x50 s PRO 161 Ca 0.25 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.03 1x50 s PRO 161 Cb 0.03 -4.81 0.10 0.00 0.04 0.00 0.00 34.50 29.85 1x50 s PRO 161 CO 0.14 -3.14 0.83 0.45 0.04 0.00 0.00 177.00 175.33 1x50 s SER 162 N 8.06 -0.51 0.11 6.66 0.15 -1.26 -5.17 113.70 121.73 1x50 s SER 162 Ca 0.69 0.54 -0.03 0.00 0.70 0.00 0.00 55.95 57.85 1x50 s SER 162 Cb -0.09 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 1x50 s SER 162 CO 0.07 -0.49 0.32 -0.94 1.20 0.00 0.00 173.24 173.40 1x50 s SER 163 N -1.20 6.45 0.00 5.45 1.04 -1.26 -5.19 113.70 119.00 1x50 s SER 163 Ca -0.06 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1x50 s SER 163 Cb -0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1x50 s SER 163 CO 0.05 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.99