#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 -0.30 -0.19 1.61 1.04 -1.26 -5.15 113.70 109.45 1x50 s SER 2 Ca 0.00 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 1x50 s SER 2 Cb 0.00 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1x50 s SER 2 CO 0.00 -0.73 -0.03 -0.55 0.98 0.00 0.00 173.24 172.92 1x50 s SER 3 N -2.21 4.66 0.32 7.02 0.15 -1.26 -5.09 113.70 117.29 1x50 s SER 3 Ca -0.03 -0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.23 1x50 s SER 3 Cb -0.00 -1.78 0.03 0.00 -1.71 0.00 0.00 66.02 62.56 1x50 s SER 3 CO -0.05 0.09 0.69 -0.83 1.20 0.00 0.00 173.24 174.34 1x50 s GLY 4 N 0.86 0.30 0.05 9.45 0.00 -1.26 -5.18 107.32 111.53 1x50 s GLY 4 Ca -0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 1x50 s GLY 4 CO 0.02 -0.32 0.55 -0.45 0.00 0.00 0.00 173.10 172.89 1x50 s SER 5 N -3.01 -0.48 0.03 1.64 0.15 -1.26 -5.18 113.70 105.59 1x50 s SER 5 Ca 0.16 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1x50 s SER 5 Cb -0.04 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1x50 s SER 5 CO 0.10 -0.75 -0.05 -0.55 1.20 0.00 0.00 173.24 173.19 1x50 s SER 6 N -2.02 0.52 0.00 5.45 0.15 -1.26 -5.16 113.70 111.38 1x50 s SER 6 Ca -0.05 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1x50 s SER 6 Cb -0.01 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1x50 s SER 6 CO -0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x50 n GLY 7 N 1.76 1.12 3.49 9.45 0.00 -1.26 -5.08 105.19 114.66 1x50 n GLY 7 Ca -0.22 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 1.13 2.62 -0.06 1.61 0.09 -1.26 -5.13 115.29 114.29 1x50 s HIS 8 Ca 0.00 -0.22 -0.09 0.00 -0.00 0.00 0.00 55.06 54.76 1x50 s HIS 8 Cb 0.00 -1.49 0.02 0.00 -0.00 0.00 0.00 32.58 31.11 1x50 s HIS 8 CO 0.00 0.28 0.22 -0.65 -0.00 0.00 0.00 174.74 174.59 1x50 s GLN 9 N -1.47 0.38 0.78 1.40 -0.21 -1.26 -5.15 119.66 114.13 1x50 s GLN 9 Ca 0.15 0.07 -0.15 0.00 0.02 0.00 0.00 55.36 55.46 1x50 s GLN 9 Cb -0.11 0.17 0.01 0.00 1.00 0.00 0.00 33.01 34.09 1x50 s GLN 9 CO 0.06 -0.07 0.74 0.94 -2.12 0.00 0.00 175.29 174.83 1x50 n GLN 10 N 2.34 0.22 -0.11 2.91 -0.06 -1.26 -4.96 117.38 116.47 1x50 n GLN 10 Ca -0.16 0.13 -0.14 0.00 -2.00 0.00 0.00 57.00 54.82 1x50 n GLN 10 Cb 0.57 -2.04 -0.12 0.00 -4.06 0.00 0.00 30.24 24.59 1x50 n GLN 10 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1x50 n LEU 11 N -1.35 2.10 -0.18 1.69 -0.00 -1.26 -4.48 117.00 113.52 1x50 n LEU 11 Ca 0.11 -0.09 -0.04 0.00 -0.00 0.00 0.00 56.01 55.99 1x50 n LEU 11 Cb 0.50 -0.45 0.06 0.00 -0.00 0.00 0.00 43.42 43.54 1x50 n LEU 11 CO 0.50 0.77 1.03 -1.13 -0.00 0.00 0.00 177.39 178.55 1x50 h ASN 12 N 0.00 0.37 -2.53 1.45 -0.73 -2.09 -3.43 115.58 108.62 1x50 h ASN 12 Ca -0.52 0.03 0.08 0.00 1.87 0.00 0.00 56.30 57.76 1x50 h ASN 12 Cb 1.91 -0.04 -0.24 0.00 0.27 0.00 0.00 38.32 40.22 1x50 h ASN 12 CO -0.05 0.25 0.17 -0.94 -0.37 0.00 0.00 177.43 176.49 1x50 s SER 13 N -5.50 -0.76 0.64 1.15 1.04 -1.26 -5.16 113.70 103.85 1x50 s SER 13 Ca -0.13 1.18 -0.16 0.00 0.48 0.00 0.00 55.95 57.32 1x50 s SER 13 Cb 0.14 1.43 -0.01 0.00 0.10 0.00 0.00 66.02 67.69 1x50 s SER 13 CO 0.74 -0.18 1.13 -1.48 0.98 0.00 0.00 173.24 174.43 1x50 s LEU 14 N 1.72 3.48 0.00 2.42 0.05 -1.26 -4.68 118.68 120.41 1x50 s LEU 14 Ca -0.09 2.11 0.00 0.00 0.05 0.00 0.00 54.13 56.20 1x50 s LEU 14 Cb -0.05 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.52 1x50 s LEU 14 CO -0.18 -1.61 0.00 -0.81 -0.55 0.00 0.00 176.35 173.21 1x50 n PRO 15 N -2.14 0.01 -3.21 1.48 -0.04 -1.26 -5.03 135.00 124.81 1x50 n PRO 15 Ca 0.11 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.26 1x50 n PRO 15 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.49 4.84 -0.97 0.52 2.01 -1.26 -5.01 115.64 115.27 1x50 s THR 16 Ca 0.00 0.59 -0.21 0.00 0.31 0.00 0.00 61.69 62.38 1x50 s THR 16 Cb 0.00 -3.65 0.09 0.00 0.01 0.00 0.00 72.50 68.95 1x50 s THR 16 CO 0.00 -0.23 1.27 -0.04 -0.69 0.00 0.00 174.62 174.94 1x50 s MET 17 N -3.17 3.60 0.22 4.92 -1.94 -1.26 -4.98 119.30 116.70 1x50 s MET 17 Ca 0.50 -1.48 0.08 0.00 -1.71 0.00 0.00 55.69 53.08 1x50 s MET 17 Cb -0.11 -5.12 -0.05 0.00 2.01 0.00 0.00 34.83 31.57 1x50 s MET 17 CO 0.23 -1.97 -0.14 -1.83 -0.01 0.00 0.00 175.02 171.30 1x50 s GLU 18 N 3.70 1.39 1.12 2.03 4.04 -1.26 -4.94 118.70 124.79 1x50 s GLU 18 Ca 0.39 -1.63 0.00 0.00 0.04 0.00 0.00 54.97 53.77 1x50 s GLU 18 Cb -0.03 -1.20 0.00 0.00 0.02 0.00 0.00 34.13 32.93 1x50 s GLU 18 CO -0.10 0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.92 1x50 n GLY 19 N -0.43 0.89 3.68 -3.83 0.00 -1.26 -4.97 105.19 99.27 1x50 n GLY 19 Ca -0.07 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 0.55 0.67 1.61 0.04 -1.26 -5.05 135.00 131.56 1x50 s PRO 20 Ca 0.00 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 1x50 s PRO 20 Cb 0.00 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.96 1x50 s PRO 20 CO 0.00 -2.66 0.60 -0.35 0.04 0.00 0.00 177.00 174.63 1x50 n PRO 21 N -4.14 -2.19 -3.65 0.56 -0.04 -1.26 -5.05 135.00 119.23 1x50 n PRO 21 Ca 0.05 -0.96 -0.30 0.00 -0.04 0.00 0.00 63.50 62.25 1x50 n PRO 21 Cb 0.57 -0.90 -0.04 0.00 -0.04 0.00 0.00 33.50 33.09 1x50 n PRO 21 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 22 N -2.08 5.16 -0.15 0.52 2.01 -1.19 -5.03 115.64 114.87 1x50 s THR 22 Ca 0.39 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 1x50 s THR 22 Cb -0.04 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.86 1x50 s THR 22 CO 0.30 -0.04 0.38 -0.36 -0.69 0.00 0.00 174.62 174.21 1x50 s PHE 23 N -1.74 -0.46 -1.48 4.92 0.40 -1.26 -3.70 117.98 114.65 1x50 s PHE 23 Ca 0.41 1.08 -0.09 0.00 -0.60 0.00 0.00 56.93 57.73 1x50 s PHE 23 Cb -0.12 0.17 0.06 0.00 0.51 0.00 0.00 43.02 43.64 1x50 s PHE 23 CO 0.26 -0.24 0.77 0.09 0.70 0.00 0.00 175.22 176.80 1x50 n ASN 24 N 3.27 -2.78 -4.73 1.36 3.02 -0.99 -4.90 115.26 109.50 1x50 n ASN 24 Ca -0.16 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 1x50 n ASN 24 Cb 0.57 -3.58 -0.03 0.00 -0.61 0.00 0.00 39.78 36.13 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 -6.50 4.39 1.24 3.52 0.04 -1.26 -5.03 135.00 131.39 1x50 s PRO 25 Ca 0.39 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 1x50 s PRO 25 Cb -0.20 -3.21 0.30 0.00 0.04 0.00 0.00 34.50 31.44 1x50 s PRO 25 CO 0.85 -0.27 1.11 -1.25 0.04 0.00 0.00 177.00 177.49 1x50 s PRO 26 N 0.04 -1.52 -0.01 0.56 0.04 -1.26 -4.56 135.00 128.29 1x50 s PRO 26 Ca 0.57 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1x50 s PRO 26 Cb -0.36 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1x50 s PRO 26 CO 0.37 -3.89 -0.01 0.08 0.04 0.00 0.00 177.00 173.60 1x50 s VAL 27 N -3.02 0.11 0.41 -0.36 1.01 -1.26 -2.89 120.40 114.40 1x50 s VAL 27 Ca 0.72 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 1x50 s VAL 27 Cb -0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 36.38 36.09 1x50 s VAL 27 CO 0.56 0.05 1.19 -2.16 0.00 0.00 0.00 175.10 174.74 1x50 s PRO 28 N 0.21 4.00 -0.26 2.72 0.04 -1.26 -5.05 135.00 135.40 1x50 s PRO 28 Ca -0.02 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 1x50 s PRO 28 Cb -0.04 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1x50 s PRO 28 CO -0.01 -0.37 0.44 -0.47 0.04 0.00 0.00 177.00 176.63 1x50 s TYR 29 N -1.41 3.26 -0.46 0.56 6.14 -0.48 -4.88 117.35 120.07 1x50 s TYR 29 Ca 0.58 0.52 -0.11 0.00 0.64 0.00 0.00 57.07 58.70 1x50 s TYR 29 Cb -0.31 -2.64 0.10 0.00 0.42 0.00 0.00 41.96 39.53 1x50 s TYR 29 CO 0.39 -0.25 0.34 -0.06 0.64 0.00 0.00 175.55 176.62 1x50 s PHE 30 N 2.16 3.35 -0.34 4.97 0.08 -1.26 -1.40 117.98 125.53 1x50 s PHE 30 Ca 0.18 -1.58 -0.06 0.00 0.12 0.00 0.00 56.93 55.58 1x50 s PHE 30 Cb -0.16 -3.33 0.04 0.00 -0.57 0.00 0.00 43.02 39.01 1x50 s PHE 30 CO 0.09 -0.93 0.11 0.20 -0.10 0.00 0.00 175.22 174.60 1x50 s GLY 31 N 2.61 1.85 -0.42 4.36 0.00 0.10 -4.98 107.32 110.84 1x50 s GLY 31 Ca 0.04 -1.79 -0.28 0.00 0.00 0.00 0.00 44.72 42.69 1x50 s GLY 31 CO 0.01 0.79 1.52 0.50 0.00 0.00 0.00 173.10 175.92 1x50 s ARG 32 N 1.39 3.44 -0.83 2.90 1.81 -1.26 -0.23 118.95 126.17 1x50 s ARG 32 Ca -0.01 0.97 -0.25 0.00 -1.72 0.00 0.00 55.73 54.71 1x50 s ARG 32 Cb -0.20 -4.09 -0.03 0.00 -0.45 0.00 0.00 34.95 30.18 1x50 s ARG 32 CO 0.02 -1.73 1.88 -0.51 -0.68 0.00 0.00 175.30 174.29 1x50 s LEU 33 N 6.00 3.22 -0.41 2.53 1.43 0.20 -4.72 118.68 126.93 1x50 s LEU 33 Ca 0.64 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 1x50 s LEU 33 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1x50 s LEU 33 CO 0.31 -2.56 2.05 -1.10 0.23 0.00 0.00 176.35 175.29 1x50 s GLN 34 N 6.87 2.83 0.00 1.70 -1.52 -1.26 -2.58 119.66 125.70 1x50 s GLN 34 Ca 0.67 1.38 0.00 0.00 -1.95 0.00 0.00 55.36 55.46 1x50 s GLN 34 Cb -0.08 -4.37 0.00 0.00 -0.22 0.00 0.00 33.01 28.34 1x50 s GLN 34 CO 0.04 -2.45 0.00 0.41 -0.25 0.00 0.00 175.29 173.04 1x50 n GLY 35 N 5.70 3.80 0.00 3.09 0.00 -1.26 -4.93 105.19 111.59 1x50 n GLY 35 Ca 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.81 3.52 -0.02 0.00 -1.07 -4.89 105.19 104.54 1x50 n GLY 36 Ca 0.00 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.14 2.38 -4.42 0.99 4.77 -0.51 -4.93 117.00 115.13 1x50 n LEU 37 Ca 0.00 0.13 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 1x50 n LEU 37 Cb 0.00 -1.40 -0.13 0.00 -2.33 0.00 0.00 43.42 39.57 1x50 n LEU 37 CO 0.00 -0.90 -0.54 0.42 -1.33 0.00 0.00 177.39 175.03 1x50 s THR 38 N 8.82 2.44 0.62 -5.08 -4.23 -1.26 -3.99 115.64 112.96 1x50 s THR 38 Ca 1.06 -1.61 0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1x50 s THR 38 Cb -0.58 -2.08 0.33 0.00 1.34 0.00 0.00 72.50 71.51 1x50 s THR 38 CO 0.40 0.14 1.74 0.00 -0.54 0.00 0.00 174.62 176.36 1x50 h ALA 39 N 3.98 2.04 -0.70 3.99 0.00 -1.76 0.62 119.26 127.43 1x50 h ALA 39 Ca -0.50 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 53.97 1x50 h ALA 39 Cb 1.17 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 1x50 h ALA 39 CO 0.42 -0.78 0.14 2.89 0.00 0.00 0.00 179.25 181.92 1x50 n ARG 40 N -3.31 2.44 -4.86 0.00 0.00 -1.26 -4.56 116.66 105.11 1x50 n ARG 40 Ca 0.07 -3.37 -0.33 0.00 -0.00 0.00 0.00 57.85 54.22 1x50 n ARG 40 Cb 0.74 -2.08 -0.13 0.00 -0.00 0.00 0.00 32.46 30.99 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 -3.46 2.59 -0.06 2.89 3.52 0.22 -4.49 118.95 120.15 1x50 s ARG 41 Ca 0.53 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.43 1x50 s ARG 41 Cb 0.45 -2.41 0.03 0.00 -1.56 0.00 0.00 34.95 31.45 1x50 s ARG 41 CO 0.02 0.60 0.03 0.99 -0.81 0.00 0.00 175.30 176.13 1x50 s THR 42 N -0.66 0.16 -0.03 4.11 2.01 -1.22 -1.71 115.64 118.30 1x50 s THR 42 Ca 0.10 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 1x50 s THR 42 Cb -0.11 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1x50 s THR 42 CO 0.01 0.22 0.47 -0.63 -0.69 0.00 0.00 174.62 173.99 1x50 s ILE 43 N 2.06 5.03 -0.04 1.82 1.09 0.17 -2.34 121.20 128.99 1x50 s ILE 43 Ca 0.05 0.96 0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1x50 s ILE 43 Cb -0.12 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1x50 s ILE 43 CO -0.04 0.48 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.55 1x50 s ILE 44 N -0.45 0.88 -0.17 2.92 1.01 -1.19 0.20 121.20 124.40 1x50 s ILE 44 Ca 0.26 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1x50 s ILE 44 Cb -0.17 -0.80 0.06 0.00 0.01 0.00 0.00 42.46 41.56 1x50 s ILE 44 CO 0.13 0.28 0.05 -0.63 0.00 0.00 0.00 174.94 174.77 1x50 s ILE 45 N 0.39 0.30 -0.32 2.92 1.01 0.90 -3.51 121.20 122.88 1x50 s ILE 45 Ca -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1x50 s ILE 45 Cb -0.11 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.61 1x50 s ILE 45 CO 0.01 -0.16 0.06 -0.54 0.00 0.00 0.00 174.94 174.31 1x50 s LYS 46 N 1.97 2.46 0.00 2.79 1.02 -0.17 -1.60 119.74 126.20 1x50 s LYS 46 Ca 0.01 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.71 1x50 s LYS 46 Cb -0.16 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1x50 s LYS 46 CO -0.08 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.08 1x50 n GLY 47 N 4.69 5.59 3.32 -3.33 0.00 -1.20 -1.01 105.19 113.25 1x50 n GLY 47 Ca -0.12 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 1.87 -0.70 -0.20 1.61 6.14 0.17 -3.52 117.35 122.71 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 0.36 -0.03 0.00 0.42 0.00 0.00 41.96 42.72 1x50 s TYR 48 CO 0.00 -0.36 1.57 0.08 0.64 0.00 0.00 175.55 177.49 1x50 s VAL 49 N 2.59 3.75 0.72 3.14 1.01 -1.23 -2.08 120.40 128.30 1x50 s VAL 49 Ca -0.00 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 1x50 s VAL 49 Cb -0.08 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1x50 s VAL 49 CO -0.16 -0.27 1.10 -2.16 0.00 0.00 0.00 175.10 173.61 1x50 s PRO 50 N 4.49 2.52 0.30 2.72 0.04 -1.26 -0.82 135.00 142.99 1x50 s PRO 50 Ca 0.69 1.28 0.25 0.00 0.04 0.00 0.00 61.00 63.26 1x50 s PRO 50 Cb -0.25 -1.92 1.05 0.00 0.04 0.00 0.00 34.50 33.42 1x50 s PRO 50 CO 0.28 -1.45 1.75 -1.00 0.04 0.00 0.00 177.00 176.62 1x50 h PRO 51 N -0.56 0.00 -0.32 0.56 0.13 -1.93 -2.52 132.00 127.36 1x50 h PRO 51 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.53 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 1x50 n THR 52 N -2.36 1.96 -3.86 1.56 -2.24 -1.26 -4.92 114.28 103.15 1x50 n THR 52 Ca 0.02 -1.59 -0.36 0.00 -2.27 0.00 0.00 64.05 59.85 1x50 n THR 52 Cb 0.24 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.57 1.66 0.05 3.38 0.00 -0.95 -5.01 107.32 104.88 1x50 s GLY 53 Ca 0.39 -1.22 -0.33 0.00 0.00 0.00 0.00 44.72 43.55 1x50 s GLY 53 CO 0.12 0.48 1.43 0.50 0.00 0.00 0.00 173.10 175.64 1x50 h LYS 54 N 8.14 -1.16 -1.59 2.90 1.57 -1.87 -3.45 116.57 121.12 1x50 h LYS 54 Ca -0.39 0.08 0.22 0.00 -1.87 0.00 0.00 60.65 58.68 1x50 h LYS 54 Cb 1.15 0.26 -0.19 0.00 0.08 0.00 0.00 32.23 33.53 1x50 h LYS 54 CO 0.60 -0.77 0.75 -1.54 -0.57 0.00 0.00 179.45 177.91 1x50 s SER 55 N -3.96 -0.19 0.25 0.86 1.04 -1.26 -4.34 113.70 106.11 1x50 s SER 55 Ca -0.18 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1x50 s SER 55 Cb 0.02 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1x50 s SER 55 CO 0.53 -0.29 0.08 2.22 0.98 0.00 0.00 173.24 176.75 1x50 n PHE 56 N -0.00 -0.09 -3.66 5.02 -1.74 -1.25 -1.94 117.46 113.79 1x50 n PHE 56 Ca -0.02 -1.18 -0.15 0.00 -0.56 0.00 0.00 57.45 55.54 1x50 n PHE 56 Cb 0.59 -0.19 -0.08 0.00 1.52 0.00 0.00 39.48 41.32 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 -2.41 -1.30 -0.35 1.98 0.00 -0.21 -3.73 121.76 115.75 1x50 s ALA 57 Ca 0.06 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.19 1x50 s ALA 57 Cb -0.00 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.83 1x50 s ALA 57 CO 0.04 -0.29 0.09 0.42 0.00 0.00 0.00 175.76 176.02 1x50 s ILE 58 N -0.54 1.90 -0.06 0.00 1.09 0.98 -2.37 121.20 122.21 1x50 s ILE 58 Ca -0.07 -2.19 -0.07 0.00 -1.10 0.00 0.00 60.65 57.23 1x50 s ILE 58 Cb -0.03 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.92 1x50 s ILE 58 CO 0.04 -0.65 0.20 0.20 -0.10 0.00 0.00 174.94 174.63 1x50 s ASN 59 N 0.97 6.45 -0.39 3.58 0.01 -1.06 -2.13 114.94 122.37 1x50 s ASN 59 Ca 0.11 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 1x50 s ASN 59 Cb -0.19 -2.08 0.11 0.00 0.41 0.00 0.00 41.25 39.50 1x50 s ASN 59 CO -0.11 0.35 0.13 -0.36 -1.51 0.00 0.00 177.10 175.60 1x50 s PHE 60 N -1.14 3.65 0.47 2.20 0.40 0.16 -2.07 117.98 121.66 1x50 s PHE 60 Ca 0.20 -2.79 0.04 0.00 -0.60 0.00 0.00 56.93 53.79 1x50 s PHE 60 Cb -0.13 -3.04 0.02 0.00 0.51 0.00 0.00 43.02 40.38 1x50 s PHE 60 CO 0.10 -0.94 0.66 0.21 0.70 0.00 0.00 175.22 175.94 1x50 s LYS 61 N 0.88 2.74 -0.28 0.44 2.20 -0.19 -1.45 119.74 124.08 1x50 s LYS 61 Ca 0.11 -0.97 -0.10 0.00 -0.36 0.00 0.00 55.97 54.64 1x50 s LYS 61 Cb -0.21 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 1x50 s LYS 61 CO -0.06 -0.44 0.17 0.08 -0.36 0.00 0.00 175.35 174.74 1x50 s VAL 62 N -2.53 5.07 0.36 4.02 1.01 -0.74 -1.23 120.40 126.37 1x50 s VAL 62 Ca 0.55 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.67 1x50 s VAL 62 Cb -0.10 -3.43 0.31 0.00 0.00 0.00 0.00 36.38 33.17 1x50 s VAL 62 CO 0.36 0.25 1.90 1.23 0.00 0.00 0.00 175.10 178.83 1x50 h GLY 63 N 8.35 1.10 0.00 4.51 0.00 -1.79 -0.16 103.07 115.09 1x50 h GLY 63 Ca -0.35 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1x50 h GLY 63 CO 0.56 0.14 0.00 1.44 0.00 0.00 0.00 176.54 178.68 1x50 n SER 64 N -4.53 0.00 0.00 0.19 7.64 -1.26 -4.67 113.62 110.99 1x50 n SER 64 Ca 0.15 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1x50 n SER 64 Cb 0.39 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.57 0.00 0.00 6.43 7.64 -1.21 -5.05 113.62 119.87 1x50 n SER 65 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1x50 n SER 65 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 2.14 0.40 3.58 0.23 0.00 -0.07 -4.95 105.19 106.51 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 -0.71 4.54 -0.30 1.61 1.01 -1.26 -4.69 116.67 116.88 1x50 s ASP 67 Ca 0.00 -0.15 -0.21 0.00 0.71 0.00 0.00 52.55 52.90 1x50 s ASP 67 Cb 0.00 -1.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.88 1x50 s ASP 67 CO 0.00 0.29 0.65 -0.63 0.21 0.00 0.00 175.17 175.69 1x50 s ILE 68 N -0.96 4.93 -0.04 0.77 1.01 0.21 -1.79 121.20 125.33 1x50 s ILE 68 Ca 0.16 0.93 0.10 0.00 0.00 0.00 0.00 60.65 61.84 1x50 s ILE 68 Cb -0.11 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 1x50 s ILE 68 CO 0.06 -0.13 0.69 0.00 0.00 0.00 0.00 174.94 175.56 1x50 h ALA 69 N 8.14 0.70 -3.46 9.38 0.00 -1.46 -1.43 119.26 131.13 1x50 h ALA 69 Ca -0.26 -1.41 -0.28 0.00 0.00 0.00 0.00 54.91 52.95 1x50 h ALA 69 Cb 1.12 0.46 -0.33 0.00 0.00 0.00 0.00 17.79 19.03 1x50 h ALA 69 CO 0.81 1.53 -0.70 -1.17 0.00 0.00 0.00 179.25 179.72 1x50 s LEU 70 N -6.25 1.01 -0.37 0.00 2.96 -1.25 -4.57 118.68 110.21 1x50 s LEU 70 Ca -0.06 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1x50 s LEU 70 Cb 0.08 0.03 0.13 0.00 0.50 0.00 0.00 46.19 46.93 1x50 s LEU 70 CO 0.82 -0.13 0.19 -2.28 -1.32 0.00 0.00 176.35 173.63 1x50 s HIS 71 N 1.08 1.30 -0.12 5.38 5.65 0.54 -0.66 115.29 128.45 1x50 s HIS 71 Ca -0.09 -1.86 -0.13 0.00 0.25 0.00 0.00 55.06 53.24 1x50 s HIS 71 Cb -0.12 -1.40 -0.05 0.00 -1.18 0.00 0.00 32.58 29.83 1x50 s HIS 71 CO -0.04 -0.82 0.29 0.42 -0.65 0.00 0.00 174.74 173.94 1x50 s ILE 72 N 1.00 5.29 -0.21 0.89 1.01 -0.90 -0.74 121.20 127.53 1x50 s ILE 72 Ca 0.16 0.54 -0.04 0.00 0.00 0.00 0.00 60.65 61.30 1x50 s ILE 72 Cb -0.22 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1x50 s ILE 72 CO -0.07 0.47 0.13 0.21 0.00 0.00 0.00 174.94 175.68 1x50 s ASN 73 N -0.11 2.47 0.66 3.58 3.04 -0.53 -0.01 114.94 124.04 1x50 s ASN 73 Ca 0.17 -0.74 -0.15 0.00 0.04 0.00 0.00 52.86 52.19 1x50 s ASN 73 Cb -0.13 -0.13 0.00 0.00 -1.54 0.00 0.00 41.25 39.45 1x50 s ASN 73 CO 0.06 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.69 1x50 s PRO 74 N 2.17 2.78 -0.32 0.43 0.04 -1.24 -2.18 135.00 136.67 1x50 s PRO 74 Ca 0.05 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 1x50 s PRO 74 Cb -0.16 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.54 1x50 s PRO 74 CO -0.18 -1.27 0.10 1.03 0.04 0.00 0.00 177.00 176.72 1x50 s ARG 75 N -4.14 0.83 0.59 4.56 0.52 -1.19 -4.47 118.95 115.66 1x50 s ARG 75 Ca 0.67 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 54.46 1x50 s ARG 75 Cb -0.20 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1x50 s ARG 75 CO 0.42 -0.99 1.16 -1.33 0.02 0.00 0.00 175.30 174.58 1x50 n MET 76 N 4.70 1.17 0.00 3.54 2.81 -1.26 -2.48 117.12 125.60 1x50 n MET 76 Ca -0.01 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1x50 n MET 76 Cb 0.42 -2.36 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 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 1.05 1.62 0.39 3.03 0.00 -1.26 -4.51 105.19 105.51 1x50 n GLY 77 Ca 0.13 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.54 -0.18 1.61 -1.24 -2.01 -3.46 115.58 108.76 1x50 h ASN 78 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.29 1x50 h ASN 78 Cb 0.00 0.73 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1x50 h ASN 78 CO 0.00 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.45 1x50 n GLY 79 N -1.41 0.69 3.01 1.57 0.00 -1.04 -5.10 105.19 102.91 1x50 n GLY 79 Ca 0.05 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.57 -0.45 -0.39 2.61 -4.23 -1.25 -4.85 115.64 105.52 1x50 s THR 80 Ca 0.00 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 1x50 s THR 80 Cb 0.00 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.32 1x50 s THR 80 CO 0.00 0.06 0.29 -0.69 -0.54 0.00 0.00 174.62 173.74 1x50 s VAL 81 N 2.44 5.25 0.28 2.29 1.01 -1.26 -3.15 120.40 127.27 1x50 s VAL 81 Ca 0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 1x50 s VAL 81 Cb -0.13 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1x50 s VAL 81 CO -0.10 -0.22 0.96 -0.69 0.00 0.00 0.00 175.10 175.04 1x50 s VAL 82 N 1.74 4.07 -0.10 2.92 1.01 -0.93 -4.39 120.40 124.71 1x50 s VAL 82 Ca 0.06 1.90 0.02 0.00 0.00 0.00 0.00 61.98 63.96 1x50 s VAL 82 Cb -0.18 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1x50 s VAL 82 CO 0.10 0.32 -0.14 -0.13 0.00 0.00 0.00 175.10 175.26 1x50 s ARG 83 N -1.62 2.07 0.33 2.72 3.00 -1.02 -1.45 118.95 122.98 1x50 s ARG 83 Ca 0.46 -0.51 0.05 0.00 0.00 0.00 0.00 55.73 55.73 1x50 s ARG 83 Cb -0.23 -1.79 -0.03 0.00 0.00 0.00 0.00 34.95 32.90 1x50 s ARG 83 CO 0.29 -0.07 0.22 -0.80 0.00 0.00 0.00 175.30 174.94 1x50 s ASN 84 N 1.01 1.79 -0.29 0.23 -0.87 0.09 -1.04 114.94 115.85 1x50 s ASN 84 Ca -0.07 -1.69 0.02 0.00 -1.57 0.00 0.00 52.86 49.55 1x50 s ASN 84 Cb -0.15 0.52 0.19 0.00 -0.02 0.00 0.00 41.25 41.79 1x50 s ASN 84 CO -0.02 -1.00 0.57 -0.55 -2.57 0.00 0.00 177.10 173.53 1x50 s SER 85 N -3.41 -1.27 -0.20 -1.22 0.15 -1.26 0.20 113.70 106.68 1x50 s SER 85 Ca 0.36 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 57.18 1x50 s SER 85 Cb 0.03 1.98 -0.00 0.00 -1.71 0.00 0.00 66.02 66.31 1x50 s SER 85 CO 0.22 -0.29 1.17 -0.22 1.20 0.00 0.00 173.24 175.33 1x50 s LEU 86 N 2.81 4.12 0.32 3.45 2.96 -0.54 -0.72 118.68 131.08 1x50 s LEU 86 Ca 0.15 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 1x50 s LEU 86 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -0.75 0.49 -0.76 -1.32 0.00 0.00 176.35 173.78 1x50 s LEU 87 N 3.44 4.06 -0.84 -0.68 1.43 0.69 0.64 118.68 127.41 1x50 s LEU 87 Ca 0.50 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 1x50 s LEU 87 Cb -0.18 -3.05 -0.20 0.00 0.03 0.00 0.00 46.19 42.79 1x50 s LEU 87 CO 0.12 -0.30 2.38 -0.46 0.23 0.00 0.00 176.35 178.32 1x50 n ASN 88 N -1.68 0.34 0.00 2.29 2.04 -1.26 0.23 115.26 117.22 1x50 n ASN 88 Ca -0.05 0.24 0.00 0.00 -0.44 0.00 0.00 54.58 54.34 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 0.58 3.67 4.83 0.00 -1.26 -4.90 105.19 114.20 1x50 n GLY 89 Ca 0.59 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.41 4.06 0.20 1.61 0.15 0.64 -5.16 113.70 112.79 1x50 s SER 90 Ca 0.00 -1.31 0.06 0.00 0.70 0.00 0.00 55.95 55.41 1x50 s SER 90 Cb 0.00 -0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 1x50 s SER 90 CO 0.00 -0.52 -0.11 0.26 1.20 0.00 0.00 173.24 174.07 1x50 s TRP 91 N -2.69 1.59 0.00 3.44 0.52 -1.26 0.25 118.94 120.78 1x50 s TRP 91 Ca 0.35 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1x50 s TRP 91 Cb 0.07 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.61 1x50 s TRP 91 CO 0.18 0.24 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1x50 n GLY 92 N -0.35 0.58 3.60 0.98 0.00 0.10 -4.72 105.19 105.38 1x50 n GLY 92 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.62 -0.21 1.61 0.01 -1.26 -4.95 113.70 108.51 1x50 s SER 93 Ca 0.00 -1.37 -0.08 0.00 1.31 0.00 0.00 55.95 55.81 1x50 s SER 93 Cb 0.00 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 1x50 s SER 93 CO 0.00 -1.43 0.08 -1.61 0.41 0.00 0.00 173.24 170.69 1x50 s GLU 94 N -2.80 3.90 -0.28 12.44 2.02 -1.26 -3.89 118.70 128.83 1x50 s GLU 94 Ca 0.25 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.89 1x50 s GLU 94 Cb -0.02 -3.31 0.08 0.00 0.10 0.00 0.00 34.13 30.98 1x50 s GLU 94 CO 0.17 0.09 -0.01 -1.21 0.02 0.00 0.00 175.26 174.33 1x50 s GLU 95 N 0.88 1.59 -0.20 1.61 2.02 -0.21 -4.90 118.70 119.48 1x50 s GLU 95 Ca 0.04 -1.38 -0.03 0.00 0.02 0.00 0.00 54.97 53.62 1x50 s GLU 95 Cb -0.14 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 1x50 s GLU 95 CO 0.03 -0.76 -0.05 0.15 0.02 0.00 0.00 175.26 174.65 1x50 s LYS 96 N 1.19 3.42 -0.30 1.61 1.02 -1.26 -2.44 119.74 122.99 1x50 s LYS 96 Ca 0.01 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.29 1x50 s LYS 96 Cb -0.19 -2.96 0.18 0.00 -0.52 0.00 0.00 37.83 34.34 1x50 s LYS 96 CO -0.09 -0.09 0.97 0.21 -0.92 0.00 0.00 175.35 175.43 1x50 s LYS 97 N 1.21 0.24 0.02 1.68 2.47 -1.26 -5.06 119.74 119.03 1x50 s LYS 97 Ca 0.02 0.35 -0.08 0.00 -1.56 0.00 0.00 55.97 54.71 1x50 s LYS 97 Cb -0.14 0.18 -0.00 0.00 -1.46 0.00 0.00 37.83 36.41 1x50 s LYS 97 CO -0.01 -0.34 0.15 -1.50 0.16 0.00 0.00 175.35 173.81 1x50 s ILE 98 N 2.94 0.11 -0.22 5.43 2.07 -1.26 -4.65 121.20 125.61 1x50 s ILE 98 Ca 0.11 -0.87 -0.04 0.00 -1.41 0.00 0.00 60.65 58.44 1x50 s ILE 98 Cb -0.08 -0.72 -0.19 0.00 0.13 0.00 0.00 42.46 41.60 1x50 s ILE 98 CO -0.17 -0.48 -0.04 1.07 -1.91 0.00 0.00 174.94 173.42 1x50 n THR 99 N 1.01 1.59 -3.74 4.00 5.66 -1.25 -4.96 114.28 116.58 1x50 n THR 99 Ca -0.20 -0.54 -0.14 0.00 -3.05 0.00 0.00 64.05 60.11 1x50 n THR 99 Cb 0.57 -1.61 -0.15 0.00 -1.55 0.00 0.00 70.33 67.59 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 -2.52 -0.13 -0.63 1.09 -3.43 -1.26 -5.11 115.29 103.30 1x50 s HIS 100 Ca -0.31 0.44 -0.12 0.00 -0.80 0.00 0.00 55.06 54.27 1x50 s HIS 100 Cb 0.09 -0.14 0.16 0.00 -1.43 0.00 0.00 32.58 31.26 1x50 s HIS 100 CO 0.64 -0.17 0.54 1.21 -2.00 0.00 0.00 174.74 174.96 1x50 s ASN 101 N 1.32 6.14 0.14 7.38 3.84 -1.26 -4.90 114.94 127.59 1x50 s ASN 101 Ca -0.07 -2.25 -0.11 0.00 0.21 0.00 0.00 52.86 50.63 1x50 s ASN 101 Cb -0.12 -2.12 -0.05 0.00 -0.55 0.00 0.00 41.25 38.42 1x50 s ASN 101 CO -0.05 -0.66 1.47 1.55 -2.79 0.00 0.00 177.10 176.61 1x50 h PRO 102 N 8.18 0.91 -5.84 0.43 0.13 -1.99 -3.44 132.00 130.37 1x50 h PRO 102 Ca -0.11 -0.48 -0.72 0.00 -0.87 0.00 0.00 66.00 63.82 1x50 h PRO 102 Cb 1.06 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1x50 h PRO 102 CO 0.86 1.13 1.40 1.19 -0.23 0.00 0.00 178.00 182.35 1x50 n PHE 103 N -4.09 1.11 -4.48 1.56 3.72 -1.26 -4.90 117.46 109.11 1x50 n PHE 103 Ca -0.02 0.67 -0.20 0.00 -0.05 0.00 0.00 57.45 57.84 1x50 n PHE 103 Cb 0.53 -2.33 -0.15 0.00 -0.94 0.00 0.00 39.48 36.60 1x50 n PHE 103 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x50 s GLY 104 N 6.61 0.54 -0.60 1.37 0.00 -1.26 -4.68 107.32 109.30 1x50 s GLY 104 Ca 1.21 -0.47 -0.27 0.00 0.00 0.00 0.00 44.72 45.20 1x50 s GLY 104 CO 0.62 -0.37 1.85 2.56 0.00 0.00 0.00 173.10 177.76 1x50 s PRO 105 N -0.22 2.67 0.00 2.90 0.04 -1.26 -2.25 135.00 136.88 1x50 s PRO 105 Ca 0.04 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1x50 s PRO 105 Cb -0.05 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1x50 s PRO 105 CO -0.00 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1x50 n GLY 106 N 5.68 1.28 2.97 0.56 0.00 -0.00 -4.65 105.19 111.03 1x50 n GLY 106 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 1x50 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x50 s GLN 107 N -0.11 0.36 1.06 1.61 -2.07 -0.95 -4.96 119.66 114.60 1x50 s GLN 107 Ca 0.00 -0.36 -0.12 0.00 -1.82 0.00 0.00 55.36 53.06 1x50 s GLN 107 Cb 0.00 -0.24 0.22 0.00 -1.09 0.00 0.00 33.01 31.90 1x50 s GLN 107 CO 0.00 0.06 1.07 -0.06 -1.32 0.00 0.00 175.29 175.03 1x50 s PHE 108 N -0.60 1.81 -0.17 9.60 0.40 -1.26 -3.48 117.98 124.27 1x50 s PHE 108 Ca -0.04 1.11 -0.28 0.00 -0.60 0.00 0.00 56.93 57.13 1x50 s PHE 108 Cb -0.05 -3.19 0.08 0.00 0.51 0.00 0.00 43.02 40.37 1x50 s PHE 108 CO -0.00 -3.25 0.75 -0.59 0.70 0.00 0.00 175.22 172.83 1x50 s PHE 109 N -2.76 -0.68 -0.34 0.36 -0.71 -1.23 -4.83 117.98 107.79 1x50 s PHE 109 Ca 0.66 1.45 0.02 0.00 -1.04 0.00 0.00 56.93 58.03 1x50 s PHE 109 Cb -0.21 0.35 0.09 0.00 -1.21 0.00 0.00 43.02 42.04 1x50 s PHE 109 CO 0.60 -0.46 0.06 0.34 -1.34 0.00 0.00 175.22 174.42 1x50 s ASP 110 N -0.37 4.84 -0.13 1.98 -1.08 -1.26 -3.24 116.67 117.41 1x50 s ASP 110 Ca -0.04 -2.00 -0.09 0.00 -0.52 0.00 0.00 52.55 49.90 1x50 s ASP 110 Cb -0.03 -1.67 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 1x50 s ASP 110 CO 0.04 -0.38 0.17 -0.22 0.52 0.00 0.00 175.17 175.29 1x50 s LEU 111 N 0.99 4.35 -0.19 -1.34 1.98 -0.63 -2.09 118.68 121.75 1x50 s LEU 111 Ca 0.07 0.46 -0.04 0.00 -2.89 0.00 0.00 54.13 51.73 1x50 s LEU 111 Cb -0.20 -2.13 0.09 0.00 0.66 0.00 0.00 46.19 44.60 1x50 s LEU 111 CO -0.06 0.33 0.22 -0.44 -1.89 0.00 0.00 176.35 174.50 1x50 s SER 112 N -0.63 1.30 -0.08 3.68 0.01 -0.41 -0.07 113.70 117.51 1x50 s SER 112 Ca 0.14 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 1x50 s SER 112 Cb -0.12 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 1x50 s SER 112 CO 0.03 -0.32 0.35 -0.63 0.41 0.00 0.00 173.24 173.09 1x50 s ILE 113 N 2.32 5.19 -0.15 1.44 1.09 0.13 -0.65 121.20 130.58 1x50 s ILE 113 Ca 0.06 0.70 -0.03 0.00 -1.10 0.00 0.00 60.65 60.28 1x50 s ILE 113 Cb -0.15 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1x50 s ILE 113 CO -0.11 0.49 -0.05 -0.13 -0.10 0.00 0.00 174.94 175.04 1x50 s ARG 114 N -0.36 3.59 -0.32 2.79 0.52 -0.46 0.45 118.95 125.15 1x50 s ARG 114 Ca 0.21 -0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 54.77 1x50 s ARG 114 Cb -0.15 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 1x50 s ARG 114 CO 0.09 0.27 0.21 0.00 0.02 0.00 0.00 175.30 175.89 1x50 n GLY 116 N 5.07 4.38 0.02 0.00 0.00 -1.22 -4.07 105.19 109.36 1x50 n GLY 116 Ca -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 2.24 0.03 0.99 4.77 -1.26 -4.37 117.00 119.40 1x50 n LEU 117 Ca 0.00 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1x50 n LEU 117 Cb 0.00 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1x50 n LEU 117 CO 0.00 0.46 -0.59 0.44 -1.33 0.00 0.00 177.39 176.38 1x50 h ASP 118 N 0.00 0.40 -5.69 -1.43 5.19 -1.99 -3.49 116.42 109.40 1x50 h ASP 118 Ca -0.11 -0.71 0.30 0.00 -0.62 0.00 0.00 57.03 55.88 1x50 h ASP 118 Cb 1.20 -0.13 -0.11 0.00 0.18 0.00 0.00 39.33 40.47 1x50 h ASP 118 CO -0.01 1.62 0.76 0.00 -3.12 0.00 0.00 179.24 178.49 1x50 s ARG 119 N -2.58 0.56 0.38 3.56 1.70 -1.26 -4.25 118.95 117.05 1x50 s ARG 119 Ca -0.15 -0.31 -0.04 0.00 -0.47 0.00 0.00 55.73 54.76 1x50 s ARG 119 Cb 0.07 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1x50 s ARG 119 CO 0.82 -0.26 0.65 -0.06 -1.08 0.00 0.00 175.30 175.37 1x50 s PHE 120 N -2.57 3.51 -0.32 5.89 0.40 -1.03 -3.45 117.98 120.42 1x50 s PHE 120 Ca 0.14 0.64 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1x50 s PHE 120 Cb 0.03 -2.13 0.10 0.00 0.51 0.00 0.00 43.02 41.53 1x50 s PHE 120 CO -0.03 -0.02 0.11 0.15 0.70 0.00 0.00 175.22 176.13 1x50 s LYS 121 N -4.23 0.71 0.10 0.44 1.02 -0.40 -3.09 119.74 114.29 1x50 s LYS 121 Ca 0.44 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 55.12 1x50 s LYS 121 Cb -0.10 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.18 1x50 s LYS 121 CO 0.37 -1.00 0.67 0.08 -0.92 0.00 0.00 175.35 174.55 1x50 s VAL 122 N 1.57 4.60 0.07 3.17 1.01 -0.91 -1.36 120.40 128.54 1x50 s VAL 122 Ca 0.10 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1x50 s VAL 122 Cb -0.18 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1x50 s VAL 122 CO -0.24 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 174.91 1x50 s TYR 123 N -0.97 1.33 -0.19 5.22 1.51 0.18 -2.02 117.35 122.42 1x50 s TYR 123 Ca 0.33 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1x50 s TYR 123 Cb -0.21 -0.76 0.06 0.00 -0.11 0.00 0.00 41.96 40.94 1x50 s TYR 123 CO 0.22 0.08 0.06 0.00 -1.11 0.00 0.00 175.55 174.80 1x50 s ALA 124 N -1.15 0.74 -1.52 3.71 0.00 0.08 -1.28 121.76 122.33 1x50 s ALA 124 Ca 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1x50 s ALA 124 Cb -0.10 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.92 1x50 s ALA 124 CO 0.02 -1.19 0.53 0.09 0.00 0.00 0.00 175.76 175.21 1x50 n ASN 125 N 5.16 -5.68 -0.85 0.00 3.02 -0.89 -2.17 115.26 113.85 1x50 n ASN 125 Ca -0.08 -0.27 -0.02 0.00 -0.03 0.00 0.00 54.58 54.18 1x50 n ASN 125 Cb 0.48 -4.62 0.01 0.00 -0.61 0.00 0.00 39.78 35.04 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 -1.41 0.78 3.02 7.41 0.00 -1.26 -5.07 105.19 108.66 1x50 n GLY 126 Ca -0.11 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -5.09 0.17 -0.56 1.61 -0.21 -0.92 -5.10 119.66 109.57 1x50 s GLN 127 Ca 0.06 0.34 -0.27 0.00 0.02 0.00 0.00 55.36 55.52 1x50 s GLN 127 Cb -0.03 -0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 1x50 s GLN 127 CO 0.08 -0.10 1.94 -1.58 -2.12 0.00 0.00 175.29 173.51 1x50 s HIS 128 N 0.67 1.59 -0.01 0.91 5.65 -1.26 -0.74 115.29 122.10 1x50 s HIS 128 Ca -0.05 0.89 -0.04 0.00 0.25 0.00 0.00 55.06 56.11 1x50 s HIS 128 Cb -0.06 -4.02 -0.02 0.00 -1.18 0.00 0.00 32.58 27.30 1x50 s HIS 128 CO -0.04 -2.43 0.48 1.25 -0.65 0.00 0.00 174.74 173.35 1x50 h LEU 129 N 16.57 -0.13 -7.77 8.88 5.85 -1.75 -3.44 115.31 133.52 1x50 h LEU 129 Ca -0.27 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.62 1x50 h LEU 129 Cb 1.18 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1x50 h LEU 129 CO 1.18 -0.01 0.51 0.72 -0.34 0.00 0.00 178.44 180.50 1x50 s PHE 130 N -2.24 -0.05 0.21 1.25 -0.12 -1.25 -3.95 117.98 111.83 1x50 s PHE 130 Ca -0.02 -0.31 0.10 0.00 -0.05 0.00 0.00 56.93 56.64 1x50 s PHE 130 Cb 0.00 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 1x50 s PHE 130 CO 0.07 -0.90 -0.13 0.16 -0.05 0.00 0.00 175.22 174.37 1x50 s ASP 131 N -3.10 4.03 -0.30 1.98 1.47 -1.26 -2.15 116.67 117.33 1x50 s ASP 131 Ca 0.16 -0.70 0.03 0.00 1.18 0.00 0.00 52.55 53.22 1x50 s ASP 131 Cb -0.02 -0.58 0.08 0.00 -0.34 0.00 0.00 42.92 42.06 1x50 s ASP 131 CO 0.04 0.09 -0.02 0.12 0.68 0.00 0.00 175.17 176.07 1x50 s PHE 132 N -1.86 3.52 0.32 2.11 5.36 -1.18 -4.95 117.98 121.30 1x50 s PHE 132 Ca 0.25 -2.69 -0.29 0.00 -0.96 0.00 0.00 56.93 53.24 1x50 s PHE 132 Cb -0.08 -2.47 -0.11 0.00 -0.34 0.00 0.00 43.02 40.02 1x50 s PHE 132 CO 0.15 -0.92 1.56 0.00 -1.46 0.00 0.00 175.22 174.55 1x50 n ALA 133 N 4.34 2.48 -1.76 11.12 0.00 -1.26 -2.45 120.51 132.98 1x50 n ALA 133 Ca -0.04 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 1x50 n ALA 133 Cb 0.42 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 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 -0.35 1.38 -0.22 0.00 0.09 -1.26 -4.82 115.29 110.10 1x50 s HIS 134 Ca 0.61 0.86 -0.20 0.00 -0.00 0.00 0.00 55.06 56.32 1x50 s HIS 134 Cb -0.49 -3.91 -0.18 0.00 -0.00 0.00 0.00 32.58 28.00 1x50 s HIS 134 CO 0.53 -3.16 0.10 0.54 -0.00 0.00 0.00 174.74 172.76 1x50 n ARG 135 N 8.79 0.57 -3.25 1.40 1.74 -1.26 -4.81 116.66 119.84 1x50 n ARG 135 Ca 0.28 0.52 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 1x50 n ARG 135 Cb 0.49 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 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 -7.81 4.84 0.46 0.55 2.96 -1.26 -4.93 118.68 113.49 1x50 s LEU 136 Ca -0.30 -0.68 0.22 0.00 -0.22 0.00 0.00 54.13 53.15 1x50 s LEU 136 Cb 0.07 -2.46 1.21 0.00 0.50 0.00 0.00 46.19 45.52 1x50 s LEU 136 CO 0.57 -0.68 1.87 -1.28 -1.32 0.00 0.00 176.35 175.50 1x50 h SER 137 N 8.81 0.28 -0.10 3.68 0.87 -2.00 0.47 113.55 125.55 1x50 h SER 137 Ca -0.26 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1x50 h SER 137 Cb 1.10 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1x50 h SER 137 CO 0.85 0.10 0.03 0.00 -0.53 0.00 0.00 176.83 177.29 1x50 n ALA 138 N -2.58 2.77 -0.36 6.23 0.00 -1.26 -4.37 120.51 120.95 1x50 n ALA 138 Ca 0.19 -0.31 0.27 0.00 0.00 0.00 0.00 53.44 53.59 1x50 n ALA 138 Cb 0.78 -1.03 0.52 0.00 0.00 0.00 0.00 19.45 19.72 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 0.38 0.75 -0.56 0.00 -0.00 -0.44 0.26 116.94 117.33 1x50 h PHE 139 Ca 0.03 0.03 0.10 0.00 -0.00 0.00 0.00 57.97 58.13 1x50 h PHE 139 Cb 0.91 -0.20 -0.08 0.00 -0.00 0.00 0.00 35.95 36.58 1x50 h PHE 139 CO 0.17 -0.10 0.13 -0.56 -0.00 0.00 0.00 178.31 177.95 1x50 h GLN 140 N 0.30 0.26 -0.86 6.09 3.07 -1.76 -1.08 115.11 121.12 1x50 h GLN 140 Ca 0.71 -0.02 0.20 0.00 0.09 0.00 0.00 58.65 59.63 1x50 h GLN 140 Cb 1.83 -0.06 -0.12 0.00 0.08 0.00 0.00 27.48 29.21 1x50 h GLN 140 CO -0.46 0.17 0.35 0.00 0.09 0.00 0.00 178.83 178.98 1x50 h ARG 141 N 0.26 0.38 -5.70 0.06 3.08 -0.77 -1.36 114.38 110.32 1x50 h ARG 141 Ca 0.29 -0.02 -0.68 0.00 0.07 0.00 0.00 59.98 59.63 1x50 h ARG 141 Cb 0.40 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1x50 h ARG 141 CO -0.36 0.25 1.46 0.28 -1.07 0.00 0.00 179.97 180.53 1x50 n VAL 142 N -5.05 0.01 -2.20 2.04 0.31 -0.41 -4.48 118.33 108.55 1x50 n VAL 142 Ca 0.20 -0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.52 1x50 n VAL 142 Cb 0.59 -0.63 0.09 0.00 -0.91 0.00 0.00 33.84 32.97 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 8.71 1.57 -3.61 4.52 5.68 -1.18 -1.94 116.55 130.29 1x50 n ASP 143 Ca 0.57 -2.77 -0.21 0.00 -0.50 0.00 0.00 54.79 51.88 1x50 n ASP 143 Cb 0.01 -0.40 -0.16 0.00 -1.14 0.00 0.00 41.12 39.43 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 -1.79 -0.19 -0.34 2.12 2.01 -0.36 -0.63 115.64 116.46 1x50 s THR 144 Ca 0.36 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 1x50 s THR 144 Cb 0.38 -0.43 0.05 0.00 0.01 0.00 0.00 72.50 72.51 1x50 s THR 144 CO -0.11 -0.05 0.08 -0.22 -0.69 0.00 0.00 174.62 173.64 1x50 s LEU 145 N 2.23 4.31 0.19 4.42 2.96 0.68 -1.02 118.68 132.45 1x50 s LEU 145 Ca 0.04 -1.32 0.08 0.00 -0.22 0.00 0.00 54.13 52.71 1x50 s LEU 145 Cb -0.14 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1x50 s LEU 145 CO -0.07 -0.34 -0.02 -1.83 -1.32 0.00 0.00 176.35 172.77 1x50 s GLU 146 N 1.31 2.33 -0.12 1.98 -1.05 -0.88 0.03 118.70 122.29 1x50 s GLU 146 Ca -0.02 -1.18 -0.04 0.00 -0.15 0.00 0.00 54.97 53.59 1x50 s GLU 146 Cb -0.20 -2.30 0.06 0.00 -0.44 0.00 0.00 34.13 31.25 1x50 s GLU 146 CO 0.00 0.44 0.17 0.42 0.95 0.00 0.00 175.26 177.24 1x50 s ILE 147 N -1.80 -0.26 0.36 1.83 1.01 -0.49 -2.58 121.20 119.27 1x50 s ILE 147 Ca 0.27 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.15 1x50 s ILE 147 Cb -0.09 -0.42 -0.07 0.00 0.01 0.00 0.00 42.46 41.89 1x50 s ILE 147 CO 0.18 0.01 0.04 0.00 0.00 0.00 0.00 174.94 175.17 1x50 s GLN 148 N 2.28 1.79 0.00 2.79 0.00 -1.00 -1.39 119.66 124.14 1x50 s GLN 148 Ca 0.04 -2.00 0.00 0.00 -0.00 0.00 0.00 55.36 53.39 1x50 s GLN 148 Cb -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 33.01 31.70 1x50 s GLN 148 CO -0.08 -0.14 0.00 0.41 0.00 0.00 0.00 175.29 175.48 1x50 n GLY 149 N -0.81 -0.22 3.25 2.60 0.00 -1.26 -1.04 105.19 107.71 1x50 n GLY 149 Ca -0.04 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1x50 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 150 N -4.00 6.14 -0.10 1.61 1.11 -0.82 -4.91 116.67 115.69 1x50 s ASP 150 Ca 0.00 -2.47 -0.15 0.00 0.18 0.00 0.00 52.55 50.10 1x50 s ASP 150 Cb 0.00 -2.09 0.04 0.00 1.07 0.00 0.00 42.92 41.94 1x50 s ASP 150 CO 0.00 -0.58 0.39 0.54 1.18 0.00 0.00 175.17 176.70 1x50 s VAL 151 N 0.51 0.02 -0.63 -1.27 0.11 -1.26 -3.95 120.40 113.93 1x50 s VAL 151 Ca 0.13 -0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 1x50 s VAL 151 Cb -0.18 -0.61 0.16 0.00 -1.53 0.00 0.00 36.38 34.22 1x50 s VAL 151 CO -0.05 -0.08 0.53 -0.89 -3.33 0.00 0.00 175.10 171.28 1x50 s THR 152 N -0.33 4.67 0.12 5.04 2.01 -0.88 -4.95 115.64 121.31 1x50 s THR 152 Ca -0.05 -2.27 -0.30 0.00 0.31 0.00 0.00 61.69 59.38 1x50 s THR 152 Cb -0.03 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 1x50 s THR 152 CO 0.02 -0.90 1.01 -0.76 -0.69 0.00 0.00 174.62 173.31 1x50 s LEU 153 N 0.64 4.48 -0.01 4.42 1.43 -1.26 0.43 118.68 128.81 1x50 s LEU 153 Ca 0.12 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1x50 s LEU 153 Cb -0.20 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1x50 s LEU 153 CO -0.04 -0.14 -0.01 -1.20 0.23 0.00 0.00 176.35 175.20 1x50 n SER 154 N 2.81 3.94 -3.75 2.29 7.64 -0.18 -4.12 113.62 122.25 1x50 n SER 154 Ca 0.03 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.77 1x50 n SER 154 Cb 0.48 -0.01 -0.14 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 -2.02 -0.22 -0.21 1.43 6.14 -0.43 -2.36 117.35 119.68 1x50 s TYR 155 Ca -0.01 0.58 -0.04 0.00 0.64 0.00 0.00 57.07 58.23 1x50 s TYR 155 Cb 0.00 -0.03 0.08 0.00 0.42 0.00 0.00 41.96 42.43 1x50 s TYR 155 CO 0.02 -0.18 0.12 0.08 0.64 0.00 0.00 175.55 176.23 1x50 s VAL 156 N 1.08 -0.11 -0.04 3.14 1.01 -1.24 -1.00 120.40 123.25 1x50 s VAL 156 Ca -0.08 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1x50 s VAL 156 Cb -0.10 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1x50 s VAL 156 CO -0.06 -0.42 -0.23 -1.58 0.00 0.00 0.00 175.10 172.81 1x50 s GLN 157 N 2.15 2.31 -0.64 2.72 0.74 -1.23 -3.19 119.66 122.52 1x50 s GLN 157 Ca 0.05 -0.86 -0.08 0.00 0.05 0.00 0.00 55.36 54.51 1x50 s GLN 157 Cb -0.16 -2.16 0.17 0.00 1.10 0.00 0.00 33.01 31.96 1x50 s GLN 157 CO -0.19 0.54 0.51 0.42 -0.55 0.00 0.00 175.29 176.02 1x50 s ILE 158 N -0.54 4.47 0.61 -2.34 1.01 -1.26 -3.17 121.20 119.98 1x50 s ILE 158 Ca 0.08 -2.42 -0.19 0.00 0.00 0.00 0.00 60.65 58.11 1x50 s ILE 158 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1x50 s ILE 158 CO 0.00 -0.89 1.29 -0.55 0.00 0.00 0.00 174.94 174.79 1x50 s SER 159 N 1.81 4.92 0.00 3.58 0.15 -0.99 -4.88 113.70 118.28 1x50 s SER 159 Ca 0.13 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.38 1x50 s SER 159 Cb -0.19 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1x50 s SER 159 CO -0.04 -1.79 0.00 0.61 1.20 0.00 0.00 173.24 173.22 1x50 n GLY 160 N 0.76 0.84 3.55 9.45 0.00 -1.26 -3.38 105.19 115.16 1x50 n GLY 160 Ca 0.14 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.54 2.67 0.48 1.61 0.04 -1.26 -4.98 135.00 132.01 1x50 s PRO 161 Ca 0.00 0.66 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 1x50 s PRO 161 Cb 0.00 -4.37 -0.08 0.00 0.04 0.00 0.00 34.50 30.09 1x50 s PRO 161 CO 0.00 -2.68 0.93 0.45 0.04 0.00 0.00 177.00 175.74 1x50 s SER 162 N 7.96 6.64 0.12 6.66 0.15 -1.26 -4.92 113.70 129.05 1x50 s SER 162 Ca 0.68 1.48 0.03 0.00 0.70 0.00 0.00 55.95 58.84 1x50 s SER 162 Cb -0.13 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1x50 s SER 162 CO 0.22 -0.51 0.14 -0.94 1.20 0.00 0.00 173.24 173.35 1x50 s SER 163 N -2.97 5.72 0.00 5.45 1.04 -1.26 -5.17 113.70 116.50 1x50 s SER 163 Ca 0.57 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1x50 s SER 163 Cb -0.10 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1x50 s SER 163 CO 0.29 0.11 0.27 0.61 0.98 0.00 0.00 173.24 175.50