#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x50 n SER 2 N 0.00 0.89 -4.20 1.61 7.64 -1.26 -5.08 113.62 113.21 1x50 n SER 2 Ca 0.00 0.13 -0.17 0.00 1.01 0.00 0.00 58.87 59.84 1x50 n SER 2 Cb 0.00 -0.32 -0.11 0.00 -1.01 0.00 0.00 64.21 62.77 1x50 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x50 s SER 3 N -5.80 1.75 0.00 6.43 1.04 -1.26 -5.10 113.70 110.76 1x50 s SER 3 Ca -0.09 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1x50 s SER 3 Cb 0.03 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1x50 s SER 3 CO 0.12 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1x50 n GLY 4 N 0.78 0.41 3.37 7.32 0.00 -1.26 -5.18 105.19 110.63 1x50 n GLY 4 Ca -0.17 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1x50 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 5 N 0.00 2.88 -0.26 1.61 0.01 -1.26 -5.07 113.70 111.62 1x50 s SER 5 Ca 0.00 -0.94 -0.14 0.00 1.31 0.00 0.00 55.95 56.18 1x50 s SER 5 Cb 0.00 -0.19 -0.15 0.00 0.21 0.00 0.00 66.02 65.90 1x50 s SER 5 CO 0.00 -0.05 -0.19 -0.24 0.41 0.00 0.00 173.24 173.17 1x50 n SER 6 N -0.08 1.95 0.00 2.44 2.88 -1.26 -5.11 113.62 114.43 1x50 n SER 6 Ca -0.10 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1x50 n SER 6 Cb 0.58 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1x50 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 7 N 1.42 2.41 3.71 0.46 0.00 -1.26 -5.06 105.19 106.86 1x50 n GLY 7 Ca -0.48 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 3.62 -1.04 1.61 0.00 -1.26 -4.98 115.29 113.24 1x50 s HIS 8 Ca 0.00 1.48 -0.23 0.00 -3.00 0.00 0.00 55.06 53.32 1x50 s HIS 8 Cb 0.00 -2.97 0.04 0.00 -4.00 0.00 0.00 32.58 25.65 1x50 s HIS 8 CO 0.00 0.04 1.55 -0.65 -1.00 0.00 0.00 174.74 174.68 1x50 s GLN 9 N 0.89 3.49 -0.68 -0.38 -1.52 -1.26 -4.89 119.66 115.31 1x50 s GLN 9 Ca 0.45 -1.12 0.04 0.00 -1.95 0.00 0.00 55.36 52.78 1x50 s GLN 9 Cb -0.19 -5.34 0.17 0.00 -0.22 0.00 0.00 33.01 27.42 1x50 s GLN 9 CO 0.23 -2.40 0.47 -1.14 -0.25 0.00 0.00 175.29 172.21 1x50 s GLN 10 N 5.18 2.45 -0.40 2.91 0.74 -1.26 -4.91 119.66 124.37 1x50 s GLN 10 Ca 0.50 -3.15 0.05 0.00 0.05 0.00 0.00 55.36 52.82 1x50 s GLN 10 Cb -0.00 -3.48 0.44 0.00 1.10 0.00 0.00 33.01 31.07 1x50 s GLN 10 CO -0.06 -1.24 1.27 1.28 -0.55 0.00 0.00 175.29 175.99 1x50 n LEU 11 N 2.33 5.20 -0.36 3.68 4.77 -1.26 -4.80 117.00 126.56 1x50 n LEU 11 Ca 0.16 -4.89 0.01 0.00 -0.03 0.00 0.00 56.01 51.27 1x50 n LEU 11 Cb 0.35 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1x50 n LEU 11 CO 0.30 2.09 1.27 0.78 -1.33 0.00 0.00 177.39 180.50 1x50 h ASN 12 N 2.35 1.06 -2.39 -1.43 2.35 -2.03 -3.43 115.58 112.07 1x50 h ASN 12 Ca 0.37 -0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.59 1x50 h ASN 12 Cb 1.19 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.27 1x50 h ASN 12 CO 0.89 0.71 -0.54 -0.94 -1.65 0.00 0.00 177.43 175.90 1x50 s SER 13 N -5.99 5.55 0.63 5.81 1.04 -1.26 -5.08 113.70 114.40 1x50 s SER 13 Ca -0.12 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 1x50 s SER 13 Cb 0.19 -1.44 -0.06 0.00 0.10 0.00 0.00 66.02 64.82 1x50 s SER 13 CO 0.81 0.00 0.66 0.18 0.98 0.00 0.00 173.24 175.88 1x50 n LEU 14 N -0.87 1.71 0.00 2.42 4.77 -1.26 -4.99 117.00 118.77 1x50 n LEU 14 Ca -0.08 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1x50 n LEU 14 Cb 0.57 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1x50 n LEU 14 CO 0.43 -2.72 0.00 -0.81 -1.33 0.00 0.00 177.39 172.96 1x50 n PRO 15 N -0.62 0.21 -3.30 3.23 -0.04 -1.26 -4.87 135.00 128.35 1x50 n PRO 15 Ca 0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.25 1x50 n PRO 15 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.39 4.82 -0.55 0.52 2.01 -1.26 -4.51 115.64 116.29 1x50 s THR 16 Ca 0.00 0.70 -0.18 0.00 0.31 0.00 0.00 61.69 62.52 1x50 s THR 16 Cb 0.00 -3.63 0.09 0.00 0.01 0.00 0.00 72.50 68.97 1x50 s THR 16 CO 0.00 -0.08 0.62 -0.04 -0.69 0.00 0.00 174.62 174.43 1x50 s MET 17 N -2.79 3.05 0.31 4.92 -1.94 -1.26 -5.04 119.30 116.54 1x50 s MET 17 Ca 0.49 -1.27 0.09 0.00 -1.71 0.00 0.00 55.69 53.29 1x50 s MET 17 Cb -0.11 -4.21 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 1x50 s MET 17 CO 0.20 -1.37 0.08 -1.83 -0.01 0.00 0.00 175.02 172.09 1x50 s GLU 18 N 2.39 2.33 5.76 2.03 4.04 -1.26 -5.00 118.70 128.99 1x50 s GLU 18 Ca 0.10 -1.51 0.00 0.00 0.04 0.00 0.00 54.97 53.60 1x50 s GLU 18 Cb -0.24 -2.15 0.00 0.00 0.02 0.00 0.00 34.13 31.76 1x50 s GLU 18 CO 0.07 0.21 0.00 0.41 -1.84 0.00 0.00 175.26 174.11 1x50 n GLY 19 N -1.05 0.63 3.68 -3.83 0.00 -1.07 -4.87 105.19 98.69 1x50 n GLY 19 Ca -0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 0.54 1.14 1.61 0.04 -1.26 -4.88 135.00 132.20 1x50 s PRO 20 Ca 0.00 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 61.42 1x50 s PRO 20 Cb 0.00 -1.75 0.28 0.00 0.04 0.00 0.00 34.50 33.08 1x50 s PRO 20 CO 0.00 -2.67 1.01 -0.35 0.04 0.00 0.00 177.00 175.03 1x50 n PRO 21 N -4.14 -3.01 -3.79 0.56 -0.04 -1.26 -5.05 135.00 118.26 1x50 n PRO 21 Ca 0.05 -1.62 -0.32 0.00 -0.04 0.00 0.00 63.50 61.58 1x50 n PRO 21 Cb 0.57 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1x50 n PRO 21 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x50 s THR 22 N -2.83 5.29 -0.03 0.52 -1.32 -1.22 -5.04 115.64 111.01 1x50 s THR 22 Ca 0.66 -0.11 -0.00 0.00 -1.21 0.00 0.00 61.69 61.02 1x50 s THR 22 Cb -0.06 -3.61 0.03 0.00 -1.51 0.00 0.00 72.50 67.34 1x50 s THR 22 CO 0.50 0.15 0.02 -0.36 -2.21 0.00 0.00 174.62 172.73 1x50 s PHE 23 N -1.52 0.18 -1.15 9.09 0.40 -1.26 -3.51 117.98 120.20 1x50 s PHE 23 Ca 0.36 0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.75 1x50 s PHE 23 Cb -0.13 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.04 1x50 s PHE 23 CO 0.24 -0.13 0.98 0.09 0.70 0.00 0.00 175.22 177.09 1x50 n ASN 24 N 4.39 -3.25 -4.75 1.36 3.02 -0.76 -4.95 115.26 110.34 1x50 n ASN 24 Ca -0.22 -0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 53.37 1x50 n ASN 24 Cb 0.50 -4.75 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 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 -5.54 4.41 0.97 3.52 0.04 -1.26 -5.02 135.00 132.12 1x50 s PRO 25 Ca 0.16 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 1x50 s PRO 25 Cb -0.07 -3.17 0.24 0.00 0.04 0.00 0.00 34.50 31.54 1x50 s PRO 25 CO 0.67 -0.18 0.86 -0.35 0.04 0.00 0.00 177.00 178.04 1x50 n PRO 26 N 2.14 -2.69 -3.83 0.56 -0.04 -1.26 -4.50 135.00 125.37 1x50 n PRO 26 Ca 0.04 -1.38 -0.13 0.00 -0.04 0.00 0.00 63.50 62.00 1x50 n PRO 26 Cb 0.43 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.56 -0.01 0.41 0.52 1.01 -1.26 -3.05 120.40 115.46 1x50 s VAL 27 Ca 0.56 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 1x50 s VAL 27 Cb -0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 36.38 36.14 1x50 s VAL 27 CO 0.43 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.57 1x50 s PRO 28 N 0.24 3.99 -0.31 2.72 0.04 -1.26 -5.04 135.00 135.37 1x50 s PRO 28 Ca -0.02 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.03 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1x50 s PRO 28 CO -0.01 -0.38 0.33 -0.47 0.04 0.00 0.00 177.00 176.51 1x50 s TYR 29 N -1.42 3.22 -0.50 0.56 6.14 -0.73 -4.88 117.35 119.74 1x50 s TYR 29 Ca 0.58 0.09 -0.15 0.00 0.64 0.00 0.00 57.07 58.23 1x50 s TYR 29 Cb -0.31 -2.59 0.10 0.00 0.42 0.00 0.00 41.96 39.59 1x50 s TYR 29 CO 0.39 -0.34 0.44 -0.06 0.64 0.00 0.00 175.55 176.62 1x50 s PHE 30 N 1.97 3.26 -0.43 4.97 0.08 -1.26 -1.59 117.98 124.98 1x50 s PHE 30 Ca 0.11 -1.19 -0.17 0.00 0.12 0.00 0.00 56.93 55.81 1x50 s PHE 30 Cb -0.16 -3.49 0.03 0.00 -0.57 0.00 0.00 43.02 38.82 1x50 s PHE 30 CO 0.11 -0.92 0.41 0.20 -0.10 0.00 0.00 175.22 174.91 1x50 s GLY 31 N 3.08 1.93 -0.57 4.36 0.00 0.10 -4.80 107.32 111.42 1x50 s GLY 31 Ca 0.04 -1.63 -0.27 0.00 0.00 0.00 0.00 44.72 42.85 1x50 s GLY 31 CO 0.04 1.10 1.64 0.50 0.00 0.00 0.00 173.10 176.38 1x50 s ARG 32 N 2.00 3.01 -0.24 2.90 1.81 -1.26 -1.28 118.95 125.88 1x50 s ARG 32 Ca 0.10 0.57 -0.29 0.00 -1.72 0.00 0.00 55.73 54.38 1x50 s ARG 32 Cb -0.18 -4.25 -0.02 0.00 -0.45 0.00 0.00 34.95 30.05 1x50 s ARG 32 CO 0.12 -2.29 1.55 -0.51 -0.68 0.00 0.00 175.30 173.49 1x50 s LEU 33 N 7.41 3.87 -0.83 2.53 1.43 -0.86 -4.47 118.68 127.75 1x50 s LEU 33 Ca 0.60 1.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.99 1x50 s LEU 33 Cb -0.13 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.64 1x50 s LEU 33 CO 0.23 -1.23 1.14 -1.10 0.23 0.00 0.00 176.35 175.62 1x50 s GLN 34 N 4.59 3.39 0.00 1.70 -1.52 -1.26 -3.72 119.66 122.84 1x50 s GLN 34 Ca 0.68 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 1x50 s GLN 34 Cb -0.23 -4.69 0.00 0.00 -0.22 0.00 0.00 33.01 27.88 1x50 s GLN 34 CO 0.28 -1.91 0.00 0.41 -0.25 0.00 0.00 175.29 173.82 1x50 n GLY 35 N 5.68 1.86 0.00 3.09 0.00 -1.26 -5.07 105.19 109.49 1x50 n GLY 35 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.52 3.55 -0.02 0.00 -1.24 -4.81 105.19 102.14 1x50 n GLY 36 Ca 0.00 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.12 2.47 -4.47 0.99 4.77 -0.79 -4.94 117.00 113.91 1x50 n LEU 37 Ca 0.00 -0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 1x50 n LEU 37 Cb 0.00 -1.48 -0.12 0.00 -2.33 0.00 0.00 43.42 39.49 1x50 n LEU 37 CO 0.00 -1.09 -0.51 0.42 -1.33 0.00 0.00 177.39 174.88 1x50 s THR 38 N 9.96 2.72 0.65 -5.08 -4.23 -1.26 -4.11 115.64 114.29 1x50 s THR 38 Ca 1.04 -1.56 0.41 0.00 -1.18 0.00 0.00 61.69 60.40 1x50 s THR 38 Cb -0.41 -2.24 0.42 0.00 1.34 0.00 0.00 72.50 71.62 1x50 s THR 38 CO 0.34 0.10 2.33 0.00 -0.54 0.00 0.00 174.62 176.85 1x50 h ALA 39 N 3.77 1.14 -0.66 3.99 0.00 -1.81 0.12 119.26 125.81 1x50 h ALA 39 Ca -0.50 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 1x50 h ALA 39 Cb 1.17 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1x50 h ALA 39 CO 0.44 -0.02 0.26 0.54 0.00 0.00 0.00 179.25 180.48 1x50 n ARG 40 N -3.26 2.82 -4.87 0.00 5.12 -1.26 -4.70 116.66 110.52 1x50 n ARG 40 Ca -0.03 -3.07 -0.31 0.00 -1.93 0.00 0.00 57.85 52.51 1x50 n ARG 40 Cb 0.09 -2.07 -0.14 0.00 -1.16 0.00 0.00 32.46 29.18 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 -3.12 2.14 -0.06 5.56 3.52 0.03 -3.82 118.95 123.21 1x50 s ARG 41 Ca 0.52 -0.92 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1x50 s ARG 41 Cb 0.43 -2.17 0.03 0.00 -1.56 0.00 0.00 34.95 31.68 1x50 s ARG 41 CO 0.09 0.56 0.02 0.99 -0.81 0.00 0.00 175.30 176.15 1x50 s THR 42 N -0.80 0.20 -0.07 4.11 2.01 -0.66 -2.45 115.64 117.98 1x50 s THR 42 Ca 0.13 0.21 -0.19 0.00 0.31 0.00 0.00 61.69 62.15 1x50 s THR 42 Cb -0.10 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1x50 s THR 42 CO 0.02 0.22 0.52 -0.63 -0.69 0.00 0.00 174.62 174.06 1x50 s ILE 43 N 1.92 5.09 -0.15 1.82 1.09 0.19 -1.88 121.20 129.27 1x50 s ILE 43 Ca 0.03 1.05 -0.00 0.00 -1.10 0.00 0.00 60.65 60.63 1x50 s ILE 43 Cb -0.12 -3.85 0.03 0.00 -1.06 0.00 0.00 42.46 37.46 1x50 s ILE 43 CO -0.04 0.37 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.47 1x50 s ILE 44 N 0.22 1.15 -0.31 2.92 1.01 -1.20 0.64 121.20 125.63 1x50 s ILE 44 Ca 0.28 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 1x50 s ILE 44 Cb -0.16 -1.24 0.07 0.00 0.01 0.00 0.00 42.46 41.13 1x50 s ILE 44 CO 0.13 0.24 0.01 -0.63 0.00 0.00 0.00 174.94 174.69 1x50 s ILE 45 N 1.63 2.78 -0.31 2.92 1.01 0.18 -3.29 121.20 126.13 1x50 s ILE 45 Ca 0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.00 1x50 s ILE 45 Cb -0.14 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.67 1x50 s ILE 45 CO -0.08 -0.22 0.05 -0.54 0.00 0.00 0.00 174.94 174.15 1x50 s LYS 46 N 1.17 2.64 0.00 2.79 1.02 -0.42 -1.63 119.74 125.32 1x50 s LYS 46 Ca -0.03 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1x50 s LYS 46 Cb -0.20 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1x50 s LYS 46 CO -0.03 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1x50 n GLY 47 N 4.74 5.25 3.41 -3.33 0.00 -1.22 -1.14 105.19 112.90 1x50 n GLY 47 Ca -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.05 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 1.27 -0.87 -0.21 1.61 6.14 0.18 -3.37 117.35 122.10 1x50 s TYR 48 Ca 0.00 1.38 -0.29 0.00 0.64 0.00 0.00 57.07 58.80 1x50 s TYR 48 Cb 0.00 0.48 -0.03 0.00 0.42 0.00 0.00 41.96 42.83 1x50 s TYR 48 CO 0.00 -0.44 1.59 0.08 0.64 0.00 0.00 175.55 177.42 1x50 s VAL 49 N 2.62 3.73 0.75 3.14 1.01 -1.20 -2.02 120.40 128.43 1x50 s VAL 49 Ca -0.01 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 1x50 s VAL 49 Cb -0.08 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1x50 s VAL 49 CO -0.17 -0.28 1.10 -2.16 0.00 0.00 0.00 175.10 173.58 1x50 s PRO 50 N 4.57 2.35 0.44 2.72 0.04 -1.26 -0.11 135.00 143.74 1x50 s PRO 50 Ca 0.70 1.21 0.23 0.00 0.04 0.00 0.00 61.00 63.18 1x50 s PRO 50 Cb -0.25 -1.91 0.97 0.00 0.04 0.00 0.00 34.50 33.36 1x50 s PRO 50 CO 0.28 -1.57 1.86 -1.00 0.04 0.00 0.00 177.00 176.61 1x50 h PRO 51 N -0.91 0.00 -0.63 0.56 0.13 -1.93 -2.68 132.00 126.53 1x50 h PRO 51 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x50 h PRO 51 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x50 h PRO 51 CO 0.52 0.25 0.00 0.25 -0.23 0.00 0.00 178.00 178.79 1x50 n THR 52 N -3.54 1.95 -3.85 1.56 -2.24 -1.26 -4.89 114.28 102.01 1x50 n THR 52 Ca -0.01 -1.24 -0.36 0.00 -2.27 0.00 0.00 64.05 60.18 1x50 n THR 52 Cb 0.40 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.92 1.67 0.04 3.38 0.00 -1.01 -5.01 107.32 105.47 1x50 s GLY 53 Ca 0.51 -1.19 -0.32 0.00 0.00 0.00 0.00 44.72 43.72 1x50 s GLY 53 CO 0.23 0.48 1.40 0.50 0.00 0.00 0.00 173.10 175.72 1x50 h LYS 54 N 8.16 -1.03 -1.44 2.90 1.57 -1.87 -3.45 116.57 121.42 1x50 h LYS 54 Ca -0.39 0.07 0.28 0.00 -1.87 0.00 0.00 60.65 58.73 1x50 h LYS 54 Cb 1.16 0.23 -0.17 0.00 0.08 0.00 0.00 32.23 33.53 1x50 h LYS 54 CO 0.59 -0.67 0.83 -1.54 -0.57 0.00 0.00 179.45 178.09 1x50 s SER 55 N -4.31 -0.11 0.27 0.86 1.04 -1.26 -4.38 113.70 105.81 1x50 s SER 55 Ca -0.17 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1x50 s SER 55 Cb 0.02 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1x50 s SER 55 CO 0.54 -0.23 0.08 2.22 0.98 0.00 0.00 173.24 176.83 1x50 n PHE 56 N -0.18 -0.02 -3.67 5.02 -1.74 -1.25 -1.18 117.46 114.45 1x50 n PHE 56 Ca -0.01 -1.26 -0.12 0.00 -0.56 0.00 0.00 57.45 55.50 1x50 n PHE 56 Cb 0.59 -0.20 -0.08 0.00 1.52 0.00 0.00 39.48 41.31 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 -2.43 -1.52 -0.35 1.98 0.00 0.07 -3.69 121.76 115.81 1x50 s ALA 57 Ca 0.06 1.82 0.02 0.00 0.00 0.00 0.00 51.96 53.86 1x50 s ALA 57 Cb -0.00 -1.06 0.10 0.00 0.00 0.00 0.00 23.12 22.15 1x50 s ALA 57 CO 0.04 -0.30 0.08 0.42 0.00 0.00 0.00 175.76 176.00 1x50 s ILE 58 N 0.64 2.55 -0.04 0.00 1.09 0.70 -1.97 121.20 124.16 1x50 s ILE 58 Ca -0.03 -2.21 -0.04 0.00 -1.10 0.00 0.00 60.65 57.27 1x50 s ILE 58 Cb -0.05 -2.81 -0.04 0.00 -1.06 0.00 0.00 42.46 38.50 1x50 s ILE 58 CO -0.04 -0.58 0.17 0.20 -0.10 0.00 0.00 174.94 174.59 1x50 s ASN 59 N 1.15 6.39 -0.44 3.58 0.01 -0.97 -2.20 114.94 122.46 1x50 s ASN 59 Ca 0.09 0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 52.63 1x50 s ASN 59 Cb -0.20 -2.03 0.12 0.00 0.41 0.00 0.00 41.25 39.55 1x50 s ASN 59 CO -0.07 0.31 0.21 -0.36 -1.51 0.00 0.00 177.10 175.69 1x50 s PHE 60 N -1.23 3.57 0.45 2.20 0.40 0.55 -2.04 117.98 121.89 1x50 s PHE 60 Ca 0.23 -2.65 0.04 0.00 -0.60 0.00 0.00 56.93 53.95 1x50 s PHE 60 Cb -0.12 -3.13 0.01 0.00 0.51 0.00 0.00 43.02 40.29 1x50 s PHE 60 CO 0.14 -0.93 0.64 0.21 0.70 0.00 0.00 175.22 175.98 1x50 s LYS 61 N 0.78 2.85 -0.26 0.44 2.20 0.15 -1.07 119.74 124.84 1x50 s LYS 61 Ca 0.11 -0.86 -0.10 0.00 -0.36 0.00 0.00 55.97 54.76 1x50 s LYS 61 Cb -0.22 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 1x50 s LYS 61 CO -0.05 -0.35 0.16 0.08 -0.36 0.00 0.00 175.35 174.84 1x50 s VAL 62 N -2.50 5.24 0.26 4.02 1.01 -0.71 -1.26 120.40 126.46 1x50 s VAL 62 Ca 0.52 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1x50 s VAL 62 Cb -0.10 -3.46 0.26 0.00 0.00 0.00 0.00 36.38 33.07 1x50 s VAL 62 CO 0.36 0.31 1.90 1.23 0.00 0.00 0.00 175.10 178.89 1x50 h GLY 63 N 7.93 1.45 0.00 4.51 0.00 -1.76 0.10 103.07 115.30 1x50 h GLY 63 Ca -0.37 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1x50 h GLY 63 CO 0.60 0.42 0.00 -1.26 0.00 0.00 0.00 176.54 176.30 1x50 n SER 64 N -4.46 0.00 0.00 0.19 2.88 -1.26 -4.63 113.62 106.34 1x50 n SER 64 Ca 0.13 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1x50 n SER 64 Cb 0.10 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 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 -1.89 0.00 0.00 -3.46 2.88 -1.23 -5.05 113.62 104.87 1x50 n SER 65 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1x50 n SER 65 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 2.22 0.43 3.47 0.46 0.00 0.02 -4.95 105.19 106.83 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 -0.74 3.96 -0.26 1.61 1.01 -1.26 -4.69 116.67 116.30 1x50 s ASP 67 Ca 0.00 -0.26 -0.22 0.00 0.71 0.00 0.00 52.55 52.78 1x50 s ASP 67 Cb 0.00 -0.78 -0.01 0.00 1.01 0.00 0.00 42.92 43.14 1x50 s ASP 67 CO 0.00 0.32 0.70 -0.63 0.21 0.00 0.00 175.17 175.77 1x50 s ILE 68 N -0.79 4.92 -0.07 0.77 1.01 0.15 -1.73 121.20 125.46 1x50 s ILE 68 Ca 0.13 1.24 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1x50 s ILE 68 Cb -0.11 -4.01 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 1x50 s ILE 68 CO 0.02 -0.04 0.56 0.00 0.00 0.00 0.00 174.94 175.48 1x50 n ALA 69 N 5.86 1.28 -3.62 9.38 0.00 -0.23 -1.25 120.51 131.92 1x50 n ALA 69 Ca 0.02 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.59 1x50 n ALA 69 Cb 0.48 -0.79 -0.16 0.00 0.00 0.00 0.00 19.45 18.99 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 -6.43 1.25 -0.36 0.00 2.96 -1.25 -4.50 118.68 110.36 1x50 s LEU 70 Ca -0.11 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1x50 s LEU 70 Cb 0.07 -0.17 0.12 0.00 0.50 0.00 0.00 46.19 46.72 1x50 s LEU 70 CO 0.81 -0.09 0.18 -2.28 -1.32 0.00 0.00 176.35 173.64 1x50 s HIS 71 N 0.89 1.26 -0.15 5.38 5.65 0.67 -0.33 115.29 128.67 1x50 s HIS 71 Ca -0.09 -1.77 -0.11 0.00 0.25 0.00 0.00 55.06 53.34 1x50 s HIS 71 Cb -0.12 -1.39 -0.05 0.00 -1.18 0.00 0.00 32.58 29.84 1x50 s HIS 71 CO -0.02 -0.83 0.21 0.42 -0.65 0.00 0.00 174.74 173.88 1x50 s ILE 72 N 1.15 5.36 -0.21 0.89 1.01 -0.93 -0.51 121.20 127.96 1x50 s ILE 72 Ca 0.15 0.38 -0.04 0.00 0.00 0.00 0.00 60.65 61.13 1x50 s ILE 72 Cb -0.21 -3.53 0.08 0.00 0.01 0.00 0.00 42.46 38.81 1x50 s ILE 72 CO -0.11 0.48 0.12 0.21 0.00 0.00 0.00 174.94 175.64 1x50 s ASN 73 N -0.04 2.55 0.65 3.58 3.04 -0.62 -0.21 114.94 123.88 1x50 s ASN 73 Ca 0.14 -0.76 -0.15 0.00 0.04 0.00 0.00 52.86 52.12 1x50 s ASN 73 Cb -0.12 -0.18 -0.00 0.00 -1.54 0.00 0.00 41.25 39.40 1x50 s ASN 73 CO 0.03 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.66 1x50 s PRO 74 N 2.16 2.84 -0.36 0.43 0.04 -1.24 -2.27 135.00 136.60 1x50 s PRO 74 Ca 0.05 1.41 0.00 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 -0.18 -1.22 0.17 1.03 0.04 0.00 0.00 177.00 176.84 1x50 s ARG 75 N -4.03 0.86 0.59 4.56 0.52 -1.09 -4.44 118.95 115.92 1x50 s ARG 75 Ca 0.67 -1.43 0.30 0.00 -0.52 0.00 0.00 55.73 54.76 1x50 s ARG 75 Cb -0.21 -1.95 1.32 0.00 0.52 0.00 0.00 34.95 34.63 1x50 s ARG 75 CO 0.40 -1.09 1.68 0.52 0.02 0.00 0.00 175.30 176.84 1x50 h MET 76 N 7.43 0.00 0.00 3.54 2.86 -1.83 0.90 114.93 127.82 1x50 h MET 76 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1x50 h MET 76 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1x50 h MET 76 CO 0.44 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.82 1x50 n GLY 77 N -1.61 -1.41 1.16 8.32 0.00 -1.26 -3.80 105.19 106.58 1x50 n GLY 77 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1x50 n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x50 n ASN 78 N 0.00 3.25 -3.86 1.61 3.02 -1.22 -4.88 115.26 113.18 1x50 n ASN 78 Ca 0.00 -2.44 -0.29 0.00 -0.03 0.00 0.00 54.58 51.82 1x50 n ASN 78 Cb 0.00 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 38.62 1x50 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 79 N 0.32 -0.50 3.36 7.41 0.00 0.30 -4.95 105.19 111.12 1x50 n GLY 79 Ca 0.13 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.29 3.86 -0.41 2.61 -4.23 -1.17 -4.57 115.64 108.46 1x50 s THR 80 Ca 0.65 -0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 1x50 s THR 80 Cb -0.32 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.66 1x50 s THR 80 CO 0.81 0.26 0.32 -0.69 -0.54 0.00 0.00 174.62 174.78 1x50 s VAL 81 N 1.52 5.23 0.29 2.29 1.01 -1.26 -2.67 120.40 126.81 1x50 s VAL 81 Ca 0.05 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 1x50 s VAL 81 Cb -0.16 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1x50 s VAL 81 CO 0.01 -0.31 0.84 -0.69 0.00 0.00 0.00 175.10 174.95 1x50 s VAL 82 N 1.77 4.41 -0.11 2.92 1.01 -0.96 -4.28 120.40 125.15 1x50 s VAL 82 Ca 0.06 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1x50 s VAL 82 Cb -0.18 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1x50 s VAL 82 CO 0.11 0.09 -0.14 -0.13 0.00 0.00 0.00 175.10 175.03 1x50 s ARG 83 N -2.21 2.12 0.34 2.72 3.00 -0.28 -1.58 118.95 123.05 1x50 s ARG 83 Ca 0.49 -0.51 0.05 0.00 0.00 0.00 0.00 55.73 55.75 1x50 s ARG 83 Cb -0.16 -1.86 -0.03 0.00 0.00 0.00 0.00 34.95 32.90 1x50 s ARG 83 CO 0.21 -0.11 0.19 -0.80 0.00 0.00 0.00 175.30 174.79 1x50 s ASN 84 N 1.14 1.95 -0.30 0.23 -0.87 0.33 -1.30 114.94 116.12 1x50 s ASN 84 Ca -0.04 -1.66 0.02 0.00 -1.57 0.00 0.00 52.86 49.61 1x50 s ASN 84 Cb -0.14 0.49 0.19 0.00 -0.02 0.00 0.00 41.25 41.77 1x50 s ASN 84 CO -0.04 -0.96 0.62 -0.94 -2.57 0.00 0.00 177.10 173.21 1x50 s SER 85 N -3.44 -1.46 -0.22 -1.22 1.04 -1.26 0.24 113.70 107.38 1x50 s SER 85 Ca 0.34 0.53 -0.29 0.00 0.48 0.00 0.00 55.95 57.00 1x50 s SER 85 Cb 0.03 2.07 0.00 0.00 0.10 0.00 0.00 66.02 68.22 1x50 s SER 85 CO 0.20 -0.27 1.15 -0.22 0.98 0.00 0.00 173.24 175.08 1x50 s LEU 86 N 2.85 4.10 0.33 2.42 2.96 -0.38 -0.88 118.68 130.08 1x50 s LEU 86 Ca 0.15 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 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 -0.76 0.50 -0.76 -1.32 0.00 0.00 176.35 173.78 1x50 s LEU 87 N 3.45 4.04 -0.82 -0.68 1.43 0.68 0.35 118.68 127.12 1x50 s LEU 87 Ca 0.49 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 1x50 s LEU 87 Cb -0.18 -3.07 -0.19 0.00 0.03 0.00 0.00 46.19 42.78 1x50 s LEU 87 CO 0.12 -0.31 2.33 -0.46 0.23 0.00 0.00 176.35 178.26 1x50 n ASN 88 N -1.70 0.33 0.00 2.29 2.04 -1.26 0.24 115.26 117.20 1x50 n ASN 88 Ca -0.04 0.24 0.00 0.00 -0.44 0.00 0.00 54.58 54.33 1x50 n ASN 88 Cb 0.57 -0.82 0.00 0.00 -2.53 0.00 0.00 39.78 37.00 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 5.97 0.54 3.67 4.83 0.00 -1.26 -4.90 105.19 114.04 1x50 n GLY 89 Ca 0.57 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 -2.38 4.10 0.20 1.61 0.15 0.66 -5.16 113.70 112.87 1x50 s SER 90 Ca 0.00 -1.25 0.06 0.00 0.70 0.00 0.00 55.95 55.46 1x50 s SER 90 Cb 0.00 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 1x50 s SER 90 CO 0.00 -0.49 -0.11 0.26 1.20 0.00 0.00 173.24 174.10 1x50 s TRP 91 N -2.67 1.58 0.00 3.44 0.52 -1.26 0.25 118.94 120.79 1x50 s TRP 91 Ca 0.37 -0.68 0.00 0.00 0.02 0.00 0.00 56.10 55.81 1x50 s TRP 91 Cb 0.08 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.60 1x50 s TRP 91 CO 0.20 0.22 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1x50 n GLY 92 N -0.35 0.76 3.81 0.98 0.00 -0.06 -4.73 105.19 105.61 1x50 n GLY 92 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1x50 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 93 N -1.00 -0.01 -0.24 1.61 0.01 -1.26 -4.96 113.70 107.85 1x50 s SER 93 Ca 0.00 -1.11 -0.09 0.00 1.31 0.00 0.00 55.95 56.07 1x50 s SER 93 Cb 0.00 0.84 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 1x50 s SER 93 CO 0.00 -1.66 0.11 -1.61 0.41 0.00 0.00 173.24 170.49 1x50 s GLU 94 N -2.44 3.88 -0.19 12.44 2.02 -1.26 -3.90 118.70 129.25 1x50 s GLU 94 Ca 0.15 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1x50 s GLU 94 Cb -0.05 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.81 1x50 s GLU 94 CO 0.11 -0.02 -0.14 -1.21 0.02 0.00 0.00 175.26 174.03 1x50 s GLU 95 N 1.21 2.36 -0.18 1.61 8.01 -0.42 -4.90 118.70 126.38 1x50 s GLU 95 Ca 0.06 -0.81 0.00 0.00 0.01 0.00 0.00 54.97 54.23 1x50 s GLU 95 Cb -0.14 -2.41 0.01 0.00 -4.31 0.00 0.00 34.13 27.28 1x50 s GLU 95 CO 0.05 -0.34 -0.18 0.15 0.01 0.00 0.00 175.26 174.95 1x50 s LYS 96 N 1.37 3.05 -0.30 1.61 1.02 -1.26 -1.13 119.74 124.10 1x50 s LYS 96 Ca 0.01 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 1x50 s LYS 96 Cb -0.15 -2.62 0.18 0.00 -0.52 0.00 0.00 37.83 34.72 1x50 s LYS 96 CO -0.10 -0.19 0.99 0.21 -0.92 0.00 0.00 175.35 175.34 1x50 s LYS 97 N 1.26 0.23 0.02 1.68 2.20 -1.26 -5.07 119.74 118.80 1x50 s LYS 97 Ca 0.04 0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.91 1x50 s LYS 97 Cb -0.13 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.40 1x50 s LYS 97 CO -0.10 -0.29 0.23 -1.50 -0.36 0.00 0.00 175.35 173.33 1x50 s ILE 98 N 2.94 0.08 -0.14 5.43 2.07 -1.26 -4.70 121.20 125.62 1x50 s ILE 98 Ca 0.06 -0.69 -0.21 0.00 -1.41 0.00 0.00 60.65 58.40 1x50 s ILE 98 Cb -0.09 -0.72 -0.25 0.00 0.13 0.00 0.00 42.46 41.53 1x50 s ILE 98 CO -0.14 -0.38 0.52 0.00 -1.91 0.00 0.00 174.94 173.03 1x50 h THR 99 N 3.72 1.21 -3.03 4.00 1.03 -1.84 -3.48 112.91 114.52 1x50 h THR 99 Ca -0.31 -2.33 -0.18 0.00 -0.01 0.00 0.00 66.41 63.58 1x50 h THR 99 Cb 1.19 2.75 -0.28 0.00 -1.07 0.00 0.00 68.15 70.74 1x50 h THR 99 CO 0.44 0.56 -0.45 -1.38 -0.01 0.00 0.00 175.52 174.68 1x50 s HIS 100 N -2.38 -0.33 -0.55 0.00 0.00 -1.26 -5.12 115.29 105.65 1x50 s HIS 100 Ca -0.22 0.78 -0.12 0.00 -3.00 0.00 0.00 55.06 52.50 1x50 s HIS 100 Cb 0.03 0.08 0.14 0.00 -4.00 0.00 0.00 32.58 28.83 1x50 s HIS 100 CO 0.70 -0.21 0.46 1.21 -1.00 0.00 0.00 174.74 175.91 1x50 s ASN 101 N 0.88 6.00 0.10 7.38 2.47 -1.26 -4.92 114.94 125.59 1x50 s ASN 101 Ca -0.06 -2.02 -0.15 0.00 0.42 0.00 0.00 52.86 51.05 1x50 s ASN 101 Cb -0.07 -2.10 -0.08 0.00 -1.45 0.00 0.00 41.25 37.54 1x50 s ASN 101 CO -0.06 -0.72 1.42 1.55 -3.72 0.00 0.00 177.10 175.57 1x50 h PRO 102 N 8.45 0.71 -4.20 0.43 0.13 -1.97 -3.45 132.00 132.10 1x50 h PRO 102 Ca -0.19 -0.37 -0.54 0.00 -0.87 0.00 0.00 66.00 64.02 1x50 h PRO 102 Cb 1.07 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1x50 h PRO 102 CO 0.91 0.99 0.90 1.19 -0.23 0.00 0.00 178.00 181.76 1x50 n PHE 103 N -4.26 0.84 -4.34 1.56 3.72 -1.26 -4.90 117.46 108.83 1x50 n PHE 103 Ca -0.04 0.55 -0.19 0.00 -0.05 0.00 0.00 57.45 57.72 1x50 n PHE 103 Cb 0.47 -1.60 -0.15 0.00 -0.94 0.00 0.00 39.48 37.26 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 4.08 0.47 -0.68 1.37 0.00 -1.26 -4.68 107.32 106.62 1x50 s GLY 104 Ca 0.83 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.99 1x50 s GLY 104 CO 0.47 -0.10 1.88 2.56 0.00 0.00 0.00 173.10 177.91 1x50 s PRO 105 N 0.13 2.61 0.00 2.90 0.04 -1.26 -2.12 135.00 137.29 1x50 s PRO 105 Ca -0.02 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1x50 s PRO 105 Cb -0.07 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1x50 s PRO 105 CO 0.00 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1x50 n GLY 106 N 5.96 1.10 3.08 0.56 0.00 0.84 -4.59 105.19 112.13 1x50 n GLY 106 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 0.60 1.04 1.61 -2.07 -0.90 -4.97 119.66 114.97 1x50 s GLN 107 Ca 0.00 -0.76 -0.12 0.00 -1.82 0.00 0.00 55.36 52.66 1x50 s GLN 107 Cb 0.00 -0.44 0.21 0.00 -1.09 0.00 0.00 33.01 31.69 1x50 s GLN 107 CO 0.00 0.09 1.07 -0.06 -1.32 0.00 0.00 175.29 175.07 1x50 s PHE 108 N -1.24 1.86 -0.29 9.60 0.40 -1.26 -3.27 117.98 123.77 1x50 s PHE 108 Ca -0.07 1.13 -0.13 0.00 -0.60 0.00 0.00 56.93 57.25 1x50 s PHE 108 Cb -0.09 -3.20 0.11 0.00 0.51 0.00 0.00 43.02 40.35 1x50 s PHE 108 CO 0.01 -3.16 0.69 -0.59 0.70 0.00 0.00 175.22 172.88 1x50 s PHE 109 N -2.78 -1.15 -0.42 0.36 -0.71 -1.22 -4.76 117.98 107.30 1x50 s PHE 109 Ca 0.66 2.15 -0.14 0.00 -1.04 0.00 0.00 56.93 58.57 1x50 s PHE 109 Cb -0.21 0.69 0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1x50 s PHE 109 CO 0.60 -0.57 0.30 0.34 -1.34 0.00 0.00 175.22 174.54 1x50 s ASP 110 N 2.18 5.98 -0.07 1.98 2.15 -1.26 -3.37 116.67 124.26 1x50 s ASP 110 Ca -0.08 -1.09 0.02 0.00 0.43 0.00 0.00 52.55 51.82 1x50 s ASP 110 Cb -0.08 -2.12 -0.03 0.00 -0.30 0.00 0.00 42.92 40.40 1x50 s ASP 110 CO -0.19 -0.49 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.00 1x50 s LEU 111 N 1.61 3.00 -0.15 -1.34 1.98 -0.64 -1.93 118.68 121.21 1x50 s LEU 111 Ca 0.04 -0.10 -0.04 0.00 -2.89 0.00 0.00 54.13 51.14 1x50 s LEU 111 Cb -0.21 -1.64 0.07 0.00 0.66 0.00 0.00 46.19 45.07 1x50 s LEU 111 CO 0.08 0.34 0.21 -0.44 -1.89 0.00 0.00 176.35 174.64 1x50 s SER 112 N -0.67 0.96 -0.15 3.68 0.01 -0.40 0.47 113.70 117.59 1x50 s SER 112 Ca 0.10 0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.38 1x50 s SER 112 Cb -0.11 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 1x50 s SER 112 CO 0.01 -0.28 0.25 -0.63 0.41 0.00 0.00 173.24 173.00 1x50 s ILE 113 N 2.33 5.33 -0.15 1.44 1.09 0.21 -0.63 121.20 130.82 1x50 s ILE 113 Ca 0.04 0.45 -0.06 0.00 -1.10 0.00 0.00 60.65 59.98 1x50 s ILE 113 Cb -0.14 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.65 1x50 s ILE 113 CO -0.09 0.44 0.05 -0.13 -0.10 0.00 0.00 174.94 175.11 1x50 s ARG 114 N 0.14 3.66 -0.26 2.79 0.52 -0.46 0.54 118.95 125.89 1x50 s ARG 114 Ca 0.15 -0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 54.88 1x50 s ARG 114 Cb -0.13 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1x50 s ARG 114 CO 0.03 0.43 0.26 0.00 0.02 0.00 0.00 175.30 176.04 1x50 n GLY 116 N 4.65 6.47 0.07 0.00 0.00 -1.24 -4.20 105.19 110.94 1x50 n GLY 116 Ca -0.12 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 -0.09 0.99 4.77 -1.26 -4.60 117.00 116.81 1x50 n LEU 117 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1x50 n LEU 117 Cb 0.00 0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 1x50 n LEU 117 CO 0.00 0.33 -1.21 -0.67 -1.33 0.00 0.00 177.39 174.52 1x50 n ASP 118 N -2.51 2.00 -3.60 -1.43 -0.08 -1.26 -4.99 116.55 104.68 1x50 n ASP 118 Ca -0.22 -0.05 -0.05 0.00 -1.51 0.00 0.00 54.79 52.96 1x50 n ASP 118 Cb 0.93 -0.52 -0.02 0.00 2.34 0.00 0.00 41.12 43.85 1x50 n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x50 s ARG 119 N -2.53 0.71 0.37 -0.67 1.70 -1.26 -4.00 118.95 113.27 1x50 s ARG 119 Ca -0.31 -0.32 -0.09 0.00 -0.47 0.00 0.00 55.73 54.53 1x50 s ARG 119 Cb 0.08 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 1x50 s ARG 119 CO 0.65 -0.32 0.70 -0.06 -1.08 0.00 0.00 175.30 175.18 1x50 s PHE 120 N -2.88 3.47 -0.32 5.89 0.40 -0.83 -3.62 117.98 120.09 1x50 s PHE 120 Ca 0.09 0.91 0.01 0.00 -0.60 0.00 0.00 56.93 57.34 1x50 s PHE 120 Cb -0.00 -2.33 0.10 0.00 0.51 0.00 0.00 43.02 41.30 1x50 s PHE 120 CO -0.05 -0.01 0.08 0.15 0.70 0.00 0.00 175.22 176.09 1x50 s LYS 121 N -3.76 1.04 -0.03 0.44 1.02 -0.67 -2.81 119.74 114.97 1x50 s LYS 121 Ca 0.49 -1.40 -0.22 0.00 0.02 0.00 0.00 55.97 54.85 1x50 s LYS 121 Cb -0.10 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 1x50 s LYS 121 CO 0.31 -0.96 0.66 0.08 -0.92 0.00 0.00 175.35 174.52 1x50 s VAL 122 N 1.32 4.96 0.07 3.17 1.01 -0.75 -1.35 120.40 128.82 1x50 s VAL 122 Ca 0.10 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.53 1x50 s VAL 122 Cb -0.18 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1x50 s VAL 122 CO -0.18 0.33 -0.22 -0.31 0.00 0.00 0.00 175.10 174.72 1x50 s TYR 123 N 0.34 1.91 -0.17 5.22 1.51 0.20 -0.64 117.35 125.72 1x50 s TYR 123 Ca 0.35 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1x50 s TYR 123 Cb -0.18 -1.11 0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1x50 s TYR 123 CO 0.18 0.15 0.03 0.00 -1.11 0.00 0.00 175.55 174.79 1x50 s ALA 124 N -0.92 0.95 -1.44 3.71 0.00 0.54 -1.28 121.76 123.31 1x50 s ALA 124 Ca 0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1x50 s ALA 124 Cb -0.09 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.96 1x50 s ALA 124 CO 0.03 -1.04 0.55 0.09 0.00 0.00 0.00 175.76 175.39 1x50 n ASN 125 N 5.07 -5.15 -0.70 0.00 3.02 -0.81 -1.84 115.26 114.84 1x50 n ASN 125 Ca -0.09 -0.31 -0.02 0.00 -0.03 0.00 0.00 54.58 54.13 1x50 n ASN 125 Cb 0.48 -4.20 0.01 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.37 0.83 3.02 7.41 0.00 -1.26 -5.06 105.19 108.75 1x50 n GLY 126 Ca -0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.05 0.18 -0.52 1.61 -0.21 -0.77 -5.09 119.66 109.81 1x50 s GLN 127 Ca 0.04 0.52 -0.26 0.00 0.02 0.00 0.00 55.36 55.68 1x50 s GLN 127 Cb -0.02 -0.13 -0.07 0.00 1.00 0.00 0.00 33.01 33.79 1x50 s GLN 127 CO 0.05 -0.18 2.38 -1.58 -2.12 0.00 0.00 175.29 173.84 1x50 s HIS 128 N 1.35 1.11 0.00 0.91 5.65 -1.26 -0.34 115.29 122.71 1x50 s HIS 128 Ca -0.08 1.56 -0.01 0.00 0.25 0.00 0.00 55.06 56.77 1x50 s HIS 128 Cb -0.11 -3.60 -0.01 0.00 -1.18 0.00 0.00 32.58 27.69 1x50 s HIS 128 CO -0.08 -2.45 0.68 1.25 -0.65 0.00 0.00 174.74 173.49 1x50 h LEU 129 N 19.66 -0.03 -7.86 8.88 5.85 -1.20 -3.44 115.31 137.17 1x50 h LEU 129 Ca -0.22 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.61 1x50 h LEU 129 Cb 1.24 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1x50 h LEU 129 CO 1.15 -0.01 0.36 0.72 -0.34 0.00 0.00 178.44 180.32 1x50 s PHE 130 N -2.41 -0.12 0.09 1.25 -0.12 -1.21 -3.44 117.98 112.01 1x50 s PHE 130 Ca -0.01 -0.29 0.08 0.00 -0.05 0.00 0.00 56.93 56.66 1x50 s PHE 130 Cb 0.00 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1x50 s PHE 130 CO 0.02 -1.08 -0.19 0.16 -0.05 0.00 0.00 175.22 174.08 1x50 s ASP 131 N -2.98 3.81 -0.30 1.98 -4.77 -1.26 -1.81 116.67 111.34 1x50 s ASP 131 Ca 0.13 -0.52 0.00 0.00 -3.30 0.00 0.00 52.55 48.86 1x50 s ASP 131 Cb -0.04 -0.55 0.07 0.00 -1.09 0.00 0.00 42.92 41.31 1x50 s ASP 131 CO 0.05 0.21 -0.01 0.12 0.70 0.00 0.00 175.17 176.24 1x50 s PHE 132 N -1.05 3.37 0.22 2.11 5.36 -1.12 -4.94 117.98 121.92 1x50 s PHE 132 Ca 0.16 -2.23 -0.31 0.00 -0.96 0.00 0.00 56.93 53.60 1x50 s PHE 132 Cb -0.10 -2.27 -0.10 0.00 -0.34 0.00 0.00 43.02 40.20 1x50 s PHE 132 CO 0.08 -0.87 1.49 0.00 -1.46 0.00 0.00 175.22 174.46 1x50 s ALA 133 N 1.14 3.68 -0.25 11.12 0.00 -1.26 -1.96 121.76 134.23 1x50 s ALA 133 Ca -0.03 1.35 -0.28 0.00 0.00 0.00 0.00 51.96 53.00 1x50 s ALA 133 Cb -0.20 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1x50 s ALA 133 CO -0.04 -0.76 2.21 -1.01 0.00 0.00 0.00 175.76 176.16 1x50 s HIS 134 N 0.40 1.20 -0.21 0.00 0.09 -1.26 -4.83 115.29 110.67 1x50 s HIS 134 Ca 0.63 0.64 -0.19 0.00 -0.00 0.00 0.00 55.06 56.15 1x50 s HIS 134 Cb -0.43 -3.91 -0.16 0.00 -0.00 0.00 0.00 32.58 28.09 1x50 s HIS 134 CO 0.39 -3.86 0.07 0.54 -0.00 0.00 0.00 174.74 171.89 1x50 n ARG 135 N 8.77 0.55 -3.16 1.40 1.74 -1.26 -4.81 116.66 119.90 1x50 n ARG 135 Ca 0.30 0.52 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 1x50 n ARG 135 Cb 0.46 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 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 -7.86 4.64 0.42 0.55 2.96 -1.26 -4.93 118.68 113.21 1x50 s LEU 136 Ca -0.29 -0.50 0.20 0.00 -0.22 0.00 0.00 54.13 53.33 1x50 s LEU 136 Cb 0.07 -2.61 1.15 0.00 0.50 0.00 0.00 46.19 45.30 1x50 s LEU 136 CO 0.53 -0.76 1.80 0.77 -1.32 0.00 0.00 176.35 177.37 1x50 h SER 137 N 8.87 0.38 -0.11 3.68 4.64 -2.01 0.47 113.55 129.46 1x50 h SER 137 Ca -0.26 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1x50 h SER 137 Cb 1.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 1x50 h SER 137 CO 0.88 0.10 0.10 0.00 -0.87 0.00 0.00 176.83 177.04 1x50 n ALA 138 N -2.52 4.18 -0.22 5.18 0.00 -1.26 -4.40 120.51 121.47 1x50 n ALA 138 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1x50 n ALA 138 Cb 0.87 -1.08 0.22 0.00 0.00 0.00 0.00 19.45 19.46 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 1.05 0.96 -0.60 0.00 -0.00 -1.28 -1.83 116.94 115.24 1x50 h PHE 139 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.97 58.16 1x50 h PHE 139 Cb 0.99 -0.32 -0.03 0.00 -0.00 0.00 0.00 35.95 36.59 1x50 h PHE 139 CO 0.35 0.64 0.41 -0.56 -0.00 0.00 0.00 178.31 179.15 1x50 h GLN 140 N 1.01 0.28 -0.67 6.09 3.07 -1.77 -0.29 115.11 122.83 1x50 h GLN 140 Ca 0.27 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.96 1x50 h GLN 140 Cb -0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.42 1x50 h GLN 140 CO -0.05 0.18 0.31 0.00 0.09 0.00 0.00 178.83 179.36 1x50 h ARG 141 N 0.29 0.96 -5.57 0.06 3.08 -1.65 -3.12 114.38 108.43 1x50 h ARG 141 Ca 0.28 -0.13 -0.57 0.00 0.07 0.00 0.00 59.98 59.63 1x50 h ARG 141 Cb 0.73 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1x50 h ARG 141 CO -0.06 0.75 1.58 0.28 -1.07 0.00 0.00 179.97 181.45 1x50 n VAL 142 N -4.33 0.04 -2.12 2.04 0.31 -0.12 -4.36 118.33 109.80 1x50 n VAL 142 Ca 0.06 -0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1x50 n VAL 142 Cb 0.14 -1.51 0.09 0.00 -0.91 0.00 0.00 33.84 31.65 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 11.54 2.45 -3.51 4.52 9.92 -1.18 -1.88 116.55 138.40 1x50 n ASP 143 Ca 0.49 -3.15 -0.15 0.00 -0.53 0.00 0.00 54.79 51.45 1x50 n ASP 143 Cb 0.23 -0.42 -0.12 0.00 -0.64 0.00 0.00 41.12 40.17 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 -3.06 -0.41 -0.35 -3.53 2.01 -0.38 -2.03 115.64 107.90 1x50 s THR 144 Ca 0.39 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1x50 s THR 144 Cb 0.38 -0.64 0.06 0.00 0.01 0.00 0.00 72.50 72.31 1x50 s THR 144 CO -0.05 -0.10 0.10 -0.22 -0.69 0.00 0.00 174.62 173.66 1x50 s LEU 145 N 2.40 4.45 0.16 4.42 2.96 -0.40 -0.67 118.68 131.99 1x50 s LEU 145 Ca 0.06 -1.44 0.06 0.00 -0.22 0.00 0.00 54.13 52.60 1x50 s LEU 145 Cb -0.15 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1x50 s LEU 145 CO -0.12 -0.37 0.03 -1.83 -1.32 0.00 0.00 176.35 172.75 1x50 s GLU 146 N 1.28 2.55 -0.20 1.98 1.03 -0.87 0.02 118.70 124.50 1x50 s GLU 146 Ca -0.00 -1.00 -0.05 0.00 0.03 0.00 0.00 54.97 53.95 1x50 s GLU 146 Cb -0.21 -2.46 0.07 0.00 -0.80 0.00 0.00 34.13 30.74 1x50 s GLU 146 CO -0.00 0.48 0.10 0.42 -1.33 0.00 0.00 175.26 174.92 1x50 s ILE 147 N -1.67 -0.09 0.43 1.83 1.01 -0.62 -2.30 121.20 119.80 1x50 s ILE 147 Ca 0.28 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1x50 s ILE 147 Cb -0.10 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 1x50 s ILE 147 CO 0.20 -0.40 0.14 0.00 0.00 0.00 0.00 174.94 174.87 1x50 s GLN 148 N 2.13 2.16 0.00 2.79 0.00 -0.83 -1.77 119.66 124.14 1x50 s GLN 148 Ca 0.04 -1.98 0.00 0.00 -0.00 0.00 0.00 55.36 53.42 1x50 s GLN 148 Cb -0.16 -1.86 0.00 0.00 0.00 0.00 0.00 33.01 30.99 1x50 s GLN 148 CO -0.17 -0.16 0.00 0.41 0.00 0.00 0.00 175.29 175.37 1x50 n GLY 149 N -1.22 0.26 3.07 2.60 0.00 -1.26 -0.75 105.19 107.89 1x50 n GLY 149 Ca -0.04 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1x50 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 150 N -4.00 5.04 -0.12 1.61 1.11 -0.33 -4.92 116.67 115.06 1x50 s ASP 150 Ca 0.00 -2.63 -0.15 0.00 0.18 0.00 0.00 52.55 49.95 1x50 s ASP 150 Cb 0.00 -1.79 0.04 0.00 1.07 0.00 0.00 42.92 42.24 1x50 s ASP 150 CO 0.00 -0.39 0.40 0.54 1.18 0.00 0.00 175.17 176.90 1x50 s VAL 151 N 0.26 0.01 -0.67 -1.27 0.11 -1.26 -3.85 120.40 113.73 1x50 s VAL 151 Ca 0.14 -0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.98 1x50 s VAL 151 Cb -0.22 -0.59 0.17 0.00 -1.53 0.00 0.00 36.38 34.22 1x50 s VAL 151 CO -0.03 -0.05 0.59 -0.89 -3.33 0.00 0.00 175.10 171.40 1x50 s THR 152 N -0.10 5.13 0.21 5.04 2.01 -0.86 -4.94 115.64 122.14 1x50 s THR 152 Ca -0.03 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.58 1x50 s THR 152 Cb -0.03 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 1x50 s THR 152 CO 0.02 -0.93 1.03 -0.76 -0.69 0.00 0.00 174.62 173.28 1x50 s LEU 153 N 0.79 4.56 0.00 4.42 1.43 -1.26 0.47 118.68 129.08 1x50 s LEU 153 Ca 0.11 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1x50 s LEU 153 Cb -0.20 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1x50 s LEU 153 CO -0.03 -0.05 0.00 -1.20 0.23 0.00 0.00 176.35 175.29 1x50 n SER 154 N 1.83 3.55 -3.72 2.29 7.64 -0.29 -4.08 113.62 120.85 1x50 n SER 154 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1x50 n SER 154 Cb 0.46 0.01 -0.13 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 -1.88 -0.31 -0.22 1.43 6.14 -0.40 -1.82 117.35 120.30 1x50 s TYR 155 Ca 0.00 0.75 -0.05 0.00 0.64 0.00 0.00 57.07 58.41 1x50 s TYR 155 Cb 0.00 0.01 0.08 0.00 0.42 0.00 0.00 41.96 42.47 1x50 s TYR 155 CO 0.00 -0.23 0.11 0.08 0.64 0.00 0.00 175.55 176.15 1x50 s VAL 156 N 1.36 -0.10 -0.07 3.14 1.01 -1.23 -1.30 120.40 123.21 1x50 s VAL 156 Ca -0.08 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1x50 s VAL 156 Cb -0.11 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1x50 s VAL 156 CO -0.08 -0.44 -0.24 -1.58 0.00 0.00 0.00 175.10 172.77 1x50 s GLN 157 N 2.14 2.67 -0.88 2.72 0.74 -1.21 -3.44 119.66 122.40 1x50 s GLN 157 Ca 0.05 -0.85 -0.14 0.00 0.05 0.00 0.00 55.36 54.47 1x50 s GLN 157 Cb -0.16 -2.14 0.22 0.00 1.10 0.00 0.00 33.01 32.03 1x50 s GLN 157 CO -0.19 0.27 0.86 0.42 -0.55 0.00 0.00 175.29 176.10 1x50 s ILE 158 N 0.09 5.59 -0.08 -2.34 1.01 -1.26 -3.21 121.20 121.01 1x50 s ILE 158 Ca -0.10 -2.54 -0.33 0.00 0.00 0.00 0.00 60.65 57.67 1x50 s ILE 158 Cb -0.15 -4.52 -0.11 0.00 0.01 0.00 0.00 42.46 37.69 1x50 s ILE 158 CO 0.06 -1.10 1.93 -1.20 0.00 0.00 0.00 174.94 174.63 1x50 n SER 159 N 4.02 3.55 -4.25 3.58 7.64 -0.79 -4.90 113.62 122.47 1x50 n SER 159 Ca 0.16 0.90 -0.14 0.00 1.01 0.00 0.00 58.87 60.81 1x50 n SER 159 Cb 0.46 -1.41 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 1x50 n SER 159 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x50 s GLY 160 N 4.49 1.23 0.00 0.23 0.00 -1.26 -1.65 107.32 110.35 1x50 s GLY 160 Ca 0.93 -1.60 0.15 0.00 0.00 0.00 0.00 44.72 44.20 1x50 s GLY 160 CO 0.49 -1.54 1.39 -1.55 0.00 0.00 0.00 173.10 171.88 1x50 n PRO 161 N -0.25 0.30 -4.10 2.90 -0.04 -1.25 -4.75 135.00 127.81 1x50 n PRO 161 Ca -0.07 0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 1x50 n PRO 161 Cb 0.63 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1x50 n PRO 161 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x50 s SER 162 N -2.38 4.48 -0.30 3.54 0.15 -1.26 -5.14 113.70 112.78 1x50 s SER 162 Ca 0.17 -1.14 -0.05 0.00 0.70 0.00 0.00 55.95 55.64 1x50 s SER 162 Cb 0.10 -0.24 0.18 0.00 -1.71 0.00 0.00 66.02 64.35 1x50 s SER 162 CO 0.21 -0.68 0.73 -0.94 1.20 0.00 0.00 173.24 173.77 1x50 s SER 163 N -3.98 -1.11 0.00 5.45 1.04 -1.26 -5.11 113.70 108.73 1x50 s SER 163 Ca 0.37 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1x50 s SER 163 Cb 0.02 1.95 0.00 0.00 0.10 0.00 0.00 66.02 68.09 1x50 s SER 163 CO 0.21 -0.21 0.33 0.61 0.98 0.00 0.00 173.24 175.16