#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4t n ARG 3 N 0.00 -1.51 0.08 1.97 1.74 -0.80 -4.87 116.66 113.27 3b4t n ARG 3 Ca 0.00 -0.12 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 3b4t n ARG 3 Cb 0.00 -0.13 0.02 0.00 -1.02 0.00 0.00 32.46 31.33 3b4t n ARG 3 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3b4t h GLU 4 N 0.00 0.22 -0.64 5.56 4.81 -2.02 -3.07 114.58 119.44 3b4t h GLU 4 Ca -0.03 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3b4t h GLU 4 Cb 0.09 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3b4t h GLU 4 CO 0.02 0.92 0.00 -0.40 -0.73 0.00 0.00 179.01 178.81 3b4t n ASP 5 N -3.71 3.20 0.00 1.04 5.68 -1.26 -4.88 116.55 116.62 3b4t n ASP 5 Ca -0.03 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 3b4t n ASP 5 Cb 0.76 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3b4t n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b4t n GLY 6 N 0.67 0.88 3.79 6.12 0.00 -1.16 -4.99 105.19 110.49 3b4t n GLY 6 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3b4t n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b4t s ARG 7 N -0.27 3.13 0.74 1.61 0.52 -1.26 -4.66 118.95 118.75 3b4t s ARG 7 Ca 0.00 1.32 -0.11 0.00 -0.52 0.00 0.00 55.73 56.42 3b4t s ARG 7 Cb 0.00 -2.00 0.04 0.00 0.52 0.00 0.00 34.95 33.51 3b4t s ARG 7 CO 0.00 -0.98 1.10 -0.51 0.02 0.00 0.00 175.30 174.94 3b4t s LEU 8 N -4.55 2.77 0.37 2.53 1.43 -1.26 -1.90 118.68 118.07 3b4t s LEU 8 Ca 0.66 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 3b4t s LEU 8 Cb -0.18 -3.55 0.73 0.00 0.03 0.00 0.00 46.19 43.22 3b4t s LEU 8 CO 0.37 -1.56 2.00 0.44 0.23 0.00 0.00 176.35 177.83 3b4t h ASP 9 N -0.76 0.55 -0.40 2.29 3.32 -1.97 -2.35 116.42 117.10 3b4t h ASP 9 Ca -0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3b4t h ASP 9 Cb 1.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3b4t h ASP 9 CO 0.64 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 178.61 3b4t n HIS 10 N -4.42 0.52 -3.48 4.55 1.44 -1.26 -2.08 115.22 110.50 3b4t n HIS 10 Ca 0.04 -0.26 -0.37 0.00 -2.01 0.00 0.00 57.72 55.11 3b4t n HIS 10 Cb 0.10 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 3b4t n HIS 10 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3b4t s GLU 11 N -1.48 4.15 0.54 -1.40 2.02 -0.89 -4.83 118.70 116.81 3b4t s GLU 11 Ca 0.36 0.26 -0.18 0.00 0.02 0.00 0.00 54.97 55.43 3b4t s GLU 11 Cb 0.20 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.00 3b4t s GLU 11 CO 0.27 0.36 1.05 -0.51 0.02 0.00 0.00 175.26 176.45 3b4t s LEU 12 N 0.05 3.68 0.94 1.80 1.43 -1.26 -4.76 118.68 120.57 3b4t s LEU 12 Ca 0.21 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 3b4t s LEU 12 Cb -0.14 -4.55 0.16 0.00 0.03 0.00 0.00 46.19 41.68 3b4t s LEU 12 CO 0.08 -0.97 1.09 -0.13 0.23 0.00 0.00 176.35 176.65 3b4t s ARG 13 N -3.62 0.85 0.06 1.70 0.52 -1.26 -4.91 118.95 112.29 3b4t s ARG 13 Ca 0.66 1.08 -0.34 0.00 -0.52 0.00 0.00 55.73 56.61 3b4t s ARG 13 Cb -0.17 -1.74 -0.13 0.00 0.52 0.00 0.00 34.95 33.43 3b4t s ARG 13 CO 0.28 -2.59 1.72 -2.30 0.02 0.00 0.00 175.30 172.42 3b4t n PRO 14 N -4.16 2.19 -3.87 3.54 -0.02 -1.26 -4.67 135.00 126.75 3b4t n PRO 14 Ca 0.08 0.80 -0.36 0.00 -2.02 0.00 0.00 63.50 62.00 3b4t n PRO 14 Cb 0.54 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 3b4t n PRO 14 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3b4t s VAL 15 N 2.31 4.61 -0.16 -1.45 1.01 -1.26 -1.57 120.40 123.90 3b4t s VAL 15 Ca 0.85 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.76 3b4t s VAL 15 Cb -0.68 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3b4t s VAL 15 CO 0.44 0.38 -0.18 -0.63 0.00 0.00 0.00 175.10 175.11 3b4t s ILE 16 N 1.08 1.86 -0.25 2.22 1.01 -0.74 -4.97 121.20 121.41 3b4t s ILE 16 Ca 0.05 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 3b4t s ILE 16 Cb -0.14 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.67 3b4t s ILE 16 CO 0.03 0.51 -0.07 -0.63 0.00 0.00 0.00 174.94 174.78 3b4t s ILE 17 N 1.25 2.75 -0.36 2.92 1.01 -1.26 -1.11 121.20 126.40 3b4t s ILE 17 Ca 0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 3b4t s ILE 17 Cb -0.14 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 40.00 3b4t s ILE 17 CO -0.09 0.17 0.11 -0.89 0.00 0.00 0.00 174.94 174.23 3b4t s THR 18 N 1.29 2.93 0.69 2.92 2.01 -0.59 -4.93 115.64 119.97 3b4t s THR 18 Ca -0.01 -1.96 -0.12 0.00 0.31 0.00 0.00 61.69 59.91 3b4t s THR 18 Cb -0.17 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3b4t s THR 18 CO -0.05 -0.51 1.08 -0.13 -0.69 0.00 0.00 174.62 174.32 3b4t s ARG 19 N 1.11 2.79 -1.53 4.92 0.52 -1.26 -1.59 118.95 123.90 3b4t s ARG 19 Ca 0.05 1.13 -0.04 0.00 -0.52 0.00 0.00 55.73 56.35 3b4t s ARG 19 Cb -0.21 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.31 3b4t s ARG 19 CO -0.04 -1.22 0.43 0.41 0.02 0.00 0.00 175.30 174.89 3b4t n GLY 20 N -1.34 -0.51 0.31 -3.53 0.00 0.12 -4.88 105.19 95.36 3b4t n GLY 20 Ca 0.09 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.23 3b4t n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b4t h PHE 21 N -0.96 0.56 -2.80 1.61 3.57 -1.51 -3.42 116.94 113.99 3b4t h PHE 21 Ca -0.49 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.54 3b4t h PHE 21 Cb 1.35 -0.18 -0.14 0.00 2.79 0.00 0.00 35.95 39.76 3b4t h PHE 21 CO 0.57 0.38 -0.69 0.95 -2.23 0.00 0.00 178.31 177.29 3b4t s THR 22 N -5.44 1.61 -0.12 4.41 -4.23 -1.26 -5.08 115.64 105.53 3b4t s THR 22 Ca -0.08 -2.15 0.15 0.00 -1.18 0.00 0.00 61.69 58.43 3b4t s THR 22 Cb 0.17 -2.29 -0.21 0.00 1.34 0.00 0.00 72.50 71.51 3b4t s THR 22 CO 0.74 -0.41 0.13 -0.62 -0.54 0.00 0.00 174.62 173.92 3b4t n GLU 23 N -0.49 1.18 -0.05 3.99 1.02 -1.26 -4.63 120.64 120.40 3b4t n GLU 23 Ca -0.06 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.92 3b4t n GLU 23 Cb 0.62 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 3b4t n GLU 23 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3b4t h ASN 24 N 0.00 0.26 -4.02 1.62 2.35 -1.98 -3.43 115.58 110.37 3b4t h ASN 24 Ca -0.33 -0.18 -0.50 0.00 -0.55 0.00 0.00 56.30 54.75 3b4t h ASN 24 Cb 1.69 -0.07 0.05 0.00 0.05 0.00 0.00 38.32 40.05 3b4t h ASN 24 CO 0.02 0.37 0.45 -2.84 -1.65 0.00 0.00 177.43 173.77 3b4t s PRO 25 N -5.49 3.76 0.39 0.81 0.02 -1.26 -4.92 135.00 128.30 3b4t s PRO 25 Ca -0.14 1.65 0.06 0.00 0.02 0.00 0.00 61.00 62.59 3b4t s PRO 25 Cb 0.07 -2.32 0.80 0.00 0.02 0.00 0.00 34.50 33.07 3b4t s PRO 25 CO 0.71 -0.52 2.03 0.00 -0.33 0.00 0.00 177.00 178.89 3b4t h ALA 26 N 1.91 1.69 -3.76 -1.55 0.00 -1.79 -3.40 119.26 112.35 3b4t h ALA 26 Ca -0.49 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 53.84 3b4t h ALA 26 Cb 1.24 -0.19 -0.32 0.00 0.00 0.00 0.00 17.79 18.53 3b4t h ALA 26 CO 0.60 0.27 -0.83 0.20 0.00 0.00 0.00 179.25 179.49 3b4t s GLY 27 N -3.62 0.89 -0.26 0.00 0.00 -0.80 -4.00 107.32 99.53 3b4t s GLY 27 Ca -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 3b4t s GLY 27 CO 0.75 -0.23 0.36 -0.45 0.00 0.00 0.00 173.10 173.52 3b4t s SER 28 N 0.20 0.60 -0.12 1.64 0.15 -1.26 -0.26 113.70 114.66 3b4t s SER 28 Ca -0.07 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3b4t s SER 28 Cb -0.13 0.95 0.02 0.00 -1.71 0.00 0.00 66.02 65.16 3b4t s SER 28 CO 0.03 -0.33 -0.09 -0.69 1.20 0.00 0.00 173.24 173.35 3b4t s VAL 29 N 2.50 1.15 -0.42 4.45 1.01 0.84 0.15 120.40 130.07 3b4t s VAL 29 Ca 0.11 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 3b4t s VAL 29 Cb -0.15 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3b4t s VAL 29 CO -0.21 0.39 0.57 -0.22 0.00 0.00 0.00 175.10 175.63 3b4t s LEU 30 N 1.55 4.57 -0.05 3.92 2.96 -0.62 0.02 118.68 131.03 3b4t s LEU 30 Ca 0.03 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3b4t s LEU 30 Cb -0.13 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3b4t s LEU 30 CO -0.07 -0.69 -0.05 -0.51 -1.32 0.00 0.00 176.35 173.71 3b4t s ILE 31 N 2.59 3.83 -0.11 6.68 2.07 -0.41 -1.54 121.20 134.31 3b4t s ILE 31 Ca 0.19 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 3b4t s ILE 31 Cb -0.15 -2.60 0.02 0.00 0.13 0.00 0.00 42.46 39.86 3b4t s ILE 31 CO 0.17 0.54 -0.09 -1.61 -1.91 0.00 0.00 174.94 172.04 3b4t s GLU 32 N -0.99 1.63 -0.74 3.50 2.02 -0.27 -1.25 118.70 122.61 3b4t s GLU 32 Ca 0.14 -0.31 -0.11 0.00 0.02 0.00 0.00 54.97 54.71 3b4t s GLU 32 Cb -0.11 -1.59 0.19 0.00 0.10 0.00 0.00 34.13 32.72 3b4t s GLU 32 CO 0.03 -0.20 0.64 -0.06 0.02 0.00 0.00 175.26 175.70 3b4t s PHE 33 N 1.45 3.62 0.00 1.61 0.40 0.01 -1.79 117.98 123.27 3b4t s PHE 33 Ca 0.00 -2.16 0.00 0.00 -0.60 0.00 0.00 56.93 54.18 3b4t s PHE 33 Cb -0.13 -3.63 0.00 0.00 0.51 0.00 0.00 43.02 39.77 3b4t s PHE 33 CO -0.06 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.32 3b4t n GLY 34 N 3.94 3.36 0.08 4.36 0.00 -0.61 -1.88 105.19 114.44 3b4t n GLY 34 Ca 0.10 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3b4t n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3b4t n HIS 35 N 13.80 0.62 -2.29 1.61 8.25 -1.26 -4.72 115.22 131.23 3b4t n HIS 35 Ca 0.00 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 3b4t n HIS 35 Cb 0.00 -0.82 -0.03 0.00 1.12 0.00 0.00 29.99 30.26 3b4t n HIS 35 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3b4t s THR 36 N -3.11 3.94 -0.09 1.59 2.01 -0.79 -4.65 115.64 114.53 3b4t s THR 36 Ca 0.10 1.24 0.02 0.00 0.31 0.00 0.00 61.69 63.36 3b4t s THR 36 Cb 0.13 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3b4t s THR 36 CO 0.51 -0.05 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.72 3b4t s LYS 37 N 2.89 2.00 -0.04 4.92 1.02 -0.40 -0.81 119.74 129.32 3b4t s LYS 37 Ca 0.61 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 56.12 3b4t s LYS 37 Cb -0.28 -1.69 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 3b4t s LYS 37 CO 0.23 -0.03 -0.04 0.08 -0.92 0.00 0.00 175.35 174.67 3b4t s VAL 38 N 0.88 0.45 -0.35 3.17 1.01 -0.38 -0.46 120.40 124.73 3b4t s VAL 38 Ca -0.10 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3b4t s VAL 38 Cb -0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3b4t s VAL 38 CO 0.01 0.20 0.46 -0.22 0.00 0.00 0.00 175.10 175.54 3b4t s LEU 39 N 0.81 4.38 -0.24 3.92 2.96 -0.49 -1.29 118.68 128.74 3b4t s LEU 39 Ca -0.10 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3b4t s LEU 39 Cb -0.13 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.06 3b4t s LEU 39 CO -0.00 -0.43 -0.02 0.00 -1.32 0.00 0.00 176.35 174.58 3b4t s THR 41 N 1.47 2.33 -0.27 0.00 -4.23 0.13 -0.12 115.64 114.95 3b4t s THR 41 Ca 0.05 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3b4t s THR 41 Cb -0.15 -1.98 0.07 0.00 1.34 0.00 0.00 72.50 71.78 3b4t s THR 41 CO -0.02 0.23 -0.08 0.00 -0.54 0.00 0.00 174.62 174.21 3b4t s ALA 42 N -0.95 2.53 -0.18 3.99 0.00 0.64 -0.95 121.76 126.83 3b4t s ALA 42 Ca 0.14 -1.83 -0.09 0.00 0.00 0.00 0.00 51.96 50.18 3b4t s ALA 42 Cb -0.10 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 3b4t s ALA 42 CO 0.05 -1.28 0.13 -1.12 0.00 0.00 0.00 175.76 173.54 3b4t s SER 43 N 1.12 6.24 -0.07 0.00 0.01 -0.26 -1.90 113.70 118.84 3b4t s SER 43 Ca -0.05 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.45 3b4t s SER 43 Cb -0.20 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3b4t s SER 43 CO -0.06 0.23 0.09 -0.69 0.41 0.00 0.00 173.24 173.22 3b4t s VAL 44 N 0.06 4.97 0.11 3.43 1.01 -1.26 -0.36 120.40 128.37 3b4t s VAL 44 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3b4t s VAL 44 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3b4t s VAL 44 CO -0.01 0.51 -0.01 0.42 0.00 0.00 0.00 175.10 176.02 3b4t s THR 45 N -1.06 0.41 -0.28 3.92 -4.23 -0.47 -5.01 115.64 108.92 3b4t s THR 45 Ca 0.18 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.66 3b4t s THR 45 Cb -0.12 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 3b4t s THR 45 CO 0.08 -0.72 0.26 -0.70 -0.54 0.00 0.00 174.62 172.99 3b4t s GLU 46 N -3.93 3.97 0.00 3.99 2.12 -1.26 -2.45 118.70 121.14 3b4t s GLU 46 Ca 0.16 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.31 3b4t s GLU 46 Cb 0.07 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3b4t s GLU 46 CO -0.03 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3b4t n GLY 47 N 4.92 1.82 3.78 -1.50 0.00 -0.87 -4.94 105.19 108.39 3b4t n GLY 47 Ca -0.12 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 3b4t n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b4t s VAL 48 N 0.00 3.42 -2.00 1.61 1.01 -1.19 -4.51 120.40 118.75 3b4t s VAL 48 Ca 0.00 0.73 0.15 0.00 0.00 0.00 0.00 61.98 62.86 3b4t s VAL 48 Cb 0.00 -3.25 0.42 0.00 0.00 0.00 0.00 36.38 33.55 3b4t s VAL 48 CO 0.00 -0.35 1.37 -0.81 0.00 0.00 0.00 175.10 175.32 3b4t n PRO 49 N -1.96 0.71 -1.38 2.72 -0.04 -1.26 -5.08 135.00 128.71 3b4t n PRO 49 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3b4t n PRO 49 Cb 0.52 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3b4t n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3b4t n LEU 57 N -0.82 0.00 0.00 1.53 4.77 -1.26 -5.14 117.00 116.08 3b4t n LEU 57 Ca 0.11 0.92 -0.16 0.00 -0.03 0.00 0.00 56.01 56.86 3b4t n LEU 57 Cb 0.05 -1.38 0.11 0.00 -2.33 0.00 0.00 43.42 39.86 3b4t n LEU 57 CO 0.08 -0.29 0.47 0.61 -1.33 0.00 0.00 177.39 176.93 3b4t n GLY 58 N 1.06 -1.07 3.11 -0.72 0.00 0.39 -4.66 105.19 103.31 3b4t n GLY 58 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3b4t n GLY 58 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3b4t s TRP 59 N -2.48 0.36 -0.04 1.61 -0.00 -0.04 -4.89 118.94 113.45 3b4t s TRP 59 Ca 0.41 -0.82 -0.01 0.00 -0.00 0.00 0.00 56.10 55.68 3b4t s TRP 59 Cb -0.01 -0.26 0.03 0.00 -0.00 0.00 0.00 33.47 33.23 3b4t s TRP 59 CO 0.29 -0.40 0.04 -1.17 -0.00 0.00 0.00 176.95 175.71 3b4t s LEU 60 N -2.64 0.46 0.23 5.86 0.20 -1.26 -1.30 118.68 120.24 3b4t s LEU 60 Ca 0.02 0.04 0.07 0.00 0.69 0.00 0.00 54.13 54.95 3b4t s LEU 60 Cb 0.04 -0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.58 3b4t s LEU 60 CO -0.08 -0.21 0.13 0.42 -0.29 0.00 0.00 176.35 176.32 3b4t s THR 61 N 1.85 4.21 -0.04 3.68 -4.23 -0.59 -4.98 115.64 115.53 3b4t s THR 61 Ca 0.01 -1.43 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3b4t s THR 61 Cb -0.12 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.52 3b4t s THR 61 CO -0.03 -0.28 0.09 0.00 -0.54 0.00 0.00 174.62 173.86 3b4t s ALA 62 N -2.04 -0.05 -0.06 3.99 0.00 -1.26 -0.38 121.76 121.95 3b4t s ALA 62 Ca 0.32 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.76 3b4t s ALA 62 Cb -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3b4t s ALA 62 CO 0.23 -0.21 -0.16 -1.21 0.00 0.00 0.00 175.76 174.41 3b4t s GLU 63 N 1.35 1.96 0.01 0.00 2.02 0.77 -4.61 118.70 120.20 3b4t s GLU 63 Ca -0.06 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.41 3b4t s GLU 63 Cb -0.12 -1.62 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 3b4t s GLU 63 CO -0.04 0.14 -0.18 -0.47 0.02 0.00 0.00 175.26 174.73 3b4t s TYR 64 N 0.35 2.58 0.08 1.61 5.04 -1.26 -0.55 117.35 125.20 3b4t s TYR 64 Ca -0.11 -0.24 -0.24 0.00 -2.44 0.00 0.00 57.07 54.04 3b4t s TYR 64 Cb -0.14 -1.52 0.06 0.00 0.35 0.00 0.00 41.96 40.71 3b4t s TYR 64 CO 0.04 0.20 0.58 0.00 -1.34 0.00 0.00 175.55 175.04 3b4t s ALA 65 N -0.84 -1.52 -0.08 3.97 0.00 -0.01 -4.82 121.76 118.47 3b4t s ALA 65 Ca 0.13 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.80 3b4t s ALA 65 Cb -0.10 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 3b4t s ALA 65 CO 0.03 -0.60 -0.20 -1.64 0.00 0.00 0.00 175.76 173.35 3b4t s MET 66 N -2.85 2.80 0.53 0.00 1.00 -1.26 -0.40 119.30 119.12 3b4t s MET 66 Ca -0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 55.69 54.63 3b4t s MET 66 Cb -0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 34.83 32.44 3b4t s MET 66 CO -0.05 0.37 1.32 -0.51 0.00 0.00 0.00 175.02 176.15 3b4t s LEU 67 N -0.09 3.88 0.44 -0.03 1.43 -0.70 -4.89 118.68 118.71 3b4t s LEU 67 Ca -0.04 2.68 0.20 0.00 -1.03 0.00 0.00 54.13 55.94 3b4t s LEU 67 Cb -0.14 -4.27 1.15 0.00 0.03 0.00 0.00 46.19 42.96 3b4t s LEU 67 CO 0.04 -1.46 1.87 -0.65 0.23 0.00 0.00 176.35 176.38 3b4t h PRO 68 N 1.55 0.32 -0.01 1.29 0.11 -1.91 -1.09 132.00 132.27 3b4t h PRO 68 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3b4t h PRO 68 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3b4t h PRO 68 CO 0.58 0.21 -0.23 -1.13 -0.21 0.00 0.00 178.00 177.23 3b4t n SER 69 N -4.47 1.27 -0.06 -2.05 3.41 -1.26 -1.17 113.62 109.29 3b4t n SER 69 Ca 0.19 -1.10 0.03 0.00 -0.26 0.00 0.00 58.87 57.73 3b4t n SER 69 Cb 0.73 0.14 0.37 0.00 -0.26 0.00 0.00 64.21 65.19 3b4t n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b4t h ALA 70 N 3.86 1.62 -2.27 7.33 0.00 -1.34 -3.43 119.26 125.02 3b4t h ALA 70 Ca 0.00 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.39 3b4t h ALA 70 Cb 0.54 -0.20 0.05 0.00 0.00 0.00 0.00 17.79 18.19 3b4t h ALA 70 CO 0.00 0.34 0.16 0.95 0.00 0.00 0.00 179.25 180.71 3b4t s THR 71 N -5.55 3.68 0.16 0.00 -4.23 -1.26 -1.52 115.64 106.92 3b4t s THR 71 Ca -0.09 -0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.23 3b4t s THR 71 Cb 0.17 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.60 3b4t s THR 71 CO 0.75 -0.46 1.70 0.45 -0.54 0.00 0.00 174.62 176.51 3b4t h HIS 72 N -0.14 -0.06 -3.07 3.99 3.86 -1.85 -3.38 115.15 114.50 3b4t h HIS 72 Ca -0.45 0.03 -0.67 0.00 -1.16 0.00 0.00 60.37 58.11 3b4t h HIS 72 Cb 1.26 0.08 -0.12 0.00 1.06 0.00 0.00 27.41 29.68 3b4t h HIS 72 CO 0.47 -0.08 -0.56 -1.12 0.86 0.00 0.00 177.93 177.49 3b4t s SER 73 N -5.24 5.69 0.30 2.45 0.01 -1.26 -5.07 113.70 110.58 3b4t s SER 73 Ca -0.13 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.08 3b4t s SER 73 Cb 0.13 -1.74 -0.11 0.00 0.21 0.00 0.00 66.02 64.50 3b4t s SER 73 CO 0.70 0.37 1.58 -0.60 0.41 0.00 0.00 173.24 175.70 3b4t s ARG 74 N -0.80 4.12 0.18 12.44 3.52 -1.26 -4.92 118.95 132.23 3b4t s ARG 74 Ca 0.13 2.58 0.05 0.00 -0.13 0.00 0.00 55.73 58.35 3b4t s ARG 74 Cb -0.12 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 3b4t s ARG 74 CO 0.03 -0.62 0.17 -1.54 -0.81 0.00 0.00 175.30 172.53 3b4t s SER 75 N 0.40 5.64 0.31 -2.12 1.04 -0.32 -5.02 113.70 113.63 3b4t s SER 75 Ca 0.62 -0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.64 3b4t s SER 75 Cb -0.48 -1.50 -0.10 0.00 0.10 0.00 0.00 66.02 64.04 3b4t s SER 75 CO 0.50 0.04 1.32 -1.81 0.98 0.00 0.00 173.24 174.27 3b4t s ASP 76 N -3.30 6.78 0.23 7.02 1.01 -1.26 -4.54 116.67 122.61 3b4t s ASP 76 Ca 0.32 2.65 -0.30 0.00 0.71 0.00 0.00 52.55 55.92 3b4t s ASP 76 Cb -0.10 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.09 3b4t s ASP 76 CO 0.24 -0.55 1.45 -0.60 0.21 0.00 0.00 175.17 175.93 3b4t s ARG 77 N -1.41 4.26 0.36 8.23 3.52 -1.26 -4.90 118.95 127.75 3b4t s ARG 77 Ca 0.51 2.29 0.10 0.00 -0.13 0.00 0.00 55.73 58.50 3b4t s ARG 77 Cb -0.39 -3.13 0.69 0.00 -1.56 0.00 0.00 34.95 30.56 3b4t s ARG 77 CO 0.50 -0.45 1.84 0.93 -0.81 0.00 0.00 175.30 177.31 3b4t h GLU 78 N 5.41 0.17 -0.56 5.12 5.08 -1.93 0.26 114.58 128.13 3b4t h GLU 78 Ca -0.45 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 3b4t h GLU 78 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3b4t h GLU 78 CO 0.80 0.43 -0.03 0.66 -1.00 0.00 0.00 179.01 179.88 3b4t h SER 79 N 0.15 0.97 -0.16 1.42 4.64 -1.91 0.15 113.55 118.81 3b4t h SER 79 Ca 0.02 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 3b4t h SER 79 Cb 0.56 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3b4t h SER 79 CO 0.04 1.04 -0.37 0.58 -0.87 0.00 0.00 176.83 177.25 3b4t h VAL 80 N 0.90 1.35 -0.24 0.95 2.07 -1.81 -3.05 116.25 116.42 3b4t h VAL 80 Ca 0.16 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 3b4t h VAL 80 Cb 0.56 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3b4t h VAL 80 CO 0.03 0.49 0.00 -0.09 0.02 0.00 0.00 177.57 178.03 3b4t h ARG 81 N 0.18 0.35 0.00 1.57 2.43 -0.87 -3.47 114.38 114.58 3b4t h ARG 81 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3b4t h ARG 81 Cb 0.97 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3b4t h ARG 81 CO 0.08 0.38 0.00 0.41 -1.51 0.00 0.00 179.97 179.33 3b4t n GLY 82 N -1.07 0.95 3.54 2.80 0.00 0.44 -5.07 105.19 106.77 3b4t n GLY 82 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3b4t n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3b4t s ARG 83 N -0.76 0.78 0.32 1.61 1.70 -0.76 -5.01 118.95 116.82 3b4t s ARG 83 Ca 0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.00 3b4t s ARG 83 Cb 0.00 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 3b4t s ARG 83 CO 0.00 -0.28 1.05 -0.51 -1.08 0.00 0.00 175.30 174.48 3b4t s LEU 84 N -1.60 4.40 0.61 -1.89 1.43 -1.26 -4.68 118.68 115.69 3b4t s LEU 84 Ca -0.02 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.05 3b4t s LEU 84 Cb -0.01 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 3b4t s LEU 84 CO -0.00 -0.22 1.05 -0.94 0.23 0.00 0.00 176.35 176.46 3b4t s SER 85 N -1.22 5.78 0.19 2.29 1.04 -1.26 -4.94 113.70 115.58 3b4t s SER 85 Ca 0.49 1.74 -0.12 0.00 0.48 0.00 0.00 55.95 58.54 3b4t s SER 85 Cb -0.27 -2.52 0.12 0.00 0.10 0.00 0.00 66.02 63.45 3b4t s SER 85 CO 0.34 -1.17 1.86 1.23 0.98 0.00 0.00 173.24 176.48 3b4t h GLY 86 N 0.20 0.91 0.66 7.32 0.00 -2.00 -2.42 103.07 107.74 3b4t h GLY 86 Ca -0.46 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 46.59 3b4t h GLY 86 CO 0.58 0.32 0.18 -0.09 0.00 0.00 0.00 176.54 177.53 3b4t h ARG 87 N 0.86 0.35 -0.35 4.80 2.43 -1.99 -0.03 114.38 120.46 3b4t h ARG 87 Ca 0.24 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3b4t h ARG 87 Cb -0.09 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 3b4t h ARG 87 CO -0.06 0.23 -0.06 1.15 -1.51 0.00 0.00 179.97 179.72 3b4t h THR 88 N 0.36 0.68 -0.51 0.20 2.02 -1.82 -0.06 112.91 113.78 3b4t h THR 88 Ca 0.20 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3b4t h THR 88 Cb 0.17 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3b4t h THR 88 CO -0.19 0.00 0.27 1.56 0.37 0.00 0.00 175.52 177.54 3b4t h GLN 89 N 0.03 0.71 -0.07 6.66 1.08 -1.03 -0.66 115.11 121.82 3b4t h GLN 89 Ca 0.17 -0.09 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 3b4t h GLN 89 Cb 0.25 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 3b4t h GLN 89 CO -0.34 0.56 -0.17 1.49 -0.95 0.00 0.00 178.83 179.43 3b4t h GLU 90 N 0.67 -0.23 -0.31 1.46 4.81 -0.40 -2.15 114.58 118.44 3b4t h GLU 90 Ca 0.18 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3b4t h GLU 90 Cb 0.06 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3b4t h GLU 90 CO -0.03 -0.15 -0.06 0.82 -0.73 0.00 0.00 179.01 178.85 3b4t h ILE 91 N -0.24 1.28 -0.62 2.32 2.04 -0.88 -2.39 117.51 119.01 3b4t h ILE 91 Ca 0.08 -1.09 0.11 0.00 1.00 0.00 0.00 64.86 64.96 3b4t h ILE 91 Cb 0.35 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 3b4t h ILE 91 CO -0.21 0.35 0.18 0.28 0.00 0.00 0.00 178.15 178.75 3b4t h SER 92 N 0.36 0.10 -0.31 1.72 0.02 -1.02 -0.64 113.55 113.78 3b4t h SER 92 Ca 0.08 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 3b4t h SER 92 Cb 0.55 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3b4t h SER 92 CO 0.03 0.05 -0.27 0.03 -1.14 0.00 0.00 176.83 175.53 3b4t h ARG 93 N 0.32 0.82 -0.27 3.45 3.08 -1.30 -1.50 114.38 118.98 3b4t h ARG 93 Ca 0.33 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3b4t h ARG 93 Cb 0.47 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3b4t h ARG 93 CO -0.38 0.99 0.10 1.25 -1.07 0.00 0.00 179.97 180.87 3b4t h LEU 94 N 0.70 0.12 -0.43 3.04 5.85 -0.82 -0.89 115.31 122.88 3b4t h LEU 94 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3b4t h LEU 94 Cb 0.81 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3b4t h LEU 94 CO 0.07 0.11 0.24 0.40 -0.34 0.00 0.00 178.44 178.92 3b4t h ILE 95 N 0.23 1.15 -0.50 4.05 2.04 -0.91 0.23 117.51 123.80 3b4t h ILE 95 Ca 0.12 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3b4t h ILE 95 Cb 0.08 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3b4t h ILE 95 CO -0.11 0.16 0.26 1.23 0.00 0.00 0.00 178.15 179.68 3b4t h GLY 96 N 0.57 0.70 0.94 5.37 0.00 -1.08 -1.28 103.07 108.29 3b4t h GLY 96 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3b4t h GLY 96 CO -0.03 0.12 0.13 3.21 0.00 0.00 0.00 176.54 179.97 3b4t h ARG 97 N 0.50 0.36 -0.51 4.80 3.08 -0.83 -2.65 114.38 119.13 3b4t h ARG 97 Ca 0.22 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3b4t h ARG 97 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3b4t h ARG 97 CO -0.15 0.34 0.31 0.77 -1.07 0.00 0.00 179.97 180.17 3b4t h SER 98 N 0.29 0.50 0.03 7.04 0.02 -0.50 -2.79 113.55 118.16 3b4t h SER 98 Ca 0.09 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.83 3b4t h SER 98 Cb 0.09 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3b4t h SER 98 CO -0.01 0.36 -0.76 -0.07 -1.14 0.00 0.00 176.83 175.20 3b4t h LEU 99 N 0.62 0.74 -1.86 5.07 3.38 -1.25 -3.13 115.31 118.87 3b4t h LEU 99 Ca 0.20 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3b4t h LEU 99 Cb 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3b4t h LEU 99 CO -0.08 1.26 -0.12 0.03 0.09 0.00 0.00 178.44 179.62 3b4t h ARG 100 N 0.42 0.00 0.00 1.13 3.08 -1.35 -2.92 114.38 114.74 3b4t h ARG 100 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3b4t h ARG 100 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 3b4t h ARG 100 CO 0.15 0.12 -0.11 0.00 -1.07 0.00 0.00 179.97 179.05 3b4t h ALA 101 N 1.88 1.40 -0.17 0.04 0.00 -1.44 -3.03 119.26 117.95 3b4t h ALA 101 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b4t h ALA 101 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3b4t h ALA 101 CO 0.02 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3b4t s ILE 103 N -1.49 1.62 -0.73 0.00 2.07 -1.14 -1.16 121.20 120.37 3b4t s ILE 103 Ca 0.19 -0.78 -0.24 0.00 -1.41 0.00 0.00 60.65 58.41 3b4t s ILE 103 Cb 0.13 -1.41 0.06 0.00 0.13 0.00 0.00 42.46 41.37 3b4t s ILE 103 CO 0.08 0.46 1.10 -0.62 -1.91 0.00 0.00 174.94 174.05 3b4t s ASP 104 N 0.32 6.23 0.13 4.50 -1.08 0.11 -4.88 116.67 122.00 3b4t s ASP 104 Ca -0.13 -0.96 0.14 0.00 -0.52 0.00 0.00 52.55 51.08 3b4t s ASP 104 Cb -0.15 -2.47 0.64 0.00 -1.46 0.00 0.00 42.92 39.48 3b4t s ASP 104 CO 0.05 -1.53 1.42 0.18 0.52 0.00 0.00 175.17 175.81 3b4t n LEU 105 N 8.16 0.27 0.06 -1.34 4.77 -1.26 -0.94 117.00 126.72 3b4t n LEU 105 Ca 0.03 0.60 -0.12 0.00 -0.03 0.00 0.00 56.01 56.49 3b4t n LEU 105 Cb 0.47 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 3b4t n LEU 105 CO 0.65 -0.57 -0.12 0.00 -1.33 0.00 0.00 177.39 176.02 3b4t h ALA 106 N 2.17 0.33 0.00 -1.18 0.00 -1.89 0.11 119.26 118.80 3b4t h ALA 106 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 3b4t h ALA 106 Cb 0.13 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3b4t h ALA 106 CO 0.00 1.21 0.00 0.00 0.00 0.00 0.00 179.25 180.46 3b4t h ALA 107 N 0.77 1.00 0.00 0.00 0.00 -1.41 -3.05 119.26 116.58 3b4t h ALA 107 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3b4t h ALA 107 Cb 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3b4t h ALA 107 CO 0.15 0.00 -0.11 1.25 0.00 0.00 0.00 179.25 180.54 3b4t h LEU 108 N 0.00 0.00 0.00 0.00 5.85 -1.51 -0.08 115.31 119.57 3b4t h LEU 108 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3b4t h LEU 108 Cb 0.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3b4t h LEU 108 CO 0.00 0.01 -0.00 0.61 -0.34 0.00 0.00 178.44 178.72 3b4t n GLY 109 N 1.27 -1.70 2.17 3.75 0.00 -1.15 -4.01 105.19 105.51 3b4t n GLY 109 Ca 0.05 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 3b4t n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3b4t n GLU 110 N -0.70 2.88 -3.98 1.61 1.02 -1.26 -1.17 120.64 119.04 3b4t n GLU 110 Ca 0.00 -1.62 -0.22 0.00 -0.02 0.00 0.00 57.16 55.30 3b4t n GLU 110 Cb 0.00 -2.41 -0.04 0.00 -0.02 0.00 0.00 31.44 28.96 3b4t n GLU 110 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3b4t s ASN 111 N 2.10 5.24 -0.08 1.62 -0.87 -1.26 -2.05 114.94 119.64 3b4t s ASN 111 Ca 0.68 -0.46 0.02 0.00 -1.57 0.00 0.00 52.86 51.53 3b4t s ASN 111 Cb 0.25 -1.08 0.01 0.00 -0.02 0.00 0.00 41.25 40.41 3b4t s ASN 111 CO -0.03 -0.22 -0.14 -0.89 -2.57 0.00 0.00 177.10 173.25 3b4t s THR 112 N -2.26 1.32 -0.25 1.60 2.01 -1.03 -0.86 115.64 116.16 3b4t s THR 112 Ca 0.37 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 3b4t s THR 112 Cb -0.06 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.27 3b4t s THR 112 CO 0.25 0.40 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.92 3b4t s ILE 113 N 0.76 3.16 -0.35 1.82 1.01 -0.42 -1.37 121.20 125.81 3b4t s ILE 113 Ca -0.12 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 3b4t s ILE 113 Cb -0.16 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3b4t s ILE 113 CO 0.03 0.22 0.31 0.00 0.00 0.00 0.00 174.94 175.50 3b4t s ALA 114 N 1.38 3.49 -0.17 9.38 0.00 0.52 -1.55 121.76 134.82 3b4t s ALA 114 Ca 0.02 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 3b4t s ALA 114 Cb -0.16 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 3b4t s ALA 114 CO -0.03 -1.10 0.45 0.42 0.00 0.00 0.00 175.76 175.50 3b4t s ILE 115 N 1.88 5.18 -0.13 0.00 -1.09 0.49 -1.11 121.20 126.42 3b4t s ILE 115 Ca 0.09 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.37 3b4t s ILE 115 Cb -0.17 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3b4t s ILE 115 CO 0.11 0.27 -0.18 -1.81 -1.23 0.00 0.00 174.94 172.10 3b4t s ASP 116 N 0.89 2.81 -0.28 3.58 1.01 -0.13 -0.16 116.67 124.40 3b4t s ASP 116 Ca 0.22 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 52.99 3b4t s ASP 116 Cb -0.15 -1.28 0.07 0.00 1.01 0.00 0.00 42.92 42.57 3b4t s ASP 116 CO 0.09 0.03 -0.07 0.00 0.21 0.00 0.00 175.17 175.43 3b4t s ASP 118 N 1.06 4.65 -0.19 0.00 1.11 -0.62 -0.83 116.67 121.86 3b4t s ASP 118 Ca -0.04 -0.88 -0.29 0.00 0.18 0.00 0.00 52.55 51.52 3b4t s ASP 118 Cb -0.20 -1.74 -0.01 0.00 1.07 0.00 0.00 42.92 42.04 3b4t s ASP 118 CO -0.06 -0.17 1.27 -0.69 1.18 0.00 0.00 175.17 176.70 3b4t s VAL 119 N 1.37 4.26 -0.04 -1.27 1.01 0.47 -1.40 120.40 124.80 3b4t s VAL 119 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.50 3b4t s VAL 119 Cb -0.17 -4.02 -0.26 0.00 0.00 0.00 0.00 36.38 31.93 3b4t s VAL 119 CO -0.02 -0.19 0.67 -0.07 0.00 0.00 0.00 175.10 175.49 3b4t h LEU 120 N 9.90 0.27 -7.42 3.92 3.38 -1.10 -1.86 115.31 122.40 3b4t h LEU 120 Ca -0.26 -0.49 -0.19 0.00 0.09 0.00 0.00 57.88 57.03 3b4t h LEU 120 Cb 1.10 -0.09 -0.29 0.00 0.09 0.00 0.00 40.66 41.48 3b4t h LEU 120 CO 0.98 1.42 -0.49 -1.58 0.09 0.00 0.00 178.44 178.86 3b4t s GLN 121 N -2.60 0.21 -0.27 1.13 0.74 -0.96 -4.12 119.66 113.80 3b4t s GLN 121 Ca -0.11 0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.69 3b4t s GLN 121 Cb 0.07 -0.04 0.03 0.00 1.10 0.00 0.00 33.01 34.17 3b4t s GLN 121 CO 0.82 -0.11 -0.02 0.00 -0.55 0.00 0.00 175.29 175.42 3b4t s ALA 122 N 0.83 2.79 -0.28 1.58 0.00 -0.57 -1.28 121.76 124.82 3b4t s ALA 122 Ca -0.06 -1.52 0.17 0.00 0.00 0.00 0.00 51.96 50.56 3b4t s ALA 122 Cb -0.07 -1.83 0.49 0.00 0.00 0.00 0.00 23.12 21.71 3b4t s ALA 122 CO -0.05 -0.92 1.11 -3.47 0.00 0.00 0.00 175.76 172.43 3b4t n ASP 123 N 4.70 2.60 0.00 0.00 2.03 -1.26 -4.74 116.55 119.88 3b4t n ASP 123 Ca -0.15 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.52 3b4t n ASP 123 Cb 0.46 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3b4t n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3b4t n GLY 124 N -0.57 -0.64 2.23 0.27 0.00 -1.26 -1.45 105.19 103.78 3b4t n GLY 124 Ca 0.19 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 3b4t n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b4t n GLY 125 N 0.16 0.16 0.24 -0.02 0.00 -1.24 -4.79 105.19 99.71 3b4t n GLY 125 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3b4t n GLY 125 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3b4t h THR 126 N 0.00 1.29 -0.03 2.61 1.35 -1.93 -1.08 112.91 115.12 3b4t h THR 126 Ca -0.26 -1.49 -0.18 0.00 -0.55 0.00 0.00 66.41 63.94 3b4t h THR 126 Cb 1.11 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 3b4t h THR 126 CO 0.32 0.48 -0.76 0.08 -0.25 0.00 0.00 175.52 175.39 3b4t h ARG 127 N 0.52 0.23 0.05 4.72 0.11 -1.98 -0.30 114.38 117.74 3b4t h ARG 127 Ca 0.05 -0.21 -0.28 0.00 0.10 0.00 0.00 59.98 59.65 3b4t h ARG 127 Cb 0.85 0.05 0.02 0.00 1.11 0.00 0.00 29.97 32.00 3b4t h ARG 127 CO 0.07 0.89 -1.13 1.79 0.10 0.00 0.00 179.97 181.69 3b4t h THR 128 N 0.15 1.29 -0.59 0.08 1.35 -1.85 -1.93 112.91 111.41 3b4t h THR 128 Ca -0.03 -2.36 0.01 0.00 -0.55 0.00 0.00 66.41 63.48 3b4t h THR 128 Cb 1.33 2.52 -0.03 0.00 -1.73 0.00 0.00 68.15 70.24 3b4t h THR 128 CO 0.12 0.72 0.39 0.00 -0.25 0.00 0.00 175.52 176.50 3b4t h ALA 129 N 0.38 0.74 -0.52 6.62 0.00 -1.20 -1.55 119.26 123.73 3b4t h ALA 129 Ca -0.15 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3b4t h ALA 129 Cb 1.79 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 3b4t h ALA 129 CO 0.22 0.18 0.30 0.00 0.00 0.00 0.00 179.25 179.95 3b4t h ALA 130 N 1.21 0.66 -0.40 0.00 0.00 -1.00 -0.39 119.26 119.34 3b4t h ALA 130 Ca 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3b4t h ALA 130 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3b4t h ALA 130 CO -0.05 -0.01 0.14 0.82 0.00 0.00 0.00 179.25 180.15 3b4t h ILE 131 N 0.59 1.21 -0.72 0.00 2.04 -1.16 0.21 117.51 119.67 3b4t h ILE 131 Ca 0.21 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3b4t h ILE 131 Cb 0.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3b4t h ILE 131 CO -0.11 0.24 0.43 0.74 0.00 0.00 0.00 178.15 179.45 3b4t h THR 132 N 0.51 1.21 0.04 -0.27 2.02 -0.89 -2.20 112.91 113.33 3b4t h THR 132 Ca 0.13 -0.46 -0.24 0.00 0.77 0.00 0.00 66.41 66.61 3b4t h THR 132 Cb 0.23 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3b4t h THR 132 CO -0.01 0.22 -1.03 1.23 0.37 0.00 0.00 175.52 176.30 3b4t h GLY 133 N 0.99 0.40 1.58 2.16 0.00 -0.98 -3.23 103.07 103.98 3b4t h GLY 133 Ca 0.26 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3b4t h GLY 133 CO -0.05 0.69 0.27 0.00 0.00 0.00 0.00 176.54 177.45 3b4t h ALA 134 N 0.70 1.67 -0.55 3.60 0.00 -0.34 -2.11 119.26 122.23 3b4t h ALA 134 Ca -0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3b4t h ALA 134 Cb 1.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3b4t h ALA 134 CO 0.17 0.29 0.09 -0.92 0.00 0.00 0.00 179.25 178.89 3b4t h TYR 135 N 0.58 0.98 -0.57 0.00 3.20 -1.42 0.71 116.97 120.44 3b4t h TYR 135 Ca 0.15 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3b4t h TYR 135 Cb -0.04 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 3b4t h TYR 135 CO 0.00 0.86 0.30 0.28 -1.64 0.00 0.00 178.16 177.97 3b4t h VAL 136 N 0.81 1.19 -0.96 1.81 2.07 -1.52 0.46 116.25 120.11 3b4t h VAL 136 Ca 0.17 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3b4t h VAL 136 Cb 0.41 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3b4t h VAL 136 CO 0.01 0.21 0.64 0.00 0.02 0.00 0.00 177.57 178.45 3b4t h ALA 137 N 1.13 1.22 -0.76 1.67 0.00 -1.13 -1.42 119.26 119.97 3b4t h ALA 137 Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3b4t h ALA 137 Cb 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3b4t h ALA 137 CO -0.03 0.61 0.27 1.25 0.00 0.00 0.00 179.25 181.35 3b4t h LEU 138 N 1.30 1.08 -0.53 0.00 5.85 -0.22 -0.98 115.31 121.81 3b4t h LEU 138 Ca 0.35 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3b4t h LEU 138 Cb -0.15 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.57 3b4t h LEU 138 CO -0.08 0.98 0.31 0.00 -0.34 0.00 0.00 178.44 179.31 3b4t h ALA 139 N 1.14 0.67 -0.60 1.25 0.00 -0.28 -1.10 119.26 120.34 3b4t h ALA 139 Ca 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3b4t h ALA 139 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3b4t h ALA 139 CO -0.01 0.17 0.17 -0.44 0.00 0.00 0.00 179.25 179.13 3b4t h ASP 140 N 0.71 0.89 -0.92 0.00 3.32 -1.00 -0.02 116.42 119.40 3b4t h ASP 140 Ca 0.19 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3b4t h ASP 140 Cb 0.00 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3b4t h ASP 140 CO -0.03 0.88 0.59 0.00 -1.72 0.00 0.00 179.24 178.95 3b4t h ALA 141 N 1.05 1.17 -0.37 3.45 0.00 -0.92 0.12 119.26 123.76 3b4t h ALA 141 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3b4t h ALA 141 Cb 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3b4t h ALA 141 CO -0.00 0.60 0.01 0.28 0.00 0.00 0.00 179.25 180.14 3b4t h VAL 142 N 1.26 1.26 -0.90 0.00 2.07 -0.88 0.18 116.25 119.23 3b4t h VAL 142 Ca 0.33 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3b4t h VAL 142 Cb -0.10 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 3b4t h VAL 142 CO -0.07 0.32 0.54 0.74 0.02 0.00 0.00 177.57 179.13 3b4t h THR 143 N 0.46 0.96 0.10 2.57 2.02 -0.55 0.38 112.91 118.85 3b4t h THR 143 Ca 0.11 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3b4t h THR 143 Cb 0.44 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3b4t h THR 143 CO 0.02 0.17 -0.05 0.22 0.37 0.00 0.00 175.52 176.25 3b4t h TYR 144 N 0.92 -0.12 -0.60 3.16 3.20 -0.34 -1.95 116.97 121.24 3b4t h TYR 144 Ca 0.42 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.32 3b4t h TYR 144 Cb 0.33 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3b4t h TYR 144 CO -0.03 0.11 0.40 -0.07 -1.64 0.00 0.00 178.16 176.92 3b4t h LEU 145 N -0.34 0.60 -0.13 2.82 3.38 -0.65 -1.85 115.31 119.14 3b4t h LEU 145 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3b4t h LEU 145 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3b4t h LEU 145 CO 0.02 0.41 0.04 -1.28 0.09 0.00 0.00 178.44 177.72 3b4t h SER 146 N 0.70 0.19 -0.72 -0.43 0.87 -0.71 -1.16 113.55 112.27 3b4t h SER 146 Ca 0.24 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3b4t h SER 146 Cb 0.10 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 3b4t h SER 146 CO -0.07 0.35 0.44 0.00 -0.53 0.00 0.00 176.83 177.02 3b4t h ALA 147 N 0.85 0.97 0.00 6.23 0.00 -0.91 0.23 119.26 126.63 3b4t h ALA 147 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3b4t h ALA 147 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3b4t h ALA 147 CO -0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3b4t n ALA 148 N -2.34 2.47 -3.63 0.00 0.00 -0.74 -4.78 120.51 111.50 3b4t n ALA 148 Ca 0.09 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 3b4t n ALA 148 Cb 0.14 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.33 3b4t n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b4t n GLY 149 N 0.60 -1.05 0.00 0.00 0.00 0.07 -4.91 105.19 99.90 3b4t n GLY 149 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3b4t n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b4t n LYS 150 N -3.85 -0.58 -3.14 1.61 5.02 -0.53 -5.04 118.16 111.65 3b4t n LYS 150 Ca -0.10 -0.46 -0.39 0.00 -2.02 0.00 0.00 58.31 55.34 3b4t n LYS 150 Cb 0.59 -0.90 -0.05 0.00 -0.02 0.00 0.00 35.03 34.65 3b4t n LYS 150 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3b4t s LEU 151 N -0.05 4.37 0.39 -0.35 1.43 -1.26 -4.64 118.68 118.57 3b4t s LEU 151 Ca 0.00 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.35 3b4t s LEU 151 Cb 0.00 -2.98 0.79 0.00 0.03 0.00 0.00 46.19 44.03 3b4t s LEU 151 CO 0.00 0.01 1.93 -1.28 0.23 0.00 0.00 176.35 177.24 3b4t h SER 152 N 6.16 0.27 -4.02 2.29 0.87 -1.27 -3.43 113.55 114.42 3b4t h SER 152 Ca -0.43 -0.05 -0.29 0.00 -1.23 0.00 0.00 61.79 59.79 3b4t h SER 152 Cb 1.20 -0.07 -0.27 0.00 -0.44 0.00 0.00 62.40 62.82 3b4t h SER 152 CO 0.72 0.38 -0.74 -0.62 -0.53 0.00 0.00 176.83 176.04 3b4t s ASP 153 N -6.86 0.50 0.36 6.23 2.15 -0.38 -5.00 116.67 113.67 3b4t s ASP 153 Ca -0.06 -0.15 0.26 0.00 0.43 0.00 0.00 52.55 53.03 3b4t s ASP 153 Cb 0.16 -0.03 1.26 0.00 -0.30 0.00 0.00 42.92 44.00 3b4t s ASP 153 CO 0.73 0.00 1.79 1.55 -0.17 0.00 0.00 175.17 179.08 3b4t h PRO 154 N 5.80 0.00 -2.39 4.34 0.13 -1.87 -3.34 132.00 134.67 3b4t h PRO 154 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 3b4t h PRO 154 Cb 1.20 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 3b4t h PRO 154 CO 0.49 0.00 -0.91 0.54 -0.23 0.00 0.00 178.00 177.89 3b4t n ARG 155 N -2.43 0.74 0.20 0.86 1.74 -1.26 -4.94 116.66 111.57 3b4t n ARG 155 Ca 0.00 -3.51 0.05 0.00 -0.77 0.00 0.00 57.85 53.62 3b4t n ARG 155 Cb 0.15 -1.72 0.41 0.00 -1.02 0.00 0.00 32.46 30.28 3b4t n ARG 155 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3b4t h PRO 156 N 5.13 0.00 -6.02 5.56 0.11 -1.86 -3.43 132.00 131.49 3b4t h PRO 156 Ca 0.20 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.73 3b4t h PRO 156 Cb 0.86 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 3b4t h PRO 156 CO 0.48 0.34 0.58 -0.51 -0.21 0.00 0.00 178.00 178.68 3b4t s LEU 157 N -7.73 4.14 -0.01 2.35 1.43 -1.26 0.06 118.68 117.66 3b4t s LEU 157 Ca -0.02 1.28 0.20 0.00 -1.03 0.00 0.00 54.13 54.56 3b4t s LEU 157 Cb 0.13 -3.39 -0.24 0.00 0.03 0.00 0.00 46.19 42.73 3b4t s LEU 157 CO 0.69 -0.52 0.77 -1.54 0.23 0.00 0.00 176.35 175.98 3b4t n SER 158 N 5.71 0.81 -3.61 2.29 3.41 -0.31 -4.98 113.62 116.93 3b4t n SER 158 Ca 0.08 -0.77 -0.06 0.00 -0.26 0.00 0.00 58.87 57.86 3b4t n SER 158 Cb 0.48 1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 65.60 3b4t n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b4t s ALA 160 N -3.15 3.82 -0.11 0.00 0.00 -1.26 -4.81 121.76 116.25 3b4t s ALA 160 Ca 0.08 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3b4t s ALA 160 Cb -0.01 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 3b4t s ALA 160 CO -0.04 0.64 -0.14 0.42 0.00 0.00 0.00 175.76 176.64 3b4t s ILE 161 N -1.39 2.99 0.12 0.00 -1.09 -1.26 -2.46 121.20 118.10 3b4t s ILE 161 Ca 0.31 -0.70 -0.04 0.00 -2.23 0.00 0.00 60.65 57.99 3b4t s ILE 161 Cb -0.13 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 3b4t s ILE 161 CO 0.19 0.54 0.10 0.00 -1.23 0.00 0.00 174.94 174.54 3b4t s ALA 162 N 0.05 0.48 -0.02 9.38 0.00 -0.82 -4.62 121.76 126.20 3b4t s ALA 162 Ca -0.05 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 3b4t s ALA 162 Cb -0.15 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.72 3b4t s ALA 162 CO 0.04 -0.50 0.50 0.00 0.00 0.00 0.00 175.76 175.81 3b4t s ALA 163 N -3.98 -1.30 -0.05 0.00 0.00 -1.26 -1.24 121.76 113.93 3b4t s ALA 163 Ca 0.17 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 3b4t s ALA 163 Cb 0.06 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.30 3b4t s ALA 163 CO -0.03 -0.34 0.43 0.54 0.00 0.00 0.00 175.76 176.36 3b4t s VAL 164 N -1.42 0.03 0.45 0.00 0.11 -0.68 -4.51 120.40 114.38 3b4t s VAL 164 Ca -0.11 -0.26 -0.19 0.00 -2.93 0.00 0.00 61.98 58.49 3b4t s VAL 164 Cb -0.02 -0.72 -0.10 0.00 -1.53 0.00 0.00 36.38 34.02 3b4t s VAL 164 CO 0.06 -0.14 0.94 -0.94 -3.33 0.00 0.00 175.10 171.69 3b4t s SER 165 N -0.98 6.82 -0.06 3.54 1.04 -1.26 -1.51 113.70 121.29 3b4t s SER 165 Ca -0.10 1.61 -0.21 0.00 0.48 0.00 0.00 55.95 57.73 3b4t s SER 165 Cb -0.04 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.62 3b4t s SER 165 CO 0.05 -0.42 0.47 0.54 0.98 0.00 0.00 173.24 174.86 3b4t s VAL 166 N -2.31 0.03 0.00 5.02 0.11 0.14 0.02 120.40 123.42 3b4t s VAL 166 Ca 0.60 -0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 59.14 3b4t s VAL 166 Cb -0.09 -0.76 0.10 0.00 -1.53 0.00 0.00 36.38 34.10 3b4t s VAL 166 CO 0.19 -0.12 1.26 -0.83 -3.33 0.00 0.00 175.10 172.28 3b4t s GLY 167 N -0.96 -0.23 -0.33 6.54 0.00 -0.52 -0.16 107.32 111.66 3b4t s GLY 167 Ca -0.10 0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 3b4t s GLY 167 CO 0.05 3.07 0.47 0.14 0.00 0.00 0.00 173.10 176.83 3b4t s VAL 168 N -2.21 5.07 -0.06 1.40 1.01 0.90 -0.23 120.40 126.28 3b4t s VAL 168 Ca 0.22 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.57 3b4t s VAL 168 Cb 0.02 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3b4t s VAL 168 CO -0.02 -0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 174.15 3b4t s VAL 169 N 2.28 1.08 -1.47 2.92 1.01 0.12 -1.26 120.40 125.07 3b4t s VAL 169 Ca 0.17 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3b4t s VAL 169 Cb -0.16 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.30 3b4t s VAL 169 CO 0.12 0.34 0.82 0.47 0.00 0.00 0.00 175.10 176.85 3b4t n ASP 170 N 3.75 -4.90 0.00 3.32 8.00 -1.26 -1.57 116.55 123.89 3b4t n ASP 170 Ca -0.22 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.69 3b4t n ASP 170 Cb 0.52 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 3b4t n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b4t n GLY 171 N -1.56 0.45 3.16 0.44 0.00 -1.26 -5.01 105.19 101.41 3b4t n GLY 171 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3b4t n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b4t s ARG 172 N -0.36 1.02 -0.13 1.61 0.52 -0.61 -5.10 118.95 115.91 3b4t s ARG 172 Ca 0.00 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 3b4t s ARG 172 Cb 0.00 -1.05 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 3b4t s ARG 172 CO 0.00 0.26 1.14 0.42 0.02 0.00 0.00 175.30 177.14 3b4t s ILE 173 N -0.83 4.47 0.12 1.52 1.01 -1.26 0.11 121.20 126.33 3b4t s ILE 173 Ca 0.03 1.77 0.05 0.00 0.00 0.00 0.00 60.65 62.49 3b4t s ILE 173 Cb -0.08 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3b4t s ILE 173 CO 0.01 -0.06 -0.11 -0.13 0.00 0.00 0.00 174.94 174.64 3b4t s ARG 174 N 2.64 0.99 0.04 2.79 0.52 0.68 -4.75 118.95 121.85 3b4t s ARG 174 Ca 0.52 -1.29 0.09 0.00 -0.52 0.00 0.00 55.73 54.52 3b4t s ARG 174 Cb -0.21 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 3b4t s ARG 174 CO 0.16 0.11 -0.25 0.54 0.02 0.00 0.00 175.30 175.88 3b4t s VAL 175 N -2.66 2.22 -0.55 3.52 0.11 -0.88 -1.44 120.40 120.72 3b4t s VAL 175 Ca 0.11 -1.33 -0.05 0.00 -2.93 0.00 0.00 61.98 57.77 3b4t s VAL 175 Cb -0.02 -1.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 3b4t s VAL 175 CO 0.01 0.38 0.58 -0.67 -3.33 0.00 0.00 175.10 172.08 3b4t n ASP 176 N 1.81 -7.12 -4.69 3.54 2.03 0.10 -4.69 116.55 107.54 3b4t n ASP 176 Ca -0.17 0.13 -0.41 0.00 0.52 0.00 0.00 54.79 54.86 3b4t n ASP 176 Cb 0.52 -4.80 -0.04 0.00 -0.72 0.00 0.00 41.12 36.08 3b4t n ASP 176 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3b4t s LEU 177 N -3.27 4.25 1.10 -2.67 1.43 -1.26 -4.77 118.68 113.49 3b4t s LEU 177 Ca 0.08 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.32 3b4t s LEU 177 Cb -0.02 -3.31 0.25 0.00 0.03 0.00 0.00 46.19 43.14 3b4t s LEU 177 CO 0.66 -0.32 1.19 -2.84 0.23 0.00 0.00 176.35 175.27 3b4t s PRO 178 N 1.65 -0.45 0.16 1.29 0.02 -1.26 -3.67 135.00 132.74 3b4t s PRO 178 Ca 0.42 -0.19 -0.20 0.00 0.02 0.00 0.00 61.00 61.05 3b4t s PRO 178 Cb -0.18 -1.70 0.06 0.00 0.02 0.00 0.00 34.50 32.70 3b4t s PRO 178 CO 0.17 -3.18 1.64 -0.92 -0.33 0.00 0.00 177.00 174.38 3b4t h TYR 179 N -2.20 -0.52 -0.84 6.54 3.20 -1.56 -1.83 116.97 119.77 3b4t h TYR 179 Ca -0.45 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 3b4t h TYR 179 Cb 1.27 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.78 3b4t h TYR 179 CO -1.69 -0.28 0.41 0.93 -1.64 0.00 0.00 178.16 175.89 3b4t h GLU 180 N -0.17 1.20 -0.32 1.82 4.39 -1.93 -1.92 114.58 117.66 3b4t h GLU 180 Ca 0.16 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3b4t h GLU 180 Cb 0.42 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3b4t h GLU 180 CO -0.41 0.92 -0.24 0.93 -1.16 0.00 0.00 179.01 179.05 3b4t h GLU 181 N 1.19 0.73 -0.28 2.33 5.08 -1.87 -3.17 114.58 118.60 3b4t h GLU 181 Ca 0.29 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3b4t h GLU 181 Cb 0.10 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3b4t h GLU 181 CO -0.04 0.97 0.08 0.22 -1.00 0.00 0.00 179.01 179.24 3b4t h ASP 182 N 0.50 0.06 0.26 1.42 3.58 -0.96 0.00 116.42 121.29 3b4t h ASP 182 Ca 0.06 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3b4t h ASP 182 Cb 0.80 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.88 3b4t h ASP 182 CO 0.06 0.07 0.00 -1.54 -2.88 0.00 0.00 179.24 174.95 3b4t n SER 183 N -5.06 0.00 -0.00 2.28 3.41 -0.75 -2.06 113.62 111.44 3b4t n SER 183 Ca -0.01 0.44 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 3b4t n SER 183 Cb 0.11 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3b4t n SER 183 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3b4t n ARG 184 N -1.46 2.68 -1.95 4.33 0.63 -0.36 -5.02 116.66 115.50 3b4t n ARG 184 Ca 0.02 -0.03 -0.41 0.00 -0.92 0.00 0.00 57.85 56.51 3b4t n ARG 184 Cb 0.09 -1.05 -0.02 0.00 0.45 0.00 0.00 32.46 31.93 3b4t n ARG 184 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3b4t s ALA 185 N -2.17 3.67 0.10 5.13 0.00 -0.16 -4.70 121.76 123.64 3b4t s ALA 185 Ca 0.01 1.39 0.09 0.00 0.00 0.00 0.00 51.96 53.45 3b4t s ALA 185 Cb 0.07 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3b4t s ALA 185 CO 0.40 -0.81 1.35 1.05 0.00 0.00 0.00 175.76 177.76 3b4t h GLU 186 N 5.19 0.00 -2.98 0.00 4.11 -1.53 -3.44 114.58 115.93 3b4t h GLU 186 Ca -0.46 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.81 3b4t h GLU 186 Cb 1.22 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.19 3b4t h GLU 186 CO 0.80 0.87 -0.41 0.08 0.07 0.00 0.00 179.01 180.42 3b4t s VAL 187 N -2.86 -0.02 0.11 -1.06 1.01 -1.24 -4.62 120.40 111.72 3b4t s VAL 187 Ca 0.01 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 3b4t s VAL 187 Cb 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 3b4t s VAL 187 CO 0.80 0.03 0.18 1.51 0.00 0.00 0.00 175.10 177.62 3b4t s ASP 188 N 0.76 0.16 0.02 3.32 -4.77 -1.26 -0.07 116.67 114.82 3b4t s ASP 188 Ca -0.05 -0.80 -0.28 0.00 -3.30 0.00 0.00 52.55 48.12 3b4t s ASP 188 Cb -0.06 0.35 0.08 0.00 -1.09 0.00 0.00 42.92 42.20 3b4t s ASP 188 CO -0.05 -0.76 0.72 -0.32 0.70 0.00 0.00 175.17 175.46 3b4t s MET 189 N -3.91 1.05 -0.16 2.11 1.75 0.77 -1.93 119.30 118.98 3b4t s MET 189 Ca 0.10 -0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 3b4t s MET 189 Cb 0.05 0.49 0.00 0.00 2.84 0.00 0.00 34.83 38.21 3b4t s MET 189 CO -0.07 -0.40 -0.17 -0.80 -0.65 0.00 0.00 175.02 172.94 3b4t s ASN 190 N -1.91 3.49 -0.17 1.11 0.01 0.02 -0.68 114.94 116.81 3b4t s ASN 190 Ca -0.03 -0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 51.57 3b4t s ASN 190 Cb -0.01 -1.53 -0.02 0.00 0.41 0.00 0.00 41.25 40.11 3b4t s ASN 190 CO -0.02 0.07 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.88 3b4t s VAL 191 N 0.92 3.40 -0.16 1.60 1.01 -0.57 0.25 120.40 126.85 3b4t s VAL 191 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3b4t s VAL 191 Cb -0.15 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3b4t s VAL 191 CO -0.02 0.48 -0.04 -0.69 0.00 0.00 0.00 175.10 174.82 3b4t s VAL 192 N 0.80 3.76 0.15 2.92 1.01 0.12 -1.69 120.40 127.47 3b4t s VAL 192 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3b4t s VAL 192 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3b4t s VAL 192 CO 0.01 0.48 0.08 0.00 0.00 0.00 0.00 175.10 175.68 3b4t s ALA 193 N 0.55 0.87 0.33 5.51 0.00 -0.37 -0.98 121.76 127.68 3b4t s ALA 193 Ca -0.03 -1.48 0.08 0.00 0.00 0.00 0.00 51.96 50.52 3b4t s ALA 193 Cb -0.14 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3b4t s ALA 193 CO 0.03 -0.52 0.17 0.95 0.00 0.00 0.00 175.76 176.39 3b4t s THR 194 N -4.07 3.18 -1.93 0.00 -4.23 -0.36 -1.94 115.64 106.31 3b4t s THR 194 Ca 0.27 -1.62 0.30 0.00 -1.18 0.00 0.00 61.69 59.45 3b4t s THR 194 Cb 0.07 -3.03 0.64 0.00 1.34 0.00 0.00 72.50 71.52 3b4t s THR 194 CO 0.04 -0.19 1.98 -0.90 -0.54 0.00 0.00 174.62 175.01 3b4t n ASP 195 N -1.19 0.48 -2.04 3.99 3.85 -1.03 -3.60 116.55 117.00 3b4t n ASP 195 Ca -0.03 -0.88 -0.10 0.00 -0.71 0.00 0.00 54.79 53.08 3b4t n ASP 195 Cb 0.61 -0.05 0.28 0.00 -1.35 0.00 0.00 41.12 40.61 3b4t n ASP 195 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3b4t n THR 196 N -0.77 3.00 -2.68 2.12 -2.24 -1.26 -4.93 114.28 107.52 3b4t n THR 196 Ca 0.19 -1.72 -0.10 0.00 -2.27 0.00 0.00 64.05 60.15 3b4t n THR 196 Cb 0.23 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.10 3b4t n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b4t n GLY 197 N -0.37 0.16 3.22 3.38 0.00 -1.24 -5.04 105.19 105.30 3b4t n GLY 197 Ca 0.45 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3b4t n GLY 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b4t s THR 198 N -2.89 0.35 0.15 2.61 -4.23 -1.26 -5.03 115.64 105.34 3b4t s THR 198 Ca 0.16 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 3b4t s THR 198 Cb -0.07 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 3b4t s THR 198 CO 0.20 -0.32 0.17 -0.76 -0.54 0.00 0.00 174.62 173.37 3b4t s LEU 199 N -3.15 3.93 -0.06 4.79 1.43 -1.26 -1.22 118.68 123.14 3b4t s LEU 199 Ca 0.29 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3b4t s LEU 199 Cb 0.07 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 3b4t s LEU 199 CO 0.06 0.08 -0.07 0.52 0.23 0.00 0.00 176.35 177.17 3b4t n VAL 200 N -0.32 0.36 -3.58 -1.59 0.31 -0.15 -4.86 118.33 108.50 3b4t n VAL 200 Ca -0.08 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3b4t n VAL 200 Cb 0.54 -1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 3b4t n VAL 200 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3b4t s GLU 201 N -2.12 0.60 -0.15 5.55 2.12 -1.08 -5.00 118.70 118.62 3b4t s GLU 201 Ca -0.09 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.48 3b4t s GLU 201 Cb 0.03 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.71 3b4t s GLU 201 CO 0.14 -0.17 -0.20 0.42 -0.54 0.00 0.00 175.26 174.91 3b4t s ILE 202 N -0.91 2.25 0.02 -3.70 1.01 -1.26 0.15 121.20 118.76 3b4t s ILE 202 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3b4t s ILE 202 Cb -0.01 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 3b4t s ILE 202 CO 0.01 0.54 -0.03 -1.58 0.00 0.00 0.00 174.94 173.87 3b4t s GLN 203 N 0.89 0.28 -0.66 2.79 -0.44 0.14 -4.96 119.66 117.70 3b4t s GLN 203 Ca -0.05 -0.47 -0.02 0.00 -2.50 0.00 0.00 55.36 52.33 3b4t s GLN 203 Cb -0.15 -0.00 -0.02 0.00 -1.64 0.00 0.00 33.01 31.20 3b4t s GLN 203 CO -0.03 -0.02 0.60 0.41 0.50 0.00 0.00 175.29 176.76 3b4t n GLY 204 N 2.00 -0.89 3.76 2.59 0.00 -1.26 -0.80 105.19 110.59 3b4t n GLY 204 Ca -0.20 0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3b4t n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b4t s THR 205 N -3.12 2.23 0.53 2.61 2.01 -1.26 -4.38 115.64 114.27 3b4t s THR 205 Ca 0.14 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.11 3b4t s THR 205 Cb -0.02 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 3b4t s THR 205 CO 0.57 0.01 1.36 -0.83 -0.69 0.00 0.00 174.62 175.04 3b4t s GLY 206 N -0.80 2.89 -0.18 4.40 0.00 -0.81 -4.87 107.32 107.95 3b4t s GLY 206 Ca 0.65 1.33 -0.35 0.00 0.00 0.00 0.00 44.72 46.35 3b4t s GLY 206 CO 0.50 1.85 1.92 -2.21 0.00 0.00 0.00 173.10 175.16 3b4t n GLU 207 N -0.92 1.78 -0.46 2.90 4.07 -1.26 -2.58 120.64 124.18 3b4t n GLU 207 Ca 0.10 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.82 3b4t n GLU 207 Cb 0.45 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 3b4t n GLU 207 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3b4t n GLY 208 N 4.78 0.76 3.51 8.31 0.00 -1.26 -5.06 105.19 116.23 3b4t n GLY 208 Ca 0.27 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3b4t n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4t s ALA 209 N -2.00 2.76 -0.01 4.61 0.00 -1.06 -5.11 121.76 120.94 3b4t s ALA 209 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.06 3b4t s ALA 209 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3b4t s ALA 209 CO 0.00 0.56 -0.18 0.95 0.00 0.00 0.00 175.76 177.09 3b4t s THR 210 N -0.74 1.41 0.17 0.00 -4.23 -1.26 -4.87 115.64 106.12 3b4t s THR 210 Ca 0.11 -0.77 0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3b4t s THR 210 Cb -0.11 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 3b4t s THR 210 CO 0.01 0.39 -0.21 0.72 -0.54 0.00 0.00 174.62 174.99 3b4t s PHE 211 N -0.43 2.07 0.55 3.99 -0.71 -1.26 -5.09 117.98 117.10 3b4t s PHE 211 Ca 0.07 -0.41 -0.05 0.00 -1.04 0.00 0.00 56.93 55.50 3b4t s PHE 211 Cb -0.07 -1.03 -0.00 0.00 -1.21 0.00 0.00 43.02 40.70 3b4t s PHE 211 CO -0.01 0.41 0.84 0.00 -1.34 0.00 0.00 175.22 175.12 3b4t s ALA 212 N -1.78 3.39 0.22 1.99 0.00 -1.26 -4.94 121.76 119.38 3b4t s ALA 212 Ca 0.18 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 3b4t s ALA 212 Cb -0.07 -2.54 0.24 0.00 0.00 0.00 0.00 23.12 20.75 3b4t s ALA 212 CO 0.08 -0.64 1.84 0.00 0.00 0.00 0.00 175.76 177.04 3b4t h ARG 213 N -0.00 0.83 -0.56 0.00 2.47 -2.00 -0.94 114.38 114.17 3b4t h ARG 213 Ca -0.46 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3b4t h ARG 213 Cb 1.24 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.35 3b4t h ARG 213 CO 0.60 0.55 0.34 0.66 0.56 0.00 0.00 179.97 182.68 3b4t h SER 214 N 0.85 0.68 -0.72 7.04 4.64 -1.99 -0.77 113.55 123.27 3b4t h SER 214 Ca 0.31 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 3b4t h SER 214 Cb 0.10 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 3b4t h SER 214 CO -0.14 0.54 0.36 0.74 -0.87 0.00 0.00 176.83 177.46 3b4t h THR 215 N 0.76 1.23 -0.41 2.95 2.02 -1.83 -1.92 112.91 115.71 3b4t h THR 215 Ca 0.20 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.76 3b4t h THR 215 Cb -0.02 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3b4t h THR 215 CO -0.04 0.27 0.26 0.25 0.37 0.00 0.00 175.52 176.63 3b4t h LEU 216 N 1.01 0.44 -0.79 2.58 5.85 -0.64 -0.45 115.31 123.31 3b4t h LEU 216 Ca 0.25 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3b4t h LEU 216 Cb 0.09 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3b4t h LEU 216 CO -0.03 0.32 0.48 0.44 -0.34 0.00 0.00 178.44 179.31 3b4t h ASP 217 N 0.53 0.95 -0.43 1.25 3.32 -0.85 0.34 116.42 121.53 3b4t h ASP 217 Ca 0.15 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3b4t h ASP 217 Cb -0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3b4t h ASP 217 CO -0.05 0.73 -0.08 0.11 -1.72 0.00 0.00 179.24 178.23 3b4t h LYS 218 N 1.08 0.81 -0.84 3.56 1.57 -1.03 -0.88 116.57 120.85 3b4t h LYS 218 Ca 0.29 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3b4t h LYS 218 Cb -0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3b4t h LYS 218 CO -0.05 0.92 0.56 -0.07 -0.57 0.00 0.00 179.45 180.23 3b4t h LEU 219 N 0.64 0.96 0.05 2.94 3.38 -0.73 -1.94 115.31 120.62 3b4t h LEU 219 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3b4t h LEU 219 Cb 0.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3b4t h LEU 219 CO 0.04 0.70 -0.02 -0.07 0.09 0.00 0.00 178.44 179.17 3b4t h LEU 220 N 1.14 -0.06 -0.74 1.67 3.38 -0.74 -1.27 115.31 118.70 3b4t h LEU 220 Ca 0.31 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.17 3b4t h LEU 220 Cb -0.13 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.50 3b4t h LEU 220 CO -0.07 0.24 -0.15 0.44 0.09 0.00 0.00 178.44 178.99 3b4t h ASP 221 N -0.36 -0.62 0.37 -0.43 3.32 -1.02 -0.00 116.42 117.68 3b4t h ASP 221 Ca -0.01 0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3b4t h ASP 221 Cb 0.32 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3b4t h ASP 221 CO 0.01 -0.23 -0.18 -0.03 -1.72 0.00 0.00 179.24 177.09 3b4t h MET 222 N 0.02 -0.48 -0.86 3.56 4.05 -1.23 -2.58 114.93 117.40 3b4t h MET 222 Ca 0.36 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.87 3b4t h MET 222 Cb 0.57 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.42 3b4t h MET 222 CO -0.74 -0.25 0.55 0.00 0.23 0.00 0.00 176.91 176.70 3b4t h ALA 223 N -0.01 1.17 -0.17 0.39 0.00 -0.95 -2.17 119.26 117.52 3b4t h ALA 223 Ca -0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3b4t h ALA 223 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3b4t h ALA 223 CO 0.08 0.33 -0.38 -0.07 0.00 0.00 0.00 179.25 179.22 3b4t h LEU 224 N 1.02 0.38 -0.07 0.00 3.38 -0.97 0.05 115.31 119.11 3b4t h LEU 224 Ca 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3b4t h LEU 224 Cb 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3b4t h LEU 224 CO -0.15 0.73 0.04 1.23 0.09 0.00 0.00 178.44 180.39 3b4t h GLY 225 N 1.14 0.10 1.32 0.83 0.00 -1.01 -2.75 103.07 102.69 3b4t h GLY 225 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 3b4t h GLY 225 CO 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 176.54 176.62 3b4t h ALA 226 N 0.99 1.05 -0.82 3.60 0.00 -1.07 -2.77 119.26 120.24 3b4t h ALA 226 Ca 0.02 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3b4t h ALA 226 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3b4t h ALA 226 CO -0.00 0.59 0.54 0.00 0.00 0.00 0.00 179.25 180.38 3b4t h ASP 228 N 1.06 0.81 -0.22 0.00 3.32 -1.19 0.19 116.42 120.39 3b4t h ASP 228 Ca 0.31 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 3b4t h ASP 228 Cb -0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3b4t h ASP 228 CO -0.08 0.40 -0.07 0.74 -1.72 0.00 0.00 179.24 178.52 3b4t h THR 229 N 0.88 1.22 -0.28 0.35 2.02 -1.24 -2.68 112.91 113.17 3b4t h THR 229 Ca 0.49 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 3b4t h THR 229 Cb 0.55 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3b4t h THR 229 CO -0.29 0.32 -0.28 -0.07 0.37 0.00 0.00 175.52 175.57 3b4t h LEU 230 N 0.53 0.74 -1.30 2.58 3.38 -0.23 -2.24 115.31 118.77 3b4t h LEU 230 Ca 0.10 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3b4t h LEU 230 Cb 0.44 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3b4t h LEU 230 CO 0.02 1.05 0.49 -0.26 0.09 0.00 0.00 178.44 179.84 3b4t h PHE 231 N 0.43 0.88 -0.30 1.13 0.04 -0.78 0.22 116.94 118.57 3b4t h PHE 231 Ca 0.05 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 3b4t h PHE 231 Cb 0.84 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3b4t h PHE 231 CO 0.07 0.52 -0.14 0.00 -0.60 0.00 0.00 178.31 178.16 3b4t h ALA 232 N 1.56 0.41 -0.92 2.45 0.00 -1.35 -0.10 119.26 121.32 3b4t h ALA 232 Ca 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3b4t h ALA 232 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3b4t h ALA 232 CO -0.08 0.30 0.56 0.00 0.00 0.00 0.00 179.25 180.02 3b4t h ALA 233 N 0.76 1.26 -0.33 0.00 0.00 -0.80 -0.16 119.26 119.99 3b4t h ALA 233 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3b4t h ALA 233 Cb 0.65 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3b4t h ALA 233 CO 0.04 0.64 0.09 1.96 0.00 0.00 0.00 179.25 181.98 3b4t h GLN 234 N 1.26 0.52 -0.74 0.00 4.20 -0.74 -2.21 115.11 117.40 3b4t h GLN 234 Ca 0.33 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3b4t h GLN 234 Cb -0.07 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 3b4t h GLN 234 CO -0.06 0.57 0.42 0.00 -0.67 0.00 0.00 178.83 179.09 3b4t h ARG 235 N 0.37 1.02 -0.30 1.46 3.08 -0.56 -0.62 114.38 118.84 3b4t h ARG 235 Ca 0.10 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3b4t h ARG 235 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3b4t h ARG 235 CO -0.00 0.75 0.19 -0.44 -1.07 0.00 0.00 179.97 179.40 3b4t h ASP 236 N 1.02 0.36 -0.23 7.04 3.32 -0.92 -0.46 116.42 126.55 3b4t h ASP 236 Ca 0.26 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 3b4t h ASP 236 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3b4t h ASP 236 CO -0.04 0.29 -0.21 0.00 -1.72 0.00 0.00 179.24 177.55 3b4t h ALA 237 N 1.08 0.96 0.00 3.45 0.00 -1.17 -2.85 119.26 120.74 3b4t h ALA 237 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3b4t h ALA 237 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3b4t h ALA 237 CO -0.02 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 3b4t h LEU 238 N 0.60 0.00 -1.37 0.00 3.38 -0.90 -3.08 115.31 113.94 3b4t h LEU 238 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3b4t h LEU 238 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3b4t h LEU 238 CO 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.46 3b4t h ALA 239 N 2.23 1.04 -2.35 1.53 0.00 -0.83 -3.44 119.26 117.43 3b4t h ALA 239 Ca 0.00 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.31 3b4t h ALA 239 Cb 0.80 -0.02 0.13 0.00 0.00 0.00 0.00 17.79 18.70 3b4t h ALA 239 CO 0.00 0.15 0.29 -0.51 0.00 0.00 0.00 179.25 179.18 3b4t s LEU 240 N -6.58 2.57 0.53 0.00 1.43 -1.17 -5.00 118.68 110.45 3b4t s LEU 240 Ca 0.00 1.53 -0.20 0.00 -1.03 0.00 0.00 54.13 54.43 3b4t s LEU 240 Cb 0.10 -4.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 3b4t s LEU 240 CO 0.59 -2.27 1.19 -2.84 0.23 0.00 0.00 176.35 173.25 3b4t s PRO 241 N -4.99 3.33 0.01 1.29 0.02 -1.26 -4.93 135.00 128.47 3b4t s PRO 241 Ca 0.62 1.79 -0.33 0.00 0.02 0.00 0.00 61.00 63.10 3b4t s PRO 241 Cb -0.17 -2.13 -0.12 0.00 0.02 0.00 0.00 34.50 32.11 3b4t s PRO 241 CO 0.56 -0.91 1.81 0.98 -0.33 0.00 0.00 177.00 179.12 3b4t n TYR 242 N -1.12 2.36 -1.46 6.54 9.36 -1.26 -4.85 117.16 126.73 3b4t n TYR 242 Ca 0.11 0.01 -0.40 0.00 3.32 0.00 0.00 57.90 60.94 3b4t n TYR 242 Cb 0.49 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.53 3b4t n TYR 242 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3b4t n PRO 243 N 5.82 2.89 -2.18 2.98 -0.02 -1.26 -4.79 135.00 138.45 3b4t n PRO 243 Ca 0.21 -2.31 0.00 0.00 -2.02 0.00 0.00 63.50 59.38 3b4t n PRO 243 Cb 0.31 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.75 3b4t n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b4t n GLY 244 N 3.97 -0.59 3.21 -1.23 0.00 -1.26 -4.70 105.19 104.59 3b4t n GLY 244 Ca 0.59 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3b4t n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b4t s VAL 245 N -3.36 3.30 0.33 1.61 1.01 -1.26 -5.09 120.40 116.95 3b4t s VAL 245 Ca 0.00 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 3b4t s VAL 245 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.39 3b4t s VAL 245 CO 0.00 -0.14 1.36 -0.76 0.00 0.00 0.00 175.10 175.56 3b4t s LEU 246 N 1.31 4.40 0.00 3.92 1.43 -1.26 -5.16 118.68 123.32 3b4t s LEU 246 Ca -0.04 2.76 0.04 0.00 -1.03 0.00 0.00 54.13 55.87 3b4t s LEU 246 Cb -0.20 -3.65 0.27 0.00 0.03 0.00 0.00 46.19 42.64 3b4t s LEU 246 CO 0.00 -0.63 0.74 -2.65 0.23 0.00 0.00 176.35 174.05