#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4s h GLN 2 N 0.00 0.62 -0.63 0.00 -0.00 -2.05 -1.41 115.11 111.65 1a4s h GLN 2 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1a4s h GLN 2 Cb 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.51 1a4s h GLN 2 CO 0.00 1.04 0.41 1.25 -0.00 0.00 0.00 178.83 181.53 1a4s h LEU 3 N 0.47 0.72 -0.38 0.06 5.85 -2.00 -1.50 115.31 118.53 1a4s h LEU 3 Ca -0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1a4s h LEU 3 Cb 1.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1a4s h LEU 3 CO 0.12 0.53 0.16 0.58 -0.34 0.00 0.00 178.44 179.49 1a4s h VAL 4 N 0.85 1.19 0.00 1.05 2.07 -1.91 -1.76 116.25 117.73 1a4s h VAL 4 Ca 0.23 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1a4s h VAL 4 Cb -0.09 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1a4s h VAL 4 CO -0.05 0.21 -0.06 0.44 0.02 0.00 0.00 177.57 178.13 1a4s h ASP 5 N 0.47 0.00 -0.06 0.57 3.32 -0.93 -2.34 116.42 117.45 1a4s h ASP 5 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1a4s h ASP 5 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1a4s h ASP 5 CO -0.01 0.06 0.00 -1.54 -1.72 0.00 0.00 179.24 176.03 1a4s n SER 6 N -3.55 0.60 -0.07 6.45 3.41 -0.59 -4.42 113.62 115.45 1a4s n SER 6 Ca -0.02 -1.52 -0.06 0.00 -0.26 0.00 0.00 58.87 57.01 1a4s n SER 6 Cb 0.18 -0.04 0.13 0.00 -0.26 0.00 0.00 64.21 64.22 1a4s n SER 6 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1a4s h MET 7 N 0.80 0.72 -0.83 4.33 2.86 -1.32 -2.93 114.93 118.55 1a4s h MET 7 Ca 0.00 -0.26 0.23 0.00 -2.06 0.00 0.00 59.70 57.61 1a4s h MET 7 Cb 0.17 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1a4s h MET 7 CO 0.00 0.85 0.58 -1.35 1.06 0.00 0.00 176.91 178.05 1a4s h PRO 8 N 0.64 0.10 -0.65 -0.22 0.11 -1.83 0.19 132.00 130.34 1a4s h PRO 8 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1a4s h PRO 8 Cb 0.65 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1a4s h PRO 8 CO 0.05 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 176.77 1a4s n SER 9 N -4.35 3.79 -4.95 -2.05 3.41 -1.11 -4.99 113.62 103.37 1a4s n SER 9 Ca 0.17 -2.00 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 1a4s n SER 9 Cb 0.83 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1a4s n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4s s ALA 10 N -1.05 3.74 0.26 7.33 0.00 0.67 -5.11 121.76 127.60 1a4s s ALA 10 Ca 0.45 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 1a4s s ALA 10 Cb 0.24 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1a4s s ALA 10 CO 0.31 -0.26 0.55 -1.54 0.00 0.00 0.00 175.76 174.82 1a4s s SER 11 N -4.16 -0.13 0.34 0.00 1.04 -1.26 -5.04 113.70 104.48 1a4s s SER 11 Ca 0.46 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 1a4s s SER 11 Cb -0.10 0.63 -0.11 0.00 0.10 0.00 0.00 66.02 66.55 1a4s s SER 11 CO 0.37 -1.21 1.45 -0.89 0.98 0.00 0.00 173.24 173.95 1a4s s THR 12 N -3.97 2.28 0.00 2.02 2.01 -1.26 -2.11 115.64 114.61 1a4s s THR 12 Ca 0.19 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1a4s s THR 12 Cb -0.02 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1a4s s THR 12 CO 0.09 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1a4s n GLY 13 N 0.92 1.63 0.02 4.40 0.00 -1.26 -4.90 105.19 106.01 1a4s n GLY 13 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1a4s n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a4s n SER 14 N 0.00 0.04 -4.84 1.61 3.41 -0.90 -5.00 113.62 107.94 1a4s n SER 14 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1a4s n SER 14 Cb 0.00 1.85 -0.06 0.00 -0.26 0.00 0.00 64.21 65.74 1a4s n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1a4s s VAL 15 N -3.36 4.78 -0.00 -3.33 1.01 -1.26 -4.98 120.40 113.25 1a4s s VAL 15 Ca -0.08 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1a4s s VAL 15 Cb 0.13 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1a4s s VAL 15 CO 0.89 0.13 -0.13 0.54 0.00 0.00 0.00 175.10 176.54 1a4s s VAL 16 N -1.60 1.01 -0.21 2.92 0.11 -1.26 -4.84 120.40 116.53 1a4s s VAL 16 Ca 0.42 -0.60 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 1a4s s VAL 16 Cb -0.14 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1a4s s VAL 16 CO 0.20 0.24 0.08 -0.69 -3.33 0.00 0.00 175.10 171.59 1a4s s VAL 17 N -0.38 4.66 -0.03 2.04 1.01 0.47 -4.97 120.40 123.20 1a4s s VAL 17 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1a4s s VAL 17 Cb -0.05 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1a4s s VAL 17 CO -0.00 0.40 0.79 0.35 0.00 0.00 0.00 175.10 176.63 1a4s n THR 18 N 4.18 0.56 -2.40 3.92 -2.24 -1.26 -4.57 114.28 112.46 1a4s n THR 18 Ca -0.16 -0.78 -0.32 0.00 -2.27 0.00 0.00 64.05 60.52 1a4s n THR 18 Cb 0.52 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1a4s n THR 18 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a4s s ASP 19 N -0.57 6.62 0.23 3.42 1.01 -1.26 -5.02 116.67 121.10 1a4s s ASP 19 Ca 0.01 1.56 -0.30 0.00 0.71 0.00 0.00 52.55 54.52 1a4s s ASP 19 Cb 0.00 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1a4s s ASP 19 CO 0.00 -0.59 1.14 -1.81 0.21 0.00 0.00 175.17 174.13 1a4s s ASP 20 N -3.09 7.18 0.00 0.27 1.01 -1.26 -4.96 116.67 115.82 1a4s s ASP 20 Ca 0.59 2.24 0.19 0.00 0.71 0.00 0.00 52.55 56.28 1a4s s ASP 20 Cb -0.10 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.28 1a4s s ASP 20 CO 0.32 -0.26 1.02 0.18 0.21 0.00 0.00 175.17 176.64 1a4s n LEU 21 N 1.85 2.16 -4.83 1.23 4.77 -1.26 -4.73 117.00 116.19 1a4s n LEU 21 Ca 0.02 -0.87 -0.36 0.00 -0.03 0.00 0.00 56.01 54.76 1a4s n LEU 21 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1a4s n LEU 21 CO 0.55 0.39 0.28 0.20 -1.33 0.00 0.00 177.39 177.47 1a4s s ASN 22 N -1.87 6.92 -0.25 -1.43 0.01 -1.26 -4.72 114.94 112.35 1a4s s ASN 22 Ca 0.19 1.19 -0.02 0.00 -0.71 0.00 0.00 52.86 53.50 1a4s s ASN 22 Cb 0.15 -2.33 0.13 0.00 0.41 0.00 0.00 41.25 39.62 1a4s s ASN 22 CO 0.36 0.13 0.37 -0.47 -1.51 0.00 0.00 177.10 175.98 1a4s s TYR 23 N -1.40 -0.81 0.11 2.20 5.04 -0.36 -0.52 117.35 121.61 1a4s s TYR 23 Ca 0.37 0.73 -0.14 0.00 -2.44 0.00 0.00 57.07 55.59 1a4s s TYR 23 Cb -0.16 -0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.15 1a4s s TYR 23 CO 0.19 -0.74 0.34 1.67 -1.34 0.00 0.00 175.55 175.67 1a4s s TRP 24 N 2.53 -0.11 -0.85 4.97 -2.14 -1.00 -0.08 118.94 122.26 1a4s s TRP 24 Ca 0.12 -0.23 0.00 0.00 2.66 0.00 0.00 56.10 58.66 1a4s s TRP 24 Cb -0.15 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.39 1a4s s TRP 24 CO -0.17 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 173.88 1a4s n GLY 25 N -0.13 0.52 2.21 3.67 0.00 -1.26 -2.61 105.19 107.59 1a4s n GLY 25 Ca -0.16 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1a4s n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4s n GLY 26 N -1.44 -0.04 3.50 -0.02 0.00 -1.26 -4.69 105.19 101.25 1a4s n GLY 26 Ca -0.10 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1a4s n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a4s s ARG 27 N -4.49 0.97 0.23 1.61 1.70 -1.07 -5.02 118.95 112.87 1a4s s ARG 27 Ca 0.00 -0.05 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 1a4s s ARG 27 Cb 0.00 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 1a4s s ARG 27 CO 0.00 -0.36 1.25 1.03 -1.08 0.00 0.00 175.30 176.14 1a4s s ARG 28 N -2.16 4.45 -0.26 3.89 0.52 -1.26 -2.37 118.95 121.76 1a4s s ARG 28 Ca -0.03 2.00 -0.12 0.00 -0.52 0.00 0.00 55.73 57.06 1a4s s ARG 28 Cb -0.01 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 1a4s s ARG 28 CO -0.01 -0.13 0.22 0.42 0.02 0.00 0.00 175.30 175.82 1a4s s ILE 29 N -0.33 5.31 -0.14 1.52 -1.09 0.32 -4.96 121.20 121.83 1a4s s ILE 29 Ca 0.53 0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 58.92 1a4s s ILE 29 Cb -0.35 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1a4s s ILE 29 CO 0.41 0.28 1.71 -0.54 -1.23 0.00 0.00 174.94 175.57 1a4s s LYS 30 N 1.48 3.90 0.80 2.79 3.01 -1.26 -4.44 119.74 126.01 1a4s s LYS 30 Ca 0.09 1.96 -0.13 0.00 -1.01 0.00 0.00 55.97 56.88 1a4s s LYS 30 Cb -0.15 -4.06 0.08 0.00 -1.01 0.00 0.00 37.83 32.69 1a4s s LYS 30 CO 0.08 -1.18 1.18 -1.54 0.51 0.00 0.00 175.35 174.41 1a4s s SER 31 N 4.29 3.76 0.05 2.83 1.04 -1.26 -5.03 113.70 119.38 1a4s s SER 31 Ca 0.76 2.28 -0.04 0.00 0.48 0.00 0.00 55.95 59.43 1a4s s SER 31 Cb -0.30 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.25 1a4s s SER 31 CO 0.31 -2.55 0.18 1.17 0.98 0.00 0.00 173.24 173.33 1a4s n LYS 32 N -3.29 0.16 0.00 4.02 3.00 -1.26 -4.96 118.16 115.83 1a4s n LYS 32 Ca 0.13 -0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1a4s n LYS 32 Cb 0.51 0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.98 1a4s n LYS 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1a4s n ASP 33 N -0.87 0.00 -3.29 3.14 2.03 -1.26 -3.55 116.55 112.75 1a4s n ASP 33 Ca -0.01 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.10 1a4s n ASP 33 Cb 0.11 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.59 1a4s n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a4s n GLY 34 N -1.35 -0.38 3.75 0.27 0.00 -1.26 -4.95 105.19 101.27 1a4s n GLY 34 Ca 0.00 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1a4s n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4s s ALA 35 N -3.30 2.79 -0.05 4.61 0.00 -1.23 -4.83 121.76 119.75 1a4s s ALA 35 Ca 0.41 1.27 -0.32 0.00 0.00 0.00 0.00 51.96 53.32 1a4s s ALA 35 Cb -0.18 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1a4s s ALA 35 CO 0.66 -1.31 1.95 2.41 0.00 0.00 0.00 175.76 179.47 1a4s n THR 36 N -1.07 0.65 -2.34 0.00 -1.04 -1.26 -4.96 114.28 104.26 1a4s n THR 36 Ca 0.11 -0.14 -0.25 0.00 -2.04 0.00 0.00 64.05 61.72 1a4s n THR 36 Cb 0.46 -2.11 0.10 0.00 -1.82 0.00 0.00 70.33 66.96 1a4s n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1a4s s THR 37 N 4.57 2.21 0.01 12.58 -4.23 -1.26 -4.61 115.64 124.91 1a4s s THR 37 Ca 0.92 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 1a4s s THR 37 Cb -0.56 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.44 1a4s s THR 37 CO 0.47 0.00 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.89 1a4s s GLU 38 N -5.28 0.38 0.39 3.99 0.41 -0.62 -4.92 118.70 113.05 1a4s s GLU 38 Ca 0.65 -0.35 -0.25 0.00 -0.41 0.00 0.00 54.97 54.61 1a4s s GLU 38 Cb -0.07 -0.27 -0.09 0.00 -1.78 0.00 0.00 34.13 31.92 1a4s s GLU 38 CO 0.45 0.07 1.08 -1.25 -0.49 0.00 0.00 175.26 175.12 1a4s s PRO 39 N -0.61 4.18 -0.12 0.39 0.04 -1.26 0.10 135.00 137.73 1a4s s PRO 39 Ca -0.03 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.65 1a4s s PRO 39 Cb -0.05 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.86 1a4s s PRO 39 CO -0.00 -0.15 -0.22 0.14 0.04 0.00 0.00 177.00 176.81 1a4s s VAL 40 N -1.55 2.01 0.21 -0.36 -7.23 -0.35 -4.82 120.40 108.31 1a4s s VAL 40 Ca 0.56 -0.97 0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1a4s s VAL 40 Cb -0.25 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1a4s s VAL 40 CO 0.31 0.55 0.11 -0.36 -0.31 0.00 0.00 175.10 175.40 1a4s s PHE 41 N 0.59 3.02 -0.37 2.82 0.08 -1.26 0.02 117.98 122.87 1a4s s PHE 41 Ca -0.13 -0.10 -0.16 0.00 0.12 0.00 0.00 56.93 56.66 1a4s s PHE 41 Cb -0.17 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1a4s s PHE 41 CO 0.04 0.53 0.41 -2.00 -0.10 0.00 0.00 175.22 174.10 1a4s s GLU 42 N -3.37 3.40 0.38 0.44 2.12 -0.45 -4.71 118.70 116.50 1a4s s GLU 42 Ca 0.31 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 55.22 1a4s s GLU 42 Cb -0.09 -3.86 0.77 0.00 0.26 0.00 0.00 34.13 31.20 1a4s s GLU 42 CO 0.22 -0.66 1.92 -1.35 -0.54 0.00 0.00 175.26 174.85 1a4s h PRO 43 N 8.56 0.30 0.00 4.30 0.11 -1.80 0.24 132.00 143.71 1a4s h PRO 43 Ca -0.28 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1a4s h PRO 43 Cb 1.13 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1a4s h PRO 43 CO 0.74 0.40 -0.12 0.00 -0.21 0.00 0.00 178.00 178.81 1a4s h ALA 44 N 1.63 1.10 0.00 -0.75 0.00 -1.88 -0.87 119.26 118.49 1a4s h ALA 44 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a4s h ALA 44 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a4s h ALA 44 CO 0.02 0.15 -0.54 0.25 0.00 0.00 0.00 179.25 179.13 1a4s n THR 45 N -3.37 0.00 -0.51 0.00 -2.24 -1.00 -3.95 114.28 103.21 1a4s n THR 45 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1a4s n THR 45 Cb 0.31 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1a4s n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a4s n GLY 46 N 1.56 0.75 3.81 3.38 0.00 0.79 -3.59 105.19 111.89 1a4s n GLY 46 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1a4s n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a4s s ARG 47 N -0.49 3.34 -0.18 1.61 0.52 -1.25 -4.75 118.95 117.76 1a4s s ARG 47 Ca 0.00 1.16 -0.23 0.00 -0.52 0.00 0.00 55.73 56.13 1a4s s ARG 47 Cb 0.00 -2.04 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 1a4s s ARG 47 CO 0.00 -0.78 0.75 0.08 0.02 0.00 0.00 175.30 175.36 1a4s s VAL 48 N -2.53 4.94 0.01 3.52 1.01 -1.26 -1.35 120.40 124.74 1a4s s VAL 48 Ca 0.63 1.44 0.05 0.00 0.00 0.00 0.00 61.98 64.10 1a4s s VAL 48 Cb -0.15 -4.06 -0.24 0.00 0.00 0.00 0.00 36.38 31.93 1a4s s VAL 48 CO 0.38 0.06 0.86 -0.07 0.00 0.00 0.00 175.10 176.33 1a4s h LEU 49 N 8.28 0.14 0.00 3.92 3.38 -0.73 -3.48 115.31 126.82 1a4s h LEU 49 Ca -0.30 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1a4s h LEU 49 Cb 1.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1a4s h LEU 49 CO 0.81 1.19 0.00 0.00 0.09 0.00 0.00 178.44 180.53 1a4s s GLN 51 N -2.00 2.78 -0.09 0.00 -1.52 -1.26 -1.22 119.66 116.36 1a4s s GLN 51 Ca 0.00 -0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 52.72 1a4s s GLN 51 Cb 0.00 -2.65 -0.05 0.00 -0.22 0.00 0.00 33.01 30.09 1a4s s GLN 51 CO 0.00 0.65 0.28 0.00 -0.25 0.00 0.00 175.29 175.97 1a4s s MET 52 N -1.23 3.86 -0.33 2.91 0.23 0.28 -4.87 119.30 120.16 1a4s s MET 52 Ca 0.16 0.13 -0.02 0.00 -1.03 0.00 0.00 55.69 54.94 1a4s s MET 52 Cb -0.11 -3.27 0.06 0.00 -1.53 0.00 0.00 34.83 29.98 1a4s s MET 52 CO 0.06 0.59 0.05 0.54 -2.03 0.00 0.00 175.02 174.23 1a4s s VAL 53 N -0.60 3.04 0.59 5.16 0.11 -1.26 -1.59 120.40 125.85 1a4s s VAL 53 Ca 0.19 -1.56 -0.18 0.00 -2.93 0.00 0.00 61.98 57.50 1a4s s VAL 53 Cb -0.14 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.83 1a4s s VAL 53 CO 0.07 -0.25 1.12 -2.16 -3.33 0.00 0.00 175.10 170.55 1a4s s PRO 54 N 1.22 3.14 -0.01 1.54 0.04 -1.26 -4.67 135.00 135.00 1a4s s PRO 54 Ca -0.02 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1a4s s PRO 54 Cb -0.20 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1a4s s PRO 54 CO -0.02 -1.00 0.36 0.00 0.04 0.00 0.00 177.00 176.38 1a4s n GLY 56 N 1.78 2.19 0.31 0.00 0.00 -1.26 -4.39 105.19 103.80 1a4s n GLY 56 Ca -0.15 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 1a4s n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4s h ALA 57 N 0.38 1.04 -0.74 4.61 0.00 -1.98 -2.15 119.26 120.42 1a4s h ALA 57 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1a4s h ALA 57 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1a4s h ALA 57 CO 0.00 0.33 0.30 0.93 0.00 0.00 0.00 179.25 180.82 1a4s h GLU 58 N 1.00 1.10 -0.15 0.00 3.07 -1.99 -1.63 114.58 115.98 1a4s h GLU 58 Ca 0.32 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1a4s h GLU 58 Cb -0.00 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1a4s h GLU 58 CO -0.11 0.90 -0.17 0.93 -1.40 0.00 0.00 179.01 179.16 1a4s h GLU 59 N 1.06 0.38 -1.01 2.33 3.07 -1.83 -2.39 114.58 116.19 1a4s h GLU 59 Ca 0.25 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1a4s h GLU 59 Cb 0.20 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 1a4s h GLU 59 CO -0.02 0.77 0.67 0.28 -1.40 0.00 0.00 179.01 179.30 1a4s h VAL 60 N 0.01 1.23 -0.31 3.13 2.07 -1.31 -1.69 116.25 119.38 1a4s h VAL 60 Ca 0.02 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1a4s h VAL 60 Cb 0.71 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1a4s h VAL 60 CO 0.04 0.24 -0.23 -0.78 0.02 0.00 0.00 177.57 176.87 1a4s h ASP 61 N 1.34 0.59 -0.39 0.57 3.58 -1.23 -0.87 116.42 120.01 1a4s h ASP 61 Ca 0.38 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1a4s h ASP 61 Cb -0.11 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1a4s h ASP 61 CO -0.09 0.81 0.09 1.56 -2.88 0.00 0.00 179.24 178.73 1a4s h GLN 62 N 0.52 0.63 -0.41 0.28 4.20 -0.83 -1.16 115.11 118.33 1a4s h GLN 62 Ca 0.08 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1a4s h GLN 62 Cb 0.68 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 1a4s h GLN 62 CO 0.05 0.66 0.14 0.00 -0.67 0.00 0.00 178.83 179.01 1a4s h ALA 63 N 0.94 0.48 -0.49 3.87 0.00 -0.75 -1.36 119.26 121.94 1a4s h ALA 63 Ca 0.12 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1a4s h ALA 63 Cb 0.32 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1a4s h ALA 63 CO 0.00 -0.25 0.01 0.28 0.00 0.00 0.00 179.25 179.29 1a4s h VAL 64 N 0.30 1.26 -0.56 0.00 2.07 -1.08 -1.66 116.25 116.59 1a4s h VAL 64 Ca 0.19 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1a4s h VAL 64 Cb 0.18 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1a4s h VAL 64 CO -0.19 0.37 0.36 1.56 0.02 0.00 0.00 177.57 179.69 1a4s h GLN 65 N 0.72 0.74 -0.30 1.57 4.20 -1.02 0.13 115.11 121.15 1a4s h GLN 65 Ca 0.14 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1a4s h GLN 65 Cb 0.50 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1a4s h GLN 65 CO 0.02 0.50 0.18 1.03 -0.67 0.00 0.00 178.83 179.90 1a4s h SER 66 N 0.75 0.35 -0.77 1.46 0.87 -1.09 -2.42 113.55 112.71 1a4s h SER 66 Ca 0.20 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.82 1a4s h SER 66 Cb -0.07 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 61.73 1a4s h SER 66 CO -0.04 0.30 0.40 0.00 -0.53 0.00 0.00 176.83 176.95 1a4s h ALA 67 N 1.07 1.09 -0.65 6.23 0.00 -0.68 -2.52 119.26 123.80 1a4s h ALA 67 Ca 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1a4s h ALA 67 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1a4s h ALA 67 CO -0.02 -0.02 0.16 0.37 0.00 0.00 0.00 179.25 179.74 1a4s h GLN 68 N 0.65 1.04 -0.37 0.00 5.75 -0.42 -0.39 115.11 121.36 1a4s h GLN 68 Ca 0.39 -0.25 -0.14 0.00 -0.15 0.00 0.00 58.65 58.50 1a4s h GLN 68 Cb 0.43 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1a4s h GLN 68 CO -0.28 0.93 -0.32 0.00 -2.65 0.00 0.00 178.83 176.50 1a4s h ALA 69 N 1.06 0.72 -0.17 3.38 0.00 -1.20 -2.36 119.26 120.68 1a4s h ALA 69 Ca 0.20 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1a4s h ALA 69 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a4s h ALA 69 CO 0.00 0.66 -0.51 0.00 0.00 0.00 0.00 179.25 179.41 1a4s h ALA 70 N 0.93 0.80 -1.00 0.00 0.00 -1.03 -2.83 119.26 116.13 1a4s h ALA 70 Ca 0.07 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.58 1a4s h ALA 70 Cb 0.88 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1a4s h ALA 70 CO 0.08 0.67 0.64 -0.92 0.00 0.00 0.00 179.25 179.73 1a4s h TYR 71 N 0.37 1.18 -0.66 0.00 3.20 -0.85 0.16 116.97 120.37 1a4s h TYR 71 Ca 0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1a4s h TYR 71 Cb 1.02 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1a4s h TYR 71 CO 0.04 0.56 0.43 -0.07 -1.64 0.00 0.00 178.16 177.48 1a4s h LEU 72 N 1.11 0.67 0.02 2.82 4.07 -1.16 -1.75 115.31 121.08 1a4s h LEU 72 Ca 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.40 1a4s h LEU 72 Cb 0.28 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1a4s h LEU 72 CO -0.20 0.46 -0.01 0.50 -1.08 0.00 0.00 178.44 178.11 1a4s h LYS 73 N 0.78 -0.02 -0.89 1.13 1.63 -1.24 -3.35 116.57 114.61 1a4s h LYS 73 Ca 0.26 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.05 1a4s h LYS 73 Cb 0.08 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 1a4s h LYS 73 CO -0.07 0.61 0.49 2.35 -3.45 0.00 0.00 179.45 179.38 1a4s h TRP 74 N -0.98 1.22 0.00 1.91 2.91 -0.95 -2.53 115.95 117.54 1a4s h TRP 74 Ca -0.00 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1a4s h TRP 74 Cb 0.64 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1a4s h TRP 74 CO 0.17 0.84 0.00 0.66 -1.03 0.00 0.00 178.44 179.09 1a4s h SER 75 N 1.24 0.00 0.21 2.65 4.64 -1.44 -0.52 113.55 120.34 1a4s h SER 75 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1a4s h SER 75 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1a4s h SER 75 CO -0.05 0.00 -0.20 0.29 -0.87 0.00 0.00 176.83 176.00 1a4s n LYS 76 N -2.49 0.94 -3.32 4.77 4.01 -0.96 -4.81 118.16 116.32 1a4s n LYS 76 Ca 0.00 -0.53 -0.38 0.00 -0.51 0.00 0.00 58.31 56.89 1a4s n LYS 76 Cb 0.18 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.15 1a4s n LYS 76 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1a4s s MET 77 N -2.42 4.20 0.94 1.97 -1.94 -0.20 -5.06 119.30 116.78 1a4s s MET 77 Ca 0.27 0.59 -0.12 0.00 -1.71 0.00 0.00 55.69 54.72 1a4s s MET 77 Cb 0.20 -3.31 0.15 0.00 2.01 0.00 0.00 34.83 33.87 1a4s s MET 77 CO 0.49 0.45 1.10 0.00 -0.01 0.00 0.00 175.02 177.04 1a4s s ALA 78 N -0.39 1.36 0.24 3.03 0.00 -1.26 -4.74 121.76 119.98 1a4s s ALA 78 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1a4s s ALA 78 Cb -0.17 -3.14 0.30 0.00 0.00 0.00 0.00 23.12 20.11 1a4s s ALA 78 CO 0.15 -2.52 1.86 0.78 0.00 0.00 0.00 175.76 176.04 1a4s h GLY 79 N -1.66 1.27 2.00 0.00 0.00 -1.93 0.11 103.07 102.85 1a4s h GLY 79 Ca -0.52 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.37 1a4s h GLY 79 CO 0.57 0.30 -0.24 1.19 0.00 0.00 0.00 176.54 178.36 1a4s h ILE 80 N 1.01 1.04 0.06 2.60 6.09 -1.89 0.12 117.51 126.54 1a4s h ILE 80 Ca 0.36 -0.87 -0.25 0.00 -1.37 0.00 0.00 64.86 62.73 1a4s h ILE 80 Cb 0.10 1.49 0.00 0.00 0.47 0.00 0.00 36.82 38.88 1a4s h ILE 80 CO -0.15 0.24 -1.08 -0.33 -3.07 0.00 0.00 178.15 173.76 1a4s h GLU 81 N 0.00 0.31 -0.34 2.19 5.08 -1.20 -3.21 114.58 117.41 1a4s h GLU 81 Ca -0.00 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1a4s h GLU 81 Cb 0.47 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1a4s h GLU 81 CO 0.03 1.14 -0.12 0.00 -1.00 0.00 0.00 179.01 179.06 1a4s h ARG 82 N 0.14 0.68 -0.23 2.33 3.08 -0.86 -3.23 114.38 116.29 1a4s h ARG 82 Ca -0.10 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 59.73 1a4s h ARG 82 Cb 1.76 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.71 1a4s h ARG 82 CO 0.18 0.87 -0.32 1.03 -1.07 0.00 0.00 179.97 180.66 1a4s h SER 83 N 0.46 -1.01 -0.86 7.04 0.87 -0.85 -1.82 113.55 117.38 1a4s h SER 83 Ca 0.08 0.16 0.17 0.00 -1.23 0.00 0.00 61.79 60.97 1a4s h SER 83 Cb 0.64 0.45 -0.10 0.00 -0.44 0.00 0.00 62.40 62.94 1a4s h SER 83 CO 0.04 -0.34 0.42 0.03 -0.53 0.00 0.00 176.83 176.45 1a4s h ARG 84 N -0.34 0.53 -0.23 2.24 2.47 -1.57 -0.64 114.38 116.84 1a4s h ARG 84 Ca 0.12 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1a4s h ARG 84 Cb 0.53 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1a4s h ARG 84 CO -0.41 0.35 -0.05 0.28 0.56 0.00 0.00 179.97 180.70 1a4s h VAL 85 N 0.54 1.28 -0.42 2.04 2.07 -1.57 -2.88 116.25 117.32 1a4s h VAL 85 Ca 0.50 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1a4s h VAL 85 Cb 0.79 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1a4s h VAL 85 CO -0.42 0.32 0.03 0.24 0.02 0.00 0.00 177.57 177.75 1a4s h MET 86 N 0.17 0.65 -0.62 1.57 2.86 -0.93 -1.55 114.93 117.09 1a4s h MET 86 Ca 0.06 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1a4s h MET 86 Cb 0.50 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1a4s h MET 86 CO 0.02 0.66 0.16 -0.07 1.06 0.00 0.00 176.91 178.74 1a4s h LEU 87 N 0.62 0.92 -1.12 1.22 3.38 -1.13 -1.41 115.31 117.81 1a4s h LEU 87 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1a4s h LEU 87 Cb 0.35 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1a4s h LEU 87 CO 0.01 0.91 0.43 -0.33 0.09 0.00 0.00 178.44 179.55 1a4s h GLU 88 N 0.90 1.04 -0.44 1.13 4.39 -1.23 -0.96 114.58 119.41 1a4s h GLU 88 Ca 0.19 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1a4s h GLU 88 Cb 0.34 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1a4s h GLU 88 CO 0.00 0.75 0.25 0.00 -1.16 0.00 0.00 179.01 178.85 1a4s h ALA 89 N 1.42 0.56 -0.88 3.43 0.00 -0.74 -1.87 119.26 121.18 1a4s h ALA 89 Ca 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1a4s h ALA 89 Cb -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1a4s h ALA 89 CO -0.05 0.06 0.45 0.00 0.00 0.00 0.00 179.25 179.72 1a4s h ALA 90 N 1.11 1.14 -0.73 0.00 0.00 -1.03 -2.35 119.26 117.39 1a4s h ALA 90 Ca 0.16 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1a4s h ALA 90 Cb 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.40 1a4s h ALA 90 CO -0.03 0.67 0.41 -0.09 0.00 0.00 0.00 179.25 180.22 1a4s h ARG 91 N 1.25 0.72 -0.55 0.00 2.43 -0.79 -1.32 114.38 116.11 1a4s h ARG 91 Ca 0.31 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1a4s h ARG 91 Cb 0.07 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1a4s h ARG 91 CO -0.04 0.48 0.06 0.82 -1.51 0.00 0.00 179.97 179.77 1a4s h ILE 92 N 0.74 1.26 -0.36 1.20 2.04 -1.14 -1.84 117.51 119.41 1a4s h ILE 92 Ca 0.33 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 1a4s h ILE 92 Cb 0.23 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1a4s h ILE 92 CO -0.20 0.37 -0.18 0.40 0.00 0.00 0.00 178.15 178.54 1a4s h ILE 93 N 0.83 1.26 -0.20 -0.67 2.04 -1.05 -2.25 117.51 117.47 1a4s h ILE 93 Ca 0.16 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.83 1a4s h ILE 93 Cb 0.46 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1a4s h ILE 93 CO 0.02 0.41 -0.06 0.03 0.00 0.00 0.00 178.15 178.55 1a4s h ARG 94 N 0.61 -0.01 -0.33 2.37 3.08 -0.97 -1.06 114.38 118.06 1a4s h ARG 94 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1a4s h ARG 94 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1a4s h ARG 94 CO 0.05 -0.01 0.13 0.93 -1.07 0.00 0.00 179.97 180.00 1a4s h GLU 95 N -0.01 0.46 -0.41 0.04 5.08 -0.91 -3.03 114.58 115.80 1a4s h GLU 95 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1a4s h GLU 95 Cb 0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1a4s h GLU 95 CO -0.21 0.39 0.03 0.54 -1.00 0.00 0.00 179.01 178.75 1a4s n ARG 96 N -4.40 3.50 0.15 2.33 1.74 -0.88 -4.77 116.66 114.33 1a4s n ARG 96 Ca 0.02 -2.99 -0.15 0.00 -0.77 0.00 0.00 57.85 53.96 1a4s n ARG 96 Cb 0.13 -2.01 -0.07 0.00 -1.02 0.00 0.00 32.46 29.49 1a4s n ARG 96 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1a4s h ARG 97 N 2.46 -0.66 -0.91 5.56 1.12 -1.07 -1.38 114.38 119.49 1a4s h ARG 97 Ca 0.04 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 1a4s h ARG 97 Cb 1.71 0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 31.78 1a4s h ARG 97 CO 0.37 -0.44 0.54 -0.44 -3.11 0.00 0.00 179.97 176.88 1a4s h ASP 98 N -0.69 1.10 -0.33 -3.80 3.32 -1.86 -0.37 116.42 113.79 1a4s h ASP 98 Ca 0.01 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1a4s h ASP 98 Cb 0.68 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1a4s h ASP 98 CO -0.19 0.86 -0.30 0.78 -1.72 0.00 0.00 179.24 178.66 1a4s h ASN 99 N 1.26 0.84 -0.62 6.45 2.35 -1.76 -1.98 115.58 122.13 1a4s h ASN 99 Ca 0.33 -0.46 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1a4s h ASN 99 Cb -0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1a4s h ASN 99 CO -0.06 1.13 0.11 0.40 -1.65 0.00 0.00 177.43 177.36 1a4s h ILE 100 N 0.57 1.26 -0.30 2.81 2.04 -1.12 -2.27 117.51 120.50 1a4s h ILE 100 Ca 0.06 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1a4s h ILE 100 Cb 0.88 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1a4s h ILE 100 CO 0.08 0.37 0.11 0.00 0.00 0.00 0.00 178.15 178.71 1a4s h ALA 101 N 1.03 0.35 -0.03 1.87 0.00 -0.93 -0.05 119.26 121.50 1a4s h ALA 101 Ca 0.19 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1a4s h ALA 101 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1a4s h ALA 101 CO 0.01 -0.29 -0.26 -0.22 0.00 0.00 0.00 179.25 178.50 1a4s h LYS 102 N 0.25 -0.37 -0.90 0.00 3.64 -1.17 -1.28 116.57 116.74 1a4s h LYS 102 Ca 0.13 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1a4s h LYS 102 Cb 0.09 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1a4s h LYS 102 CO -0.13 -0.24 0.57 1.25 -2.27 0.00 0.00 179.45 178.63 1a4s h LEU 103 N -0.38 1.05 -0.40 5.20 6.46 -1.06 -2.16 115.31 124.02 1a4s h LEU 103 Ca 0.07 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1a4s h LEU 103 Cb 0.48 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.09 1a4s h LEU 103 CO -0.24 0.78 0.04 -0.08 -0.62 0.00 0.00 178.44 178.31 1a4s h GLU 104 N 1.22 0.15 -0.59 1.25 4.57 -0.72 -2.25 114.58 118.21 1a4s h GLU 104 Ca 0.33 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.55 1a4s h GLU 104 Cb -0.11 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 1a4s h GLU 104 CO -0.07 0.10 0.31 0.28 -1.18 0.00 0.00 179.01 178.45 1a4s h VAL 105 N 0.15 0.97 -0.43 0.32 2.07 -0.77 -0.91 116.25 117.65 1a4s h VAL 105 Ca 0.19 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1a4s h VAL 105 Cb 0.26 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1a4s h VAL 105 CO -0.29 0.11 0.19 0.40 0.02 0.00 0.00 177.57 178.00 1a4s h ILE 106 N 0.60 0.93 0.10 4.57 2.04 -0.82 0.25 117.51 125.18 1a4s h ILE 106 Ca 0.26 -0.13 -0.27 0.00 1.00 0.00 0.00 64.86 65.71 1a4s h ILE 106 Cb 0.15 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1a4s h ILE 106 CO -0.17 0.07 -1.18 -1.13 0.00 0.00 0.00 178.15 175.74 1a4s h ASN 107 N 0.39 0.62 0.25 1.72 -0.00 -1.35 -3.37 115.58 113.84 1a4s h ASN 107 Ca 0.19 -0.59 -0.34 0.00 -0.00 0.00 0.00 56.30 55.57 1a4s h ASN 107 Cb 0.13 -0.20 -0.05 0.00 -0.00 0.00 0.00 38.32 38.20 1a4s h ASN 107 CO -0.16 1.42 -2.00 -3.20 -0.00 0.00 0.00 177.43 173.49 1a4s n ASN 108 N -3.68 1.08 0.00 1.15 2.85 -0.36 -4.54 115.26 111.76 1a4s n ASN 108 Ca -0.10 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1a4s n ASN 108 Cb 0.97 -0.05 0.00 0.00 1.24 0.00 0.00 39.78 41.94 1a4s n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1a4s n GLY 109 N 1.77 0.74 3.80 8.20 0.00 0.87 -4.58 105.19 115.99 1a4s n GLY 109 Ca -0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1a4s n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4s s LYS 110 N -0.88 2.56 0.73 1.61 -2.85 -1.26 -3.88 119.74 115.77 1a4s s LYS 110 Ca 0.00 0.90 -0.14 0.00 -1.00 0.00 0.00 55.97 55.73 1a4s s LYS 110 Cb 0.00 -1.95 0.04 0.00 -2.06 0.00 0.00 37.83 33.86 1a4s s LYS 110 CO 0.00 -1.35 1.15 0.95 0.10 0.00 0.00 175.35 176.20 1a4s s THR 111 N -3.05 2.74 0.36 3.79 -4.23 -1.26 -4.63 115.64 109.36 1a4s s THR 111 Ca 0.59 0.33 0.12 0.00 -1.18 0.00 0.00 61.69 61.55 1a4s s THR 111 Cb -0.15 -2.81 0.08 0.00 1.34 0.00 0.00 72.50 70.96 1a4s s THR 111 CO 0.55 -0.23 1.80 0.16 -0.54 0.00 0.00 174.62 176.36 1a4s h ILE 112 N -0.43 1.29 -0.53 2.99 -0.00 -1.50 0.66 117.51 119.99 1a4s h ILE 112 Ca -0.46 -1.37 0.07 0.00 -0.00 0.00 0.00 64.86 63.09 1a4s h ILE 112 Cb 1.27 1.73 -0.06 0.00 -0.00 0.00 0.00 36.82 39.75 1a4s h ILE 112 CO 0.51 0.39 0.20 0.74 -0.00 0.00 0.00 178.15 179.99 1a4s h THR 113 N 0.02 0.83 -0.03 0.16 2.02 -1.86 -2.25 112.91 111.80 1a4s h THR 113 Ca -0.00 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 66.85 1a4s h THR 113 Cb 0.71 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1a4s h THR 113 CO 0.05 0.07 -0.81 -0.33 0.37 0.00 0.00 175.52 174.87 1a4s h GLU 114 N 0.39 0.31 -0.37 6.66 5.08 -1.80 -3.32 114.58 121.53 1a4s h GLU 114 Ca 0.26 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1a4s h GLU 114 Cb 0.27 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1a4s h GLU 114 CO -0.25 0.97 -0.11 0.00 -1.00 0.00 0.00 179.01 178.62 1a4s h ALA 115 N 0.94 1.12 -0.80 3.43 0.00 -0.69 -1.49 119.26 121.77 1a4s h ALA 115 Ca -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a4s h ALA 115 Cb 1.41 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1a4s h ALA 115 CO 0.13 0.55 0.49 0.93 0.00 0.00 0.00 179.25 181.36 1a4s h GLU 116 N 0.59 1.08 -0.61 0.00 5.08 -1.50 -0.91 114.58 118.30 1a4s h GLU 116 Ca 0.10 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1a4s h GLU 116 Cb 0.54 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1a4s h GLU 116 CO 0.03 0.75 -0.00 1.88 -1.00 0.00 0.00 179.01 180.66 1a4s h TYR 117 N 1.10 1.18 -0.71 4.33 0.05 -1.41 -1.64 116.97 119.88 1a4s h TYR 117 Ca 0.29 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.89 1a4s h TYR 117 Cb -0.06 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.33 1a4s h TYR 117 CO 0.00 1.04 0.45 -0.44 -1.05 0.00 0.00 178.16 178.17 1a4s h ASP 118 N 0.99 0.76 0.46 3.88 5.19 -0.67 0.15 116.42 127.17 1a4s h ASP 118 Ca 0.17 -0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.37 1a4s h ASP 118 Cb 0.57 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1a4s h ASP 118 CO 0.03 0.53 -0.86 0.40 -3.12 0.00 0.00 179.24 176.23 1a4s h ILE 119 N 0.90 1.45 -0.47 0.35 1.08 -1.05 -1.60 117.51 118.17 1a4s h ILE 119 Ca 0.28 -2.47 -0.02 0.00 -0.39 0.00 0.00 64.86 62.25 1a4s h ILE 119 Cb -0.02 2.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 1a4s h ILE 119 CO -0.09 0.73 0.21 0.44 -0.69 0.00 0.00 178.15 178.74 1a4s h ASP 120 N 0.17 0.64 -0.78 1.72 3.32 -1.19 -2.18 116.42 118.11 1a4s h ASP 120 Ca -0.05 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.93 1a4s h ASP 120 Cb 1.48 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.80 1a4s h ASP 120 CO 0.14 0.61 0.45 0.00 -1.72 0.00 0.00 179.24 178.72 1a4s h ALA 121 N 1.05 1.10 -0.05 3.45 0.00 -0.77 -0.87 119.26 123.16 1a4s h ALA 121 Ca 0.16 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1a4s h ALA 121 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1a4s h ALA 121 CO -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.29 1a4s h ALA 122 N 1.42 0.01 -0.26 0.00 0.00 -0.88 -0.94 119.26 118.60 1a4s h ALA 122 Ca 0.37 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 1a4s h ALA 122 Cb 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a4s h ALA 122 CO -0.23 -0.52 -0.45 0.11 0.00 0.00 0.00 179.25 178.17 1a4s h TRP 123 N -0.05 0.82 -0.57 0.00 5.08 -1.19 -2.70 115.95 117.34 1a4s h TRP 123 Ca 0.04 -0.26 -0.07 0.00 1.08 0.00 0.00 58.89 59.68 1a4s h TRP 123 Cb 0.10 -0.17 -0.02 0.00 -3.00 0.00 0.00 29.16 26.07 1a4s h TRP 123 CO -0.14 1.00 0.08 1.96 -1.28 0.00 0.00 178.44 180.07 1a4s h GLN 124 N 0.54 0.91 -0.69 0.12 4.20 -1.07 -0.14 115.11 118.98 1a4s h GLN 124 Ca 0.03 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1a4s h GLN 124 Cb 0.99 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1a4s h GLN 124 CO 0.09 0.85 0.36 0.00 -0.67 0.00 0.00 178.83 179.47 1a4s h ILE 126 N 0.95 1.26 -0.25 0.00 2.04 -1.17 -2.05 117.51 118.30 1a4s h ILE 126 Ca 0.24 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1a4s h ILE 126 Cb 0.06 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1a4s h ILE 126 CO -0.04 0.39 -0.23 -0.08 0.00 0.00 0.00 178.15 178.19 1a4s h GLU 127 N 0.89 0.46 -0.51 2.37 4.81 -0.53 -2.40 114.58 119.67 1a4s h GLU 127 Ca 0.17 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1a4s h GLU 127 Cb 0.50 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1a4s h GLU 127 CO 0.02 0.66 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.90 1a4s h TYR 128 N 0.41 1.11 0.00 0.92 3.20 -0.38 -2.41 116.97 119.82 1a4s h TYR 128 Ca 0.06 -0.24 -0.19 0.00 3.14 0.00 0.00 58.73 61.50 1a4s h TYR 128 Cb 0.63 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1a4s h TYR 128 CO 0.02 1.05 -0.96 1.88 -1.64 0.00 0.00 178.16 178.50 1a4s h TYR 129 N 0.87 0.00 -0.42 -3.82 0.05 -1.36 -2.27 116.97 110.02 1a4s h TYR 129 Ca 0.13 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.99 1a4s h TYR 129 Cb 0.70 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.37 1a4s h TYR 129 CO 0.05 0.89 -0.02 0.00 -1.05 0.00 0.00 178.16 178.03 1a4s h ALA 130 N 1.11 0.37 -0.76 3.88 0.00 -1.45 -1.00 119.26 121.41 1a4s h ALA 130 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1a4s h ALA 130 Cb 1.71 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1a4s h ALA 130 CO 0.11 -0.40 0.45 0.78 0.00 0.00 0.00 179.25 180.19 1a4s h GLY 131 N 0.09 1.11 2.00 0.00 0.00 -0.90 -2.70 103.07 102.67 1a4s h GLY 131 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1a4s h GLY 131 CO -0.36 0.45 -0.28 1.41 0.00 0.00 0.00 176.54 177.77 1a4s h LEU 132 N 1.05 0.00 -0.46 3.11 4.07 -0.80 -3.38 115.31 118.90 1a4s h LEU 132 Ca 0.27 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.25 1a4s h LEU 132 Cb -0.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1a4s h LEU 132 CO -0.05 0.28 0.28 0.00 -1.08 0.00 0.00 178.44 177.87 1a4s h ALA 133 N 1.72 0.59 0.00 1.53 0.00 -0.86 0.62 119.26 122.86 1a4s h ALA 133 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a4s h ALA 133 Cb 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a4s h ALA 133 CO 0.04 -0.02 0.00 -2.30 0.00 0.00 0.00 179.25 176.97 1a4s n PRO 134 N -4.81 0.39 0.01 0.00 -0.02 -1.26 -2.72 135.00 126.59 1a4s n PRO 134 Ca 0.02 0.07 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 1a4s n PRO 134 Cb 0.06 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 1a4s n PRO 134 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1a4s n THR 135 N -1.21 0.82 -1.62 3.45 -1.04 0.18 -4.87 114.28 109.99 1a4s n THR 135 Ca 0.11 -0.65 -0.49 0.00 -2.04 0.00 0.00 64.05 60.98 1a4s n THR 135 Cb 0.14 -0.43 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 1a4s n THR 135 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a4s n LEU 136 N -2.66 2.21 -3.56 -4.42 4.32 -1.04 -4.96 117.00 106.89 1a4s n LEU 136 Ca -0.11 1.11 -0.07 0.00 -0.02 0.00 0.00 56.01 56.92 1a4s n LEU 136 Cb 0.78 -1.28 -0.02 0.00 -1.62 0.00 0.00 43.42 41.27 1a4s n LEU 136 CO 0.43 -0.76 0.71 -0.94 -1.22 0.00 0.00 177.39 175.62 1a4s s SER 137 N 0.62 -0.31 0.00 -1.43 1.04 -1.26 -4.99 113.70 107.37 1a4s s SER 137 Ca 0.82 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1a4s s SER 137 Cb -0.84 0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1a4s s SER 137 CO 0.44 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1a4s n GLY 138 N -0.29 3.28 3.69 7.32 0.00 -1.25 -4.68 105.19 113.25 1a4s n GLY 138 Ca -0.08 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 1a4s n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a4s s GLN 139 N 2.81 2.18 -0.12 1.61 -0.21 -1.24 -4.87 119.66 119.84 1a4s s GLN 139 Ca 0.00 -1.76 0.01 0.00 0.02 0.00 0.00 55.36 53.62 1a4s s GLN 139 Cb 0.00 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 32.05 1a4s s GLN 139 CO 0.00 0.03 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.50 1a4s s HIS 140 N -2.54 1.76 -0.05 0.91 5.65 -1.26 -1.45 115.29 118.30 1a4s s HIS 140 Ca 0.38 -0.88 0.03 0.00 0.25 0.00 0.00 55.06 54.83 1a4s s HIS 140 Cb 0.01 -1.35 0.01 0.00 -1.18 0.00 0.00 32.58 30.07 1a4s s HIS 140 CO 0.21 -0.52 -0.13 0.42 -0.65 0.00 0.00 174.74 174.07 1a4s s ILE 141 N 1.38 1.18 -0.04 0.89 1.01 -0.00 -5.02 121.20 120.61 1a4s s ILE 141 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 1a4s s ILE 141 Cb -0.13 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1a4s s ILE 141 CO -0.06 0.36 0.69 -1.10 0.00 0.00 0.00 174.94 174.82 1a4s s GLN 142 N 0.40 4.42 0.30 2.79 -0.21 -1.26 -1.42 119.66 124.68 1a4s s GLN 142 Ca -0.10 0.87 0.09 0.00 0.02 0.00 0.00 55.36 56.25 1a4s s GLN 142 Cb -0.13 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.41 1a4s s GLN 142 CO 0.03 0.15 0.02 -0.51 -2.12 0.00 0.00 175.29 172.86 1a4s s LEU 143 N 0.49 3.11 0.25 2.90 1.43 -0.36 -4.95 118.68 121.56 1a4s s LEU 143 Ca 0.36 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.36 1a4s s LEU 143 Cb -0.18 -1.58 -0.12 0.00 0.03 0.00 0.00 46.19 44.33 1a4s s LEU 143 CO 0.18 -0.12 1.56 -2.65 0.23 0.00 0.00 176.35 175.55 1a4s n PRO 144 N -0.95 2.46 -2.22 1.29 -0.02 -1.26 -3.27 135.00 131.04 1a4s n PRO 144 Ca -0.05 0.88 -0.03 0.00 -2.02 0.00 0.00 63.50 62.28 1a4s n PRO 144 Cb 0.60 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1a4s n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4s n GLY 145 N 2.54 0.41 2.51 -1.23 0.00 -1.26 -3.75 105.19 104.40 1a4s n GLY 145 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1a4s n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4s n GLY 146 N -0.91 3.07 3.65 -0.02 0.00 -1.20 -4.95 105.19 104.81 1a4s n GLY 146 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1a4s n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4s s ALA 147 N -1.80 1.04 0.06 4.61 0.00 -1.25 -4.67 121.76 119.75 1a4s s ALA 147 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1a4s s ALA 147 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1a4s s ALA 147 CO 0.00 -2.85 0.06 -0.59 0.00 0.00 0.00 175.76 172.39 1a4s s PHE 148 N -2.70 0.34 0.18 0.00 -0.71 -0.93 -1.22 117.98 112.95 1a4s s PHE 148 Ca 0.66 -0.81 0.10 0.00 -1.04 0.00 0.00 56.93 55.83 1a4s s PHE 148 Cb -0.21 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1a4s s PHE 148 CO 0.59 -0.43 -0.20 0.00 -1.34 0.00 0.00 175.22 173.84 1a4s s ALA 149 N -3.65 2.24 0.03 1.99 0.00 -0.51 -0.37 121.76 121.50 1a4s s ALA 149 Ca 0.04 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1a4s s ALA 149 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1a4s s ALA 149 CO -0.09 0.31 -0.05 1.52 0.00 0.00 0.00 175.76 177.44 1a4s s TYR 150 N -1.95 0.42 -0.01 0.00 1.13 -0.13 -0.82 117.35 115.99 1a4s s TYR 150 Ca 0.18 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.38 1a4s s TYR 150 Cb -0.06 -0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.49 1a4s s TYR 150 CO 0.08 -0.14 -0.07 0.95 -2.51 0.00 0.00 175.55 173.87 1a4s s THR 151 N -1.34 3.67 -0.14 -3.49 -4.23 -0.53 -0.45 115.64 109.12 1a4s s THR 151 Ca -0.13 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 1a4s s THR 151 Cb -0.09 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1a4s s THR 151 CO -0.00 0.43 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.37 1a4s s ARG 152 N -1.30 3.57 -0.45 3.99 0.52 -0.03 -3.62 118.95 121.63 1a4s s ARG 152 Ca 0.16 -0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 1a4s s ARG 152 Cb -0.11 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.45 1a4s s ARG 152 CO 0.06 0.36 0.68 0.50 0.02 0.00 0.00 175.30 176.92 1a4s s ARG 153 N 0.07 3.28 0.26 3.54 3.52 -1.26 -1.60 118.95 126.76 1a4s s ARG 153 Ca 0.01 -0.39 0.08 0.00 -0.13 0.00 0.00 55.73 55.31 1a4s s ARG 153 Cb -0.13 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.25 1a4s s ARG 153 CO 0.02 -1.07 0.09 -1.21 -0.81 0.00 0.00 175.30 172.32 1a4s s GLU 154 N 2.93 2.58 0.98 5.12 2.02 0.06 -4.91 118.70 127.48 1a4s s GLU 154 Ca 0.23 -1.25 -0.12 0.00 0.02 0.00 0.00 54.97 53.85 1a4s s GLU 154 Cb -0.14 -2.34 0.18 0.00 0.10 0.00 0.00 34.13 31.92 1a4s s GLU 154 CO 0.19 0.38 1.10 -1.25 0.02 0.00 0.00 175.26 175.69 1a4s s PRO 155 N -3.75 0.58 -0.20 0.39 0.04 -1.25 -0.80 135.00 130.01 1a4s s PRO 155 Ca 0.32 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 1a4s s PRO 155 Cb -0.07 -1.75 -0.19 0.00 0.04 0.00 0.00 34.50 32.52 1a4s s PRO 155 CO 0.22 -2.63 0.14 1.28 0.04 0.00 0.00 177.00 176.05 1a4s n LEU 156 N -4.11 2.08 0.00 -3.56 4.32 -1.26 -4.64 117.00 109.84 1a4s n LEU 156 Ca 0.05 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1a4s n LEU 156 Cb 0.57 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1a4s n LEU 156 CO 0.57 0.47 0.00 0.61 -1.22 0.00 0.00 177.39 177.82 1a4s n GLY 157 N 1.56 0.54 3.60 -0.72 0.00 -1.26 -4.85 105.19 104.05 1a4s n GLY 157 Ca -0.36 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1a4s n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4s s VAL 158 N 0.00 5.13 -0.13 1.61 1.01 -1.26 -1.49 120.40 125.27 1a4s s VAL 158 Ca 0.00 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 1a4s s VAL 158 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1a4s s VAL 158 CO 0.00 0.07 0.08 0.00 0.00 0.00 0.00 175.10 175.24 1a4s s ALA 160 N -0.50 3.47 -0.10 0.00 0.00 0.39 -1.87 121.76 123.16 1a4s s ALA 160 Ca 0.11 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1a4s s ALA 160 Cb -0.12 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1a4s s ALA 160 CO 0.02 0.60 -0.12 0.20 0.00 0.00 0.00 175.76 176.46 1a4s s GLY 161 N -0.98 0.92 -0.32 0.00 0.00 -0.61 0.04 107.32 106.37 1a4s s GLY 161 Ca 0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 1a4s s GLY 161 CO 0.04 0.39 0.17 -0.42 0.00 0.00 0.00 173.10 173.27 1a4s s ILE 162 N 1.15 4.72 0.27 0.90 1.01 -0.08 -1.20 121.20 127.97 1a4s s ILE 162 Ca -0.04 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1a4s s ILE 162 Cb -0.14 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1a4s s ILE 162 CO -0.03 0.04 0.18 -0.76 0.00 0.00 0.00 174.94 174.37 1a4s s LEU 163 N 1.63 3.66 0.51 2.97 1.43 -0.93 -1.83 118.68 126.12 1a4s s LEU 163 Ca 0.05 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1a4s s LEU 163 Cb -0.17 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 43.89 1a4s s LEU 163 CO 0.07 -0.10 0.70 0.00 0.23 0.00 0.00 176.35 177.25 1a4s s ALA 164 N -2.21 4.50 -2.09 4.21 0.00 -1.26 -3.43 121.76 121.48 1a4s s ALA 164 Ca 0.34 -1.83 0.23 0.00 0.00 0.00 0.00 51.96 50.70 1a4s s ALA 164 Cb -0.07 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.48 1a4s s ALA 164 CO 0.24 -0.62 1.13 -2.67 0.00 0.00 0.00 175.76 173.85 1a4s n TRP 165 N -2.11 0.00 0.09 0.00 4.27 -1.26 -4.38 117.44 114.05 1a4s n TRP 165 Ca 0.11 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.72 1a4s n TRP 165 Cb 0.60 -0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.50 1a4s n TRP 165 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 1a4s h ASN 166 N 2.52 0.00 -2.04 -0.67 -1.07 -1.97 -3.38 115.58 108.97 1a4s h ASN 166 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 1a4s h ASN 166 Cb 0.76 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.61 1a4s h ASN 166 CO 0.00 0.64 -1.08 -1.22 0.07 0.00 0.00 177.43 175.85 1a4s n TYR 167 N -3.16 0.50 0.14 4.14 4.02 -1.26 -5.03 117.16 116.51 1a4s n TYR 167 Ca -0.02 -3.75 -0.13 0.00 -0.01 0.00 0.00 57.90 53.98 1a4s n TYR 167 Cb 0.82 -0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 39.67 1a4s n TYR 167 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1a4s h PRO 168 N 3.47 -0.47 -0.18 -0.72 0.11 -1.76 0.21 132.00 132.66 1a4s h PRO 168 Ca 0.10 0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 1a4s h PRO 168 Cb 0.88 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1a4s h PRO 168 CO 0.53 -0.32 -0.53 0.35 -0.21 0.00 0.00 178.00 177.83 1a4s h PHE 169 N -0.49 0.88 -0.34 0.65 3.57 -1.94 -2.67 116.94 116.60 1a4s h PHE 169 Ca 0.02 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 1a4s h PHE 169 Cb 0.49 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1a4s h PHE 169 CO -0.21 1.14 0.13 1.98 -2.23 0.00 0.00 178.31 179.13 1a4s h MET 170 N 0.36 0.51 -0.06 1.11 4.05 -1.78 -2.50 114.93 116.62 1a4s h MET 170 Ca -0.02 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.19 1a4s h MET 170 Cb 1.15 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1a4s h MET 170 CO 0.11 0.51 -0.49 0.97 0.23 0.00 0.00 176.91 178.24 1a4s h ILE 171 N 0.40 1.35 -0.34 1.77 2.10 -1.01 0.81 117.51 122.58 1a4s h ILE 171 Ca 0.11 -1.71 0.02 0.00 1.08 0.00 0.00 64.86 64.36 1a4s h ILE 171 Cb 0.19 1.86 -0.03 0.00 -1.09 0.00 0.00 36.82 37.75 1a4s h ILE 171 CO -0.01 0.50 0.18 0.00 -1.08 0.00 0.00 178.15 177.74 1a4s h ALA 172 N 1.38 0.42 -0.40 0.18 0.00 -1.38 -2.15 119.26 117.31 1a4s h ALA 172 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1a4s h ALA 172 Cb 0.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1a4s h ALA 172 CO 0.07 -0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.21 1a4s h ALA 173 N 1.17 0.53 -0.59 0.00 0.00 -1.01 -0.61 119.26 118.75 1a4s h ALA 173 Ca 0.14 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1a4s h ALA 173 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1a4s h ALA 173 CO -0.09 0.23 0.40 -1.49 0.00 0.00 0.00 179.25 178.31 1a4s h TRP 174 N 0.51 0.37 0.08 0.00 4.06 -0.59 0.10 115.95 120.48 1a4s h TRP 174 Ca 0.12 0.01 -0.30 0.00 2.06 0.00 0.00 58.89 60.78 1a4s h TRP 174 Cb 0.35 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 1a4s h TRP 174 CO 0.02 0.17 -1.60 0.87 -3.56 0.00 0.00 178.44 174.34 1a4s h LYS 175 N 0.34 0.17 -0.31 0.49 1.57 -1.20 -3.37 116.57 114.25 1a4s h LYS 175 Ca 0.28 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1a4s h LYS 175 Cb 0.63 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1a4s h LYS 175 CO -0.07 0.97 -0.24 0.00 -0.57 0.00 0.00 179.45 179.54 1a4s h ALA 177 N 1.21 -0.32 -0.59 0.00 0.00 -1.15 -0.76 119.26 117.65 1a4s h ALA 177 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1a4s h ALA 177 Cb 0.69 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1a4s h ALA 177 CO 0.05 -0.54 0.01 -1.00 0.00 0.00 0.00 179.25 177.77 1a4s h PRO 178 N -0.59 1.04 -0.11 0.00 0.13 -1.76 -0.84 132.00 129.88 1a4s h PRO 178 Ca -0.03 -0.33 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1a4s h PRO 178 Cb 0.43 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1a4s h PRO 178 CO 0.05 1.02 -0.03 0.00 -0.23 0.00 0.00 178.00 178.81 1a4s h ALA 179 N 0.98 0.06 -0.37 -0.56 0.00 -1.48 -2.17 119.26 115.73 1a4s h ALA 179 Ca 0.17 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1a4s h ALA 179 Cb 0.54 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1a4s h ALA 179 CO 0.03 -0.49 0.02 -0.07 0.00 0.00 0.00 179.25 178.74 1a4s h LEU 180 N -0.01 0.61 -1.50 0.00 4.07 -1.05 -1.53 115.31 115.90 1a4s h LEU 180 Ca 0.05 -0.29 0.02 0.00 0.08 0.00 0.00 57.88 57.75 1a4s h LEU 180 Cb 0.10 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1a4s h LEU 180 CO -0.12 0.75 0.36 0.00 -1.08 0.00 0.00 178.44 178.35 1a4s h ALA 181 N 0.88 1.69 -0.01 1.53 0.00 -0.96 -1.55 119.26 120.85 1a4s h ALA 181 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a4s h ALA 181 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a4s h ALA 181 CO 0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1a4s n GLY 183 N 1.02 0.84 3.95 0.00 0.00 -0.58 -3.82 105.19 106.59 1a4s n GLY 183 Ca 0.22 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1a4s n GLY 183 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a4s s ASN 184 N -2.09 5.01 0.28 1.61 0.01 -0.59 -3.94 114.94 115.24 1a4s s ASN 184 Ca 0.00 0.25 0.08 0.00 -0.71 0.00 0.00 52.86 52.47 1a4s s ASN 184 Cb 0.00 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.63 1a4s s ASN 184 CO 0.00 -1.41 0.18 0.00 -1.51 0.00 0.00 177.10 174.37 1a4s s ALA 185 N -3.04 3.57 -0.02 0.60 0.00 -0.55 -4.36 121.76 117.97 1a4s s ALA 185 Ca 0.59 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1a4s s ALA 185 Cb -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1a4s s ALA 185 CO 0.42 0.18 -0.05 0.08 0.00 0.00 0.00 175.76 176.39 1a4s s VAL 186 N -2.23 0.43 -0.18 0.00 1.01 0.10 -1.68 120.40 117.86 1a4s s VAL 186 Ca 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1a4s s VAL 186 Cb -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1a4s s VAL 186 CO 0.24 0.15 -0.19 -0.69 0.00 0.00 0.00 175.10 174.61 1a4s s VAL 187 N 0.21 2.00 0.28 2.92 1.01 -0.78 -0.83 120.40 125.21 1a4s s VAL 187 Ca -0.02 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1a4s s VAL 187 Cb -0.06 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1a4s s VAL 187 CO -0.00 0.53 -0.15 0.72 0.00 0.00 0.00 175.10 176.19 1a4s s PHE 188 N 1.30 2.17 -0.27 5.22 -0.12 -0.52 -1.57 117.98 124.19 1a4s s PHE 188 Ca 0.05 -0.45 -0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1a4s s PHE 188 Cb -0.13 -1.05 0.08 0.00 -0.63 0.00 0.00 43.02 41.29 1a4s s PHE 188 CO -0.12 0.58 0.04 0.21 -0.05 0.00 0.00 175.22 175.87 1a4s s LYS 189 N -3.58 1.05 0.68 1.99 2.20 -0.34 -1.29 119.74 120.46 1a4s s LYS 189 Ca 0.29 -1.04 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 1a4s s LYS 189 Cb -0.02 -2.34 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1a4s s LYS 189 CO 0.13 -0.81 1.20 -2.14 -0.36 0.00 0.00 175.35 173.37 1a4s s PRO 190 N 1.50 2.44 0.32 4.03 0.02 -1.25 -2.18 135.00 139.88 1a4s s PRO 190 Ca 0.04 1.74 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 1a4s s PRO 190 Cb -0.18 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.33 1a4s s PRO 190 CO -0.15 -1.60 0.90 0.45 -0.33 0.00 0.00 177.00 176.27 1a4s n SER 191 N -2.38 0.74 0.00 2.53 2.88 -1.22 -4.59 113.62 111.58 1a4s n SER 191 Ca 0.13 1.11 0.07 0.00 -1.33 0.00 0.00 58.87 58.85 1a4s n SER 191 Cb 0.50 -1.24 0.32 0.00 -0.75 0.00 0.00 64.21 63.03 1a4s n SER 191 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a4s n PRO 192 N 0.64 0.05 0.13 -1.46 -0.04 -1.26 -1.49 135.00 131.57 1a4s n PRO 192 Ca 0.11 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1a4s n PRO 192 Cb 0.34 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1a4s n PRO 192 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1a4s h MET 193 N 0.00 0.00 -2.06 0.54 2.86 -1.92 -3.39 114.93 110.97 1a4s h MET 193 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1a4s h MET 193 Cb 0.22 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.48 1a4s h MET 193 CO 0.00 0.03 -1.03 0.25 1.06 0.00 0.00 176.91 177.21 1a4s n THR 194 N -2.82 0.38 0.46 2.22 -2.24 -0.56 -4.59 114.28 107.13 1a4s n THR 194 Ca 0.01 -4.62 0.12 0.00 -2.27 0.00 0.00 64.05 57.29 1a4s n THR 194 Cb 0.56 -1.12 0.17 0.00 -2.10 0.00 0.00 70.33 67.85 1a4s n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1a4s h PRO 195 N 3.41 0.00 0.06 -0.78 0.13 -1.75 -3.42 132.00 129.66 1a4s h PRO 195 Ca 0.10 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1a4s h PRO 195 Cb 0.85 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.98 1a4s h PRO 195 CO 0.57 0.00 -0.33 -0.24 -0.23 0.00 0.00 178.00 177.77 1a4s h VAL 196 N 0.00 1.68 0.00 1.56 3.04 -1.92 -3.34 116.25 117.27 1a4s h VAL 196 Ca 0.00 -2.42 -0.03 0.00 -1.01 0.00 0.00 66.70 63.23 1a4s h VAL 196 Cb 0.81 3.31 -0.00 0.00 -2.01 0.00 0.00 31.29 33.40 1a4s h VAL 196 CO 0.00 0.65 -0.16 0.71 -1.01 0.00 0.00 177.57 177.76 1a4s h THR 197 N -0.74 0.56 -0.91 3.17 1.35 -1.94 -2.94 112.91 111.46 1a4s h THR 197 Ca -0.06 -0.74 0.14 0.00 -0.55 0.00 0.00 66.41 65.20 1a4s h THR 197 Cb 1.26 1.49 -0.07 0.00 -1.73 0.00 0.00 68.15 69.10 1a4s h THR 197 CO 0.06 0.16 0.58 1.23 -0.25 0.00 0.00 175.52 177.30 1a4s h GLY 198 N 1.26 1.29 1.98 5.82 0.00 -1.84 -1.23 103.07 110.35 1a4s h GLY 198 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1a4s h GLY 198 CO 0.02 0.10 -0.08 -0.24 0.00 0.00 0.00 176.54 176.34 1a4s h VAL 199 N 0.75 0.09 -0.19 4.60 3.04 -1.70 -2.58 116.25 120.26 1a4s h VAL 199 Ca 0.46 -1.13 0.01 0.00 -1.01 0.00 0.00 66.70 65.02 1a4s h VAL 199 Cb 0.68 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 1a4s h VAL 199 CO -0.22 0.05 0.11 0.40 -1.01 0.00 0.00 177.57 176.90 1a4s h ILE 200 N 0.00 1.02 -0.23 3.17 1.08 -1.36 -0.59 117.51 120.60 1a4s h ILE 200 Ca -0.00 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1a4s h ILE 200 Cb 1.04 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 1a4s h ILE 200 CO 0.01 0.04 -0.04 0.25 -0.69 0.00 0.00 178.15 177.72 1a4s h LEU 201 N 0.23 -0.17 -1.25 1.44 5.85 -1.30 0.56 115.31 120.66 1a4s h LEU 201 Ca 0.08 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1a4s h LEU 201 Cb -0.00 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1a4s h LEU 201 CO -0.04 -0.06 0.52 0.00 -0.34 0.00 0.00 178.44 178.53 1a4s h ALA 202 N 1.22 1.54 -0.26 1.25 0.00 -1.16 -1.94 119.26 119.91 1a4s h ALA 202 Ca 0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1a4s h ALA 202 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a4s h ALA 202 CO -0.22 0.37 -0.38 0.93 0.00 0.00 0.00 179.25 179.95 1a4s h GLU 203 N 0.96 0.59 -0.73 0.00 5.08 -0.52 -2.96 114.58 117.00 1a4s h GLU 203 Ca 0.32 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1a4s h GLU 203 Cb 0.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1a4s h GLU 203 CO -0.10 0.88 0.21 0.82 -1.00 0.00 0.00 179.01 179.82 1a4s h ILE 204 N 0.49 1.26 -0.54 3.13 2.04 -0.35 -0.07 117.51 123.48 1a4s h ILE 204 Ca 0.05 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1a4s h ILE 204 Cb 0.88 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1a4s h ILE 204 CO 0.08 0.36 0.22 -0.26 0.00 0.00 0.00 178.15 178.55 1a4s h PHE 205 N 1.09 0.78 -0.46 1.37 0.04 -1.21 -0.22 116.94 118.32 1a4s h PHE 205 Ca 0.23 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 1a4s h PHE 205 Cb 0.33 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1a4s h PHE 205 CO 0.03 0.60 -0.09 0.45 -0.60 0.00 0.00 178.31 178.70 1a4s h HIS 206 N 0.77 0.98 -0.92 -0.55 3.86 -1.21 -2.26 115.15 115.82 1a4s h HIS 206 Ca 0.19 -0.20 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1a4s h HIS 206 Cb 0.15 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.31 1a4s h HIS 206 CO 0.01 0.96 0.58 0.93 0.86 0.00 0.00 177.93 181.27 1a4s h GLU 207 N 0.72 1.02 0.00 2.45 5.08 -0.44 -1.22 114.58 122.18 1a4s h GLU 207 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1a4s h GLU 207 Cb 0.63 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1a4s h GLU 207 CO 0.04 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1a4s h ALA 208 N 1.43 1.00 0.00 3.43 0.00 -0.82 -3.47 119.26 120.84 1a4s h ALA 208 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1a4s h ALA 208 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a4s h ALA 208 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1a4s n GLY 209 N 0.28 0.95 3.75 0.00 0.00 -0.46 -4.72 105.19 104.99 1a4s n GLY 209 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1a4s n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4s s VAL 210 N -1.59 3.05 -0.05 1.61 0.11 -0.89 -4.94 120.40 117.71 1a4s s VAL 210 Ca 0.00 0.94 -0.39 0.00 -2.93 0.00 0.00 61.98 59.60 1a4s s VAL 210 Cb 0.00 -3.60 -0.18 0.00 -1.53 0.00 0.00 36.38 31.07 1a4s s VAL 210 CO 0.00 0.18 1.36 -2.65 -3.33 0.00 0.00 175.10 170.66 1a4s n PRO 211 N 1.90 0.76 -1.60 1.54 -0.02 -1.26 -4.76 135.00 131.56 1a4s n PRO 211 Ca 0.04 0.28 -0.50 0.00 -2.02 0.00 0.00 63.50 61.29 1a4s n PRO 211 Cb 0.42 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 1a4s n PRO 211 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a4s n VAL 212 N 2.74 0.33 -0.53 -1.45 0.31 -1.26 -1.42 118.33 117.04 1a4s n VAL 212 Ca 0.21 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1a4s n VAL 212 Cb 0.13 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1a4s n VAL 212 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a4s n GLY 213 N 2.45 0.76 0.36 2.92 0.00 -1.26 -4.32 105.19 106.10 1a4s n GLY 213 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1a4s n GLY 213 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4s h LEU 214 N 0.00 1.11 -8.10 0.99 5.85 -1.50 -3.20 115.31 110.46 1a4s h LEU 214 Ca 0.00 -0.05 -0.66 0.00 0.84 0.00 0.00 57.88 58.01 1a4s h LEU 214 Cb 0.00 -0.28 -0.35 0.00 0.37 0.00 0.00 40.66 40.40 1a4s h LEU 214 CO 0.00 0.83 -0.86 -0.69 -0.34 0.00 0.00 178.44 177.38 1a4s s VAL 215 N -6.04 1.96 0.11 1.05 1.01 -1.26 -0.72 120.40 116.51 1a4s s VAL 215 Ca -0.13 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1a4s s VAL 215 Cb 0.17 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1a4s s VAL 215 CO 0.82 0.53 -0.20 0.20 0.00 0.00 0.00 175.10 176.45 1a4s s ASN 216 N 1.08 2.47 -0.10 3.32 0.01 -0.01 -4.83 114.94 116.88 1a4s s ASN 216 Ca -0.01 -0.72 0.01 0.00 -0.71 0.00 0.00 52.86 51.43 1a4s s ASN 216 Cb -0.14 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.40 1a4s s ASN 216 CO -0.07 0.02 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.73 1a4s s VAL 217 N -1.37 1.25 -0.12 1.60 1.01 0.89 -1.44 120.40 122.22 1a4s s VAL 217 Ca 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1a4s s VAL 217 Cb -0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1a4s s VAL 217 CO 0.04 0.39 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 1a4s s VAL 218 N 1.16 2.37 0.31 2.92 -7.23 -0.41 -1.22 120.40 118.30 1a4s s VAL 218 Ca -0.04 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1a4s s VAL 218 Cb -0.14 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1a4s s VAL 218 CO -0.03 0.55 0.52 -1.10 -0.31 0.00 0.00 175.10 174.72 1a4s s GLN 219 N 0.44 3.51 0.00 4.82 -1.52 -1.26 -3.96 119.66 121.69 1a4s s GLN 219 Ca -0.14 -0.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.98 1a4s s GLN 219 Cb -0.17 -2.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.93 1a4s s GLN 219 CO 0.06 0.21 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 1a4s n GLY 220 N -1.44 0.66 0.00 3.09 0.00 -1.26 -0.83 105.19 105.41 1a4s n GLY 220 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1a4s n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4s n GLY 221 N -1.59 1.47 0.11 -0.02 0.00 -1.26 -4.13 105.19 99.78 1a4s n GLY 221 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1a4s n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4s h ALA 222 N -0.36 0.23 -0.62 4.61 0.00 -2.01 -0.71 119.26 120.41 1a4s h ALA 222 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1a4s h ALA 222 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1a4s h ALA 222 CO 0.00 -0.17 0.31 1.49 0.00 0.00 0.00 179.25 180.88 1a4s h GLU 223 N 0.13 0.54 -0.47 0.00 4.81 -1.96 0.25 114.58 117.89 1a4s h GLU 223 Ca 0.06 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1a4s h GLU 223 Cb 0.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1a4s h GLU 223 CO -0.00 0.36 -0.17 1.15 -0.73 0.00 0.00 179.01 179.61 1a4s h THR 224 N 0.56 1.27 -0.84 0.32 2.02 -1.53 -1.44 112.91 113.27 1a4s h THR 224 Ca 0.29 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1a4s h THR 224 Cb 0.25 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1a4s h THR 224 CO -0.22 0.46 0.47 1.23 0.37 0.00 0.00 175.52 177.83 1a4s h GLY 225 N 0.79 1.24 1.14 2.16 0.00 -0.65 -2.95 103.07 104.79 1a4s h GLY 225 Ca 0.11 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1a4s h GLY 225 CO 0.06 0.52 0.02 1.76 0.00 0.00 0.00 176.54 178.90 1a4s h SER 226 N 1.17 1.01 -0.91 0.19 0.02 -0.19 -2.50 113.55 112.33 1a4s h SER 226 Ca 0.30 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1a4s h SER 226 Cb 0.01 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1a4s h SER 226 CO -0.05 1.05 0.60 -0.07 -1.14 0.00 0.00 176.83 177.21 1a4s h LEU 227 N 0.95 1.01 -0.61 5.07 3.38 -1.12 -0.63 115.31 123.37 1a4s h LEU 227 Ca 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a4s h LEU 227 Cb 0.52 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1a4s h LEU 227 CO 0.03 0.71 0.38 -0.07 0.09 0.00 0.00 178.44 179.58 1a4s h LEU 228 N 1.19 0.72 -1.77 1.67 3.38 -1.38 -1.06 115.31 118.06 1a4s h LEU 228 Ca 0.35 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1a4s h LEU 228 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1a4s h LEU 228 CO -0.10 0.56 -0.15 0.00 0.09 0.00 0.00 178.44 178.84 1a4s n HIS 230 N -4.15 0.13 -2.08 0.00 8.25 -0.50 -4.31 115.22 112.55 1a4s n HIS 230 Ca -0.02 0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1a4s n HIS 230 Cb 0.23 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 1a4s n HIS 230 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1a4s s HIS 231 N -3.17 3.16 0.23 4.41 5.04 -0.41 -4.90 115.29 119.65 1a4s s HIS 231 Ca 0.04 0.83 0.32 0.00 -1.54 0.00 0.00 55.06 54.70 1a4s s HIS 231 Cb 0.15 -3.77 1.40 0.00 0.04 0.00 0.00 32.58 30.40 1a4s s HIS 231 CO 0.83 -2.77 2.01 -1.00 -2.34 0.00 0.00 174.74 171.47 1a4s h PRO 232 N 6.85 0.00 -0.54 2.88 0.13 -1.90 -2.79 132.00 136.62 1a4s h PRO 232 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1a4s h PRO 232 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1a4s h PRO 232 CO 0.88 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1a4s n ASN 233 N -3.26 4.05 -4.66 1.44 5.03 -1.26 -4.87 115.26 111.73 1a4s n ASN 233 Ca -0.00 -2.33 -0.38 0.00 0.87 0.00 0.00 54.58 52.74 1a4s n ASN 233 Cb 0.30 -0.47 -0.08 0.00 -1.02 0.00 0.00 39.78 38.51 1a4s n ASN 233 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a4s s VAL 234 N -1.60 5.18 -0.26 2.41 1.01 -1.06 -4.48 120.40 121.60 1a4s s VAL 234 Ca 0.43 0.72 0.21 0.00 0.00 0.00 0.00 61.98 63.33 1a4s s VAL 234 Cb 0.26 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.99 1a4s s VAL 234 CO 0.22 0.23 1.23 0.00 0.00 0.00 0.00 175.10 176.78 1a4s h ALA 235 N 7.48 0.69 -2.28 5.51 0.00 -1.35 -3.48 119.26 125.83 1a4s h ALA 235 Ca -0.35 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1a4s h ALA 235 Cb 1.16 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1a4s h ALA 235 CO 0.71 0.24 -0.02 0.21 0.00 0.00 0.00 179.25 180.39 1a4s s LYS 236 N -3.19 0.69 -0.06 0.00 2.20 -1.23 -2.57 119.74 115.59 1a4s s LYS 236 Ca 0.02 0.85 0.04 0.00 -0.36 0.00 0.00 55.97 56.52 1a4s s LYS 236 Cb 0.08 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1a4s s LYS 236 CO 0.75 -0.09 -0.16 0.08 -0.36 0.00 0.00 175.35 175.57 1a4s s VAL 237 N 0.40 2.88 -0.16 4.02 1.01 -0.34 -0.46 120.40 127.76 1a4s s VAL 237 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1a4s s VAL 237 Cb -0.04 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1a4s s VAL 237 CO -0.00 0.58 -0.19 -0.55 0.00 0.00 0.00 175.10 174.94 1a4s s SER 238 N -0.56 2.96 0.06 3.32 0.15 0.11 -2.21 113.70 117.52 1a4s s SER 238 Ca 0.08 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.23 1a4s s SER 238 Cb -0.11 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.80 1a4s s SER 238 CO 0.01 0.01 -0.20 0.12 1.20 0.00 0.00 173.24 174.37 1a4s s PHE 239 N 1.20 2.49 -0.04 3.44 5.36 -0.63 -0.90 117.98 128.90 1a4s s PHE 239 Ca 0.01 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1a4s s PHE 239 Cb -0.14 -1.42 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 1a4s s PHE 239 CO -0.09 0.25 -0.03 0.99 -1.46 0.00 0.00 175.22 174.88 1a4s s THR 240 N -0.93 0.44 -4.25 0.12 2.01 -0.76 -1.79 115.64 110.48 1a4s s THR 240 Ca 0.14 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1a4s s THR 240 Cb -0.10 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1a4s s THR 240 CO 0.05 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1a4s n GLY 241 N 4.21 -0.54 3.91 4.40 0.00 -0.94 -4.19 105.19 112.04 1a4s n GLY 241 Ca -0.23 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1a4s n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a4s s SER 242 N -4.00 6.15 0.09 1.61 1.04 -1.26 -3.25 113.70 114.07 1a4s s SER 242 Ca 0.00 0.93 -0.26 0.00 0.48 0.00 0.00 55.95 57.10 1a4s s SER 242 Cb 0.00 -2.18 -0.16 0.00 0.10 0.00 0.00 66.02 63.78 1a4s s SER 242 CO 0.00 -0.68 1.70 0.58 0.98 0.00 0.00 173.24 175.82 1a4s h VAL 243 N 0.11 0.79 -0.85 5.02 2.07 -1.95 0.12 116.25 121.56 1a4s h VAL 243 Ca -0.46 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1a4s h VAL 243 Cb 1.21 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1a4s h VAL 243 CO 0.61 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 178.07 1a4s h PRO 244 N -0.28 1.15 -0.10 1.57 0.11 -1.97 -0.31 132.00 132.17 1a4s h PRO 244 Ca -0.02 -0.10 -0.20 0.00 0.11 0.00 0.00 66.00 65.78 1a4s h PRO 244 Cb 0.22 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1a4s h PRO 244 CO 0.04 0.80 -0.76 1.15 -0.21 0.00 0.00 178.00 179.02 1a4s h THR 245 N 1.17 1.34 -0.84 -1.15 2.02 -1.80 -2.93 112.91 110.73 1a4s h THR 245 Ca 0.31 -2.10 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 1a4s h THR 245 Cb -0.05 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1a4s h THR 245 CO -0.06 0.64 0.44 1.23 0.37 0.00 0.00 175.52 178.15 1a4s h GLY 246 N 1.03 1.26 0.32 2.16 0.00 -0.00 -1.00 103.07 106.84 1a4s h GLY 246 Ca -0.04 -0.59 0.07 0.00 0.00 0.00 0.00 47.33 46.77 1a4s h GLY 246 CO 0.14 0.57 -0.03 0.50 0.00 0.00 0.00 176.54 177.71 1a4s h LYS 247 N 1.17 0.06 -0.82 4.80 1.57 -1.06 -1.15 116.57 121.15 1a4s h LYS 247 Ca 0.29 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1a4s h LYS 247 Cb 0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1a4s h LYS 247 CO -0.04 0.04 0.42 0.87 -0.57 0.00 0.00 179.45 180.17 1a4s h LYS 248 N 0.07 1.16 -0.43 3.15 1.79 -1.20 -2.26 116.57 118.85 1a4s h LYS 248 Ca 0.19 -0.16 0.07 0.00 -2.18 0.00 0.00 60.65 58.57 1a4s h LYS 248 Cb 0.28 -0.22 -0.06 0.00 -1.58 0.00 0.00 32.23 30.66 1a4s h LYS 248 CO -0.35 0.88 0.09 0.28 -1.08 0.00 0.00 179.45 179.27 1a4s h VAL 249 N 1.15 0.78 -0.37 0.50 2.07 -0.66 0.12 116.25 119.83 1a4s h VAL 249 Ca 0.28 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 1a4s h VAL 249 Cb 0.08 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1a4s h VAL 249 CO -0.04 0.04 0.23 -0.03 0.02 0.00 0.00 177.57 177.79 1a4s h MET 250 N 0.22 0.51 -0.15 1.57 1.85 -0.83 -0.37 114.93 117.74 1a4s h MET 250 Ca 0.21 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1a4s h MET 250 Cb 0.25 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1a4s h MET 250 CO -0.27 0.38 0.07 0.93 -0.40 0.00 0.00 176.91 177.62 1a4s h GLU 251 N 0.49 0.15 -0.50 0.39 5.08 -1.12 -1.82 114.58 117.25 1a4s h GLU 251 Ca 0.13 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1a4s h GLU 251 Cb -0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1a4s h GLU 251 CO -0.03 0.10 0.12 0.52 -1.00 0.00 0.00 179.01 178.72 1a4s h MET 252 N 0.15 0.75 0.00 2.33 2.86 -0.87 -2.58 114.93 117.58 1a4s h MET 252 Ca 0.06 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1a4s h MET 252 Cb 0.02 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1a4s h MET 252 CO -0.05 0.68 -0.05 0.77 1.06 0.00 0.00 176.91 179.33 1a4s h SER 253 N 0.73 0.00 0.43 1.22 0.02 -0.62 -2.80 113.55 112.54 1a4s h SER 253 Ca 0.16 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1a4s h SER 253 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1a4s h SER 253 CO -0.00 0.05 -0.13 0.00 -1.14 0.00 0.00 176.83 175.61 1a4s h ALA 254 N 1.95 1.24 -0.13 3.77 0.00 -0.91 -2.62 119.26 122.56 1a4s h ALA 254 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1a4s h ALA 254 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a4s h ALA 254 CO 0.01 0.16 -0.06 0.87 0.00 0.00 0.00 179.25 180.23 1a4s h LYS 255 N 0.00 0.19 -0.13 0.00 1.57 -1.62 -2.11 116.57 114.47 1a4s h LYS 255 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a4s h LYS 255 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1a4s h LYS 255 CO 0.02 0.27 0.00 2.41 -0.57 0.00 0.00 179.45 181.57 1a4s n THR 256 N -4.36 1.58 -3.83 -0.16 -1.04 -1.11 -5.00 114.28 100.36 1a4s n THR 256 Ca -0.01 -1.59 -0.28 0.00 -2.04 0.00 0.00 64.05 60.12 1a4s n THR 256 Cb 0.20 0.10 0.04 0.00 -1.82 0.00 0.00 70.33 68.85 1a4s n THR 256 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1a4s n VAL 257 N -0.59 -2.33 -2.45 12.58 0.31 -0.80 -4.94 118.33 120.11 1a4s n VAL 257 Ca 0.12 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 64.08 1a4s n VAL 257 Cb 0.56 -3.17 -0.03 0.00 -0.91 0.00 0.00 33.84 30.29 1a4s n VAL 257 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a4s s LYS 258 N -6.53 3.85 0.18 5.55 1.02 -1.01 -5.01 119.74 117.79 1a4s s LYS 258 Ca 0.63 1.52 -0.31 0.00 0.02 0.00 0.00 55.97 57.83 1a4s s LYS 258 Cb -0.31 -2.29 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 1a4s s LYS 258 CO 0.80 -0.41 1.56 -1.01 -0.92 0.00 0.00 175.35 175.37 1a4s s HIS 259 N -1.77 3.04 -0.02 3.18 3.76 -1.06 -4.88 115.29 117.54 1a4s s HIS 259 Ca 0.64 0.67 0.04 0.00 -0.15 0.00 0.00 55.06 56.26 1a4s s HIS 259 Cb -0.21 -3.93 -0.01 0.00 1.11 0.00 0.00 32.58 29.55 1a4s s HIS 259 CO 0.26 -3.36 -0.14 0.08 -0.85 0.00 0.00 174.74 170.73 1a4s s VAL 260 N 0.97 1.11 0.01 -0.90 1.01 -1.26 -1.19 120.40 120.15 1a4s s VAL 260 Ca 0.69 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1a4s s VAL 260 Cb -0.44 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1a4s s VAL 260 CO 0.33 0.32 -0.13 0.42 0.00 0.00 0.00 175.10 176.04 1a4s s THR 261 N -0.12 1.06 -0.04 3.92 -4.23 -0.94 -4.85 115.64 110.44 1a4s s THR 261 Ca 0.01 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 1a4s s THR 261 Cb -0.08 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.87 1a4s s THR 261 CO 0.00 0.20 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.45 1a4s s LEU 262 N -0.57 1.54 -0.39 4.79 1.43 -0.43 -1.60 118.68 123.46 1a4s s LEU 262 Ca 0.04 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1a4s s LEU 262 Cb -0.06 -0.57 0.11 0.00 0.03 0.00 0.00 46.19 45.70 1a4s s LEU 262 CO 0.00 0.00 0.13 -1.61 0.23 0.00 0.00 176.35 175.10 1a4s s GLU 263 N 0.65 1.41 0.00 1.70 0.41 -0.74 -1.38 118.70 120.75 1a4s s GLU 263 Ca -0.10 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 52.56 1a4s s GLU 263 Cb -0.13 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1a4s s GLU 263 CO 0.01 -1.02 0.00 1.28 -0.49 0.00 0.00 175.26 175.05 1a4s n LEU 264 N 4.03 0.00 0.00 1.80 4.32 0.72 -2.22 117.00 125.65 1a4s n LEU 264 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1a4s n LEU 264 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1a4s n LEU 264 CO 0.23 -0.41 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1a4s n GLY 265 N 5.00 1.35 3.12 -0.72 0.00 -1.20 -4.83 105.19 107.91 1a4s n GLY 265 Ca 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1a4s n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4s n GLY 266 N 5.00 1.26 2.52 -0.02 0.00 -1.23 -4.56 105.19 108.16 1a4s n GLY 266 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1a4s n GLY 266 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a4s n LYS 267 N -0.45 1.08 -2.02 1.61 3.00 -1.26 -4.40 118.16 115.72 1a4s n LYS 267 Ca -0.07 -2.90 -0.42 0.00 -0.00 0.00 0.00 58.31 54.93 1a4s n LYS 267 Cb 0.50 -1.18 -0.03 0.00 0.00 0.00 0.00 35.03 34.32 1a4s n LYS 267 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1a4s s SER 268 N -2.35 6.67 0.02 3.14 0.01 -1.23 -4.73 113.70 115.22 1a4s s SER 268 Ca 0.30 2.60 -0.19 0.00 1.31 0.00 0.00 55.95 59.97 1a4s s SER 268 Cb 0.39 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1a4s s SER 268 CO -0.03 -0.72 0.54 -2.16 0.41 0.00 0.00 173.24 171.28 1a4s s PRO 269 N 0.20 4.20 -0.21 12.44 0.04 -1.26 -1.23 135.00 149.18 1a4s s PRO 269 Ca 0.62 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1a4s s PRO 269 Cb -0.41 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 30.83 1a4s s PRO 269 CO 0.38 0.51 -0.07 -1.17 0.04 0.00 0.00 177.00 176.69 1a4s s LEU 270 N -0.63 2.75 -0.24 -3.56 2.96 -0.33 -1.12 118.68 118.51 1a4s s LEU 270 Ca 0.28 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1a4s s LEU 270 Cb -0.18 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1a4s s LEU 270 CO 0.16 -0.01 0.04 -0.76 -1.32 0.00 0.00 176.35 174.46 1a4s s LEU 271 N 1.43 3.34 -0.35 -0.68 1.43 0.47 -0.55 118.68 123.77 1a4s s LEU 271 Ca 0.06 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1a4s s LEU 271 Cb -0.14 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.28 1a4s s LEU 271 CO -0.05 -0.02 0.08 -0.63 0.23 0.00 0.00 176.35 175.97 1a4s s ILE 272 N 1.50 2.99 0.45 -0.59 -1.09 -0.50 0.44 121.20 124.39 1a4s s ILE 272 Ca 0.06 -1.79 -0.07 0.00 -2.23 0.00 0.00 60.65 56.62 1a4s s ILE 272 Cb -0.15 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 1a4s s ILE 272 CO 0.02 -0.40 0.76 -0.36 -1.23 0.00 0.00 174.94 173.73 1a4s s PHE 273 N 1.16 3.53 0.51 3.97 0.08 -0.37 -1.59 117.98 125.27 1a4s s PHE 273 Ca 0.02 0.87 0.41 0.00 0.12 0.00 0.00 56.93 58.35 1a4s s PHE 273 Cb -0.21 -2.33 2.14 0.00 -0.57 0.00 0.00 43.02 42.05 1a4s s PHE 273 CO -0.03 -0.20 2.27 1.57 -0.10 0.00 0.00 175.22 178.73 1a4s h LYS 274 N 0.62 0.00 -0.42 0.44 2.10 -1.88 0.09 116.57 117.53 1a4s h LYS 274 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1a4s h LYS 274 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1a4s h LYS 274 CO 0.63 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.68 1a4s n ASP 275 N -3.11 2.17 -4.47 7.07 5.75 -1.26 -4.97 116.55 117.72 1a4s n ASP 275 Ca -0.02 -2.04 -0.29 0.00 -0.01 0.00 0.00 54.79 52.43 1a4s n ASP 275 Cb 0.14 -0.28 0.19 0.00 -1.03 0.00 0.00 41.12 40.14 1a4s n ASP 275 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a4s s GLU 277 N -5.07 3.25 0.24 0.00 2.02 -1.26 -4.96 118.70 112.93 1a4s s GLU 277 Ca 0.67 -0.47 -0.05 0.00 0.02 0.00 0.00 54.97 55.14 1a4s s GLU 277 Cb -0.17 -4.10 0.46 0.00 0.10 0.00 0.00 34.13 30.42 1a4s s GLU 277 CO 0.57 -1.55 1.69 1.25 0.02 0.00 0.00 175.26 177.24 1a4s h LEU 278 N 10.96 0.02 -1.10 1.80 6.46 -1.96 -1.60 115.31 129.89 1a4s h LEU 278 Ca -0.27 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.58 1a4s h LEU 278 Cb 1.07 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 1a4s h LEU 278 CO 1.10 -0.03 0.07 -0.08 -0.62 0.00 0.00 178.44 178.88 1a4s h GLU 279 N 0.27 0.70 -0.36 1.25 4.57 -1.99 0.22 114.58 119.25 1a4s h GLU 279 Ca 0.42 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 58.28 1a4s h GLU 279 Cb 0.71 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1a4s h GLU 279 CO -0.51 0.67 -0.42 -0.91 -1.18 0.00 0.00 179.01 176.67 1a4s h ASN 280 N 0.68 0.99 -0.86 1.04 2.35 -1.75 -0.02 115.58 118.01 1a4s h ASN 280 Ca 0.15 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1a4s h ASN 280 Cb 0.32 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1a4s h ASN 280 CO 0.00 1.27 0.42 0.00 -1.65 0.00 0.00 177.43 177.48 1a4s h ALA 281 N 0.77 1.11 0.26 -0.83 0.00 -0.79 0.26 119.26 120.03 1a4s h ALA 281 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1a4s h ALA 281 Cb 1.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a4s h ALA 281 CO 0.10 0.66 -0.12 0.28 0.00 0.00 0.00 179.25 180.17 1a4s h VAL 282 N 1.22 0.75 -0.46 0.00 2.07 0.17 -0.49 116.25 119.51 1a4s h VAL 282 Ca 0.30 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.90 1a4s h VAL 282 Cb 0.10 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1a4s h VAL 282 CO -0.04 0.00 -0.06 0.03 0.02 0.00 0.00 177.57 177.52 1a4s h ARG 283 N -0.35 0.05 -0.38 1.57 3.08 -0.85 -2.02 114.38 115.48 1a4s h ARG 283 Ca -0.04 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1a4s h ARG 283 Cb 0.27 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1a4s h ARG 283 CO 0.06 0.03 0.03 0.78 -1.07 0.00 0.00 179.97 179.81 1a4s h GLY 284 N 0.05 0.41 1.16 0.04 0.00 -0.08 0.11 103.07 104.77 1a4s h GLY 284 Ca 0.23 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 1a4s h GLY 284 CO -0.43 -0.07 0.08 0.00 0.00 0.00 0.00 176.54 176.12 1a4s h ALA 285 N 1.31 0.97 -0.17 3.60 0.00 -0.76 0.87 119.26 125.07 1a4s h ALA 285 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a4s h ALA 285 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a4s h ALA 285 CO -0.28 0.64 0.05 -0.07 0.00 0.00 0.00 179.25 179.59 1a4s h LEU 286 N 0.96 0.26 -0.75 0.00 4.07 -1.06 -2.36 115.31 116.42 1a4s h LEU 286 Ca 0.19 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1a4s h LEU 286 Cb 0.44 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1a4s h LEU 286 CO 0.01 0.40 0.00 0.24 -1.08 0.00 0.00 178.44 178.01 1a4s h MET 287 N 0.10 0.00 0.00 1.13 2.86 -0.47 -1.74 114.93 116.80 1a4s h MET 287 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1a4s h MET 287 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1a4s h MET 287 CO -0.00 0.00 -0.58 0.00 1.06 0.00 0.00 176.91 177.39 1a4s n ALA 288 N -1.82 3.51 0.00 6.32 0.00 0.27 -4.47 120.51 124.33 1a4s n ALA 288 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1a4s n ALA 288 Cb 0.25 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1a4s n ALA 288 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a4s n ASN 289 N -1.61 3.98 -0.39 0.00 3.02 -0.73 -1.06 115.26 118.47 1a4s n ASN 289 Ca 0.05 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.65 1a4s n ASN 289 Cb 0.36 0.50 0.12 0.00 -0.61 0.00 0.00 39.78 40.15 1a4s n ASN 289 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1a4s n PHE 290 N -1.57 0.33 -2.29 3.10 3.72 -0.77 -3.99 117.46 115.99 1a4s n PHE 290 Ca 0.00 -0.64 -0.37 0.00 -0.05 0.00 0.00 57.45 56.40 1a4s n PHE 290 Cb 0.30 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 1a4s n PHE 290 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1a4s s LEU 291 N -1.58 4.00 -1.43 4.37 1.43 -1.26 -3.80 118.68 120.40 1a4s s LEU 291 Ca 0.20 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1a4s s LEU 291 Cb 0.14 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 42.12 1a4s s LEU 291 CO 0.08 -0.90 0.53 0.41 0.23 0.00 0.00 176.35 176.70 1a4s n THR 292 N -0.52 -2.98 -1.94 5.49 -1.04 -1.26 -1.27 114.28 110.76 1a4s n THR 292 Ca 0.07 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.05 61.48 1a4s n THR 292 Cb 0.48 -2.72 -0.05 0.00 -1.82 0.00 0.00 70.33 66.22 1a4s n THR 292 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a4s n GLN 293 N -4.40 -1.58 -1.02 -2.82 3.00 -1.25 -1.52 117.38 107.79 1a4s n GLN 293 Ca -0.25 1.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.80 1a4s n GLN 293 Cb 0.65 -5.55 -0.00 0.00 0.00 0.00 0.00 30.24 25.34 1a4s n GLN 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a4s n GLY 294 N -0.64 0.48 2.71 1.08 0.00 -0.39 -2.85 105.19 105.57 1a4s n GLY 294 Ca -0.21 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1a4s n GLY 294 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a4s n GLN 295 N -2.68 4.97 -4.11 1.61 6.02 -0.58 -2.77 117.38 119.86 1a4s n GLN 295 Ca -0.01 -4.70 -0.22 0.00 -0.01 0.00 0.00 57.00 52.07 1a4s n GLN 295 Cb 0.06 -2.43 -0.17 0.00 1.02 0.00 0.00 30.24 28.72 1a4s n GLN 295 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1a4s s VAL 296 N -4.23 0.66 0.26 5.09 1.01 -1.26 -4.84 120.40 117.09 1a4s s VAL 296 Ca 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1a4s s VAL 296 Cb 0.20 -0.69 0.25 0.00 0.00 0.00 0.00 36.38 36.14 1a4s s VAL 296 CO -0.11 0.27 1.86 0.00 0.00 0.00 0.00 175.10 177.12 1a4s n THR 298 N -4.57 0.00 -1.66 0.00 -2.24 -1.26 -3.55 114.28 101.00 1a4s n THR 298 Ca 0.15 -0.07 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 1a4s n THR 298 Cb 0.21 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1a4s n THR 298 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a4s n ASN 299 N -0.69 2.51 -4.55 3.42 5.03 -0.95 -4.72 115.26 115.31 1a4s n ASN 299 Ca 0.22 1.15 -0.42 0.00 0.87 0.00 0.00 54.58 56.39 1a4s n ASN 299 Cb 0.19 -1.40 -0.01 0.00 -1.02 0.00 0.00 39.78 37.54 1a4s n ASN 299 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1a4s s GLY 300 N 0.17 1.58 0.00 7.41 0.00 -0.23 -3.57 107.32 112.67 1a4s s GLY 300 Ca 0.67 -2.67 0.24 0.00 0.00 0.00 0.00 44.72 42.96 1a4s s GLY 300 CO 0.51 2.59 1.26 -1.30 0.00 0.00 0.00 173.10 176.16 1a4s n THR 301 N 6.37 0.00 -3.65 0.90 -2.24 -0.36 -4.40 114.28 110.90 1a4s n THR 301 Ca 0.39 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.70 1a4s n THR 301 Cb 0.48 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 1a4s n THR 301 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a4s s ARG 302 N -2.77 2.30 -0.42 -0.78 0.52 -1.12 -2.04 118.95 114.63 1a4s s ARG 302 Ca 0.15 -1.84 -0.18 0.00 -0.52 0.00 0.00 55.73 53.34 1a4s s ARG 302 Cb 0.18 -3.78 0.02 0.00 0.52 0.00 0.00 34.95 31.88 1a4s s ARG 302 CO 0.67 -1.15 0.50 0.08 0.02 0.00 0.00 175.30 175.43 1a4s s VAL 303 N 1.19 5.01 -0.26 3.52 1.01 0.76 -1.18 120.40 130.44 1a4s s VAL 303 Ca 0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1a4s s VAL 303 Cb -0.24 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1a4s s VAL 303 CO -0.02 -0.45 0.27 -0.36 0.00 0.00 0.00 175.10 174.53 1a4s s PHE 304 N 2.35 3.26 -0.11 5.22 0.08 0.29 -1.20 117.98 127.88 1a4s s PHE 304 Ca 0.16 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.52 1a4s s PHE 304 Cb -0.16 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 39.85 1a4s s PHE 304 CO 0.15 -0.14 -0.20 0.08 -0.10 0.00 0.00 175.22 175.01 1a4s s VAL 305 N 1.72 1.81 0.18 -0.44 1.01 0.81 -1.41 120.40 124.09 1a4s s VAL 305 Ca 0.11 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.92 1a4s s VAL 305 Cb -0.15 -1.60 -0.11 0.00 0.00 0.00 0.00 36.38 34.52 1a4s s VAL 305 CO 0.09 0.50 1.73 -1.58 0.00 0.00 0.00 175.10 175.84 1a4s s GLN 306 N 0.62 4.14 0.32 2.72 0.74 -0.62 -2.12 119.66 125.47 1a4s s GLN 306 Ca -0.13 2.57 0.06 0.00 0.05 0.00 0.00 55.36 57.91 1a4s s GLN 306 Cb -0.16 -3.22 0.88 0.00 1.10 0.00 0.00 33.01 31.61 1a4s s GLN 306 CO 0.04 -0.76 1.55 -2.13 -0.55 0.00 0.00 175.29 173.44 1a4s n ARG 307 N 4.43 -0.07 0.01 1.67 0.63 -0.56 -1.41 116.66 121.36 1a4s n ARG 307 Ca 0.16 1.45 0.08 0.00 -0.92 0.00 0.00 57.85 58.62 1a4s n ARG 307 Cb 0.36 -2.37 0.50 0.00 0.45 0.00 0.00 32.46 31.40 1a4s n ARG 307 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1a4s h GLU 308 N 0.00 0.38 -0.22 -0.14 3.07 -1.88 -2.65 114.58 113.14 1a4s h GLU 308 Ca 0.65 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1a4s h GLU 308 Cb 1.45 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1a4s h GLU 308 CO -0.89 0.25 0.00 0.44 -1.40 0.00 0.00 179.01 177.41 1a4s n ILE 309 N -4.48 0.40 -0.19 3.13 -5.35 -0.50 -4.74 119.36 107.63 1a4s n ILE 309 Ca 0.05 -0.70 -0.03 0.00 -0.27 0.00 0.00 62.75 61.79 1a4s n ILE 309 Cb 0.19 1.00 0.07 0.00 -1.74 0.00 0.00 39.64 39.16 1a4s n ILE 309 CO 0.00 0.00 0.00 -0.03 -1.76 0.00 0.00 176.55 174.76 1a4s h MET 310 N 3.11 0.55 0.12 6.28 4.05 -1.37 -0.81 114.93 126.86 1a4s h MET 310 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1a4s h MET 310 Cb 0.74 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1a4s h MET 310 CO 0.00 0.36 -0.11 -1.35 0.23 0.00 0.00 176.91 176.04 1a4s h PRO 311 N 0.56 -0.24 -0.06 0.39 0.11 -1.85 -0.74 132.00 130.18 1a4s h PRO 311 Ca 0.26 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 1a4s h PRO 311 Cb 0.17 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1a4s h PRO 311 CO -0.18 -0.16 -0.40 -0.56 -0.21 0.00 0.00 178.00 176.50 1a4s h GLN 312 N -0.24 0.13 0.20 1.05 -0.00 -1.85 -1.68 115.11 112.71 1a4s h GLN 312 Ca 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1a4s h GLN 312 Cb 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 1a4s h GLN 312 CO -0.02 0.51 -0.09 0.35 -0.00 0.00 0.00 178.83 179.58 1a4s h PHE 313 N 0.11 -0.24 -0.65 0.06 3.57 -0.71 -2.90 116.94 116.18 1a4s h PHE 313 Ca 0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1a4s h PHE 313 Cb 0.76 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1a4s h PHE 313 CO 0.01 -0.04 0.38 -0.07 -2.23 0.00 0.00 178.31 176.36 1a4s h LEU 314 N -0.41 0.59 0.07 0.59 4.07 -0.97 -0.17 115.31 119.07 1a4s h LEU 314 Ca -0.03 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1a4s h LEU 314 Cb 0.32 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.92 1a4s h LEU 314 CO 0.04 0.39 -0.25 -0.08 -1.08 0.00 0.00 178.44 177.47 1a4s h GLU 315 N 0.72 -0.41 -0.03 1.13 4.81 -1.30 -1.49 114.58 118.01 1a4s h GLU 315 Ca 0.28 0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 1a4s h GLU 315 Cb 0.11 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1a4s h GLU 315 CO -0.15 -0.27 -0.71 1.49 -0.73 0.00 0.00 179.01 178.64 1a4s h GLU 316 N -0.42 0.17 -0.03 1.92 4.57 -1.29 -2.93 114.58 116.56 1a4s h GLU 316 Ca 0.04 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 57.92 1a4s h GLU 316 Cb 0.47 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1a4s h GLU 316 CO -0.18 0.81 -0.71 -0.24 -1.18 0.00 0.00 179.01 177.51 1a4s h VAL 317 N 0.12 1.45 -0.24 0.32 3.04 -0.82 -1.80 116.25 118.31 1a4s h VAL 317 Ca -0.02 -2.29 -0.17 0.00 -1.01 0.00 0.00 66.70 63.21 1a4s h VAL 317 Cb 1.25 2.22 -0.00 0.00 -2.01 0.00 0.00 31.29 32.75 1a4s h VAL 317 CO 0.11 0.67 -0.54 0.58 -1.01 0.00 0.00 177.57 177.37 1a4s h VAL 318 N 0.11 1.30 -0.47 1.51 2.07 -1.32 -1.36 116.25 118.08 1a4s h VAL 318 Ca -0.02 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.65 1a4s h VAL 318 Cb 1.26 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1a4s h VAL 318 CO 0.11 0.56 -0.07 0.50 0.02 0.00 0.00 177.57 178.69 1a4s h LYS 319 N 0.56 0.88 -0.35 1.57 3.64 -1.33 -1.84 116.57 119.71 1a4s h LYS 319 Ca 0.01 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1a4s h LYS 319 Cb 1.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1a4s h LYS 319 CO 0.11 0.96 -0.17 0.00 -2.27 0.00 0.00 179.45 178.07 1a4s h ARG 320 N 0.73 0.64 -0.19 1.90 2.47 -1.25 -1.45 114.38 117.23 1a4s h ARG 320 Ca 0.13 -0.22 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 1a4s h ARG 320 Cb 0.60 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1a4s h ARG 320 CO 0.04 0.78 -0.19 1.15 0.56 0.00 0.00 179.97 182.31 1a4s h THR 321 N 0.57 1.33 -0.14 2.04 2.02 -1.11 -2.84 112.91 114.79 1a4s h THR 321 Ca 0.09 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1a4s h THR 321 Cb 0.62 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1a4s h THR 321 CO 0.04 0.41 0.09 0.11 0.37 0.00 0.00 175.52 176.54 1a4s h LYS 322 N 0.12 0.15 0.00 6.66 1.57 -1.28 -1.64 116.57 122.15 1a4s h LYS 322 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1a4s h LYS 322 Cb 0.73 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1a4s h LYS 322 CO 0.05 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1a4s n ALA 323 N -2.53 1.93 -1.67 3.86 0.00 -0.55 -4.82 120.51 116.73 1a4s n ALA 323 Ca -0.01 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1a4s n ALA 323 Cb 0.10 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1a4s n ALA 323 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1a4s n ILE 324 N -2.03 0.61 -2.55 0.00 5.41 -0.62 -4.94 119.36 115.24 1a4s n ILE 324 Ca 0.04 -0.11 -0.43 0.00 1.00 0.00 0.00 62.75 63.25 1a4s n ILE 324 Cb 0.29 -2.17 -0.02 0.00 -0.71 0.00 0.00 39.64 37.03 1a4s n ILE 324 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1a4s s VAL 325 N 3.84 4.36 -0.29 1.39 1.01 -1.26 -4.92 120.40 124.52 1a4s s VAL 325 Ca 0.88 1.56 -0.08 0.00 0.00 0.00 0.00 61.98 64.33 1a4s s VAL 325 Cb -0.50 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.57 1a4s s VAL 325 CO 0.42 -0.48 0.10 -0.69 0.00 0.00 0.00 175.10 174.46 1a4s s VAL 326 N 3.92 4.23 0.00 2.92 1.01 -1.26 0.02 120.40 131.24 1a4s s VAL 326 Ca 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1a4s s VAL 326 Cb -0.14 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1a4s s VAL 326 CO 0.18 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1a4s n GLY 327 N 4.92 0.60 3.66 4.51 0.00 -0.78 -4.89 105.19 113.20 1a4s n GLY 327 Ca -0.15 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1a4s n GLY 327 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4s s ASP 328 N 2.00 6.88 0.56 1.61 2.15 -1.26 -4.44 116.67 124.16 1a4s s ASP 328 Ca 0.00 1.81 0.34 0.00 0.43 0.00 0.00 52.55 55.13 1a4s s ASP 328 Cb 0.00 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.59 1a4s s ASP 328 CO 0.00 -0.80 2.04 1.55 -0.17 0.00 0.00 175.17 177.79 1a4s h PRO 329 N 8.50 0.00 0.00 4.34 0.13 -1.87 -1.95 132.00 141.15 1a4s h PRO 329 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1a4s h PRO 329 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a4s h PRO 329 CO 0.97 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 180.05 1a4s n LEU 330 N -3.18 0.00 -4.79 1.56 4.32 -1.26 -1.37 117.00 112.28 1a4s n LEU 330 Ca -0.00 0.39 -0.37 0.00 -0.02 0.00 0.00 56.01 56.01 1a4s n LEU 330 Cb 0.27 -0.39 -0.06 0.00 -1.62 0.00 0.00 43.42 41.62 1a4s n LEU 330 CO 0.27 -0.05 0.55 -0.76 -1.22 0.00 0.00 177.39 176.17 1a4s s LEU 331 N -2.78 4.40 0.55 2.23 1.02 -0.73 -4.87 118.68 118.50 1a4s s LEU 331 Ca 0.18 1.68 0.34 0.00 0.02 0.00 0.00 54.13 56.35 1a4s s LEU 331 Cb 0.17 -3.73 1.49 0.00 0.02 0.00 0.00 46.19 44.14 1a4s s LEU 331 CO 0.43 0.03 2.04 0.71 0.02 0.00 0.00 176.35 179.57 1a4s h THR 332 N 2.80 0.12 -0.01 5.49 1.35 -1.89 -2.94 112.91 117.83 1a4s h THR 332 Ca -0.47 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1a4s h THR 332 Cb 1.19 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1a4s h THR 332 CO 0.65 0.04 -0.61 -1.84 -0.25 0.00 0.00 175.52 173.51 1a4s n GLU 333 N -3.18 0.54 -2.00 4.72 0.00 -1.26 -4.84 120.64 114.62 1a4s n GLU 333 Ca -0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 57.16 56.38 1a4s n GLU 333 Cb 0.28 -1.49 0.02 0.00 0.00 0.00 0.00 31.44 30.25 1a4s n GLU 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1a4s s THR 334 N -2.74 2.56 0.00 3.84 2.01 -1.11 -4.76 115.64 115.44 1a4s s THR 334 Ca 0.15 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1a4s s THR 334 Cb 0.18 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.50 1a4s s THR 334 CO 0.68 -0.03 0.16 0.54 -0.69 0.00 0.00 174.62 175.27 1a4s n ARG 335 N -1.10 1.95 -3.70 4.92 5.12 0.10 -4.86 116.66 119.10 1a4s n ARG 335 Ca 0.11 -0.16 -0.11 0.00 -1.93 0.00 0.00 57.85 55.77 1a4s n ARG 335 Cb 0.48 -0.56 -0.11 0.00 -1.16 0.00 0.00 32.46 31.10 1a4s n ARG 335 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1a4s s MET 336 N -0.32 0.39 0.00 5.56 1.75 -0.85 -4.86 119.30 120.96 1a4s s MET 336 Ca 0.00 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 1a4s s MET 336 Cb 0.00 -0.02 0.00 0.00 2.84 0.00 0.00 34.83 37.65 1a4s s MET 336 CO 0.00 -0.15 0.00 0.41 -0.65 0.00 0.00 175.02 174.63 1a4s n GLY 337 N 4.18 2.30 3.90 2.11 0.00 -1.26 -1.87 105.19 114.56 1a4s n GLY 337 Ca -0.23 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 1a4s n GLY 337 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a4s s GLY 338 N -0.49 1.74 0.89 -0.02 0.00 -1.25 -4.81 107.32 103.38 1a4s s GLY 338 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 1a4s s GLY 338 CO 0.00 -0.34 1.13 1.08 0.00 0.00 0.00 173.10 174.97 1a4s s LEU 339 N -4.00 2.12 0.42 0.66 1.43 0.07 -4.67 118.68 114.70 1a4s s LEU 339 Ca 0.46 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 1a4s s LEU 339 Cb -0.10 -3.43 0.89 0.00 0.03 0.00 0.00 46.19 43.58 1a4s s LEU 339 CO 0.34 -2.45 2.05 -0.29 0.23 0.00 0.00 176.35 176.23 1a4s h ILE 340 N -1.43 1.10 -3.27 -0.59 -0.00 -1.88 -3.42 117.51 108.02 1a4s h ILE 340 Ca -0.50 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.10 1a4s h ILE 340 Cb 1.32 0.66 -0.06 0.00 -0.00 0.00 0.00 36.82 38.74 1a4s h ILE 340 CO 0.61 0.11 0.10 -0.94 -0.00 0.00 0.00 178.15 178.03 1a4s s SER 341 N -6.76 -0.12 0.00 2.19 1.04 -1.26 -4.79 113.70 104.01 1a4s s SER 341 Ca -0.08 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.33 1a4s s SER 341 Cb 0.17 0.69 -0.21 0.00 0.10 0.00 0.00 66.02 66.77 1a4s s SER 341 CO 0.73 -1.32 1.14 0.50 0.98 0.00 0.00 173.24 175.27 1a4s h LYS 342 N 2.09 0.37 -0.47 4.02 1.63 -1.97 -2.26 116.57 119.99 1a4s h LYS 342 Ca -0.23 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.21 1a4s h LYS 342 Cb 1.25 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 1a4s h LYS 342 CO 0.30 1.00 0.25 -1.35 -3.45 0.00 0.00 179.45 176.20 1a4s h PRO 343 N -0.13 0.64 -0.21 1.90 0.11 -1.98 -0.08 132.00 132.24 1a4s h PRO 343 Ca -0.04 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1a4s h PRO 343 Cb 1.13 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1a4s h PRO 343 CO 0.09 0.48 -0.11 1.96 -0.21 0.00 0.00 178.00 180.20 1a4s h GLN 344 N 0.65 0.45 -0.38 1.05 1.08 -1.96 -1.20 115.11 114.79 1a4s h GLN 344 Ca 0.17 -0.20 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1a4s h GLN 344 Cb 0.03 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1a4s h GLN 344 CO -0.03 0.74 0.19 1.25 -0.95 0.00 0.00 178.83 180.03 1a4s h LEU 345 N 0.15 0.28 -0.55 1.46 5.85 -0.89 -0.28 115.31 121.33 1a4s h LEU 345 Ca 0.05 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1a4s h LEU 345 Cb 0.61 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1a4s h LEU 345 CO 0.03 0.21 0.28 0.44 -0.34 0.00 0.00 178.44 179.06 1a4s h ASP 346 N 0.39 0.71 -0.45 1.25 3.32 -0.96 0.89 116.42 121.56 1a4s h ASP 346 Ca 0.16 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1a4s h ASP 346 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1a4s h ASP 346 CO -0.11 0.62 0.19 0.50 -1.72 0.00 0.00 179.24 178.72 1a4s h LYS 347 N 0.74 0.66 -0.55 3.56 3.64 -0.96 0.13 116.57 123.79 1a4s h LYS 347 Ca 0.19 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1a4s h LYS 347 Cb 0.09 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1a4s h LYS 347 CO -0.03 0.59 0.33 0.28 -2.27 0.00 0.00 179.45 178.36 1a4s h VAL 348 N 0.58 1.16 -0.43 2.00 2.07 -0.65 -0.87 116.25 120.11 1a4s h VAL 348 Ca 0.15 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1a4s h VAL 348 Cb 0.17 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1a4s h VAL 348 CO -0.01 0.16 -0.05 -0.07 0.02 0.00 0.00 177.57 177.62 1a4s h LEU 349 N 0.73 0.70 -0.97 2.57 3.38 -0.69 -2.29 115.31 118.75 1a4s h LEU 349 Ca 0.20 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1a4s h LEU 349 Cb -0.02 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 1a4s h LEU 349 CO -0.04 0.80 0.62 1.23 0.09 0.00 0.00 178.44 181.14 1a4s h GLY 350 N 0.96 1.49 0.98 0.83 0.00 -0.11 -1.77 103.07 105.46 1a4s h GLY 350 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1a4s h GLY 350 CO 0.03 0.30 0.16 0.74 0.00 0.00 0.00 176.54 177.77 1a4s h PHE 351 N 1.11 0.34 -0.48 5.60 0.04 -0.59 -1.21 116.94 121.74 1a4s h PHE 351 Ca 0.43 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.13 1a4s h PHE 351 Cb 0.21 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1a4s h PHE 351 CO -0.01 0.24 0.02 0.28 -0.60 0.00 0.00 178.31 178.24 1a4s h VAL 352 N 0.34 1.24 -0.45 -0.55 2.07 -1.24 -0.01 116.25 117.64 1a4s h VAL 352 Ca 0.09 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 1a4s h VAL 352 Cb -0.01 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1a4s h VAL 352 CO -0.02 0.34 -0.05 0.00 0.02 0.00 0.00 177.57 177.86 1a4s h ALA 353 N 1.28 0.62 -0.75 1.67 0.00 -1.23 -2.27 119.26 118.58 1a4s h ALA 353 Ca 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1a4s h ALA 353 Cb 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1a4s h ALA 353 CO 0.02 0.46 0.38 0.37 0.00 0.00 0.00 179.25 180.48 1a4s h GLN 354 N 0.68 1.06 -0.34 0.00 4.15 -0.98 -2.01 115.11 117.67 1a4s h GLN 354 Ca 0.12 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1a4s h GLN 354 Cb 0.57 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1a4s h GLN 354 CO 0.03 0.80 0.19 0.00 -1.93 0.00 0.00 178.83 177.92 1a4s h ALA 355 N 1.36 0.44 -0.29 3.38 0.00 -0.82 -1.40 119.26 121.93 1a4s h ALA 355 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1a4s h ALA 355 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1a4s h ALA 355 CO -0.04 -0.04 0.03 1.57 0.00 0.00 0.00 179.25 180.77 1a4s h LYS 356 N 0.43 0.43 0.00 0.00 2.10 -0.98 0.12 116.57 118.66 1a4s h LYS 356 Ca 0.12 -0.07 -0.06 0.00 -2.00 0.00 0.00 60.65 58.63 1a4s h LYS 356 Cb 0.05 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1a4s h LYS 356 CO -0.02 0.43 -0.30 0.87 -2.00 0.00 0.00 179.45 178.43 1a4s h LYS 357 N 0.42 0.00 -0.00 0.07 1.57 -0.76 -2.10 116.57 115.76 1a4s h LYS 357 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1a4s h LYS 357 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1a4s h LYS 357 CO 0.00 0.30 -0.20 0.39 -0.57 0.00 0.00 179.45 179.38 1a4s n GLU 358 N -3.83 0.66 0.00 3.15 1.02 -0.59 -4.92 120.64 116.13 1a4s n GLU 358 Ca -0.01 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1a4s n GLU 358 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1a4s n GLU 358 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a4s n GLY 359 N 1.33 1.06 3.74 0.62 0.00 -0.79 -5.07 105.19 106.08 1a4s n GLY 359 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1a4s n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4s s ALA 360 N -2.00 2.15 -0.25 4.61 0.00 0.35 -4.92 121.76 121.70 1a4s s ALA 360 Ca 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 1a4s s ALA 360 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1a4s s ALA 360 CO 0.00 -1.81 0.01 0.50 0.00 0.00 0.00 175.76 174.46 1a4s s ARG 361 N -4.35 3.29 -0.31 0.00 3.00 0.67 -4.39 118.95 116.87 1a4s s ARG 361 Ca 0.67 -0.70 -0.29 0.00 -1.00 0.00 0.00 55.73 54.41 1a4s s ARG 361 Cb -0.22 -3.18 0.01 0.00 0.00 0.00 0.00 34.95 31.56 1a4s s ARG 361 CO 0.49 -0.29 1.18 0.08 0.00 0.00 0.00 175.30 176.76 1a4s s VAL 362 N 1.50 4.34 -0.29 7.11 1.01 -1.26 -0.48 120.40 132.33 1a4s s VAL 362 Ca 0.04 1.53 0.23 0.00 0.00 0.00 0.00 61.98 63.78 1a4s s VAL 362 Cb -0.16 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1a4s s VAL 362 CO -0.00 -0.48 1.07 0.18 0.00 0.00 0.00 175.10 175.86 1a4s n LEU 363 N 7.19 0.83 -3.59 3.92 4.77 0.13 -4.96 117.00 125.28 1a4s n LEU 363 Ca 0.13 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1a4s n LEU 363 Cb 0.47 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1a4s n LEU 363 CO 0.61 -0.17 0.95 0.00 -1.33 0.00 0.00 177.39 177.45 1a4s n GLY 365 N 0.14 0.97 1.42 0.00 0.00 -1.25 -2.42 105.19 104.05 1a4s n GLY 365 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1a4s n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4s n GLY 366 N 0.00 0.57 3.19 -0.02 0.00 -0.68 -4.88 105.19 103.37 1a4s n GLY 366 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1a4s n GLY 366 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4s s GLU 367 N -1.49 0.89 0.63 1.61 2.02 -1.26 -4.89 118.70 116.21 1a4s s GLU 367 Ca 0.00 -1.37 -0.18 0.00 0.02 0.00 0.00 54.97 53.44 1a4s s GLU 367 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.92 1a4s s GLU 367 CO 0.00 -0.01 1.19 -2.30 0.02 0.00 0.00 175.26 174.16 1a4s n PRO 368 N -0.08 1.08 -3.86 0.39 -0.02 -1.26 -1.80 135.00 129.44 1a4s n PRO 368 Ca -0.11 0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1a4s n PRO 368 Cb 0.61 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 1a4s n PRO 368 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1a4s s LEU 369 N -3.53 1.88 -0.29 2.45 0.20 -0.81 -4.71 118.68 113.86 1a4s s LEU 369 Ca 0.80 0.06 0.03 0.00 0.69 0.00 0.00 54.13 55.71 1a4s s LEU 369 Cb -0.39 0.10 0.08 0.00 -0.43 0.00 0.00 46.19 45.54 1a4s s LEU 369 CO 0.43 -0.01 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.55 1a4s s THR 370 N 0.02 2.19 0.89 3.68 2.01 -1.26 -4.42 115.64 118.75 1a4s s THR 370 Ca -0.00 -1.94 -0.12 0.00 0.31 0.00 0.00 61.69 59.95 1a4s s THR 370 Cb -0.00 -2.44 0.10 0.00 0.01 0.00 0.00 72.50 70.17 1a4s s THR 370 CO 0.00 -0.29 1.02 -2.65 -0.69 0.00 0.00 174.62 172.01 1a4s n PRO 371 N 4.36 -0.22 -0.04 4.92 -0.02 -1.26 -4.96 135.00 137.77 1a4s n PRO 371 Ca -0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.34 1a4s n PRO 371 Cb 0.42 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1a4s n PRO 371 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1a4s h SER 372 N -1.51 -0.05 -2.29 2.55 0.02 -1.98 -3.43 113.55 106.87 1a4s h SER 372 Ca -0.44 0.04 -0.55 0.00 -0.84 0.00 0.00 61.79 60.00 1a4s h SER 372 Cb 1.28 0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.91 1a4s h SER 372 CO 0.41 0.01 1.22 -0.67 -1.14 0.00 0.00 176.83 176.66 1a4s n ASP 373 N -5.12 4.04 -0.04 3.07 -0.08 -1.26 -4.89 116.55 112.27 1a4s n ASP 373 Ca -0.02 0.90 0.18 0.00 -1.51 0.00 0.00 54.79 54.34 1a4s n ASP 373 Cb 0.10 -1.50 0.63 0.00 2.34 0.00 0.00 41.12 42.69 1a4s n ASP 373 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a4s h PRO 374 N 10.44 0.13 0.00 -0.67 0.11 -2.02 -2.51 132.00 137.47 1a4s h PRO 374 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a4s h PRO 374 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1a4s h PRO 374 CO 0.94 0.09 0.00 0.36 -0.21 0.00 0.00 178.00 179.18 1a4s n LYS 375 N -4.41 0.05 -0.02 1.05 2.85 -1.26 -2.36 118.16 114.06 1a4s n LYS 375 Ca 0.11 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.56 1a4s n LYS 375 Cb 0.56 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.64 1a4s n LYS 375 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1a4s n LEU 376 N -1.47 2.69 0.11 -5.58 4.32 -0.94 -4.57 117.00 111.55 1a4s n LEU 376 Ca 0.07 -0.92 0.07 0.00 -0.02 0.00 0.00 56.01 55.20 1a4s n LEU 376 Cb 0.27 -0.02 0.53 0.00 -1.62 0.00 0.00 43.42 42.58 1a4s n LEU 376 CO 0.22 0.46 1.13 0.11 -1.22 0.00 0.00 177.39 178.09 1a4s h LYS 377 N 4.14 0.29 -0.69 3.23 6.56 -1.58 -2.02 116.57 126.50 1a4s h LYS 377 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1a4s h LYS 377 Cb 0.88 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1a4s h LYS 377 CO 0.00 0.19 0.00 0.09 -2.06 0.00 0.00 179.45 177.67 1a4s n ASN 378 N -4.50 4.49 -4.74 0.86 5.03 -1.25 -4.96 115.26 110.18 1a4s n ASN 378 Ca 0.01 -2.28 -0.29 0.00 0.87 0.00 0.00 54.58 52.89 1a4s n ASN 378 Cb 0.11 -0.55 0.15 0.00 -1.02 0.00 0.00 39.78 38.46 1a4s n ASN 378 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1a4s s GLY 379 N -0.93 1.58 -1.21 7.41 0.00 -0.76 -3.66 107.32 109.74 1a4s s GLY 379 Ca 0.51 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.76 1a4s s GLY 379 CO 0.28 0.16 1.92 -1.72 0.00 0.00 0.00 173.10 173.74 1a4s n TYR 380 N -3.91 2.65 -3.90 1.90 4.01 -0.33 -4.91 117.16 112.67 1a4s n TYR 380 Ca 0.06 -2.71 -0.34 0.00 -0.16 0.00 0.00 57.90 54.75 1a4s n TYR 380 Cb 0.58 -1.65 -0.05 0.00 -0.31 0.00 0.00 39.34 37.91 1a4s n TYR 380 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1a4s s PHE 381 N -1.41 3.56 0.13 -0.72 0.08 -1.26 -0.75 117.98 117.60 1a4s s PHE 381 Ca 0.41 0.38 -0.05 0.00 0.12 0.00 0.00 56.93 57.79 1a4s s PHE 381 Cb 0.12 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1a4s s PHE 381 CO -0.02 0.66 0.15 0.00 -0.10 0.00 0.00 175.22 175.92 1a4s s MET 382 N -1.81 0.97 -0.02 0.44 0.23 -1.26 -1.93 119.30 115.91 1a4s s MET 382 Ca 0.26 -1.24 -0.20 0.00 -1.03 0.00 0.00 55.69 53.48 1a4s s MET 382 Cb -0.13 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 1a4s s MET 382 CO 0.17 -0.31 0.57 -1.54 -2.03 0.00 0.00 175.02 171.88 1a4s s SER 383 N -2.97 6.92 0.34 -1.18 1.04 -0.74 -4.82 113.70 112.28 1a4s s SER 383 Ca 0.17 1.10 -0.29 0.00 0.48 0.00 0.00 55.95 57.40 1a4s s SER 383 Cb 0.06 -2.35 -0.11 0.00 0.10 0.00 0.00 66.02 63.72 1a4s s SER 383 CO -0.02 0.09 1.56 -2.16 0.98 0.00 0.00 173.24 173.68 1a4s s PRO 384 N -0.08 4.10 -0.01 4.02 0.04 -1.26 -1.69 135.00 140.11 1a4s s PRO 384 Ca 0.30 2.60 0.06 0.00 0.04 0.00 0.00 61.00 64.00 1a4s s PRO 384 Cb -0.18 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1a4s s PRO 384 CO 0.16 -0.61 -0.21 0.00 0.04 0.00 0.00 177.00 176.39 1a4s s VAL 386 N -0.72 1.65 -0.03 0.00 1.01 -1.02 -0.84 120.40 120.45 1a4s s VAL 386 Ca 0.11 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1a4s s VAL 386 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1a4s s VAL 386 CO 0.01 0.47 -0.04 -0.76 0.00 0.00 0.00 175.10 174.77 1a4s s LEU 387 N 0.85 3.30 0.39 3.92 1.43 0.27 -0.70 118.68 128.14 1a4s s LEU 387 Ca -0.09 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1a4s s LEU 387 Cb -0.15 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1a4s s LEU 387 CO 0.00 0.32 0.05 -0.62 0.23 0.00 0.00 176.35 176.32 1a4s s ASP 388 N -1.21 3.13 -1.36 2.29 2.15 0.37 -1.84 116.67 120.19 1a4s s ASP 388 Ca 0.16 -1.45 -0.09 0.00 0.43 0.00 0.00 52.55 51.60 1a4s s ASP 388 Cb -0.11 -0.02 0.01 0.00 -0.30 0.00 0.00 42.92 42.50 1a4s s ASP 388 CO 0.06 -0.63 1.17 -3.20 -0.17 0.00 0.00 175.17 172.39 1a4s n ASN 389 N -0.93 -6.08 -4.95 -0.34 5.15 -1.26 -0.24 115.26 106.61 1a4s n ASN 389 Ca -0.06 -0.56 -0.23 0.00 -0.60 0.00 0.00 54.58 53.13 1a4s n ASN 389 Cb 0.67 -4.96 -0.01 0.00 -0.53 0.00 0.00 39.78 34.94 1a4s n ASN 389 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a4s s ARG 391 N -4.27 1.07 0.59 0.00 0.52 -1.26 -4.94 118.95 110.65 1a4s s ARG 391 Ca 0.39 -1.39 0.31 0.00 -0.52 0.00 0.00 55.73 54.52 1a4s s ARG 391 Cb -0.09 -0.75 1.86 0.00 0.52 0.00 0.00 34.95 36.48 1a4s s ARG 391 CO 0.35 0.11 2.25 -0.44 0.02 0.00 0.00 175.30 177.59 1a4s h ASP 392 N 3.00 0.00 0.17 0.23 3.32 -1.99 0.41 116.42 121.55 1a4s h ASP 392 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1a4s h ASP 392 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1a4s h ASP 392 CO 0.59 0.01 -0.22 -0.90 -1.72 0.00 0.00 179.24 177.00 1a4s n ASP 393 N -3.73 1.23 -4.77 6.45 5.75 -1.26 -4.58 116.55 115.64 1a4s n ASP 393 Ca -0.03 -1.07 -0.37 0.00 -0.01 0.00 0.00 54.79 53.31 1a4s n ASP 393 Cb 0.10 0.14 -0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1a4s n ASP 393 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1a4s s MET 394 N -2.40 3.65 0.32 0.11 -1.94 0.13 -4.94 119.30 114.23 1a4s s MET 394 Ca 0.26 1.76 0.02 0.00 -1.71 0.00 0.00 55.69 56.03 1a4s s MET 394 Cb 0.19 -2.32 0.60 0.00 2.01 0.00 0.00 34.83 35.31 1a4s s MET 394 CO 0.49 -0.64 1.91 1.15 -0.01 0.00 0.00 175.02 177.91 1a4s h THR 395 N 1.72 1.03 0.00 2.05 2.02 -1.91 -1.69 112.91 116.12 1a4s h THR 395 Ca -0.50 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1a4s h THR 395 Cb 1.25 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1a4s h THR 395 CO 0.59 0.17 -0.23 0.00 0.37 0.00 0.00 175.52 176.43 1a4s h VAL 397 N 0.00 0.56 0.05 0.00 2.07 -1.60 -3.39 116.25 113.94 1a4s h VAL 397 Ca -0.00 -1.87 -0.34 0.00 0.82 0.00 0.00 66.70 65.30 1a4s h VAL 397 Cb 0.85 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1a4s h VAL 397 CO 0.03 0.32 -2.01 0.29 0.02 0.00 0.00 177.57 176.22 1a4s n LYS 398 N -3.05 0.70 -3.88 1.57 5.02 -0.84 -4.96 118.16 112.71 1a4s n LYS 398 Ca -0.02 0.23 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 1a4s n LYS 398 Cb 0.72 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1a4s n LYS 398 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1a4s s GLU 399 N -2.56 3.46 -0.08 1.97 0.41 -0.40 -4.96 118.70 116.55 1a4s s GLU 399 Ca -0.17 -0.29 -0.30 0.00 -0.41 0.00 0.00 54.97 53.81 1a4s s GLU 399 Cb 0.07 -3.08 -0.04 0.00 -1.78 0.00 0.00 34.13 29.30 1a4s s GLU 399 CO 0.77 0.66 1.47 -2.00 -0.49 0.00 0.00 175.26 175.67 1a4s s GLU 400 N -1.97 4.22 -0.14 1.61 2.12 -1.26 -4.83 118.70 118.45 1a4s s GLU 400 Ca 0.28 1.96 -0.16 0.00 0.36 0.00 0.00 54.97 57.41 1a4s s GLU 400 Cb -0.13 -3.81 -0.25 0.00 0.26 0.00 0.00 34.13 30.20 1a4s s GLU 400 CO 0.19 -0.73 0.43 0.82 -0.54 0.00 0.00 175.26 175.43 1a4s h ILE 401 N 5.38 0.95 -4.10 -3.70 2.04 -1.91 -3.49 117.51 112.69 1a4s h ILE 401 Ca -0.35 -2.32 -0.25 0.00 1.00 0.00 0.00 64.86 62.94 1a4s h ILE 401 Cb 1.15 2.57 0.09 0.00 -0.74 0.00 0.00 36.82 39.89 1a4s h ILE 401 CO 0.95 0.63 -0.44 0.33 0.00 0.00 0.00 178.15 179.62 1a4s n PHE 402 N -4.01 -1.80 -4.10 1.37 7.35 -1.26 -4.78 117.46 110.23 1a4s n PHE 402 Ca -0.28 0.64 -0.15 0.00 -0.76 0.00 0.00 57.45 56.91 1a4s n PHE 402 Cb 0.85 -3.61 -0.04 0.00 0.35 0.00 0.00 39.48 37.03 1a4s n PHE 402 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1a4s s GLY 403 N -3.27 1.55 -1.30 7.13 0.00 -1.11 -4.34 107.32 105.97 1a4s s GLY 403 Ca 0.34 -1.56 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 1a4s s GLY 403 CO 0.46 -1.03 1.75 -1.55 0.00 0.00 0.00 173.10 172.73 1a4s n PRO 404 N -0.57 3.20 -3.59 2.90 -0.04 -1.13 -4.58 135.00 131.19 1a4s n PRO 404 Ca 0.01 -3.30 -0.29 0.00 -0.04 0.00 0.00 63.50 59.88 1a4s n PRO 404 Cb 0.62 -3.38 -0.15 0.00 -0.04 0.00 0.00 33.50 30.54 1a4s n PRO 404 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a4s s VAL 405 N 3.56 0.18 -0.18 0.52 1.01 -1.26 -0.72 120.40 123.52 1a4s s VAL 405 Ca 0.51 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 1a4s s VAL 405 Cb 0.04 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1a4s s VAL 405 CO 0.05 -0.72 0.74 -0.32 0.00 0.00 0.00 175.10 174.85 1a4s s MET 406 N 1.96 4.25 -0.23 2.72 1.75 -0.02 -4.95 119.30 124.79 1a4s s MET 406 Ca 0.09 0.83 -0.10 0.00 -1.25 0.00 0.00 55.69 55.27 1a4s s MET 406 Cb -0.16 -3.58 -0.05 0.00 2.84 0.00 0.00 34.83 33.88 1a4s s MET 406 CO -0.34 -0.30 0.13 -1.12 -0.65 0.00 0.00 175.02 172.75 1a4s s SER 407 N 1.18 5.91 -0.08 1.11 0.01 -0.86 -0.57 113.70 120.40 1a4s s SER 407 Ca 0.34 0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.70 1a4s s SER 407 Cb -0.16 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1a4s s SER 407 CO 0.11 0.07 -0.20 -0.69 0.41 0.00 0.00 173.24 172.94 1a4s s VAL 408 N 1.04 2.47 -0.02 3.43 1.01 -0.77 -0.17 120.40 127.39 1a4s s VAL 408 Ca 0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1a4s s VAL 408 Cb -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1a4s s VAL 408 CO 0.04 0.56 0.07 -0.76 0.00 0.00 0.00 175.10 175.01 1a4s s LEU 409 N -0.00 1.76 0.53 3.92 1.02 -0.34 -4.17 118.68 121.40 1a4s s LEU 409 Ca -0.07 0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.01 1a4s s LEU 409 Cb -0.15 0.28 -0.05 0.00 0.02 0.00 0.00 46.19 46.29 1a4s s LEU 409 CO 0.05 -0.10 0.93 -2.16 0.02 0.00 0.00 176.35 175.09 1a4s s PRO 410 N -0.29 3.70 0.08 1.29 0.04 -1.26 -0.13 135.00 138.43 1a4s s PRO 410 Ca -0.03 0.64 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 1a4s s PRO 410 Cb -0.02 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1a4s s PRO 410 CO 0.00 -0.33 0.13 -0.59 0.04 0.00 0.00 177.00 176.25 1a4s s PHE 411 N -2.82 0.24 -0.12 0.56 -0.12 -0.90 -4.76 117.98 110.06 1a4s s PHE 411 Ca 0.54 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 1a4s s PHE 411 Cb -0.10 -0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.07 1a4s s PHE 411 CO 0.43 -0.50 -0.11 -0.25 -0.05 0.00 0.00 175.22 174.74 1a4s n ASP 412 N -0.00 2.95 -4.38 1.98 8.00 -1.26 -1.49 116.55 122.35 1a4s n ASP 412 Ca -0.15 -0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.11 1a4s n ASP 412 Cb 0.62 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 1a4s n ASP 412 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a4s s THR 413 N -2.24 1.61 0.08 -3.53 -4.23 -1.26 -4.91 115.64 101.16 1a4s s THR 413 Ca -0.16 -2.15 -0.19 0.00 -1.18 0.00 0.00 61.69 58.01 1a4s s THR 413 Cb 0.04 -2.25 -0.09 0.00 1.34 0.00 0.00 72.50 71.54 1a4s s THR 413 CO 0.27 -0.44 1.49 -0.08 -0.54 0.00 0.00 174.62 175.32 1a4s h GLU 414 N 2.43 0.44 -0.62 3.99 4.81 -1.99 -0.04 114.58 123.60 1a4s h GLU 414 Ca -0.39 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1a4s h GLU 414 Cb 1.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1a4s h GLU 414 CO 0.65 0.65 0.31 1.49 -0.73 0.00 0.00 179.01 181.37 1a4s h GLU 415 N 0.19 0.88 0.60 1.92 4.81 -1.99 -0.38 114.58 120.62 1a4s h GLU 415 Ca 0.06 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1a4s h GLU 415 Cb 0.47 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1a4s h GLU 415 CO 0.02 0.70 -0.45 1.49 -0.73 0.00 0.00 179.01 180.04 1a4s h GLU 416 N 0.85 -0.98 -0.66 1.92 4.81 -1.86 -2.94 114.58 115.72 1a4s h GLU 416 Ca 0.21 0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1a4s h GLU 416 Cb 0.10 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1a4s h GLU 416 CO -0.03 -0.65 0.41 -0.39 -0.73 0.00 0.00 179.01 177.62 1a4s h VAL 417 N -1.01 1.08 -0.98 0.32 -1.51 -0.76 -1.88 116.25 111.50 1a4s h VAL 417 Ca -0.07 -0.28 0.16 0.00 -1.23 0.00 0.00 66.70 65.28 1a4s h VAL 417 Cb 0.85 0.21 -0.10 0.00 -2.13 0.00 0.00 31.29 30.12 1a4s h VAL 417 CO 0.03 0.15 0.60 -0.07 -1.23 0.00 0.00 177.57 177.04 1a4s h LEU 418 N 0.80 0.81 -0.39 4.19 3.38 -1.10 0.11 115.31 123.11 1a4s h LEU 418 Ca 0.27 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 58.13 1a4s h LEU 418 Cb 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1a4s h LEU 418 CO -0.11 0.35 -0.73 0.06 0.09 0.00 0.00 178.44 178.10 1a4s h GLN 419 N 0.84 0.42 0.00 1.13 -0.00 -1.16 -1.73 115.11 114.62 1a4s h GLN 419 Ca 0.53 -0.35 -0.20 0.00 -0.00 0.00 0.00 58.65 58.64 1a4s h GLN 419 Cb 0.71 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.25 1a4s h GLN 419 CO -0.34 0.99 -0.87 0.00 -0.00 0.00 0.00 178.83 178.61 1a4s h ARG 420 N 0.29 0.19 -0.40 0.06 3.08 -1.19 -2.44 114.38 113.97 1a4s h ARG 420 Ca -0.03 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1a4s h ARG 420 Cb 1.31 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 1a4s h ARG 420 CO 0.13 0.95 -0.08 0.00 -1.07 0.00 0.00 179.97 179.90 1a4s h ALA 421 N 0.98 1.12 -0.00 0.04 0.00 -0.63 -3.01 119.26 117.75 1a4s h ALA 421 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a4s h ALA 421 Cb 1.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1a4s h ALA 421 CO 0.13 0.55 -0.42 0.09 0.00 0.00 0.00 179.25 179.61 1a4s n ASN 422 N -4.19 0.80 -3.57 0.00 3.02 -0.66 -4.56 115.26 106.10 1a4s n ASN 422 Ca 0.01 -0.61 -0.41 0.00 -0.03 0.00 0.00 54.58 53.55 1a4s n ASN 422 Cb 0.33 0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1a4s n ASN 422 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1a4s n ASN 423 N -1.09 5.84 -3.72 6.41 4.05 -0.92 -4.81 115.26 121.02 1a4s n ASN 423 Ca 0.08 -2.74 -0.10 0.00 0.45 0.00 0.00 54.58 52.27 1a4s n ASN 423 Cb 0.34 -1.61 -0.04 0.00 1.23 0.00 0.00 39.78 39.70 1a4s n ASN 423 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1a4s s THR 424 N 2.70 0.03 -0.74 -0.44 -1.32 -1.26 -5.02 115.64 109.59 1a4s s THR 424 Ca 0.56 -0.75 0.23 0.00 -1.21 0.00 0.00 61.69 60.52 1a4s s THR 424 Cb 0.16 -1.53 -0.12 0.00 -1.51 0.00 0.00 72.50 69.50 1a4s s THR 424 CO -0.08 -0.14 1.06 1.07 -2.21 0.00 0.00 174.62 174.33 1a4s n THR 425 N -0.33 0.10 -1.51 5.08 5.66 -1.26 -4.84 114.28 117.18 1a4s n THR 425 Ca -0.11 -0.16 -0.30 0.00 -3.05 0.00 0.00 64.05 60.44 1a4s n THR 425 Cb 0.63 0.36 0.10 0.00 -1.55 0.00 0.00 70.33 69.87 1a4s n THR 425 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1a4s s PHE 426 N -3.13 2.74 -0.29 1.09 0.08 -1.26 -1.30 117.98 115.91 1a4s s PHE 426 Ca 0.06 1.13 0.05 0.00 0.12 0.00 0.00 56.93 58.29 1a4s s PHE 426 Cb 0.15 -3.15 0.19 0.00 -0.57 0.00 0.00 43.02 39.64 1a4s s PHE 426 CO 0.80 -1.90 1.12 0.41 -0.10 0.00 0.00 175.22 175.54 1a4s n GLY 427 N -2.00 0.21 0.03 4.36 0.00 -1.24 -4.76 105.19 101.79 1a4s n GLY 427 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a4s n GLY 427 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4s h LEU 428 N 1.14 -0.00 0.00 0.99 5.85 -1.80 -1.25 115.31 120.24 1a4s h LEU 428 Ca -0.38 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 1a4s h LEU 428 Cb 1.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1a4s h LEU 428 CO -0.14 0.28 -0.11 0.00 -0.34 0.00 0.00 178.44 178.14 1a4s n ALA 429 N -2.44 0.14 -3.78 1.25 0.00 -1.26 -2.43 120.51 111.99 1a4s n ALA 429 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1a4s n ALA 429 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1a4s n ALA 429 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a4s s SER 430 N -1.56 -0.03 0.14 0.00 1.04 -0.73 -4.12 113.70 108.45 1a4s s SER 430 Ca 0.06 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 1a4s s SER 430 Cb 0.00 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1a4s s SER 430 CO 0.05 -0.32 0.36 -0.83 0.98 0.00 0.00 173.24 173.48 1a4s s GLY 431 N -3.35 0.02 -0.12 7.32 0.00 -0.27 -2.05 107.32 108.86 1a4s s GLY 431 Ca 0.21 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.47 1a4s s GLY 431 CO -0.02 -0.52 0.29 0.54 0.00 0.00 0.00 173.10 173.39 1a4s s VAL 432 N -3.87 -0.04 -0.25 1.40 0.11 -0.35 -0.40 120.40 117.01 1a4s s VAL 432 Ca 0.08 0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 59.22 1a4s s VAL 432 Cb 0.02 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1a4s s VAL 432 CO -0.07 0.05 -0.01 -0.36 -3.33 0.00 0.00 175.10 171.39 1a4s s PHE 433 N 1.30 3.04 -0.07 1.54 0.40 0.17 -1.15 117.98 123.20 1a4s s PHE 433 Ca -0.09 -1.04 -0.29 0.00 -0.60 0.00 0.00 56.93 54.90 1a4s s PHE 433 Cb -0.10 -2.14 0.11 0.00 0.51 0.00 0.00 43.02 41.40 1a4s s PHE 433 CO -0.10 -0.58 0.89 -0.08 0.70 0.00 0.00 175.22 176.06 1a4s s THR 434 N 1.46 0.00 -0.13 0.64 -1.32 -1.26 -1.24 115.64 113.79 1a4s s THR 434 Ca 0.04 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.71 1a4s s THR 434 Cb -0.16 -1.00 -0.27 0.00 -1.51 0.00 0.00 72.50 69.57 1a4s s THR 434 CO -0.02 0.00 0.31 0.54 -2.21 0.00 0.00 174.62 173.24 1a4s n ARG 435 N 0.34 0.67 -1.72 7.08 5.12 -1.25 -4.88 116.66 122.03 1a4s n ARG 435 Ca -0.11 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.34 1a4s n ARG 435 Cb 0.59 -1.56 -0.03 0.00 -1.16 0.00 0.00 32.46 30.31 1a4s n ARG 435 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1a4s s ASP 436 N -5.19 6.45 0.19 0.55 2.15 -1.26 -4.95 116.67 114.62 1a4s s ASP 436 Ca -0.08 2.69 -0.12 0.00 0.43 0.00 0.00 52.55 55.47 1a4s s ASP 436 Cb 0.09 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 1a4s s ASP 436 CO 0.86 -1.02 1.79 -0.29 -0.17 0.00 0.00 175.17 176.33 1a4s h ILE 437 N 5.13 0.94 -0.36 4.11 2.10 -2.00 -1.81 117.51 125.61 1a4s h ILE 437 Ca -0.47 -0.18 -0.08 0.00 1.08 0.00 0.00 64.86 65.21 1a4s h ILE 437 Cb 1.22 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1a4s h ILE 437 CO 0.94 0.10 -0.08 0.28 -1.08 0.00 0.00 178.15 178.31 1a4s h SER 438 N 0.53 0.69 -0.61 2.19 0.02 -2.00 -2.87 113.55 111.50 1a4s h SER 438 Ca 0.25 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1a4s h SER 438 Cb 0.17 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1a4s h SER 438 CO -0.18 0.89 0.39 -0.09 -1.14 0.00 0.00 176.83 176.70 1a4s h ARG 439 N 0.49 0.81 0.44 3.45 2.43 -1.90 -0.20 114.38 119.90 1a4s h ARG 439 Ca 0.09 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1a4s h ARG 439 Cb 0.58 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1a4s h ARG 439 CO 0.03 0.56 -0.36 0.00 -1.51 0.00 0.00 179.97 178.69 1a4s h ALA 440 N 1.20 -0.83 -0.13 2.80 0.00 -1.21 -0.66 119.26 120.43 1a4s h ALA 440 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1a4s h ALA 440 Cb -0.06 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a4s h ALA 440 CO -0.04 -1.00 -0.32 0.45 0.00 0.00 0.00 179.25 178.34 1a4s h HIS 441 N -0.80 0.28 -0.08 0.00 3.86 -1.42 -2.35 115.15 114.65 1a4s h HIS 441 Ca -0.04 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 1a4s h HIS 441 Cb 0.69 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1a4s h HIS 441 CO -0.17 0.55 -0.11 -0.09 0.86 0.00 0.00 177.93 178.97 1a4s h ARG 442 N 0.22 0.21 -0.85 2.45 2.43 -0.90 -1.02 114.38 116.92 1a4s h ARG 442 Ca 0.03 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1a4s h ARG 442 Cb 0.68 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1a4s h ARG 442 CO 0.05 0.69 0.45 0.28 -1.51 0.00 0.00 179.97 179.93 1a4s h VAL 443 N -0.25 1.25 -0.84 0.20 2.07 -1.12 -1.43 116.25 116.14 1a4s h VAL 443 Ca 0.01 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1a4s h VAL 443 Cb 0.66 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1a4s h VAL 443 CO 0.03 0.29 0.40 0.00 0.02 0.00 0.00 177.57 178.30 1a4s h ALA 444 N 1.24 1.09 -0.45 1.67 0.00 -1.40 -1.80 119.26 119.62 1a4s h ALA 444 Ca 0.30 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1a4s h ALA 444 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1a4s h ALA 444 CO -0.04 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.78 1a4s h ALA 445 N 1.21 1.01 -0.00 0.00 0.00 -0.78 -3.24 119.26 117.47 1a4s h ALA 445 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a4s h ALA 445 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1a4s h ALA 445 CO -0.03 0.60 -0.33 0.09 0.00 0.00 0.00 179.25 179.57 1a4s n ASN 446 N -4.17 0.45 -4.72 0.00 3.02 -0.57 -4.84 115.26 104.42 1a4s n ASN 446 Ca 0.02 -0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1a4s n ASN 446 Cb 0.35 0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1a4s n ASN 446 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a4s s LEU 447 N -2.89 4.47 -1.18 3.41 1.02 -0.74 -4.97 118.68 117.79 1a4s s LEU 447 Ca 0.15 1.77 -0.11 0.00 0.02 0.00 0.00 54.13 55.96 1a4s s LEU 447 Cb 0.18 -3.58 0.21 0.00 0.02 0.00 0.00 46.19 43.02 1a4s s LEU 447 CO 0.62 -0.12 1.37 -0.62 0.02 0.00 0.00 176.35 177.62 1a4s n GLU 448 N 3.06 3.50 -3.56 1.70 1.02 -1.26 -4.96 120.64 120.15 1a4s n GLU 448 Ca 0.03 -4.06 -0.11 0.00 -0.02 0.00 0.00 57.16 53.00 1a4s n GLU 448 Cb 0.49 -2.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.03 1a4s n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a4s s ALA 449 N 0.31 -1.16 0.36 0.62 0.00 -1.26 -4.61 121.76 116.02 1a4s s ALA 449 Ca 0.38 0.14 0.20 0.00 0.00 0.00 0.00 51.96 52.68 1a4s s ALA 449 Cb -0.04 0.75 1.04 0.00 0.00 0.00 0.00 23.12 24.87 1a4s s ALA 449 CO -0.02 -0.68 1.93 0.78 0.00 0.00 0.00 175.76 177.77 1a4s h GLY 450 N 2.25 0.00 -5.25 0.00 0.00 -1.09 -3.44 103.07 95.54 1a4s h GLY 450 Ca -0.34 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.60 1a4s h GLY 450 CO 0.44 0.00 -0.78 -1.59 0.00 0.00 0.00 176.54 174.61 1a4s s THR 451 N -4.16 0.68 -0.07 4.70 2.01 -1.09 -4.79 115.64 112.92 1a4s s THR 451 Ca -0.02 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1a4s s THR 451 Cb 0.13 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1a4s s THR 451 CO 0.66 0.19 -0.11 0.00 -0.69 0.00 0.00 174.62 174.68 1a4s s TYR 453 N 0.80 3.58 -0.32 0.00 2.02 -0.87 -4.98 117.35 117.58 1a4s s TYR 453 Ca -0.12 0.84 -0.08 0.00 -0.37 0.00 0.00 57.07 57.34 1a4s s TYR 453 Cb -0.15 -2.39 0.01 0.00 -0.40 0.00 0.00 41.96 39.03 1a4s s TYR 453 CO 0.02 0.37 0.13 0.42 -1.57 0.00 0.00 175.55 174.92 1a4s s ILE 454 N -0.05 4.22 -1.07 2.71 1.01 -1.26 -1.22 121.20 125.54 1a4s s ILE 454 Ca 0.22 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1a4s s ILE 454 Cb -0.15 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1a4s s ILE 454 CO 0.10 -0.03 0.17 0.59 0.00 0.00 0.00 174.94 175.77 1a4s n ASN 455 N 4.91 -4.27 -2.18 3.58 5.03 -0.30 -4.93 115.26 117.10 1a4s n ASN 455 Ca -0.13 -0.09 -0.01 0.00 0.87 0.00 0.00 54.58 55.22 1a4s n ASN 455 Cb 0.47 -3.31 0.01 0.00 -1.02 0.00 0.00 39.78 35.93 1a4s n ASN 455 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1a4s n THR 456 N -4.03 0.00 -3.53 3.41 5.66 -1.26 -5.01 114.28 109.52 1a4s n THR 456 Ca -0.12 -0.25 -0.18 0.00 -3.05 0.00 0.00 64.05 60.46 1a4s n THR 456 Cb 0.60 0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.69 1a4s n THR 456 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1a4s s TYR 457 N -3.84 -0.67 -1.21 1.09 6.14 -1.26 -4.76 117.35 112.84 1a4s s TYR 457 Ca 0.12 1.22 0.00 0.00 0.64 0.00 0.00 57.07 59.05 1a4s s TYR 457 Cb -0.01 0.39 0.00 0.00 0.42 0.00 0.00 41.96 42.76 1a4s s TYR 457 CO 0.02 -0.58 0.00 0.43 0.64 0.00 0.00 175.55 176.06 1a4s n SER 458 N 1.12 -4.29 -4.78 4.32 7.64 -1.26 -4.84 113.62 111.52 1a4s n SER 458 Ca -0.18 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 1a4s n SER 458 Cb 0.57 -2.99 -0.04 0.00 -1.01 0.00 0.00 64.21 60.74 1a4s n SER 458 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1a4s s ILE 459 N -2.47 3.63 -0.45 0.44 -1.09 -1.26 -5.02 121.20 114.98 1a4s s ILE 459 Ca 0.00 1.27 0.07 0.00 -2.23 0.00 0.00 60.65 59.76 1a4s s ILE 459 Cb 0.00 -3.66 0.23 0.00 -1.58 0.00 0.00 42.46 37.45 1a4s s ILE 459 CO 0.00 0.02 0.53 -1.20 -1.23 0.00 0.00 174.94 173.06 1a4s n SER 460 N -0.05 0.83 -4.76 3.58 7.64 -1.26 -5.11 113.62 114.48 1a4s n SER 460 Ca 0.05 -2.80 -0.41 0.00 1.01 0.00 0.00 58.87 56.73 1a4s n SER 460 Cb 0.49 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1a4s n SER 460 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1a4s s PRO 461 N -1.23 4.43 0.45 1.43 0.05 -1.26 -4.92 135.00 133.95 1a4s s PRO 461 Ca 0.35 2.09 0.24 0.00 0.05 0.00 0.00 61.00 63.74 1a4s s PRO 461 Cb 0.14 -3.12 0.99 0.00 0.05 0.00 0.00 34.50 32.56 1a4s s PRO 461 CO -0.11 -0.10 1.86 -0.39 0.05 0.00 0.00 177.00 178.31 1a4s h VAL 462 N 3.17 0.56 0.00 -0.36 -1.51 -1.98 -3.25 116.25 112.88 1a4s h VAL 462 Ca -0.48 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 1a4s h VAL 462 Cb 1.22 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 1a4s h VAL 462 CO 0.68 0.21 0.00 -0.33 -1.23 0.00 0.00 177.57 176.90 1a4s h GLU 463 N 0.00 0.00 -5.85 5.19 3.07 -1.95 -0.69 114.58 114.35 1a4s h GLU 463 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1a4s h GLU 463 Cb 0.69 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.40 1a4s h GLU 463 CO 0.03 0.00 -0.80 0.14 -1.40 0.00 0.00 179.01 176.98 1a4s s VAL 464 N -3.54 1.54 0.71 3.13 -7.23 -1.23 -4.35 120.40 109.45 1a4s s VAL 464 Ca 0.00 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 1a4s s VAL 464 Cb 0.09 -1.49 0.03 0.00 0.56 0.00 0.00 36.38 35.56 1a4s s VAL 464 CO 0.34 -0.18 1.11 -2.84 -0.31 0.00 0.00 175.10 173.22 1a4s s PRO 465 N -2.11 2.49 -0.04 4.82 0.02 -1.25 -2.88 135.00 136.05 1a4s s PRO 465 Ca 0.06 1.35 -0.02 0.00 0.02 0.00 0.00 61.00 62.42 1a4s s PRO 465 Cb -0.09 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.55 1a4s s PRO 465 CO 0.04 -1.49 0.08 0.12 -0.33 0.00 0.00 177.00 175.42 1a4s s PHE 466 N -2.52 -0.07 0.00 6.54 5.36 -0.03 -4.95 117.98 122.32 1a4s s PHE 466 Ca 0.66 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.90 1a4s s PHE 466 Cb -0.20 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.36 1a4s s PHE 466 CO 0.47 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.54 1a4s n GLY 467 N 3.94 -0.64 3.93 13.12 0.00 -1.26 -1.66 105.19 122.62 1a4s n GLY 467 Ca -0.24 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1a4s n GLY 467 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a4s s GLY 468 N 0.00 1.59 0.31 -0.02 0.00 -1.26 -4.05 107.32 103.89 1a4s s GLY 468 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 44.72 43.98 1a4s s GLY 468 CO 0.00 -0.59 0.08 -0.19 0.00 0.00 0.00 173.10 172.40 1a4s s TYR 469 N -2.82 2.71 0.00 1.90 1.51 -0.51 -4.48 117.35 115.66 1a4s s TYR 469 Ca 0.52 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1a4s s TYR 469 Cb -0.10 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1a4s s TYR 469 CO 0.42 0.47 0.00 1.63 -1.11 0.00 0.00 175.55 176.97 1a4s n LYS 470 N -1.04 0.00 -0.02 -0.62 5.02 -1.26 -0.99 118.16 119.25 1a4s n LYS 470 Ca -0.05 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.30 1a4s n LYS 470 Cb 0.60 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.91 1a4s n LYS 470 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1a4s n MET 471 N 14.00 1.13 -0.05 1.97 2.81 -0.42 -3.08 117.12 133.48 1a4s n MET 471 Ca 0.00 -0.20 0.11 0.00 -1.81 0.00 0.00 57.70 55.80 1a4s n MET 471 Cb 0.00 -1.19 0.46 0.00 -0.71 0.00 0.00 33.22 31.78 1a4s n MET 471 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1a4s n SER 472 N -0.48 1.28 0.00 7.83 7.64 -0.16 -4.79 113.62 124.95 1a4s n SER 472 Ca 0.09 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1a4s n SER 472 Cb 0.08 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1a4s n SER 472 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4s n GLY 473 N 1.08 -1.16 3.36 0.23 0.00 -1.18 -0.20 105.19 107.33 1a4s n GLY 473 Ca 0.17 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 1a4s n GLY 473 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a4s s PHE 474 N -0.84 0.96 0.00 1.61 -0.12 -0.48 -3.87 117.98 115.24 1a4s s PHE 474 Ca 0.00 -1.19 0.00 0.00 -0.05 0.00 0.00 56.93 55.69 1a4s s PHE 474 Cb 0.00 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 1a4s s PHE 474 CO 0.00 -0.82 0.00 0.41 -0.05 0.00 0.00 175.22 174.76 1a4s n GLY 475 N -0.37 -1.17 3.19 1.99 0.00 -1.26 -1.32 105.19 106.25 1a4s n GLY 475 Ca 0.01 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1a4s n GLY 475 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a4s s ARG 476 N -2.38 0.93 0.05 1.61 1.81 -1.26 -4.34 118.95 115.36 1a4s s ARG 476 Ca 0.00 -1.41 0.04 0.00 -1.72 0.00 0.00 55.73 52.64 1a4s s ARG 476 Cb 0.00 -0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.34 1a4s s ARG 476 CO 0.00 -0.10 -0.13 -1.21 -0.68 0.00 0.00 175.30 173.19 1a4s s GLU 477 N -3.90 0.81 0.25 3.54 8.01 -0.67 -4.60 118.70 122.15 1a4s s GLU 477 Ca 0.17 -0.79 0.00 0.00 0.01 0.00 0.00 54.97 54.37 1a4s s GLU 477 Cb 0.06 -0.78 0.00 0.00 -4.31 0.00 0.00 34.13 29.10 1a4s s GLU 477 CO -0.01 0.18 0.00 0.09 0.01 0.00 0.00 175.26 175.53 1a4s n ASN 478 N 1.70 -3.47 -0.56 -0.19 3.02 -1.26 -0.85 115.26 113.65 1a4s n ASN 478 Ca -0.19 0.58 0.03 0.00 -0.03 0.00 0.00 54.58 54.97 1a4s n ASN 478 Cb 0.55 -2.11 -0.01 0.00 -0.61 0.00 0.00 39.78 37.60 1a4s n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a4s n GLY 479 N -3.08 -1.70 0.11 7.41 0.00 -0.27 -3.91 105.19 103.75 1a4s n GLY 479 Ca -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.74 1a4s n GLY 479 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a4s h GLN 480 N 0.00 0.00 -0.59 1.61 4.20 -1.89 -3.32 115.11 115.12 1a4s h GLN 480 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1a4s h GLN 480 Cb 0.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1a4s h GLN 480 CO 0.00 0.43 0.25 0.00 -0.67 0.00 0.00 178.83 178.85 1a4s h ALA 481 N 1.44 1.34 -0.38 3.87 0.00 -1.97 -2.46 119.26 121.10 1a4s h ALA 481 Ca -0.08 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1a4s h ALA 481 Cb 1.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1a4s h ALA 481 CO 0.06 0.50 0.36 1.15 0.00 0.00 0.00 179.25 181.32 1a4s h THR 482 N 0.84 0.51 0.00 0.00 2.02 -1.70 -1.89 112.91 112.70 1a4s h THR 482 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1a4s h THR 482 Cb 0.14 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1a4s h THR 482 CO -0.02 0.00 -0.12 -0.37 0.37 0.00 0.00 175.52 175.38 1a4s h VAL 483 N 0.00 0.86 0.00 3.16 -1.51 -1.68 -1.90 116.25 115.18 1a4s h VAL 483 Ca 0.18 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1a4s h VAL 483 Cb 0.89 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1a4s h VAL 483 CO -0.00 0.11 0.00 0.44 -1.23 0.00 0.00 177.57 176.89 1a4s h ASP 484 N 0.00 0.00 0.01 4.19 3.32 -1.55 -2.31 116.42 120.07 1a4s h ASP 484 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a4s h ASP 484 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1a4s h ASP 484 CO 0.02 0.00 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.28 1a4s n TYR 485 N -2.52 0.00 -0.38 4.55 4.01 -0.72 -4.12 117.16 117.99 1a4s n TYR 485 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1a4s n TYR 485 Cb 0.33 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1a4s n TYR 485 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1a4s n TYR 486 N 0.27 0.00 -4.13 -0.72 4.01 -0.92 -5.04 117.16 110.63 1a4s n TYR 486 Ca 0.17 -0.25 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1a4s n TYR 486 Cb 0.39 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 1a4s n TYR 486 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1a4s s SER 487 N -0.50 0.14 -0.01 7.72 1.04 -0.92 -4.02 113.70 117.17 1a4s s SER 487 Ca 0.00 -1.21 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 1a4s s SER 487 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1a4s s SER 487 CO 0.00 -0.86 0.14 0.00 0.98 0.00 0.00 173.24 173.51 1a4s s GLN 488 N -4.09 0.45 -0.01 4.02 -2.07 0.02 -4.75 119.66 113.24 1a4s s GLN 488 Ca 0.30 -0.32 -0.16 0.00 -1.82 0.00 0.00 55.36 53.36 1a4s s GLN 488 Cb 0.06 0.19 -0.06 0.00 -1.09 0.00 0.00 33.01 32.11 1a4s s GLN 488 CO 0.07 -0.10 0.46 -0.51 -1.32 0.00 0.00 175.29 173.89 1a4s s LEU 489 N -1.20 4.45 -0.15 2.60 1.43 -1.26 -0.76 118.68 123.79 1a4s s LEU 489 Ca -0.13 1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1a4s s LEU 489 Cb -0.07 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1a4s s LEU 489 CO 0.01 0.25 -0.11 -0.75 0.23 0.00 0.00 176.35 175.99 1a4s s LYS 490 N -0.73 3.40 -0.23 1.70 2.20 -0.63 -4.93 119.74 120.52 1a4s s LYS 490 Ca 0.25 -0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 55.03 1a4s s LYS 490 Cb -0.17 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1a4s s LYS 490 CO 0.14 0.12 0.45 0.99 -0.36 0.00 0.00 175.35 176.70 1a4s s THR 491 N 0.60 5.14 -0.22 3.43 2.01 -1.26 -0.85 115.64 124.48 1a4s s THR 491 Ca -0.06 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 1a4s s THR 491 Cb -0.15 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.60 1a4s s THR 491 CO 0.03 0.18 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.34 1a4s s VAL 492 N 1.76 2.60 -0.26 3.82 1.01 0.40 -4.99 120.40 124.74 1a4s s VAL 492 Ca 0.20 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1a4s s VAL 492 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1a4s s VAL 492 CO 0.09 0.31 0.12 -0.63 0.00 0.00 0.00 175.10 174.99 1a4s s ILE 493 N 1.31 4.76 -0.23 2.22 1.01 -1.26 -0.95 121.20 128.06 1a4s s ILE 493 Ca 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 1a4s s ILE 493 Cb -0.16 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1a4s s ILE 493 CO -0.07 0.30 -0.02 0.54 0.00 0.00 0.00 174.94 175.70 1a4s s VAL 494 N 1.63 3.57 -0.18 2.92 0.11 0.51 -5.01 120.40 123.95 1a4s s VAL 494 Ca 0.07 -0.43 -0.24 0.00 -2.93 0.00 0.00 61.98 58.44 1a4s s VAL 494 Cb -0.15 -2.64 -0.02 0.00 -1.53 0.00 0.00 36.38 32.04 1a4s s VAL 494 CO 0.07 0.40 0.79 -0.70 -3.33 0.00 0.00 175.10 172.33 1a4s s GLU 495 N 1.51 4.27 0.02 1.54 2.56 -1.26 -2.19 118.70 125.14 1a4s s GLU 495 Ca 0.06 0.93 0.24 0.00 0.00 0.00 0.00 54.97 56.20 1a4s s GLU 495 Cb -0.14 -3.58 0.25 0.00 2.00 0.00 0.00 34.13 32.65 1a4s s GLU 495 CO -0.02 -0.34 1.23 -1.33 -0.56 0.00 0.00 175.26 174.24 1a4s n MET 496 N 5.30 0.07 0.00 4.30 2.81 -1.26 -4.94 117.12 123.41 1a4s n MET 496 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1a4s n MET 496 Cb 0.49 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1a4s n MET 496 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a4s n GLY 497 N 1.46 3.36 3.95 3.03 0.00 -1.26 -5.08 105.19 110.66 1a4s n GLY 497 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1a4s n GLY 497 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a4s s ASP 498 N 1.00 6.11 0.16 1.61 1.01 -1.26 -5.07 116.67 120.23 1a4s s ASP 498 Ca 0.00 0.33 -0.29 0.00 0.71 0.00 0.00 52.55 53.30 1a4s s ASP 498 Cb 0.00 -1.79 -0.07 0.00 1.01 0.00 0.00 42.92 42.07 1a4s s ASP 498 CO 0.00 -0.43 0.93 -0.69 0.21 0.00 0.00 175.17 175.18 1a4s s VAL 499 N -2.37 4.35 -0.40 -1.27 1.01 -1.26 -5.01 120.40 115.44 1a4s s VAL 499 Ca 0.43 2.03 -0.28 0.00 0.00 0.00 0.00 61.98 64.15 1a4s s VAL 499 Cb -0.10 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1a4s s VAL 499 CO 0.36 0.40 1.06 -1.81 0.00 0.00 0.00 175.10 175.11 1a4s s ASP 500 N -0.52 6.74 -0.01 3.32 1.01 -1.26 -5.02 116.67 120.93 1a4s s ASP 500 Ca 0.43 0.67 0.05 0.00 0.71 0.00 0.00 52.55 54.42 1a4s s ASP 500 Cb -0.24 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 1a4s s ASP 500 CO 0.30 -1.03 -0.18 -0.55 0.21 0.00 0.00 175.17 173.93 1a4s s SER 501 N 2.04 2.06 0.00 0.27 0.15 -1.26 -5.00 113.70 111.96 1a4s s SER 501 Ca 0.44 -0.34 0.27 0.00 0.70 0.00 0.00 55.95 57.03 1a4s s SER 501 Cb -0.10 -0.22 0.93 0.00 -1.71 0.00 0.00 66.02 64.92 1a4s s SER 501 CO 0.23 0.20 1.68 0.18 1.20 0.00 0.00 173.24 176.73 1a4s n LEU 502 N 2.56 0.74 0.00 3.45 4.77 -1.26 -5.34 117.00 121.92 1a4s n LEU 502 Ca -0.15 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1a4s n LEU 502 Cb 0.54 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1a4s n LEU 502 CO 0.24 0.14 0.17 0.49 -1.33 0.00 0.00 177.39 177.10