#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8s h LYS 2 N 0.00 -0.03 -5.68 3.17 3.64 -1.96 -3.42 116.57 112.29 3i8s h LYS 2 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 3i8s h LYS 2 Cb 0.00 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 3i8s h LYS 2 CO 0.00 0.12 0.00 0.15 -2.27 0.00 0.00 179.45 177.45 3i8s s LYS 3 N -5.63 4.26 0.04 1.90 1.02 -1.26 -1.75 119.74 118.32 3i8s s LYS 3 Ca -0.14 0.54 0.09 0.00 0.02 0.00 0.00 55.97 56.47 3i8s s LYS 3 Cb 0.05 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3i8s s LYS 3 CO 0.66 -0.08 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.25 3i8s s LEU 4 N 1.39 2.17 -0.19 3.17 1.43 -0.72 -4.96 118.68 120.96 3i8s s LEU 4 Ca 0.27 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3i8s s LEU 4 Cb -0.16 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3i8s s LEU 4 CO 0.11 0.23 0.02 -0.89 0.23 0.00 0.00 176.35 176.05 3i8s s THR 5 N -0.80 4.19 -0.10 5.49 2.01 -1.26 -0.83 115.64 124.34 3i8s s THR 5 Ca 0.11 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3i8s s THR 5 Cb -0.10 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.54 3i8s s THR 5 CO 0.02 0.43 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.61 3i8s s ILE 6 N 0.81 1.43 -0.01 1.82 1.01 -0.11 0.42 121.20 126.57 3i8s s ILE 6 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 3i8s s ILE 6 Cb -0.14 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3i8s s ILE 6 CO 0.02 0.43 0.73 -0.83 0.00 0.00 0.00 174.94 175.29 3i8s s GLY 7 N 0.93 2.71 -0.27 6.18 0.00 -0.78 -0.65 107.32 115.43 3i8s s GLY 7 Ca -0.08 0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 3i8s s GLY 7 CO -0.00 1.12 0.13 -2.27 0.00 0.00 0.00 173.10 172.07 3i8s s LEU 8 N 0.32 3.78 -0.02 0.66 2.96 -0.03 -0.75 118.68 125.60 3i8s s LEU 8 Ca 0.38 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3i8s s LEU 8 Cb -0.19 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.51 3i8s s LEU 8 CO 0.21 -0.08 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.60 3i8s s ILE 9 N 1.65 0.40 0.12 6.68 2.07 -0.43 -1.44 121.20 130.26 3i8s s ILE 9 Ca 0.06 -0.16 -0.26 0.00 -1.41 0.00 0.00 60.65 58.89 3i8s s ILE 9 Cb -0.16 -0.38 0.08 0.00 0.13 0.00 0.00 42.46 42.12 3i8s s ILE 9 CO 0.06 0.14 1.03 -0.83 -1.91 0.00 0.00 174.94 173.44 3i8s s GLY 10 N 0.26 -0.25 0.86 1.50 0.00 -1.26 -0.98 107.32 107.45 3i8s s GLY 10 Ca -0.03 0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 3i8s s GLY 10 CO -0.00 0.16 1.16 -1.31 0.00 0.00 0.00 173.10 173.11 3i8s s ASN 11 N -2.98 3.35 0.58 1.64 -0.87 -1.20 -1.56 114.94 113.90 3i8s s ASN 11 Ca 0.13 2.20 0.34 0.00 -1.57 0.00 0.00 52.86 53.97 3i8s s ASN 11 Cb -0.00 -2.57 1.75 0.00 -0.02 0.00 0.00 41.25 40.41 3i8s s ASN 11 CO 0.01 -2.82 2.15 -0.65 -2.57 0.00 0.00 177.10 173.23 3i8s h PRO 12 N -1.44 0.00 -1.51 -0.60 0.11 -1.79 -3.01 132.00 123.75 3i8s h PRO 12 Ca -0.44 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.04 3i8s h PRO 12 Cb 1.27 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 32.00 3i8s h PRO 12 CO 0.44 0.05 -0.30 0.09 -0.21 0.00 0.00 178.00 178.07 3i8s n ASN 13 N -3.34 5.45 -0.43 -2.05 3.02 -1.26 -4.67 115.26 111.98 3i8s n ASN 13 Ca -0.02 -3.75 0.06 0.00 -0.03 0.00 0.00 54.58 50.85 3i8s n ASN 13 Cb 0.20 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.80 3i8s n ASN 13 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3i8s n SER 14 N -0.54 1.81 -0.10 6.41 3.41 -1.14 -4.96 113.62 118.51 3i8s n SER 14 Ca 0.44 -1.40 -0.01 0.00 -0.26 0.00 0.00 58.87 57.63 3i8s n SER 14 Cb 0.60 0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.75 3i8s n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8s n GLY 15 N 0.86 0.49 0.11 5.00 0.00 -1.26 -4.67 105.19 105.72 3i8s n GLY 15 Ca 0.07 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 3i8s n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i8s h LYS 16 N 0.14 0.27 -0.76 1.61 3.64 -1.90 -1.57 116.57 118.00 3i8s h LYS 16 Ca -0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3i8s h LYS 16 Cb 0.10 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3i8s h LYS 16 CO 0.04 0.30 0.36 0.00 -2.27 0.00 0.00 179.45 177.88 3i8s h THR 17 N 0.17 1.24 -0.28 1.00 1.03 -1.95 0.11 112.91 114.23 3i8s h THR 17 Ca 0.06 -0.69 0.03 0.00 -0.01 0.00 0.00 66.41 65.81 3i8s h THR 17 Cb 0.12 0.29 -0.03 0.00 -1.07 0.00 0.00 68.15 67.46 3i8s h THR 17 CO -0.01 0.29 0.08 0.74 -0.01 0.00 0.00 175.52 176.61 3i8s h THR 18 N 1.07 0.90 -0.42 0.00 2.02 -1.96 -1.31 112.91 113.20 3i8s h THR 18 Ca 0.26 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3i8s h THR 18 Cb 0.12 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3i8s h THR 18 CO -0.03 0.04 0.27 0.25 0.37 0.00 0.00 175.52 176.41 3i8s h LEU 19 N 0.19 0.45 -0.31 2.58 5.85 -0.74 -0.53 115.31 122.80 3i8s h LEU 19 Ca 0.13 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3i8s h LEU 19 Cb 0.11 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3i8s h LEU 19 CO -0.15 0.33 -0.12 0.15 -0.34 0.00 0.00 178.44 178.30 3i8s h PHE 20 N 0.55 -0.29 -0.75 1.25 3.57 -0.44 -1.12 116.94 119.70 3i8s h PHE 20 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3i8s h PHE 20 Cb -0.04 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3i8s h PHE 20 CO -0.06 -0.19 0.43 -0.91 -2.23 0.00 0.00 178.31 175.35 3i8s h ASN 21 N -0.07 0.92 -0.57 0.41 2.35 -0.93 -1.84 115.58 115.86 3i8s h ASN 21 Ca 0.16 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3i8s h ASN 21 Cb 0.31 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3i8s h ASN 21 CO -0.36 0.74 0.04 1.56 -1.65 0.00 0.00 177.43 177.76 3i8s h GLN 22 N 1.03 0.98 -0.28 0.81 4.20 -0.74 0.46 115.11 121.58 3i8s h GLN 22 Ca 0.27 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 3i8s h GLN 22 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3i8s h GLN 22 CO -0.05 0.96 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.64 3i8s h LEU 23 N 0.87 0.65 0.00 1.46 3.38 -0.96 -3.33 115.31 117.38 3i8s h LEU 23 Ca 0.17 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3i8s h LEU 23 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i8s h LEU 23 CO 0.02 0.95 -1.94 0.35 0.09 0.00 0.00 178.44 177.92 3i8s n THR 24 N -4.05 0.16 0.00 0.22 -2.24 -0.71 -4.61 114.28 103.05 3i8s n THR 24 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3i8s n THR 24 Cb 0.50 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3i8s n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8s n GLY 25 N 1.46 3.27 0.86 3.38 0.00 0.15 -0.72 105.19 113.58 3i8s n GLY 25 Ca -0.07 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3i8s n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8s n SER 26 N 3.74 2.53 -3.65 1.61 3.41 -1.26 -4.39 113.62 115.62 3i8s n SER 26 Ca 0.00 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 3i8s n SER 26 Cb 0.00 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3i8s n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i8s n ARG 27 N 0.88 3.83 -3.95 4.33 1.74 0.10 -4.90 116.66 118.70 3i8s n ARG 27 Ca 0.17 -3.19 -0.08 0.00 -0.77 0.00 0.00 57.85 53.98 3i8s n ARG 27 Cb 0.44 -2.87 -0.08 0.00 -1.02 0.00 0.00 32.46 28.93 3i8s n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3i8s s GLN 28 N 0.55 0.73 0.03 5.56 -2.07 -1.26 -0.65 119.66 122.55 3i8s s GLN 28 Ca 0.49 -1.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.01 3i8s s GLN 28 Cb 0.14 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 3i8s s GLN 28 CO -0.05 -0.20 -0.06 0.50 -1.32 0.00 0.00 175.29 174.16 3i8s s ARG 29 N -3.79 0.46 -0.16 9.60 3.00 0.26 -4.98 118.95 123.34 3i8s s ARG 29 Ca 0.05 -0.55 -0.01 0.00 -1.00 0.00 0.00 55.73 54.22 3i8s s ARG 29 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 34.95 34.71 3i8s s ARG 29 CO -0.10 0.06 -0.11 0.08 0.00 0.00 0.00 175.30 175.23 3i8s s VAL 30 N -0.96 3.12 0.00 7.11 1.01 -1.26 -2.11 120.40 127.31 3i8s s VAL 30 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3i8s s VAL 30 Cb -0.07 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3i8s s VAL 30 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3i8s n GLY 31 N 3.89 5.13 3.13 4.51 0.00 0.50 -4.96 105.19 117.39 3i8s n GLY 31 Ca -0.18 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 3i8s n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8s s ASN 32 N 1.00 0.31 0.44 1.61 2.20 -1.26 -0.44 114.94 118.80 3i8s s ASN 32 Ca 0.00 -0.81 -0.23 0.00 -0.94 0.00 0.00 52.86 50.87 3i8s s ASN 32 Cb 0.00 0.25 -0.08 0.00 -2.00 0.00 0.00 41.25 39.42 3i8s s ASN 32 CO 0.00 -0.63 1.13 0.26 -2.94 0.00 0.00 177.10 174.91 3i8s s TRP 33 N -3.72 3.02 -0.01 1.54 0.52 0.16 -4.67 118.94 115.78 3i8s s TRP 33 Ca 0.05 1.57 -0.31 0.00 0.02 0.00 0.00 56.10 57.43 3i8s s TRP 33 Cb 0.06 -3.29 -0.09 0.00 -1.15 0.00 0.00 33.47 28.99 3i8s s TRP 33 CO -0.10 -1.19 1.97 0.00 0.02 0.00 0.00 176.95 177.65 3i8s n ALA 34 N -0.32 1.42 0.00 0.98 0.00 -1.26 -2.08 120.51 119.25 3i8s n ALA 34 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3i8s n ALA 34 Cb 0.49 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3i8s n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8s n GLY 35 N 4.61 3.39 3.63 0.00 0.00 -1.26 -5.03 105.19 110.54 3i8s n GLY 35 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3i8s n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8s s VAL 36 N -2.99 1.57 -0.57 1.61 -7.23 -0.89 -5.04 120.40 106.87 3i8s s VAL 36 Ca 0.00 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.41 3i8s s VAL 36 Cb 0.00 -2.69 0.27 0.00 0.56 0.00 0.00 36.38 34.52 3i8s s VAL 36 CO 0.00 0.00 1.62 0.74 -0.31 0.00 0.00 175.10 177.15 3i8s h THR 37 N 1.69 0.00 -3.03 5.32 2.02 -1.96 -3.39 112.91 113.56 3i8s h THR 37 Ca -0.43 -0.72 -0.53 0.00 0.77 0.00 0.00 66.41 65.50 3i8s h THR 37 Cb 1.26 1.65 0.06 0.00 -1.74 0.00 0.00 68.15 69.38 3i8s h THR 37 CO 0.76 0.00 0.89 -0.69 0.37 0.00 0.00 175.52 176.85 3i8s s VAL 38 N -3.17 2.33 0.37 3.16 1.01 -1.26 -4.81 120.40 118.03 3i8s s VAL 38 Ca 0.08 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 3i8s s VAL 38 Cb 0.09 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3i8s s VAL 38 CO 0.65 0.03 1.27 -0.70 0.00 0.00 0.00 175.10 176.35 3i8s s GLU 39 N 0.41 4.19 -0.23 2.72 2.12 -1.26 -0.67 118.70 125.98 3i8s s GLU 39 Ca 0.67 2.12 -0.01 0.00 0.36 0.00 0.00 54.97 58.11 3i8s s GLU 39 Cb -0.46 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.09 3i8s s GLU 39 CO 0.38 -0.29 -0.00 0.50 -0.54 0.00 0.00 175.26 175.30 3i8s s ARG 40 N -2.01 1.19 -0.09 4.30 3.52 0.42 -4.63 118.95 121.65 3i8s s ARG 40 Ca 0.53 -0.83 -0.13 0.00 -0.13 0.00 0.00 55.73 55.17 3i8s s ARG 40 Cb -0.37 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 3i8s s ARG 40 CO 0.49 -0.66 0.31 0.15 -0.81 0.00 0.00 175.30 174.78 3i8s s LYS 41 N 1.56 3.96 0.12 5.12 1.02 -1.26 -0.37 119.74 129.89 3i8s s LYS 41 Ca -0.02 0.19 0.05 0.00 0.02 0.00 0.00 55.97 56.21 3i8s s LYS 41 Cb -0.18 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 3i8s s LYS 41 CO -0.09 0.52 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.53 3i8s s GLU 42 N -0.44 1.01 0.37 1.68 2.02 -0.90 -1.65 118.70 120.79 3i8s s GLU 42 Ca 0.19 -1.26 -0.09 0.00 0.02 0.00 0.00 54.97 53.83 3i8s s GLU 42 Cb -0.14 -0.82 0.04 0.00 0.10 0.00 0.00 34.13 33.30 3i8s s GLU 42 CO 0.08 0.15 0.65 0.41 0.02 0.00 0.00 175.26 176.57 3i8s n GLY 43 N 0.43 1.47 3.21 -1.39 0.00 -0.12 -0.58 105.19 108.21 3i8s n GLY 43 Ca -0.15 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 3i8s n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8s s GLN 44 N -2.40 1.00 0.19 1.61 -1.52 0.18 0.51 119.66 119.23 3i8s s GLN 44 Ca 0.21 -0.97 -0.17 0.00 -1.95 0.00 0.00 55.36 52.48 3i8s s GLN 44 Cb -0.03 -1.10 0.03 0.00 -0.22 0.00 0.00 33.01 31.69 3i8s s GLN 44 CO 0.16 0.26 0.51 -0.59 -0.25 0.00 0.00 175.29 175.38 3i8s s PHE 45 N -1.09 -0.12 0.10 0.91 -0.71 -0.73 -4.47 117.98 111.86 3i8s s PHE 45 Ca 0.02 -0.21 0.07 0.00 -1.04 0.00 0.00 56.93 55.77 3i8s s PHE 45 Cb -0.09 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 3i8s s PHE 45 CO 0.03 -0.89 -0.11 -1.12 -1.34 0.00 0.00 175.22 171.78 3i8s s SER 46 N -2.87 4.34 0.00 1.98 0.01 -1.26 -0.20 113.70 115.71 3i8s s SER 46 Ca 0.09 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3i8s s SER 46 Cb -0.01 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.41 3i8s s SER 46 CO -0.04 0.18 0.00 0.35 0.41 0.00 0.00 173.24 174.14 3i8s n THR 47 N 0.75 0.00 -0.14 1.44 -2.24 0.00 -4.98 114.28 109.11 3i8s n THR 47 Ca -0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 3i8s n THR 47 Cb 0.52 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.69 3i8s n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i8s h THR 48 N 0.71 1.21 0.00 4.28 2.02 -2.00 -3.31 112.91 115.83 3i8s h THR 48 Ca 0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3i8s h THR 48 Cb 0.00 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3i8s h THR 48 CO 0.00 0.27 -0.74 0.47 0.37 0.00 0.00 175.52 175.90 3i8s n ASP 49 N -4.31 1.22 -4.05 4.18 8.00 -1.26 -5.07 116.55 115.26 3i8s n ASP 49 Ca 0.05 -0.48 -0.12 0.00 0.71 0.00 0.00 54.79 54.95 3i8s n ASP 49 Cb 0.18 1.13 -0.11 0.00 -0.02 0.00 0.00 41.12 42.31 3i8s n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i8s s HIS 50 N -2.09 0.60 -0.25 1.24 3.76 -1.25 -4.58 115.29 112.72 3i8s s HIS 50 Ca 0.01 -0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 54.31 3i8s s HIS 50 Cb 0.06 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.37 3i8s s HIS 50 CO 0.37 -0.12 0.04 -1.14 -0.85 0.00 0.00 174.74 173.04 3i8s s GLN 51 N -1.79 3.42 -0.16 1.40 2.00 -0.72 -0.82 119.66 122.99 3i8s s GLN 51 Ca -0.09 -0.62 -0.06 0.00 -2.00 0.00 0.00 55.36 52.58 3i8s s GLN 51 Cb -0.08 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.44 3i8s s GLN 51 CO -0.01 -0.26 0.05 0.08 -0.50 0.00 0.00 175.29 174.65 3i8s s VAL 52 N 1.54 4.65 -0.33 1.34 1.01 0.73 -1.76 120.40 127.59 3i8s s VAL 52 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3i8s s VAL 52 Cb -0.15 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3i8s s VAL 52 CO 0.01 0.49 0.22 -0.89 0.00 0.00 0.00 175.10 174.93 3i8s s THR 53 N 0.16 5.17 -0.22 3.92 2.01 -0.01 -1.77 115.64 124.89 3i8s s THR 53 Ca 0.04 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 3i8s s THR 53 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3i8s s THR 53 CO 0.01 0.04 0.12 -0.22 -0.69 0.00 0.00 174.62 173.88 3i8s s LEU 54 N 1.71 3.96 -0.25 4.42 2.96 0.18 -0.94 118.68 130.72 3i8s s LEU 54 Ca 0.06 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 3i8s s LEU 54 Cb -0.17 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 3i8s s LEU 54 CO 0.10 0.09 0.01 -0.69 -1.32 0.00 0.00 176.35 174.53 3i8s s VAL 55 N 0.91 3.63 -0.37 1.68 1.01 0.17 -0.94 120.40 126.49 3i8s s VAL 55 Ca 0.06 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 3i8s s VAL 55 Cb -0.13 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3i8s s VAL 55 CO 0.03 0.30 0.89 -0.62 0.00 0.00 0.00 175.10 175.70 3i8s s ASP 56 N 1.49 6.64 0.19 3.32 2.15 -0.66 -0.85 116.67 128.94 3i8s s ASP 56 Ca 0.04 0.49 -0.11 0.00 0.43 0.00 0.00 52.55 53.40 3i8s s ASP 56 Cb -0.15 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 39.95 3i8s s ASP 56 CO -0.01 -0.84 0.54 -0.76 -0.17 0.00 0.00 175.17 173.94 3i8s s LEU 57 N 3.40 4.24 0.28 -1.34 1.43 -0.52 -4.48 118.68 121.68 3i8s s LEU 57 Ca 0.36 0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 3i8s s LEU 57 Cb -0.12 -3.51 -0.14 0.00 0.03 0.00 0.00 46.19 42.45 3i8s s LEU 57 CO 0.19 -0.00 1.09 -2.65 0.23 0.00 0.00 176.35 175.21 3i8s n PRO 58 N 0.24 1.47 -2.02 1.29 -0.02 -1.26 -4.76 135.00 129.93 3i8s n PRO 58 Ca -0.02 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3i8s n PRO 58 Cb 0.52 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3i8s n PRO 58 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i8s s GLY 59 N -0.39 2.22 -0.10 -1.23 0.00 -1.26 -4.74 107.32 101.82 3i8s s GLY 59 Ca 0.61 1.31 -0.24 0.00 0.00 0.00 0.00 44.72 46.40 3i8s s GLY 59 CO 0.58 2.31 0.56 -1.08 0.00 0.00 0.00 173.10 175.47 3i8s s THR 60 N 0.19 0.01 -0.69 0.90 -1.32 -0.60 -4.51 115.64 109.62 3i8s s THR 60 Ca 0.61 -0.12 0.25 0.00 -1.21 0.00 0.00 61.69 61.22 3i8s s THR 60 Cb -0.41 -0.84 0.21 0.00 -1.51 0.00 0.00 72.50 69.94 3i8s s THR 60 CO 0.41 -0.06 1.62 1.88 -2.21 0.00 0.00 174.62 176.26 3i8s h TYR 61 N 3.93 0.00 -2.45 9.09 0.05 -1.94 -3.18 116.97 122.48 3i8s h TYR 61 Ca -0.28 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.51 3i8s h TYR 61 Cb 1.16 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.74 3i8s h TYR 61 CO 0.42 0.00 0.31 0.45 -1.05 0.00 0.00 178.16 178.29 3i8s s SER 62 N -4.50 -0.52 0.11 3.88 0.15 -1.26 -3.69 113.70 107.87 3i8s s SER 62 Ca 0.09 0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.20 3i8s s SER 62 Cb 0.12 0.50 0.74 0.00 -1.71 0.00 0.00 66.02 65.67 3i8s s SER 62 CO 0.64 -0.74 1.64 0.18 1.20 0.00 0.00 173.24 176.16 3i8s n LEU 63 N 0.05 0.56 -4.23 3.45 4.77 -1.26 -4.75 117.00 115.59 3i8s n LEU 63 Ca -0.15 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3i8s n LEU 63 Cb 0.62 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 3i8s n LEU 63 CO 0.15 -0.06 -0.30 0.42 -1.33 0.00 0.00 177.39 176.26 3i8s s THR 64 N -3.08 0.50 -0.03 -5.08 -4.23 -1.26 -4.54 115.64 97.92 3i8s s THR 64 Ca 0.10 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3i8s s THR 64 Cb 0.15 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.77 3i8s s THR 64 CO 0.63 -0.36 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.33 3i8s s THR 65 N -3.78 1.09 -0.21 3.99 2.01 -1.26 -5.04 115.64 112.43 3i8s s THR 65 Ca 0.27 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 3i8s s THR 65 Cb 0.07 -0.94 -0.19 0.00 0.01 0.00 0.00 72.50 71.45 3i8s s THR 65 CO 0.06 0.32 0.16 -0.38 -0.69 0.00 0.00 174.62 174.08 3i8s n ILE 66 N 3.17 1.54 1.16 1.82 2.08 -1.26 -4.58 119.36 123.29 3i8s n ILE 66 Ca -0.18 -0.09 0.12 0.00 0.56 0.00 0.00 62.75 63.16 3i8s n ILE 66 Cb 0.54 -2.01 0.22 0.00 -0.75 0.00 0.00 39.64 37.64 3i8s n ILE 66 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3i8s n SER 67 N -4.37 1.97 -2.04 4.38 7.64 -1.26 -4.59 113.62 115.35 3i8s n SER 67 Ca -0.35 -1.51 -0.06 0.00 1.01 0.00 0.00 58.87 57.96 3i8s n SER 67 Cb 0.72 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 64.10 3i8s n SER 67 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i8s n SER 68 N 0.27 -1.27 -4.77 6.43 3.41 -1.26 -5.15 113.62 111.28 3i8s n SER 68 Ca 0.13 -1.94 -0.38 0.00 -0.26 0.00 0.00 58.87 56.42 3i8s n SER 68 Cb 0.46 2.13 -0.01 0.00 -0.26 0.00 0.00 64.21 66.52 3i8s n SER 68 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i8s s GLN 69 N -2.10 3.91 0.41 4.33 0.74 -1.26 -4.72 119.66 120.96 3i8s s GLN 69 Ca 0.10 1.90 -0.05 0.00 0.05 0.00 0.00 55.36 57.36 3i8s s GLN 69 Cb -0.03 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.45 3i8s s GLN 69 CO 0.07 -0.46 0.70 -0.08 -0.55 0.00 0.00 175.29 174.97 3i8s s THR 70 N -1.42 4.94 0.34 -0.34 -1.32 -1.26 -4.88 115.64 111.71 3i8s s THR 70 Ca 0.60 0.14 0.04 0.00 -1.21 0.00 0.00 61.69 61.26 3i8s s THR 70 Cb -0.32 -3.81 -0.02 0.00 -1.51 0.00 0.00 72.50 66.84 3i8s s THR 70 CO 0.40 -0.63 0.50 -0.94 -2.21 0.00 0.00 174.62 171.74 3i8s s SER 71 N -3.72 6.06 0.22 8.08 1.04 -1.26 -4.99 113.70 119.12 3i8s s SER 71 Ca 0.46 0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.86 3i8s s SER 71 Cb -0.10 -1.54 0.20 0.00 0.10 0.00 0.00 66.02 64.68 3i8s s SER 71 CO 0.38 -0.40 1.89 0.25 0.98 0.00 0.00 173.24 176.34 3i8s h LEU 72 N 0.82 0.95 -0.42 2.42 5.85 -1.99 -1.46 115.31 121.48 3i8s h LEU 72 Ca -0.48 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.27 3i8s h LEU 72 Cb 1.25 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3i8s h LEU 72 CO 0.57 0.68 0.15 0.44 -0.34 0.00 0.00 178.44 179.94 3i8s h ASP 73 N 1.12 0.17 -0.63 1.25 3.32 -1.95 0.94 116.42 120.64 3i8s h ASP 73 Ca 0.31 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3i8s h ASP 73 Cb -0.11 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3i8s h ASP 73 CO -0.07 0.13 0.40 -0.33 -1.72 0.00 0.00 179.24 177.65 3i8s h GLU 74 N 0.32 0.85 -0.58 3.56 5.08 -1.81 -1.42 114.58 120.58 3i8s h GLU 74 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3i8s h GLU 74 Cb 0.18 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3i8s h GLU 74 CO -0.20 0.58 0.30 1.96 -1.00 0.00 0.00 179.01 180.66 3i8s h GLN 75 N 0.86 0.82 -0.28 2.33 4.20 -0.78 0.39 115.11 122.64 3i8s h GLN 75 Ca 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3i8s h GLN 75 Cb -0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3i8s h GLN 75 CO -0.05 0.65 0.12 0.82 -0.67 0.00 0.00 178.83 179.70 3i8s h ILE 76 N 0.79 1.16 -0.42 2.54 2.04 -0.69 -1.30 117.51 121.64 3i8s h ILE 76 Ca 0.20 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3i8s h ILE 76 Cb 0.08 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3i8s h ILE 76 CO -0.03 0.17 0.11 0.00 0.00 0.00 0.00 178.15 178.40 3i8s h ALA 77 N 0.97 0.55 -0.43 1.87 0.00 -1.04 -1.92 119.26 119.27 3i8s h ALA 77 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3i8s h ALA 77 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i8s h ALA 77 CO -0.01 0.22 0.09 0.00 0.00 0.00 0.00 179.25 179.54 3i8s h HIS 79 N 0.57 0.80 -0.07 0.00 6.17 -1.16 -1.02 115.15 120.45 3i8s h HIS 79 Ca 0.13 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 3i8s h HIS 79 Cb 0.35 -0.23 -0.00 0.00 2.52 0.00 0.00 27.41 30.05 3i8s h HIS 79 CO 0.02 0.71 -0.02 -0.92 0.71 0.00 0.00 177.93 178.43 3i8s h TYR 80 N 0.73 0.16 -0.66 5.26 3.20 -1.07 -0.93 116.97 123.66 3i8s h TYR 80 Ca 0.15 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3i8s h TYR 80 Cb 0.36 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3i8s h TYR 80 CO 0.02 0.49 0.28 0.82 -1.64 0.00 0.00 178.16 178.13 3i8s h ILE 81 N -0.22 1.24 0.00 1.81 1.08 -1.03 -1.95 117.51 118.43 3i8s h ILE 81 Ca 0.02 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3i8s h ILE 81 Cb 0.44 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3i8s h ILE 81 CO 0.01 0.29 0.00 -0.07 -0.69 0.00 0.00 178.15 177.69 3i8s h LEU 82 N 0.93 0.00 -1.15 1.44 3.38 -1.14 -2.88 115.31 115.90 3i8s h LEU 82 Ca 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3i8s h LEU 82 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3i8s h LEU 82 CO -0.02 0.00 -0.36 0.77 0.09 0.00 0.00 178.44 178.92 3i8s h SER 83 N 0.00 0.00 0.00 -0.43 4.64 -0.34 -3.47 113.55 113.94 3i8s h SER 83 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i8s h SER 83 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i8s h SER 83 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 3i8s n GLY 84 N -0.08 0.36 0.29 -0.77 0.00 -1.09 -4.93 105.19 98.97 3i8s n GLY 84 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3i8s n GLY 84 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3i8s h ASP 85 N 0.00 0.29 -3.76 1.61 3.58 -1.86 -3.42 116.42 112.86 3i8s h ASP 85 Ca 0.00 0.12 -0.50 0.00 0.42 0.00 0.00 57.03 57.08 3i8s h ASP 85 Cb 0.30 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 3i8s h ASP 85 CO 0.00 0.08 0.40 0.00 -2.88 0.00 0.00 179.24 176.84 3i8s s ALA 86 N -5.98 3.36 0.19 -0.78 0.00 -1.26 -4.81 121.76 112.48 3i8s s ALA 86 Ca -0.12 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.65 3i8s s ALA 86 Cb 0.22 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 20.14 3i8s s ALA 86 CO 0.77 0.05 1.44 -0.44 0.00 0.00 0.00 175.76 177.57 3i8s h ASP 87 N 4.10 0.04 -4.93 0.00 3.32 -0.30 -3.48 116.42 115.17 3i8s h ASP 87 Ca -0.46 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.61 3i8s h ASP 87 Cb 1.21 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 3i8s h ASP 87 CO 0.68 0.84 0.32 -1.48 -1.72 0.00 0.00 179.24 177.88 3i8s s LEU 88 N -7.21 -0.42 0.00 1.55 2.34 -1.19 -4.58 118.68 109.17 3i8s s LEU 88 Ca -0.01 -0.14 0.05 0.00 0.06 0.00 0.00 54.13 54.10 3i8s s LEU 88 Cb 0.11 2.41 -0.03 0.00 -0.56 0.00 0.00 46.19 48.12 3i8s s LEU 88 CO 0.80 -0.92 -0.15 -0.76 -1.06 0.00 0.00 176.35 174.25 3i8s s LEU 89 N -2.72 2.71 -0.33 1.48 1.43 0.14 -1.86 118.68 119.53 3i8s s LEU 89 Ca 0.05 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 3i8s s LEU 89 Cb -0.02 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3i8s s LEU 89 CO -0.07 0.29 0.18 -0.63 0.23 0.00 0.00 176.35 176.35 3i8s s ILE 90 N -0.86 4.72 -0.41 -0.59 1.01 0.07 -0.74 121.20 124.40 3i8s s ILE 90 Ca 0.14 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3i8s s ILE 90 Cb -0.11 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.92 3i8s s ILE 90 CO 0.04 -0.02 0.31 0.21 0.00 0.00 0.00 174.94 175.47 3i8s s ASN 91 N 1.62 6.11 -0.23 3.58 2.47 0.02 -1.32 114.94 127.20 3i8s s ASN 91 Ca 0.04 -0.93 -0.26 0.00 0.42 0.00 0.00 52.86 52.13 3i8s s ASN 91 Cb -0.18 -2.16 -0.00 0.00 -1.45 0.00 0.00 41.25 37.46 3i8s s ASN 91 CO 0.07 -0.47 0.88 -0.69 -3.72 0.00 0.00 177.10 173.18 3i8s s VAL 92 N 1.68 4.80 -0.14 -5.21 1.01 -0.15 -1.10 120.40 121.28 3i8s s VAL 92 Ca 0.05 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.74 3i8s s VAL 92 Cb -0.19 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.03 3i8s s VAL 92 CO 0.10 -0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.20 3i8s s VAL 93 N 2.89 2.08 -0.54 2.92 1.01 0.23 -4.33 120.40 124.67 3i8s s VAL 93 Ca 0.37 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 3i8s s VAL 93 Cb -0.15 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3i8s s VAL 93 CO 0.07 0.55 1.49 -0.62 0.00 0.00 0.00 175.10 176.59 3i8s s ASP 94 N 0.86 6.04 0.62 3.32 2.15 -1.26 -0.28 116.67 128.11 3i8s s ASP 94 Ca -0.06 0.41 0.30 0.00 0.43 0.00 0.00 52.55 53.64 3i8s s ASP 94 Cb -0.15 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.56 3i8s s ASP 94 CO -0.03 -1.75 2.00 0.00 -0.17 0.00 0.00 175.17 175.21 3i8s h ALA 95 N 11.57 1.75 -0.00 3.66 0.00 -1.27 -1.50 119.26 133.46 3i8s h ALA 95 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i8s h ALA 95 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i8s h ALA 95 CO 1.16 -0.43 -0.19 -1.13 0.00 0.00 0.00 179.25 178.67 3i8s n SER 96 N -3.47 0.35 -2.85 0.00 3.41 -1.26 -4.10 113.62 105.71 3i8s n SER 96 Ca 0.03 -0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.32 3i8s n SER 96 Cb 0.44 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 3i8s n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i8s n ASN 97 N -1.25 1.46 -0.02 4.04 3.02 -0.57 -5.00 115.26 116.94 3i8s n ASN 97 Ca 0.10 -2.89 -0.11 0.00 -0.03 0.00 0.00 54.58 51.65 3i8s n ASN 97 Cb 0.31 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 3i8s n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3i8s h LEU 98 N 2.98 0.15 -0.23 3.41 5.85 -1.69 -1.85 115.31 123.92 3i8s h LEU 98 Ca -0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3i8s h LEU 98 Cb 1.07 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3i8s h LEU 98 CO 0.53 0.18 0.07 -0.08 -0.34 0.00 0.00 178.44 178.80 3i8s h GLU 99 N 0.10 0.17 -0.70 1.25 4.81 -1.94 -0.39 114.58 117.88 3i8s h GLU 99 Ca 0.04 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3i8s h GLU 99 Cb 0.07 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3i8s h GLU 99 CO -0.01 0.11 0.29 -0.09 -0.73 0.00 0.00 179.01 178.58 3i8s h ARG 100 N 0.18 1.05 0.00 1.92 2.43 -1.94 -2.92 114.38 115.10 3i8s h ARG 100 Ca 0.10 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 3i8s h ARG 100 Cb 0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3i8s h ARG 100 CO -0.11 0.86 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.94 3i8s h ASN 101 N 1.00 0.00 0.86 -3.80 2.35 -0.65 -3.01 115.58 112.33 3i8s h ASN 101 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3i8s h ASN 101 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3i8s h ASN 101 CO -0.02 0.37 0.00 0.18 -1.65 0.00 0.00 177.43 176.31 3i8s n LEU 102 N -4.03 0.31 -0.16 1.61 4.77 -0.22 -3.21 117.00 116.08 3i8s n LEU 102 Ca -0.02 0.55 -0.07 0.00 -0.03 0.00 0.00 56.01 56.45 3i8s n LEU 102 Cb 0.41 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3i8s n LEU 102 CO 0.38 -0.25 1.07 0.22 -1.33 0.00 0.00 177.39 177.49 3i8s h TYR 103 N 0.00 0.60 -0.16 -1.77 3.20 -1.61 -0.43 116.97 116.80 3i8s h TYR 103 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3i8s h TYR 103 Cb 0.43 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3i8s h TYR 103 CO 0.00 0.37 -0.03 1.25 -1.64 0.00 0.00 178.16 178.11 3i8s h LEU 104 N 0.64 0.31 -0.56 2.82 5.85 -1.62 -3.04 115.31 119.71 3i8s h LEU 104 Ca 0.18 -0.35 0.11 0.00 0.84 0.00 0.00 57.88 58.66 3i8s h LEU 104 Cb -0.06 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 40.78 3i8s h LEU 104 CO -0.05 0.59 -0.11 0.74 -0.34 0.00 0.00 178.44 179.27 3i8s h THR 105 N 0.02 0.46 -0.77 1.05 2.02 -1.54 -1.66 112.91 112.50 3i8s h THR 105 Ca 0.04 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.33 3i8s h THR 105 Cb 0.45 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3i8s h THR 105 CO 0.01 0.00 0.39 0.25 0.37 0.00 0.00 175.52 176.55 3i8s h LEU 106 N 0.02 0.50 -0.30 2.58 5.85 -1.07 -1.18 115.31 121.70 3i8s h LEU 106 Ca 0.27 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3i8s h LEU 106 Cb 0.42 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3i8s h LEU 106 CO -0.56 0.26 0.20 1.56 -0.34 0.00 0.00 178.44 179.56 3i8s h GLN 107 N 0.62 0.40 -0.68 1.25 4.20 -1.20 0.12 115.11 119.82 3i8s h GLN 107 Ca 0.39 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.07 3i8s h GLN 107 Cb 0.46 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3i8s h GLN 107 CO -0.30 0.28 0.42 -0.07 -0.67 0.00 0.00 178.83 178.48 3i8s h LEU 108 N 0.40 0.81 -0.40 1.46 3.38 -0.80 -0.94 115.31 119.22 3i8s h LEU 108 Ca 0.11 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3i8s h LEU 108 Cb -0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3i8s h LEU 108 CO -0.02 0.62 -0.55 -0.07 0.09 0.00 0.00 178.44 178.51 3i8s h LEU 109 N 0.92 0.81 -1.24 1.67 3.38 -1.03 -2.42 115.31 117.40 3i8s h LEU 109 Ca 0.24 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3i8s h LEU 109 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3i8s h LEU 109 CO -0.05 1.20 0.03 -0.33 0.09 0.00 0.00 178.44 179.38 3i8s h GLU 110 N 0.56 0.55 0.00 1.13 5.08 -0.59 -1.27 114.58 120.04 3i8s h GLU 110 Ca 0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3i8s h GLU 110 Cb 1.13 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3i8s h GLU 110 CO 0.11 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.95 3i8s n LEU 111 N -4.29 0.03 -0.45 1.33 4.77 -0.37 -4.75 117.00 113.26 3i8s n LEU 111 Ca 0.02 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.45 3i8s n LEU 111 Cb 0.23 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3i8s n LEU 111 CO 0.39 -0.17 -0.05 0.61 -1.33 0.00 0.00 177.39 176.84 3i8s n GLY 112 N 0.57 0.60 3.71 -0.72 0.00 -0.48 -4.41 105.19 104.47 3i8s n GLY 112 Ca 0.05 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3i8s n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8s s ILE 113 N -2.21 4.83 -0.06 -0.61 -1.09 -0.94 -4.92 121.20 116.20 3i8s s ILE 113 Ca 0.00 2.04 -0.37 0.00 -2.23 0.00 0.00 60.65 60.09 3i8s s ILE 113 Cb 0.00 -4.31 -0.15 0.00 -1.58 0.00 0.00 42.46 36.42 3i8s s ILE 113 CO 0.00 0.14 1.60 -2.65 -1.23 0.00 0.00 174.94 172.80 3i8s n PRO 114 N 4.06 1.47 -4.06 2.79 -0.02 -1.26 -4.72 135.00 133.26 3i8s n PRO 114 Ca 0.06 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3i8s n PRO 114 Cb 0.51 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.60 3i8s n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8s s ILE 116 N -0.10 1.87 -0.21 0.00 1.01 0.08 -4.16 121.20 119.69 3i8s s ILE 116 Ca 0.01 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.56 3i8s s ILE 116 Cb -0.01 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3i8s s ILE 116 CO -0.00 0.52 0.67 -0.69 0.00 0.00 0.00 174.94 175.43 3i8s s VAL 117 N 0.71 4.98 -0.41 2.92 1.01 -0.25 -0.80 120.40 128.57 3i8s s VAL 117 Ca -0.11 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 3i8s s VAL 117 Cb -0.16 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.28 3i8s s VAL 117 CO 0.02 0.07 0.27 0.00 0.00 0.00 0.00 175.10 175.45 3i8s s ALA 118 N 2.14 3.37 -0.41 5.51 0.00 -0.26 -0.40 121.76 131.71 3i8s s ALA 118 Ca 0.30 -1.86 -0.25 0.00 0.00 0.00 0.00 51.96 50.15 3i8s s ALA 118 Cb -0.16 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.23 3i8s s ALA 118 CO 0.10 -1.51 0.89 -0.51 0.00 0.00 0.00 175.76 174.72 3i8s s LEU 119 N 1.58 4.05 0.00 0.00 1.43 -0.15 -0.60 118.68 124.99 3i8s s LEU 119 Ca 0.03 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3i8s s LEU 119 Cb -0.21 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3i8s s LEU 119 CO 0.07 -0.91 0.00 -0.46 0.23 0.00 0.00 176.35 175.27 3i8s n ASN 120 N 6.86 2.60 -2.21 2.29 6.94 0.62 -0.34 115.26 132.00 3i8s n ASN 120 Ca 0.05 -1.95 -0.18 0.00 -0.02 0.00 0.00 54.58 52.48 3i8s n ASN 120 Cb 0.48 0.15 0.01 0.00 -2.36 0.00 0.00 39.78 38.06 3i8s n ASN 120 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3i8s n MET 121 N -0.55 -2.42 -0.27 -3.83 2.81 -1.26 -0.87 117.12 110.73 3i8s n MET 121 Ca -0.09 0.82 -0.06 0.00 -1.81 0.00 0.00 57.70 56.56 3i8s n MET 121 Cb 0.28 -5.33 0.07 0.00 -0.71 0.00 0.00 33.22 27.53 3i8s n MET 121 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3i8s h LEU 122 N -0.44 1.08 -0.62 4.03 3.38 -1.87 -1.00 115.31 119.88 3i8s h LEU 122 Ca -0.43 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.36 3i8s h LEU 122 Cb 1.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3i8s h LEU 122 CO 0.49 0.99 0.41 0.44 0.09 0.00 0.00 178.44 180.85 3i8s h ASP 123 N 1.12 0.70 -0.51 -0.43 3.32 -1.94 -1.60 116.42 117.06 3i8s h ASP 123 Ca 0.25 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3i8s h ASP 123 Cb 0.28 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3i8s h ASP 123 CO -0.01 0.50 0.00 0.40 -1.72 0.00 0.00 179.24 178.41 3i8s h ILE 124 N 0.83 1.26 -0.35 0.35 2.04 -1.89 -2.80 117.51 116.95 3i8s h ILE 124 Ca 0.23 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3i8s h ILE 124 Cb -0.08 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3i8s h ILE 124 CO -0.06 0.38 0.22 0.00 0.00 0.00 0.00 178.15 178.70 3i8s h ALA 125 N 0.94 0.44 -0.95 1.87 0.00 -1.02 -2.80 119.26 117.74 3i8s h ALA 125 Ca 0.15 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3i8s h ALA 125 Cb 0.52 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3i8s h ALA 125 CO 0.03 -0.12 0.61 1.49 0.00 0.00 0.00 179.25 181.26 3i8s h GLU 126 N 0.45 0.95 -0.09 0.00 4.81 -1.18 0.75 114.58 120.26 3i8s h GLU 126 Ca 0.13 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3i8s h GLU 126 Cb -0.03 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3i8s h GLU 126 CO -0.04 0.63 -0.44 0.87 -0.73 0.00 0.00 179.01 179.30 3i8s h LYS 127 N 0.98 0.22 -0.63 1.92 1.57 -1.31 -1.95 116.57 117.37 3i8s h LYS 127 Ca 0.45 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3i8s h LYS 127 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3i8s h LYS 127 CO -0.21 0.62 0.00 1.04 -0.57 0.00 0.00 179.45 180.34 3i8s n GLN 128 N -4.00 1.95 -2.84 3.15 6.02 -0.42 -4.89 117.38 116.35 3i8s n GLN 128 Ca -0.02 -0.91 -0.20 0.00 -0.01 0.00 0.00 57.00 55.86 3i8s n GLN 128 Cb 0.50 -1.53 0.01 0.00 1.02 0.00 0.00 30.24 30.24 3i8s n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3i8s n ASN 129 N 0.18 -5.08 -4.58 1.08 3.02 -0.73 -4.97 115.26 104.18 3i8s n ASN 129 Ca 0.08 -0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.10 3i8s n ASN 129 Cb 0.41 -4.19 -0.11 0.00 -0.61 0.00 0.00 39.78 35.29 3i8s n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i8s s ILE 130 N -2.97 5.30 -0.06 2.41 1.01 0.12 -4.84 121.20 122.17 3i8s s ILE 130 Ca 0.19 0.13 0.05 0.00 0.00 0.00 0.00 60.65 61.03 3i8s s ILE 130 Cb -0.09 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 3i8s s ILE 130 CO 0.24 0.20 -0.23 0.00 0.00 0.00 0.00 174.94 175.16 3i8s s ARG 131 N 1.77 2.37 -0.16 2.79 1.70 -1.26 -3.85 118.95 122.31 3i8s s ARG 131 Ca 0.07 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.50 3i8s s ARG 131 Cb -0.16 -2.00 -0.01 0.00 -0.57 0.00 0.00 34.95 32.21 3i8s s ARG 131 CO 0.11 0.32 -0.10 0.42 -1.08 0.00 0.00 175.30 174.97 3i8s s ILE 132 N -0.06 3.13 -0.78 4.99 1.01 -1.26 -1.11 121.20 127.12 3i8s s ILE 132 Ca -0.05 -0.61 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 3i8s s ILE 132 Cb -0.13 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3i8s s ILE 132 CO 0.04 0.49 1.74 -0.70 0.00 0.00 0.00 174.94 176.51 3i8s s GLU 133 N 0.79 2.82 0.19 2.79 2.12 0.19 -4.88 118.70 122.72 3i8s s GLU 133 Ca -0.04 -0.05 -0.13 0.00 0.36 0.00 0.00 54.97 55.11 3i8s s GLU 133 Cb -0.15 -4.71 0.22 0.00 0.26 0.00 0.00 34.13 29.75 3i8s s GLU 133 CO 0.01 -2.79 1.68 0.82 -0.54 0.00 0.00 175.26 174.45 3i8s h ILE 134 N 6.87 0.59 0.00 -3.70 2.04 -1.96 -1.48 117.51 119.87 3i8s h ILE 134 Ca -0.08 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3i8s h ILE 134 Cb 1.07 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3i8s h ILE 134 CO 1.25 0.02 -0.67 0.44 0.00 0.00 0.00 178.15 179.19 3i8s h ASP 135 N 0.14 0.00 -0.70 1.72 3.32 -1.92 -1.48 116.42 117.49 3i8s h ASP 135 Ca 0.27 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3i8s h ASP 135 Cb 0.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3i8s h ASP 135 CO -0.43 0.67 0.25 0.00 -1.72 0.00 0.00 179.24 178.01 3i8s h ALA 136 N 1.33 0.92 -0.11 3.45 0.00 -1.85 -0.25 119.26 122.75 3i8s h ALA 136 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3i8s h ALA 136 Cb 1.21 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i8s h ALA 136 CO 0.09 0.57 0.00 1.25 0.00 0.00 0.00 179.25 181.16 3i8s h LEU 137 N 1.02 0.19 -0.75 0.00 5.85 -1.07 -2.51 115.31 118.04 3i8s h LEU 137 Ca 0.23 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3i8s h LEU 137 Cb 0.25 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3i8s h LEU 137 CO -0.01 0.44 0.43 -1.28 -0.34 0.00 0.00 178.44 177.68 3i8s h SER 138 N -0.08 0.65 -0.99 1.25 0.87 -1.21 -0.71 113.55 113.34 3i8s h SER 138 Ca 0.03 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3i8s h SER 138 Cb 0.35 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3i8s h SER 138 CO 0.01 0.41 0.65 0.00 -0.53 0.00 0.00 176.83 177.37 3i8s h ALA 139 N 1.38 1.27 0.02 6.23 0.00 -0.97 0.24 119.26 127.42 3i8s h ALA 139 Ca 0.34 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 3i8s h ALA 139 Cb 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i8s h ALA 139 CO -0.19 0.61 -0.92 0.00 0.00 0.00 0.00 179.25 178.75 3i8s h ARG 140 N 1.31 0.17 0.00 0.00 3.08 -0.95 -3.27 114.38 114.72 3i8s h ARG 140 Ca 0.37 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 3i8s h ARG 140 Cb -0.11 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3i8s h ARG 140 CO -0.09 0.97 -1.20 -0.07 -1.07 0.00 0.00 179.97 178.51 3i8s h LEU 141 N 0.08 0.00 0.94 3.04 3.38 -0.87 -3.46 115.31 118.42 3i8s h LEU 141 Ca -0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3i8s h LEU 141 Cb 1.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 3i8s h LEU 141 CO 0.14 0.76 -0.19 0.61 0.09 0.00 0.00 178.44 179.85 3i8s n GLY 142 N 1.39 0.28 3.16 0.83 0.00 0.81 -4.85 105.19 106.82 3i8s n GLY 142 Ca -0.07 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 3i8s n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8s s PRO 144 N -3.98 3.32 -0.17 0.00 0.02 -1.26 -4.46 135.00 128.47 3i8s s PRO 144 Ca 0.16 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.38 3i8s s PRO 144 Cb 0.07 -2.35 0.04 0.00 0.02 0.00 0.00 34.50 32.28 3i8s s PRO 144 CO -0.03 -1.04 -0.05 0.08 -0.33 0.00 0.00 177.00 175.62 3i8s s VAL 145 N -1.32 1.15 -0.24 3.83 1.01 -1.26 -1.08 120.40 122.49 3i8s s VAL 145 Ca 0.69 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3i8s s VAL 145 Cb -0.39 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3i8s s VAL 145 CO 0.47 0.12 -0.03 -0.63 0.00 0.00 0.00 175.10 175.03 3i8s s ILE 146 N 1.61 3.23 -0.09 2.22 -1.09 0.46 -4.95 121.20 122.59 3i8s s ILE 146 Ca 0.00 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 3i8s s ILE 146 Cb -0.15 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3i8s s ILE 146 CO -0.08 0.28 1.43 -2.16 -1.23 0.00 0.00 174.94 173.18 3i8s s PRO 147 N 1.41 4.23 -1.30 2.79 0.04 -1.26 -0.97 135.00 139.94 3i8s s PRO 147 Ca 0.03 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3i8s s PRO 147 Cb -0.16 -3.80 -0.00 0.00 0.04 0.00 0.00 34.50 30.58 3i8s s PRO 147 CO -0.03 -0.72 2.13 1.28 0.04 0.00 0.00 177.00 179.70 3i8s n LEU 148 N 6.49 6.09 -4.67 -3.56 4.77 0.53 -4.48 117.00 122.16 3i8s n LEU 148 Ca 0.15 -3.84 -0.42 0.00 -0.03 0.00 0.00 56.01 51.86 3i8s n LEU 148 Cb 0.44 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 3i8s n LEU 148 CO 0.59 0.68 1.55 0.52 -1.33 0.00 0.00 177.39 179.40 3i8s n VAL 149 N 5.42 0.58 -0.03 4.08 0.31 -1.26 -4.74 118.33 122.69 3i8s n VAL 149 Ca 0.51 -0.10 -0.05 0.00 -0.01 0.00 0.00 64.34 64.69 3i8s n VAL 149 Cb 0.40 -2.23 0.16 0.00 -0.91 0.00 0.00 33.84 31.26 3i8s n VAL 149 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3i8s h SER 150 N 9.63 0.61 -2.58 4.52 4.64 -1.96 -0.26 113.55 128.15 3i8s h SER 150 Ca -0.48 -0.21 -0.53 0.00 -0.47 0.00 0.00 61.79 60.10 3i8s h SER 150 Cb 1.23 -0.17 0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3i8s h SER 150 CO 0.94 0.83 1.08 -0.89 -0.87 0.00 0.00 176.83 177.92 3i8s s THR 151 N -4.57 2.84 -1.51 2.95 2.01 -1.26 -2.42 115.64 113.69 3i8s s THR 151 Ca -0.08 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.18 3i8s s THR 151 Cb 0.14 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3i8s s THR 151 CO 0.81 -0.00 0.00 0.54 -0.69 0.00 0.00 174.62 175.27 3i8s n ARG 152 N 5.92 -1.62 -2.07 4.92 1.74 -1.26 -1.48 116.66 122.82 3i8s n ARG 152 Ca 0.17 0.84 -0.16 0.00 -0.77 0.00 0.00 57.85 57.93 3i8s n ARG 152 Cb 0.40 -5.27 -0.03 0.00 -1.02 0.00 0.00 32.46 26.54 3i8s n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8s n GLY 153 N -0.53 0.26 0.33 -0.13 0.00 -1.02 -4.91 105.19 99.20 3i8s n GLY 153 Ca -0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 3i8s n GLY 153 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i8s h ARG 154 N 0.00 1.07 -0.66 1.61 3.08 -1.25 -2.71 114.38 115.52 3i8s h ARG 154 Ca -0.38 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.45 3i8s h ARG 154 Cb 1.23 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 3i8s h ARG 154 CO 0.47 0.86 0.23 0.78 -1.07 0.00 0.00 179.97 181.25 3i8s h GLY 155 N 1.10 1.06 0.97 0.04 0.00 -1.26 -1.98 103.07 103.00 3i8s h GLY 155 Ca 0.25 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3i8s h GLY 155 CO -0.02 0.54 0.25 -2.22 0.00 0.00 0.00 176.54 175.09 3i8s h ILE 156 N 0.96 1.16 -0.98 2.60 2.04 -1.72 0.21 117.51 121.78 3i8s h ILE 156 Ca 0.22 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3i8s h ILE 156 Cb 0.23 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3i8s h ILE 156 CO -0.01 0.17 0.64 -0.33 0.00 0.00 0.00 178.15 178.62 3i8s h GLU 157 N 0.59 1.19 -0.07 2.37 4.39 -1.30 -1.38 114.58 120.37 3i8s h GLU 157 Ca 0.16 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 3i8s h GLU 157 Cb 0.05 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3i8s h GLU 157 CO -0.03 0.79 -0.59 0.00 -1.16 0.00 0.00 179.01 178.02 3i8s h ALA 158 N 1.41 0.88 -0.69 3.43 0.00 -0.90 -1.53 119.26 121.86 3i8s h ALA 158 Ca 0.40 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3i8s h ALA 158 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i8s h ALA 158 CO -0.13 0.72 0.17 1.25 0.00 0.00 0.00 179.25 181.26 3i8s h LEU 159 N 0.16 1.04 -0.59 0.00 5.85 -0.07 -1.09 115.31 120.61 3i8s h LEU 159 Ca -0.00 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 3i8s h LEU 159 Cb 1.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3i8s h LEU 159 CO 0.09 1.00 -0.04 0.11 -0.34 0.00 0.00 178.44 179.26 3i8s h LYS 160 N 1.03 1.07 -0.67 1.25 1.57 -0.97 -1.67 116.57 118.18 3i8s h LYS 160 Ca 0.22 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3i8s h LYS 160 Cb 0.36 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 3i8s h LYS 160 CO 0.00 1.06 0.39 1.25 -0.57 0.00 0.00 179.45 181.58 3i8s h LEU 161 N 0.96 0.61 -1.20 2.94 5.85 -1.12 -2.17 115.31 121.18 3i8s h LEU 161 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3i8s h LEU 161 Cb 0.61 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3i8s h LEU 161 CO 0.04 0.40 0.26 0.00 -0.34 0.00 0.00 178.44 178.80 3i8s h ALA 162 N 1.32 1.37 -0.21 1.25 0.00 -0.69 -2.01 119.26 120.30 3i8s h ALA 162 Ca 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i8s h ALA 162 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i8s h ALA 162 CO -0.15 0.48 0.06 0.82 0.00 0.00 0.00 179.25 180.47 3i8s h ILE 163 N 0.82 1.19 -0.31 0.00 2.04 -0.97 -1.42 117.51 118.86 3i8s h ILE 163 Ca 0.20 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3i8s h ILE 163 Cb 0.11 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3i8s h ILE 163 CO -0.02 0.19 0.21 0.44 0.00 0.00 0.00 178.15 178.97 3i8s h ASP 164 N 0.16 0.23 0.10 1.72 3.45 -1.11 -2.24 116.42 118.73 3i8s h ASP 164 Ca 0.07 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3i8s h ASP 164 Cb 0.23 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3i8s h ASP 164 CO -0.00 0.16 -0.14 0.54 -1.57 0.00 0.00 179.24 178.23 3i8s n ARG 165 N -4.49 1.31 -1.89 3.56 1.74 -0.78 -5.01 116.66 111.10 3i8s n ARG 165 Ca 0.03 -0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 55.88 3i8s n ARG 165 Cb 0.19 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3i8s n ARG 165 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3i8s s TYR 166 N -2.25 2.79 0.00 -1.55 1.13 -0.58 -5.00 117.35 111.89 3i8s s TYR 166 Ca 0.30 1.08 0.00 0.00 -1.41 0.00 0.00 57.07 57.04 3i8s s TYR 166 Cb 0.20 -3.94 0.00 0.00 -1.10 0.00 0.00 41.96 37.12 3i8s s TYR 166 CO 0.43 -2.90 0.00 1.63 -2.51 0.00 0.00 175.55 172.20 3i8s n LYS 167 N 1.31 0.00 -3.91 -3.49 4.76 -1.26 -5.08 118.16 110.49 3i8s n LYS 167 Ca 0.04 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 3i8s n LYS 167 Cb 0.39 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.50 3i8s n LYS 167 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i8s s ALA 168 N -3.13 -0.08 0.69 7.82 0.00 -1.26 -5.10 121.76 120.69 3i8s s ALA 168 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 3i8s s ALA 168 Cb 0.00 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.48 3i8s s ALA 168 CO 0.00 -0.40 1.21 -0.80 0.00 0.00 0.00 175.76 175.76 3i8s s ASN 169 N -2.50 4.54 0.19 0.00 0.01 -1.26 -4.96 114.94 110.95 3i8s s ASN 169 Ca 0.00 2.35 -0.30 0.00 -0.71 0.00 0.00 52.86 54.21 3i8s s ASN 169 Cb 0.02 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 39.01 3i8s s ASN 169 CO -0.08 -2.03 1.20 -1.61 -1.51 0.00 0.00 177.10 173.07 3i8s s GLU 170 N -3.76 4.50 -1.28 -0.60 0.41 0.16 -4.92 118.70 113.20 3i8s s GLU 170 Ca 0.75 1.88 -0.17 0.00 -0.41 0.00 0.00 54.97 57.02 3i8s s GLU 170 Cb -0.29 -3.23 0.09 0.00 -1.78 0.00 0.00 34.13 28.91 3i8s s GLU 170 CO 0.42 -0.07 1.68 1.21 -0.49 0.00 0.00 175.26 178.01 3i8s s ASN 171 N 0.06 6.88 0.03 -0.19 2.47 -1.26 -4.67 114.94 118.26 3i8s s ASN 171 Ca 0.52 -2.54 0.02 0.00 0.42 0.00 0.00 52.86 51.28 3i8s s ASN 171 Cb -0.33 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 36.89 3i8s s ASN 171 CO 0.37 -1.10 0.04 0.68 -3.72 0.00 0.00 177.10 173.37 3i8s s VAL 172 N 3.77 4.35 -0.00 -5.21 -7.23 -1.26 -5.08 120.40 109.74 3i8s s VAL 172 Ca 0.52 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 3i8s s VAL 172 Cb 0.03 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.90 3i8s s VAL 172 CO 0.06 0.28 1.55 -0.70 -0.31 0.00 0.00 175.10 175.99 3i8s s GLU 173 N -1.87 4.22 -0.02 4.82 2.12 -1.26 -4.92 118.70 121.80 3i8s s GLU 173 Ca 0.23 2.13 -0.01 0.00 0.36 0.00 0.00 54.97 57.68 3i8s s GLU 173 Cb -0.12 -3.71 -0.00 0.00 0.26 0.00 0.00 34.13 30.56 3i8s s GLU 173 CO 0.15 -0.71 -0.02 1.28 -0.54 0.00 0.00 175.26 175.41 3i8s n LEU 174 N 6.01 0.19 -4.86 2.70 4.77 -1.26 -4.95 117.00 119.60 3i8s n LEU 174 Ca 0.15 0.24 -0.37 0.00 -0.03 0.00 0.00 56.01 56.00 3i8s n LEU 174 Cb 0.42 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3i8s n LEU 174 CO 0.61 -0.49 -0.13 -0.69 -1.33 0.00 0.00 177.39 175.36 3i8s s VAL 175 N -1.14 5.43 -0.81 4.08 1.01 -1.26 -4.86 120.40 122.85 3i8s s VAL 175 Ca -0.02 0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 3i8s s VAL 175 Cb 0.00 -3.45 0.21 0.00 0.00 0.00 0.00 36.38 33.14 3i8s s VAL 175 CO 0.03 0.60 0.73 -2.28 0.00 0.00 0.00 175.10 174.18 3i8s s HIS 176 N -0.93 3.73 0.34 5.22 2.46 -1.26 -5.06 115.29 119.78 3i8s s HIS 176 Ca 0.16 -2.07 -0.21 0.00 0.47 0.00 0.00 55.06 53.41 3i8s s HIS 176 Cb -0.13 -3.75 -0.10 0.00 -0.13 0.00 0.00 32.58 28.47 3i8s s HIS 176 CO 0.05 -0.97 0.86 0.71 -2.47 0.00 0.00 174.74 172.92 3i8s s TYR 177 N 0.13 3.50 0.33 3.88 1.51 -1.26 -4.89 117.35 120.56 3i8s s TYR 177 Ca 0.18 1.54 -0.27 0.00 -1.01 0.00 0.00 57.07 57.50 3i8s s TYR 177 Cb -0.11 -2.76 -0.13 0.00 -0.11 0.00 0.00 41.96 38.85 3i8s s TYR 177 CO -0.08 0.11 1.15 0.00 -1.11 0.00 0.00 175.55 175.62 3i8s n ALA 178 N 0.04 0.57 -0.31 3.71 0.00 -1.26 -4.83 120.51 118.43 3i8s n ALA 178 Ca 0.03 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.87 3i8s n ALA 178 Cb 0.52 -2.14 0.25 0.00 0.00 0.00 0.00 19.45 18.08 3i8s n ALA 178 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i8s h GLN 179 N 2.19 0.98 -0.41 0.00 5.75 -2.00 -1.86 115.11 119.76 3i8s h GLN 179 Ca -0.43 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 3i8s h GLN 179 Cb 1.31 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 3i8s h GLN 179 CO 0.61 0.65 0.27 -1.35 -2.65 0.00 0.00 178.83 176.36 3i8s h PRO 180 N 1.01 0.37 -0.29 -2.39 0.11 -1.99 -0.69 132.00 128.13 3i8s h PRO 180 Ca 0.40 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 3i8s h PRO 180 Cb 0.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3i8s h PRO 180 CO -0.16 0.24 0.12 -0.07 -0.21 0.00 0.00 178.00 177.92 3i8s h LEU 181 N 0.38 0.39 -0.71 2.35 3.38 -1.70 -1.49 115.31 117.91 3i8s h LEU 181 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i8s h LEU 181 Cb 0.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3i8s h LEU 181 CO -0.04 0.44 0.43 -0.07 0.09 0.00 0.00 178.44 179.30 3i8s h LEU 182 N 0.32 0.86 -0.09 1.67 3.38 -1.27 -0.95 115.31 119.23 3i8s h LEU 182 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i8s h LEU 182 Cb 0.17 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i8s h LEU 182 CO -0.01 0.66 0.05 0.78 0.09 0.00 0.00 178.44 180.02 3i8s h ASN 183 N 0.97 0.10 -0.51 -0.43 2.35 -1.00 -1.37 115.58 115.70 3i8s h ASN 183 Ca 0.26 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3i8s h ASN 183 Cb -0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3i8s h ASN 183 CO -0.05 0.11 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.43 3i8s h GLU 184 N 0.09 0.96 -0.72 0.81 4.39 -1.14 -0.95 114.58 118.01 3i8s h GLU 184 Ca 0.03 -0.35 0.04 0.00 0.34 0.00 0.00 59.36 59.42 3i8s h GLU 184 Cb 0.02 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3i8s h GLU 184 CO -0.01 1.01 0.45 0.00 -1.16 0.00 0.00 179.01 179.30 3i8s h ALA 185 N 0.91 0.96 -0.27 3.43 0.00 -1.05 -0.93 119.26 122.32 3i8s h ALA 185 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3i8s h ALA 185 Cb 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i8s h ALA 185 CO 0.04 0.21 -0.24 0.22 0.00 0.00 0.00 179.25 179.48 3i8s h ASP 186 N 0.86 0.67 -0.77 0.00 3.58 -1.03 0.23 116.42 119.96 3i8s h ASP 186 Ca 0.30 -0.46 0.12 0.00 0.42 0.00 0.00 57.03 57.41 3i8s h ASP 186 Cb 0.06 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 40.84 3i8s h ASP 186 CO -0.13 1.00 0.37 0.28 -2.88 0.00 0.00 179.24 177.88 3i8s h SER 187 N 0.36 0.45 -0.15 2.28 0.02 -1.03 -0.35 113.55 115.13 3i8s h SER 187 Ca 0.05 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3i8s h SER 187 Cb 0.79 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3i8s h SER 187 CO 0.06 0.22 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.88 3i8s h LEU 188 N 0.58 0.28 -1.40 5.07 3.38 -0.85 -3.13 115.31 119.25 3i8s h LEU 188 Ca 0.40 -0.35 0.19 0.00 0.09 0.00 0.00 57.88 58.20 3i8s h LEU 188 Cb 0.50 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3i8s h LEU 188 CO -0.32 0.57 0.59 0.00 0.09 0.00 0.00 178.44 179.37 3i8s h ALA 189 N 0.72 2.05 0.00 1.53 0.00 0.54 -0.85 119.26 123.25 3i8s h ALA 189 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i8s h ALA 189 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i8s h ALA 189 CO 0.01 -0.34 0.00 0.87 0.00 0.00 0.00 179.25 179.80 3i8s h LYS 190 N 0.52 0.00 -0.18 0.00 1.57 -1.05 -2.49 116.57 114.94 3i8s h LYS 190 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3i8s h LYS 190 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3i8s h LYS 190 CO -0.21 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.00 3i8s n VAL 191 N -2.75 0.95 -2.25 0.50 0.24 -0.33 -5.03 118.33 109.66 3i8s n VAL 191 Ca -0.02 -0.97 -0.29 0.00 -2.04 0.00 0.00 64.34 61.02 3i8s n VAL 191 Cb 0.09 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.01 3i8s n VAL 191 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3i8s s MET 192 N -0.97 3.36 -0.20 7.34 -1.94 -0.94 -4.04 119.30 121.91 3i8s s MET 192 Ca 0.12 0.38 -0.39 0.00 -1.71 0.00 0.00 55.69 54.09 3i8s s MET 192 Cb 0.06 -2.22 -0.15 0.00 2.01 0.00 0.00 34.83 34.54 3i8s s MET 192 CO 0.08 -0.52 1.71 -2.30 -0.01 0.00 0.00 175.02 173.99 3i8s n PRO 193 N -2.57 1.32 0.15 2.03 -0.02 -1.26 -4.81 135.00 129.84 3i8s n PRO 193 Ca 0.04 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3i8s n PRO 193 Cb 0.55 -2.19 0.54 0.00 -0.02 0.00 0.00 33.50 32.39 3i8s n PRO 193 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i8s h SER 194 N 7.14 0.00 0.00 2.55 4.64 -1.95 -2.36 113.55 123.57 3i8s h SER 194 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i8s h SER 194 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3i8s h SER 194 CO 0.93 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.99 3i8s n ASP 195 N -2.35 0.00 -4.59 4.97 5.75 -1.26 -4.68 116.55 114.39 3i8s n ASP 195 Ca 0.01 -1.60 -0.35 0.00 -0.01 0.00 0.00 54.79 52.85 3i8s n ASP 195 Cb 0.21 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 3i8s n ASP 195 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i8s s ILE 196 N -2.00 4.63 0.44 2.12 1.01 -0.89 -5.10 121.20 121.41 3i8s s ILE 196 Ca 0.03 -0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 3i8s s ILE 196 Cb 0.01 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 3i8s s ILE 196 CO 0.02 0.44 1.13 -2.65 0.00 0.00 0.00 174.94 173.88 3i8s n PRO 197 N 3.76 1.56 -0.28 2.79 -0.02 -1.26 -4.70 135.00 136.85 3i8s n PRO 197 Ca -0.17 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 3i8s n PRO 197 Cb 0.52 -2.21 0.23 0.00 -0.02 0.00 0.00 33.50 32.03 3i8s n PRO 197 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i8s h LEU 198 N 1.68 0.06 -0.85 2.45 5.85 -1.99 -0.10 115.31 122.40 3i8s h LEU 198 Ca -0.46 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3i8s h LEU 198 Cb 1.32 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 3i8s h LEU 198 CO 0.58 -0.07 0.49 0.50 -0.34 0.00 0.00 178.44 179.60 3i8s h LYS 199 N 0.28 1.18 -0.05 1.25 3.64 -1.91 -0.31 116.57 120.65 3i8s h LYS 199 Ca 0.48 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.57 3i8s h LYS 199 Cb 0.88 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3i8s h LYS 199 CO -0.56 0.85 -0.69 1.96 -2.27 0.00 0.00 179.45 178.75 3i8s h GLN 200 N 1.18 0.22 -0.45 1.90 4.20 -1.28 -1.84 115.11 119.05 3i8s h GLN 200 Ca 0.30 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3i8s h GLN 200 Cb -0.00 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3i8s h GLN 200 CO -0.05 0.82 -0.19 0.00 -0.67 0.00 0.00 178.83 178.74 3i8s h ARG 201 N 0.15 0.89 -0.25 1.46 3.08 -0.61 -0.28 114.38 118.82 3i8s h ARG 201 Ca -0.02 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.57 3i8s h ARG 201 Cb 1.23 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3i8s h ARG 201 CO 0.11 1.00 -0.30 0.00 -1.07 0.00 0.00 179.97 179.70 3i8s h ARG 202 N 0.77 0.51 -0.10 0.04 3.08 -1.00 -0.29 114.38 117.40 3i8s h ARG 202 Ca 0.11 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3i8s h ARG 202 Cb 0.73 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3i8s h ARG 202 CO 0.06 0.76 0.03 2.35 -1.07 0.00 0.00 179.97 182.10 3i8s h TRP 203 N 0.45 0.16 -0.63 3.04 7.01 -1.13 -1.76 115.95 123.08 3i8s h TRP 203 Ca 0.06 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.15 3i8s h TRP 203 Cb 0.75 -0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.68 3i8s h TRP 203 CO 0.03 0.28 0.21 -0.07 -2.79 0.00 0.00 178.44 176.10 3i8s h LEU 204 N -0.02 0.17 -0.26 0.65 3.38 -0.88 0.02 115.31 118.37 3i8s h LEU 204 Ca 0.03 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3i8s h LEU 204 Cb 0.20 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3i8s h LEU 204 CO -0.00 0.09 -0.12 1.23 0.09 0.00 0.00 178.44 179.72 3i8s h GLY 205 N 0.37 0.09 1.00 0.83 0.00 -0.85 -0.38 103.07 104.13 3i8s h GLY 205 Ca 0.33 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 3i8s h GLY 205 CO -0.35 -0.14 0.39 1.41 0.00 0.00 0.00 176.54 177.85 3i8s h LEU 206 N -0.09 0.77 -0.72 3.11 3.38 -0.93 -1.58 115.31 119.24 3i8s h LEU 206 Ca 0.14 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3i8s h LEU 206 Cb 0.30 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3i8s h LEU 206 CO -0.32 0.60 0.37 1.56 0.09 0.00 0.00 178.44 180.75 3i8s h GLN 207 N 0.87 0.62 -0.37 1.13 1.08 -0.64 0.34 115.11 118.13 3i8s h GLN 207 Ca 0.23 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 3i8s h GLN 207 Cb -0.03 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 3i8s h GLN 207 CO -0.04 0.41 0.06 0.52 -0.95 0.00 0.00 178.83 178.83 3i8s h MET 208 N 0.63 0.61 -0.32 1.46 2.86 -0.77 0.15 114.93 119.57 3i8s h MET 208 Ca 0.35 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3i8s h MET 208 Cb 0.35 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3i8s h MET 208 CO -0.26 0.67 0.03 -0.07 1.06 0.00 0.00 176.91 178.35 3i8s h LEU 209 N 0.46 0.43 -0.25 1.22 3.38 -0.97 -2.25 115.31 117.32 3i8s h LEU 209 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i8s h LEU 209 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i8s h LEU 209 CO 0.01 0.47 0.00 1.21 0.09 0.00 0.00 178.44 180.22 3i8s n GLU 210 N -4.32 0.16 0.00 1.13 2.13 0.08 -4.27 120.64 115.55 3i8s n GLU 210 Ca 0.01 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3i8s n GLU 210 Cb 0.21 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.18 3i8s n GLU 210 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i8s n GLY 211 N 0.68 1.10 3.60 8.31 0.00 -0.82 -4.88 105.19 113.18 3i8s n GLY 211 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3i8s n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i8s s ASP 212 N -2.00 5.81 0.03 1.61 3.68 -0.02 -4.84 116.67 120.94 3i8s s ASP 212 Ca 0.00 1.33 -0.14 0.00 2.13 0.00 0.00 52.55 55.87 3i8s s ASP 212 Cb 0.00 -2.52 -0.35 0.00 -1.45 0.00 0.00 42.92 38.60 3i8s s ASP 212 CO 0.00 -1.77 1.00 0.40 0.13 0.00 0.00 175.17 174.92 3i8s h ILE 213 N 6.86 1.29 -0.16 4.11 5.03 -1.83 -3.34 117.51 129.46 3i8s h ILE 213 Ca -0.34 -2.73 -0.07 0.00 -0.12 0.00 0.00 64.86 61.60 3i8s h ILE 213 Cb 1.18 3.02 -0.01 0.00 -3.03 0.00 0.00 36.82 37.97 3i8s h ILE 213 CO 1.03 0.82 -0.20 1.88 -0.68 0.00 0.00 178.15 181.00 3i8s h TYR 214 N 0.14 0.29 0.00 1.37 -1.99 -1.89 -2.61 116.97 112.28 3i8s h TYR 214 Ca -0.25 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.44 3i8s h TYR 214 Cb 2.15 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.80 3i8s h TYR 214 CO 0.12 0.46 0.00 0.66 -0.00 0.00 0.00 178.16 179.40 3i8s h SER 215 N 0.25 0.00 0.27 3.88 4.64 -1.94 -1.66 113.55 118.99 3i8s h SER 215 Ca 0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3i8s h SER 215 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3i8s h SER 215 CO 0.03 0.00 -0.12 0.03 -0.87 0.00 0.00 176.83 175.90 3i8s h ARG 216 N 0.00 0.00 0.00 4.77 3.08 -1.59 -2.20 114.38 118.44 3i8s h ARG 216 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i8s h ARG 216 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3i8s h ARG 216 CO 0.00 0.12 -0.06 0.00 -1.07 0.00 0.00 179.97 178.97 3i8s h ALA 217 N 1.88 1.57 0.00 0.04 0.00 -1.45 -2.68 119.26 118.62 3i8s h ALA 217 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i8s h ALA 217 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i8s h ALA 217 CO 0.02 0.07 -1.37 0.66 0.00 0.00 0.00 179.25 178.63 3i8s n TYR 218 N -3.98 0.20 1.24 0.00 4.02 -0.84 -4.52 117.16 113.28 3i8s n TYR 218 Ca -0.03 0.06 0.12 0.00 -0.01 0.00 0.00 57.90 58.04 3i8s n TYR 218 Cb 0.15 -0.44 0.40 0.00 -0.02 0.00 0.00 39.34 39.42 3i8s n TYR 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8s n ALA 219 N -1.97 2.53 -0.82 -0.72 0.00 -1.01 -4.67 120.51 113.85 3i8s n ALA 219 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3i8s n ALA 219 Cb 0.48 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3i8s n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8s n GLY 220 N 1.20 3.88 0.22 0.00 0.00 -1.25 -1.97 105.19 107.26 3i8s n GLY 220 Ca 0.17 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.42 3i8s n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i8s h GLU 221 N 0.00 0.00 -0.82 1.61 5.08 -1.95 -3.25 114.58 115.25 3i8s h GLU 221 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3i8s h GLU 221 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3i8s h GLU 221 CO 0.00 0.25 0.54 0.00 -1.00 0.00 0.00 179.01 178.80 3i8s h ALA 222 N 1.75 1.80 -1.06 3.43 0.00 -1.53 -2.22 119.26 121.43 3i8s h ALA 222 Ca -0.00 -0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.23 3i8s h ALA 222 Cb 0.71 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 3i8s h ALA 222 CO 0.03 0.01 0.63 0.77 0.00 0.00 0.00 179.25 180.69 3i8s h SER 223 N 0.70 0.48 -0.02 0.00 0.02 -1.73 0.37 113.55 113.37 3i8s h SER 223 Ca 0.39 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3i8s h SER 223 Cb 0.55 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3i8s h SER 223 CO -0.16 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.43 3i8s n GLN 224 N -4.93 1.34 -0.13 3.45 10.64 -0.84 -3.01 117.38 123.90 3i8s n GLN 224 Ca 0.31 -0.49 0.09 0.00 -1.83 0.00 0.00 57.00 55.08 3i8s n GLN 224 Cb 1.02 -1.46 0.15 0.00 -0.86 0.00 0.00 30.24 29.09 3i8s n GLN 224 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3i8s n HIS 225 N -0.39 0.35 -0.09 2.61 8.25 0.13 -4.66 115.22 121.41 3i8s n HIS 225 Ca 0.20 -0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3i8s n HIS 225 Cb 0.23 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3i8s n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3i8s h LEU 226 N 3.42 0.65 -0.24 2.41 5.85 -1.45 -2.95 115.31 123.01 3i8s h LEU 226 Ca 0.00 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.32 3i8s h LEU 226 Cb 0.81 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3i8s h LEU 226 CO 0.00 0.95 -0.02 0.44 -0.34 0.00 0.00 178.44 179.47 3i8s h ASP 227 N 0.35 -0.13 -0.07 1.25 3.32 -1.83 -1.25 116.42 118.07 3i8s h ASP 227 Ca 0.05 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3i8s h ASP 227 Cb 0.74 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3i8s h ASP 227 CO 0.05 -0.03 -0.31 0.00 -1.72 0.00 0.00 179.24 177.22 3i8s h ALA 228 N 1.21 0.97 -0.23 3.45 0.00 -1.89 -1.73 119.26 121.04 3i8s h ALA 228 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i8s h ALA 228 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i8s h ALA 228 CO -0.20 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.78 3i8s h ALA 229 N 1.20 0.30 -0.73 0.00 0.00 -1.30 -1.82 119.26 116.91 3i8s h ALA 229 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i8s h ALA 229 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3i8s h ALA 229 CO 0.06 -0.17 0.39 -0.07 0.00 0.00 0.00 179.25 179.46 3i8s h LEU 230 N 0.27 0.92 -0.48 0.00 3.38 -1.11 -1.33 115.31 116.95 3i8s h LEU 230 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i8s h LEU 230 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3i8s h LEU 230 CO -0.01 0.76 0.32 0.00 0.09 0.00 0.00 178.44 179.59 3i8s h ALA 231 N 1.20 0.61 -0.24 1.53 0.00 -1.18 0.15 119.26 121.33 3i8s h ALA 231 Ca 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i8s h ALA 231 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i8s h ALA 231 CO -0.04 0.05 0.13 0.00 0.00 0.00 0.00 179.25 179.39 3i8s h ARG 232 N 0.64 0.26 -0.27 0.00 3.08 -1.09 -2.81 114.38 114.19 3i8s h ARG 232 Ca 0.18 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 3i8s h ARG 232 Cb -0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3i8s h ARG 232 CO -0.04 0.17 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.89 3i8s h LEU 233 N 0.27 0.41 -1.18 3.04 3.38 -0.87 -1.73 115.31 118.63 3i8s h LEU 233 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i8s h LEU 233 Cb 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i8s h LEU 233 CO -0.05 0.53 -0.07 0.03 0.09 0.00 0.00 178.44 178.97 3i8s h ARG 234 N 0.41 0.00 0.00 1.13 3.08 -0.73 -0.46 114.38 117.81 3i8s h ARG 234 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3i8s h ARG 234 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3i8s h ARG 234 CO 0.02 0.07 -0.31 0.09 -1.07 0.00 0.00 179.97 178.76 3i8s n ASN 235 N -3.17 0.34 -0.07 7.04 3.02 -0.67 -4.24 115.26 117.51 3i8s n ASN 235 Ca 0.01 0.07 -0.05 0.00 -0.03 0.00 0.00 54.58 54.58 3i8s n ASN 235 Cb 0.37 -0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 3i8s n ASN 235 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i8s n GLU 236 N -1.57 1.30 -3.89 3.52 1.02 -0.58 -5.05 120.64 115.38 3i8s n GLU 236 Ca 0.06 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 3i8s n GLU 236 Cb 0.35 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 3i8s n GLU 236 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8s s MET 237 N -2.50 1.14 -0.16 3.49 0.23 -0.28 -5.10 119.30 116.12 3i8s s MET 237 Ca -0.08 -1.07 -0.23 0.00 -1.03 0.00 0.00 55.69 53.29 3i8s s MET 237 Cb 0.06 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 3i8s s MET 237 CO 0.65 -0.43 0.70 0.16 -2.03 0.00 0.00 175.02 174.08 3i8s s ASP 238 N -2.93 6.83 -0.73 -1.18 -4.77 -1.26 -4.35 116.67 108.28 3i8s s ASP 238 Ca 0.13 1.01 -0.03 0.00 -3.30 0.00 0.00 52.55 50.36 3i8s s ASP 238 Cb 0.03 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 3i8s s ASP 238 CO -0.03 -0.27 0.66 -0.67 0.70 0.00 0.00 175.17 175.56 3i8s n ASP 239 N 4.82 -6.97 -0.33 2.11 -0.08 -1.26 -4.71 116.55 110.13 3i8s n ASP 239 Ca 0.00 -0.25 0.17 0.00 -1.51 0.00 0.00 54.79 53.20 3i8s n ASP 239 Cb 0.50 -4.25 0.37 0.00 2.34 0.00 0.00 41.12 40.08 3i8s n ASP 239 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i8s h PRO 240 N 0.46 0.46 -0.88 -0.67 0.13 -1.86 -1.13 132.00 128.52 3i8s h PRO 240 Ca -0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3i8s h PRO 240 Cb 1.12 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 3i8s h PRO 240 CO 0.31 0.31 0.56 0.00 -0.23 0.00 0.00 178.00 178.94 3i8s h ALA 241 N 1.74 1.33 -0.17 -0.56 0.00 -1.90 -2.08 119.26 117.62 3i8s h ALA 241 Ca 0.62 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 3i8s h ALA 241 Cb 1.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3i8s h ALA 241 CO -0.51 0.60 -0.48 1.25 0.00 0.00 0.00 179.25 180.11 3i8s h LEU 242 N 1.20 0.47 -1.10 0.00 5.85 -1.59 -1.80 115.31 118.33 3i8s h LEU 242 Ca 0.32 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i8s h LEU 242 Cb -0.10 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3i8s h LEU 242 CO -0.06 0.88 0.57 0.45 -0.34 0.00 0.00 178.44 179.93 3i8s h HIS 243 N 0.35 1.13 0.08 1.25 3.86 -0.68 0.25 115.15 121.39 3i8s h HIS 243 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3i8s h HIS 243 Cb 0.97 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3i8s h HIS 243 CO 0.03 0.72 -0.04 0.82 0.86 0.00 0.00 177.93 180.33 3i8s h ILE 244 N 1.21 1.13 -0.83 2.45 2.04 -1.06 -1.03 117.51 121.40 3i8s h ILE 244 Ca 0.32 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3i8s h ILE 244 Cb -0.11 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3i8s h ILE 244 CO -0.07 0.19 0.51 0.00 0.00 0.00 0.00 178.15 178.79 3i8s h ALA 245 N 0.42 1.14 -0.42 1.87 0.00 -1.20 -2.32 119.26 118.76 3i8s h ALA 245 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i8s h ALA 245 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i8s h ALA 245 CO 0.02 0.25 -0.14 -0.44 0.00 0.00 0.00 179.25 178.94 3i8s h ASP 246 N 0.94 0.86 -0.68 0.00 3.32 -0.42 -0.49 116.42 119.94 3i8s h ASP 246 Ca 0.36 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3i8s h ASP 246 Cb 0.17 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3i8s h ASP 246 CO -0.17 1.04 0.26 0.00 -1.72 0.00 0.00 179.24 178.65 3i8s h ALA 247 N 0.84 1.13 -0.28 3.45 0.00 -1.01 0.16 119.26 123.56 3i8s h ALA 247 Ca 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3i8s h ALA 247 Cb 0.69 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i8s h ALA 247 CO 0.05 0.62 -0.13 0.00 0.00 0.00 0.00 179.25 179.79 3i8s h ARG 248 N 1.03 0.58 -0.41 0.00 3.08 -1.22 -1.19 114.38 116.25 3i8s h ARG 248 Ca 0.23 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 60.11 3i8s h ARG 248 Cb 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3i8s h ARG 248 CO -0.02 0.82 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.75 3i8s h TYR 249 N 0.32 -0.09 -0.34 3.04 3.20 -0.85 -2.14 116.97 120.11 3i8s h TYR 249 Ca 0.06 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.03 3i8s h TYR 249 Cb 0.64 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 3i8s h TYR 249 CO 0.06 -0.12 -0.10 0.37 -1.64 0.00 0.00 178.16 176.73 3i8s h GLN 250 N 0.07 -0.02 0.09 1.82 4.15 -0.51 0.95 115.11 121.66 3i8s h GLN 250 Ca 0.20 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.64 3i8s h GLN 250 Cb 0.30 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3i8s h GLN 250 CO -0.37 -0.01 -0.22 0.00 -1.93 0.00 0.00 178.83 176.29 3i8s h ILE 252 N -0.40 1.19 -0.71 0.00 2.04 -1.15 -1.75 117.51 116.73 3i8s h ILE 252 Ca 0.03 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.35 3i8s h ILE 252 Cb 0.44 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3i8s h ILE 252 CO -0.14 0.21 0.45 0.00 0.00 0.00 0.00 178.15 178.67 3i8s h ALA 253 N 1.03 0.92 -0.58 1.87 0.00 -0.71 -0.04 119.26 121.76 3i8s h ALA 253 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i8s h ALA 253 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i8s h ALA 253 CO -0.02 0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.68 3i8s h ALA 254 N 1.29 0.75 -0.13 0.00 0.00 -0.68 0.17 119.26 120.66 3i8s h ALA 254 Ca 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i8s h ALA 254 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3i8s h ALA 254 CO -0.10 0.40 0.07 0.82 0.00 0.00 0.00 179.25 180.44 3i8s h ILE 255 N 0.81 1.12 -0.78 0.00 2.04 -0.87 -0.76 117.51 119.05 3i8s h ILE 255 Ca 0.19 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3i8s h ILE 255 Cb 0.26 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3i8s h ILE 255 CO -0.01 0.11 0.50 0.00 0.00 0.00 0.00 178.15 178.75 3i8s h ASP 257 N 1.07 0.02 0.30 0.00 1.82 -0.44 -1.69 116.42 117.49 3i8s h ASP 257 Ca 0.28 0.11 -0.33 0.00 -0.39 0.00 0.00 57.03 56.70 3i8s h ASP 257 Cb -0.09 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.06 3i8s h ASP 257 CO -0.06 0.02 -1.68 0.58 -1.61 0.00 0.00 179.24 176.49 3i8s h VAL 258 N 0.27 1.00 0.00 2.25 2.07 -0.75 -3.40 116.25 117.69 3i8s h VAL 258 Ca 0.30 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3i8s h VAL 258 Cb 0.44 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3i8s h VAL 258 CO -0.38 0.83 -1.12 1.33 0.02 0.00 0.00 177.57 178.25 3i8s n VAL 259 N -3.52 0.00 -4.28 2.57 0.24 0.83 -4.94 118.33 109.23 3i8s n VAL 259 Ca -0.22 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.34 61.79 3i8s n VAL 259 Cb 1.06 0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 34.14 3i8s n VAL 259 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i8s s SER 260 N -3.22 2.24 0.00 -1.34 0.15 -0.64 -0.64 113.70 110.25 3i8s s SER 260 Ca 0.06 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3i8s s SER 260 Cb 0.16 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 3i8s s SER 260 CO 0.87 0.02 0.00 -3.20 1.20 0.00 0.00 173.24 172.13