#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 -0.14 -6.15 3.17 3.64 -1.96 -3.43 116.57 111.70 3i8s h LYS 2 Ca 0.00 0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 58.84 3i8s h LYS 2 Cb 0.00 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3i8s h LYS 2 CO 0.00 0.20 0.13 0.15 -2.27 0.00 0.00 179.45 177.66 3i8s s LYS 3 N -4.72 4.46 0.03 1.90 1.02 -1.26 -1.36 119.74 119.81 3i8s s LYS 3 Ca -0.15 0.98 0.08 0.00 0.02 0.00 0.00 55.97 56.90 3i8s s LYS 3 Cb 0.03 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3i8s s LYS 3 CO 0.62 0.12 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.44 3i8s s LEU 4 N 0.55 2.13 -0.16 3.17 1.02 -0.60 -4.93 118.68 119.85 3i8s s LEU 4 Ca 0.39 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 3i8s s LEU 4 Cb -0.19 -1.12 -0.02 0.00 0.02 0.00 0.00 46.19 44.88 3i8s s LEU 4 CO 0.20 0.23 -0.06 -0.89 0.02 0.00 0.00 176.35 175.84 3i8s s THR 5 N -0.72 3.58 -0.07 5.49 2.01 -1.26 -1.24 115.64 123.42 3i8s s THR 5 Ca 0.09 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.66 3i8s s THR 5 Cb -0.09 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.87 3i8s s THR 5 CO 0.01 0.49 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 3i8s s ILE 6 N 0.51 1.56 -0.09 1.82 1.01 0.01 -0.66 121.20 125.37 3i8s s ILE 6 Ca -0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 3i8s s ILE 6 Cb -0.15 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3i8s s ILE 6 CO 0.03 0.45 0.42 -0.83 0.00 0.00 0.00 174.94 175.01 3i8s s GLY 7 N 0.41 2.38 -0.28 6.18 0.00 -0.89 -0.73 107.32 114.39 3i8s s GLY 7 Ca -0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.23 3i8s s GLY 7 CO 0.05 0.54 0.16 -2.27 0.00 0.00 0.00 173.10 171.59 3i8s s LEU 8 N 0.14 3.90 -0.03 0.66 2.96 0.70 -1.08 118.68 125.94 3i8s s LEU 8 Ca 0.23 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3i8s s LEU 8 Cb -0.15 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.48 3i8s s LEU 8 CO 0.10 -0.06 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.49 3i8s s ILE 9 N 1.72 0.63 0.13 6.68 1.10 -0.50 -0.96 121.20 130.00 3i8s s ILE 9 Ca 0.07 -0.26 -0.24 0.00 -0.51 0.00 0.00 60.65 59.71 3i8s s ILE 9 Cb -0.16 -0.58 0.08 0.00 0.15 0.00 0.00 42.46 41.95 3i8s s ILE 9 CO 0.09 0.21 1.10 -0.83 -2.11 0.00 0.00 174.94 173.40 3i8s s GLY 10 N 0.34 0.04 0.77 1.50 0.00 -1.26 -1.43 107.32 107.27 3i8s s GLY 10 Ca -0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 3i8s s GLY 10 CO 0.00 2.99 1.12 -1.31 0.00 0.00 0.00 173.10 175.90 3i8s s ASN 11 N -3.47 4.31 0.62 1.64 0.02 -1.20 -1.34 114.94 115.51 3i8s s ASN 11 Ca 0.23 1.99 -0.19 0.00 -1.02 0.00 0.00 52.86 53.87 3i8s s ASN 11 Cb -0.02 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 3i8s s ASN 11 CO 0.04 -2.17 1.26 -2.65 0.02 0.00 0.00 177.10 173.60 3i8s n PRO 12 N -3.32 1.23 -2.89 -0.60 -0.02 -1.26 -2.60 135.00 125.54 3i8s n PRO 12 Ca 0.10 0.47 -0.21 0.00 -2.02 0.00 0.00 63.50 61.85 3i8s n PRO 12 Cb 0.52 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3i8s n PRO 12 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i8s n ASN 13 N -1.50 -5.37 -0.77 2.55 3.02 -1.26 -4.85 115.26 107.08 3i8s n ASN 13 Ca 0.14 -0.19 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 3i8s n ASN 13 Cb 0.47 -4.40 0.27 0.00 -0.61 0.00 0.00 39.78 35.51 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 -2.29 2.41 0.00 6.41 3.41 -1.07 -4.93 113.62 117.55 3i8s n SER 14 Ca -0.13 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3i8s n SER 14 Cb 0.62 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 1.28 0.60 0.30 5.00 0.00 -1.26 -4.65 105.19 106.46 3i8s n GLY 15 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 1.21 0.84 -0.66 1.61 3.64 -1.92 -2.41 116.57 118.88 3i8s h LYS 16 Ca 0.00 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3i8s h LYS 16 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3i8s h LYS 16 CO 0.00 0.75 0.22 1.15 -2.27 0.00 0.00 179.45 179.29 3i8s h THR 17 N 0.81 1.25 -0.64 1.00 2.02 -1.98 0.28 112.91 115.65 3i8s h THR 17 Ca 0.18 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3i8s h THR 17 Cb 0.28 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3i8s h THR 17 CO -0.00 0.33 0.43 0.74 0.37 0.00 0.00 175.52 177.38 3i8s h THR 18 N 0.96 1.16 -0.27 3.16 2.02 -1.89 0.89 112.91 118.94 3i8s h THR 18 Ca 0.21 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3i8s h THR 18 Cb 0.28 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3i8s h THR 18 CO -0.01 0.16 -0.04 0.25 0.37 0.00 0.00 175.52 176.25 3i8s h LEU 19 N 0.87 0.50 -0.45 2.58 5.85 -1.14 -0.53 115.31 122.99 3i8s h LEU 19 Ca 0.24 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3i8s h LEU 19 Cb -0.10 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 3i8s h LEU 19 CO -0.05 0.72 -0.08 0.15 -0.34 0.00 0.00 178.44 178.84 3i8s h PHE 20 N 0.26 -0.18 -0.66 1.25 3.57 -0.32 -0.86 116.94 120.00 3i8s h PHE 20 Ca 0.07 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3i8s h PHE 20 Cb 0.49 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 3i8s h PHE 20 CO 0.04 -0.17 0.10 -0.91 -2.23 0.00 0.00 178.31 175.15 3i8s h ASN 21 N 0.03 1.06 -0.56 0.41 2.35 -0.68 -0.82 115.58 117.38 3i8s h ASN 21 Ca 0.22 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3i8s h ASN 21 Cb 0.33 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3i8s h ASN 21 CO -0.44 1.06 0.23 1.56 -1.65 0.00 0.00 177.43 178.19 3i8s h GLN 22 N 1.02 0.87 0.20 0.81 4.20 -0.50 -0.55 115.11 121.16 3i8s h GLN 22 Ca 0.20 -0.14 -0.30 0.00 0.06 0.00 0.00 58.65 58.47 3i8s h GLN 22 Cb 0.45 -0.15 0.03 0.00 0.30 0.00 0.00 27.48 28.11 3i8s h GLN 22 CO 0.01 0.72 -1.29 -0.07 -0.67 0.00 0.00 178.83 177.53 3i8s h LEU 23 N 0.85 0.80 0.00 1.46 3.38 -0.87 -3.37 115.31 117.56 3i8s h LEU 23 Ca 0.20 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3i8s h LEU 23 Cb 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3i8s h LEU 23 CO -0.02 1.63 -1.21 0.35 0.09 0.00 0.00 178.44 179.27 3i8s n THR 24 N -3.82 0.24 0.00 0.22 -2.24 -0.34 -4.65 114.28 103.70 3i8s n THR 24 Ca -0.15 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3i8s n THR 24 Cb 1.02 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.30 3.06 0.20 3.38 0.00 -0.22 -1.23 105.19 111.68 3i8s n GLY 25 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 3.70 0.80 -3.69 1.61 3.41 -1.26 -4.53 113.62 113.66 3i8s n SER 26 Ca 0.00 -0.78 -0.41 0.00 -0.26 0.00 0.00 58.87 57.41 3i8s n SER 26 Cb 0.00 0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.74 3.60 -3.89 4.33 1.74 -0.36 -4.87 116.66 116.46 3i8s n ARG 27 Ca 0.14 -3.10 -0.10 0.00 -0.77 0.00 0.00 57.85 54.02 3i8s n ARG 27 Cb 0.31 -2.96 -0.09 0.00 -1.02 0.00 0.00 32.46 28.71 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 1.09 0.68 0.04 5.56 -2.07 -1.26 -0.83 119.66 122.87 3i8s s GLN 28 Ca 0.48 -0.77 0.03 0.00 -1.82 0.00 0.00 55.36 53.27 3i8s s GLN 28 Cb 0.13 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 3i8s s GLN 28 CO -0.05 -0.19 -0.09 1.03 -1.32 0.00 0.00 175.29 174.68 3i8s s ARG 29 N -2.91 0.59 -0.13 9.60 0.52 0.08 -4.99 118.95 121.71 3i8s s ARG 29 Ca -0.02 -0.67 -0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3i8s s ARG 29 Cb 0.01 -0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.01 3i8s s ARG 29 CO -0.06 0.10 -0.13 0.08 0.02 0.00 0.00 175.30 175.31 3i8s s VAL 30 N -1.07 2.99 0.00 3.52 1.01 -1.26 -2.08 120.40 123.50 3i8s s VAL 30 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3i8s s VAL 30 Cb -0.08 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3i8s s VAL 30 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3i8s n GLY 31 N 3.62 5.38 3.04 4.51 0.00 0.30 -4.99 105.19 117.05 3i8s n GLY 31 Ca -0.18 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 0.39 1.61 4.22 -1.26 -0.85 114.94 120.36 3i8s s ASN 32 Ca 0.00 -0.67 -0.26 0.00 -2.14 0.00 0.00 52.86 49.79 3i8s s ASN 32 Cb 0.00 0.15 -0.09 0.00 1.28 0.00 0.00 41.25 42.60 3i8s s ASN 32 CO 0.00 -0.43 1.22 0.26 -2.04 0.00 0.00 177.10 176.11 3i8s s TRP 33 N -2.45 3.01 -0.44 1.54 0.52 -0.61 -4.69 118.94 115.82 3i8s s TRP 33 Ca -0.07 1.51 -0.42 0.00 0.02 0.00 0.00 56.10 57.14 3i8s s TRP 33 Cb -0.03 -3.50 -0.17 0.00 -1.15 0.00 0.00 33.47 28.62 3i8s s TRP 33 CO -0.04 -1.57 2.00 0.00 0.02 0.00 0.00 176.95 177.36 3i8s n ALA 34 N 0.21 0.05 -0.45 0.98 0.00 -1.26 -1.43 120.51 118.61 3i8s n ALA 34 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3i8s n ALA 34 Cb 0.45 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 6.22 2.01 3.63 0.00 0.00 -1.26 -5.00 105.19 110.79 3i8s n GLY 35 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.36 3.01 -1.43 1.61 -7.23 -0.52 -5.03 120.40 107.45 3i8s s VAL 36 Ca 0.00 -1.96 0.30 0.00 -1.81 0.00 0.00 61.98 58.51 3i8s s VAL 36 Cb 0.00 -2.78 0.50 0.00 0.56 0.00 0.00 36.38 34.66 3i8s s VAL 36 CO 0.00 -0.29 2.03 0.35 -0.31 0.00 0.00 175.10 176.88 3i8s n THR 37 N -0.92 0.00 -2.03 5.32 -2.24 -1.26 -4.31 114.28 108.84 3i8s n THR 37 Ca -0.05 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 3i8s n THR 37 Cb 0.60 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3i8s n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i8s s VAL 38 N -2.58 3.06 0.35 2.28 1.01 -1.26 -4.92 120.40 118.33 3i8s s VAL 38 Ca 0.28 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.65 3i8s s VAL 38 Cb 0.20 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 3i8s s VAL 38 CO 0.47 0.03 1.25 -0.70 0.00 0.00 0.00 175.10 176.14 3i8s s GLU 39 N 1.74 4.30 -0.25 2.72 2.12 -1.26 -1.58 118.70 126.49 3i8s s GLU 39 Ca 0.69 2.07 0.02 0.00 0.36 0.00 0.00 54.97 58.11 3i8s s GLU 39 Cb -0.39 -2.98 0.06 0.00 0.26 0.00 0.00 34.13 31.08 3i8s s GLU 39 CO 0.31 -0.19 -0.06 0.50 -0.54 0.00 0.00 175.26 175.28 3i8s s ARG 40 N -1.89 1.80 -0.15 4.30 3.52 -0.03 -4.68 118.95 121.83 3i8s s ARG 40 Ca 0.51 -1.14 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 3i8s s ARG 40 Cb -0.37 -2.70 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 3i8s s ARG 40 CO 0.48 -0.61 -0.02 0.15 -0.81 0.00 0.00 175.30 174.49 3i8s s LYS 41 N 1.28 3.60 0.03 5.12 1.02 -1.26 -0.54 119.74 128.99 3i8s s LYS 41 Ca -0.06 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3i8s s LYS 41 Cb -0.19 -2.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 3i8s s LYS 41 CO -0.06 0.32 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.62 3i8s s GLU 42 N 0.15 0.49 0.31 1.68 2.12 -0.88 -1.18 118.70 121.39 3i8s s GLU 42 Ca -0.00 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.65 3i8s s GLU 42 Cb -0.13 -0.32 0.01 0.00 0.26 0.00 0.00 34.13 33.94 3i8s s GLU 42 CO 0.02 0.07 0.54 0.20 -0.54 0.00 0.00 175.26 175.55 3i8s s GLY 43 N -1.13 0.83 0.04 -1.50 0.00 -0.40 -0.74 107.32 104.43 3i8s s GLY 43 Ca -0.06 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.66 3i8s s GLY 43 CO 0.00 -0.69 -0.22 1.20 0.00 0.00 0.00 173.10 173.40 3i8s s GLN 44 N -3.35 1.46 0.25 2.90 -1.52 -0.01 -0.29 119.66 119.10 3i8s s GLN 44 Ca 0.24 -0.97 -0.15 0.00 -1.95 0.00 0.00 55.36 52.53 3i8s s GLN 44 Cb -0.02 -1.58 0.00 0.00 -0.22 0.00 0.00 33.01 31.19 3i8s s GLN 44 CO 0.13 0.41 0.53 -0.59 -0.25 0.00 0.00 175.29 175.52 3i8s s PHE 45 N -0.80 0.23 0.16 0.91 -0.71 -0.66 -4.52 117.98 112.59 3i8s s PHE 45 Ca 0.08 -0.62 0.10 0.00 -1.04 0.00 0.00 56.93 55.46 3i8s s PHE 45 Cb -0.09 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 3i8s s PHE 45 CO 0.02 -1.05 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.10 3i8s s SER 46 N -2.99 3.62 0.38 1.98 1.04 -1.26 0.30 113.70 116.77 3i8s s SER 46 Ca 0.20 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.90 3i8s s SER 46 Cb -0.02 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.73 3i8s s SER 46 CO 0.08 0.14 0.04 0.35 0.98 0.00 0.00 173.24 174.84 3i8s n THR 47 N 0.49 0.00 -0.36 2.02 -2.24 -0.25 -4.96 114.28 108.99 3i8s n THR 47 Ca -0.14 -1.76 0.06 0.00 -2.27 0.00 0.00 64.05 59.94 3i8s n THR 47 Cb 0.54 0.28 0.23 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.11 0.94 0.00 4.28 2.02 -2.01 -3.27 112.91 115.98 3i8s h THR 48 Ca -0.31 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3i8s h THR 48 Cb 0.95 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3i8s h THR 48 CO 0.50 0.18 -1.15 0.47 0.37 0.00 0.00 175.52 175.90 3i8s n ASP 49 N -4.61 1.30 -4.17 4.18 8.00 -1.26 -5.06 116.55 114.93 3i8s n ASP 49 Ca 0.18 -0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 3i8s n ASP 49 Cb 0.33 1.33 -0.11 0.00 -0.02 0.00 0.00 41.12 42.65 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 -2.61 0.99 -0.27 1.24 3.76 -1.23 -4.66 115.29 112.51 3i8s s HIS 50 Ca -0.00 -0.70 -0.08 0.00 -0.15 0.00 0.00 55.06 54.13 3i8s s HIS 50 Cb 0.09 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 3i8s s HIS 50 CO 0.55 -0.04 0.08 -1.14 -0.85 0.00 0.00 174.74 173.35 3i8s s GLN 51 N -2.94 3.45 -0.12 1.40 2.00 -0.46 -1.09 119.66 121.90 3i8s s GLN 51 Ca 0.06 -0.62 -0.03 0.00 -2.00 0.00 0.00 55.36 52.77 3i8s s GLN 51 Cb -0.02 -3.37 -0.03 0.00 0.80 0.00 0.00 33.01 30.39 3i8s s GLN 51 CO -0.01 -0.29 -0.02 0.08 -0.50 0.00 0.00 175.29 174.54 3i8s s VAL 52 N 1.58 4.08 -0.21 1.34 1.01 0.15 -1.56 120.40 126.79 3i8s s VAL 52 Ca 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3i8s s VAL 52 Cb -0.16 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3i8s s VAL 52 CO 0.04 0.55 -0.00 0.42 0.00 0.00 0.00 175.10 176.10 3i8s s THR 53 N -0.26 3.89 -0.22 3.92 -4.23 -0.38 -1.66 115.64 116.71 3i8s s THR 53 Ca 0.05 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 3i8s s THR 53 Cb -0.12 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 3i8s s THR 53 CO 0.02 0.42 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.26 3i8s s LEU 54 N 1.10 2.87 -0.23 4.79 2.96 0.60 -0.81 118.68 129.96 3i8s s LEU 54 Ca 0.02 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3i8s s LEU 54 Cb -0.14 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3i8s s LEU 54 CO 0.01 -0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 174.39 3i8s s VAL 55 N 1.44 4.32 -0.36 1.68 1.01 0.09 -1.28 120.40 127.31 3i8s s VAL 55 Ca 0.05 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 3i8s s VAL 55 Cb -0.14 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.25 3i8s s VAL 55 CO -0.03 0.38 0.92 -0.62 0.00 0.00 0.00 175.10 175.74 3i8s s ASP 56 N 1.29 6.69 0.30 3.32 2.15 -0.32 -0.21 116.67 129.88 3i8s s ASP 56 Ca 0.05 0.62 -0.04 0.00 0.43 0.00 0.00 52.55 53.61 3i8s s ASP 56 Cb -0.15 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 3i8s s ASP 56 CO 0.03 -0.83 0.55 -0.76 -0.17 0.00 0.00 175.17 173.99 3i8s s LEU 57 N 3.42 4.05 0.42 -1.34 1.43 -0.14 -4.32 118.68 122.21 3i8s s LEU 57 Ca 0.38 0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 53.87 3i8s s LEU 57 Cb -0.12 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 3i8s s LEU 57 CO 0.18 -0.21 1.43 -2.84 0.23 0.00 0.00 176.35 175.14 3i8s s PRO 58 N -3.70 3.84 0.37 1.29 0.02 -1.26 -4.79 135.00 130.77 3i8s s PRO 58 Ca 0.43 2.44 -0.27 0.00 0.02 0.00 0.00 61.00 63.62 3i8s s PRO 58 Cb -0.11 -2.76 -0.09 0.00 0.02 0.00 0.00 34.50 31.56 3i8s s PRO 58 CO 0.31 -0.70 1.25 0.20 -0.33 0.00 0.00 177.00 177.74 3i8s s GLY 59 N -0.42 2.94 -0.07 0.52 0.00 -1.26 -4.75 107.32 104.29 3i8s s GLY 59 Ca 0.58 1.15 -0.21 0.00 0.00 0.00 0.00 44.72 46.24 3i8s s GLY 59 CO 0.58 1.73 0.48 -1.08 0.00 0.00 0.00 173.10 174.82 3i8s s THR 60 N -1.26 0.02 -0.51 0.90 -1.32 -0.45 -4.53 115.64 108.50 3i8s s THR 60 Ca 0.54 -0.20 0.24 0.00 -1.21 0.00 0.00 61.69 61.05 3i8s s THR 60 Cb -0.36 -0.77 0.28 0.00 -1.51 0.00 0.00 72.50 70.13 3i8s s THR 60 CO 0.47 -0.11 1.58 1.88 -2.21 0.00 0.00 174.62 176.23 3i8s h TYR 61 N 3.88 0.00 -1.88 9.09 0.05 -1.94 -3.19 116.97 122.98 3i8s h TYR 61 Ca -0.28 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 3i8s h TYR 61 Cb 1.16 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.70 3i8s h TYR 61 CO 0.45 0.00 0.27 0.45 -1.05 0.00 0.00 178.16 178.28 3i8s s SER 62 N -5.57 -0.60 0.00 3.88 0.15 -1.26 -3.79 113.70 106.51 3i8s s SER 62 Ca 0.07 0.80 0.29 0.00 0.70 0.00 0.00 55.95 57.82 3i8s s SER 62 Cb 0.08 0.69 1.32 0.00 -1.71 0.00 0.00 66.02 66.40 3i8s s SER 62 CO 0.67 -0.45 1.96 0.18 1.20 0.00 0.00 173.24 176.80 3i8s n LEU 63 N 1.31 0.00 -4.21 3.45 4.77 -1.26 -4.89 117.00 116.16 3i8s n LEU 63 Ca -0.16 0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 3i8s n LEU 63 Cb 0.57 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 3i8s n LEU 63 CO 0.17 -0.00 -0.40 0.42 -1.33 0.00 0.00 177.39 176.25 3i8s s THR 64 N -2.87 0.94 -0.05 -5.08 -4.23 -1.26 -4.77 115.64 98.31 3i8s s THR 64 Ca 0.18 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 3i8s s THR 64 Cb 0.19 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.27 3i8s s THR 64 CO 0.51 -0.81 -0.12 0.28 -0.54 0.00 0.00 174.62 173.94 3i8s s THR 65 N -3.47 1.10 -0.54 3.99 -1.32 -1.26 -5.01 115.64 109.13 3i8s s THR 65 Ca 0.14 -0.48 0.15 0.00 -1.21 0.00 0.00 61.69 60.29 3i8s s THR 65 Cb 0.04 -0.99 0.49 0.00 -1.51 0.00 0.00 72.50 70.52 3i8s s THR 65 CO -0.02 0.34 1.40 2.30 -2.21 0.00 0.00 174.62 176.43 3i8s n ILE 66 N 3.62 1.82 0.00 5.08 -5.35 -1.26 -2.02 119.36 121.24 3i8s n ILE 66 Ca -0.21 -1.48 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 3i8s n ILE 66 Cb 0.52 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3i8s n ILE 66 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3i8s n SER 67 N 0.07 0.00 -3.83 7.28 3.41 -1.26 -4.83 113.62 114.46 3i8s n SER 67 Ca 0.19 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.62 3i8s n SER 67 Cb 0.75 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.61 3i8s n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3i8s s SER 68 N 0.28 1.32 0.02 4.04 0.01 -1.26 -4.99 113.70 113.12 3i8s s SER 68 Ca 0.00 -1.59 -0.37 0.00 1.31 0.00 0.00 55.95 55.30 3i8s s SER 68 Cb 0.00 0.45 -0.19 0.00 0.21 0.00 0.00 66.02 66.49 3i8s s SER 68 CO 0.00 -0.94 0.96 1.67 0.41 0.00 0.00 173.24 175.34 3i8s n GLN 69 N -0.54 0.00 -3.00 12.44 7.27 -1.26 -4.92 117.38 127.38 3i8s n GLN 69 Ca 0.03 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.91 3i8s n GLN 69 Cb 0.64 -1.37 0.04 0.00 2.41 0.00 0.00 30.24 31.97 3i8s n GLN 69 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3i8s s THR 70 N -0.10 2.46 0.62 1.69 -4.23 -1.26 -5.09 115.64 109.72 3i8s s THR 70 Ca 0.84 -0.97 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 3i8s s THR 70 Cb -1.17 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 3i8s s THR 70 CO 0.54 0.00 1.31 -1.54 -0.54 0.00 0.00 174.62 174.39 3i8s n SER 71 N -2.13 2.25 -0.31 3.99 3.41 -1.26 -4.93 113.62 114.63 3i8s n SER 71 Ca 0.13 0.87 0.10 0.00 -0.26 0.00 0.00 58.87 59.71 3i8s n SER 71 Cb 0.61 -1.56 0.31 0.00 -0.26 0.00 0.00 64.21 63.31 3i8s n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i8s h LEU 72 N 0.80 0.78 -0.18 1.04 3.38 -1.99 -2.82 115.31 116.33 3i8s h LEU 72 Ca -0.51 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3i8s h LEU 72 Cb 1.33 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3i8s h LEU 72 CO 0.54 0.41 -0.20 0.44 0.09 0.00 0.00 178.44 179.71 3i8s h ASP 73 N 0.84 -0.64 -0.75 -0.43 3.32 -1.94 0.38 116.42 117.20 3i8s h ASP 73 Ca 0.47 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.62 3i8s h ASP 73 Cb 0.61 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 3i8s h ASP 73 CO -0.24 -0.25 0.42 -0.08 -1.72 0.00 0.00 179.24 177.37 3i8s h GLU 74 N -0.24 1.04 -0.60 3.56 4.81 -1.82 -1.73 114.58 119.59 3i8s h GLU 74 Ca 0.11 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3i8s h GLU 74 Cb 0.41 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3i8s h GLU 74 CO -0.31 0.76 0.04 1.96 -0.73 0.00 0.00 179.01 180.73 3i8s h GLN 75 N 1.03 1.01 -0.48 1.92 4.20 -1.11 -1.47 115.11 120.21 3i8s h GLN 75 Ca 0.26 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3i8s h GLN 75 Cb 0.02 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3i8s h GLN 75 CO -0.04 0.97 0.09 0.82 -0.67 0.00 0.00 178.83 180.00 3i8s h ILE 76 N 0.94 1.24 -0.28 2.54 2.04 -0.73 -0.79 117.51 122.47 3i8s h ILE 76 Ca 0.18 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3i8s h ILE 76 Cb 0.49 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3i8s h ILE 76 CO 0.02 0.31 0.06 0.00 0.00 0.00 0.00 178.15 178.54 3i8s h ALA 77 N 0.97 0.37 -0.04 1.87 0.00 -1.09 -1.31 119.26 120.03 3i8s h ALA 77 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i8s h ALA 77 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i8s h ALA 77 CO 0.01 0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.32 3i8s h HIS 79 N 0.04 1.07 -0.11 0.00 6.17 -1.01 0.03 115.15 121.35 3i8s h HIS 79 Ca 0.02 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 3i8s h HIS 79 Cb 0.00 -0.33 -0.00 0.00 2.52 0.00 0.00 27.41 29.60 3i8s h HIS 79 CO -0.08 0.79 0.02 -0.92 0.71 0.00 0.00 177.93 178.45 3i8s h TYR 80 N 1.06 0.19 -0.65 5.26 3.20 -1.08 -1.00 116.97 123.95 3i8s h TYR 80 Ca 0.25 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3i8s h TYR 80 Cb 0.14 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3i8s h TYR 80 CO 0.01 0.37 0.33 0.82 -1.64 0.00 0.00 178.16 178.06 3i8s h ILE 81 N -0.04 1.22 0.00 1.81 1.08 -0.83 -2.45 117.51 118.30 3i8s h ILE 81 Ca 0.03 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 3i8s h ILE 81 Cb 0.28 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 3i8s h ILE 81 CO 0.00 0.24 0.00 -0.07 -0.69 0.00 0.00 178.15 177.64 3i8s h LEU 82 N 0.90 0.00 -1.97 1.44 3.38 -0.93 -3.20 115.31 114.93 3i8s h LEU 82 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3i8s h LEU 82 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i8s h LEU 82 CO -0.03 0.00 -0.10 0.77 0.09 0.00 0.00 178.44 179.17 3i8s h SER 83 N 0.00 0.00 -0.44 -0.43 4.64 -0.67 -3.47 113.55 113.18 3i8s h SER 83 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3i8s h SER 83 Cb 0.66 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.67 3i8s h SER 83 CO 0.00 0.10 -0.17 0.61 -0.87 0.00 0.00 176.83 176.50 3i8s n GLY 84 N -0.70 1.05 0.28 -0.77 0.00 -1.21 -4.91 105.19 98.93 3i8s n GLY 84 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 3i8s n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i8s h ASP 85 N 0.00 0.72 -3.77 1.61 3.32 -1.87 -3.43 116.42 113.01 3i8s h ASP 85 Ca -0.19 -0.17 -0.49 0.00 0.02 0.00 0.00 57.03 56.21 3i8s h ASP 85 Cb 0.75 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3i8s h ASP 85 CO 0.28 0.79 0.25 0.00 -1.72 0.00 0.00 179.24 178.84 3i8s s ALA 86 N -4.98 3.28 0.17 3.45 0.00 -1.26 -4.83 121.76 117.59 3i8s s ALA 86 Ca -0.09 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.33 3i8s s ALA 86 Cb 0.15 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.25 3i8s s ALA 86 CO 0.80 0.23 1.41 -0.44 0.00 0.00 0.00 175.76 177.77 3i8s h ASP 87 N 3.23 0.00 -5.00 0.00 3.32 -1.16 -3.48 116.42 113.33 3i8s h ASP 87 Ca -0.47 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.62 3i8s h ASP 87 Cb 1.19 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 3i8s h ASP 87 CO 0.65 0.84 0.22 -1.48 -1.72 0.00 0.00 179.24 177.75 3i8s s LEU 88 N -7.04 -0.36 0.05 1.55 2.34 -1.19 -4.64 118.68 109.38 3i8s s LEU 88 Ca 0.00 -0.41 0.09 0.00 0.06 0.00 0.00 54.13 53.86 3i8s s LEU 88 Cb 0.11 2.69 -0.03 0.00 -0.56 0.00 0.00 46.19 48.40 3i8s s LEU 88 CO 0.80 -1.23 -0.24 -0.76 -1.06 0.00 0.00 176.35 173.86 3i8s s LEU 89 N -2.87 2.32 -0.29 1.48 1.43 -0.46 -2.10 118.68 118.21 3i8s s LEU 89 Ca 0.08 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 3i8s s LEU 89 Cb -0.04 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 3i8s s LEU 89 CO 0.01 0.25 0.10 -0.63 0.23 0.00 0.00 176.35 176.30 3i8s s ILE 90 N -0.86 4.22 -0.39 -0.59 1.01 -0.24 -0.65 121.20 123.70 3i8s s ILE 90 Ca 0.13 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 3i8s s ILE 90 Cb -0.10 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3i8s s ILE 90 CO 0.03 0.15 0.29 0.21 0.00 0.00 0.00 174.94 175.62 3i8s s ASN 91 N 1.56 6.10 -0.19 3.58 2.47 0.29 -1.41 114.94 127.35 3i8s s ASN 91 Ca 0.04 -0.76 -0.23 0.00 0.42 0.00 0.00 52.86 52.33 3i8s s ASN 91 Cb -0.17 -2.16 -0.02 0.00 -1.45 0.00 0.00 41.25 37.46 3i8s s ASN 91 CO 0.04 -0.40 0.73 -0.69 -3.72 0.00 0.00 177.10 173.06 3i8s s VAL 92 N 1.71 4.95 -0.08 -5.21 1.01 -0.52 -0.64 120.40 121.62 3i8s s VAL 92 Ca 0.06 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.46 3i8s s VAL 92 Cb -0.18 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.17 3i8s s VAL 92 CO 0.10 0.06 -0.13 -0.69 0.00 0.00 0.00 175.10 174.44 3i8s s VAL 93 N 2.09 1.27 -0.40 2.92 1.01 0.19 -4.39 120.40 123.09 3i8s s VAL 93 Ca 0.33 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3i8s s VAL 93 Cb -0.16 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3i8s s VAL 93 CO 0.11 0.39 1.33 -0.62 0.00 0.00 0.00 175.10 176.31 3i8s s ASP 94 N 0.83 6.47 0.54 3.32 2.15 -1.26 -1.02 116.67 127.70 3i8s s ASP 94 Ca -0.11 0.84 0.24 0.00 0.43 0.00 0.00 52.55 53.95 3i8s s ASP 94 Cb -0.15 -2.54 1.44 0.00 -0.30 0.00 0.00 42.92 41.36 3i8s s ASP 94 CO 0.02 -1.32 2.06 0.00 -0.17 0.00 0.00 175.17 175.76 3i8s h ALA 95 N 10.10 2.18 -0.01 3.66 0.00 -1.36 -1.46 119.26 132.37 3i8s h ALA 95 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i8s h ALA 95 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i8s h ALA 95 CO 1.08 -0.39 -0.15 -1.13 0.00 0.00 0.00 179.25 178.67 3i8s n SER 96 N -4.25 0.79 -2.72 0.00 3.41 -1.26 -4.07 113.62 105.51 3i8s n SER 96 Ca 0.04 -0.83 -0.10 0.00 -0.26 0.00 0.00 58.87 57.73 3i8s n SER 96 Cb 0.40 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.70 1.22 -0.03 4.04 3.02 -0.56 -4.98 115.26 117.27 3i8s n ASN 97 Ca 0.15 -2.74 -0.11 0.00 -0.03 0.00 0.00 54.58 51.85 3i8s n ASN 97 Cb 0.31 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 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 2.96 0.18 -0.47 3.41 5.85 -1.68 -2.42 115.31 123.14 3i8s h LEU 98 Ca -0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3i8s h LEU 98 Cb 1.16 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3i8s h LEU 98 CO 0.47 0.23 0.31 -0.08 -0.34 0.00 0.00 178.44 179.04 3i8s h GLU 99 N 0.12 0.62 -0.38 1.25 4.81 -1.94 -1.04 114.58 118.03 3i8s h GLU 99 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i8s h GLU 99 Cb 0.09 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3i8s h GLU 99 CO -0.01 0.42 0.25 -0.09 -0.73 0.00 0.00 179.01 178.85 3i8s h ARG 100 N 0.64 0.49 0.00 1.92 2.43 -1.93 -2.86 114.38 115.07 3i8s h ARG 100 Ca 0.17 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3i8s h ARG 100 Cb -0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3i8s h ARG 100 CO -0.04 0.33 -0.26 -0.91 -1.51 0.00 0.00 179.97 177.58 3i8s h ASN 101 N 0.51 0.00 0.67 -3.80 2.35 -0.90 -3.17 115.58 111.24 3i8s h ASN 101 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3i8s h ASN 101 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3i8s h ASN 101 CO -0.03 0.26 0.00 0.18 -1.65 0.00 0.00 177.43 176.19 3i8s n LEU 102 N -3.94 0.00 -0.07 1.61 4.77 -0.45 -3.09 117.00 115.83 3i8s n LEU 102 Ca -0.02 0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 56.35 3i8s n LEU 102 Cb 0.34 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3i8s n LEU 102 CO 0.36 -0.15 0.86 0.22 -1.33 0.00 0.00 177.39 177.34 3i8s h TYR 103 N 0.00 0.37 -0.36 -1.77 3.20 -1.65 0.17 116.97 116.92 3i8s h TYR 103 Ca 0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3i8s h TYR 103 Cb 0.34 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3i8s h TYR 103 CO 0.00 0.41 0.13 1.25 -1.64 0.00 0.00 178.16 178.31 3i8s h LEU 104 N 0.23 0.52 -0.51 2.82 5.85 -1.64 -2.77 115.31 119.82 3i8s h LEU 104 Ca 0.08 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3i8s h LEU 104 Cb 0.20 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3i8s h LEU 104 CO -0.00 0.56 0.11 0.74 -0.34 0.00 0.00 178.44 179.51 3i8s h THR 105 N 0.44 0.73 -0.94 1.05 2.02 -1.49 -2.07 112.91 112.65 3i8s h THR 105 Ca 0.12 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3i8s h THR 105 Cb 0.22 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 3i8s h THR 105 CO -0.01 0.05 0.59 0.25 0.37 0.00 0.00 175.52 176.77 3i8s h LEU 106 N 0.26 0.89 -0.39 2.58 6.46 -0.54 -1.32 115.31 123.24 3i8s h LEU 106 Ca 0.26 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.06 3i8s h LEU 106 Cb 0.34 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 3i8s h LEU 106 CO -0.32 0.53 0.23 1.56 -0.62 0.00 0.00 178.44 179.82 3i8s h GLN 107 N 1.01 0.46 -0.54 1.25 4.20 -1.10 0.14 115.11 120.52 3i8s h GLN 107 Ca 0.43 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 59.06 3i8s h GLN 107 Cb 0.30 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3i8s h GLN 107 CO -0.22 0.30 0.14 -0.07 -0.67 0.00 0.00 178.83 178.31 3i8s h LEU 108 N 0.47 0.82 -0.55 1.46 3.38 -1.04 -1.27 115.31 118.58 3i8s h LEU 108 Ca 0.16 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3i8s h LEU 108 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3i8s h LEU 108 CO -0.07 0.84 -0.35 -0.07 0.09 0.00 0.00 178.44 178.88 3i8s h LEU 109 N 0.76 0.83 -1.37 1.67 3.38 -1.02 -2.11 115.31 117.46 3i8s h LEU 109 Ca 0.17 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3i8s h LEU 109 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i8s h LEU 109 CO 0.00 1.10 -0.30 -0.33 0.09 0.00 0.00 178.44 179.00 3i8s h GLU 110 N 0.66 0.03 0.00 1.13 5.08 -0.51 -1.43 114.58 119.53 3i8s h GLU 110 Ca 0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3i8s h GLU 110 Cb 0.89 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 3i8s h GLU 110 CO 0.08 0.33 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.31 3i8s h LEU 111 N 0.02 0.00 0.04 1.33 -0.00 -1.00 -3.42 115.31 112.28 3i8s h LEU 111 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 3i8s h LEU 111 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 3i8s h LEU 111 CO 0.04 0.03 -0.02 0.61 -0.00 0.00 0.00 178.44 179.11 3i8s n GLY 112 N 0.30 0.46 3.72 0.83 0.00 -0.54 -4.26 105.19 105.70 3i8s n GLY 112 Ca 0.01 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.02 4.07 0.19 -0.61 1.01 -1.07 -4.76 121.20 118.00 3i8s s ILE 113 Ca 0.00 1.52 -0.32 0.00 0.00 0.00 0.00 60.65 61.85 3i8s s ILE 113 Cb 0.00 -3.97 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 3i8s s ILE 113 CO 0.00 0.13 1.75 -2.84 0.00 0.00 0.00 174.94 173.98 3i8s s PRO 114 N 0.89 4.13 0.04 2.79 0.02 -1.26 -4.75 135.00 136.85 3i8s s PRO 114 Ca 0.57 2.60 0.04 0.00 0.02 0.00 0.00 61.00 64.24 3i8s s PRO 114 Cb -0.29 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.01 3i8s s PRO 114 CO 0.30 -0.77 -0.12 0.00 -0.33 0.00 0.00 177.00 176.07 3i8s s ILE 116 N -0.88 1.97 -0.19 0.00 1.01 0.18 -4.19 121.20 119.09 3i8s s ILE 116 Ca -0.01 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3i8s s ILE 116 Cb -0.08 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3i8s s ILE 116 CO 0.01 0.53 1.01 -0.69 0.00 0.00 0.00 174.94 175.80 3i8s s VAL 117 N 1.09 4.73 -0.40 2.92 1.01 -0.55 -0.55 120.40 128.65 3i8s s VAL 117 Ca -0.01 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 3i8s s VAL 117 Cb -0.14 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.99 3i8s s VAL 117 CO -0.07 -0.11 0.24 0.00 0.00 0.00 0.00 175.10 175.16 3i8s s ALA 118 N 2.80 3.32 -0.35 5.51 0.00 0.18 -0.14 121.76 133.08 3i8s s ALA 118 Ca 0.44 -1.86 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 3i8s s ALA 118 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3i8s s ALA 118 CO 0.10 -1.49 0.65 -0.51 0.00 0.00 0.00 175.76 174.50 3i8s s LEU 119 N 1.54 4.23 0.00 0.00 1.43 -0.30 -0.64 118.68 124.94 3i8s s LEU 119 Ca 0.02 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3i8s s LEU 119 Cb -0.21 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 43.21 3i8s s LEU 119 CO 0.06 -0.59 0.01 -0.46 0.23 0.00 0.00 176.35 175.59 3i8s n ASN 120 N 6.05 2.30 -2.81 2.29 6.94 -0.19 -0.22 115.26 129.62 3i8s n ASN 120 Ca -0.01 -1.75 -0.21 0.00 -0.02 0.00 0.00 54.58 52.59 3i8s n ASN 120 Cb 0.49 0.15 0.01 0.00 -2.36 0.00 0.00 39.78 38.07 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 -0.41 -3.48 0.08 -3.83 2.81 -1.26 -1.05 117.12 109.97 3i8s n MET 121 Ca -0.06 0.86 0.06 0.00 -1.81 0.00 0.00 57.70 56.74 3i8s n MET 121 Cb 0.22 -5.62 0.51 0.00 -0.71 0.00 0.00 33.22 27.61 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 -0.77 0.30 -0.70 4.03 3.38 -1.85 -1.37 115.31 118.32 3i8s h LEU 122 Ca -0.48 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 3i8s h LEU 122 Cb 1.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3i8s h LEU 122 CO 0.55 0.21 -0.03 -2.24 0.09 0.00 0.00 178.44 177.02 3i8s h ASP 123 N 0.35 0.96 -0.11 -0.43 2.03 -1.94 -0.45 116.42 116.84 3i8s h ASP 123 Ca 0.11 -0.27 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 3i8s h ASP 123 Cb 0.02 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.26 3i8s h ASP 123 CO -0.02 1.03 -0.01 0.40 -1.03 0.00 0.00 179.24 179.60 3i8s h ILE 124 N 0.90 1.28 -0.96 4.15 2.04 -1.76 -2.14 117.51 121.02 3i8s h ILE 124 Ca 0.16 -0.89 0.17 0.00 1.00 0.00 0.00 64.86 65.29 3i8s h ILE 124 Cb 0.56 1.66 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 3i8s h ILE 124 CO 0.03 0.26 0.56 0.00 0.00 0.00 0.00 178.15 179.00 3i8s h ALA 125 N 0.71 1.54 -0.36 1.87 0.00 -1.15 -1.32 119.26 120.55 3i8s h ALA 125 Ca 0.03 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i8s h ALA 125 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i8s h ALA 125 CO 0.01 -0.03 -0.00 1.49 0.00 0.00 0.00 179.25 180.72 3i8s h GLU 126 N 0.75 0.63 0.00 0.00 4.81 -0.95 0.42 114.58 120.24 3i8s h GLU 126 Ca 0.54 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3i8s h GLU 126 Cb 0.79 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3i8s h GLU 126 CO -0.37 0.74 -0.09 0.87 -0.73 0.00 0.00 179.01 179.43 3i8s h LYS 127 N 0.44 0.00 -0.39 1.92 1.57 -0.60 -1.67 116.57 117.85 3i8s h LYS 127 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3i8s h LYS 127 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3i8s h LYS 127 CO 0.02 0.09 0.00 1.04 -0.57 0.00 0.00 179.45 180.03 3i8s n GLN 128 N -3.71 1.95 -3.67 3.15 1.13 -0.62 -4.92 117.38 110.68 3i8s n GLN 128 Ca -0.02 -1.47 -0.28 0.00 -1.94 0.00 0.00 57.00 53.29 3i8s n GLN 128 Cb 0.20 -1.33 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 3i8s n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i8s n ASN 129 N 0.69 -3.79 -4.65 1.08 3.02 -0.63 -4.95 115.26 106.03 3i8s n ASN 129 Ca 0.14 -0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 53.69 3i8s n ASN 129 Cb 0.35 -3.11 -0.06 0.00 -0.61 0.00 0.00 39.78 36.35 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 -3.07 5.05 -0.10 2.41 1.01 0.09 -4.96 121.20 121.63 3i8s s ILE 130 Ca 0.53 1.06 0.01 0.00 0.00 0.00 0.00 60.65 62.25 3i8s s ILE 130 Cb -0.28 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 3i8s s ILE 130 CO 0.65 0.12 -0.12 -0.13 0.00 0.00 0.00 174.94 175.46 3i8s s ARG 131 N 1.96 3.06 -0.10 2.79 0.52 -0.34 -4.49 118.95 122.35 3i8s s ARG 131 Ca 0.26 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3i8s s ARG 131 Cb -0.16 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.75 3i8s s ARG 131 CO 0.10 0.40 -0.23 0.42 0.02 0.00 0.00 175.30 176.00 3i8s s ILE 132 N -0.12 2.11 -0.73 1.52 1.01 -1.26 -2.16 121.20 121.57 3i8s s ILE 132 Ca -0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 60.65 59.37 3i8s s ILE 132 Cb -0.14 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.56 3i8s s ILE 132 CO 0.03 0.56 1.26 -1.61 0.00 0.00 0.00 174.94 175.18 3i8s s GLU 133 N 0.35 3.19 0.13 2.79 2.02 0.11 -4.91 118.70 122.37 3i8s s GLU 133 Ca -0.18 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 3i8s s GLU 133 Cb -0.18 -4.18 -0.01 0.00 0.10 0.00 0.00 34.13 29.86 3i8s s GLU 133 CO 0.09 -2.13 1.64 0.82 0.02 0.00 0.00 175.26 175.70 3i8s h ILE 134 N 6.03 1.22 0.00 -1.63 1.08 -1.97 -0.90 117.51 121.34 3i8s h ILE 134 Ca -0.28 -0.72 -0.13 0.00 -0.39 0.00 0.00 64.86 63.34 3i8s h ILE 134 Cb 1.05 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 3i8s h ILE 134 CO 1.27 0.25 -0.60 0.44 -0.69 0.00 0.00 178.15 178.82 3i8s h ASP 135 N 0.49 0.00 -0.38 1.72 5.19 -1.92 -0.24 116.42 121.28 3i8s h ASP 135 Ca 0.13 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 3i8s h ASP 135 Cb 0.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 3i8s h ASP 135 CO -0.00 0.60 0.01 0.00 -3.12 0.00 0.00 179.24 176.73 3i8s h ALA 136 N 1.40 0.51 -0.16 3.45 0.00 -1.94 -0.58 119.26 121.94 3i8s h ALA 136 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i8s h ALA 136 Cb 1.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3i8s h ALA 136 CO 0.08 0.28 0.10 1.25 0.00 0.00 0.00 179.25 180.96 3i8s h LEU 137 N 0.49 0.17 -0.68 0.00 5.85 -0.90 -1.53 115.31 118.72 3i8s h LEU 137 Ca 0.11 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3i8s h LEU 137 Cb 0.46 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3i8s h LEU 137 CO 0.02 0.13 0.40 -1.28 -0.34 0.00 0.00 178.44 177.36 3i8s h SER 138 N 0.21 0.63 -0.39 1.25 0.87 -0.94 -0.46 113.55 114.72 3i8s h SER 138 Ca 0.06 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3i8s h SER 138 Cb -0.02 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3i8s h SER 138 CO -0.02 0.42 0.10 0.00 -0.53 0.00 0.00 176.83 176.80 3i8s h ALA 139 N 1.32 1.33 0.00 6.23 0.00 -0.93 0.87 119.26 128.09 3i8s h ALA 139 Ca 0.29 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3i8s h ALA 139 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i8s h ALA 139 CO -0.15 0.48 -0.95 0.00 0.00 0.00 0.00 179.25 178.63 3i8s h ARG 140 N 0.67 0.01 0.00 0.00 3.08 -0.60 -3.23 114.38 114.31 3i8s h ARG 140 Ca 0.15 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.97 3i8s h ARG 140 Cb 0.26 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3i8s h ARG 140 CO -0.00 0.95 -1.24 -0.07 -1.07 0.00 0.00 179.97 178.54 3i8s h LEU 141 N 0.01 0.00 0.25 3.04 3.38 -0.86 -3.47 115.31 117.65 3i8s h LEU 141 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3i8s h LEU 141 Cb 1.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.38 3i8s h LEU 141 CO 0.13 0.80 -0.10 0.61 0.09 0.00 0.00 178.44 179.97 3i8s n GLY 142 N 1.40 0.78 3.15 0.83 0.00 0.28 -4.86 105.19 106.77 3i8s n GLY 142 Ca -0.07 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.96 3.90 -0.20 0.00 0.02 -1.26 -4.48 135.00 129.02 3i8s s PRO 144 Ca 0.17 2.35 0.01 0.00 0.02 0.00 0.00 61.00 63.55 3i8s s PRO 144 Cb 0.07 -2.77 0.04 0.00 0.02 0.00 0.00 34.50 31.86 3i8s s PRO 144 CO -0.03 -0.62 -0.13 0.08 -0.33 0.00 0.00 177.00 175.98 3i8s s VAL 145 N -1.20 1.79 -0.31 3.83 1.01 -1.26 -1.49 120.40 122.77 3i8s s VAL 145 Ca 0.57 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3i8s s VAL 145 Cb -0.42 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3i8s s VAL 145 CO 0.55 0.24 0.04 -0.63 0.00 0.00 0.00 175.10 175.30 3i8s s ILE 146 N 1.34 3.33 0.22 2.22 -1.09 0.80 -4.95 121.20 123.07 3i8s s ILE 146 Ca -0.00 -1.22 -0.30 0.00 -2.23 0.00 0.00 60.65 56.90 3i8s s ILE 146 Cb -0.16 -2.87 -0.10 0.00 -1.58 0.00 0.00 42.46 37.76 3i8s s ILE 146 CO -0.09 -0.09 1.40 -2.84 -1.23 0.00 0.00 174.94 172.09 3i8s s PRO 147 N 1.33 4.31 -1.19 2.79 0.02 -1.26 -1.15 135.00 139.84 3i8s s PRO 147 Ca -0.03 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 3i8s s PRO 147 Cb -0.19 -3.14 0.21 0.00 0.02 0.00 0.00 34.50 31.40 3i8s s PRO 147 CO 0.00 -0.37 1.43 1.28 -0.33 0.00 0.00 177.00 179.01 3i8s n LEU 148 N 2.55 5.63 -4.69 -5.54 4.77 0.69 -4.49 117.00 115.94 3i8s n LEU 148 Ca 0.07 -4.71 -0.42 0.00 -0.03 0.00 0.00 56.01 50.91 3i8s n LEU 148 Cb 0.41 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 3i8s n LEU 148 CO 0.60 1.08 0.92 -0.69 -1.33 0.00 0.00 177.39 177.97 3i8s s VAL 149 N 0.22 4.40 0.13 4.08 1.01 -1.26 -4.76 120.40 124.22 3i8s s VAL 149 Ca 0.38 1.70 -0.11 0.00 0.00 0.00 0.00 61.98 63.95 3i8s s VAL 149 Cb -0.02 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 3i8s s VAL 149 CO -0.01 -0.01 1.42 -1.28 0.00 0.00 0.00 175.10 175.22 3i8s h SER 150 N 7.41 0.99 -1.15 3.32 0.87 -1.95 -0.51 113.55 122.54 3i8s h SER 150 Ca -0.32 -0.52 -0.83 0.00 -1.23 0.00 0.00 61.79 58.88 3i8s h SER 150 Cb 1.15 -0.28 0.02 0.00 -0.44 0.00 0.00 62.40 62.84 3i8s h SER 150 CO 0.88 1.32 0.68 0.41 -0.53 0.00 0.00 176.83 179.59 3i8s n THR 151 N -4.02 0.07 -1.58 2.23 -1.04 -1.26 -0.14 114.28 108.55 3i8s n THR 151 Ca -0.04 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.85 3i8s n THR 151 Cb 0.61 -0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 3i8s n THR 151 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i8s n ARG 152 N 4.07 -1.49 -1.81 -2.82 5.12 -1.26 -2.40 116.66 116.07 3i8s n ARG 152 Ca 0.29 0.61 -0.19 0.00 -1.93 0.00 0.00 57.85 56.63 3i8s n ARG 152 Cb 0.00 -4.90 -0.06 0.00 -1.16 0.00 0.00 32.46 26.34 3i8s n ARG 152 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8s n GLY 153 N -0.33 1.10 0.28 -0.13 0.00 0.81 -4.85 105.19 102.07 3i8s n GLY 153 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.07 3i8s n GLY 153 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i8s h ARG 154 N 0.00 0.00 -0.12 1.61 0.11 -1.53 -2.83 114.38 111.61 3i8s h ARG 154 Ca -0.41 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.66 3i8s h ARG 154 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 3i8s h ARG 154 CO 0.56 0.06 0.02 0.78 0.10 0.00 0.00 179.97 181.49 3i8s h GLY 155 N 0.96 0.22 1.44 0.08 0.00 -1.31 -0.31 103.07 104.14 3i8s h GLY 155 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3i8s h GLY 155 CO 0.01 0.13 -0.39 -2.22 0.00 0.00 0.00 176.54 174.07 3i8s h ILE 156 N -0.02 1.29 -0.31 2.60 2.04 -1.75 -0.58 117.51 120.78 3i8s h ILE 156 Ca 0.04 -1.55 -0.13 0.00 1.00 0.00 0.00 64.86 64.22 3i8s h ILE 156 Cb 0.29 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3i8s h ILE 156 CO 0.00 0.49 -0.32 1.05 0.00 0.00 0.00 178.15 179.37 3i8s h GLU 157 N 0.51 0.67 -0.60 2.37 4.11 -1.48 0.10 114.58 120.26 3i8s h GLU 157 Ca 0.05 -0.31 -0.03 0.00 0.07 0.00 0.00 59.36 59.13 3i8s h GLU 157 Cb 0.90 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3i8s h GLU 157 CO 0.08 0.91 0.24 0.00 0.07 0.00 0.00 179.01 180.31 3i8s h ALA 158 N 1.07 1.29 -0.41 1.06 0.00 -0.80 -1.62 119.26 119.86 3i8s h ALA 158 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3i8s h ALA 158 Cb 0.83 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i8s h ALA 158 CO 0.07 0.53 -0.17 1.25 0.00 0.00 0.00 179.25 180.93 3i8s h LEU 159 N 0.87 0.86 -1.01 0.00 5.85 -0.64 -1.45 115.31 119.78 3i8s h LEU 159 Ca 0.21 -0.39 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 3i8s h LEU 159 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3i8s h LEU 159 CO -0.02 1.06 -0.21 0.11 -0.34 0.00 0.00 178.44 179.04 3i8s h LYS 160 N 0.65 0.46 -0.44 1.25 1.57 -0.85 -0.71 116.57 118.51 3i8s h LYS 160 Ca 0.09 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3i8s h LYS 160 Cb 0.72 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3i8s h LYS 160 CO 0.05 0.65 0.21 1.25 -0.57 0.00 0.00 179.45 181.04 3i8s h LEU 161 N 0.42 0.58 -0.78 2.94 5.85 -1.14 -1.93 115.31 121.26 3i8s h LEU 161 Ca 0.07 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3i8s h LEU 161 Cb 0.60 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3i8s h LEU 161 CO 0.04 0.56 0.45 0.00 -0.34 0.00 0.00 178.44 179.15 3i8s h ALA 162 N 1.05 0.99 -0.42 1.25 0.00 -0.81 -2.28 119.26 119.04 3i8s h ALA 162 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i8s h ALA 162 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3i8s h ALA 162 CO -0.02 0.48 0.21 0.82 0.00 0.00 0.00 179.25 180.74 3i8s h ILE 163 N 1.07 0.97 0.00 0.00 2.04 -0.94 -1.44 117.51 119.21 3i8s h ILE 163 Ca 0.28 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3i8s h ILE 163 Cb -0.01 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3i8s h ILE 163 CO -0.05 0.08 0.00 0.44 0.00 0.00 0.00 178.15 178.62 3i8s h ASP 164 N 0.42 0.00 -0.50 1.72 3.45 -0.95 -2.22 116.42 118.34 3i8s h ASP 164 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3i8s h ASP 164 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3i8s h ASP 164 CO -0.13 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.08 3i8s n ARG 165 N -2.74 2.87 -2.20 3.56 1.74 -0.73 -5.03 116.66 114.13 3i8s n ARG 165 Ca 0.00 -2.34 -0.36 0.00 -0.77 0.00 0.00 57.85 54.39 3i8s n ARG 165 Cb 0.22 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.11 2.63 0.28 -1.55 1.13 -0.62 -5.01 117.35 113.10 3i8s s TYR 166 Ca 0.34 1.53 -0.08 0.00 -1.41 0.00 0.00 57.07 57.46 3i8s s TYR 166 Cb 0.19 -3.35 0.03 0.00 -1.10 0.00 0.00 41.96 37.73 3i8s s TYR 166 CO 0.22 -1.73 0.51 0.36 -2.51 0.00 0.00 175.55 172.40 3i8s n LYS 167 N -1.26 0.73 -1.74 -3.49 2.85 -1.26 -5.09 118.16 108.89 3i8s n LYS 167 Ca 0.12 -1.73 -0.40 0.00 -1.05 0.00 0.00 58.31 55.25 3i8s n LYS 167 Cb 0.50 1.99 0.02 0.00 -0.65 0.00 0.00 35.03 36.89 3i8s n LYS 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i8s n ALA 168 N -1.27 1.80 -1.54 0.58 0.00 -1.26 -4.73 120.51 114.09 3i8s n ALA 168 Ca -0.11 0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 3i8s n ALA 168 Cb 0.43 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.58 3i8s n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i8s n ASN 169 N -0.11 0.31 -4.75 0.00 3.02 -1.26 -4.95 115.26 107.51 3i8s n ASN 169 Ca 0.06 0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 54.95 3i8s n ASN 169 Cb 0.41 -1.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 3i8s n ASN 169 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i8s s GLU 170 N -2.77 4.36 -1.28 3.52 0.41 0.74 -4.92 118.70 118.75 3i8s s GLU 170 Ca 0.74 2.14 -0.10 0.00 -0.41 0.00 0.00 54.97 57.35 3i8s s GLU 170 Cb -0.40 -3.15 0.16 0.00 -1.78 0.00 0.00 34.13 28.96 3i8s s GLU 170 CO 0.49 -0.27 1.83 -1.71 -0.49 0.00 0.00 175.26 175.11 3i8s n ASN 171 N 2.13 5.06 -4.91 -0.19 5.15 -1.26 -4.59 115.26 116.65 3i8s n ASN 171 Ca 0.05 -3.08 -0.27 0.00 -0.60 0.00 0.00 54.58 50.67 3i8s n ASN 171 Cb 0.42 -1.50 0.01 0.00 -0.53 0.00 0.00 39.78 38.18 3i8s n ASN 171 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i8s s VAL 172 N 0.66 4.48 0.08 3.44 -7.23 -1.26 -5.04 120.40 115.52 3i8s s VAL 172 Ca 0.40 0.13 -0.31 0.00 -1.81 0.00 0.00 61.98 60.40 3i8s s VAL 172 Cb 0.08 -3.72 -0.07 0.00 0.56 0.00 0.00 36.38 33.23 3i8s s VAL 172 CO 0.00 -0.72 1.33 -1.61 -0.31 0.00 0.00 175.10 173.80 3i8s s GLU 173 N -4.83 4.35 0.00 4.82 2.02 -1.26 -4.93 118.70 118.87 3i8s s GLU 173 Ca 0.50 1.96 0.00 0.00 0.02 0.00 0.00 54.97 57.45 3i8s s GLU 173 Cb -0.10 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.80 3i8s s GLU 173 CO 0.45 -0.41 0.00 1.28 0.02 0.00 0.00 175.26 176.60 3i8s n LEU 174 N 4.17 0.00 -4.86 1.80 4.77 -1.26 -4.99 117.00 116.63 3i8s n LEU 174 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 3i8s n LEU 174 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3i8s n LEU 174 CO 0.58 0.00 0.11 -0.69 -1.33 0.00 0.00 177.39 176.05 3i8s s VAL 175 N 0.00 5.05 -0.64 4.08 1.01 -1.26 -4.84 120.40 123.79 3i8s s VAL 175 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 3i8s s VAL 175 Cb 0.00 -3.67 0.16 0.00 0.00 0.00 0.00 36.38 32.88 3i8s s VAL 175 CO 0.00 0.29 0.45 -2.28 0.00 0.00 0.00 175.10 173.57 3i8s s HIS 176 N -1.39 3.42 0.41 5.22 2.46 -1.26 -5.08 115.29 119.06 3i8s s HIS 176 Ca 0.33 -2.82 -0.23 0.00 0.47 0.00 0.00 55.06 52.81 3i8s s HIS 176 Cb -0.14 -3.14 -0.10 0.00 -0.13 0.00 0.00 32.58 29.07 3i8s s HIS 176 CO 0.18 -0.81 1.00 0.71 -2.47 0.00 0.00 174.74 173.35 3i8s s TYR 177 N -0.27 3.29 0.52 3.88 1.51 -1.26 -4.90 117.35 120.12 3i8s s TYR 177 Ca 0.18 1.64 -0.23 0.00 -1.01 0.00 0.00 57.07 57.66 3i8s s TYR 177 Cb -0.19 -3.01 -0.06 0.00 -0.11 0.00 0.00 41.96 38.59 3i8s s TYR 177 CO -0.04 -0.40 1.38 0.00 -1.11 0.00 0.00 175.55 175.38 3i8s s ALA 178 N -1.86 2.93 0.22 3.71 0.00 -1.26 -4.82 121.76 120.68 3i8s s ALA 178 Ca 0.60 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.86 3i8s s ALA 178 Cb -0.17 -3.58 0.33 0.00 0.00 0.00 0.00 23.12 19.71 3i8s s ALA 178 CO 0.21 -1.34 1.74 0.37 0.00 0.00 0.00 175.76 176.74 3i8s h GLN 179 N 1.68 0.40 -0.64 0.00 5.75 -2.00 -1.12 115.11 119.17 3i8s h GLN 179 Ca -0.51 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.07 3i8s h GLN 179 Cb 1.29 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.71 3i8s h GLN 179 CO 0.58 0.26 0.43 -1.35 -2.65 0.00 0.00 178.83 176.11 3i8s h PRO 180 N 0.41 0.42 -0.26 -2.39 0.11 -1.93 -1.23 132.00 127.11 3i8s h PRO 180 Ca 0.34 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 3i8s h PRO 180 Cb 0.46 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3i8s h PRO 180 CO -0.35 0.28 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.51 3i8s h LEU 181 N 0.43 0.58 -0.45 2.35 3.38 -1.57 -2.25 115.31 117.79 3i8s h LEU 181 Ca 0.30 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3i8s h LEU 181 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3i8s h LEU 181 CO -0.09 0.87 0.29 -0.07 0.09 0.00 0.00 178.44 179.53 3i8s h LEU 182 N 0.29 0.51 -0.46 1.67 3.38 -1.14 0.14 115.31 119.71 3i8s h LEU 182 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i8s h LEU 182 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3i8s h LEU 182 CO 0.04 0.38 0.29 0.78 0.09 0.00 0.00 178.44 180.02 3i8s h ASN 183 N 0.60 0.55 -0.15 -0.43 2.35 -1.18 0.60 115.58 117.91 3i8s h ASN 183 Ca 0.16 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 3i8s h ASN 183 Cb -0.06 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 3i8s h ASN 183 CO -0.03 0.43 -0.58 -0.33 -1.65 0.00 0.00 177.43 175.26 3i8s h GLU 184 N 0.62 0.75 -0.87 0.81 4.39 -1.26 -0.70 114.58 118.31 3i8s h GLU 184 Ca 0.17 -0.50 0.02 0.00 0.34 0.00 0.00 59.36 59.39 3i8s h GLU 184 Cb -0.03 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 3i8s h GLU 184 CO -0.03 1.12 0.57 0.00 -1.16 0.00 0.00 179.01 179.51 3i8s h ALA 185 N 0.77 1.13 -0.84 3.43 0.00 -0.43 -1.43 119.26 121.89 3i8s h ALA 185 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i8s h ALA 185 Cb 1.17 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3i8s h ALA 185 CO 0.12 0.46 0.55 -0.44 0.00 0.00 0.00 179.25 179.94 3i8s h ASP 186 N 1.14 0.92 -0.39 0.00 3.32 -0.72 -0.37 116.42 120.32 3i8s h ASP 186 Ca 0.33 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 3i8s h ASP 186 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3i8s h ASP 186 CO -0.09 0.64 0.07 -1.28 -1.72 0.00 0.00 179.24 176.86 3i8s h SER 187 N 1.08 0.67 -0.03 6.45 0.87 -0.12 -2.50 113.55 119.96 3i8s h SER 187 Ca 0.33 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.62 3i8s h SER 187 Cb -0.04 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3i8s h SER 187 CO -0.10 0.69 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.28 3i8s h LEU 188 N 0.69 0.53 -1.42 2.23 3.38 -1.22 -3.28 115.31 116.23 3i8s h LEU 188 Ca 0.15 -0.72 0.11 0.00 0.09 0.00 0.00 57.88 57.51 3i8s h LEU 188 Cb 0.32 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3i8s h LEU 188 CO 0.00 1.18 0.51 0.00 0.09 0.00 0.00 178.44 180.22 3i8s h ALA 189 N 0.37 1.88 -0.09 1.53 0.00 -0.94 -1.90 119.26 120.11 3i8s h ALA 189 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i8s h ALA 189 Cb 1.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i8s h ALA 189 CO 0.11 -0.06 0.32 0.87 0.00 0.00 0.00 179.25 180.49 3i8s h LYS 190 N 0.62 0.00 -0.01 0.00 1.57 -1.50 -2.65 116.57 114.60 3i8s h LYS 190 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3i8s h LYS 190 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3i8s h LYS 190 CO -0.14 0.00 -0.15 0.28 -0.57 0.00 0.00 179.45 178.87 3i8s n VAL 191 N -3.12 0.00 -1.81 0.50 0.31 -0.72 -5.02 118.33 108.47 3i8s n VAL 191 Ca -0.00 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.60 3i8s n VAL 191 Cb 0.39 1.09 0.04 0.00 -0.91 0.00 0.00 33.84 34.45 3i8s n VAL 191 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3i8s s MET 192 N -1.13 3.04 0.14 5.55 -1.94 -1.00 -4.14 119.30 119.82 3i8s s MET 192 Ca 0.06 0.63 -0.34 0.00 -1.71 0.00 0.00 55.69 54.32 3i8s s MET 192 Cb 0.06 -2.03 -0.15 0.00 2.01 0.00 0.00 34.83 34.72 3i8s s MET 192 CO 0.19 -0.94 1.44 -2.30 -0.01 0.00 0.00 175.02 173.40 3i8s n PRO 193 N -2.98 1.70 0.24 2.03 -0.02 -1.26 -4.85 135.00 129.87 3i8s n PRO 193 Ca 0.07 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3i8s n PRO 193 Cb 0.56 -2.30 0.70 0.00 -0.02 0.00 0.00 33.50 32.43 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 5.05 0.00 0.20 2.55 4.64 -1.96 -1.99 113.55 122.04 3i8s h SER 194 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3i8s h SER 194 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3i8s h SER 194 CO 0.82 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.88 3i8s n ASP 195 N -4.37 0.00 -4.71 4.97 5.75 -1.26 -4.68 116.55 112.25 3i8s n ASP 195 Ca -0.02 -0.02 -0.37 0.00 -0.01 0.00 0.00 54.79 54.37 3i8s n ASP 195 Cb 0.14 -0.22 -0.07 0.00 -1.03 0.00 0.00 41.12 39.94 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 -2.44 5.26 0.39 2.12 1.01 -0.75 -5.05 121.20 121.74 3i8s s ILE 196 Ca 0.15 0.66 -0.27 0.00 0.00 0.00 0.00 60.65 61.19 3i8s s ILE 196 Cb 0.09 -3.69 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 3i8s s ILE 196 CO 0.19 0.34 1.32 -2.65 0.00 0.00 0.00 174.94 174.15 3i8s n PRO 197 N 3.86 2.13 -0.30 2.79 -0.02 -1.26 -4.73 135.00 137.47 3i8s n PRO 197 Ca -0.10 0.75 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3i8s n PRO 197 Cb 0.52 -2.43 0.28 0.00 -0.02 0.00 0.00 33.50 31.84 3i8s n PRO 197 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i8s h LEU 198 N 2.37 -0.10 -1.00 2.45 3.38 -1.96 0.38 115.31 120.83 3i8s h LEU 198 Ca -0.48 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3i8s h LEU 198 Cb 1.28 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 3i8s h LEU 198 CO 0.61 -0.19 0.44 0.11 0.09 0.00 0.00 178.44 179.51 3i8s h LYS 199 N 0.17 1.15 -0.01 1.13 1.57 -1.90 -0.78 116.57 117.89 3i8s h LYS 199 Ca 0.54 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 59.03 3i8s h LYS 199 Cb 1.10 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3i8s h LYS 199 CO -0.69 0.85 -0.73 1.96 -0.57 0.00 0.00 179.45 180.26 3i8s h GLN 200 N 1.15 0.08 -0.53 3.15 4.20 -1.17 -1.90 115.11 120.09 3i8s h GLN 200 Ca 0.29 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 3i8s h GLN 200 Cb 0.04 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3i8s h GLN 200 CO -0.05 0.78 -0.02 0.00 -0.67 0.00 0.00 178.83 178.88 3i8s h ARG 201 N 0.05 0.95 -0.68 1.46 3.08 -0.83 0.13 114.38 118.55 3i8s h ARG 201 Ca -0.02 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.74 3i8s h ARG 201 Cb 1.30 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 3i8s h ARG 201 CO 0.10 0.97 0.44 -0.09 -1.07 0.00 0.00 179.97 180.32 3i8s h ARG 202 N 0.82 0.87 -0.33 0.04 9.65 -1.10 -1.24 114.38 123.10 3i8s h ARG 202 Ca 0.15 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 3i8s h ARG 202 Cb 0.55 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3i8s h ARG 202 CO 0.03 0.57 0.05 2.35 2.80 0.00 0.00 179.97 185.77 3i8s h TRP 203 N 0.89 0.58 -0.98 2.20 7.01 -0.99 -1.61 115.95 123.06 3i8s h TRP 203 Ca 0.25 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.18 3i8s h TRP 203 Cb -0.07 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.78 3i8s h TRP 203 CO -0.03 0.63 0.65 -0.07 -2.79 0.00 0.00 178.44 176.82 3i8s h LEU 204 N 0.37 1.12 -0.53 0.65 3.38 -0.61 -1.42 115.31 118.26 3i8s h LEU 204 Ca 0.10 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3i8s h LEU 204 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3i8s h LEU 204 CO 0.01 0.80 0.32 1.23 0.09 0.00 0.00 178.44 180.89 3i8s h GLY 205 N 1.32 0.76 0.99 0.83 0.00 -0.88 -2.22 103.07 103.87 3i8s h GLY 205 Ca 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3i8s h GLY 205 CO -0.08 0.21 0.32 1.41 0.00 0.00 0.00 176.54 178.39 3i8s h LEU 206 N 0.64 0.67 -0.93 3.11 3.38 -0.82 -1.94 115.31 119.42 3i8s h LEU 206 Ca 0.21 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3i8s h LEU 206 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3i8s h LEU 206 CO -0.09 0.55 -0.14 1.56 0.09 0.00 0.00 178.44 180.40 3i8s h GLN 207 N 0.74 0.63 -0.60 1.13 1.08 -0.92 -1.24 115.11 115.93 3i8s h GLN 207 Ca 0.20 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 3i8s h GLN 207 Cb 0.01 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 3i8s h GLN 207 CO -0.03 0.75 0.11 0.52 -0.95 0.00 0.00 178.83 179.22 3i8s h MET 208 N 0.57 0.98 -0.15 1.46 2.86 -1.25 -2.23 114.93 117.18 3i8s h MET 208 Ca 0.10 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 3i8s h MET 208 Cb 0.57 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3i8s h MET 208 CO 0.04 0.92 -0.16 -0.07 1.06 0.00 0.00 176.91 178.70 3i8s h LEU 209 N 0.89 0.23 -1.14 1.22 3.38 -0.87 -2.72 115.31 116.31 3i8s h LEU 209 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3i8s h LEU 209 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i8s h LEU 209 CO 0.01 0.41 0.00 -0.08 0.09 0.00 0.00 178.44 178.87 3i8s h GLU 210 N 0.23 0.00 0.00 1.13 4.81 -0.82 -3.40 114.58 116.52 3i8s h GLU 210 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i8s h GLU 210 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i8s h GLU 210 CO 0.03 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 3i8s n GLY 211 N 0.24 1.90 3.81 1.92 0.00 -1.02 -4.52 105.19 107.52 3i8s n GLY 211 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3i8s n GLY 211 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i8s s ASP 212 N -2.00 2.64 -0.17 1.61 -4.77 -0.88 -4.61 116.67 108.49 3i8s s ASP 212 Ca 0.00 0.52 -0.14 0.00 -3.30 0.00 0.00 52.55 49.63 3i8s s ASP 212 Cb 0.00 -0.74 -0.07 0.00 -1.09 0.00 0.00 42.92 41.02 3i8s s ASP 212 CO 0.00 -3.05 -0.18 -0.38 0.70 0.00 0.00 175.17 172.26 3i8s n ILE 213 N -4.02 1.47 0.13 2.11 5.41 -0.86 -4.83 119.36 118.77 3i8s n ILE 213 Ca 0.13 0.11 0.11 0.00 1.00 0.00 0.00 62.75 64.10 3i8s n ILE 213 Cb 0.59 -2.28 -0.01 0.00 -0.71 0.00 0.00 39.64 37.24 3i8s n ILE 213 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3i8s n TYR 214 N -4.51 0.86 -0.26 1.39 4.01 -1.26 -3.96 117.16 113.43 3i8s n TYR 214 Ca -0.17 0.25 0.14 0.00 -0.16 0.00 0.00 57.90 57.96 3i8s n TYR 214 Cb 0.45 -0.90 0.42 0.00 -0.31 0.00 0.00 39.34 39.01 3i8s n TYR 214 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3i8s h SER 215 N 0.00 0.57 -0.81 7.72 0.02 -1.94 -1.67 113.55 117.45 3i8s h SER 215 Ca 0.00 0.04 0.19 0.00 -0.84 0.00 0.00 61.79 61.19 3i8s h SER 215 Cb 0.98 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.31 3i8s h SER 215 CO 0.00 0.27 0.04 0.03 -1.14 0.00 0.00 176.83 176.03 3i8s h ARG 216 N 0.59 0.11 0.00 3.45 3.08 -1.91 -0.38 114.38 119.32 3i8s h ARG 216 Ca 0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3i8s h ARG 216 Cb 0.87 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3i8s h ARG 216 CO -0.20 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.76 3i8s n ALA 217 N -2.94 1.43 -0.02 0.04 0.00 -0.63 -1.92 120.51 116.47 3i8s n ALA 217 Ca 0.16 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.78 3i8s n ALA 217 Cb 0.54 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 3i8s n ALA 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i8s n TYR 218 N -2.20 0.00 1.51 0.00 4.02 -0.23 -4.57 117.16 115.69 3i8s n TYR 218 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 3i8s n TYR 218 Cb 0.15 -0.52 0.52 0.00 -0.02 0.00 0.00 39.34 39.47 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 -2.26 2.57 -0.94 -0.72 0.00 -0.76 -4.83 120.51 113.57 3i8s n ALA 219 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3i8s n ALA 219 Cb 0.61 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.10 3.40 0.37 0.00 0.00 -1.19 -2.40 105.19 106.47 3i8s n GLY 220 Ca 0.18 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.23 3i8s n GLY 220 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i8s h GLU 221 N 0.00 0.00 -0.34 1.61 4.57 -1.91 -1.28 114.58 117.23 3i8s h GLU 221 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 3i8s h GLU 221 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3i8s h GLU 221 CO 0.00 0.00 0.29 0.00 -1.18 0.00 0.00 179.01 178.12 3i8s h ALA 222 N 1.63 2.15 -0.78 2.92 0.00 -1.63 0.26 119.26 123.82 3i8s h ALA 222 Ca 0.17 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3i8s h ALA 222 Cb 0.87 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3i8s h ALA 222 CO -0.00 -0.47 0.51 1.03 0.00 0.00 0.00 179.25 180.32 3i8s h SER 223 N 0.00 0.49 0.73 0.00 0.87 -1.41 -1.11 113.55 113.12 3i8s h SER 223 Ca 0.16 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3i8s h SER 223 Cb 0.75 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3i8s h SER 223 CO -0.00 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 176.56 3i8s n GLN 224 N -4.50 0.14 -0.02 2.24 6.02 0.08 -3.29 117.38 118.05 3i8s n GLN 224 Ca 0.14 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.23 3i8s n GLN 224 Cb 0.47 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.27 3i8s n GLN 224 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3i8s n HIS 225 N -1.42 0.05 -0.13 1.08 8.25 -0.45 -4.71 115.22 117.89 3i8s n HIS 225 Ca 0.09 -0.08 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3i8s n HIS 225 Cb 0.26 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 1.44 0.91 -0.54 2.41 5.85 -1.46 -2.61 115.31 121.32 3i8s h LEU 226 Ca 0.00 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 3i8s h LEU 226 Cb 0.37 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3i8s h LEU 226 CO 0.00 1.14 0.04 -0.78 -0.34 0.00 0.00 178.44 178.50 3i8s h ASP 227 N 0.69 0.90 -1.01 1.25 3.58 -1.84 -0.56 116.42 119.43 3i8s h ASP 227 Ca 0.08 -0.29 0.03 0.00 0.42 0.00 0.00 57.03 57.27 3i8s h ASP 227 Cb 0.83 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 3i8s h ASP 227 CO 0.07 0.97 0.66 0.00 -2.88 0.00 0.00 179.24 178.06 3i8s h ALA 228 N 0.97 1.32 -0.39 -0.78 0.00 -1.88 -0.02 119.26 118.48 3i8s h ALA 228 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i8s h ALA 228 Cb 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i8s h ALA 228 CO 0.02 0.60 0.19 0.00 0.00 0.00 0.00 179.25 180.05 3i8s h ALA 229 N 1.40 0.50 -0.34 0.00 0.00 -0.99 -1.60 119.26 118.23 3i8s h ALA 229 Ca 0.39 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3i8s h ALA 229 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i8s h ALA 229 CO -0.11 0.06 -0.13 -0.07 0.00 0.00 0.00 179.25 179.00 3i8s h LEU 230 N 0.49 0.57 -0.44 0.00 3.38 -0.81 -1.20 115.31 117.29 3i8s h LEU 230 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3i8s h LEU 230 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3i8s h LEU 230 CO -0.02 0.73 0.15 0.00 0.09 0.00 0.00 178.44 179.39 3i8s h ALA 231 N 1.33 0.58 -0.49 1.53 0.00 -0.83 -1.61 119.26 119.77 3i8s h ALA 231 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i8s h ALA 231 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3i8s h ALA 231 CO 0.03 0.22 0.32 0.00 0.00 0.00 0.00 179.25 179.82 3i8s h ARG 232 N 0.57 0.64 -0.09 0.00 3.08 -0.96 -2.95 114.38 114.67 3i8s h ARG 232 Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3i8s h ARG 232 Cb 0.25 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3i8s h ARG 232 CO -0.01 0.42 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.22 3i8s h LEU 233 N 0.66 0.11 -1.68 3.04 3.38 -1.05 -1.49 115.31 118.28 3i8s h LEU 233 Ca 0.18 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3i8s h LEU 233 Cb -0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3i8s h LEU 233 CO -0.04 0.17 0.36 -0.09 0.09 0.00 0.00 178.44 178.92 3i8s h ARG 234 N 0.13 0.37 0.00 1.13 2.43 -1.11 -0.62 114.38 116.70 3i8s h ARG 234 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i8s h ARG 234 Cb 0.14 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3i8s h ARG 234 CO 0.01 0.24 -0.49 0.09 -1.51 0.00 0.00 179.97 178.31 3i8s n ASN 235 N -4.47 0.73 -0.04 -3.80 3.02 -0.60 -4.28 115.26 105.82 3i8s n ASN 235 Ca 0.08 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3i8s n ASN 235 Cb 0.32 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.28 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 -2.16 0.67 -3.49 3.52 1.02 -0.61 -5.04 120.64 114.56 3i8s n GLU 236 Ca 0.04 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 3i8s n GLU 236 Cb 0.44 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.99 0.96 -0.03 3.49 0.23 -0.34 -4.98 119.30 115.63 3i8s s MET 237 Ca -0.08 -0.36 -0.24 0.00 -1.03 0.00 0.00 55.69 53.98 3i8s s MET 237 Cb 0.10 0.44 -0.18 0.00 -1.53 0.00 0.00 34.83 33.65 3i8s s MET 237 CO 0.86 -0.42 1.12 0.38 -2.03 0.00 0.00 175.02 174.93 3i8s h ASP 238 N 2.00 -0.14 -2.52 -1.18 2.03 -1.86 -3.40 116.42 111.35 3i8s h ASP 238 Ca -0.25 -0.38 -0.41 0.00 -0.73 0.00 0.00 57.03 55.25 3i8s h ASP 238 Cb 1.26 0.04 -0.37 0.00 -0.83 0.00 0.00 39.33 39.43 3i8s h ASP 238 CO 0.33 0.35 -0.70 -0.62 -1.03 0.00 0.00 179.24 177.57 3i8s s ASP 239 N -5.49 2.37 0.29 4.15 -1.08 -1.26 -4.98 116.67 110.67 3i8s s ASP 239 Ca -0.15 -0.85 0.01 0.00 -0.52 0.00 0.00 52.55 51.05 3i8s s ASP 239 Cb 0.01 0.11 0.46 0.00 -1.46 0.00 0.00 42.92 42.04 3i8s s ASP 239 CO 0.58 -0.39 1.80 -0.65 0.52 0.00 0.00 175.17 177.03 3i8s h PRO 240 N 8.34 0.64 -0.23 4.34 0.11 -1.91 -1.81 132.00 141.47 3i8s h PRO 240 Ca -0.17 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3i8s h PRO 240 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3i8s h PRO 240 CO 0.36 0.68 0.08 0.00 -0.21 0.00 0.00 178.00 178.91 3i8s h ALA 241 N 1.37 0.30 -0.40 -0.75 0.00 -1.79 -0.25 119.26 117.74 3i8s h ALA 241 Ca 0.12 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3i8s h ALA 241 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3i8s h ALA 241 CO 0.02 -0.07 0.15 1.25 0.00 0.00 0.00 179.25 180.60 3i8s h LEU 242 N 0.21 0.17 -1.14 0.00 6.46 -1.86 -1.83 115.31 117.33 3i8s h LEU 242 Ca 0.08 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3i8s h LEU 242 Cb 0.23 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3i8s h LEU 242 CO -0.00 0.14 -0.03 0.45 -0.62 0.00 0.00 178.44 178.37 3i8s h HIS 243 N 0.32 0.60 -0.24 1.25 3.86 -1.19 0.13 115.15 119.87 3i8s h HIS 243 Ca 0.18 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 3i8s h HIS 243 Cb 0.16 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 3i8s h HIS 243 CO -0.14 0.60 -0.26 0.82 0.86 0.00 0.00 177.93 179.80 3i8s h ILE 244 N 0.54 1.32 -0.33 2.45 2.04 -0.60 -1.77 117.51 121.16 3i8s h ILE 244 Ca 0.11 -1.44 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 3i8s h ILE 244 Cb 0.39 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3i8s h ILE 244 CO 0.02 0.45 -0.18 0.00 0.00 0.00 0.00 178.15 178.44 3i8s h ALA 245 N 0.67 0.47 -0.37 1.87 0.00 -1.21 -2.45 119.26 118.23 3i8s h ALA 245 Ca 0.04 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3i8s h ALA 245 Cb 0.83 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3i8s h ALA 245 CO 0.06 0.39 0.11 -0.44 0.00 0.00 0.00 179.25 179.38 3i8s h ASP 246 N 0.47 0.10 -0.61 0.00 3.32 -0.73 -1.16 116.42 117.81 3i8s h ASP 246 Ca 0.07 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.24 3i8s h ASP 246 Cb 0.72 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 3i8s h ASP 246 CO 0.05 0.09 0.29 0.00 -1.72 0.00 0.00 179.24 177.95 3i8s h ALA 247 N 1.25 0.80 -0.37 3.45 0.00 -1.22 -0.12 119.26 123.04 3i8s h ALA 247 Ca 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3i8s h ALA 247 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i8s h ALA 247 CO -0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 179.25 178.95 3i8s h ARG 248 N 0.53 0.68 -0.14 0.00 3.08 -1.14 -2.03 114.38 115.35 3i8s h ARG 248 Ca 0.29 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3i8s h ARG 248 Cb 0.26 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3i8s h ARG 248 CO -0.23 0.80 0.04 -0.92 -1.07 0.00 0.00 179.97 178.59 3i8s h TYR 249 N 0.49 0.06 -0.47 3.04 3.20 -0.87 -1.07 116.97 121.34 3i8s h TYR 249 Ca 0.10 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.08 3i8s h TYR 249 Cb 0.51 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 3i8s h TYR 249 CO 0.04 0.03 -0.16 0.37 -1.64 0.00 0.00 178.16 176.80 3i8s h GLN 250 N 0.10 -0.05 0.25 1.82 4.15 -1.00 0.25 115.11 120.63 3i8s h GLN 250 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3i8s h GLN 250 Cb 0.05 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3i8s h GLN 250 CO -0.08 -0.03 -0.23 0.00 -1.93 0.00 0.00 178.83 176.56 3i8s h ILE 252 N -0.50 1.28 -0.78 0.00 2.04 -0.76 -1.77 117.51 117.02 3i8s h ILE 252 Ca -0.01 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.72 3i8s h ILE 252 Cb 0.46 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3i8s h ILE 252 CO -0.04 0.38 0.51 0.00 0.00 0.00 0.00 178.15 179.00 3i8s h ALA 253 N 0.83 1.01 -0.42 1.87 0.00 -0.52 -0.71 119.26 121.31 3i8s h ALA 253 Ca 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i8s h ALA 253 Cb 0.59 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3i8s h ALA 253 CO 0.04 0.36 0.24 0.00 0.00 0.00 0.00 179.25 179.89 3i8s h ALA 254 N 1.31 0.53 -0.07 0.00 0.00 -1.01 0.16 119.26 120.18 3i8s h ALA 254 Ca 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i8s h ALA 254 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i8s h ALA 254 CO -0.08 -0.10 0.03 0.82 0.00 0.00 0.00 179.25 179.92 3i8s h ILE 255 N 0.48 1.09 -0.85 0.00 2.04 -0.91 -2.84 117.51 116.52 3i8s h ILE 255 Ca 0.17 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3i8s h ILE 255 Cb 0.03 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3i8s h ILE 255 CO -0.09 0.08 0.46 0.00 0.00 0.00 0.00 178.15 178.60 3i8s h ASP 257 N 1.20 0.70 0.11 0.00 3.32 -0.90 -1.40 116.42 119.44 3i8s h ASP 257 Ca 0.30 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 3i8s h ASP 257 Cb 0.05 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.47 3i8s h ASP 257 CO -0.05 0.46 -0.62 0.58 -1.72 0.00 0.00 179.24 177.89 3i8s h VAL 258 N 0.80 1.58 0.00 -1.35 2.07 -1.16 -3.39 116.25 114.79 3i8s h VAL 258 Ca 0.31 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.34 3i8s h VAL 258 Cb 0.21 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3i8s h VAL 258 CO -0.10 0.69 -0.94 1.33 0.02 0.00 0.00 177.57 178.57 3i8s n VAL 259 N -4.24 0.27 -4.21 2.57 0.24 -0.22 -4.90 118.33 107.84 3i8s n VAL 259 Ca -0.13 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.34 61.68 3i8s n VAL 259 Cb 0.74 0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.03 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 -4.19 1.91 0.00 -1.34 0.15 -0.54 0.04 113.70 109.73 3i8s s SER 260 Ca 0.04 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3i8s s SER 260 Cb 0.14 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 3i8s s SER 260 CO 0.78 -0.05 0.00 -3.20 1.20 0.00 0.00 173.24 171.97