#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8x h LYS 2 N 0.00 1.17 -6.33 0.03 3.64 -1.95 -3.43 116.57 109.70 3i8x h LYS 2 Ca 0.00 -0.09 -0.55 0.00 -1.27 0.00 0.00 60.65 58.74 3i8x h LYS 2 Cb 0.00 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 3i8x h LYS 2 CO 0.00 0.80 0.45 0.21 -2.27 0.00 0.00 179.45 178.64 3i8x s LYS 3 N -6.05 4.49 0.01 1.90 2.20 -1.26 -1.45 119.74 119.58 3i8x s LYS 3 Ca -0.13 1.39 0.04 0.00 -0.36 0.00 0.00 55.97 56.91 3i8x s LYS 3 Cb 0.16 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 3i8x s LYS 3 CO 0.81 -0.17 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.34 3i8x s LEU 4 N 1.46 2.10 -0.18 5.43 2.96 -0.27 -4.94 118.68 125.23 3i8x s LEU 4 Ca 0.50 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3i8x s LEU 4 Cb -0.20 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 3i8x s LEU 4 CO 0.23 0.08 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.39 3i8x s THR 5 N -0.57 3.50 -0.07 3.68 2.01 -1.26 -0.61 115.64 122.33 3i8x s THR 5 Ca 0.02 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.59 3i8x s THR 5 Cb -0.06 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.90 3i8x s THR 5 CO 0.00 0.46 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.56 3i8x s ILE 6 N 0.89 1.74 -0.11 1.82 1.01 0.19 -0.35 121.20 126.38 3i8x s ILE 6 Ca -0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 3i8x s ILE 6 Cb -0.15 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 3i8x s ILE 6 CO 0.01 0.49 0.26 -0.83 0.00 0.00 0.00 174.94 174.87 3i8x s GLY 7 N 0.18 2.24 -0.32 6.18 0.00 -0.96 -1.14 107.32 113.50 3i8x s GLY 7 Ca -0.10 -0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.04 3i8x s GLY 7 CO 0.05 0.09 0.16 -2.27 0.00 0.00 0.00 173.10 171.12 3i8x s LEU 8 N -0.36 4.20 -0.04 0.66 2.96 0.53 -1.31 118.68 125.33 3i8x s LEU 8 Ca 0.17 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3i8x s LEU 8 Cb -0.13 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3i8x s LEU 8 CO 0.05 -0.23 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.16 3i8x s ILE 9 N 1.59 1.48 -0.02 6.68 1.10 -0.49 -1.30 121.20 130.24 3i8x s ILE 9 Ca 0.04 -0.76 -0.29 0.00 -0.51 0.00 0.00 60.65 59.13 3i8x s ILE 9 Cb -0.17 -1.25 0.11 0.00 0.15 0.00 0.00 42.46 41.29 3i8x s ILE 9 CO 0.06 0.42 1.29 -0.83 -2.11 0.00 0.00 174.94 173.78 3i8x s GLY 10 N -0.11 -0.27 0.81 1.50 0.00 -1.26 -0.83 107.32 107.16 3i8x s GLY 10 Ca -0.01 0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 3i8x s GLY 10 CO 0.01 2.84 1.09 -1.31 0.00 0.00 0.00 173.10 175.73 3i8x s ASN 11 N -3.39 4.19 0.57 1.64 0.02 -1.18 -1.17 114.94 115.60 3i8x s ASN 11 Ca 0.22 1.75 -0.20 0.00 -1.02 0.00 0.00 52.86 53.60 3i8x s ASN 11 Cb 0.02 -2.43 -0.05 0.00 0.02 0.00 0.00 41.25 38.81 3i8x s ASN 11 CO -0.02 -2.23 1.15 -2.65 0.02 0.00 0.00 177.10 173.37 3i8x n PRO 12 N -3.64 1.26 -3.93 -0.60 -0.02 -1.26 -3.11 135.00 123.70 3i8x n PRO 12 Ca 0.09 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3i8x n PRO 12 Cb 0.54 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3i8x n PRO 12 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i8x n ASN 13 N -0.82 -4.22 -0.00 2.55 5.15 -1.26 -4.86 115.26 111.80 3i8x n ASN 13 Ca 0.12 -0.81 0.08 0.00 -0.60 0.00 0.00 54.58 53.37 3i8x n ASN 13 Cb 0.45 -3.78 -0.10 0.00 -0.53 0.00 0.00 39.78 35.82 3i8x n ASN 13 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3i8x n SER 14 N -2.84 0.86 0.00 1.20 3.41 -1.18 -4.98 113.62 110.09 3i8x n SER 14 Ca 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3i8x n SER 14 Cb 0.54 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 3i8x n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8x n GLY 15 N 1.42 1.37 0.30 5.00 0.00 -1.26 -4.40 105.19 107.62 3i8x n GLY 15 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 3i8x n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8x h LYS 16 N 0.72 0.93 -0.25 1.61 1.57 -1.94 -2.08 116.57 117.14 3i8x h LYS 16 Ca 0.00 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3i8x h LYS 16 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3i8x h LYS 16 CO 0.00 0.61 -0.02 1.15 -0.57 0.00 0.00 179.45 180.62 3i8x h THR 17 N 0.95 1.27 -0.25 -0.16 2.02 -1.98 -0.34 112.91 114.41 3i8x h THR 17 Ca 0.31 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3i8x h THR 17 Cb 0.02 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3i8x h THR 17 CO -0.12 0.30 0.13 0.74 0.37 0.00 0.00 175.52 176.95 3i8x h THR 18 N 0.21 1.13 -0.43 3.16 2.02 -1.90 0.31 112.91 117.40 3i8x h THR 18 Ca 0.07 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3i8x h THR 18 Cb 0.45 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3i8x h THR 18 CO 0.02 0.13 0.25 0.25 0.37 0.00 0.00 175.52 176.54 3i8x h LEU 19 N 0.29 0.53 -0.41 2.58 5.85 -1.40 -1.01 115.31 121.74 3i8x h LEU 19 Ca 0.09 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3i8x h LEU 19 Cb 0.08 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3i8x h LEU 19 CO -0.01 0.44 0.03 0.15 -0.34 0.00 0.00 178.44 178.71 3i8x h PHE 20 N 0.57 0.04 -0.69 1.25 3.57 -0.67 -1.30 116.94 119.71 3i8x h PHE 20 Ca 0.15 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3i8x h PHE 20 Cb 0.01 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3i8x h PHE 20 CO -0.03 -0.04 0.19 -0.91 -2.23 0.00 0.00 178.31 175.28 3i8x h ASN 21 N 0.15 1.04 -0.74 0.41 2.35 -0.75 -1.53 115.58 116.50 3i8x h ASN 21 Ca 0.20 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3i8x h ASN 21 Cb 0.27 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3i8x h ASN 21 CO -0.30 0.99 0.49 1.56 -1.65 0.00 0.00 177.43 178.51 3i8x h GLN 22 N 1.03 0.86 0.05 0.81 1.08 -0.83 -0.97 115.11 117.14 3i8x h GLN 22 Ca 0.22 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 3i8x h GLN 22 Cb 0.35 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3i8x h GLN 22 CO -0.00 0.57 -0.50 -0.07 -0.95 0.00 0.00 178.83 177.88 3i8x h LEU 23 N 0.89 0.35 0.00 1.46 3.38 -0.91 -3.39 115.31 117.09 3i8x h LEU 23 Ca 0.30 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3i8x h LEU 23 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i8x h LEU 23 CO -0.09 1.18 -1.40 0.35 0.09 0.00 0.00 178.44 178.58 3i8x n THR 24 N -4.32 0.02 0.00 0.22 -2.24 -0.61 -4.66 114.28 102.70 3i8x n THR 24 Ca -0.11 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3i8x n THR 24 Cb 0.65 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3i8x n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8x n GLY 25 N 1.39 3.21 0.02 3.38 0.00 -0.37 -0.88 105.19 111.95 3i8x n GLY 25 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3i8x n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8x n SER 26 N 3.54 0.26 -3.40 1.61 3.41 -1.26 -4.48 113.62 113.29 3i8x n SER 26 Ca 0.00 0.41 -0.39 0.00 -0.26 0.00 0.00 58.87 58.63 3i8x n SER 26 Cb 0.00 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 3i8x n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i8x n ARG 27 N -1.68 3.49 -4.14 4.33 1.74 -0.05 -4.86 116.66 115.48 3i8x n ARG 27 Ca 0.06 -2.27 -0.09 0.00 -0.77 0.00 0.00 57.85 54.78 3i8x n ARG 27 Cb 0.36 -2.90 -0.10 0.00 -1.02 0.00 0.00 32.46 28.80 3i8x n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3i8x s GLN 28 N 2.43 0.86 0.01 5.56 -2.07 -1.26 -0.70 119.66 124.48 3i8x s GLN 28 Ca 0.64 -1.39 0.01 0.00 -1.82 0.00 0.00 55.36 52.80 3i8x s GLN 28 Cb 0.17 0.19 -0.01 0.00 -1.09 0.00 0.00 33.01 32.28 3i8x s GLN 28 CO -0.07 -0.21 -0.04 1.03 -1.32 0.00 0.00 175.29 174.68 3i8x s ARG 29 N -4.01 0.29 -0.29 9.60 0.52 0.73 -4.98 118.95 120.83 3i8x s ARG 29 Ca 0.20 -0.25 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 3i8x s ARG 29 Cb 0.07 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.35 3i8x s ARG 29 CO -0.01 0.05 0.05 0.08 0.02 0.00 0.00 175.30 175.49 3i8x s VAL 30 N -0.40 3.73 0.00 3.52 1.01 -1.26 -1.83 120.40 125.16 3i8x s VAL 30 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3i8x s VAL 30 Cb -0.03 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3i8x s VAL 30 CO -0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3i8x n GLY 31 N 4.82 4.94 3.06 4.51 0.00 0.02 -4.97 105.19 117.57 3i8x n GLY 31 Ca -0.15 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 3i8x n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8x s ASN 32 N 0.78 0.50 0.39 1.61 4.22 -1.26 -1.51 114.94 119.67 3i8x s ASN 32 Ca 0.00 -0.82 -0.25 0.00 -2.14 0.00 0.00 52.86 49.66 3i8x s ASN 32 Cb 0.00 0.15 -0.09 0.00 1.28 0.00 0.00 41.25 42.59 3i8x s ASN 32 CO 0.00 -0.47 1.09 0.26 -2.04 0.00 0.00 177.10 175.95 3i8x s TRP 33 N -2.97 3.21 -0.36 1.54 0.52 -0.72 -4.67 118.94 115.50 3i8x s TRP 33 Ca -0.01 1.62 -0.39 0.00 0.02 0.00 0.00 56.10 57.34 3i8x s TRP 33 Cb 0.01 -3.23 -0.15 0.00 -1.15 0.00 0.00 33.47 28.95 3i8x s TRP 33 CO -0.06 -0.88 2.00 0.00 0.02 0.00 0.00 176.95 178.03 3i8x n ALA 34 N 0.03 0.37 -0.37 0.98 0.00 -1.26 -1.56 120.51 118.71 3i8x n ALA 34 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3i8x n ALA 34 Cb 0.48 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3i8x n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8x n GLY 35 N 5.82 2.02 3.54 0.00 0.00 -1.26 -5.01 105.19 110.29 3i8x n GLY 35 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 3i8x n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8x s VAL 36 N -3.28 2.78 -1.06 1.61 -7.23 -0.60 -5.03 120.40 107.58 3i8x s VAL 36 Ca 0.00 -2.21 0.29 0.00 -1.81 0.00 0.00 61.98 58.25 3i8x s VAL 36 Cb 0.00 -2.53 0.28 0.00 0.56 0.00 0.00 36.38 34.70 3i8x s VAL 36 CO 0.00 -0.37 1.94 0.35 -0.31 0.00 0.00 175.10 176.72 3i8x n THR 37 N -0.74 0.01 -1.97 5.32 -2.24 -1.26 -4.33 114.28 109.07 3i8x n THR 37 Ca -0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3i8x n THR 37 Cb 0.60 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3i8x n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i8x s VAL 38 N -2.94 2.71 0.33 2.28 1.01 -1.26 -4.95 120.40 117.60 3i8x s VAL 38 Ca 0.16 0.51 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 3i8x s VAL 38 Cb 0.19 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 3i8x s VAL 38 CO 0.52 0.04 1.27 -0.70 0.00 0.00 0.00 175.10 176.23 3i8x s GLU 39 N 1.11 4.34 -0.31 2.72 2.12 -1.26 -1.75 118.70 125.68 3i8x s GLU 39 Ca 0.69 2.13 0.01 0.00 0.36 0.00 0.00 54.97 58.17 3i8x s GLU 39 Cb -0.43 -3.04 0.09 0.00 0.26 0.00 0.00 34.13 31.02 3i8x s GLU 39 CO 0.31 -0.17 0.05 0.50 -0.54 0.00 0.00 175.26 175.41 3i8x s ARG 40 N -1.82 1.21 -0.19 4.30 3.52 -0.57 -4.66 118.95 120.75 3i8x s ARG 40 Ca 0.49 -1.37 -0.14 0.00 -0.13 0.00 0.00 55.73 54.58 3i8x s ARG 40 Cb -0.38 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3i8x s ARG 40 CO 0.50 -0.89 0.32 0.15 -0.81 0.00 0.00 175.30 174.58 3i8x s LYS 41 N 1.29 4.21 0.01 5.12 1.02 -1.26 -0.80 119.74 129.32 3i8x s LYS 41 Ca 0.07 0.10 0.05 0.00 0.02 0.00 0.00 55.97 56.21 3i8x s LYS 41 Cb -0.18 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 3i8x s LYS 41 CO -0.14 0.10 -0.15 -2.00 -0.92 0.00 0.00 175.35 172.24 3i8x s GLU 42 N 0.88 1.12 0.29 1.68 2.12 -0.76 -1.25 118.70 122.78 3i8x s GLU 42 Ca 0.17 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 54.85 3i8x s GLU 42 Cb -0.14 -1.11 -0.02 0.00 0.26 0.00 0.00 34.13 33.12 3i8x s GLU 42 CO 0.06 0.29 0.31 0.20 -0.54 0.00 0.00 175.26 175.58 3i8x s GLY 43 N -0.71 1.70 -0.01 -1.50 0.00 0.16 -0.19 107.32 106.77 3i8x s GLY 43 Ca 0.04 -1.71 0.04 0.00 0.00 0.00 0.00 44.72 43.10 3i8x s GLY 43 CO 0.00 -1.24 -0.15 1.20 0.00 0.00 0.00 173.10 172.92 3i8x s GLN 44 N -3.57 1.20 0.22 2.90 -1.52 0.12 -1.06 119.66 117.96 3i8x s GLN 44 Ca 0.36 -0.52 -0.16 0.00 -1.95 0.00 0.00 55.36 53.09 3i8x s GLN 44 Cb 0.03 -1.15 0.01 0.00 -0.22 0.00 0.00 33.01 31.67 3i8x s GLN 44 CO 0.20 0.31 0.51 -0.59 -0.25 0.00 0.00 175.29 175.46 3i8x s PHE 45 N -0.31 0.09 0.25 0.91 -0.71 -0.85 -4.42 117.98 112.93 3i8x s PHE 45 Ca 0.05 -0.45 0.11 0.00 -1.04 0.00 0.00 56.93 55.60 3i8x s PHE 45 Cb -0.06 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 42.03 3i8x s PHE 45 CO -0.00 -0.97 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.22 3i8x s SER 46 N -2.94 3.87 0.25 1.98 1.04 -1.26 0.06 113.70 116.70 3i8x s SER 46 Ca 0.15 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.73 3i8x s SER 46 Cb -0.01 -0.47 -0.00 0.00 0.10 0.00 0.00 66.02 65.64 3i8x s SER 46 CO 0.03 0.05 0.01 0.35 0.98 0.00 0.00 173.24 174.66 3i8x n THR 47 N -0.43 0.00 -0.02 2.02 -2.24 0.11 -4.96 114.28 108.76 3i8x n THR 47 Ca -0.07 -1.23 -0.09 0.00 -2.27 0.00 0.00 64.05 60.39 3i8x n THR 47 Cb 0.58 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3i8x n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i8x h THR 48 N 1.16 0.67 -0.01 4.28 2.02 -2.01 -3.26 112.91 115.75 3i8x h THR 48 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3i8x h THR 48 Cb 0.65 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3i8x h THR 48 CO 0.34 0.00 -0.57 0.47 0.37 0.00 0.00 175.52 176.14 3i8x n ASP 49 N -5.26 1.72 -3.92 4.18 8.00 -1.26 -5.04 116.55 114.97 3i8x n ASP 49 Ca -0.02 -1.34 -0.11 0.00 0.71 0.00 0.00 54.79 54.03 3i8x n ASP 49 Cb 0.18 0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 41.72 3i8x n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i8x s HIS 50 N -2.60 0.11 -0.31 1.24 3.76 -1.23 -4.59 115.29 111.67 3i8x s HIS 50 Ca 0.17 -0.23 -0.14 0.00 -0.15 0.00 0.00 55.06 54.70 3i8x s HIS 50 Cb 0.18 -0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 3i8x s HIS 50 CO 0.63 -0.12 0.33 -1.14 -0.85 0.00 0.00 174.74 173.59 3i8x s GLN 51 N -0.80 3.73 -0.11 1.40 2.00 -0.53 -0.71 119.66 124.64 3i8x s GLN 51 Ca -0.09 -0.31 -0.03 0.00 -2.00 0.00 0.00 55.36 52.93 3i8x s GLN 51 Cb -0.05 -3.75 -0.03 0.00 0.80 0.00 0.00 33.01 29.98 3i8x s GLN 51 CO -0.00 -0.41 0.02 0.08 -0.50 0.00 0.00 175.29 174.48 3i8x s VAL 52 N 1.97 4.43 -0.21 1.34 1.01 0.11 -1.11 120.40 127.94 3i8x s VAL 52 Ca 0.11 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3i8x s VAL 52 Cb -0.16 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3i8x s VAL 52 CO 0.11 0.58 0.08 -0.89 0.00 0.00 0.00 175.10 174.97 3i8x s THR 53 N -0.61 4.73 -0.23 3.92 2.01 0.22 -2.01 115.64 123.67 3i8x s THR 53 Ca 0.10 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 3i8x s THR 53 Cb -0.12 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 3i8x s THR 53 CO 0.02 0.41 0.00 -0.22 -0.69 0.00 0.00 174.62 174.14 3i8x s LEU 54 N 0.81 3.10 -0.24 4.42 2.96 -0.22 -0.64 118.68 128.87 3i8x s LEU 54 Ca 0.04 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3i8x s LEU 54 Cb -0.13 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3i8x s LEU 54 CO 0.02 -0.02 0.03 -0.69 -1.32 0.00 0.00 176.35 174.37 3i8x s VAL 55 N 1.52 4.00 -0.13 1.68 1.01 -0.29 -0.67 120.40 127.53 3i8x s VAL 55 Ca 0.06 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 3i8x s VAL 55 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3i8x s VAL 55 CO -0.01 0.36 0.93 -0.62 0.00 0.00 0.00 175.10 175.76 3i8x s ASP 56 N 1.57 7.13 0.22 3.32 2.15 -0.38 -0.34 116.67 130.34 3i8x s ASP 56 Ca 0.06 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.43 3i8x s ASP 56 Cb -0.15 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 3i8x s ASP 56 CO 0.01 -0.41 0.40 -0.76 -0.17 0.00 0.00 175.17 174.24 3i8x s LEU 57 N 2.00 4.22 0.27 -1.34 1.43 -0.42 -4.35 118.68 120.49 3i8x s LEU 57 Ca 0.44 0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 53.59 3i8x s LEU 57 Cb -0.18 -3.13 -0.12 0.00 0.03 0.00 0.00 46.19 42.79 3i8x s LEU 57 CO 0.16 -0.07 1.61 -2.65 0.23 0.00 0.00 176.35 175.62 3i8x n PRO 58 N -0.88 2.66 -1.63 1.29 -0.02 -1.26 -4.87 135.00 130.30 3i8x n PRO 58 Ca -0.05 0.95 -0.44 0.00 -2.02 0.00 0.00 63.50 61.94 3i8x n PRO 58 Cb 0.54 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 3i8x n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8x n GLY 59 N 2.48 0.00 3.49 -1.23 0.00 -1.26 -4.80 105.19 103.87 3i8x n GLY 59 Ca 0.10 0.30 -0.17 0.00 0.00 0.00 0.00 46.02 46.25 3i8x n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i8x s THR 60 N -1.10 0.01 -0.38 2.61 -1.32 -0.32 -4.64 115.64 110.49 3i8x s THR 60 Ca 0.58 -0.05 0.23 0.00 -1.21 0.00 0.00 61.69 61.24 3i8x s THR 60 Cb -0.64 -0.97 0.07 0.00 -1.51 0.00 0.00 72.50 69.45 3i8x s THR 60 CO 0.60 -0.03 1.22 1.88 -2.21 0.00 0.00 174.62 176.09 3i8x h TYR 61 N 3.03 0.00 -2.26 9.09 0.05 -1.95 -3.13 116.97 121.80 3i8x h TYR 61 Ca -0.28 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.43 3i8x h TYR 61 Cb 1.15 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.68 3i8x h TYR 61 CO 0.39 0.00 0.01 0.45 -1.05 0.00 0.00 178.16 177.96 3i8x s SER 62 N -5.18 -0.62 0.27 3.88 0.15 -1.26 -3.74 113.70 107.20 3i8x s SER 62 Ca 0.03 1.12 0.25 0.00 0.70 0.00 0.00 55.95 58.04 3i8x s SER 62 Cb 0.10 1.12 0.97 0.00 -1.71 0.00 0.00 66.02 66.50 3i8x s SER 62 CO 0.75 -0.27 1.74 0.18 1.20 0.00 0.00 173.24 176.83 3i8x n LEU 63 N 2.45 0.74 -4.10 3.45 4.77 -1.26 -4.84 117.00 118.21 3i8x n LEU 63 Ca -0.15 0.66 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 3i8x n LEU 63 Cb 0.56 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3i8x n LEU 63 CO 0.09 -0.52 -0.33 0.42 -1.33 0.00 0.00 177.39 175.72 3i8x s THR 64 N -3.30 0.19 0.00 -5.08 -4.23 -1.26 -4.55 115.64 97.41 3i8x s THR 64 Ca 0.05 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 3i8x s THR 64 Cb 0.10 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 3i8x s THR 64 CO 0.43 -0.86 -0.07 0.28 -0.54 0.00 0.00 174.62 173.87 3i8x s THR 65 N -3.95 0.53 -2.54 3.99 -1.32 -1.26 -5.03 115.64 106.06 3i8x s THR 65 Ca 0.11 -0.38 0.25 0.00 -1.21 0.00 0.00 61.69 60.46 3i8x s THR 65 Cb 0.08 -0.47 0.46 0.00 -1.51 0.00 0.00 72.50 71.06 3i8x s THR 65 CO -0.07 0.08 1.59 2.30 -2.21 0.00 0.00 174.62 176.31 3i8x n ILE 66 N 2.73 0.08 -1.64 5.08 -5.35 -1.26 -4.48 119.36 114.52 3i8x n ILE 66 Ca -0.14 -0.35 -0.29 0.00 -0.27 0.00 0.00 62.75 61.70 3i8x n ILE 66 Cb 0.57 0.69 0.16 0.00 -1.74 0.00 0.00 39.64 39.32 3i8x n ILE 66 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3i8x s SER 67 N -1.87 3.17 0.00 7.28 1.04 -1.26 -4.92 113.70 117.14 3i8x s SER 67 Ca 0.35 0.68 0.25 0.00 0.48 0.00 0.00 55.95 57.71 3i8x s SER 67 Cb 0.20 -1.04 0.43 0.00 0.10 0.00 0.00 66.02 65.72 3i8x s SER 67 CO 0.31 -2.73 1.36 -1.54 0.98 0.00 0.00 173.24 171.62 3i8x n SER 68 N -3.84 0.55 -3.82 7.02 3.41 -1.26 -4.68 113.62 110.99 3i8x n SER 68 Ca 0.10 -0.31 -0.28 0.00 -0.26 0.00 0.00 58.87 58.12 3i8x n SER 68 Cb 0.60 0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 64.70 3i8x n SER 68 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i8x s GLN 69 N -3.00 1.05 0.14 4.33 0.74 -1.26 -5.06 119.66 116.59 3i8x s GLN 69 Ca 0.11 -0.59 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 3i8x s GLN 69 Cb 0.17 -2.20 -0.07 0.00 1.10 0.00 0.00 33.01 32.01 3i8x s GLN 69 CO 0.72 -0.59 1.19 0.99 -0.55 0.00 0.00 175.29 177.05 3i8x s THR 70 N 1.69 3.78 0.92 -0.34 2.01 -1.26 -5.03 115.64 117.41 3i8x s THR 70 Ca -0.02 1.40 -0.13 0.00 0.31 0.00 0.00 61.69 63.26 3i8x s THR 70 Cb -0.17 -3.90 0.05 0.00 0.01 0.00 0.00 72.50 68.49 3i8x s THR 70 CO -0.07 0.18 0.56 -1.54 -0.69 0.00 0.00 174.62 173.06 3i8x n SER 71 N 3.06 -1.52 -0.14 3.53 3.41 -1.26 -4.83 113.62 115.86 3i8x n SER 71 Ca 0.06 0.38 -0.08 0.00 -0.26 0.00 0.00 58.87 58.97 3i8x n SER 71 Cb 0.45 -1.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.15 3i8x n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i8x h LEU 72 N -1.47 0.51 -0.19 1.04 3.38 -2.00 -2.73 115.31 113.85 3i8x h LEU 72 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i8x h LEU 72 Cb 1.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3i8x h LEU 72 CO 0.36 0.37 0.13 0.44 0.09 0.00 0.00 178.44 179.83 3i8x h ASP 73 N 0.59 0.22 -0.57 -0.43 3.32 -1.93 -1.39 116.42 116.24 3i8x h ASP 73 Ca 0.16 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3i8x h ASP 73 Cb -0.06 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3i8x h ASP 73 CO -0.03 0.16 0.37 -0.33 -1.72 0.00 0.00 179.24 177.69 3i8x h GLU 74 N 0.26 0.74 -0.70 3.56 5.08 -1.86 -1.07 114.58 120.59 3i8x h GLU 74 Ca 0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3i8x h GLU 74 Cb -0.03 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3i8x h GLU 74 CO -0.02 0.49 0.44 1.96 -1.00 0.00 0.00 179.01 180.89 3i8x h GLN 75 N 0.76 0.84 0.03 2.33 4.20 -1.23 0.14 115.11 122.19 3i8x h GLN 75 Ca 0.21 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3i8x h GLN 75 Cb -0.08 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.51 3i8x h GLN 75 CO -0.05 0.56 -0.01 0.82 -0.67 0.00 0.00 178.83 179.47 3i8x h ILE 76 N 0.87 1.15 -0.26 2.54 2.04 -0.91 -0.57 117.51 122.37 3i8x h ILE 76 Ca 0.28 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3i8x h ILE 76 Cb 0.01 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3i8x h ILE 76 CO -0.10 0.14 0.15 0.00 0.00 0.00 0.00 178.15 178.34 3i8x h ALA 77 N 0.68 0.34 -0.11 1.87 0.00 -1.00 -1.51 119.26 119.52 3i8x h ALA 77 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i8x h ALA 77 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i8x h ALA 77 CO 0.01 -0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.16 3i8x h HIS 79 N 0.03 1.00 -0.31 0.00 6.17 -1.00 -0.78 115.15 120.27 3i8x h HIS 79 Ca 0.04 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.05 3i8x h HIS 79 Cb 0.14 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.73 3i8x h HIS 79 CO -0.02 0.53 -0.16 -0.92 0.71 0.00 0.00 177.93 178.06 3i8x h TYR 80 N 0.99 0.76 -0.31 5.26 3.20 -0.92 -2.80 116.97 123.16 3i8x h TYR 80 Ca 0.37 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3i8x h TYR 80 Cb 0.19 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3i8x h TYR 80 CO -0.00 0.89 0.16 0.82 -1.64 0.00 0.00 178.16 178.39 3i8x h ILE 81 N 0.41 1.14 0.00 1.81 1.08 -0.39 -2.73 117.51 118.83 3i8x h ILE 81 Ca 0.07 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3i8x h ILE 81 Cb 0.69 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3i8x h ILE 81 CO 0.05 0.14 0.00 0.18 -0.69 0.00 0.00 178.15 177.83 3i8x n LEU 82 N -4.80 0.75 0.25 1.44 4.77 -0.37 -3.37 117.00 115.68 3i8x n LEU 82 Ca -0.02 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3i8x n LEU 82 Cb 0.08 -0.49 0.60 0.00 -2.33 0.00 0.00 43.42 41.28 3i8x n LEU 82 CO 0.35 -0.45 0.90 0.77 -1.33 0.00 0.00 177.39 177.64 3i8x h SER 83 N 0.00 0.00 -0.95 -1.43 4.64 -1.20 -3.47 113.55 111.15 3i8x h SER 83 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3i8x h SER 83 Cb 0.50 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.51 3i8x h SER 83 CO 0.00 0.13 -0.26 0.61 -0.87 0.00 0.00 176.83 176.44 3i8x n GLY 84 N -0.05 0.90 0.17 -0.77 0.00 -1.22 -4.93 105.19 99.30 3i8x n GLY 84 Ca -0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 3i8x n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i8x h ASP 85 N 0.00 0.61 -3.64 1.61 3.32 -1.87 -3.44 116.42 113.01 3i8x h ASP 85 Ca -0.27 -0.57 -0.51 0.00 0.02 0.00 0.00 57.03 55.71 3i8x h ASP 85 Cb 0.93 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3i8x h ASP 85 CO 0.37 1.06 0.40 0.00 -1.72 0.00 0.00 179.24 179.35 3i8x s ALA 86 N -3.97 3.32 0.23 3.45 0.00 -1.26 -4.79 121.76 118.74 3i8x s ALA 86 Ca -0.13 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.57 3i8x s ALA 86 Cb 0.06 -3.29 0.22 0.00 0.00 0.00 0.00 23.12 20.12 3i8x s ALA 86 CO 0.81 -0.03 1.53 -0.44 0.00 0.00 0.00 175.76 177.64 3i8x h ASP 87 N 4.89 0.19 -5.19 0.00 3.32 -0.99 -3.47 116.42 115.17 3i8x h ASP 87 Ca -0.44 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.46 3i8x h ASP 87 Cb 1.21 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.62 3i8x h ASP 87 CO 0.70 0.80 -0.05 -1.48 -1.72 0.00 0.00 179.24 177.49 3i8x s LEU 88 N -7.72 0.21 -0.03 1.55 2.34 -1.19 -4.68 118.68 109.17 3i8x s LEU 88 Ca -0.03 -0.84 0.05 0.00 0.06 0.00 0.00 54.13 53.37 3i8x s LEU 88 Cb 0.12 1.96 -0.03 0.00 -0.56 0.00 0.00 46.19 47.68 3i8x s LEU 88 CO 0.79 -1.17 -0.17 -0.76 -1.06 0.00 0.00 176.35 173.98 3i8x s LEU 89 N -2.99 2.57 -0.32 1.48 1.43 0.08 -2.27 118.68 118.66 3i8x s LEU 89 Ca 0.19 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 3i8x s LEU 89 Cb -0.02 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 3i8x s LEU 89 CO 0.08 0.32 0.17 -0.63 0.23 0.00 0.00 176.35 176.52 3i8x s ILE 90 N -0.75 4.67 -0.49 -0.59 1.01 -0.43 -0.83 121.20 123.80 3i8x s ILE 90 Ca 0.12 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 3i8x s ILE 90 Cb -0.10 -3.41 0.06 0.00 0.01 0.00 0.00 42.46 39.02 3i8x s ILE 90 CO 0.01 0.02 0.51 0.21 0.00 0.00 0.00 174.94 175.70 3i8x s ASN 91 N 1.62 6.19 -0.11 3.58 3.04 0.20 -1.39 114.94 128.07 3i8x s ASN 91 Ca 0.04 -1.10 -0.28 0.00 0.04 0.00 0.00 52.86 51.56 3i8x s ASN 91 Cb -0.17 -2.24 -0.02 0.00 -1.54 0.00 0.00 41.25 37.28 3i8x s ASN 91 CO 0.07 -0.77 0.94 -0.69 -3.04 0.00 0.00 177.10 173.60 3i8x s VAL 92 N 2.16 4.83 -0.06 -5.21 1.01 -0.01 -0.35 120.40 122.78 3i8x s VAL 92 Ca 0.10 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.00 3i8x s VAL 92 Cb -0.21 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3i8x s VAL 92 CO 0.09 0.04 -0.10 -0.69 0.00 0.00 0.00 175.10 174.44 3i8x s VAL 93 N 1.89 0.97 -0.48 2.92 1.01 -0.02 -4.30 120.40 122.40 3i8x s VAL 93 Ca 0.45 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 3i8x s VAL 93 Cb -0.18 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3i8x s VAL 93 CO 0.17 0.32 1.65 -0.62 0.00 0.00 0.00 175.10 176.61 3i8x s ASP 94 N 0.67 5.87 0.44 3.32 2.15 -1.26 0.02 116.67 127.87 3i8x s ASP 94 Ca -0.13 0.69 0.10 0.00 0.43 0.00 0.00 52.55 53.64 3i8x s ASP 94 Cb -0.15 -2.53 0.97 0.00 -0.30 0.00 0.00 42.92 40.91 3i8x s ASP 94 CO 0.03 -1.84 2.07 0.00 -0.17 0.00 0.00 175.17 175.26 3i8x h ALA 95 N 12.57 1.77 0.00 3.66 0.00 -1.36 -1.74 119.26 134.16 3i8x h ALA 95 Ca -0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3i8x h ALA 95 Cb 1.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i8x h ALA 95 CO 1.13 0.20 -0.16 0.66 0.00 0.00 0.00 179.25 181.08 3i8x h SER 96 N 0.35 0.00 -1.81 0.00 4.64 -1.80 -3.29 113.55 111.64 3i8x h SER 96 Ca 0.09 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.87 3i8x h SER 96 Cb 0.01 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.69 3i8x h SER 96 CO -0.02 0.16 -0.82 0.59 -0.87 0.00 0.00 176.83 175.88 3i8x n ASN 97 N -3.50 3.67 0.18 4.97 3.02 -0.66 -4.97 115.26 117.98 3i8x n ASN 97 Ca -0.01 -3.48 -0.14 0.00 -0.03 0.00 0.00 54.58 50.92 3i8x n ASN 97 Cb 0.32 -0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 3i8x n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3i8x h LEU 98 N 2.84 -0.43 -0.15 3.41 5.85 -1.62 -2.15 115.31 123.06 3i8x h LEU 98 Ca 0.16 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3i8x h LEU 98 Cb 0.80 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3i8x h LEU 98 CO 0.75 -0.28 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.42 3i8x h GLU 99 N -0.44 -0.05 -0.36 1.25 4.81 -1.93 -0.58 114.58 117.29 3i8x h GLU 99 Ca -0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3i8x h GLU 99 Cb 0.36 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3i8x h GLU 99 CO 0.03 -0.03 0.09 -0.09 -0.73 0.00 0.00 179.01 178.28 3i8x h ARG 100 N -0.05 0.22 -0.09 1.92 2.43 -1.95 -2.90 114.38 113.96 3i8x h ARG 100 Ca 0.08 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3i8x h ARG 100 Cb 0.17 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3i8x h ARG 100 CO -0.18 0.14 -0.26 -0.91 -1.51 0.00 0.00 179.97 177.25 3i8x h ASN 101 N 0.22 0.15 0.67 -3.80 2.35 -0.73 -3.18 115.58 111.26 3i8x h ASN 101 Ca 0.17 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3i8x h ASN 101 Cb 0.18 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3i8x h ASN 101 CO -0.21 0.41 0.00 0.18 -1.65 0.00 0.00 177.43 176.17 3i8x n LEU 102 N -4.18 0.12 -0.08 1.61 4.77 -0.29 -2.91 117.00 116.04 3i8x n LEU 102 Ca -0.01 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 3i8x n LEU 102 Cb 0.35 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3i8x n LEU 102 CO 0.39 -0.23 0.95 1.88 -1.33 0.00 0.00 177.39 179.05 3i8x h TYR 103 N 0.00 0.37 -0.57 -1.77 0.05 -1.64 -0.65 116.97 112.77 3i8x h TYR 103 Ca 0.00 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3i8x h TYR 103 Cb 0.34 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3i8x h TYR 103 CO 0.00 0.29 0.19 1.25 -1.05 0.00 0.00 178.16 178.85 3i8x h LEU 104 N 0.35 0.82 -0.46 3.88 5.85 -1.61 -2.81 115.31 121.33 3i8x h LEU 104 Ca 0.10 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3i8x h LEU 104 Cb 0.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3i8x h LEU 104 CO -0.02 0.80 0.22 0.74 -0.34 0.00 0.00 178.44 179.84 3i8x h THR 105 N 0.80 0.95 -0.82 1.05 2.02 -1.53 -2.35 112.91 113.02 3i8x h THR 105 Ca 0.19 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.29 3i8x h THR 105 Cb 0.26 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 3i8x h THR 105 CO -0.01 0.08 0.48 0.25 0.37 0.00 0.00 175.52 176.70 3i8x h LEU 106 N 0.44 0.72 -0.47 2.58 6.46 -1.01 -1.81 115.31 122.21 3i8x h LEU 106 Ca 0.20 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3i8x h LEU 106 Cb 0.12 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 3i8x h LEU 106 CO -0.15 0.44 0.25 1.56 -0.62 0.00 0.00 178.44 179.91 3i8x h GLN 107 N 0.85 0.47 -0.65 1.25 4.20 -1.17 0.27 115.11 120.33 3i8x h GLN 107 Ca 0.38 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 3i8x h GLN 107 Cb 0.27 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3i8x h GLN 107 CO -0.21 0.31 0.30 -0.07 -0.67 0.00 0.00 178.83 178.49 3i8x h LEU 108 N 0.49 0.86 -0.24 1.46 3.38 -1.02 -1.66 115.31 118.57 3i8x h LEU 108 Ca 0.20 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 3i8x h LEU 108 Cb 0.10 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.63 3i8x h LEU 108 CO -0.14 0.77 -0.74 -0.07 0.09 0.00 0.00 178.44 178.35 3i8x h LEU 109 N 0.90 0.83 -1.23 1.67 3.38 -1.13 -1.94 115.31 117.78 3i8x h LEU 109 Ca 0.22 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3i8x h LEU 109 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3i8x h LEU 109 CO -0.03 1.31 -0.02 -0.33 0.09 0.00 0.00 178.44 179.47 3i8x h GLU 110 N 0.49 0.50 -0.03 1.13 5.08 -0.91 -2.01 114.58 118.83 3i8x h GLU 110 Ca -0.04 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3i8x h GLU 110 Cb 1.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3i8x h GLU 110 CO 0.15 0.54 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.32 3i8x h LEU 111 N 0.48 0.05 0.00 1.33 -0.00 -1.16 -3.43 115.31 112.58 3i8x h LEU 111 Ca 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 3i8x h LEU 111 Cb 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3i8x h LEU 111 CO 0.01 0.36 0.00 0.61 -0.00 0.00 0.00 178.44 179.42 3i8x n GLY 112 N -0.59 0.74 3.72 0.83 0.00 -0.74 -4.12 105.19 105.04 3i8x n GLY 112 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3i8x n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8x s ILE 113 N -2.09 2.84 0.10 -0.61 1.09 -1.14 -4.77 121.20 116.62 3i8x s ILE 113 Ca 0.00 0.62 -0.34 0.00 -1.10 0.00 0.00 60.65 59.83 3i8x s ILE 113 Cb 0.00 -3.40 -0.13 0.00 -1.06 0.00 0.00 42.46 37.87 3i8x s ILE 113 CO 0.00 0.06 1.64 -2.65 -0.10 0.00 0.00 174.94 173.89 3i8x n PRO 114 N 3.55 2.12 -4.03 2.79 -0.02 -1.26 -4.73 135.00 133.43 3i8x n PRO 114 Ca 0.11 0.77 -0.12 0.00 -2.02 0.00 0.00 63.50 62.24 3i8x n PRO 114 Cb 0.40 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 3i8x n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8x s ILE 116 N -1.22 1.53 -0.26 0.00 1.01 -0.01 -4.20 121.20 118.05 3i8x s ILE 116 Ca -0.10 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 3i8x s ILE 116 Cb -0.09 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3i8x s ILE 116 CO -0.00 0.45 0.99 -0.69 0.00 0.00 0.00 174.94 175.69 3i8x s VAL 117 N 1.26 4.67 -0.54 2.92 1.01 -0.07 -0.63 120.40 129.02 3i8x s VAL 117 Ca -0.00 1.79 -0.19 0.00 0.00 0.00 0.00 61.98 63.57 3i8x s VAL 117 Cb -0.14 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.03 3i8x s VAL 117 CO -0.06 -0.25 0.67 0.00 0.00 0.00 0.00 175.10 175.46 3i8x s ALA 118 N 3.24 3.38 -0.74 5.51 0.00 0.52 -0.60 121.76 133.07 3i8x s ALA 118 Ca 0.42 -1.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.25 3i8x s ALA 118 Cb -0.14 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.60 3i8x s ALA 118 CO 0.09 -2.16 1.11 -1.17 0.00 0.00 0.00 175.76 173.63 3i8x s LEU 119 N 2.74 4.05 0.63 0.00 0.20 0.07 -0.84 118.68 125.53 3i8x s LEU 119 Ca 0.15 -0.99 0.00 0.00 0.69 0.00 0.00 54.13 53.97 3i8x s LEU 119 Cb -0.21 -2.47 0.08 0.00 -0.43 0.00 0.00 46.19 43.16 3i8x s LEU 119 CO 0.10 -1.52 0.88 0.21 -0.29 0.00 0.00 176.35 175.74 3i8x s ASN 120 N 3.80 4.85 -1.46 3.68 3.04 0.10 0.18 114.94 129.13 3i8x s ASN 120 Ca 0.29 -0.17 -0.08 0.00 0.04 0.00 0.00 52.86 52.94 3i8x s ASN 120 Cb -0.12 -0.48 0.02 0.00 -1.54 0.00 0.00 41.25 39.14 3i8x s ASN 120 CO 0.08 -1.48 0.88 0.23 -3.04 0.00 0.00 177.10 173.76 3i8x n MET 121 N -2.58 -6.09 0.22 0.43 2.81 -1.18 -1.11 117.12 109.63 3i8x n MET 121 Ca 0.11 0.81 0.08 0.00 -1.81 0.00 0.00 57.70 56.89 3i8x n MET 121 Cb 0.60 -5.74 0.51 0.00 -0.71 0.00 0.00 33.22 27.88 3i8x n MET 121 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3i8x h LEU 122 N -1.97 0.00 -0.08 4.03 3.38 -1.79 -2.30 115.31 116.58 3i8x h LEU 122 Ca -0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 3i8x h LEU 122 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3i8x h LEU 122 CO 0.58 0.25 -0.02 -2.24 0.09 0.00 0.00 178.44 177.10 3i8x h ASP 123 N 0.00 0.15 -0.13 -0.43 2.03 -1.90 -0.96 116.42 115.18 3i8x h ASP 123 Ca -0.00 -0.37 0.04 0.00 -0.73 0.00 0.00 57.03 55.97 3i8x h ASP 123 Cb 0.60 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.02 3i8x h ASP 123 CO 0.03 0.48 -0.11 0.40 -1.03 0.00 0.00 179.24 179.02 3i8x h ILE 124 N -0.18 0.69 -0.99 4.15 2.04 -1.89 -0.07 117.51 121.27 3i8x h ILE 124 Ca 0.02 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.05 3i8x h ILE 124 Cb 0.42 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 3i8x h ILE 124 CO 0.01 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.77 3i8x h ALA 125 N 0.98 1.67 0.28 1.87 0.00 -1.41 -1.94 119.26 120.71 3i8x h ALA 125 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3i8x h ALA 125 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i8x h ALA 125 CO -0.21 0.00 -0.13 1.49 0.00 0.00 0.00 179.25 180.40 3i8x h GLU 126 N 0.81 -0.36 -1.32 0.00 4.81 0.01 0.18 114.58 118.71 3i8x h GLU 126 Ca 0.54 0.02 0.40 0.00 -0.13 0.00 0.00 59.36 60.20 3i8x h GLU 126 Cb 0.79 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.15 3i8x h GLU 126 CO -0.33 -0.07 0.88 0.87 -0.73 0.00 0.00 179.01 179.64 3i8x h LYS 127 N -0.66 0.13 -0.56 1.92 1.57 -0.70 0.25 116.57 118.51 3i8x h LYS 127 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i8x h LYS 127 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i8x h LYS 127 CO 0.06 0.08 0.00 1.04 -0.57 0.00 0.00 179.45 180.07 3i8x n GLN 128 N -4.49 2.53 -2.63 3.15 1.13 -0.76 -4.92 117.38 111.39 3i8x n GLN 128 Ca 0.33 -1.91 -0.16 0.00 -1.94 0.00 0.00 57.00 53.32 3i8x n GLN 128 Cb 1.35 -1.54 -0.00 0.00 0.11 0.00 0.00 30.24 30.15 3i8x n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i8x n ASN 129 N 0.86 -4.44 -4.65 1.08 3.02 0.86 -4.92 115.26 107.06 3i8x n ASN 129 Ca 0.17 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 3i8x n ASN 129 Cb 0.54 -3.72 -0.06 0.00 -0.61 0.00 0.00 39.78 35.93 3i8x n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i8x s ILE 130 N -2.79 5.01 -0.14 2.41 1.01 0.60 -4.95 121.20 122.35 3i8x s ILE 130 Ca 0.09 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.91 3i8x s ILE 130 Cb -0.04 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3i8x s ILE 130 CO 0.11 0.09 -0.07 -0.13 0.00 0.00 0.00 174.94 174.94 3i8x s ARG 131 N 2.03 3.52 -0.15 2.79 0.52 -1.26 -4.31 118.95 122.08 3i8x s ARG 131 Ca 0.29 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 3i8x s ARG 131 Cb -0.16 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.52 3i8x s ARG 131 CO 0.10 0.27 -0.21 0.42 0.02 0.00 0.00 175.30 175.89 3i8x s ILE 132 N 0.27 2.08 -0.87 1.52 1.01 -1.26 -3.41 121.20 120.53 3i8x s ILE 132 Ca -0.05 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 3i8x s ILE 132 Cb -0.14 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3i8x s ILE 132 CO 0.04 0.55 1.79 -0.70 0.00 0.00 0.00 174.94 176.61 3i8x s GLU 133 N 0.96 2.82 0.16 2.79 2.12 0.54 -4.88 118.70 123.21 3i8x s GLU 133 Ca -0.03 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 54.82 3i8x s GLU 133 Cb -0.15 -4.97 0.02 0.00 0.26 0.00 0.00 34.13 29.29 3i8x s GLU 133 CO -0.05 -2.95 1.82 0.82 -0.54 0.00 0.00 175.26 174.35 3i8x h ILE 134 N 7.03 1.11 0.00 -3.70 2.04 -1.97 -0.55 117.51 121.47 3i8x h ILE 134 Ca 0.04 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3i8x h ILE 134 Cb 1.03 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3i8x h ILE 134 CO 1.26 0.10 -0.09 0.44 0.00 0.00 0.00 178.15 179.87 3i8x h ASP 135 N 0.56 0.00 -0.19 1.72 5.19 -1.92 0.30 116.42 122.08 3i8x h ASP 135 Ca 0.15 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 3i8x h ASP 135 Cb -0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3i8x h ASP 135 CO -0.03 0.09 0.03 0.00 -3.12 0.00 0.00 179.24 176.20 3i8x h ALA 136 N 1.91 0.25 -0.34 3.45 0.00 -1.83 -1.06 119.26 121.65 3i8x h ALA 136 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3i8x h ALA 136 Cb 0.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3i8x h ALA 136 CO 0.01 -0.08 0.18 1.25 0.00 0.00 0.00 179.25 180.62 3i8x h LEU 137 N 0.10 0.42 -0.84 0.00 5.85 -0.81 -1.73 115.31 118.29 3i8x h LEU 137 Ca 0.06 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3i8x h LEU 137 Cb 0.32 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3i8x h LEU 137 CO 0.00 0.38 0.54 -1.28 -0.34 0.00 0.00 178.44 177.75 3i8x h SER 138 N 0.42 0.90 0.09 1.25 0.87 -0.95 0.46 113.55 116.59 3i8x h SER 138 Ca 0.12 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 3i8x h SER 138 Cb 0.06 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3i8x h SER 138 CO -0.02 0.63 -0.57 0.00 -0.53 0.00 0.00 176.83 176.33 3i8x h ALA 139 N 1.34 0.71 -0.10 6.23 0.00 -1.03 -0.97 119.26 125.44 3i8x h ALA 139 Ca 0.33 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 3i8x h ALA 139 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i8x h ALA 139 CO -0.11 0.70 -0.76 0.00 0.00 0.00 0.00 179.25 179.07 3i8x h ARG 140 N 0.38 0.55 -0.03 0.00 3.08 -0.90 -3.24 114.38 114.23 3i8x h ARG 140 Ca 0.00 -0.46 -0.17 0.00 0.07 0.00 0.00 59.98 59.42 3i8x h ARG 140 Cb 1.11 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3i8x h ARG 140 CO 0.10 1.09 -0.74 -0.07 -1.07 0.00 0.00 179.97 179.28 3i8x h LEU 141 N 0.37 0.23 0.05 3.04 3.38 -0.92 -3.46 115.31 117.99 3i8x h LEU 141 Ca -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3i8x h LEU 141 Cb 1.36 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3i8x h LEU 141 CO 0.14 0.88 -0.01 0.61 0.09 0.00 0.00 178.44 180.15 3i8x n GLY 142 N 0.57 0.41 3.30 0.83 0.00 -0.38 -4.82 105.19 105.10 3i8x n GLY 142 Ca -0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3i8x n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8x s PRO 144 N -4.01 3.50 -0.27 0.00 0.02 -1.26 -4.51 135.00 128.48 3i8x s PRO 144 Ca 0.21 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.13 3i8x s PRO 144 Cb 0.04 -2.30 0.08 0.00 0.02 0.00 0.00 34.50 32.34 3i8x s PRO 144 CO 0.02 -0.80 0.01 0.08 -0.33 0.00 0.00 177.00 175.98 3i8x s VAL 145 N -1.50 1.40 -0.35 3.83 1.01 -1.26 -0.90 120.40 122.64 3i8x s VAL 145 Ca 0.68 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3i8x s VAL 145 Cb -0.32 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3i8x s VAL 145 CO 0.38 -0.34 0.21 -0.63 0.00 0.00 0.00 175.10 174.72 3i8x s ILE 146 N 1.41 4.85 0.37 2.22 -1.09 0.23 -4.95 121.20 124.24 3i8x s ILE 146 Ca 0.01 -0.54 -0.28 0.00 -2.23 0.00 0.00 60.65 57.61 3i8x s ILE 146 Cb -0.18 -3.58 -0.11 0.00 -1.58 0.00 0.00 42.46 37.01 3i8x s ILE 146 CO -0.11 -0.10 1.47 -2.84 -1.23 0.00 0.00 174.94 172.13 3i8x s PRO 147 N 1.63 4.13 0.01 2.79 0.02 -1.26 -0.76 135.00 141.57 3i8x s PRO 147 Ca 0.04 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.56 3i8x s PRO 147 Cb -0.18 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 3i8x s PRO 147 CO 0.08 -0.50 0.07 -0.51 -0.33 0.00 0.00 177.00 175.80 3i8x s LEU 148 N -1.99 1.85 -0.53 -5.54 1.43 0.13 -4.43 118.68 109.59 3i8x s LEU 148 Ca 0.53 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3i8x s LEU 148 Cb -0.46 0.44 0.13 0.00 0.03 0.00 0.00 46.19 46.33 3i8x s LEU 148 CO 0.61 -0.35 0.28 -0.69 0.23 0.00 0.00 176.35 176.43 3i8x s VAL 149 N -1.49 2.80 0.45 -1.59 1.01 -0.73 -3.09 120.40 117.75 3i8x s VAL 149 Ca -0.15 -3.18 0.32 0.00 0.00 0.00 0.00 61.98 58.98 3i8x s VAL 149 Cb -0.08 -2.92 0.35 0.00 0.00 0.00 0.00 36.38 33.73 3i8x s VAL 149 CO 0.00 -0.80 2.15 0.28 0.00 0.00 0.00 175.10 176.73 3i8x h SER 150 N 6.69 0.00 -0.54 3.32 0.02 -1.94 -1.40 113.55 119.69 3i8x h SER 150 Ca -0.06 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3i8x h SER 150 Cb 0.91 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3i8x h SER 150 CO 0.68 0.06 0.34 0.71 -1.14 0.00 0.00 176.83 177.49 3i8x h THR 151 N 0.00 1.09 -0.24 -2.27 1.35 -1.95 -3.15 112.91 107.73 3i8x h THR 151 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3i8x h THR 151 Cb 0.25 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 3i8x h THR 151 CO 0.01 0.12 0.00 0.54 -0.25 0.00 0.00 175.52 175.94 3i8x n ARG 152 N -4.75 2.20 -1.01 4.72 1.74 -0.58 -4.96 116.66 114.01 3i8x n ARG 152 Ca 0.04 -1.79 -0.01 0.00 -0.77 0.00 0.00 57.85 55.32 3i8x n ARG 152 Cb 0.06 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3i8x n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8x n GLY 153 N 1.35 0.23 3.62 -0.13 0.00 -0.86 -4.96 105.19 104.44 3i8x n GLY 153 Ca 0.18 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3i8x n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8x s ARG 154 N -1.33 3.56 0.00 1.61 3.00 -1.07 -2.84 118.95 121.88 3i8x s ARG 154 Ca 0.00 2.10 0.00 0.00 0.00 0.00 0.00 55.73 57.83 3i8x s ARG 154 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 34.95 30.71 3i8x s ARG 154 CO 0.00 -1.61 0.00 0.41 0.00 0.00 0.00 175.30 174.10 3i8x n GLY 155 N 5.18 0.86 0.26 -3.53 0.00 -1.26 -1.77 105.19 104.93 3i8x n GLY 155 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 3i8x n GLY 155 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i8x h ILE 156 N 0.00 1.27 -0.38 -0.61 1.08 -1.83 -2.85 117.51 114.19 3i8x h ILE 156 Ca 0.00 -1.28 -0.12 0.00 -0.39 0.00 0.00 64.86 63.07 3i8x h ILE 156 Cb 0.00 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3i8x h ILE 156 CO 0.00 0.42 -0.23 1.05 -0.69 0.00 0.00 178.15 178.70 3i8x h GLU 157 N 0.61 0.76 -0.37 2.37 9.09 -1.94 -2.30 114.58 122.81 3i8x h GLU 157 Ca 0.09 -0.31 -0.09 0.00 0.05 0.00 0.00 59.36 59.10 3i8x h GLU 157 Cb 0.69 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.74 3i8x h GLU 157 CO 0.05 0.92 -0.14 0.00 0.05 0.00 0.00 179.01 179.89 3i8x h ALA 158 N 1.07 1.06 -0.44 1.06 0.00 -1.95 -2.31 119.26 117.76 3i8x h ALA 158 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3i8x h ALA 158 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3i8x h ALA 158 CO 0.06 0.57 0.06 1.25 0.00 0.00 0.00 179.25 181.19 3i8x h LEU 159 N 0.60 0.71 -0.61 0.00 5.85 -1.22 -0.42 115.31 120.22 3i8x h LEU 159 Ca 0.10 -0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 3i8x h LEU 159 Cb 0.59 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3i8x h LEU 159 CO 0.04 0.80 -0.58 0.11 -0.34 0.00 0.00 178.44 178.47 3i8x h LYS 160 N 0.60 0.36 -0.94 1.25 1.57 -1.39 0.20 116.57 118.21 3i8x h LYS 160 Ca 0.13 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3i8x h LYS 160 Cb 0.40 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3i8x h LYS 160 CO 0.01 0.84 0.56 1.25 -0.57 0.00 0.00 179.45 181.54 3i8x h LEU 161 N 0.27 1.14 -0.57 2.94 5.85 -1.31 -1.80 115.31 121.83 3i8x h LEU 161 Ca -0.00 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 3i8x h LEU 161 Cb 1.09 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3i8x h LEU 161 CO 0.10 0.88 -0.19 0.00 -0.34 0.00 0.00 178.44 178.88 3i8x h ALA 162 N 1.32 0.77 -0.39 1.25 0.00 -0.23 -2.80 119.26 119.18 3i8x h ALA 162 Ca 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i8x h ALA 162 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i8x h ALA 162 CO -0.06 0.66 0.25 0.82 0.00 0.00 0.00 179.25 180.92 3i8x h ILE 163 N 0.82 1.09 0.00 0.00 2.04 -0.30 -2.10 117.51 119.07 3i8x h ILE 163 Ca 0.11 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3i8x h ILE 163 Cb 0.75 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3i8x h ILE 163 CO 0.06 0.09 0.00 0.44 0.00 0.00 0.00 178.15 178.74 3i8x h ASP 164 N 0.52 0.00 -0.43 1.72 3.45 -1.26 -2.53 116.42 117.89 3i8x h ASP 164 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3i8x h ASP 164 Cb -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 3i8x h ASP 164 CO -0.03 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.18 3i8x n ARG 165 N -2.31 2.85 -2.08 3.56 1.74 -0.91 -5.02 116.66 114.48 3i8x n ARG 165 Ca 0.01 -2.19 -0.38 0.00 -0.77 0.00 0.00 57.85 54.53 3i8x n ARG 165 Cb 0.21 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 3i8x n ARG 165 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3i8x s TYR 166 N -1.02 2.66 0.16 -1.55 1.13 -0.84 -5.01 117.35 112.88 3i8x s TYR 166 Ca 0.29 1.47 -0.01 0.00 -1.41 0.00 0.00 57.07 57.41 3i8x s TYR 166 Cb 0.15 -3.54 0.01 0.00 -1.10 0.00 0.00 41.96 37.48 3i8x s TYR 166 CO 0.19 -2.02 0.24 0.36 -2.51 0.00 0.00 175.55 171.81 3i8x n LYS 167 N -0.68 0.34 -1.67 -3.49 2.85 -1.26 -5.09 118.16 109.16 3i8x n LYS 167 Ca 0.08 -1.25 -0.43 0.00 -1.05 0.00 0.00 58.31 55.67 3i8x n LYS 167 Cb 0.47 1.23 -0.01 0.00 -0.65 0.00 0.00 35.03 36.07 3i8x n LYS 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i8x n ALA 168 N -1.95 0.95 -1.65 0.58 0.00 -1.26 -4.73 120.51 112.45 3i8x n ALA 168 Ca -0.06 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 3i8x n ALA 168 Cb 0.27 -2.20 0.02 0.00 0.00 0.00 0.00 19.45 17.54 3i8x n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i8x n ASN 169 N 0.87 1.67 -4.73 0.00 3.02 -1.26 -4.95 115.26 109.89 3i8x n ASN 169 Ca 0.06 1.00 -0.42 0.00 -0.03 0.00 0.00 54.58 55.20 3i8x n ASN 169 Cb 0.35 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.07 3i8x n ASN 169 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i8x s GLU 170 N -2.30 4.36 -0.37 3.52 0.41 0.52 -4.96 118.70 119.88 3i8x s GLU 170 Ca 0.66 2.08 -0.29 0.00 -0.41 0.00 0.00 54.97 57.01 3i8x s GLU 170 Cb -0.50 -3.21 -0.00 0.00 -1.78 0.00 0.00 34.13 28.64 3i8x s GLU 170 CO 0.55 -0.33 1.58 1.21 -0.49 0.00 0.00 175.26 177.78 3i8x s ASN 171 N 0.60 6.16 0.26 -0.19 2.47 -1.26 -4.52 114.94 118.45 3i8x s ASN 171 Ca 0.60 1.06 0.09 0.00 0.42 0.00 0.00 52.86 55.03 3i8x s ASN 171 Cb -0.37 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 36.84 3i8x s ASN 171 CO 0.36 -1.54 -0.13 0.68 -3.72 0.00 0.00 177.10 172.75 3i8x s VAL 172 N 6.02 1.96 0.04 -5.21 -7.23 -1.26 -5.07 120.40 109.64 3i8x s VAL 172 Ca 0.69 -2.24 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 3i8x s VAL 172 Cb -0.18 -2.28 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 3i8x s VAL 172 CO 0.33 -0.43 1.27 -1.61 -0.31 0.00 0.00 175.10 174.35 3i8x s GLU 173 N -3.63 4.37 0.00 4.82 2.02 -1.26 -4.94 118.70 120.09 3i8x s GLU 173 Ca 0.27 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.11 3i8x s GLU 173 Cb -0.00 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.83 3i8x s GLU 173 CO 0.11 -0.37 0.00 1.28 0.02 0.00 0.00 175.26 176.30 3i8x n LEU 174 N 4.36 0.00 -4.76 1.80 4.77 -1.26 -5.01 117.00 116.90 3i8x n LEU 174 Ca 0.10 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.69 3i8x n LEU 174 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3i8x n LEU 174 CO 0.57 0.00 0.35 -0.69 -1.33 0.00 0.00 177.39 176.29 3i8x s VAL 175 N 0.00 4.83 -0.50 4.08 1.01 -1.26 -4.83 120.40 123.74 3i8x s VAL 175 Ca 0.00 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 63.27 3i8x s VAL 175 Cb 0.00 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.51 3i8x s VAL 175 CO 0.00 0.41 0.37 -2.28 0.00 0.00 0.00 175.10 173.59 3i8x s HIS 176 N -0.19 3.45 0.33 5.22 2.46 -1.26 -5.08 115.29 120.22 3i8x s HIS 176 Ca 0.33 -1.95 -0.16 0.00 0.47 0.00 0.00 55.06 53.75 3i8x s HIS 176 Cb -0.19 -3.49 -0.09 0.00 -0.13 0.00 0.00 32.58 28.68 3i8x s HIS 176 CO 0.19 -0.99 0.76 0.71 -2.47 0.00 0.00 174.74 172.95 3i8x s TYR 177 N 1.21 3.38 0.41 3.88 1.51 -1.26 -4.90 117.35 121.58 3i8x s TYR 177 Ca 0.07 1.28 -0.26 0.00 -1.01 0.00 0.00 57.07 57.15 3i8x s TYR 177 Cb -0.25 -2.58 -0.10 0.00 -0.11 0.00 0.00 41.96 38.92 3i8x s TYR 177 CO -0.01 0.08 1.34 0.00 -1.11 0.00 0.00 175.55 175.85 3i8x n ALA 178 N -0.33 1.60 -0.34 3.71 0.00 -1.26 -4.81 120.51 119.08 3i8x n ALA 178 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.80 3i8x n ALA 178 Cb 0.53 -2.31 0.18 0.00 0.00 0.00 0.00 19.45 17.85 3i8x n ALA 178 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i8x h GLN 179 N 2.34 0.98 -0.85 0.00 5.75 -2.00 -1.35 115.11 119.98 3i8x h GLN 179 Ca -0.48 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 57.96 3i8x h GLN 179 Cb 1.28 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 3i8x h GLN 179 CO 0.61 0.65 0.56 -1.35 -2.65 0.00 0.00 178.83 176.65 3i8x h PRO 180 N 1.01 1.12 -0.45 -2.39 0.11 -1.98 -0.68 132.00 128.74 3i8x h PRO 180 Ca 0.43 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 3i8x h PRO 180 Cb 0.29 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3i8x h PRO 180 CO -0.21 0.74 0.23 -0.07 -0.21 0.00 0.00 178.00 178.48 3i8x h LEU 181 N 1.16 0.58 -0.37 2.35 3.38 -1.62 -1.92 115.31 118.86 3i8x h LEU 181 Ca 0.31 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3i8x h LEU 181 Cb -0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3i8x h LEU 181 CO -0.07 0.53 0.23 -0.07 0.09 0.00 0.00 178.44 179.16 3i8x h LEU 182 N 0.59 0.43 -0.88 1.67 3.38 -1.18 -1.34 115.31 117.98 3i8x h LEU 182 Ca 0.16 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3i8x h LEU 182 Cb 0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3i8x h LEU 182 CO -0.02 0.34 0.56 0.78 0.09 0.00 0.00 178.44 180.19 3i8x h ASN 183 N 0.49 0.92 0.01 -0.43 2.35 -0.99 -0.07 115.58 117.86 3i8x h ASN 183 Ca 0.13 -0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.62 3i8x h ASN 183 Cb -0.03 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 38.16 3i8x h ASN 183 CO -0.03 0.62 -1.03 -0.33 -1.65 0.00 0.00 177.43 175.02 3i8x h GLU 184 N 1.08 0.68 -0.82 0.81 4.39 -1.27 -1.58 114.58 117.87 3i8x h GLU 184 Ca 0.36 -0.74 0.09 0.00 0.34 0.00 0.00 59.36 59.41 3i8x h GLU 184 Cb 0.05 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 3i8x h GLU 184 CO -0.13 1.32 0.53 0.00 -1.16 0.00 0.00 179.01 179.57 3i8x h ALA 185 N 0.38 1.69 -0.27 3.43 0.00 -1.12 -0.85 119.26 122.52 3i8x h ALA 185 Ca -0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3i8x h ALA 185 Cb 1.69 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i8x h ALA 185 CO 0.20 0.15 -0.26 -0.44 0.00 0.00 0.00 179.25 178.90 3i8x h ASP 186 N 0.81 0.69 -0.15 0.00 5.19 -0.85 0.29 116.42 122.39 3i8x h ASP 186 Ca 0.37 -0.47 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3i8x h ASP 186 Cb 0.38 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3i8x h ASP 186 CO -0.14 1.02 0.09 0.77 -3.12 0.00 0.00 179.24 177.86 3i8x h SER 187 N 0.38 0.19 -0.98 6.45 4.64 -1.07 -0.69 113.55 122.45 3i8x h SER 187 Ca 0.04 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i8x h SER 187 Cb 0.82 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 3i8x h SER 187 CO 0.06 0.19 0.64 -0.07 -0.87 0.00 0.00 176.83 176.78 3i8x h LEU 188 N 0.17 1.14 -1.04 5.97 3.38 -1.12 -2.90 115.31 120.91 3i8x h LEU 188 Ca 0.06 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3i8x h LEU 188 Cb 0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3i8x h LEU 188 CO -0.01 0.84 0.11 0.00 0.09 0.00 0.00 178.44 179.47 3i8x h ALA 189 N 1.36 1.22 -0.70 1.53 0.00 0.01 -2.99 119.26 119.70 3i8x h ALA 189 Ca 0.36 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i8x h ALA 189 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3i8x h ALA 189 CO -0.08 0.53 0.46 0.87 0.00 0.00 0.00 179.25 181.04 3i8x h LYS 190 N 0.77 0.92 0.00 0.00 1.57 -0.92 -2.18 116.57 116.72 3i8x h LYS 190 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3i8x h LYS 190 Cb 0.30 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3i8x h LYS 190 CO 0.00 0.61 0.00 0.28 -0.57 0.00 0.00 179.45 179.77 3i8x n VAL 191 N -4.43 0.03 -1.95 0.50 0.31 -1.13 -4.93 118.33 106.74 3i8x n VAL 191 Ca 0.07 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.11 3i8x n VAL 191 Cb 0.03 -0.52 0.03 0.00 -0.91 0.00 0.00 33.84 32.48 3i8x n VAL 191 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3i8x s MET 192 N -2.79 3.13 0.22 5.55 -1.94 -0.82 -4.51 119.30 118.14 3i8x s MET 192 Ca 0.21 0.51 -0.32 0.00 -1.71 0.00 0.00 55.69 54.38 3i8x s MET 192 Cb 0.19 -2.07 -0.13 0.00 2.01 0.00 0.00 34.83 34.83 3i8x s MET 192 CO 0.48 -0.83 1.51 -0.35 -0.01 0.00 0.00 175.02 175.83 3i8x n PRO 193 N -2.86 2.24 0.00 2.03 -0.04 -1.26 -4.89 135.00 130.21 3i8x n PRO 193 Ca 0.06 0.80 0.05 0.00 -0.04 0.00 0.00 63.50 64.37 3i8x n PRO 193 Cb 0.56 -2.53 0.29 0.00 -0.04 0.00 0.00 33.50 31.78 3i8x n PRO 193 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i8x n SER 194 N 2.68 0.00 -0.75 3.54 2.88 -1.26 -2.37 113.62 118.33 3i8x n SER 194 Ca 0.13 -1.11 0.12 0.00 -1.33 0.00 0.00 58.87 56.68 3i8x n SER 194 Cb 0.32 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.89 3i8x n SER 194 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i8x n ASP 195 N -0.72 2.50 -4.86 -3.46 5.75 -1.26 -4.88 116.55 109.63 3i8x n ASP 195 Ca 0.07 -1.77 -0.37 0.00 -0.01 0.00 0.00 54.79 52.72 3i8x n ASP 195 Cb 0.03 0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3i8x n ASP 195 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i8x s ILE 196 N -2.17 5.38 0.57 2.12 1.01 -1.00 -5.08 121.20 122.03 3i8x s ILE 196 Ca 0.26 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 61.08 3i8x s ILE 196 Cb 0.19 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3i8x s ILE 196 CO 0.39 0.59 1.22 -2.84 0.00 0.00 0.00 174.94 174.31 3i8x s PRO 197 N -0.92 3.12 0.25 2.79 0.02 -1.26 -4.83 135.00 134.16 3i8x s PRO 197 Ca 0.17 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 3i8x s PRO 197 Cb -0.13 -2.04 0.47 0.00 0.02 0.00 0.00 34.50 32.82 3i8x s PRO 197 CO 0.06 -1.10 1.72 1.25 -0.33 0.00 0.00 177.00 178.60 3i8x h LEU 198 N 1.13 0.23 -0.70 -5.54 6.46 -1.97 -0.27 115.31 114.65 3i8x h LEU 198 Ca -0.50 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 57.47 3i8x h LEU 198 Cb 1.29 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 41.26 3i8x h LEU 198 CO 0.56 0.07 0.34 0.11 -0.62 0.00 0.00 178.44 178.90 3i8x h LYS 199 N 0.40 0.57 -0.00 1.25 1.57 -1.92 -0.93 116.57 117.52 3i8x h LYS 199 Ca 0.42 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 59.00 3i8x h LYS 199 Cb 0.67 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3i8x h LYS 199 CO -0.43 0.38 -0.79 1.96 -0.57 0.00 0.00 179.45 179.99 3i8x h GLN 200 N 0.59 0.02 -0.06 3.15 4.20 -1.28 -2.22 115.11 119.50 3i8x h GLN 200 Ca 0.34 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.85 3i8x h GLN 200 Cb 0.36 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3i8x h GLN 200 CO -0.27 0.80 -0.72 0.00 -0.67 0.00 0.00 178.83 177.97 3i8x h ARG 201 N 0.01 0.34 -0.16 1.46 3.08 -0.75 0.36 114.38 118.73 3i8x h ARG 201 Ca -0.01 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3i8x h ARG 201 Cb 1.40 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 3i8x h ARG 201 CO 0.11 0.93 0.04 -0.09 -1.07 0.00 0.00 179.97 179.88 3i8x h ARG 202 N 0.23 0.25 -0.50 0.04 9.65 -1.20 -1.36 114.38 121.48 3i8x h ARG 202 Ca -0.03 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3i8x h ARG 202 Cb 1.29 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.79 3i8x h ARG 202 CO 0.12 0.39 0.24 2.35 2.80 0.00 0.00 179.97 185.87 3i8x h TRP 203 N 0.06 0.44 -0.46 2.20 7.01 -1.20 -0.79 115.95 123.20 3i8x h TRP 203 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3i8x h TRP 203 Cb 0.25 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 3i8x h TRP 203 CO 0.01 0.20 0.26 -0.07 -2.79 0.00 0.00 178.44 176.05 3i8x h LEU 204 N 0.47 0.56 -0.42 0.65 3.38 -0.27 -0.83 115.31 118.86 3i8x h LEU 204 Ca 0.22 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3i8x h LEU 204 Cb 0.15 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 3i8x h LEU 204 CO -0.17 0.48 -0.16 1.23 0.09 0.00 0.00 178.44 179.90 3i8x h GLY 205 N 0.60 0.18 0.99 0.83 0.00 -0.95 -1.17 103.07 103.55 3i8x h GLY 205 Ca 0.16 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 3i8x h GLY 205 CO -0.03 -0.19 0.31 1.41 0.00 0.00 0.00 176.54 178.04 3i8x h LEU 206 N -0.08 0.61 -0.24 3.11 3.38 -0.85 -1.17 115.31 120.07 3i8x h LEU 206 Ca 0.20 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i8x h LEU 206 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3i8x h LEU 206 CO -0.47 0.48 0.13 1.56 0.09 0.00 0.00 178.44 180.23 3i8x h GLN 207 N 0.68 0.33 -0.29 1.13 1.08 -0.95 -1.10 115.11 116.00 3i8x h GLN 207 Ca 0.18 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.40 3i8x h GLN 207 Cb -0.02 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.29 3i8x h GLN 207 CO -0.03 0.30 -0.10 0.52 -0.95 0.00 0.00 178.83 178.57 3i8x h MET 208 N 0.27 -0.04 -0.06 1.46 2.86 -1.16 0.72 114.93 118.99 3i8x h MET 208 Ca 0.08 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3i8x h MET 208 Cb 0.07 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3i8x h MET 208 CO -0.01 -0.02 0.05 -0.07 1.06 0.00 0.00 176.91 177.91 3i8x h LEU 209 N -0.04 0.00 0.00 1.22 3.38 -0.88 -0.69 115.31 118.30 3i8x h LEU 209 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i8x h LEU 209 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i8x h LEU 209 CO -0.32 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 177.86 3i8x h GLU 210 N 0.00 0.00 0.00 1.13 4.81 -0.53 -3.39 114.58 116.60 3i8x h GLU 210 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i8x h GLU 210 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3i8x h GLU 210 CO -0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 3i8x n GLY 211 N 1.22 1.48 3.67 1.92 0.00 -0.27 -4.80 105.19 108.42 3i8x n GLY 211 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3i8x n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i8x s ASP 212 N -2.00 7.12 0.11 1.61 2.15 0.17 -4.71 116.67 121.12 3i8x s ASP 212 Ca 0.00 1.40 -0.12 0.00 0.43 0.00 0.00 52.55 54.26 3i8x s ASP 212 Cb 0.00 -2.53 -0.12 0.00 -0.30 0.00 0.00 42.92 39.96 3i8x s ASP 212 CO 0.00 -0.58 1.35 0.40 -0.17 0.00 0.00 175.17 176.17 3i8x h ILE 213 N 5.33 1.28 0.00 4.11 2.04 -1.88 -3.33 117.51 125.05 3i8x h ILE 213 Ca -0.23 -1.89 -0.09 0.00 1.00 0.00 0.00 64.86 63.64 3i8x h ILE 213 Cb 1.09 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3i8x h ILE 213 CO 0.93 0.61 -0.43 1.88 0.00 0.00 0.00 178.15 181.13 3i8x h TYR 214 N 0.58 0.00 -0.01 1.37 -1.99 -1.92 -2.70 116.97 112.30 3i8x h TYR 214 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3i8x h TYR 214 Cb 1.32 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.05 3i8x h TYR 214 CO 0.08 0.43 0.01 0.77 -0.00 0.00 0.00 178.16 179.45 3i8x h SER 215 N 0.00 0.00 -0.54 3.88 0.02 -1.94 -3.01 113.55 111.96 3i8x h SER 215 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3i8x h SER 215 Cb 1.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 3i8x h SER 215 CO 0.06 0.00 0.15 0.03 -1.14 0.00 0.00 176.83 175.92 3i8x h ARG 216 N 0.00 0.90 -0.99 3.45 3.08 -1.67 -1.31 114.38 117.83 3i8x h ARG 216 Ca 0.00 -0.19 0.22 0.00 0.07 0.00 0.00 59.98 60.09 3i8x h ARG 216 Cb 0.02 -0.13 -0.12 0.00 0.08 0.00 0.00 29.97 29.82 3i8x h ARG 216 CO -0.00 0.80 0.59 0.00 -1.07 0.00 0.00 179.97 180.29 3i8x h ALA 217 N 1.29 1.72 0.00 0.04 0.00 -1.72 1.04 119.26 121.63 3i8x h ALA 217 Ca 0.19 0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.94 3i8x h ALA 217 Cb 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3i8x h ALA 217 CO -0.00 -0.18 -2.00 0.66 0.00 0.00 0.00 179.25 177.72 3i8x n TYR 218 N -4.85 0.40 0.18 0.00 4.02 -1.13 -3.68 117.16 112.10 3i8x n TYR 218 Ca 0.25 0.14 0.03 0.00 -0.01 0.00 0.00 57.90 58.31 3i8x n TYR 218 Cb 0.67 -0.99 0.34 0.00 -0.02 0.00 0.00 39.34 39.34 3i8x n TYR 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8x h ALA 219 N 1.22 1.26 -0.63 -0.72 0.00 -0.76 -3.40 119.26 116.23 3i8x h ALA 219 Ca -0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3i8x h ALA 219 Cb 1.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3i8x h ALA 219 CO 0.04 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3i8x n GLY 220 N -0.26 1.35 0.33 0.00 0.00 0.36 -2.72 105.19 104.23 3i8x n GLY 220 Ca -0.02 0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 3i8x n GLY 220 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i8x h GLU 221 N 0.00 0.87 -0.34 1.61 4.57 -1.84 -3.09 114.58 116.36 3i8x h GLU 221 Ca 0.00 -0.09 0.10 0.00 -1.18 0.00 0.00 59.36 58.19 3i8x h GLU 221 Cb 0.00 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3i8x h GLU 221 CO 0.00 0.64 0.32 0.00 -1.18 0.00 0.00 179.01 178.80 3i8x h ALA 222 N 1.50 2.09 -1.03 2.92 0.00 -1.74 0.10 119.26 123.10 3i8x h ALA 222 Ca 0.22 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.39 3i8x h ALA 222 Cb 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 3i8x h ALA 222 CO -0.04 -0.50 0.63 1.03 0.00 0.00 0.00 179.25 180.37 3i8x h SER 223 N 0.00 0.57 0.80 0.00 0.87 -1.78 -0.25 113.55 113.76 3i8x h SER 223 Ca 0.16 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3i8x h SER 223 Cb 0.80 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3i8x h SER 223 CO -0.00 0.06 -0.05 0.00 -0.53 0.00 0.00 176.83 176.30 3i8x n GLN 224 N -4.82 0.15 -0.24 2.24 6.02 0.36 -3.28 117.38 117.82 3i8x n GLN 224 Ca 0.28 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.35 3i8x n GLN 224 Cb 0.85 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.84 3i8x n GLN 224 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3i8x n HIS 225 N -1.41 0.64 -0.00 1.08 8.25 -0.12 -4.73 115.22 118.93 3i8x n HIS 225 Ca 0.09 -0.39 -0.19 0.00 -0.26 0.00 0.00 57.72 56.97 3i8x n HIS 225 Cb 0.31 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.28 3i8x n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3i8x h LEU 226 N 3.60 0.28 -1.35 2.41 5.85 -1.51 -2.92 115.31 121.66 3i8x h LEU 226 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 3i8x h LEU 226 Cb 0.89 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3i8x h LEU 226 CO 0.00 1.32 0.39 -0.78 -0.34 0.00 0.00 178.44 179.03 3i8x h ASP 227 N -0.60 0.72 -0.35 1.25 3.58 -1.85 -0.43 116.42 118.75 3i8x h ASP 227 Ca -0.14 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 3i8x h ASP 227 Cb 1.45 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 3i8x h ASP 227 CO 0.06 0.54 0.07 0.00 -2.88 0.00 0.00 179.24 177.04 3i8x h ALA 228 N 1.59 1.32 -0.24 -0.78 0.00 -1.89 0.29 119.26 119.55 3i8x h ALA 228 Ca 0.22 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3i8x h ALA 228 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i8x h ALA 228 CO -0.05 0.47 -0.49 0.00 0.00 0.00 0.00 179.25 179.18 3i8x h ALA 229 N 1.45 0.38 -0.08 0.00 0.00 -1.00 -2.09 119.26 117.92 3i8x h ALA 229 Ca 0.14 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 3i8x h ALA 229 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i8x h ALA 229 CO 0.00 0.56 -0.61 -0.07 0.00 0.00 0.00 179.25 179.13 3i8x h LEU 230 N 0.49 0.33 -0.87 0.00 3.38 -0.93 -1.77 115.31 115.94 3i8x h LEU 230 Ca 0.01 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3i8x h LEU 230 Cb 1.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3i8x h LEU 230 CO 0.11 0.86 -0.00 0.00 0.09 0.00 0.00 178.44 179.49 3i8x h ALA 231 N 1.14 1.06 -0.12 1.53 0.00 -0.42 -2.42 119.26 120.04 3i8x h ALA 231 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3i8x h ALA 231 Cb 1.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i8x h ALA 231 CO 0.10 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 3i8x h ARG 232 N 0.77 0.27 -0.61 0.00 3.08 -1.17 -3.08 114.38 113.64 3i8x h ARG 232 Ca 0.15 -0.13 0.18 0.00 0.07 0.00 0.00 59.98 60.24 3i8x h ARG 232 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3i8x h ARG 232 CO 0.02 0.64 0.47 -0.07 -1.07 0.00 0.00 179.97 179.96 3i8x h LEU 233 N -0.09 0.00 -1.83 3.04 3.38 -1.30 -2.38 115.31 116.12 3i8x h LEU 233 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3i8x h LEU 233 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3i8x h LEU 233 CO 0.02 0.00 0.29 -0.09 0.09 0.00 0.00 178.44 178.75 3i8x h ARG 234 N 0.00 0.20 -0.63 1.13 2.43 -1.34 -1.00 114.38 115.17 3i8x h ARG 234 Ca 0.29 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3i8x h ARG 234 Cb 1.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3i8x h ARG 234 CO -0.00 0.13 0.00 0.09 -1.51 0.00 0.00 179.97 178.68 3i8x n ASN 235 N -4.46 3.90 0.00 -3.80 3.02 -0.90 -4.29 115.26 108.73 3i8x n ASN 235 Ca 0.06 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 3i8x n ASN 235 Cb 0.34 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3i8x n ASN 235 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i8x n GLU 236 N 0.83 1.67 -3.83 3.52 1.02 -0.46 -5.09 120.64 118.31 3i8x n GLU 236 Ca 0.20 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.25 3i8x n GLU 236 Cb 0.74 -0.75 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 3i8x n GLU 236 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8x s MET 237 N -1.49 0.86 0.20 3.49 0.23 -0.76 -5.06 119.30 116.77 3i8x s MET 237 Ca 0.00 -0.89 -0.05 0.00 -1.03 0.00 0.00 55.69 53.72 3i8x s MET 237 Cb 0.00 0.35 0.15 0.00 -1.53 0.00 0.00 34.83 33.80 3i8x s MET 237 CO 0.00 -0.28 1.58 0.38 -2.03 0.00 0.00 175.02 174.67 3i8x h ASP 238 N 2.76 0.76 -1.39 -1.18 2.03 -1.86 -3.41 116.42 114.13 3i8x h ASP 238 Ca -0.34 -0.31 -0.10 0.00 -0.73 0.00 0.00 57.03 55.55 3i8x h ASP 238 Cb 1.21 -0.21 -0.25 0.00 -0.83 0.00 0.00 39.33 39.24 3i8x h ASP 238 CO 0.54 1.03 -0.47 -0.62 -1.03 0.00 0.00 179.24 178.69 3i8x s ASP 239 N -6.81 -0.51 0.12 4.15 -1.08 -1.26 -5.05 116.67 106.23 3i8x s ASP 239 Ca -0.09 -0.19 -0.21 0.00 -0.52 0.00 0.00 52.55 51.54 3i8x s ASP 239 Cb 0.12 1.51 -0.04 0.00 -1.46 0.00 0.00 42.92 43.05 3i8x s ASP 239 CO 0.84 -0.32 1.71 -0.65 0.52 0.00 0.00 175.17 177.26 3i8x h PRO 240 N 8.02 -0.02 -0.13 4.34 0.11 -1.91 -2.02 132.00 140.40 3i8x h PRO 240 Ca -0.05 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 3i8x h PRO 240 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3i8x h PRO 240 CO 0.21 -0.01 -0.37 0.00 -0.21 0.00 0.00 178.00 177.62 3i8x h ALA 241 N 1.15 1.14 -0.07 -0.75 0.00 -1.87 -1.20 119.26 117.65 3i8x h ALA 241 Ca 0.08 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 3i8x h ALA 241 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i8x h ALA 241 CO -0.18 0.57 -0.80 1.25 0.00 0.00 0.00 179.25 180.08 3i8x h LEU 242 N 0.23 0.61 -0.80 0.00 6.46 -1.92 -2.43 115.31 117.45 3i8x h LEU 242 Ca 0.02 -0.42 -0.02 0.00 -0.12 0.00 0.00 57.88 57.35 3i8x h LEU 242 Cb 0.77 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 3i8x h LEU 242 CO 0.06 1.19 0.44 0.45 -0.62 0.00 0.00 178.44 179.96 3i8x h HIS 243 N 0.33 1.10 -0.07 1.25 3.86 -1.01 0.71 115.15 121.32 3i8x h HIS 243 Ca -0.05 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3i8x h HIS 243 Cb 1.40 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 3i8x h HIS 243 CO 0.06 0.77 0.04 0.82 0.86 0.00 0.00 177.93 180.48 3i8x h ILE 244 N 1.11 1.06 -0.68 2.45 2.04 -1.11 -1.46 117.51 120.92 3i8x h ILE 244 Ca 0.28 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 3i8x h ILE 244 Cb 0.03 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3i8x h ILE 244 CO -0.05 0.05 0.19 0.00 0.00 0.00 0.00 178.15 178.35 3i8x h ALA 245 N 0.98 0.90 -0.55 1.87 0.00 -1.32 -2.93 119.26 118.20 3i8x h ALA 245 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3i8x h ALA 245 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i8x h ALA 245 CO -0.00 0.59 0.23 -0.44 0.00 0.00 0.00 179.25 179.63 3i8x h ASP 246 N 1.01 0.75 -0.33 0.00 5.19 -0.70 -1.54 116.42 120.80 3i8x h ASP 246 Ca 0.22 -0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 3i8x h ASP 246 Cb 0.33 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3i8x h ASP 246 CO -0.00 0.70 -0.01 0.00 -3.12 0.00 0.00 179.24 176.81 3i8x h ALA 247 N 1.08 1.19 -0.20 3.45 0.00 -1.25 0.27 119.26 123.79 3i8x h ALA 247 Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i8x h ALA 247 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i8x h ALA 247 CO -0.02 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 3i8x h ARG 248 N 0.65 0.37 -0.29 0.00 3.08 -1.43 -2.06 114.38 114.70 3i8x h ARG 248 Ca 0.13 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8x h ARG 248 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3i8x h ARG 248 CO 0.02 0.59 0.19 -0.92 -1.07 0.00 0.00 179.97 178.78 3i8x h TYR 249 N 0.11 0.37 -0.50 3.04 3.20 -1.03 -2.50 116.97 119.66 3i8x h TYR 249 Ca 0.05 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.03 3i8x h TYR 249 Cb 0.44 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 3i8x h TYR 249 CO 0.04 0.23 -0.02 0.37 -1.64 0.00 0.00 178.16 177.15 3i8x h GLN 250 N 0.40 0.09 -0.53 1.82 4.15 -0.46 -1.45 115.11 119.12 3i8x h GLN 250 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3i8x h GLN 250 Cb -0.04 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3i8x h GLN 250 CO -0.02 0.06 0.29 0.00 -1.93 0.00 0.00 178.83 177.23 3i8x h ILE 252 N 0.71 1.27 -0.65 0.00 2.04 -1.11 -1.80 117.51 117.97 3i8x h ILE 252 Ca 0.19 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3i8x h ILE 252 Cb 0.05 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3i8x h ILE 252 CO -0.03 0.26 0.38 0.00 0.00 0.00 0.00 178.15 178.77 3i8x h ALA 253 N 0.73 0.83 -0.82 1.87 0.00 -1.21 0.26 119.26 120.92 3i8x h ALA 253 Ca 0.04 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.97 3i8x h ALA 253 Cb 0.41 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3i8x h ALA 253 CO 0.01 0.32 0.45 0.00 0.00 0.00 0.00 179.25 180.03 3i8x h ALA 254 N 1.19 1.18 -0.07 0.00 0.00 -1.17 0.19 119.26 120.58 3i8x h ALA 254 Ca 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3i8x h ALA 254 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i8x h ALA 254 CO -0.04 0.03 -0.05 0.82 0.00 0.00 0.00 179.25 180.01 3i8x h ILE 255 N 0.73 1.35 -0.79 0.00 2.04 -0.75 -2.94 117.51 117.15 3i8x h ILE 255 Ca 0.41 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3i8x h ILE 255 Cb 0.44 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3i8x h ILE 255 CO -0.28 0.31 0.43 0.00 0.00 0.00 0.00 178.15 178.61 3i8x h ASP 257 N 1.10 0.46 0.36 0.00 3.32 -0.61 -1.72 116.42 119.33 3i8x h ASP 257 Ca 0.28 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.98 3i8x h ASP 257 Cb 0.03 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3i8x h ASP 257 CO -0.04 0.37 -1.60 0.58 -1.72 0.00 0.00 179.24 176.82 3i8x h VAL 258 N 0.54 1.09 0.00 -1.35 2.07 -1.24 -3.39 116.25 113.96 3i8x h VAL 258 Ca 0.14 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3i8x h VAL 258 Cb -0.01 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3i8x h VAL 258 CO -0.03 0.83 -1.00 1.33 0.02 0.00 0.00 177.57 178.72 3i8x n VAL 259 N -3.51 0.00 -4.30 2.57 0.24 -0.78 -4.92 118.33 107.63 3i8x n VAL 259 Ca -0.19 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 3i8x n VAL 259 Cb 1.06 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 34.28 3i8x n VAL 259 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i8x s SER 260 N -3.03 1.49 0.00 -1.34 0.15 -0.65 -0.34 113.70 109.97 3i8x s SER 260 Ca 0.08 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.49 3i8x s SER 260 Cb 0.16 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 3i8x s SER 260 CO 0.86 -0.58 0.00 0.59 1.20 0.00 0.00 173.24 175.31