#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n LYS 2 N 0.00 0.00 -2.66 0.03 2.85 -1.26 -4.84 118.16 112.28 3i8f n LYS 2 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 3i8f n LYS 2 Cb 0.00 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.49 3i8f n LYS 2 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3i8f n GLU 3 N 0.49 0.17 -3.93 -1.58 0.28 -1.26 -4.70 120.64 110.11 3i8f n GLU 3 Ca 0.00 -0.74 -0.30 0.00 -0.16 0.00 0.00 57.16 55.96 3i8f n GLU 3 Cb 0.00 -0.18 -0.14 0.00 1.43 0.00 0.00 31.44 32.55 3i8f n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i8f s VAL 4 N 0.05 2.13 0.00 3.84 1.01 -1.26 -3.03 120.40 123.14 3i8f s VAL 4 Ca 0.21 -2.59 0.00 0.00 0.00 0.00 0.00 61.98 59.60 3i8f s VAL 4 Cb 0.29 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3i8f s VAL 4 CO -0.19 -0.71 0.00 0.00 0.00 0.00 0.00 175.10 174.20 3i8f n ALA 5 N 3.86 0.00 -2.83 5.51 0.00 -1.16 -4.86 120.51 121.03 3i8f n ALA 5 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 3i8f n ALA 5 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.86 3i8f n ALA 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8f n VAL 6 N -0.68 0.38 -1.59 0.00 0.31 -1.26 -4.21 118.33 111.27 3i8f n VAL 6 Ca 0.00 -3.06 -0.51 0.00 -0.01 0.00 0.00 64.34 60.76 3i8f n VAL 6 Cb 0.00 0.55 -0.06 0.00 -0.91 0.00 0.00 33.84 33.42 3i8f n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8f n TYR 7 N -0.01 1.95 -2.16 3.52 9.36 -1.26 -4.22 117.16 124.34 3i8f n TYR 7 Ca 0.11 0.24 -0.26 0.00 3.32 0.00 0.00 57.90 61.31 3i8f n TYR 7 Cb 0.77 -2.56 0.09 0.00 -0.63 0.00 0.00 39.34 37.00 3i8f n TYR 7 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 3i8f s GLN 8 N 4.95 1.92 -0.40 2.98 1.03 -1.16 0.19 119.66 129.17 3i8f s GLN 8 Ca 1.02 -0.31 -0.30 0.00 0.04 0.00 0.00 55.36 55.81 3i8f s GLN 8 Cb -0.84 -2.12 -0.14 0.00 0.03 0.00 0.00 33.01 29.95 3i8f s GLN 8 CO 0.54 -1.45 1.57 -0.89 -2.54 0.00 0.00 175.29 172.51 3i8f n ILE 9 N -3.07 0.00 -0.03 3.63 5.41 0.14 -4.61 119.36 120.83 3i8f n ILE 9 Ca 0.10 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.71 3i8f n ILE 9 Cb 0.60 -0.35 -0.09 0.00 -0.71 0.00 0.00 39.64 39.09 3i8f n ILE 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3i8f h PRO 10 N 6.66 0.13 0.00 0.38 0.11 -1.79 -3.30 132.00 134.18 3i8f h PRO 10 Ca -0.07 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3i8f h PRO 10 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i8f h PRO 10 CO 0.80 0.60 0.00 0.28 -0.21 0.00 0.00 178.00 179.47 3i8f n VAL 11 N -4.73 0.00 -0.08 3.15 0.31 -1.26 -4.57 118.33 111.15 3i8f n VAL 11 Ca -0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 3i8f n VAL 11 Cb 0.30 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.11 3i8f n VAL 11 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i8f h LEU 12 N 0.00 0.00 -1.38 7.52 3.38 -1.96 -3.48 115.31 119.39 3i8f h LEU 12 Ca 0.00 -0.79 -0.13 0.00 0.09 0.00 0.00 57.88 57.04 3i8f h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i8f h LEU 12 CO 0.00 1.13 0.10 -1.54 0.09 0.00 0.00 178.44 178.22 3i8f n SER 13 N -4.56 0.17 -4.48 -0.43 3.41 -1.26 -4.61 113.62 101.86 3i8f n SER 13 Ca -0.17 0.18 -0.44 0.00 -0.26 0.00 0.00 58.87 58.19 3i8f n SER 13 Cb 0.52 -0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 3i8f n SER 13 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3i8f n PRO 14 N 0.57 0.57 0.00 4.33 -0.02 -1.26 -4.46 135.00 134.73 3i8f n PRO 14 Ca 0.05 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3i8f n PRO 14 Cb -0.01 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3i8f n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i8f n SER 15 N 11.58 0.00 0.00 2.55 2.88 -1.26 -4.75 113.62 124.63 3i8f n SER 15 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 3i8f n SER 15 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 3i8f n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i8f n GLY 16 N 0.00 -0.80 3.10 0.46 0.00 -1.22 -0.68 105.19 106.04 3i8f n GLY 16 Ca 0.00 0.38 -0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i8f n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8f n ARG 17 N 0.00 -1.02 0.00 1.61 0.00 0.51 -4.87 116.66 112.89 3i8f n ARG 17 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 57.85 59.02 3i8f n ARG 17 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.19 3i8f n ARG 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i8f n ARG 18 N 1.81 2.34 0.00 -0.14 0.63 -1.26 -4.77 116.66 115.27 3i8f n ARG 18 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3i8f n ARG 18 Cb 0.27 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.18 3i8f n ARG 18 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3i8f n GLU 19 N 0.00 0.00 -3.64 -0.14 0.28 -1.26 -2.98 120.64 112.89 3i8f n GLU 19 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 3i8f n GLU 19 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 3i8f n GLU 19 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3i8f s LEU 20 N 0.00 -0.30 0.00 -1.84 0.20 -1.17 -4.82 118.68 110.76 3i8f s LEU 20 Ca 0.00 0.58 0.00 0.00 0.69 0.00 0.00 54.13 55.40 3i8f s LEU 20 Cb 0.00 1.58 0.00 0.00 -0.43 0.00 0.00 46.19 47.34 3i8f s LEU 20 CO 0.00 -0.10 0.00 0.00 -0.29 0.00 0.00 176.35 175.96 3i8f n ALA 21 N 1.98 -1.43 0.68 5.97 0.00 -1.26 -3.90 120.51 122.56 3i8f n ALA 21 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i8f n ALA 21 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3i8f n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f n ALA 22 N -0.55 2.08 0.17 0.00 0.00 -1.26 -3.54 120.51 117.41 3i8f n ALA 22 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3i8f n ALA 22 Cb 0.22 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.72 3i8f n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i8f n ASP 23 N 0.31 0.00 -2.95 0.00 8.00 -1.25 -4.39 116.55 116.27 3i8f n ASP 23 Ca 0.00 -0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 3i8f n ASP 23 Cb 0.22 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.38 3i8f n ASP 23 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i8f n LEU 24 N -0.83 0.00 0.00 0.64 7.99 -1.23 -4.03 117.00 119.53 3i8f n LEU 24 Ca 0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 56.01 55.24 3i8f n LEU 24 Cb 0.01 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 3i8f n LEU 24 CO 0.01 -0.76 0.00 -0.81 -1.51 0.00 0.00 177.39 174.32 3i8f n PRO 25 N -1.87 0.00 0.00 3.23 -0.04 -1.26 -4.66 135.00 130.40 3i8f n PRO 25 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3i8f n PRO 25 Cb 0.24 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 3i8f n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8f n ALA 26 N -2.86 0.00 0.01 0.55 0.00 -1.26 -4.14 120.51 112.80 3i8f n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8f n ALA 26 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3i8f n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8f n GLU 27 N -1.96 0.00 -3.40 0.00 -0.58 -1.26 -5.11 120.64 108.32 3i8f n GLU 27 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3i8f n GLU 27 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 3i8f n GLU 27 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3i8f n ILE 28 N -2.41 -5.60 -3.62 -3.67 -5.35 -1.26 -4.97 119.36 92.49 3i8f n ILE 28 Ca 0.00 0.21 -0.40 0.00 -0.27 0.00 0.00 62.75 62.29 3i8f n ILE 28 Cb 0.00 -4.38 -0.11 0.00 -1.74 0.00 0.00 39.64 33.41 3i8f n ILE 28 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3i8f s ASN 29 N -2.04 5.68 0.00 7.28 2.47 -1.26 -5.03 114.94 122.04 3i8f s ASN 29 Ca 0.27 -0.97 -0.00 0.00 0.42 0.00 0.00 52.86 52.58 3i8f s ASN 29 Cb -0.04 -2.01 -0.00 0.00 -1.45 0.00 0.00 41.25 37.75 3i8f s ASN 29 CO 0.85 -0.36 1.00 -0.65 -3.72 0.00 0.00 177.10 174.22 3i8f h PRO 30 N 8.41 -0.00 -0.56 0.43 0.11 -1.99 -2.84 132.00 135.56 3i8f h PRO 30 Ca -0.26 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.97 3i8f h PRO 30 Cb 1.11 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 3i8f h PRO 30 CO 0.66 -0.00 -0.11 1.58 -0.21 0.00 0.00 178.00 179.92 3i8f n HIS 31 N -2.63 0.23 0.02 0.65 -0.00 -1.26 0.18 115.22 112.41 3i8f n HIS 31 Ca -0.00 0.68 -0.12 0.00 -0.00 0.00 0.00 57.72 58.28 3i8f n HIS 31 Cb 0.00 -0.84 -0.07 0.00 -0.00 0.00 0.00 29.99 29.08 3i8f n HIS 31 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3i8f h LEU 32 N 0.00 0.01 -2.02 0.27 6.46 -1.96 -1.00 115.31 117.08 3i8f h LEU 32 Ca 0.28 -0.11 0.13 0.00 -0.12 0.00 0.00 57.88 58.06 3i8f h LEU 32 Cb 0.46 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3i8f h LEU 32 CO -0.56 0.12 0.41 0.25 -0.62 0.00 0.00 178.44 178.04 3i8f h LEU 33 N -0.09 0.00 0.11 2.25 5.85 0.21 -1.41 115.31 122.21 3i8f h LEU 33 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3i8f h LEU 33 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3i8f h LEU 33 CO -0.00 0.00 -0.05 -0.25 -0.34 0.00 0.00 178.44 177.80 3i8f h TRP 34 N 0.00 -0.13 0.00 1.25 7.01 0.23 -3.06 115.95 121.25 3i8f h TRP 34 Ca 0.21 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.21 3i8f h TRP 34 Cb 1.03 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 3i8f h TRP 34 CO 0.00 0.37 0.18 0.93 -2.79 0.00 0.00 178.44 177.13 3i8f h GLU 35 N -0.77 0.00 0.01 2.65 5.08 -0.13 0.14 114.58 121.55 3i8f h GLU 35 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i8f h GLU 35 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3i8f h GLU 35 CO 0.02 0.00 -0.00 0.28 -1.00 0.00 0.00 179.01 178.31 3i8f h VAL 36 N 0.00 1.58 0.33 3.13 2.07 -1.38 -2.90 116.25 119.08 3i8f h VAL 36 Ca 0.00 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 3i8f h VAL 36 Cb 0.36 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3i8f h VAL 36 CO 0.00 0.48 -0.16 0.58 0.02 0.00 0.00 177.57 178.49 3i8f h VAL 37 N -0.83 0.69 -0.96 2.57 2.07 -0.80 0.30 116.25 119.29 3i8f h VAL 37 Ca -0.00 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.61 3i8f h VAL 37 Cb 0.79 0.72 -0.16 0.00 -1.52 0.00 0.00 31.29 31.12 3i8f h VAL 37 CO 0.00 0.01 -0.39 -0.09 0.02 0.00 0.00 177.57 177.12 3i8f h ARG 38 N -0.47 -0.02 0.32 1.57 2.43 -0.95 1.10 114.38 118.36 3i8f h ARG 38 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i8f h ARG 38 Cb 0.36 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3i8f h ARG 38 CO 0.07 -0.01 -0.48 2.35 -1.51 0.00 0.00 179.97 180.39 3i8f h TRP 39 N -0.02 -1.35 0.00 2.20 7.01 -1.22 0.17 115.95 122.75 3i8f h TRP 39 Ca 0.33 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.35 3i8f h TRP 39 Cb 0.59 0.55 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 3i8f h TRP 39 CO -0.86 -0.61 0.00 1.04 -2.79 0.00 0.00 178.44 175.22 3i8f n GLN 40 N -5.52 0.00 0.13 2.65 1.13 0.36 -1.29 117.38 114.84 3i8f n GLN 40 Ca -0.10 0.58 -0.13 0.00 -1.94 0.00 0.00 57.00 55.41 3i8f n GLN 40 Cb 0.43 -0.88 -0.07 0.00 0.11 0.00 0.00 30.24 29.83 3i8f n GLN 40 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3i8f h LEU 41 N 0.00 -0.34 -0.23 1.08 3.38 -0.68 -3.14 115.31 115.38 3i8f h LEU 41 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3i8f h LEU 41 Cb 0.00 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3i8f h LEU 41 CO 0.00 -0.21 -0.17 0.00 0.09 0.00 0.00 178.44 178.15 3i8f h ALA 42 N 0.50 -0.27 -0.28 1.53 0.00 0.71 -0.88 119.26 120.56 3i8f h ALA 42 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3i8f h ALA 42 Cb 0.28 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3i8f h ALA 42 CO -0.01 -0.37 0.34 1.57 0.00 0.00 0.00 179.25 180.77 3i8f h LYS 43 N -0.05 0.00 -0.00 0.00 2.10 -1.28 0.09 116.57 117.42 3i8f h LYS 43 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3i8f h LYS 43 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3i8f h LYS 43 CO -0.24 0.00 -0.12 2.89 -2.00 0.00 0.00 179.45 179.98 3i8f n ARG 44 N -3.66 0.76 -2.25 0.07 1.85 -0.36 -4.67 116.66 108.40 3i8f n ARG 44 Ca 0.04 -0.30 -0.41 0.00 -1.00 0.00 0.00 57.85 56.19 3i8f n ARG 44 Cb 0.48 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 3i8f n ARG 44 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3i8f s ARG 45 N -2.45 4.43 0.04 2.89 3.52 0.02 -4.97 118.95 122.44 3i8f s ARG 45 Ca 0.29 2.04 0.07 0.00 -0.13 0.00 0.00 55.73 57.99 3i8f s ARG 45 Cb 0.20 -3.17 -0.23 0.00 -1.56 0.00 0.00 34.95 30.19 3i8f s ARG 45 CO 0.47 -0.14 0.98 0.00 -0.81 0.00 0.00 175.30 175.80 3i8f h ARG 46 N 4.60 0.06 -6.65 5.12 3.08 -1.89 -3.42 114.38 115.27 3i8f h ARG 46 Ca -0.46 -0.10 -0.53 0.00 0.07 0.00 0.00 59.98 58.96 3i8f h ARG 46 Cb 1.22 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 31.15 3i8f h ARG 46 CO 0.72 0.86 -0.85 0.41 -1.07 0.00 0.00 179.97 180.04 3i8f n GLY 47 N 1.49 -0.38 1.74 0.04 0.00 -1.26 -4.74 105.19 102.08 3i8f n GLY 47 Ca -0.09 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3i8f n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8f n THR 48 N -4.42 2.34 -3.00 2.61 -2.24 -1.26 -2.39 114.28 105.92 3i8f n THR 48 Ca -0.05 -1.21 -0.41 0.00 -2.27 0.00 0.00 64.05 60.12 3i8f n THR 48 Cb 0.55 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 3i8f n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8f s ALA 49 N -2.21 3.53 0.10 6.98 0.00 -1.26 -4.91 121.76 123.98 3i8f s ALA 49 Ca 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3i8f s ALA 49 Cb 0.31 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 3i8f s ALA 49 CO 0.08 -0.60 0.01 0.45 0.00 0.00 0.00 175.76 175.70 3i8f s SER 50 N 1.17 0.50 0.05 0.00 0.15 -1.26 -2.84 113.70 111.46 3i8f s SER 50 Ca 0.34 -1.10 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 3i8f s SER 50 Cb -0.16 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 3i8f s SER 50 CO 0.11 -0.64 0.12 0.42 1.20 0.00 0.00 173.24 174.45 3i8f s THR 51 N -3.94 0.14 -0.01 6.45 -4.23 -0.71 -4.90 115.64 108.44 3i8f s THR 51 Ca 0.16 -1.16 -0.20 0.00 -1.18 0.00 0.00 61.69 59.31 3i8f s THR 51 Cb 0.07 -1.06 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 3i8f s THR 51 CO -0.04 -0.64 0.57 -0.75 -0.54 0.00 0.00 174.62 173.22 3i8f s LYS 52 N -3.00 4.29 0.58 3.99 2.47 -1.26 -4.91 119.74 121.89 3i8f s LYS 52 Ca -0.02 0.69 -0.08 0.00 -1.56 0.00 0.00 55.97 55.01 3i8f s LYS 52 Cb 0.01 -3.34 0.13 0.00 -1.46 0.00 0.00 37.83 33.17 3i8f s LYS 52 CO -0.06 0.38 0.79 -2.37 0.16 0.00 0.00 175.35 174.25 3i8f n THR 53 N 2.70 0.00 -0.07 3.43 5.66 -1.26 -2.68 114.28 122.06 3i8f n THR 53 Ca -0.07 -0.73 -0.02 0.00 -3.05 0.00 0.00 64.05 60.18 3i8f n THR 53 Cb 0.51 -1.51 0.24 0.00 -1.55 0.00 0.00 70.33 68.02 3i8f n THR 53 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3i8f h ARG 54 N 0.00 0.70 0.04 1.09 2.43 -1.82 -2.90 114.38 113.92 3i8f h ARG 54 Ca -0.26 -0.14 -0.25 0.00 -0.81 0.00 0.00 59.98 58.52 3i8f h ARG 54 Cb 0.76 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3i8f h ARG 54 CO 0.20 0.66 -1.04 0.78 -1.51 0.00 0.00 179.97 179.06 3i8f h GLY 55 N 0.90 0.52 1.68 2.80 0.00 -1.92 -3.31 103.07 103.74 3i8f h GLY 55 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3i8f h GLY 55 CO 0.00 0.86 0.00 1.18 0.00 0.00 0.00 176.54 178.59 3i8f n GLU 56 N -3.74 0.19 -2.19 4.80 1.02 -1.11 -4.86 120.64 114.75 3i8f n GLU 56 Ca -0.09 0.13 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 3i8f n GLU 56 Cb 0.89 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.82 3i8f n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i8f s VAL 57 N -2.68 3.18 0.13 2.62 1.01 -1.14 -4.82 120.40 118.70 3i8f s VAL 57 Ca 0.15 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 3i8f s VAL 57 Cb 0.12 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3i8f s VAL 57 CO 0.29 -0.18 1.65 0.00 0.00 0.00 0.00 175.10 176.86 3i8f h ALA 58 N 1.04 -0.13 -0.90 5.51 0.00 -1.93 -3.46 119.26 119.39 3i8f h ALA 58 Ca -0.50 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 3i8f h ALA 58 Cb 1.26 0.38 0.08 0.00 0.00 0.00 0.00 17.79 19.51 3i8f h ALA 58 CO 0.57 -0.64 -0.51 0.66 0.00 0.00 0.00 179.25 179.32 3i8f n TYR 59 N -5.33 -1.28 -3.51 0.00 0.53 -1.26 -4.91 117.16 101.40 3i8f n TYR 59 Ca -0.03 0.21 -0.42 0.00 -1.02 0.00 0.00 57.90 56.64 3i8f n TYR 59 Cb 0.25 -0.77 -0.10 0.00 -1.03 0.00 0.00 39.34 37.69 3i8f n TYR 59 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3i8f s SER 60 N -0.45 5.96 0.00 7.72 0.15 -1.26 -5.04 113.70 120.78 3i8f s SER 60 Ca 0.26 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.89 3i8f s SER 60 Cb -0.23 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 3i8f s SER 60 CO 0.30 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3i8f n GLY 61 N 5.10 0.00 1.58 9.45 0.00 -1.26 -4.87 105.19 115.19 3i8f n GLY 61 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i8f n GLY 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8f n ARG 62 N 0.00 -0.89 -2.51 1.61 0.63 -1.26 -4.38 116.66 109.86 3i8f n ARG 62 Ca 0.00 0.64 -0.43 0.00 -0.92 0.00 0.00 57.85 57.14 3i8f n ARG 62 Cb 0.00 -1.12 -0.02 0.00 0.45 0.00 0.00 32.46 31.77 3i8f n ARG 62 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i8f s LYS 63 N -0.98 3.88 0.16 -0.14 2.20 -1.26 -4.09 119.74 119.51 3i8f s LYS 63 Ca 0.00 1.02 -0.16 0.00 -0.36 0.00 0.00 55.97 56.46 3i8f s LYS 63 Cb 0.00 -3.86 0.06 0.00 -1.51 0.00 0.00 37.83 32.52 3i8f s LYS 63 CO 0.00 -1.17 1.75 -0.84 -0.36 0.00 0.00 175.35 174.73 3i8f h ILE 64 N 6.01 0.88 -3.89 5.43 3.07 -1.72 -3.44 117.51 123.85 3i8f h ILE 64 Ca -0.24 -0.09 -0.37 0.00 1.55 0.00 0.00 64.86 65.71 3i8f h ILE 64 Cb 1.08 0.60 -0.21 0.00 -0.27 0.00 0.00 36.82 38.02 3i8f h ILE 64 CO 1.06 0.05 -0.76 0.26 -1.05 0.00 0.00 178.15 177.71 3i8f s TRP 65 N -6.16 1.09 0.29 0.16 0.51 -1.26 -5.03 118.94 108.54 3i8f s TRP 65 Ca -0.13 -0.50 0.00 0.00 -2.12 0.00 0.00 56.10 53.34 3i8f s TRP 65 Cb 0.12 -0.61 0.00 0.00 -0.81 0.00 0.00 33.47 32.17 3i8f s TRP 65 CO 0.71 0.02 0.51 -2.30 -0.51 0.00 0.00 176.95 175.39 3i8f n PRO 66 N 1.16 0.01 0.00 4.98 -0.02 -1.26 -4.70 135.00 135.17 3i8f n PRO 66 Ca -0.20 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3i8f n PRO 66 Cb 0.55 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3i8f n PRO 66 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i8f n GLN 67 N -1.39 0.00 -0.03 -0.52 -0.06 -1.26 -4.69 117.38 109.42 3i8f n GLN 67 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 3i8f n GLN 67 Cb 0.51 -0.02 -0.01 0.00 -4.06 0.00 0.00 30.24 26.67 3i8f n GLN 67 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3i8f n LYS 68 N 0.00 0.21 -0.05 3.69 3.00 -1.26 -4.59 118.16 119.15 3i8f n LYS 68 Ca 0.00 0.33 0.05 0.00 -0.00 0.00 0.00 58.31 58.69 3i8f n LYS 68 Cb 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 35.03 33.97 3i8f n LYS 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3i8f n HIS 69 N -3.32 0.00 0.27 5.64 8.25 -1.26 -4.65 115.22 120.14 3i8f n HIS 69 Ca -0.04 -0.74 0.11 0.00 -0.26 0.00 0.00 57.72 56.79 3i8f n HIS 69 Cb 0.14 -0.10 0.74 0.00 1.12 0.00 0.00 29.99 31.88 3i8f n HIS 69 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3i8f h THR 70 N 0.22 0.79 0.00 1.59 2.02 -1.94 -3.45 112.91 112.14 3i8f h THR 70 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3i8f h THR 70 Cb 0.79 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3i8f h THR 70 CO 0.00 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.54 3i8f n GLY 71 N -1.29 2.36 0.00 2.16 0.00 -1.26 -4.98 105.19 102.18 3i8f n GLY 71 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i8f n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 72 N -2.00 1.87 -4.45 1.61 5.12 -1.26 -5.07 116.66 112.48 3i8f n ARG 72 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 3i8f n ARG 72 Cb 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 3i8f n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8f s ALA 73 N -3.37 3.07 -0.46 7.54 0.00 -1.26 -5.05 121.76 122.24 3i8f s ALA 73 Ca 0.00 -0.83 -0.44 0.00 0.00 0.00 0.00 51.96 50.69 3i8f s ALA 73 Cb 0.00 -1.46 -0.18 0.00 0.00 0.00 0.00 23.12 21.48 3i8f s ALA 73 CO 0.00 0.40 1.90 -2.13 0.00 0.00 0.00 175.76 175.93 3i8f n ARG 74 N 2.85 0.24 -4.10 0.00 0.63 -1.26 -4.95 116.66 110.07 3i8f n ARG 74 Ca -0.18 0.08 -0.10 0.00 -0.92 0.00 0.00 57.85 56.73 3i8f n ARG 74 Cb 0.53 -1.66 -0.10 0.00 0.45 0.00 0.00 32.46 31.67 3i8f n ARG 74 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3i8f s HIS 75 N 4.73 0.66 0.00 -0.14 3.76 -1.26 -5.10 115.29 117.95 3i8f s HIS 75 Ca 1.11 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3i8f s HIS 75 Cb -1.39 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 31.88 3i8f s HIS 75 CO 0.70 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.80 3i8f n GLY 76 N 0.52 0.48 3.86 -2.22 0.00 -1.26 -4.56 105.19 102.01 3i8f n GLY 76 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3i8f n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i8f s ASP 77 N -0.86 6.03 1.05 1.61 -4.77 -1.26 -2.44 116.67 116.04 3i8f s ASP 77 Ca 0.00 0.16 -0.12 0.00 -3.30 0.00 0.00 52.55 49.29 3i8f s ASP 77 Cb 0.00 -1.77 0.22 0.00 -1.09 0.00 0.00 42.92 40.28 3i8f s ASP 77 CO 0.00 0.17 1.07 0.27 0.70 0.00 0.00 175.17 177.38 3i8f s ILE 78 N -1.45 2.15 0.00 2.11 -4.36 -1.26 -2.47 121.20 115.91 3i8f s ILE 78 Ca 0.32 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.76 3i8f s ILE 78 Cb -0.13 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.38 3i8f s ILE 78 CO 0.25 -0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.98 3i8f n GLY 79 N 0.18 3.23 3.75 6.27 0.00 -1.26 -4.86 105.19 112.50 3i8f n GLY 79 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3i8f n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8f s ALA 80 N -2.58 3.63 -0.36 4.61 0.00 -1.03 0.22 121.76 126.25 3i8f s ALA 80 Ca 0.00 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.41 3i8f s ALA 80 Cb 0.00 -3.57 0.23 0.00 0.00 0.00 0.00 23.12 19.78 3i8f s ALA 80 CO 0.00 -0.82 0.95 -0.35 0.00 0.00 0.00 175.76 175.54 3i8f n PRO 81 N 1.89 0.03 0.00 0.00 -0.04 -1.23 -0.47 135.00 135.18 3i8f n PRO 81 Ca 0.06 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 3i8f n PRO 81 Cb 0.40 -1.85 0.22 0.00 -0.04 0.00 0.00 33.50 32.23 3i8f n PRO 81 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3i8f n ILE 82 N -1.54 0.00 1.69 0.52 -5.35 -1.26 -4.38 119.36 109.04 3i8f n ILE 82 Ca -0.00 -0.03 0.06 0.00 -0.27 0.00 0.00 62.75 62.51 3i8f n ILE 82 Cb 0.26 0.39 0.35 0.00 -1.74 0.00 0.00 39.64 38.90 3i8f n ILE 82 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3i8f n PHE 83 N -1.33 0.00 0.00 4.28 3.01 0.38 -4.97 117.46 118.83 3i8f n PHE 83 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3i8f n PHE 83 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3i8f n PHE 83 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3i8f n VAL 84 N -0.72 0.00 0.26 -4.37 0.31 -1.26 -3.47 118.33 109.07 3i8f n VAL 84 Ca 0.09 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.50 3i8f n VAL 84 Cb 0.04 0.00 0.42 0.00 -0.91 0.00 0.00 33.84 33.39 3i8f n VAL 84 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i8f h GLY 85 N 0.00 0.00 -0.29 2.92 0.00 -1.93 -3.42 103.07 100.35 3i8f h GLY 85 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3i8f h GLY 85 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 3i8f n GLY 86 N -1.29 -2.40 3.92 4.60 0.00 -1.23 -4.69 105.19 104.09 3i8f n GLY 86 Ca -0.01 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 3i8f n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8f s GLY 87 N -1.58 1.87 0.40 -0.02 0.00 0.13 -4.86 107.32 103.26 3i8f s GLY 87 Ca 0.13 -0.72 -0.20 0.00 0.00 0.00 0.00 44.72 43.92 3i8f s GLY 87 CO 0.11 -0.66 0.91 0.54 0.00 0.00 0.00 173.10 174.01 3i8f s VAL 88 N -1.90 4.42 0.00 1.40 0.11 -1.09 -3.57 120.40 119.78 3i8f s VAL 88 Ca 0.40 1.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 3i8f s VAL 88 Cb -0.11 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 3i8f s VAL 88 CO 0.29 -0.25 0.00 0.52 -3.33 0.00 0.00 175.10 172.32 3i8f n VAL 89 N -0.48 0.00 -0.36 2.04 0.31 -1.26 -4.16 118.33 114.42 3i8f n VAL 89 Ca 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.37 3i8f n VAL 89 Cb 0.54 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 3i8f n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i8f n PHE 90 N 0.00 0.00 -1.63 3.52 3.72 -1.26 -4.89 117.46 116.93 3i8f n PHE 90 Ca 0.00 -0.66 -0.33 0.00 -0.05 0.00 0.00 57.45 56.41 3i8f n PHE 90 Cb 0.00 -0.55 0.06 0.00 -0.94 0.00 0.00 39.48 38.05 3i8f n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i8f s GLY 91 N 2.09 2.19 0.54 1.37 0.00 -1.26 -4.96 107.32 107.28 3i8f s GLY 91 Ca 0.09 0.64 -0.20 0.00 0.00 0.00 0.00 44.72 45.25 3i8f s GLY 91 CO 0.00 1.01 0.83 -1.55 0.00 0.00 0.00 173.10 173.39 3i8f n PRO 92 N -2.56 0.89 -3.85 2.90 -0.04 -1.26 -4.79 135.00 126.28 3i8f n PRO 92 Ca 0.11 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3i8f n PRO 92 Cb 0.51 -1.97 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 3i8f n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i8f s LYS 93 N -2.31 0.02 0.09 0.54 -0.14 -1.21 -1.74 119.74 114.99 3i8f s LYS 93 Ca 0.70 0.04 -0.31 0.00 -1.36 0.00 0.00 55.97 55.05 3i8f s LYS 93 Cb -0.47 -0.01 -0.17 0.00 -1.68 0.00 0.00 37.83 35.50 3i8f s LYS 93 CO 0.52 -0.02 0.72 -0.35 -0.76 0.00 0.00 175.35 175.46 3i8f n PRO 94 N 3.18 0.00 -3.82 -1.68 -0.04 -1.13 -4.87 135.00 126.64 3i8f n PRO 94 Ca -0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 3i8f n PRO 94 Cb 0.59 -1.13 0.03 0.00 -0.04 0.00 0.00 33.50 32.95 3i8f n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3i8f s ARG 95 N -0.44 2.08 -0.07 0.54 1.70 -1.01 -5.06 118.95 116.70 3i8f s ARG 95 Ca 0.70 -1.35 -0.00 0.00 -0.47 0.00 0.00 55.73 54.60 3i8f s ARG 95 Cb -0.99 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 33.99 3i8f s ARG 95 CO 0.51 -0.98 -0.03 0.16 -1.08 0.00 0.00 175.30 173.88 3i8f s ASP 96 N -3.17 1.41 0.21 -2.89 1.47 -1.26 -4.32 116.67 108.12 3i8f s ASP 96 Ca 0.17 -0.14 0.26 0.00 1.18 0.00 0.00 52.55 54.02 3i8f s ASP 96 Cb -0.05 -0.51 0.84 0.00 -0.34 0.00 0.00 42.92 42.86 3i8f s ASP 96 CO 0.11 -0.12 1.77 -1.22 0.68 0.00 0.00 175.17 176.39 3i8f n TYR 97 N 4.60 0.90 -1.50 2.11 4.01 -1.26 -4.93 117.16 121.09 3i8f n TYR 97 Ca -0.16 0.27 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 3i8f n TYR 97 Cb 0.50 -0.94 0.02 0.00 -0.31 0.00 0.00 39.34 38.61 3i8f n TYR 97 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3i8f n SER 98 N -2.24 -0.35 -3.63 7.72 3.41 -1.26 -4.61 113.62 112.65 3i8f n SER 98 Ca 0.05 0.90 -0.11 0.00 -0.26 0.00 0.00 58.87 59.45 3i8f n SER 98 Cb 0.41 -1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 63.09 3i8f n SER 98 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3i8f s TYR 99 N -1.48 -0.89 -0.59 7.33 1.13 -1.26 -4.98 117.35 116.61 3i8f s TYR 99 Ca 0.65 1.99 -0.26 0.00 -1.41 0.00 0.00 57.07 58.04 3i8f s TYR 99 Cb -0.55 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3i8f s TYR 99 CO 0.56 -0.44 1.09 0.95 -2.51 0.00 0.00 175.55 175.20 3i8f s THR 100 N 0.90 4.15 0.45 -3.49 -4.23 -1.26 -4.95 115.64 107.22 3i8f s THR 100 Ca -0.04 0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 60.74 3i8f s THR 100 Cb -0.05 -4.67 -0.08 0.00 1.34 0.00 0.00 72.50 69.04 3i8f s THR 100 CO -0.08 -1.32 1.12 -0.22 -0.54 0.00 0.00 174.62 173.58 3i8f s LEU 101 N 4.58 4.02 -0.26 4.79 2.96 -1.26 -4.88 118.68 128.62 3i8f s LEU 101 Ca 0.35 2.19 -0.37 0.00 -0.22 0.00 0.00 54.13 56.08 3i8f s LEU 101 Cb -0.10 -4.27 -0.13 0.00 0.50 0.00 0.00 46.19 42.18 3i8f s LEU 101 CO 0.20 -0.81 1.92 -2.65 -1.32 0.00 0.00 176.35 173.70 3i8f n PRO 102 N -0.46 1.36 -0.37 0.98 -0.02 -1.26 -4.81 135.00 130.42 3i8f n PRO 102 Ca 0.07 0.47 0.30 0.00 -2.02 0.00 0.00 63.50 62.32 3i8f n PRO 102 Cb 0.49 -2.34 0.56 0.00 -0.02 0.00 0.00 33.50 32.19 3i8f n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i8f h LYS 103 N 9.34 0.18 0.62 -0.52 1.57 -1.98 0.65 116.57 126.43 3i8f h LYS 103 Ca -0.40 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 3i8f h LYS 103 Cb 1.31 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.58 3i8f h LYS 103 CO 0.98 0.12 -0.30 0.87 -0.57 0.00 0.00 179.45 180.55 3i8f h LYS 104 N 0.18 -0.80 -1.15 3.15 1.57 -1.99 -1.30 116.57 116.23 3i8f h LYS 104 Ca 0.78 0.05 0.32 0.00 -1.87 0.00 0.00 60.65 59.93 3i8f h LYS 104 Cb 2.10 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 34.51 3i8f h LYS 104 CO -0.54 -0.50 0.77 0.28 -0.57 0.00 0.00 179.45 178.90 3i8f h VAL 105 N -0.96 0.42 0.00 0.50 2.07 -0.13 0.93 116.25 119.08 3i8f h VAL 105 Ca -0.09 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3i8f h VAL 105 Cb 0.68 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3i8f h VAL 105 CO 0.14 0.04 -0.42 0.03 0.02 0.00 0.00 177.57 177.37 3i8f h ARG 106 N 0.21 0.00 0.00 1.57 3.08 -0.23 0.45 114.38 119.46 3i8f h ARG 106 Ca 0.62 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.54 3i8f h ARG 106 Cb 1.96 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 3i8f h ARG 106 CO -0.21 0.42 -1.15 0.87 -1.07 0.00 0.00 179.97 178.83 3i8f h LYS 107 N 0.00 0.00 0.16 0.04 1.79 0.19 -3.16 116.57 115.59 3i8f h LYS 107 Ca -0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.17 3i8f h LYS 107 Cb 0.81 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.49 3i8f h LYS 107 CO 0.06 0.28 -1.24 0.87 -1.08 0.00 0.00 179.45 178.33 3i8f h LYS 108 N 0.00 0.57 0.13 3.15 1.79 -0.78 -3.06 116.57 118.38 3i8f h LYS 108 Ca -0.11 -0.82 -0.00 0.00 -2.18 0.00 0.00 60.65 57.54 3i8f h LYS 108 Cb 1.45 0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 32.38 3i8f h LYS 108 CO 0.04 1.38 -0.08 0.78 -1.08 0.00 0.00 179.45 180.49 3i8f h GLY 109 N 0.16 -0.20 0.35 3.86 0.00 -1.02 -1.63 103.07 104.59 3i8f h GLY 109 Ca -0.20 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3i8f h GLY 109 CO 0.24 -0.08 -0.51 -2.00 0.00 0.00 0.00 176.54 174.18 3i8f h LEU 110 N -0.20 -1.47 -0.35 3.11 6.46 -1.66 0.17 115.31 121.37 3i8f h LEU 110 Ca -0.01 0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3i8f h LEU 110 Cb 0.17 0.51 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 3i8f h LEU 110 CO 0.02 -0.62 -0.21 0.00 -0.62 0.00 0.00 178.44 177.01 3i8f n ALA 111 N -2.86 -0.23 0.06 1.25 0.00 -1.13 0.83 120.51 118.43 3i8f n ALA 111 Ca -0.10 0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.79 3i8f n ALA 111 Cb 0.44 0.21 0.64 0.00 0.00 0.00 0.00 19.45 20.73 3i8f n ALA 111 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3i8f h MET 112 N 0.00 0.08 0.42 0.00 2.86 -0.99 0.32 114.93 117.61 3i8f h MET 112 Ca 0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3i8f h MET 112 Cb 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3i8f h MET 112 CO -0.33 0.06 -0.33 0.00 1.06 0.00 0.00 176.91 177.37 3i8f h ALA 113 N 1.80 -0.75 -0.68 6.32 0.00 0.35 -0.51 119.26 125.79 3i8f h ALA 113 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i8f h ALA 113 Cb 0.62 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i8f h ALA 113 CO -0.02 -0.95 0.00 0.28 0.00 0.00 0.00 179.25 178.57 3i8f n VAL 114 N -5.45 0.00 -0.10 0.00 0.31 -0.17 -3.10 118.33 109.83 3i8f n VAL 114 Ca -0.11 1.39 -0.03 0.00 -0.01 0.00 0.00 64.34 65.58 3i8f n VAL 114 Cb 0.35 -2.29 -0.02 0.00 -0.91 0.00 0.00 33.84 30.96 3i8f n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8f n ALA 115 N -1.83 -0.16 -0.31 3.52 0.00 -0.08 0.16 120.51 121.82 3i8f n ALA 115 Ca 0.00 0.21 0.30 0.00 0.00 0.00 0.00 53.44 53.95 3i8f n ALA 115 Cb 0.00 0.18 0.55 0.00 0.00 0.00 0.00 19.45 20.18 3i8f n ALA 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i8f n ASP 116 N -3.47 0.30 -0.06 0.00 2.03 -0.20 0.13 116.55 115.28 3i8f n ASP 116 Ca 0.00 1.48 -0.12 0.00 0.52 0.00 0.00 54.79 56.68 3i8f n ASP 116 Cb 0.06 -0.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.63 3i8f n ASP 116 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3i8f h ARG 117 N 0.00 -0.01 0.00 -0.67 9.65 -0.22 -3.18 114.38 119.95 3i8f h ARG 117 Ca 0.78 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.66 3i8f h ARG 117 Cb 2.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.70 3i8f h ARG 117 CO -0.67 0.78 0.31 0.00 2.80 0.00 0.00 179.97 183.18 3i8f h ALA 118 N -0.13 1.29 0.00 2.80 0.00 0.12 1.04 119.26 124.39 3i8f h ALA 118 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i8f h ALA 118 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i8f h ALA 118 CO 0.00 -0.29 -0.86 -0.09 0.00 0.00 0.00 179.25 178.01 3i8f h ARG 119 N 0.00 0.00 0.00 0.00 2.43 -0.69 -3.24 114.38 112.88 3i8f h ARG 119 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i8f h ARG 119 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3i8f h ARG 119 CO 0.00 0.00 -0.32 0.93 -1.51 0.00 0.00 179.97 179.07 3i8f h GLU 120 N 0.00 0.00 0.00 0.20 5.08 0.11 -3.47 114.58 116.51 3i8f h GLU 120 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i8f h GLU 120 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3i8f h GLU 120 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3i8f n GLY 121 N 1.26 1.51 3.09 -3.84 0.00 -0.96 -5.12 105.19 101.14 3i8f n GLY 121 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3i8f n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f s LYS 122 N -0.46 0.73 0.00 1.61 -0.14 -1.13 -4.93 119.74 115.43 3i8f s LYS 122 Ca 0.00 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 3i8f s LYS 122 Cb 0.00 -0.67 0.00 0.00 -1.68 0.00 0.00 37.83 35.48 3i8f s LYS 122 CO 0.00 0.16 0.00 -0.11 -0.76 0.00 0.00 175.35 174.64 3i8f n LEU 123 N 1.94 0.00 -1.17 3.17 7.94 -1.04 -2.87 117.00 124.97 3i8f n LEU 123 Ca -0.19 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.66 3i8f n LEU 123 Cb 0.55 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 3i8f n LEU 123 CO 0.23 0.00 -0.05 -0.11 -1.11 0.00 0.00 177.39 176.35 3i8f n LEU 124 N 0.00 -0.39 -1.43 -1.96 7.94 -1.26 -3.66 117.00 116.25 3i8f n LEU 124 Ca 0.00 0.13 -0.07 0.00 -1.11 0.00 0.00 56.01 54.96 3i8f n LEU 124 Cb 0.00 -1.11 -0.07 0.00 0.53 0.00 0.00 43.42 42.77 3i8f n LEU 124 CO 0.00 -0.28 0.67 0.00 -1.11 0.00 0.00 177.39 176.67 3i8f n LEU 125 N -1.37 -0.42 0.00 -1.96 -0.00 -1.26 -4.27 117.00 107.72 3i8f n LEU 125 Ca -0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3i8f n LEU 125 Cb 0.18 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8f n LEU 125 CO 0.08 -0.44 0.00 1.33 -0.00 0.00 0.00 177.39 178.36 3i8f n VAL 126 N 1.80 0.00 0.00 1.47 0.24 0.58 -2.99 118.33 119.42 3i8f n VAL 126 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 3i8f n VAL 126 Cb 0.04 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 3i8f n VAL 126 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i8f n GLU 127 N 0.00 0.00 0.00 7.34 4.07 -1.26 -2.86 120.64 127.92 3i8f n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i8f n GLU 127 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i8f n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8f n ALA 128 N 0.00 1.15 -1.40 4.31 0.00 -1.24 -4.73 120.51 118.59 3i8f n ALA 128 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3i8f n ALA 128 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 3i8f n ALA 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8f n PHE 129 N 0.65 0.68 0.21 0.00 3.72 -1.26 -4.54 117.46 116.92 3i8f n PHE 129 Ca 0.00 -0.15 0.11 0.00 -0.05 0.00 0.00 57.45 57.35 3i8f n PHE 129 Cb 0.00 -2.11 0.19 0.00 -0.94 0.00 0.00 39.48 36.62 3i8f n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i8f h ALA 130 N 11.07 0.95 -1.21 4.37 0.00 -1.99 -3.40 119.26 129.06 3i8f h ALA 130 Ca 0.02 -0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.20 3i8f h ALA 130 Cb 0.97 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 3i8f h ALA 130 CO 1.06 0.10 1.65 0.20 0.00 0.00 0.00 179.25 182.26 3i8f s GLY 131 N -4.25 1.65 0.00 0.00 0.00 -1.26 -4.92 107.32 98.54 3i8f s GLY 131 Ca 0.06 -2.72 0.00 0.00 0.00 0.00 0.00 44.72 42.06 3i8f s GLY 131 CO 0.67 2.52 0.00 1.55 0.00 0.00 0.00 173.10 177.85 3i8f n VAL 132 N 6.21 0.00 0.00 1.40 3.14 -1.26 -4.44 118.33 123.38 3i8f n VAL 132 Ca 0.38 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 3i8f n VAL 132 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 3i8f n VAL 132 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i8f n ASN 133 N 0.00 0.00 -0.05 6.55 4.13 -1.26 -3.38 115.26 121.25 3i8f n ASN 133 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3i8f n ASN 133 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3i8f n ASN 133 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i8f n GLY 134 N 0.00 0.91 3.48 7.41 0.00 -1.26 -5.01 105.19 110.71 3i8f n GLY 134 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3i8f n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8f s LYS 135 N -0.20 3.07 0.24 1.61 2.47 -1.22 -4.33 119.74 121.38 3i8f s LYS 135 Ca 0.00 -0.62 -0.06 0.00 -1.56 0.00 0.00 55.97 53.73 3i8f s LYS 135 Cb 0.00 -2.62 0.31 0.00 -1.46 0.00 0.00 37.83 34.06 3i8f s LYS 135 CO 0.00 0.43 1.87 1.15 0.16 0.00 0.00 175.35 178.96 3i8f h THR 136 N 4.81 1.10 -0.57 3.43 2.02 -1.92 -1.71 112.91 120.07 3i8f h THR 136 Ca -0.37 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 3i8f h THR 136 Cb 1.18 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3i8f h THR 136 CO 0.55 0.20 0.09 0.11 0.37 0.00 0.00 175.52 176.83 3i8f h LYS 137 N 1.07 0.91 0.15 6.66 1.57 -1.96 0.39 116.57 125.37 3i8f h LYS 137 Ca 0.37 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3i8f h LYS 137 Cb 0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3i8f h LYS 137 CO -0.14 0.85 -0.10 0.93 -0.57 0.00 0.00 179.45 180.42 3i8f h GLU 138 N 0.87 -0.22 -0.78 3.15 5.08 -1.70 -1.08 114.58 119.89 3i8f h GLU 138 Ca 0.18 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.73 3i8f h GLU 138 Cb 0.39 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3i8f h GLU 138 CO 0.01 -0.15 0.53 0.35 -1.00 0.00 0.00 179.01 178.75 3i8f h PHE 139 N -0.23 0.38 0.08 4.33 3.57 -1.39 -1.70 116.94 121.98 3i8f h PHE 139 Ca -0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3i8f h PHE 139 Cb 0.19 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3i8f h PHE 139 CO 0.04 0.13 -0.29 1.25 -2.23 0.00 0.00 178.31 177.21 3i8f h LEU 140 N 0.31 -0.83 -0.41 0.59 5.85 0.32 0.01 115.31 121.15 3i8f h LEU 140 Ca 0.39 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 59.15 3i8f h LEU 140 Cb 1.07 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3i8f h LEU 140 CO -0.11 -0.37 0.02 0.00 -0.34 0.00 0.00 178.44 177.64 3i8f h ALA 141 N 0.24 0.54 -0.70 1.25 0.00 -0.37 -1.59 119.26 118.64 3i8f h ALA 141 Ca 0.04 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3i8f h ALA 141 Cb 0.53 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 3i8f h ALA 141 CO -0.19 0.31 0.07 2.35 0.00 0.00 0.00 179.25 181.78 3i8f h TRP 142 N 0.54 0.07 -0.23 0.00 7.01 -1.02 1.10 115.95 123.43 3i8f h TRP 142 Ca 0.12 0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.11 3i8f h TRP 142 Cb 0.45 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 3i8f h TRP 142 CO 0.03 -0.16 -0.11 0.00 -2.79 0.00 0.00 178.44 175.42 3i8f h ALA 143 N 1.62 1.39 -0.62 2.65 0.00 -0.62 -1.41 119.26 122.26 3i8f h ALA 143 Ca 0.38 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3i8f h ALA 143 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3i8f h ALA 143 CO -0.56 0.42 0.01 -0.22 0.00 0.00 0.00 179.25 178.90 3i8f h LYS 144 N 0.35 1.09 -1.10 0.00 3.64 0.18 0.62 116.57 121.35 3i8f h LYS 144 Ca 0.07 -0.34 -0.27 0.00 -1.27 0.00 0.00 60.65 58.84 3i8f h LYS 144 Cb 0.41 -0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 31.98 3i8f h LYS 144 CO 0.02 1.05 0.34 0.39 -2.27 0.00 0.00 179.45 178.99 3i8f n GLU 145 N -4.18 1.65 0.00 1.90 -0.58 0.30 -3.16 120.64 116.57 3i8f n GLU 145 Ca 0.03 -1.49 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 3i8f n GLU 145 Cb 0.34 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3i8f n GLU 145 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8f n ALA 146 N -0.18 0.00 -0.48 0.62 0.00 -0.74 -4.97 120.51 114.76 3i8f n ALA 146 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3i8f n ALA 146 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 3i8f n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 147 N 0.00 0.84 3.50 0.00 0.00 -0.81 -4.99 105.19 103.73 3i8f n GLY 147 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i8f n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8f s LEU 148 N 0.00 4.20 -0.32 0.99 1.43 0.21 -4.84 118.68 120.35 3i8f s LEU 148 Ca 0.00 -1.43 0.10 0.00 -1.03 0.00 0.00 54.13 51.76 3i8f s LEU 148 Cb 0.00 -2.47 0.65 0.00 0.03 0.00 0.00 46.19 44.40 3i8f s LEU 148 CO 0.00 -1.38 1.70 -0.90 0.23 0.00 0.00 176.35 176.00 3i8f n ASP 149 N 7.86 4.01 -1.11 2.29 5.75 -1.26 -3.64 116.55 130.45 3i8f n ASP 149 Ca 0.18 -3.38 -0.13 0.00 -0.01 0.00 0.00 54.79 51.44 3i8f n ASP 149 Cb 0.49 -0.71 -0.06 0.00 -1.03 0.00 0.00 41.12 39.81 3i8f n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i8f n GLY 150 N -0.60 1.26 0.34 6.12 0.00 -1.26 -4.75 105.19 106.29 3i8f n GLY 150 Ca 0.40 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.53 3i8f n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i8f n SER 151 N -0.90 1.61 -3.83 1.61 7.64 -1.26 -4.88 113.62 113.62 3i8f n SER 151 Ca -0.13 -1.27 -0.13 0.00 1.01 0.00 0.00 58.87 58.35 3i8f n SER 151 Cb 0.55 0.53 -0.14 0.00 -1.01 0.00 0.00 64.21 64.14 3i8f n SER 151 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3i8f s GLU 152 N -2.61 0.05 0.51 1.43 2.02 -1.26 -5.13 118.70 113.70 3i8f s GLU 152 Ca 0.17 0.12 -0.23 0.00 0.02 0.00 0.00 54.97 55.05 3i8f s GLU 152 Cb 0.18 -0.04 -0.06 0.00 0.10 0.00 0.00 34.13 34.31 3i8f s GLU 152 CO 0.63 -0.05 1.34 -1.12 0.02 0.00 0.00 175.26 176.08 3i8f s SER 153 N 0.31 5.58 -0.07 -0.19 0.01 -1.26 -4.78 113.70 113.28 3i8f s SER 153 Ca -0.02 2.71 0.02 0.00 1.31 0.00 0.00 55.95 59.97 3i8f s SER 153 Cb -0.03 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.58 3i8f s SER 153 CO -0.01 -1.36 -0.12 -0.69 0.41 0.00 0.00 173.24 171.47 3i8f s VAL 154 N -1.32 1.17 -1.03 3.43 1.01 -0.49 0.10 120.40 123.28 3i8f s VAL 154 Ca 0.68 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 3i8f s VAL 154 Cb -0.39 -1.08 0.28 0.00 0.00 0.00 0.00 36.38 35.20 3i8f s VAL 154 CO 0.47 0.37 1.23 -0.11 0.00 0.00 0.00 175.10 177.05 3i8f n LEU 155 N 3.96 5.65 -4.65 3.92 7.94 -0.83 -0.73 117.00 132.25 3i8f n LEU 155 Ca -0.21 -5.18 -0.42 0.00 -1.11 0.00 0.00 56.01 49.08 3i8f n LEU 155 Cb 0.51 -1.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 3i8f n LEU 155 CO 0.24 1.62 1.46 -0.22 -1.11 0.00 0.00 177.39 179.38 3i8f s LEU 156 N -2.19 4.26 -0.30 -1.96 2.96 -0.44 -3.01 118.68 117.99 3i8f s LEU 156 Ca 0.31 2.26 0.03 0.00 -0.22 0.00 0.00 54.13 56.52 3i8f s LEU 156 Cb 0.00 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.24 3i8f s LEU 156 CO 0.02 -1.05 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.27 3i8f s VAL 157 N 4.51 2.28 0.04 1.68 1.01 0.09 -2.27 120.40 127.74 3i8f s VAL 157 Ca 0.79 -1.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 3i8f s VAL 157 Cb -0.35 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3i8f s VAL 157 CO 0.33 -0.29 0.04 0.28 0.00 0.00 0.00 175.10 175.46 3i8f s THR 158 N 1.02 0.15 -0.06 3.92 -1.32 -1.03 -2.18 115.64 116.14 3i8f s THR 158 Ca -0.00 -1.22 -0.26 0.00 -1.21 0.00 0.00 61.69 59.00 3i8f s THR 158 Cb -0.20 -0.90 -0.23 0.00 -1.51 0.00 0.00 72.50 69.66 3i8f s THR 158 CO -0.06 -0.67 1.05 1.23 -2.21 0.00 0.00 174.62 173.96 3i8f h GLY 159 N 3.75 0.07 -5.01 6.08 0.00 -1.94 -3.33 103.07 102.69 3i8f h GLY 159 Ca -0.33 -0.11 -0.53 0.00 0.00 0.00 0.00 47.33 46.37 3i8f h GLY 159 CO 0.52 0.10 1.12 0.21 0.00 0.00 0.00 176.54 178.48 3i8f s ASN 160 N -6.05 6.43 0.07 0.19 3.84 -1.26 -4.91 114.94 113.26 3i8f s ASN 160 Ca -0.17 2.74 -0.16 0.00 0.21 0.00 0.00 52.86 55.49 3i8f s ASN 160 Cb 0.00 -2.56 -0.16 0.00 -0.55 0.00 0.00 41.25 37.98 3i8f s ASN 160 CO 0.70 -1.00 1.28 -0.33 -2.79 0.00 0.00 177.10 174.96 3i8f h GLU 161 N 8.73 0.64 -0.82 0.43 5.08 -1.98 -3.19 114.58 123.47 3i8f h GLU 161 Ca -0.46 -0.49 0.15 0.00 -1.00 0.00 0.00 59.36 57.55 3i8f h GLU 161 Cb 1.22 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.41 3i8f h GLU 161 CO 0.95 1.11 -0.30 -0.07 -1.00 0.00 0.00 179.01 179.70 3i8f h LEU 162 N 0.31 -1.10 0.41 1.33 4.07 -1.95 2.31 115.31 120.69 3i8f h LEU 162 Ca -0.03 0.27 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3i8f h LEU 162 Cb 1.19 0.62 -0.02 0.00 1.08 0.00 0.00 40.66 43.53 3i8f h LEU 162 CO 0.12 -0.29 -0.34 0.58 -1.08 0.00 0.00 178.44 177.43 3i8f h VAL 163 N -0.05 0.30 -0.92 1.22 2.07 -1.84 0.87 116.25 117.91 3i8f h VAL 163 Ca 0.34 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.06 3i8f h VAL 163 Cb 0.60 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 3i8f h VAL 163 CO -0.86 0.00 0.47 -0.09 0.02 0.00 0.00 177.57 177.12 3i8f h ARG 164 N -0.75 0.54 0.64 1.57 2.43 0.13 -0.68 114.38 118.25 3i8f h ARG 164 Ca -0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3i8f h ARG 164 Cb 0.65 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3i8f h ARG 164 CO -0.02 0.35 -0.31 0.00 -1.51 0.00 0.00 179.97 178.49 3i8f h ARG 165 N 0.55 -0.83 0.00 0.20 3.08 0.41 -2.23 114.38 115.56 3i8f h ARG 165 Ca 0.55 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.65 3i8f h ARG 165 Cb 0.94 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3i8f h ARG 165 CO -0.45 -0.52 0.35 0.00 -1.07 0.00 0.00 179.97 178.28 3i8f h ALA 166 N -1.10 1.32 -0.01 0.04 0.00 -0.14 0.44 119.26 119.81 3i8f h ALA 166 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i8f h ALA 166 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i8f h ALA 166 CO 0.14 -0.32 -0.52 0.00 0.00 0.00 0.00 179.25 178.55 3i8f n ALA 167 N -1.77 3.57 -0.03 0.00 0.00 -0.33 -3.81 120.51 118.14 3i8f n ALA 167 Ca -0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 3i8f n ALA 167 Cb 0.39 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 3i8f n ALA 167 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i8f h ARG 168 N 0.91 0.10 0.00 0.00 2.43 -0.27 -3.16 114.38 114.38 3i8f h ARG 168 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i8f h ARG 168 Cb 0.45 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3i8f h ARG 168 CO 0.00 0.07 0.00 -1.71 -1.51 0.00 0.00 179.97 176.82 3i8f n ASN 169 N -5.09 0.28 -4.74 -3.80 2.85 -1.26 -4.79 115.26 98.72 3i8f n ASN 169 Ca -0.03 0.57 -0.41 0.00 -0.11 0.00 0.00 54.58 54.60 3i8f n ASN 169 Cb 0.08 -0.63 -0.04 0.00 1.24 0.00 0.00 39.78 40.44 3i8f n ASN 169 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3i8f s LEU 170 N -3.63 4.46 0.35 1.20 1.02 -1.20 -4.94 118.68 115.94 3i8f s LEU 170 Ca 0.05 2.15 0.07 0.00 0.02 0.00 0.00 54.13 56.42 3i8f s LEU 170 Cb 0.09 -3.60 0.64 0.00 0.02 0.00 0.00 46.19 43.34 3i8f s LEU 170 CO 0.30 -0.31 1.84 1.55 0.02 0.00 0.00 176.35 179.75 3i8f h PRO 171 N 5.31 0.31 -0.06 1.29 0.13 -1.91 -2.79 132.00 134.29 3i8f h PRO 171 Ca -0.44 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3i8f h PRO 171 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i8f h PRO 171 CO 0.74 0.49 0.00 -2.67 -0.23 0.00 0.00 178.00 176.33 3i8f n TRP 172 N -4.21 0.06 -4.65 1.56 4.27 -1.26 -4.89 117.44 108.32 3i8f n TRP 172 Ca -0.00 -0.03 -0.30 0.00 -3.89 0.00 0.00 57.50 53.28 3i8f n TRP 172 Cb 0.32 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.14 3i8f n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3i8f s VAL 173 N -1.94 2.28 -0.12 -1.67 1.01 -1.05 -1.39 120.40 117.52 3i8f s VAL 173 Ca 0.37 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 3i8f s VAL 173 Cb 0.20 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.68 3i8f s VAL 173 CO 0.31 0.24 0.09 -0.69 0.00 0.00 0.00 175.10 175.05 3i8f s VAL 174 N -0.93 -0.11 0.09 2.92 1.01 0.09 -4.73 120.40 118.73 3i8f s VAL 174 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 3i8f s VAL 174 Cb -0.10 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3i8f s VAL 174 CO 0.04 -0.10 0.12 1.07 0.00 0.00 0.00 175.10 176.23 3i8f n THR 175 N 5.29 0.00 0.00 3.92 5.66 -1.26 -1.33 114.28 126.56 3i8f n THR 175 Ca -0.05 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3i8f n THR 175 Cb 0.49 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 3i8f n THR 175 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3i8f n LEU 176 N 0.00 0.00 -4.69 1.09 7.94 -0.96 -4.79 117.00 115.59 3i8f n LEU 176 Ca 0.02 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.56 3i8f n LEU 176 Cb 0.06 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.10 3i8f n LEU 176 CO 0.04 0.00 0.76 0.00 -1.11 0.00 0.00 177.39 177.08 3i8f n ALA 177 N 0.00 0.38 -0.33 1.96 0.00 -1.26 -2.48 120.51 118.78 3i8f n ALA 177 Ca 0.00 -0.17 0.21 0.00 0.00 0.00 0.00 53.44 53.48 3i8f n ALA 177 Cb 0.00 -2.25 0.48 0.00 0.00 0.00 0.00 19.45 17.68 3i8f n ALA 177 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i8f h PRO 178 N -0.19 0.44 0.00 0.00 0.13 -1.85 0.95 132.00 131.48 3i8f h PRO 178 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3i8f h PRO 178 Cb 1.32 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3i8f h PRO 178 CO 0.49 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 178.94 3i8f n GLU 179 N -4.68 0.71 0.00 0.86 4.71 -1.26 -3.33 120.64 117.66 3i8f n GLU 179 Ca 0.25 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.51 3i8f n GLU 179 Cb 0.83 -1.21 0.07 0.00 -1.01 0.00 0.00 31.44 30.12 3i8f n GLU 179 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i8f n GLY 180 N 0.30 0.61 3.34 0.62 0.00 0.33 -5.00 105.19 105.38 3i8f n GLY 180 Ca 0.07 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3i8f n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8f n LEU 181 N 1.01 -1.33 0.00 0.99 4.32 -1.21 -4.99 117.00 115.79 3i8f n LEU 181 Ca 0.12 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 3i8f n LEU 181 Cb 0.51 -1.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.20 3i8f n LEU 181 CO 0.15 -4.09 0.00 -0.46 -1.22 0.00 0.00 177.39 171.77 3i8f n ASN 182 N -0.27 0.00 -0.31 -1.43 0.23 -1.26 -5.05 115.26 107.17 3i8f n ASN 182 Ca 0.05 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.26 3i8f n ASN 182 Cb 0.54 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.58 3i8f n ASN 182 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 3i8f h VAL 183 N 0.00 0.40 0.25 3.53 -1.51 -1.91 -1.89 116.25 115.13 3i8f h VAL 183 Ca 0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 3i8f h VAL 183 Cb 0.00 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.18 3i8f h VAL 183 CO 0.00 0.06 -0.17 0.22 -1.23 0.00 0.00 177.57 176.45 3i8f h TYR 184 N 0.35 -0.46 -0.33 5.19 3.20 -1.94 1.54 116.97 124.52 3i8f h TYR 184 Ca 0.60 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.57 3i8f h TYR 184 Cb 1.22 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 3i8f h TYR 184 CO -0.13 -0.25 0.30 -0.44 -1.64 0.00 0.00 178.16 176.00 3i8f h ASP 185 N -0.40 0.00 0.28 -2.11 5.19 -1.93 0.65 116.42 118.10 3i8f h ASP 185 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 3i8f h ASP 185 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 3i8f h ASP 185 CO 0.02 0.00 -0.14 0.40 -3.12 0.00 0.00 179.24 176.41 3i8f h ILE 186 N 0.00 0.14 0.00 0.35 1.08 -0.72 -3.19 117.51 115.17 3i8f h ILE 186 Ca 0.16 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3i8f h ILE 186 Cb 0.75 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3i8f h ILE 186 CO -0.00 0.04 -0.01 0.58 -0.69 0.00 0.00 178.15 178.06 3i8f h VAL 187 N -1.08 0.90 0.39 1.67 2.07 0.27 -2.92 116.25 117.55 3i8f h VAL 187 Ca -0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3i8f h VAL 187 Cb 0.35 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3i8f h VAL 187 CO 0.06 0.01 -0.50 -0.09 0.02 0.00 0.00 177.57 177.08 3i8f h ARG 188 N 0.00 -0.88 -7.33 1.57 2.43 0.25 -3.44 114.38 106.97 3i8f h ARG 188 Ca -0.00 0.06 -0.43 0.00 -0.81 0.00 0.00 59.98 58.80 3i8f h ARG 188 Cb 0.03 0.20 0.18 0.00 -0.42 0.00 0.00 29.97 29.96 3i8f h ARG 188 CO 0.00 -0.59 0.13 0.95 -1.51 0.00 0.00 179.97 178.95 3i8f s THR 189 N -5.86 1.78 -0.24 0.20 -4.23 -1.11 -5.03 115.64 101.16 3i8f s THR 189 Ca -0.17 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.40 3i8f s THR 189 Cb 0.05 -2.42 -0.19 0.00 1.34 0.00 0.00 72.50 71.28 3i8f s THR 189 CO 0.61 0.00 -0.14 -0.62 -0.54 0.00 0.00 174.62 173.93 3i8f n GLU 190 N -4.61 0.67 -4.24 3.99 1.02 -1.08 -4.94 120.64 111.45 3i8f n GLU 190 Ca 0.09 0.10 -0.20 0.00 -0.02 0.00 0.00 57.16 57.12 3i8f n GLU 190 Cb 0.58 -1.51 -0.16 0.00 -0.02 0.00 0.00 31.44 30.32 3i8f n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i8f s ARG 191 N -2.51 0.94 0.22 3.49 0.52 0.12 -4.90 118.95 116.82 3i8f s ARG 191 Ca -0.28 -0.16 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 3i8f s ARG 191 Cb 0.08 -0.90 -0.07 0.00 0.52 0.00 0.00 34.95 34.59 3i8f s ARG 191 CO 0.66 -0.05 0.51 -1.17 0.02 0.00 0.00 175.30 175.27 3i8f s LEU 192 N 0.82 4.17 -0.17 2.53 0.20 -1.26 -1.96 118.68 123.00 3i8f s LEU 192 Ca -0.12 0.81 -0.11 0.00 0.69 0.00 0.00 54.13 55.41 3i8f s LEU 192 Cb -0.14 -3.58 0.06 0.00 -0.43 0.00 0.00 46.19 42.10 3i8f s LEU 192 CO 0.01 -0.06 0.42 -0.69 -0.29 0.00 0.00 176.35 175.74 3i8f s VAL 193 N -1.82 -0.02 0.13 1.68 1.01 -1.17 -2.50 120.40 117.71 3i8f s VAL 193 Ca 0.45 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 3i8f s VAL 193 Cb -0.11 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3i8f s VAL 193 CO 0.23 0.03 0.29 0.00 0.00 0.00 0.00 175.10 175.66 3i8f s MET 194 N 1.20 1.02 0.18 2.72 0.23 -1.25 -0.73 119.30 122.67 3i8f s MET 194 Ca -0.08 -0.94 -0.30 0.00 -1.03 0.00 0.00 55.69 53.34 3i8f s MET 194 Cb -0.07 0.40 -0.08 0.00 -1.53 0.00 0.00 34.83 33.55 3i8f s MET 194 CO -0.11 -0.37 1.10 0.34 -2.03 0.00 0.00 175.02 173.95 3i8f s ASP 195 N -2.87 7.27 0.40 -1.18 -1.08 -0.92 -0.31 116.67 117.97 3i8f s ASP 195 Ca 0.08 2.08 0.06 0.00 -0.52 0.00 0.00 52.55 54.26 3i8f s ASP 195 Cb 0.03 -2.60 0.82 0.00 -1.46 0.00 0.00 42.92 39.71 3i8f s ASP 195 CO -0.08 -0.22 2.04 -0.07 0.52 0.00 0.00 175.17 177.37 3i8f h LEU 196 N 5.10 0.53 -1.33 -1.34 3.38 -1.80 1.18 115.31 121.04 3i8f h LEU 196 Ca -0.44 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.56 3i8f h LEU 196 Cb 1.21 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3i8f h LEU 196 CO 0.72 0.38 0.48 -0.78 0.09 0.00 0.00 178.44 179.33 3i8f h ASP 197 N 0.62 0.75 1.19 -0.43 1.82 -1.91 -0.59 116.42 117.86 3i8f h ASP 197 Ca 0.18 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 3i8f h ASP 197 Cb -0.02 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.80 3i8f h ASP 197 CO -0.04 0.51 -0.85 0.00 -1.61 0.00 0.00 179.24 177.24 3i8f h ALA 198 N 1.58 0.67 0.00 -0.78 0.00 -0.42 -3.09 119.26 117.22 3i8f h ALA 198 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i8f h ALA 198 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i8f h ALA 198 CO -0.09 0.53 0.00 1.87 0.00 0.00 0.00 179.25 181.56 3i8f n TRP 199 N -2.99 0.35 -0.06 0.00 -0.00 0.36 -2.82 117.44 112.28 3i8f n TRP 199 Ca -0.02 0.14 -0.09 0.00 -0.00 0.00 0.00 57.50 57.53 3i8f n TRP 199 Cb 0.71 -0.72 -0.08 0.00 -0.00 0.00 0.00 31.31 31.22 3i8f n TRP 199 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3i8f h GLU 200 N 0.00 0.00 -0.59 5.87 4.81 -1.28 -2.76 114.58 120.63 3i8f h GLU 200 Ca 0.00 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 3i8f h GLU 200 Cb 0.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3i8f h GLU 200 CO 0.00 0.58 0.64 -0.24 -0.73 0.00 0.00 179.01 179.26 3i8f h VAL 201 N -1.00 0.28 0.45 0.32 3.04 -1.60 0.58 116.25 118.32 3i8f h VAL 201 Ca -0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.65 3i8f h VAL 201 Cb 0.61 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 3i8f h VAL 201 CO -0.01 0.00 -0.22 0.15 -1.01 0.00 0.00 177.57 176.49 3i8f h PHE 202 N 0.00 -0.56 -0.16 3.17 3.57 -1.55 -2.78 116.94 118.63 3i8f h PHE 202 Ca 0.28 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3i8f h PHE 202 Cb 1.57 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 3i8f h PHE 202 CO 0.00 -0.34 0.60 1.96 -2.23 0.00 0.00 178.31 178.31 3i8f h GLN 203 N -1.15 0.00 0.00 1.11 1.08 -0.60 0.12 115.11 115.66 3i8f h GLN 203 Ca -0.06 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.95 3i8f h GLN 203 Cb 0.47 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 3i8f h GLN 203 CO 0.10 0.00 -1.62 0.09 -0.95 0.00 0.00 178.83 176.45 3i8f n ASN 204 N -2.95 0.68 0.06 1.46 3.02 -0.82 -3.52 115.26 113.18 3i8f n ASN 204 Ca 0.02 0.30 0.11 0.00 -0.03 0.00 0.00 54.58 54.99 3i8f n ASN 204 Cb 0.68 0.40 0.45 0.00 -0.61 0.00 0.00 39.78 40.71 3i8f n ASN 204 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i8f n ARG 205 N -2.83 0.11 -3.64 3.52 0.63 0.38 -4.68 116.66 110.15 3i8f n ARG 205 Ca -0.13 0.23 -0.08 0.00 -0.92 0.00 0.00 57.85 56.95 3i8f n ARG 205 Cb 0.88 -1.67 -0.07 0.00 0.45 0.00 0.00 32.46 32.05 3i8f n ARG 205 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3i8f s ILE 206 N -3.11 0.00 -0.00 5.15 -4.36 -1.08 -4.91 121.20 112.89 3i8f s ILE 206 Ca 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 60.65 60.48 3i8f s ILE 206 Cb 0.12 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.83 3i8f s ILE 206 CO 0.44 0.00 -0.00 1.23 0.24 0.00 0.00 174.94 176.85 3i8f h GLY 207 N 5.84 0.00 0.00 6.27 0.00 -1.83 -3.37 103.07 109.98 3i8f h GLY 207 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3i8f h GLY 207 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28