#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8h s GLU 9 N 0.00 4.16 -1.11 1.09 2.12 -1.26 -2.85 118.70 120.85 3a8h s GLU 9 Ca 0.00 2.50 0.00 0.00 0.36 0.00 0.00 54.97 57.83 3a8h s GLU 9 Cb 0.00 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3a8h s GLU 9 CO 0.00 -0.56 0.00 0.09 -0.54 0.00 0.00 175.26 174.25 3a8h n ASN 10 N 1.99 -5.53 -4.81 -1.70 3.02 -1.26 -4.97 115.26 101.99 3a8h n ASN 10 Ca 0.07 0.26 -0.33 0.00 -0.03 0.00 0.00 54.58 54.55 3a8h n ASN 10 Cb 0.38 -3.95 -0.01 0.00 -0.61 0.00 0.00 39.78 35.59 3a8h n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8h s ALA 11 N -1.96 2.85 0.44 5.41 0.00 -1.13 -5.02 121.76 122.34 3a8h s ALA 11 Ca 0.00 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 3a8h s ALA 11 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 3a8h s ALA 11 CO 0.00 -0.52 1.31 0.00 0.00 0.00 0.00 175.76 176.54 3a8h s ALA 12 N -2.35 3.16 0.31 0.00 0.00 -1.26 -4.99 121.76 116.63 3a8h s ALA 12 Ca 0.64 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 3a8h s ALA 12 Cb -0.15 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 3a8h s ALA 12 CO 0.30 -0.91 1.26 -1.25 0.00 0.00 0.00 175.76 175.16 3a8h s PRO 13 N -2.41 4.42 0.25 0.00 0.04 -1.26 -4.97 135.00 131.07 3a8h s PRO 13 Ca 0.60 2.11 -0.31 0.00 0.04 0.00 0.00 61.00 63.44 3a8h s PRO 13 Cb -0.38 -3.11 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 3a8h s PRO 13 CO 0.48 -0.10 1.54 0.00 0.04 0.00 0.00 177.00 178.95 3a8h n ALA 14 N 1.08 1.91 -3.06 8.56 0.00 -1.26 -5.01 120.51 122.74 3a8h n ALA 14 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 3a8h n ALA 14 Cb 0.43 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.37 3a8h n ALA 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3a8h s GLN 15 N -0.08 0.23 0.81 0.00 -0.21 -1.26 -5.15 119.66 113.99 3a8h s GLN 15 Ca 0.69 0.19 -0.13 0.00 0.02 0.00 0.00 55.36 56.12 3a8h s GLN 15 Cb -0.58 0.11 0.08 0.00 1.00 0.00 0.00 33.01 33.62 3a8h s GLN 15 CO 0.45 -0.03 1.18 0.00 -2.12 0.00 0.00 175.29 174.78 3a8h n ALA 16 N 2.86 -0.08 -1.61 6.09 0.00 -1.26 -4.90 120.51 121.60 3a8h n ALA 16 Ca -0.13 -0.33 -0.45 0.00 0.00 0.00 0.00 53.44 52.52 3a8h n ALA 16 Cb 0.59 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 3a8h n ALA 16 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3a8h n PRO 17 N -3.22 1.49 -0.27 0.00 -0.02 -1.26 -4.74 135.00 126.98 3a8h n PRO 17 Ca 0.13 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 3a8h n PRO 17 Cb 0.50 -1.99 0.32 0.00 -0.02 0.00 0.00 33.50 32.31 3a8h n PRO 17 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3a8h h VAL 18 N 2.37 0.94 -0.69 -1.45 3.04 -1.99 -0.15 116.25 118.32 3a8h h VAL 18 Ca -0.42 -0.29 0.07 0.00 -1.01 0.00 0.00 66.70 65.05 3a8h h VAL 18 Cb 1.32 0.04 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 3a8h h VAL 18 CO 0.65 0.15 0.37 -1.28 -1.01 0.00 0.00 177.57 176.46 3a8h h SER 19 N 0.83 0.54 -0.46 3.17 0.87 -1.99 0.20 113.55 116.72 3a8h h SER 19 Ca 0.41 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.93 3a8h h SER 19 Cb 0.46 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3a8h h SER 19 CO -0.18 0.34 -0.01 0.44 -0.53 0.00 0.00 176.83 176.90 3a8h h ASP 20 N 0.67 0.84 -0.24 6.23 3.45 -1.41 -1.08 116.42 124.89 3a8h h ASP 20 Ca 0.32 -0.22 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 3a8h h ASP 20 Cb 0.24 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3a8h h ASP 20 CO -0.21 0.91 -0.21 0.03 -1.57 0.00 0.00 179.24 178.19 3a8h h ARG 21 N 0.81 0.56 -0.41 3.56 3.08 -0.70 -1.15 114.38 120.14 3a8h h ARG 21 Ca 0.15 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3a8h h ARG 21 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3a8h h ARG 21 CO 0.02 0.87 0.24 0.00 -1.07 0.00 0.00 179.97 180.03 3a8h h ALA 22 N 0.68 0.52 0.00 0.04 0.00 -0.52 -1.17 119.26 118.82 3a8h h ALA 22 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3a8h h ALA 22 Cb 0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a8h h ALA 22 CO 0.05 0.03 -0.48 -1.49 0.00 0.00 0.00 179.25 177.36 3a8h h TRP 23 N 0.53 0.00 -0.54 0.00 4.06 -1.23 -2.12 115.95 116.65 3a8h h TRP 23 Ca 0.15 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 3a8h h TRP 23 Cb 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3a8h h TRP 23 CO -0.03 0.48 0.19 0.00 -3.56 0.00 0.00 178.44 175.52 3a8h h ALA 24 N 1.52 0.71 -0.51 1.49 0.00 -0.90 -2.85 119.26 118.71 3a8h h ALA 24 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3a8h h ALA 24 Cb 0.92 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3a8h h ALA 24 CO 0.06 0.35 0.30 1.25 0.00 0.00 0.00 179.25 181.21 3a8h h LEU 25 N 0.75 0.63 -0.80 0.00 5.85 -0.87 0.20 115.31 121.07 3a8h h LEU 25 Ca 0.18 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a8h h LEU 25 Cb 0.25 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3a8h h LEU 25 CO -0.01 0.52 0.00 0.33 -0.34 0.00 0.00 178.44 178.94 3a8h n PHE 26 N -4.66 0.00 0.00 1.25 7.35 -0.83 -2.35 117.46 118.22 3a8h n PHE 26 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3a8h n PHE 26 Cb 0.07 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.90 3a8h n PHE 26 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a8h n ALA 28 N 0.29 0.00 -0.01 3.13 0.00 0.06 -0.47 120.51 123.50 3a8h n ALA 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3a8h n ALA 28 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3a8h n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a8h h LEU 29 N 0.00 0.44 -0.91 0.00 3.38 -1.71 -3.26 115.31 113.26 3a8h h LEU 29 Ca 0.00 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 3a8h h LEU 29 Cb 0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3a8h h LEU 29 CO 0.00 1.11 0.54 -0.78 0.09 0.00 0.00 178.44 179.40 3a8h h ASP 30 N -0.18 1.09 0.54 -0.43 -0.00 -1.03 -2.19 116.42 114.21 3a8h h ASP 30 Ca -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 3a8h h ASP 30 Cb 1.16 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.21 3a8h h ASP 30 CO 0.09 0.84 0.00 0.61 -0.00 0.00 0.00 179.24 180.79 3a8h n GLY 31 N -1.22 -1.09 0.96 -0.78 0.00 -1.24 -1.55 105.19 100.26 3a8h n GLY 31 Ca 0.10 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3a8h n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a8h n LYS 32 N -1.94 2.35 -1.05 1.61 5.02 -0.90 -4.97 118.16 118.29 3a8h n LYS 32 Ca 0.02 -2.13 -0.02 0.00 -2.02 0.00 0.00 58.31 54.16 3a8h n LYS 32 Cb 0.18 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 3a8h n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a8h n GLY 33 N 1.15 0.53 0.13 0.72 0.00 -0.60 -4.92 105.19 102.21 3a8h n GLY 33 Ca 0.16 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.60 3a8h n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a8h n LEU 34 N -0.19 0.73 -4.09 0.99 4.77 -0.88 -4.72 117.00 113.61 3a8h n LEU 34 Ca -0.02 -0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 3a8h n LEU 34 Cb 0.07 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 40.82 3a8h n LEU 34 CO 0.03 0.15 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.08 3a8h s VAL 35 N -2.69 2.21 0.65 4.08 1.01 -1.26 -4.95 120.40 119.46 3a8h s VAL 35 Ca 0.20 -1.51 -0.17 0.00 0.00 0.00 0.00 61.98 60.50 3a8h s VAL 35 Cb 0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3a8h s VAL 35 CO 0.57 0.05 0.77 -2.65 0.00 0.00 0.00 175.10 173.85 3a8h n PRO 36 N 4.47 0.59 -1.68 2.72 -0.02 -1.26 -4.88 135.00 134.94 3a8h n PRO 36 Ca -0.15 0.24 -0.44 0.00 -2.02 0.00 0.00 63.50 61.13 3a8h n PRO 36 Cb 0.43 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3a8h n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a8h n ASP 37 N -0.58 2.99 0.00 2.55 10.43 -1.26 -1.83 116.55 128.84 3a8h n ASP 37 Ca 0.12 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.62 3a8h n ASP 37 Cb 0.48 -1.45 0.00 0.00 1.84 0.00 0.00 41.12 41.99 3a8h n ASP 37 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3a8h n GLY 38 N 2.39 0.30 0.29 0.44 0.00 -1.26 -4.93 105.19 102.41 3a8h n GLY 38 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3a8h n GLY 38 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a8h h TYR 39 N 0.00 -0.63 0.00 1.61 3.20 -1.70 0.31 116.97 119.76 3a8h h TYR 39 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3a8h h TYR 39 Cb 0.41 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3a8h h TYR 39 CO 0.26 -0.30 -0.45 -0.39 -1.64 0.00 0.00 178.16 175.64 3a8h h VAL 40 N -0.95 1.23 -0.48 1.81 -1.51 -1.92 -1.74 116.25 112.69 3a8h h VAL 40 Ca -0.07 -1.59 -0.13 0.00 -1.23 0.00 0.00 66.70 63.68 3a8h h VAL 40 Cb 0.61 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 3a8h h VAL 40 CO 0.11 0.44 -0.19 -0.33 -1.23 0.00 0.00 177.57 176.37 3a8h h GLU 41 N 0.00 0.97 -0.02 5.19 3.07 -1.96 -0.41 114.58 121.43 3a8h h GLU 41 Ca -0.00 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3a8h h GLU 41 Cb 0.84 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3a8h h GLU 41 CO 0.06 1.07 0.01 0.78 -1.40 0.00 0.00 179.01 179.52 3a8h h GLY 42 N 0.90 0.02 1.13 -3.84 0.00 -0.52 -2.76 103.07 98.02 3a8h h GLY 42 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3a8h h GLY 42 CO 0.06 0.01 0.47 1.49 0.00 0.00 0.00 176.54 178.57 3a8h h TRP 43 N -0.03 1.11 0.00 5.60 4.06 -1.21 -2.14 115.95 123.34 3a8h h TRP 43 Ca 0.01 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3a8h h TRP 43 Cb 0.05 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 27.85 3a8h h TRP 43 CO -0.06 0.76 0.00 1.17 -3.56 0.00 0.00 178.44 176.75 3a8h n LYS 44 N -4.35 0.06 0.00 0.49 4.81 -0.17 -0.78 118.16 118.21 3a8h n LYS 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3a8h n LYS 44 Cb 0.08 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.88 3a8h n LYS 44 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3a8h n THR 46 N 0.72 0.00 -0.20 3.15 -1.04 -0.81 -1.09 114.28 115.01 3a8h n THR 46 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3a8h n THR 46 Cb 0.02 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.68 3a8h n THR 46 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3a8h h PHE 47 N 0.00 1.01 0.02 -1.42 0.04 -1.24 -0.88 116.94 114.48 3a8h h PHE 47 Ca 0.00 -0.08 -0.28 0.00 2.80 0.00 0.00 57.97 60.41 3a8h h PHE 47 Cb 0.00 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.81 3a8h h PHE 47 CO 0.00 0.79 -1.57 0.93 -0.60 0.00 0.00 178.31 177.86 3a8h h GLU 48 N 0.97 0.05 0.00 1.51 5.08 -1.36 -3.40 114.58 117.43 3a8h h GLU 48 Ca 0.22 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3a8h h GLU 48 Cb 0.23 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3a8h h GLU 48 CO -0.01 0.72 -1.43 0.39 -1.00 0.00 0.00 179.01 177.67 3a8h n GLU 49 N -3.19 1.95 -0.12 2.33 1.02 -1.21 -4.86 120.64 116.55 3a8h n GLU 49 Ca -0.15 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.78 3a8h n GLU 49 Cb 1.03 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 31.21 3a8h n GLU 49 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3a8h n ASP 50 N -2.42 1.94 -4.65 1.62 8.00 -0.61 -4.84 116.55 115.59 3a8h n ASP 50 Ca -0.11 0.35 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 3a8h n ASP 50 Cb 0.68 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 3a8h n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a8h s PHE 51 N -2.60 1.74 -0.27 1.24 0.08 -0.44 -4.94 117.98 112.79 3a8h s PHE 51 Ca -0.35 0.09 -0.23 0.00 0.12 0.00 0.00 56.93 56.56 3a8h s PHE 51 Cb 0.11 -4.02 0.07 0.00 -0.57 0.00 0.00 43.02 38.61 3a8h s PHE 51 CO 0.47 -4.20 0.71 0.45 -0.10 0.00 0.00 175.22 172.55 3a8h s SER 52 N 4.15 -0.78 -0.63 1.36 0.15 -1.12 -4.54 113.70 112.29 3a8h s SER 52 Ca 0.79 1.46 -0.12 0.00 0.70 0.00 0.00 55.95 58.78 3a8h s SER 52 Cb -0.34 1.45 -0.11 0.00 -1.71 0.00 0.00 66.02 65.31 3a8h s SER 52 CO 0.33 -0.25 1.82 -0.81 1.20 0.00 0.00 173.24 175.53 3a8h n PRO 53 N 2.98 1.36 0.00 5.44 -0.04 -1.22 -3.89 135.00 139.64 3a8h n PRO 53 Ca -0.15 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 3a8h n PRO 53 Cb 0.56 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3a8h n PRO 53 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a8h n ARG 55 N 5.55 0.00 -0.27 0.54 1.74 -1.26 -1.26 116.66 121.69 3a8h n ARG 55 Ca 0.39 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.52 3a8h n ARG 55 Cb 0.22 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.84 3a8h n ARG 55 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3a8h h GLY 56 N 0.00 1.21 0.92 -0.13 0.00 -1.16 -1.81 103.07 102.11 3a8h h GLY 56 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3a8h h GLY 56 CO 0.00 -0.03 0.66 0.00 0.00 0.00 0.00 176.54 177.18 3a8h h ALA 57 N 1.52 1.32 -0.71 3.60 0.00 -1.43 -0.60 119.26 122.96 3a8h h ALA 57 Ca 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3a8h h ALA 57 Cb 0.56 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a8h h ALA 57 CO -0.35 0.60 0.42 1.49 0.00 0.00 0.00 179.25 181.42 3a8h h GLU 58 N 1.31 0.96 -0.67 0.00 4.81 -1.62 -0.31 114.58 119.07 3a8h h GLU 58 Ca 0.39 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 3a8h h GLU 58 Cb -0.06 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 3a8h h GLU 58 CO -0.11 0.69 0.19 -0.07 -0.73 0.00 0.00 179.01 178.98 3a8h h LEU 59 N 0.97 0.99 -0.13 1.64 3.38 -0.68 -1.31 115.31 120.16 3a8h h LEU 59 Ca 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3a8h h LEU 59 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3a8h h LEU 59 CO -0.05 0.95 -0.01 0.58 0.09 0.00 0.00 178.44 180.00 3a8h h VAL 60 N 0.98 1.26 -0.91 1.22 2.07 -0.82 -0.95 116.25 119.11 3a8h h VAL 60 Ca 0.21 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3a8h h VAL 60 Cb 0.33 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3a8h h VAL 60 CO -0.00 0.25 0.60 0.00 0.02 0.00 0.00 177.57 178.44 3a8h h ALA 61 N 0.74 1.16 -0.12 1.67 0.00 -0.97 0.19 119.26 121.94 3a8h h ALA 61 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a8h h ALA 61 Cb 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a8h h ALA 61 CO 0.01 0.55 0.07 -0.09 0.00 0.00 0.00 179.25 179.78 3a8h h ARG 62 N 1.23 0.16 -0.93 0.00 9.65 -1.16 -2.40 114.38 120.94 3a8h h ARG 62 Ca 0.34 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.24 3a8h h ARG 62 Cb -0.13 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.36 3a8h h ARG 62 CO -0.08 0.17 0.61 0.00 2.80 0.00 0.00 179.97 183.47 3a8h h ALA 63 N 0.98 1.41 0.00 2.80 0.00 -0.51 0.59 119.26 124.53 3a8h h ALA 63 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3a8h h ALA 63 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3a8h h ALA 63 CO -0.01 0.50 -0.31 -1.49 0.00 0.00 0.00 179.25 177.94 3a8h h TRP 64 N 1.16 0.00 -0.01 0.00 6.55 -0.79 -3.20 115.95 119.66 3a8h h TRP 64 Ca 0.37 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.21 3a8h h TRP 64 Cb 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 3a8h h TRP 64 CO -0.00 0.31 -0.41 0.25 -1.05 0.00 0.00 178.44 177.54 3a8h n THR 65 N -4.06 0.00 -3.61 1.49 -2.24 -0.80 -4.85 114.28 100.21 3a8h n THR 65 Ca -0.02 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 3a8h n THR 65 Cb 0.36 1.11 -0.14 0.00 -2.10 0.00 0.00 70.33 69.57 3a8h n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a8h s ASP 66 N -1.91 3.55 0.00 3.42 3.68 0.13 -5.08 116.67 120.47 3a8h s ASP 66 Ca 0.10 -1.93 0.00 0.00 2.13 0.00 0.00 52.55 52.84 3a8h s ASP 66 Cb 0.11 -0.67 0.00 0.00 -1.45 0.00 0.00 42.92 40.91 3a8h s ASP 66 CO 0.42 -0.36 0.00 -2.65 0.13 0.00 0.00 175.17 172.71 3a8h n PRO 67 N 4.43 0.00 0.00 4.34 -0.02 -1.26 -1.23 135.00 141.26 3a8h n PRO 67 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3a8h n PRO 67 Cb 0.39 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3a8h n PRO 67 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a8h n PHE 69 N 1.51 0.00 0.00 6.00 7.35 -1.26 -4.69 117.46 126.37 3a8h n PHE 69 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3a8h n PHE 69 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3a8h n PHE 69 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3a8h n ARG 70 N 0.00 0.00 0.00 -4.13 0.63 -0.37 -0.03 116.66 112.76 3a8h n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3a8h n ARG 70 Cb 0.00 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 31.87 3a8h n ARG 70 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3a8h n LEU 72 N 0.58 0.00 -0.15 6.15 7.94 -1.26 -1.48 117.00 128.78 3a8h n LEU 72 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3a8h n LEU 72 Cb 0.00 0.00 0.35 0.00 0.53 0.00 0.00 43.42 44.30 3a8h n LEU 72 CO 0.00 0.00 1.21 0.25 -1.11 0.00 0.00 177.39 177.74 3a8h h LEU 73 N 0.00 0.65 0.00 -1.96 5.85 -0.70 0.17 115.31 119.33 3a8h h LEU 73 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3a8h h LEU 73 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3a8h h LEU 73 CO 0.00 0.44 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.90 3a8h h LEU 74 N 0.76 0.00 0.00 2.25 3.38 -1.50 -3.13 115.31 117.06 3a8h h LEU 74 Ca 0.27 -0.11 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 3a8h h LEU 74 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3a8h h LEU 74 CO -0.08 0.06 -1.97 0.35 0.09 0.00 0.00 178.44 176.89 3a8h n THR 75 N -2.38 0.97 -3.17 0.22 -2.24 -0.95 -4.79 114.28 101.93 3a8h n THR 75 Ca 0.03 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.06 3a8h n THR 75 Cb 0.48 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.88 3a8h n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a8h n ASP 76 N -2.65 -0.77 -0.35 3.42 -0.08 0.56 -5.01 116.55 111.67 3a8h n ASP 76 Ca -0.25 -2.66 0.08 0.00 -1.51 0.00 0.00 54.79 50.45 3a8h n ASP 76 Cb 0.92 -0.10 0.26 0.00 2.34 0.00 0.00 41.12 44.54 3a8h n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3a8h h GLY 77 N 4.70 1.60 0.98 0.27 0.00 -1.59 -1.66 103.07 107.37 3a8h h GLY 77 Ca 0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3a8h h GLY 77 CO 0.37 0.14 0.19 -0.84 0.00 0.00 0.00 176.54 176.40 3a8h h THR 78 N 0.94 1.11 -0.65 4.70 2.02 -1.84 -0.79 112.91 118.41 3a8h h THR 78 Ca 0.50 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 3a8h h THR 78 Cb 0.54 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3a8h h THR 78 CO -0.26 0.11 0.30 0.00 0.37 0.00 0.00 175.52 176.03 3a8h h ALA 79 N 1.07 0.84 -0.20 6.16 0.00 -1.68 -0.31 119.26 125.14 3a8h h ALA 79 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a8h h ALA 79 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3a8h h ALA 79 CO -0.02 0.41 0.12 0.00 0.00 0.00 0.00 179.25 179.76 3a8h h ALA 80 N 1.13 0.25 -0.59 0.00 0.00 -1.11 -2.31 119.26 116.63 3a8h h ALA 80 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3a8h h ALA 80 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3a8h h ALA 80 CO -0.03 -0.24 0.06 0.28 0.00 0.00 0.00 179.25 179.32 3a8h h VAL 81 N 0.24 1.26 -0.05 0.00 2.07 -0.95 -2.71 116.25 116.11 3a8h h VAL 81 Ca 0.07 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3a8h h VAL 81 Cb 0.02 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3a8h h VAL 81 CO -0.01 0.38 -0.02 0.00 0.02 0.00 0.00 177.57 177.93 3a8h h ALA 82 N 1.13 1.88 -0.17 1.67 0.00 -0.80 -1.66 119.26 121.31 3a8h h ALA 82 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3a8h h ALA 82 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3a8h h ALA 82 CO 0.02 0.10 -0.00 1.96 0.00 0.00 0.00 179.25 181.32 3a8h h GLN 83 N 0.07 0.25 -0.00 0.00 4.20 -1.08 -1.33 115.11 117.21 3a8h h GLN 83 Ca 0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3a8h h GLN 83 Cb 0.09 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3a8h h GLN 83 CO 0.00 0.27 -0.35 0.66 -0.67 0.00 0.00 178.83 178.74 3a8h n TYR 84 N -4.39 0.00 -1.73 2.96 4.02 -0.67 -4.95 117.16 112.40 3a8h n TYR 84 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.85 3a8h n TYR 84 Cb 0.17 -0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 39.25 3a8h n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a8h n GLY 85 N 1.44 0.37 1.35 2.72 0.00 -0.50 -4.97 105.19 105.60 3a8h n GLY 85 Ca 0.08 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.39 3a8h n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a8h n TYR 86 N -3.62 1.19 -2.10 1.61 4.01 -0.94 -4.94 117.16 112.36 3a8h n TYR 86 Ca -0.04 -0.59 -0.34 0.00 -0.16 0.00 0.00 57.90 56.76 3a8h n TYR 86 Cb 0.39 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 3a8h n TYR 86 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3a8h s LEU 87 N -1.62 3.64 0.00 7.72 1.43 -1.26 -4.59 118.68 124.00 3a8h s LEU 87 Ca 0.46 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 55.68 3a8h s LEU 87 Cb 0.28 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.94 3a8h s LEU 87 CO 0.24 -1.36 0.08 0.61 0.23 0.00 0.00 176.35 176.15 3a8h n GLY 88 N -0.02 0.58 3.67 -3.19 0.00 -1.04 -5.01 105.19 100.19 3a8h n GLY 88 Ca 0.11 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 3a8h n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a8h n PRO 89 N -0.06 2.03 -2.46 1.61 -0.02 -1.26 -0.77 135.00 134.07 3a8h n PRO 89 Ca 0.00 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 3a8h n PRO 89 Cb 0.04 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3a8h n PRO 89 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a8h n GLN 90 N 2.36 -2.03 -2.49 -0.52 1.13 -1.26 -4.29 117.38 110.29 3a8h n GLN 90 Ca 0.13 0.94 -0.03 0.00 -1.94 0.00 0.00 57.00 56.10 3a8h n GLN 90 Cb 0.30 -5.56 0.08 0.00 0.11 0.00 0.00 30.24 25.17 3a8h n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a8h n GLY 91 N -1.09 0.91 0.08 1.08 0.00 0.05 -2.56 105.19 103.66 3a8h n GLY 91 Ca -0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 3a8h n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a8h n GLU 92 N -0.86 0.68 -3.93 1.61 -0.58 -1.18 -2.48 120.64 113.90 3a8h n GLU 92 Ca -0.12 -0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.28 3a8h n GLU 92 Cb 0.77 -1.53 -0.15 0.00 -0.57 0.00 0.00 31.44 29.96 3a8h n GLU 92 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3a8h s TYR 93 N -2.71 2.66 -0.13 -0.32 6.14 -1.26 -4.94 117.35 116.79 3a8h s TYR 93 Ca -0.09 -2.09 -0.04 0.00 0.64 0.00 0.00 57.07 55.49 3a8h s TYR 93 Cb 0.08 -1.95 -0.03 0.00 0.42 0.00 0.00 41.96 40.48 3a8h s TYR 93 CO 0.85 -0.84 0.00 0.42 0.64 0.00 0.00 175.55 176.62 3a8h s ILE 94 N 1.30 4.29 -0.11 3.14 -1.09 -1.26 -1.10 121.20 126.36 3a8h s ILE 94 Ca 0.01 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 3a8h s ILE 94 Cb -0.19 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 3a8h s ILE 94 CO -0.10 0.54 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.33 3a8h s VAL 95 N -0.24 1.36 -0.07 2.92 1.01 -0.61 -2.68 120.40 122.09 3a8h s VAL 95 Ca 0.06 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 3a8h s VAL 95 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3a8h s VAL 95 CO 0.02 0.42 0.36 0.00 0.00 0.00 0.00 175.10 175.90 3a8h s ALA 96 N 1.17 3.65 -0.12 5.51 0.00 -1.26 -2.23 121.76 128.48 3a8h s ALA 96 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3a8h s ALA 96 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 3a8h s ALA 96 CO -0.04 0.31 -0.16 0.14 0.00 0.00 0.00 175.76 176.01 3a8h s VAL 97 N -0.38 2.77 -0.22 0.00 -7.23 -0.26 -4.78 120.40 110.31 3a8h s VAL 97 Ca 0.21 -0.76 -0.15 0.00 -1.81 0.00 0.00 61.98 59.48 3a8h s VAL 97 Cb -0.15 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3a8h s VAL 97 CO 0.09 0.53 0.35 -1.83 -0.31 0.00 0.00 175.10 173.94 3a8h s GLU 98 N 0.38 4.12 0.44 4.82 -1.05 -1.26 -0.58 118.70 125.57 3a8h s GLU 98 Ca -0.13 0.09 -0.23 0.00 -0.15 0.00 0.00 54.97 54.55 3a8h s GLU 98 Cb -0.16 -3.56 -0.08 0.00 -0.44 0.00 0.00 34.13 29.88 3a8h s GLU 98 CO 0.06 -0.07 1.08 -0.51 0.95 0.00 0.00 175.26 176.77 3a8h s ASP 99 N 1.17 6.46 0.26 0.83 1.01 -0.47 -4.87 116.67 121.06 3a8h s ASP 99 Ca 0.16 2.10 0.01 0.00 0.71 0.00 0.00 52.55 55.53 3a8h s ASP 99 Cb -0.15 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 3a8h s ASP 99 CO 0.08 -0.71 0.13 0.42 0.21 0.00 0.00 175.17 175.30 3a8h s THR 100 N -1.70 0.34 -0.54 -1.27 -4.23 -0.43 -4.53 115.64 103.28 3a8h s THR 100 Ca 0.62 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.26 3a8h s THR 100 Cb -0.23 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.17 3a8h s THR 100 CO 0.28 0.00 1.38 -2.65 -0.54 0.00 0.00 174.62 173.09 3a8h n PRO 101 N -0.45 0.08 -0.03 3.99 -0.02 -1.26 -1.90 135.00 135.41 3a8h n PRO 101 Ca 0.01 0.57 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 3a8h n PRO 101 Cb 0.66 -1.76 0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3a8h n PRO 101 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a8h n THR 102 N -1.93 0.68 -3.73 3.45 -2.24 -1.26 -4.79 114.28 104.45 3a8h n THR 102 Ca -0.01 -0.84 -0.13 0.00 -2.27 0.00 0.00 64.05 60.80 3a8h n THR 102 Cb 0.02 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.79 3a8h n THR 102 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3a8h s LEU 103 N -0.75 0.50 -0.15 3.22 2.96 -0.80 -0.78 118.68 122.88 3a8h s LEU 103 Ca 0.05 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3a8h s LEU 103 Cb 0.03 0.49 0.01 0.00 0.50 0.00 0.00 46.19 47.21 3a8h s LEU 103 CO 0.03 -0.17 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.95 3a8h s LYS 104 N 1.36 3.06 0.00 1.98 2.47 0.75 -1.31 119.74 128.05 3a8h s LYS 104 Ca -0.08 -0.83 -0.06 0.00 -1.56 0.00 0.00 55.97 53.45 3a8h s LYS 104 Cb -0.11 -2.50 -0.05 0.00 -1.46 0.00 0.00 37.83 33.71 3a8h s LYS 104 CO -0.07 -0.03 0.25 -0.80 0.16 0.00 0.00 175.35 174.86 3a8h s ASN 105 N 0.88 6.47 -0.01 1.43 -0.87 -1.26 -0.73 114.94 120.86 3a8h s ASN 105 Ca -0.05 0.53 -0.02 0.00 -1.57 0.00 0.00 52.86 51.75 3a8h s ASN 105 Cb -0.15 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 3a8h s ASN 105 CO -0.03 0.26 0.05 -0.69 -2.57 0.00 0.00 177.10 174.11 3a8h s VAL 106 N -1.30 0.02 -0.03 1.60 1.01 -0.15 -4.47 120.40 117.08 3a8h s VAL 106 Ca 0.27 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3a8h s VAL 106 Cb -0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3a8h s VAL 106 CO 0.16 -0.09 -0.12 -0.63 0.00 0.00 0.00 175.10 174.42 3a8h s ILE 107 N -0.25 3.25 0.15 2.22 1.01 -0.18 -0.08 121.20 127.31 3a8h s ILE 107 Ca -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3a8h s ILE 107 Cb -0.02 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3a8h s ILE 107 CO 0.00 0.52 0.21 0.54 0.00 0.00 0.00 174.94 176.21 3a8h s VAL 108 N -0.83 0.08 -0.44 2.92 0.11 -0.33 -4.91 120.40 117.01 3a8h s VAL 108 Ca 0.13 -1.54 0.03 0.00 -2.93 0.00 0.00 61.98 57.67 3a8h s VAL 108 Cb -0.11 -1.88 0.12 0.00 -1.53 0.00 0.00 36.38 32.98 3a8h s VAL 108 CO 0.03 -0.37 0.17 0.00 -3.33 0.00 0.00 175.10 171.61 3a8h h SER 110 N 7.01 0.00 0.74 0.00 4.64 -1.86 -3.33 113.55 120.75 3a8h h SER 110 Ca -0.06 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.05 3a8h h SER 110 Cb 0.95 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.00 3a8h h SER 110 CO 0.59 0.12 -1.38 -0.07 -0.87 0.00 0.00 176.83 175.22 3a8h h LEU 111 N 0.00 0.00 -9.21 5.97 3.38 -1.91 -3.46 115.31 110.09 3a8h h LEU 111 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3a8h h LEU 111 Cb 0.27 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.87 3a8h h LEU 111 CO 0.02 0.77 -0.76 0.00 0.09 0.00 0.00 178.44 178.55 3a8h s ALA 113 N -2.79 2.75 0.00 1.53 0.00 -1.25 -5.22 121.76 116.78 3a8h s ALA 113 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3a8h s ALA 113 Cb 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3a8h s ALA 113 CO 0.81 0.35 0.00 2.41 0.00 0.00 0.00 175.76 179.33 3a8h n THR 115 N -0.29 0.00 -1.60 0.00 -1.04 -1.26 -4.80 114.28 105.28 3a8h n THR 115 Ca -0.08 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 3a8h n THR 115 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.03 3a8h n THR 115 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a8h n ALA 116 N -1.31 2.39 -0.23 2.41 0.00 -1.26 -4.75 120.51 117.77 3a8h n ALA 116 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.32 3a8h n ALA 116 Cb 0.00 -3.56 0.08 0.00 0.00 0.00 0.00 19.45 15.97 3a8h n ALA 116 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3a8h h TRP 117 N 8.97 -0.34 0.00 0.00 6.55 -1.71 -0.71 115.95 128.71 3a8h h TRP 117 Ca 0.30 0.06 -0.05 0.00 0.95 0.00 0.00 58.89 60.16 3a8h h TRP 117 Cb 0.81 0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 29.36 3a8h h TRP 117 CO 1.21 -0.28 -0.22 -1.35 -1.05 0.00 0.00 178.44 176.75 3a8h h PRO 118 N 0.01 0.00 0.00 0.49 0.11 -1.81 0.14 132.00 130.94 3a8h h PRO 118 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3a8h h PRO 118 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3a8h h PRO 118 CO -0.69 0.22 -1.38 0.44 -0.21 0.00 0.00 178.00 176.38 3a8h n ILE 119 N -4.09 0.00 0.24 4.15 -5.35 -0.99 -2.81 119.36 110.51 3a8h n ILE 119 Ca -0.02 -0.26 0.08 0.00 -0.27 0.00 0.00 62.75 62.27 3a8h n ILE 119 Cb 0.29 0.35 -0.11 0.00 -1.74 0.00 0.00 39.64 38.43 3a8h n ILE 119 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3a8h n LEU 120 N -1.81 0.25 0.00 7.28 4.32 -0.31 -0.96 117.00 125.77 3a8h n LEU 120 Ca -0.01 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 3a8h n LEU 120 Cb 0.28 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 3a8h n LEU 120 CO 0.24 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 3a8h n GLY 121 N 1.53 -1.84 3.68 -0.72 0.00 0.47 -3.36 105.19 104.95 3a8h n GLY 121 Ca -0.01 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 3a8h n GLY 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a8h n LEU 122 N -1.97 4.48 -4.75 0.99 4.77 -1.26 -4.45 117.00 114.81 3a8h n LEU 122 Ca 0.00 0.95 -0.37 0.00 -0.03 0.00 0.00 56.01 56.56 3a8h n LEU 122 Cb 0.00 -1.49 0.03 0.00 -2.33 0.00 0.00 43.42 39.64 3a8h n LEU 122 CO 0.00 -1.08 0.89 -2.16 -1.33 0.00 0.00 177.39 173.71 3a8h s PRO 123 N -2.68 3.08 0.63 3.23 0.04 -1.26 -5.00 135.00 133.05 3a8h s PRO 123 Ca 0.71 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.60 3a8h s PRO 123 Cb -0.44 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3a8h s PRO 123 CO 0.50 -1.16 1.04 -1.25 0.04 0.00 0.00 177.00 176.18 3a8h s PRO 124 N -3.11 3.31 0.27 0.56 0.04 -1.26 -4.93 135.00 129.88 3a8h s PRO 124 Ca 0.74 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 3a8h s PRO 124 Cb -0.34 -2.04 0.58 0.00 0.04 0.00 0.00 34.50 32.74 3a8h s PRO 124 CO 0.39 -0.80 1.68 1.15 0.04 0.00 0.00 177.00 179.45 3a8h h THR 125 N -0.11 0.44 -0.22 1.26 2.02 -1.98 -1.35 112.91 112.96 3a8h h THR 125 Ca -0.45 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 3a8h h THR 125 Cb 1.20 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3a8h h THR 125 CO 0.59 0.05 -0.04 4.11 0.37 0.00 0.00 175.52 180.60 3a8h h TRP 126 N 0.28 0.35 -0.01 3.16 5.08 -1.97 -1.71 115.95 121.12 3a8h h TRP 126 Ca 0.48 -0.03 -0.13 0.00 1.08 0.00 0.00 58.89 60.30 3a8h h TRP 126 Cb 0.89 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 26.93 3a8h h TRP 126 CO -0.24 0.39 -0.58 -0.92 -1.28 0.00 0.00 178.44 175.80 3a8h h TYR 127 N 0.33 0.06 -0.00 0.12 5.03 -1.63 -2.46 116.97 118.42 3a8h h TYR 127 Ca 0.07 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3a8h h TYR 127 Cb 0.29 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.56 3a8h h TYR 127 CO 0.01 0.62 -0.09 1.63 -1.32 0.00 0.00 178.16 179.00 3a8h n LYS 128 N -3.85 0.78 -2.17 1.82 5.02 -0.71 -4.55 118.16 114.50 3a8h n LYS 128 Ca -0.01 -0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 55.65 3a8h n LYS 128 Cb 0.59 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 3a8h n LYS 128 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3a8h s SER 129 N -2.40 5.69 0.42 4.39 1.04 -0.78 -4.88 113.70 117.18 3a8h s SER 129 Ca 0.31 2.30 0.09 0.00 0.48 0.00 0.00 55.95 59.14 3a8h s SER 129 Cb 0.20 -2.59 0.92 0.00 0.10 0.00 0.00 66.02 64.64 3a8h s SER 129 CO 0.46 -1.24 2.03 -0.26 0.98 0.00 0.00 173.24 175.20 3a8h h PHE 130 N 1.38 0.33 -0.12 5.02 0.04 -1.92 -1.72 116.94 119.96 3a8h h PHE 130 Ca -0.50 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.28 3a8h h PHE 130 Cb 1.27 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 3a8h h PHE 130 CO 0.50 0.28 0.04 0.93 -0.60 0.00 0.00 178.31 179.46 3a8h h GLU 131 N 0.34 0.10 -0.13 1.51 3.07 -1.91 0.10 114.58 117.67 3a8h h GLU 131 Ca 0.09 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3a8h h GLU 131 Cb 0.09 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3a8h h GLU 131 CO -0.01 0.07 -0.09 -0.92 -1.40 0.00 0.00 179.01 176.66 3a8h h TYR 132 N 0.11 0.34 -0.64 4.33 3.20 -1.72 -1.21 116.97 121.37 3a8h h TYR 132 Ca 0.05 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.84 3a8h h TYR 132 Cb 0.03 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3a8h h TYR 132 CO -0.10 0.65 0.42 0.00 -1.64 0.00 0.00 178.16 177.49 3a8h h ARG 133 N -0.08 0.83 0.20 1.82 3.08 -1.19 -1.49 114.38 117.55 3a8h h ARG 133 Ca 0.03 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.75 3a8h h ARG 133 Cb 0.58 -0.19 0.03 0.00 0.08 0.00 0.00 29.97 30.47 3a8h h ARG 133 CO 0.02 0.55 -1.26 0.00 -1.07 0.00 0.00 179.97 178.21 3a8h h ALA 134 N 1.60 -0.08 0.07 0.04 0.00 -0.75 -3.42 119.26 116.73 3a8h h ALA 134 Ca 0.23 -0.85 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 3a8h h ALA 134 Cb -0.09 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3a8h h ALA 134 CO -0.05 0.62 -2.08 0.54 0.00 0.00 0.00 179.25 178.28 3a8h n ARG 135 N -3.87 0.72 0.20 0.00 1.74 -0.46 -4.36 116.66 110.62 3a8h n ARG 135 Ca -0.17 0.23 0.05 0.00 -0.77 0.00 0.00 57.85 57.19 3a8h n ARG 135 Cb 0.98 -1.67 0.51 0.00 -1.02 0.00 0.00 32.46 31.27 3a8h n ARG 135 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3a8h h VAL 136 N 0.04 1.11 -0.19 1.55 3.04 -1.46 0.99 116.25 121.32 3a8h h VAL 136 Ca -0.44 -0.48 -0.09 0.00 -1.01 0.00 0.00 66.70 64.68 3a8h h VAL 136 Cb 2.02 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.47 3a8h h VAL 136 CO 0.05 0.14 -0.27 0.58 -1.01 0.00 0.00 177.57 177.06 3a8h h VAL 137 N 0.07 1.26 0.01 1.51 2.07 -1.80 -2.91 116.25 116.46 3a8h h VAL 137 Ca 0.02 -1.23 -0.37 0.00 0.82 0.00 0.00 66.70 65.93 3a8h h VAL 137 Cb 0.23 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3a8h h VAL 137 CO 0.01 0.38 -2.37 -1.14 0.02 0.00 0.00 177.57 174.48 3a8h n ARG 138 N -4.13 0.67 -3.13 1.57 0.63 -0.80 -4.70 116.66 106.77 3a8h n ARG 138 Ca -0.01 0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.82 3a8h n ARG 138 Cb 0.39 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 3a8h n ARG 138 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3a8h n GLU 139 N -3.06 1.51 0.08 -0.14 0.28 0.28 -4.95 120.64 114.63 3a8h n GLU 139 Ca -0.38 -3.74 0.04 0.00 -0.16 0.00 0.00 57.16 52.92 3a8h n GLU 139 Cb 1.06 -1.83 0.44 0.00 1.43 0.00 0.00 31.44 32.54 3a8h n GLU 139 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3a8h h PRO 140 N 3.02 0.37 -0.21 3.44 0.13 -1.67 -1.15 132.00 135.93 3a8h h PRO 140 Ca 0.11 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 3a8h h PRO 140 Cb 0.86 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3a8h h PRO 140 CO 0.58 0.33 0.06 -0.09 -0.23 0.00 0.00 178.00 178.64 3a8h h ARG 141 N 0.37 0.33 -0.51 0.86 2.43 -1.92 -0.87 114.38 115.07 3a8h h ARG 141 Ca 0.09 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3a8h h ARG 141 Cb 0.11 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3a8h h ARG 141 CO -0.01 0.44 0.18 -0.22 -1.51 0.00 0.00 179.97 178.85 3a8h h LYS 142 N 0.16 0.77 0.14 0.20 3.64 -1.91 -0.88 116.57 118.70 3a8h h LYS 142 Ca 0.07 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3a8h h LYS 142 Cb 0.25 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3a8h h LYS 142 CO -0.00 0.71 -0.10 0.28 -2.27 0.00 0.00 179.45 178.06 3a8h h VAL 143 N 0.68 0.77 -0.85 2.00 2.07 -1.08 -0.51 116.25 119.33 3a8h h VAL 143 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.71 3a8h h VAL 143 Cb 0.24 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3a8h h VAL 143 CO -0.01 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.07 3a8h h LEU 144 N -0.25 0.94 -0.26 2.57 4.07 -1.11 -1.38 115.31 119.91 3a8h h LEU 144 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3a8h h LEU 144 Cb 0.22 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3a8h h LEU 144 CO -0.01 0.67 0.17 -1.28 -1.08 0.00 0.00 178.44 176.91 3a8h h SER 145 N 1.11 0.30 -0.47 -0.43 0.87 -0.79 0.56 113.55 114.70 3a8h h SER 145 Ca 0.32 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.89 3a8h h SER 145 Cb -0.07 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 3a8h h SER 145 CO -0.09 0.22 0.31 -0.33 -0.53 0.00 0.00 176.83 176.42 3a8h h GLU 146 N 0.34 0.53 0.00 2.24 5.08 -0.76 -1.32 114.58 120.69 3a8h h GLU 146 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3a8h h GLU 146 Cb -0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3a8h h GLU 146 CO -0.02 0.35 0.00 -1.33 -1.00 0.00 0.00 179.01 177.01 3a8h n MET 147 N -4.47 0.18 0.00 2.33 2.81 -0.55 -4.90 117.12 112.51 3a8h n MET 147 Ca 0.05 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3a8h n MET 147 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3a8h n MET 147 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a8h n GLY 148 N 1.25 1.16 3.10 3.03 0.00 -0.50 -5.07 105.19 108.16 3a8h n GLY 148 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3a8h n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a8h s THR 149 N -2.00 2.49 -0.36 2.61 2.01 0.09 -4.99 115.64 115.49 3a8h s THR 149 Ca 0.00 -1.62 -0.21 0.00 0.31 0.00 0.00 61.69 60.17 3a8h s THR 149 Cb 0.00 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 70.02 3a8h s THR 149 CO 0.00 -0.12 0.65 -1.61 -0.69 0.00 0.00 174.62 172.85 3a8h s GLU 150 N 1.14 3.66 -0.22 4.92 0.41 -1.26 -2.52 118.70 124.82 3a8h s GLU 150 Ca -0.06 0.05 -0.18 0.00 -0.41 0.00 0.00 54.97 54.38 3a8h s GLU 150 Cb -0.20 -3.82 -0.03 0.00 -1.78 0.00 0.00 34.13 28.30 3a8h s GLU 150 CO -0.04 -0.77 0.49 0.42 -0.49 0.00 0.00 175.26 174.87 3a8h s ILE 151 N 2.77 5.11 0.35 -1.63 -1.09 -1.26 -5.03 121.20 120.41 3a8h s ILE 151 Ca 0.25 0.88 -0.27 0.00 -2.23 0.00 0.00 60.65 59.28 3a8h s ILE 151 Cb -0.14 -3.82 -0.12 0.00 -1.58 0.00 0.00 42.46 36.80 3a8h s ILE 151 CO 0.15 0.16 1.11 0.00 -1.23 0.00 0.00 174.94 175.13 3a8h n ALA 152 N 5.01 0.45 0.18 9.38 0.00 -1.26 -4.87 120.51 129.39 3a8h n ALA 152 Ca -0.05 0.33 0.17 0.00 0.00 0.00 0.00 53.44 53.89 3a8h n ALA 152 Cb 0.50 -2.12 0.80 0.00 0.00 0.00 0.00 19.45 18.63 3a8h n ALA 152 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3a8h h SER 153 N 2.06 0.00 -0.15 0.00 0.02 -2.03 -1.53 113.55 111.91 3a8h h SER 153 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3a8h h SER 153 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3a8h h SER 153 CO 0.60 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.76 3a8h n ASP 154 N -3.92 1.59 -4.19 3.07 10.43 -1.26 -4.81 116.55 117.46 3a8h n ASP 154 Ca 0.02 -2.12 -0.33 0.00 2.57 0.00 0.00 54.79 54.94 3a8h n ASP 154 Cb 0.35 -0.36 -0.16 0.00 1.84 0.00 0.00 41.12 42.79 3a8h n ASP 154 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3a8h s ILE 155 N -1.57 2.14 0.23 0.53 1.01 -0.58 -4.76 121.20 118.20 3a8h s ILE 155 Ca 0.12 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3a8h s ILE 155 Cb 0.08 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 3a8h s ILE 155 CO 0.05 0.55 1.27 -0.70 0.00 0.00 0.00 174.94 176.11 3a8h s GLU 156 N 0.77 4.43 -0.18 2.79 2.12 0.04 -4.85 118.70 123.81 3a8h s GLU 156 Ca -0.08 2.02 -0.08 0.00 0.36 0.00 0.00 54.97 57.20 3a8h s GLU 156 Cb -0.16 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3a8h s GLU 156 CO -0.01 -0.16 0.07 0.42 -0.54 0.00 0.00 175.26 175.04 3a8h s ILE 157 N -0.28 4.86 -0.18 -3.70 1.01 -1.26 -0.18 121.20 121.48 3a8h s ILE 157 Ca 0.53 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.19 3a8h s ILE 157 Cb -0.36 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 38.94 3a8h s ILE 157 CO 0.41 0.46 -0.19 -0.60 0.00 0.00 0.00 174.94 175.01 3a8h s ARG 158 N 0.37 2.93 -0.24 2.79 3.52 0.09 -4.96 118.95 123.46 3a8h s ARG 158 Ca 0.04 -0.83 -0.10 0.00 -0.13 0.00 0.00 55.73 54.70 3a8h s ARG 158 Cb -0.12 -2.56 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 3a8h s ARG 158 CO -0.00 -0.22 0.15 0.08 -0.81 0.00 0.00 175.30 174.49 3a8h s VAL 159 N 1.29 5.27 -0.35 7.11 1.01 -1.26 -0.98 120.40 132.49 3a8h s VAL 159 Ca 0.05 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 3a8h s VAL 159 Cb -0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3a8h s VAL 159 CO -0.13 0.35 0.35 -0.31 0.00 0.00 0.00 175.10 175.37 3a8h s TYR 160 N 1.03 3.21 -0.30 5.22 1.51 0.88 -4.96 117.35 123.94 3a8h s TYR 160 Ca 0.07 -0.07 -0.18 0.00 -1.01 0.00 0.00 57.07 55.88 3a8h s TYR 160 Cb -0.13 -2.65 -0.02 0.00 -0.11 0.00 0.00 41.96 39.05 3a8h s TYR 160 CO 0.04 -0.43 0.52 0.34 -1.11 0.00 0.00 175.55 174.91 3a8h s ASP 161 N 1.73 6.39 -1.23 2.29 -1.08 -1.26 -1.19 116.67 122.33 3a8h s ASP 161 Ca 0.11 0.33 -0.18 0.00 -0.52 0.00 0.00 52.55 52.29 3a8h s ASP 161 Cb -0.17 -2.28 0.09 0.00 -1.46 0.00 0.00 42.92 39.11 3a8h s ASP 161 CO 0.12 -0.37 1.61 -0.89 0.52 0.00 0.00 175.17 176.16 3a8h s THR 162 N 2.37 4.32 -0.76 1.71 2.01 0.80 -4.73 115.64 121.36 3a8h s THR 162 Ca 0.21 -1.92 0.20 0.00 0.31 0.00 0.00 61.69 60.48 3a8h s THR 162 Cb -0.15 -5.10 -0.23 0.00 0.01 0.00 0.00 72.50 67.02 3a8h s THR 162 CO 0.11 -1.91 0.76 0.35 -0.69 0.00 0.00 174.62 173.24 3a8h n THR 163 N 6.02 0.00 0.00 -0.82 -2.24 -1.26 -4.76 114.28 111.23 3a8h n THR 163 Ca 0.43 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 3a8h n THR 163 Cb 0.46 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3a8h n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a8h n ALA 164 N -1.60 0.00 0.66 6.98 0.00 -1.26 -5.07 120.51 120.22 3a8h n ALA 164 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3a8h n ALA 164 Cb 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 3a8h n ALA 164 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a8h n GLU 165 N 0.00 0.75 -1.86 0.00 -0.58 -1.26 -4.92 120.64 112.77 3a8h n GLU 165 Ca 0.00 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 3a8h n GLU 165 Cb 0.00 -1.40 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 3a8h n GLU 165 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3a8h s THR 166 N -2.91 2.29 -0.11 2.62 2.01 -1.26 -4.48 115.64 113.80 3a8h s THR 166 Ca 0.04 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.31 3a8h s THR 166 Cb 0.14 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3a8h s THR 166 CO 0.78 0.04 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.39 3a8h s ARG 167 N -0.27 2.97 0.11 4.92 1.81 -0.26 -4.83 118.95 123.39 3a8h s ARG 167 Ca 0.63 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.83 3a8h s ARG 167 Cb -0.46 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.72 3a8h s ARG 167 CO 0.45 0.12 0.11 0.71 -0.68 0.00 0.00 175.30 176.00 3a8h s TYR 168 N 0.49 3.21 0.02 -0.53 2.02 -1.26 -1.58 117.35 119.72 3a8h s TYR 168 Ca -0.15 0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 3a8h s TYR 168 Cb -0.17 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3a8h s TYR 168 CO 0.06 0.52 -0.08 0.00 -1.57 0.00 0.00 175.55 174.48 3a8h s MET 169 N -2.64 0.56 -0.00 -0.62 0.23 -0.95 -4.42 119.30 111.46 3a8h s MET 169 Ca 0.30 -0.48 -0.25 0.00 -1.03 0.00 0.00 55.69 54.23 3a8h s MET 169 Cb -0.12 -0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 32.67 3a8h s MET 169 CO 0.23 0.11 0.78 0.08 -2.03 0.00 0.00 175.02 174.20 3a8h s VAL 170 N -0.68 4.87 -0.61 5.16 1.01 -0.03 -1.10 120.40 129.01 3a8h s VAL 170 Ca -0.02 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 63.42 3a8h s VAL 170 Cb -0.06 -4.13 0.11 0.00 0.00 0.00 0.00 36.38 32.31 3a8h s VAL 170 CO 0.00 0.29 0.70 -0.22 0.00 0.00 0.00 175.10 175.86 3a8h s LEU 171 N 0.45 5.56 0.77 3.92 2.96 0.26 -4.62 118.68 127.98 3a8h s LEU 171 Ca 0.41 -1.58 -0.11 0.00 -0.22 0.00 0.00 54.13 52.63 3a8h s LEU 171 Cb -0.20 -2.29 0.05 0.00 0.50 0.00 0.00 46.19 44.26 3a8h s LEU 171 CO 0.22 -1.05 1.08 -2.16 -1.32 0.00 0.00 176.35 173.13 3a8h s PRO 172 N 2.40 2.34 0.43 0.98 0.05 -1.26 -1.37 135.00 138.56 3a8h s PRO 172 Ca 0.11 0.76 -0.25 0.00 0.05 0.00 0.00 61.00 61.67 3a8h s PRO 172 Cb -0.24 -1.94 -0.08 0.00 0.05 0.00 0.00 34.50 32.30 3a8h s PRO 172 CO 0.04 -1.47 1.30 -0.65 0.05 0.00 0.00 177.00 176.27 3a8h s GLN 173 N -5.10 3.85 -0.20 4.56 -0.21 -1.26 -4.81 119.66 116.48 3a8h s GLN 173 Ca 0.60 2.14 -0.29 0.00 0.02 0.00 0.00 55.36 57.82 3a8h s GLN 173 Cb -0.14 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.21 3a8h s GLN 173 CO 0.55 -0.59 1.06 0.50 -2.12 0.00 0.00 175.29 174.69 3a8h s ARG 174 N -2.37 4.28 0.50 2.91 3.52 -1.26 -4.70 118.95 121.83 3a8h s ARG 174 Ca 0.59 1.40 -0.20 0.00 -0.13 0.00 0.00 55.73 57.39 3a8h s ARG 174 Cb -0.38 -3.64 -0.07 0.00 -1.56 0.00 0.00 34.95 29.31 3a8h s ARG 174 CO 0.48 -0.58 1.09 -1.25 -0.81 0.00 0.00 175.30 174.23 3a8h s PRO 175 N 3.02 3.62 0.64 5.12 0.04 -1.26 -5.01 135.00 141.18 3a8h s PRO 175 Ca 0.46 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 3a8h s PRO 175 Cb -0.16 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 3a8h s PRO 175 CO 0.09 -0.61 1.20 0.00 0.04 0.00 0.00 177.00 177.72 3a8h s ALA 176 N -1.81 2.40 0.00 8.56 0.00 -1.26 -3.33 121.76 126.32 3a8h s ALA 176 Ca 0.69 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3a8h s ALA 176 Cb -0.22 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3a8h s ALA 176 CO 0.25 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.02 3a8h n GLY 177 N 0.36 0.70 0.72 0.00 0.00 -1.26 -4.88 105.19 100.83 3a8h n GLY 177 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 3a8h n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a8h n THR 178 N -2.01 1.50 -1.82 2.61 -2.24 -1.21 -5.01 114.28 106.10 3a8h n THR 178 Ca 0.00 -1.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.01 3a8h n THR 178 Cb 0.00 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3a8h n THR 178 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3a8h s GLU 179 N -1.72 4.16 0.00 -0.78 8.01 -1.26 -1.94 118.70 125.17 3a8h s GLU 179 Ca 0.30 2.50 0.00 0.00 0.01 0.00 0.00 54.97 57.78 3a8h s GLU 179 Cb 0.20 -3.14 0.00 0.00 -4.31 0.00 0.00 34.13 26.88 3a8h s GLU 179 CO 0.13 -0.70 0.00 0.41 0.01 0.00 0.00 175.26 175.11 3a8h n GLY 180 N 3.90 1.56 3.74 -1.39 0.00 -1.26 -5.02 105.19 106.71 3a8h n GLY 180 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3a8h n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8h s TRP 181 N -3.53 2.21 0.77 1.61 0.52 -0.82 -5.00 118.94 114.70 3a8h s TRP 181 Ca 0.00 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.54 3a8h s TRP 181 Cb 0.00 -3.53 0.05 0.00 -1.15 0.00 0.00 33.47 28.84 3a8h s TRP 181 CO 0.00 -2.52 1.09 -1.54 0.02 0.00 0.00 176.95 174.00 3a8h s SER 182 N -1.70 4.70 0.00 2.95 1.04 -1.26 -4.83 113.70 114.60 3a8h s SER 182 Ca 0.78 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3a8h s SER 182 Cb -0.32 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3a8h s SER 182 CO 0.39 -1.86 0.08 0.00 0.98 0.00 0.00 173.24 172.83 3a8h n GLN 183 N -3.37 0.07 0.00 4.02 6.02 -1.26 -0.99 117.38 121.87 3a8h n GLN 183 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3a8h n GLN 183 Cb 0.55 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3a8h n GLN 183 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3a8h n GLN 185 N 1.12 0.00 -0.16 -1.09 6.02 -1.26 -0.56 117.38 121.45 3a8h n GLN 185 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3a8h n GLN 185 Cb 0.04 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.33 3a8h n GLN 185 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3a8h h LEU 186 N 0.00 0.97 -3.86 1.08 3.38 -1.38 -3.34 115.31 112.16 3a8h h LEU 186 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3a8h h LEU 186 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3a8h h LEU 186 CO 0.00 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.63 3a8h n GLN 187 N -4.14 0.00 0.00 1.13 6.02 0.28 -3.22 117.38 117.45 3a8h n GLN 187 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3a8h n GLN 187 Cb 0.41 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.33 3a8h n GLN 187 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3a8h n ILE 189 N 1.70 0.00 -3.03 5.09 -5.35 -1.26 -4.68 119.36 111.83 3a8h n ILE 189 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 3a8h n ILE 189 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.86 3a8h n ILE 189 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3a8h s VAL 190 N 0.00 4.70 0.63 7.28 1.01 -1.20 -4.24 120.40 128.59 3a8h s VAL 190 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3a8h s VAL 190 Cb 0.00 -4.57 0.07 0.00 0.00 0.00 0.00 36.38 31.88 3a8h s VAL 190 CO 0.00 -1.25 0.89 0.42 0.00 0.00 0.00 175.10 175.16 3a8h s THR 191 N 2.98 2.43 0.21 3.92 -4.23 -1.26 -4.65 115.64 115.04 3a8h s THR 191 Ca 0.16 -0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 60.02 3a8h s THR 191 Cb -0.20 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 70.92 3a8h s THR 191 CO 0.06 0.00 1.72 0.50 -0.54 0.00 0.00 174.62 176.36 3a8h h LYS 192 N -0.25 0.32 -0.11 3.99 3.64 -1.92 -1.34 116.57 120.90 3a8h h LYS 192 Ca -0.41 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 3a8h h LYS 192 Cb 1.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3a8h h LYS 192 CO 0.50 0.21 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.35 3a8h h ASP 193 N 0.33 0.15 -0.73 4.20 3.45 -1.95 -1.59 116.42 120.28 3a8h h ASP 193 Ca 0.31 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.69 3a8h h ASP 193 Cb 0.43 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 3a8h h ASP 193 CO -0.35 0.28 0.23 0.00 -1.57 0.00 0.00 179.24 177.83 3a8h h LEU 195 N 1.10 0.35 -0.36 0.00 3.38 -0.83 -2.92 115.31 116.02 3a8h h LEU 195 Ca 0.24 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 3a8h h LEU 195 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3a8h h LEU 195 CO -0.01 0.82 -0.81 0.40 0.09 0.00 0.00 178.44 178.93 3a8h h ILE 196 N 0.24 1.44 0.00 1.22 2.04 -1.28 -0.05 117.51 121.13 3a8h h ILE 196 Ca 0.01 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.47 3a8h h ILE 196 Cb 1.02 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3a8h h ILE 196 CO 0.09 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.55 3a8h n GLY 197 N 0.71 0.82 0.11 5.37 0.00 -0.40 -1.01 105.19 110.78 3a8h n GLY 197 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3a8h n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a8h n VAL 198 N -0.83 0.60 -4.34 1.61 0.24 -0.75 -4.63 118.33 110.24 3a8h n VAL 198 Ca 0.00 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.79 3a8h n VAL 198 Cb 0.00 -0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 31.68 3a8h n VAL 198 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8h s ALA 199 N -3.10 2.04 -0.11 2.33 0.00 -0.97 -4.65 121.76 117.30 3a8h s ALA 199 Ca 0.10 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 3a8h s ALA 199 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3a8h s ALA 199 CO 0.60 0.25 0.00 0.42 0.00 0.00 0.00 175.76 177.03 3a8h s ILE 200 N -2.03 4.28 0.25 0.00 1.01 -1.26 -4.15 121.20 119.29 3a8h s ILE 200 Ca 0.16 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 3a8h s ILE 200 Cb -0.06 -2.83 -0.13 0.00 0.01 0.00 0.00 42.46 39.45 3a8h s ILE 200 CO 0.07 0.57 1.44 -2.65 0.00 0.00 0.00 174.94 174.36 3a8h n PRO 201 N 2.54 2.15 -4.45 2.79 -0.02 -1.26 -4.98 135.00 131.78 3a8h n PRO 201 Ca -0.18 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 3a8h n PRO 201 Cb 0.53 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.46 3a8h n PRO 201 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a8h s GLN 202 N -0.48 3.15 -0.21 -0.52 -1.52 -1.26 -4.76 119.66 114.06 3a8h s GLN 202 Ca 0.67 -0.48 -0.13 0.00 -1.95 0.00 0.00 55.36 53.46 3a8h s GLN 202 Cb -0.62 -2.78 -0.05 0.00 -0.22 0.00 0.00 33.01 29.35 3a8h s GLN 202 CO 0.50 0.54 0.27 0.08 -0.25 0.00 0.00 175.29 176.42 3a8h s VAL 203 N -0.44 5.29 -0.89 1.09 1.01 -1.26 -4.87 120.40 120.34 3a8h s VAL 203 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3a8h s VAL 203 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3a8h s VAL 203 CO 0.02 0.32 0.22 -2.65 0.00 0.00 0.00 175.10 173.01