#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8x s ALA 9 N 0.00 3.38 0.36 1.96 0.00 -1.26 0.31 121.76 126.50 2r8x s ALA 9 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.32 2r8x s ALA 9 Cb 0.00 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2r8x s ALA 9 CO 0.00 -0.49 -0.00 0.95 0.00 0.00 0.00 175.76 176.21 2r8x s THR 10 N 1.73 1.79 -1.73 0.00 -4.23 -1.12 -4.95 115.64 107.13 2r8x s THR 10 Ca 0.45 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 2r8x s THR 10 Cb -0.18 -2.82 0.54 0.00 1.34 0.00 0.00 72.50 71.38 2r8x s THR 10 CO 0.18 -0.07 1.75 0.00 -0.54 0.00 0.00 174.62 175.94 2r8x n TYR 12 N -1.14 0.00 0.00 0.00 4.02 -1.26 -5.10 117.16 113.69 2r8x n TYR 12 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2r8x n TYR 12 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 2r8x n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r8x n GLY 13 N 1.17 3.08 3.75 2.72 0.00 -0.73 -4.94 105.19 110.25 2r8x n GLY 13 Ca 0.05 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 2r8x n GLY 13 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2r8x s PRO 14 N -2.44 3.22 0.22 1.61 0.02 -1.26 -2.81 135.00 133.55 2r8x s PRO 14 Ca 0.00 2.25 0.09 0.00 0.02 0.00 0.00 61.00 63.36 2r8x s PRO 14 Cb 0.00 -2.31 -0.05 0.00 0.02 0.00 0.00 34.50 32.16 2r8x s PRO 14 CO 0.00 -1.13 -0.16 0.14 -0.33 0.00 0.00 177.00 175.52 2r8x s VAL 15 N -1.29 1.91 0.68 3.83 -7.23 0.15 -4.90 120.40 113.55 2r8x s VAL 15 Ca 0.70 -2.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 2r8x s VAL 15 Cb -0.41 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2r8x s VAL 15 CO 0.49 -0.52 1.08 -0.94 -0.31 0.00 0.00 175.10 174.89 2r8x s SER 16 N -3.29 5.20 0.33 4.85 1.04 -1.26 -4.52 113.70 116.05 2r8x s SER 16 Ca 0.23 1.79 0.03 0.00 0.48 0.00 0.00 55.95 58.48 2r8x s SER 16 Cb -0.02 -2.52 0.56 0.00 0.10 0.00 0.00 66.02 64.14 2r8x s SER 16 CO 0.09 -1.57 1.88 0.00 0.98 0.00 0.00 173.24 174.62 2r8x h ALA 17 N -0.41 1.36 -0.58 5.32 0.00 -1.99 -2.01 119.26 120.96 2r8x h ALA 17 Ca -0.45 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2r8x h ALA 17 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2r8x h ALA 17 CO 0.55 0.46 0.20 0.22 0.00 0.00 0.00 179.25 180.67 2r8x h ASP 18 N 0.61 0.82 -0.54 0.00 3.58 -1.99 0.06 116.42 118.96 2r8x h ASP 18 Ca 0.14 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 2r8x h ASP 18 Cb 0.27 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2r8x h ASP 18 CO 0.00 0.80 0.02 0.58 -2.88 0.00 0.00 179.24 177.76 2r8x h VAL 19 N 0.80 1.26 -0.26 2.25 2.07 -1.86 -1.55 116.25 118.97 2r8x h VAL 19 Ca 0.19 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 2r8x h VAL 19 Cb 0.26 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2r8x h VAL 19 CO -0.01 0.38 -0.22 -0.03 0.02 0.00 0.00 177.57 177.72 2r8x h MET 20 N 0.83 0.48 -0.45 1.57 1.85 -1.18 -1.13 114.93 116.90 2r8x h MET 20 Ca 0.16 -0.17 -0.12 0.00 -0.61 0.00 0.00 59.70 58.96 2r8x h MET 20 Cb 0.51 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 2r8x h MET 20 CO 0.02 0.67 -0.18 0.00 -0.40 0.00 0.00 176.91 177.02 2r8x h ALA 21 N 1.34 0.63 -0.46 0.39 0.00 -0.81 -1.65 119.26 118.70 2r8x h ALA 21 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2r8x h ALA 21 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2r8x h ALA 21 CO 0.04 0.59 0.17 0.87 0.00 0.00 0.00 179.25 180.92 2r8x h LYS 22 N 0.77 0.70 0.00 0.00 1.57 -1.11 -2.99 116.57 115.50 2r8x h LYS 22 Ca 0.11 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2r8x h LYS 22 Cb 0.75 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2r8x h LYS 22 CO 0.06 0.65 -0.26 0.00 -0.57 0.00 0.00 179.45 179.33 2r8x h ALA 23 N 1.02 1.54 0.00 3.86 0.00 -1.11 -2.87 119.26 121.70 2r8x h ALA 23 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2r8x h ALA 23 Cb 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2r8x h ALA 23 CO -0.01 0.32 -0.09 1.49 0.00 0.00 0.00 179.25 180.96 2r8x h GLU 24 N 0.00 0.00 -0.68 0.00 4.22 -1.14 -2.92 114.58 114.06 2r8x h GLU 24 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2r8x h GLU 24 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2r8x h GLU 24 CO 0.03 0.09 0.00 0.09 -2.18 0.00 0.00 179.01 177.05 2r8x n ASN 25 N -4.33 4.24 -4.66 1.04 4.13 -1.08 -4.77 115.26 109.83 2r8x n ASN 25 Ca -0.03 -2.18 -0.42 0.00 1.68 0.00 0.00 54.58 53.63 2r8x n ASN 25 Cb 0.17 -0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 2r8x n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r8x s ILE 26 N -1.35 4.78 -0.03 2.41 -1.09 -1.10 -4.30 121.20 120.53 2r8x s ILE 26 Ca 0.49 1.78 0.11 0.00 -2.23 0.00 0.00 60.65 60.80 2r8x s ILE 26 Cb 0.28 -4.20 -0.17 0.00 -1.58 0.00 0.00 42.46 36.78 2r8x s ILE 26 CO 0.29 -0.09 0.22 0.54 -1.23 0.00 0.00 174.94 174.68 2r8x n ARG 27 N 5.90 0.55 -4.46 2.79 5.12 0.75 -4.85 116.66 122.47 2r8x n ARG 27 Ca 0.08 -0.09 -0.22 0.00 -1.93 0.00 0.00 57.85 55.69 2r8x n ARG 27 Cb 0.47 -1.27 -0.16 0.00 -1.16 0.00 0.00 32.46 30.34 2r8x n ARG 27 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2r8x s LEU 28 N -3.89 1.68 -0.24 0.55 2.96 -0.93 -0.40 118.68 118.42 2r8x s LEU 28 Ca -0.04 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2r8x s LEU 28 Cb 0.07 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 46.10 2r8x s LEU 28 CO 0.46 0.05 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.28 2r8x s LEU 29 N 0.43 3.06 -0.19 -0.68 2.96 0.80 -1.05 118.68 124.00 2r8x s LEU 29 Ca -0.08 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 2r8x s LEU 29 Cb -0.12 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2r8x s LEU 29 CO 0.02 -0.07 0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 2r8x s ILE 30 N 1.44 4.94 -0.01 6.68 1.01 0.50 -0.43 121.20 135.32 2r8x s ILE 30 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.78 2r8x s ILE 30 Cb -0.15 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2r8x s ILE 30 CO -0.03 0.44 -0.23 -0.76 0.00 0.00 0.00 174.94 174.36 2r8x s LEU 31 N 0.47 2.28 0.66 2.97 1.43 0.56 -1.42 118.68 125.63 2r8x s LEU 31 Ca 0.04 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2r8x s LEU 31 Cb -0.12 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2r8x s LEU 31 CO 0.00 0.31 1.02 -0.62 0.23 0.00 0.00 176.35 177.29 2r8x s ASP 32 N -0.83 5.50 -0.03 2.29 3.68 -0.93 -1.86 116.67 124.49 2r8x s ASP 32 Ca 0.11 0.95 -0.03 0.00 2.13 0.00 0.00 52.55 55.72 2r8x s ASP 32 Cb -0.10 -1.83 -0.01 0.00 -1.45 0.00 0.00 42.92 39.53 2r8x s ASP 32 CO 0.00 -1.23 -0.05 0.52 0.13 0.00 0.00 175.17 174.54 2r8x n VAL 33 N -2.83 0.22 -2.27 1.11 0.31 -1.26 -3.67 118.33 109.93 2r8x n VAL 33 Ca 0.06 0.45 -0.42 0.00 -0.01 0.00 0.00 64.34 64.42 2r8x n VAL 33 Cb 0.57 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.85 2r8x n VAL 33 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2r8x s ASP 34 N -4.24 5.99 0.00 4.52 1.01 -1.26 -0.35 116.67 122.34 2r8x s ASP 34 Ca -0.04 0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.74 2r8x s ASP 34 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2r8x s ASP 34 CO 0.06 -1.77 0.00 0.61 0.21 0.00 0.00 175.17 174.28 2r8x n GLY 35 N 5.32 0.52 1.01 0.21 0.00 -1.02 -4.69 105.19 106.54 2r8x n GLY 35 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2r8x n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2r8x n VAL 36 N -1.37 0.93 0.12 1.61 0.31 -0.69 -3.95 118.33 115.29 2r8x n VAL 36 Ca 0.00 0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.66 2r8x n VAL 36 Cb 0.00 -1.46 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 2r8x n VAL 36 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2r8x h LEU 37 N -0.02 0.00-10.10 7.52 3.38 -0.76 -2.23 115.31 113.09 2r8x h LEU 37 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2r8x h LEU 37 Cb 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.66 2r8x h LEU 37 CO 0.00 0.48 -0.48 -0.94 0.09 0.00 0.00 178.44 177.59 2r8x s SER 38 N -6.31 4.21 -0.06 -0.43 1.04 -0.70 -4.10 113.70 107.35 2r8x s SER 38 Ca 0.03 -1.62 0.14 0.00 0.48 0.00 0.00 55.95 54.98 2r8x s SER 38 Cb 0.08 0.57 0.51 0.00 0.10 0.00 0.00 66.02 67.27 2r8x s SER 38 CO 0.76 -0.91 1.39 -0.90 0.98 0.00 0.00 173.24 174.56 2r8x n ASP 39 N -1.35 3.37 0.00 7.02 3.85 -1.25 -1.80 116.55 126.39 2r8x n ASP 39 Ca -0.18 -2.22 0.00 0.00 -0.71 0.00 0.00 54.79 51.68 2r8x n ASP 39 Cb 0.67 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 2r8x n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r8x n GLY 40 N 1.05 0.59 3.79 6.12 0.00 -1.26 -4.67 105.19 110.81 2r8x n GLY 40 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2r8x n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r8x s LEU 41 N 0.00 4.55 -0.20 0.99 1.43 -1.26 -4.83 118.68 119.36 2r8x s LEU 41 Ca 0.00 1.44 -0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2r8x s LEU 41 Cb 0.00 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2r8x s LEU 41 CO 0.00 0.23 -0.14 -0.63 0.23 0.00 0.00 176.35 176.04 2r8x s ILE 42 N -1.06 2.42 -0.31 -0.59 -1.09 -1.26 -4.74 121.20 114.56 2r8x s ILE 42 Ca 0.32 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.62 2r8x s ILE 42 Cb -0.21 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.55 2r8x s ILE 42 CO 0.22 0.41 0.51 -0.31 -1.23 0.00 0.00 174.94 174.55 2r8x s TYR 43 N 1.31 3.22 -0.03 3.97 1.51 -0.83 -4.99 117.35 121.51 2r8x s TYR 43 Ca 0.03 0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.57 2r8x s TYR 43 Cb -0.14 -2.82 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2r8x s TYR 43 CO -0.09 -0.41 -0.25 -1.64 -1.11 0.00 0.00 175.55 172.05 2r8x s MET 44 N 2.35 2.12 0.41 -0.62 -1.94 -1.26 -0.83 119.30 119.53 2r8x s MET 44 Ca 0.20 -0.88 0.07 0.00 -1.71 0.00 0.00 55.69 53.37 2r8x s MET 44 Cb -0.15 -1.98 -0.07 0.00 2.01 0.00 0.00 34.83 34.64 2r8x s MET 44 CO 0.11 0.49 0.05 0.20 -0.01 0.00 0.00 175.02 175.87 2r8x s GLY 45 N -0.47 2.45 0.40 -0.03 0.00 -0.27 -4.97 107.32 104.44 2r8x s GLY 45 Ca 0.06 -2.25 0.21 0.00 0.00 0.00 0.00 44.72 42.74 2r8x s GLY 45 CO 0.00 -2.05 1.77 3.43 0.00 0.00 0.00 173.10 176.26 2r8x h ASN 46 N 1.68 0.00 -0.42 1.64 2.35 -2.01 -2.37 115.58 116.45 2r8x h ASN 46 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2r8x h ASN 46 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2r8x h ASN 46 CO 0.78 0.31 0.00 0.59 -1.65 0.00 0.00 177.43 177.46 2r8x n ASN 47 N -3.48 2.35 0.00 5.81 5.03 -1.26 -4.90 115.26 118.80 2r8x n ASN 47 Ca -0.00 -2.02 0.00 0.00 0.87 0.00 0.00 54.58 53.43 2r8x n ASN 47 Cb 0.47 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2r8x n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2r8x n GLY 48 N 1.15 0.54 3.77 7.41 0.00 -0.89 -5.05 105.19 112.12 2r8x n GLY 48 Ca 0.14 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2r8x n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r8x s GLU 49 N -1.13 3.74 -0.05 1.61 8.01 -1.25 -4.81 118.70 124.81 2r8x s GLU 49 Ca 0.00 1.83 0.02 0.00 0.01 0.00 0.00 54.97 56.82 2r8x s GLU 49 Cb 0.00 -2.43 0.02 0.00 -4.31 0.00 0.00 34.13 27.41 2r8x s GLU 49 CO 0.00 -0.58 -0.09 -2.00 0.01 0.00 0.00 175.26 172.60 2r8x s GLU 50 N -2.66 1.31 0.12 1.61 2.12 -1.26 -1.12 118.70 118.81 2r8x s GLU 50 Ca 0.63 -0.28 0.10 0.00 0.36 0.00 0.00 54.97 55.78 2r8x s GLU 50 Cb -0.30 -1.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 2r8x s GLU 50 CO 0.36 -0.01 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.32 2r8x s LEU 51 N 0.72 2.31 0.03 2.70 1.43 -0.01 -4.99 118.68 120.86 2r8x s LEU 51 Ca -0.13 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 2r8x s LEU 51 Cb -0.15 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2r8x s LEU 51 CO 0.02 0.14 -0.05 -0.75 0.23 0.00 0.00 176.35 175.94 2r8x s LYS 52 N -2.00 0.40 -0.16 1.70 2.20 -1.26 -1.97 119.74 118.65 2r8x s LYS 52 Ca 0.11 -0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 55.10 2r8x s LYS 52 Cb -0.10 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 2r8x s LYS 52 CO 0.05 0.03 0.03 0.00 -0.36 0.00 0.00 175.35 175.10 2r8x s ALA 53 N -1.11 3.28 0.24 3.13 0.00 -1.26 -5.09 121.76 120.94 2r8x s ALA 53 Ca -0.09 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.21 2r8x s ALA 53 Cb -0.08 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 2r8x s ALA 53 CO -0.00 0.24 -0.14 -0.06 0.00 0.00 0.00 175.76 175.80 2r8x s PHE 54 N 0.21 2.45 -0.19 0.00 0.40 -1.26 -4.26 117.98 115.34 2r8x s PHE 54 Ca 0.02 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2r8x s PHE 54 Cb -0.13 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 2r8x s PHE 54 CO 0.01 0.62 0.05 1.21 0.70 0.00 0.00 175.22 177.81 2r8x s ASN 55 N -3.26 5.50 0.44 1.36 3.04 -1.26 -5.00 114.94 115.76 2r8x s ASN 55 Ca 0.28 0.03 0.10 0.00 0.04 0.00 0.00 52.86 53.31 2r8x s ASN 55 Cb -0.07 -1.94 0.97 0.00 -1.54 0.00 0.00 41.25 38.67 2r8x s ASN 55 CO 0.15 0.15 2.06 -0.37 -3.04 0.00 0.00 177.10 176.05 2r8x h VAL 56 N 4.97 1.04 -1.00 -5.21 -1.51 -1.95 -2.03 116.25 110.57 2r8x h VAL 56 Ca -0.36 -0.15 0.02 0.00 -1.23 0.00 0.00 66.70 64.98 2r8x h VAL 56 Cb 1.17 0.58 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 2r8x h VAL 56 CO 0.68 0.08 0.66 -0.09 -1.23 0.00 0.00 177.57 177.67 2r8x h ARG 57 N 0.42 1.28 -0.52 5.19 2.43 -1.94 0.59 114.38 121.83 2r8x h ARG 57 Ca 0.15 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2r8x h ARG 57 Cb 0.08 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 2r8x h ARG 57 CO -0.03 0.85 0.13 -0.44 -1.51 0.00 0.00 179.97 178.97 2r8x h ASP 58 N 1.32 0.78 -0.89 -3.80 3.32 -1.73 -2.62 116.42 112.79 2r8x h ASP 58 Ca 0.38 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2r8x h ASP 58 Cb -0.09 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 2r8x h ASP 58 CO -0.10 0.80 0.58 1.23 -1.72 0.00 0.00 179.24 180.03 2r8x h GLY 59 N 0.72 1.28 0.99 2.75 0.00 -0.85 0.41 103.07 108.37 2r8x h GLY 59 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2r8x h GLY 59 CO 0.00 0.41 0.21 -1.82 0.00 0.00 0.00 176.54 175.34 2r8x h TYR 60 N 1.15 0.43 -0.66 5.60 5.03 -0.87 -1.59 116.97 126.06 2r8x h TYR 60 Ca 0.34 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.66 2r8x h TYR 60 Cb -0.05 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.05 2r8x h TYR 60 CO -0.01 0.29 0.42 0.78 -1.32 0.00 0.00 178.16 178.32 2r8x h GLY 61 N 0.44 0.94 1.05 1.82 0.00 -0.94 -1.47 103.07 104.91 2r8x h GLY 61 Ca 0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2r8x h GLY 61 CO -0.02 0.36 0.18 -2.22 0.00 0.00 0.00 176.54 174.84 2r8x h ILE 62 N 0.89 1.26 -0.61 2.60 2.04 -0.86 -1.66 117.51 121.17 2r8x h ILE 62 Ca 0.24 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2r8x h ILE 62 Cb -0.07 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2r8x h ILE 62 CO -0.05 0.36 0.27 0.03 0.00 0.00 0.00 178.15 178.76 2r8x h ARG 63 N 1.02 0.88 -0.22 2.37 2.47 -0.93 -0.72 114.38 119.25 2r8x h ARG 63 Ca 0.22 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2r8x h ARG 63 Cb 0.35 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2r8x h ARG 63 CO -0.00 0.70 0.00 0.00 0.56 0.00 0.00 179.97 181.23 2r8x h ALA 65 N 0.80 0.44 -0.12 0.00 0.00 -1.03 -2.60 119.26 116.75 2r8x h ALA 65 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2r8x h ALA 65 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2r8x h ALA 65 CO 0.01 -0.08 -0.23 -0.07 0.00 0.00 0.00 179.25 178.88 2r8x h LEU 66 N 0.46 0.20 -2.05 0.00 3.38 -1.10 -1.58 115.31 114.62 2r8x h LEU 66 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2r8x h LEU 66 Cb -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2r8x h LEU 66 CO -0.02 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.29 2r8x n THR 67 N -4.19 0.91 -2.20 0.22 -2.24 -1.00 -4.13 114.28 101.64 2r8x n THR 67 Ca -0.01 -0.74 -0.01 0.00 -2.27 0.00 0.00 64.05 61.02 2r8x n THR 67 Cb 0.34 0.22 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 2r8x n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2r8x n SER 68 N 0.90 2.03 -3.38 3.42 7.64 -0.78 -4.99 113.62 118.46 2r8x n SER 68 Ca 0.18 -2.90 -0.24 0.00 1.01 0.00 0.00 58.87 56.91 2r8x n SER 68 Cb 0.52 -0.41 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 2r8x n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2r8x n ASP 69 N -0.42 -5.85 -3.93 6.43 4.64 -1.22 -4.98 116.55 111.22 2r8x n ASP 69 Ca 0.17 -0.45 -0.30 0.00 -1.38 0.00 0.00 54.79 52.83 2r8x n ASP 69 Cb 0.91 -4.68 -0.16 0.00 -1.04 0.00 0.00 41.12 36.15 2r8x n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2r8x s ILE 70 N -3.22 1.41 0.59 5.18 1.01 -0.66 -4.80 121.20 120.70 2r8x s ILE 70 Ca 0.46 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2r8x s ILE 70 Cb -0.21 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2r8x s ILE 70 CO 0.57 0.02 1.08 -1.61 0.00 0.00 0.00 174.94 175.00 2r8x s GLU 71 N 1.47 3.24 -0.05 2.79 0.41 0.47 -3.20 118.70 123.83 2r8x s GLU 71 Ca -0.03 1.31 0.04 0.00 -0.41 0.00 0.00 54.97 55.88 2r8x s GLU 71 Cb -0.17 -2.02 -0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2r8x s GLU 71 CO -0.07 -0.88 -0.18 0.08 -0.49 0.00 0.00 175.26 173.72 2r8x s VAL 72 N -2.31 1.50 0.06 2.63 1.01 -1.26 -0.14 120.40 121.90 2r8x s VAL 72 Ca 0.66 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2r8x s VAL 72 Cb -0.18 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2r8x s VAL 72 CO 0.35 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.77 2r8x s ALA 73 N 0.11 0.92 -0.12 5.51 0.00 0.43 -4.28 121.76 124.33 2r8x s ALA 73 Ca -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2r8x s ALA 73 Cb -0.13 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2r8x s ALA 73 CO 0.03 0.06 -0.18 0.42 0.00 0.00 0.00 175.76 176.09 2r8x s ILE 74 N -1.48 1.70 -0.17 0.00 1.01 0.07 -0.33 121.20 122.00 2r8x s ILE 74 Ca -0.04 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2r8x s ILE 74 Cb -0.09 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.88 2r8x s ILE 74 CO 0.01 0.48 -0.16 -0.63 0.00 0.00 0.00 174.94 174.65 2r8x s ILE 75 N 0.88 1.80 0.09 2.92 1.01 -0.78 -0.24 121.20 126.88 2r8x s ILE 75 Ca -0.08 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2r8x s ILE 75 Cb -0.15 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 2r8x s ILE 75 CO -0.01 0.41 -0.10 0.28 0.00 0.00 0.00 174.94 175.52 2r8x s THR 76 N 1.38 0.93 -0.04 2.92 -1.32 -0.07 -4.31 115.64 115.13 2r8x s THR 76 Ca 0.03 -1.56 0.12 0.00 -1.21 0.00 0.00 61.69 59.07 2r8x s THR 76 Cb -0.14 -1.27 -0.08 0.00 -1.51 0.00 0.00 72.50 69.51 2r8x s THR 76 CO -0.11 -0.51 1.30 1.23 -2.21 0.00 0.00 174.62 174.32 2r8x h GLY 77 N 3.72 0.00 -1.43 6.08 0.00 -1.87 -1.47 103.07 108.09 2r8x h GLY 77 Ca -0.38 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.50 2r8x h GLY 77 CO 0.50 0.00 0.11 0.50 0.00 0.00 0.00 176.54 177.66 2r8x s ARG 78 N -2.84 2.21 -0.05 4.80 0.52 -1.26 -3.78 118.95 118.55 2r8x s ARG 78 Ca 0.02 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2r8x s ARG 78 Cb 0.09 -2.31 0.03 0.00 0.52 0.00 0.00 34.95 33.28 2r8x s ARG 78 CO 0.78 -1.10 0.05 0.21 0.02 0.00 0.00 175.30 175.26 2r8x s LYS 79 N -5.06 0.08 -0.12 3.54 2.20 -1.26 -1.55 119.74 117.58 2r8x s LYS 79 Ca 0.60 0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 56.42 2r8x s LYS 79 Cb -0.10 -0.63 0.03 0.00 -1.51 0.00 0.00 37.83 35.62 2r8x s LYS 79 CO 0.42 -0.33 0.32 0.00 -0.36 0.00 0.00 175.35 175.40 2r8x s ALA 80 N 2.12 -0.78 0.52 3.13 0.00 -1.26 -5.02 121.76 120.47 2r8x s ALA 80 Ca 0.05 0.91 0.18 0.00 0.00 0.00 0.00 51.96 53.10 2r8x s ALA 80 Cb -0.12 -0.53 1.33 0.00 0.00 0.00 0.00 23.12 23.80 2r8x s ALA 80 CO -0.04 -0.15 2.15 -0.22 0.00 0.00 0.00 175.76 177.50 2r8x h LYS 81 N 5.73 0.00 0.00 0.00 1.63 -2.00 -2.34 116.57 119.58 2r8x h LYS 81 Ca -0.27 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.50 2r8x h LYS 81 Cb 1.19 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2r8x h LYS 81 CO 0.31 0.02 -0.15 1.37 -3.45 0.00 0.00 179.45 177.56 2r8x h LEU 82 N 0.00 0.00 -0.28 5.20 8.10 -1.96 -2.00 115.31 124.37 2r8x h LEU 82 Ca -0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 2r8x h LEU 82 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.27 2r8x h LEU 82 CO 0.00 0.15 -0.69 0.58 -4.11 0.00 0.00 178.44 174.37 2r8x h VAL 83 N 0.00 1.30 -0.53 0.15 2.07 -1.85 -1.77 116.25 115.62 2r8x h VAL 83 Ca -0.00 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.61 2r8x h VAL 83 Cb 0.27 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2r8x h VAL 83 CO 0.02 0.61 0.32 -0.33 0.02 0.00 0.00 177.57 178.21 2r8x h GLU 84 N 0.50 0.62 -0.69 1.57 5.08 -1.47 -1.80 114.58 118.40 2r8x h GLU 84 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2r8x h GLU 84 Cb 1.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2r8x h GLU 84 CO 0.14 0.41 0.42 -0.44 -1.00 0.00 0.00 179.01 178.54 2r8x h ASP 85 N 0.64 0.83 -0.67 1.42 3.32 -1.23 -1.37 116.42 119.36 2r8x h ASP 85 Ca 0.21 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2r8x h ASP 85 Cb 0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2r8x h ASP 85 CO -0.09 0.64 0.32 -0.09 -1.72 0.00 0.00 179.24 178.30 2r8x h ARG 86 N 0.94 0.96 -0.57 3.56 9.65 -1.07 -1.42 114.38 126.44 2r8x h ARG 86 Ca 0.25 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2r8x h ARG 86 Cb -0.04 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 2r8x h ARG 86 CO -0.05 0.76 0.13 0.00 2.80 0.00 0.00 179.97 183.61 2r8x h ALA 88 N 1.30 0.80 -0.62 0.00 0.00 -0.83 0.18 119.26 120.09 2r8x h ALA 88 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2r8x h ALA 88 Cb 0.31 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2r8x h ALA 88 CO -0.00 0.40 0.33 1.15 0.00 0.00 0.00 179.25 181.13 2r8x h THR 89 N 0.86 0.96 0.00 0.00 2.02 -0.99 -3.02 112.91 112.74 2r8x h THR 89 Ca 0.21 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2r8x h THR 89 Cb 0.17 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2r8x h THR 89 CO -0.02 0.11 -0.65 0.18 0.37 0.00 0.00 175.52 175.51 2r8x n LEU 90 N -4.82 0.62 0.00 2.58 4.77 -0.96 -4.96 117.00 114.23 2r8x n LEU 90 Ca 0.07 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2r8x n LEU 90 Cb 0.16 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2r8x n LEU 90 CO 0.29 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2r8x n GLY 91 N 1.48 0.56 3.70 -0.72 0.00 0.35 -4.74 105.19 105.82 2r8x n GLY 91 Ca 0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2r8x n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8x s ILE 92 N -2.00 4.77 -0.74 -0.61 1.01 0.30 -4.93 121.20 118.99 2r8x s ILE 92 Ca 0.00 2.00 0.09 0.00 0.00 0.00 0.00 60.65 62.74 2r8x s ILE 92 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2r8x s ILE 92 CO 0.00 0.11 0.55 0.35 0.00 0.00 0.00 174.94 175.95 2r8x n THR 93 N 4.08 0.00 -3.70 2.92 -2.24 -1.26 -4.45 114.28 109.63 2r8x n THR 93 Ca 0.07 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 2r8x n THR 93 Cb 0.50 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.72 2r8x n THR 93 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2r8x s HIS 94 N -1.40 3.42 -0.09 4.78 3.76 -1.26 -5.06 115.29 119.44 2r8x s HIS 94 Ca 0.07 -2.70 0.05 0.00 -0.15 0.00 0.00 55.06 52.32 2r8x s HIS 94 Cb 0.07 -3.22 -0.00 0.00 1.11 0.00 0.00 32.58 30.54 2r8x s HIS 94 CO 0.26 -0.84 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.89 2r8x s LEU 95 N -0.10 2.08 -0.17 0.89 2.96 -1.26 -0.75 118.68 122.33 2r8x s LEU 95 Ca 0.17 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2r8x s LEU 95 Cb -0.20 -1.39 0.05 0.00 0.50 0.00 0.00 46.19 45.15 2r8x s LEU 95 CO -0.04 0.19 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.85 2r8x s TYR 96 N 0.18 1.41 0.19 5.38 1.51 0.67 -4.98 117.35 121.71 2r8x s TYR 96 Ca -0.14 -0.95 0.10 0.00 -1.01 0.00 0.00 57.07 55.07 2r8x s TYR 96 Cb -0.17 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2r8x s TYR 96 CO 0.07 -0.59 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.13 2r8x s GLN 97 N 1.73 1.87 -0.34 -0.62 -0.21 -1.26 -0.89 119.66 119.94 2r8x s GLN 97 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 53.99 2r8x s GLN 97 Cb -0.16 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.82 2r8x s GLN 97 CO -0.07 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 2r8x n GLY 98 N 0.03 0.41 3.50 3.09 0.00 -0.59 -4.94 105.19 106.70 2r8x n GLY 98 Ca -0.11 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 2r8x n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r8x s GLN 99 N -3.35 3.30 -0.01 1.61 2.00 -0.60 -4.88 119.66 117.73 2r8x s GLN 99 Ca 0.00 -0.78 0.15 0.00 -2.00 0.00 0.00 55.36 52.73 2r8x s GLN 99 Cb 0.00 -3.86 -0.19 0.00 0.80 0.00 0.00 33.01 29.76 2r8x s GLN 99 CO 0.00 -0.55 0.68 0.45 -0.50 0.00 0.00 175.29 175.37 2r8x n SER 100 N 5.12 0.77 -3.74 6.67 2.88 -1.26 -4.11 113.62 119.94 2r8x n SER 100 Ca -0.12 0.35 -0.25 0.00 -1.33 0.00 0.00 58.87 57.52 2r8x n SER 100 Cb 0.49 0.18 -0.17 0.00 -0.75 0.00 0.00 64.21 63.95 2r8x n SER 100 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2r8x s ASN 101 N -5.86 2.26 0.00 -3.46 2.47 -1.26 -5.01 114.94 104.08 2r8x s ASN 101 Ca -0.04 -0.47 0.25 0.00 0.42 0.00 0.00 52.86 53.02 2r8x s ASN 101 Cb 0.08 -0.50 0.57 0.00 -1.45 0.00 0.00 41.25 39.95 2r8x s ASN 101 CO 0.82 -0.26 1.45 0.29 -3.72 0.00 0.00 177.10 175.68 2r8x n LYS 102 N 5.11 0.36 0.20 0.43 5.02 -1.26 -3.12 118.16 124.91 2r8x n LYS 102 Ca -0.08 -0.22 0.04 0.00 -2.02 0.00 0.00 58.31 56.03 2r8x n LYS 102 Cb 0.49 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.43 2r8x n LYS 102 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2r8x h LEU 103 N 0.53 0.00 0.07 -0.35 3.38 -1.95 -1.56 115.31 115.43 2r8x h LEU 103 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r8x h LEU 103 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2r8x h LEU 103 CO 0.00 0.29 -0.03 0.40 0.09 0.00 0.00 178.44 179.19 2r8x h ILE 104 N 0.00 1.00 -0.39 1.22 2.04 -1.98 -0.38 117.51 119.02 2r8x h ILE 104 Ca -0.00 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 2r8x h ILE 104 Cb 0.52 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2r8x h ILE 104 CO 0.04 0.06 -0.19 0.00 0.00 0.00 0.00 178.15 178.06 2r8x h ALA 105 N 0.73 0.93 -0.61 1.87 0.00 -1.73 -2.47 119.26 117.99 2r8x h ALA 105 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2r8x h ALA 105 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2r8x h ALA 105 CO 0.02 0.62 0.25 0.35 0.00 0.00 0.00 179.25 180.48 2r8x h PHE 106 N 0.67 0.91 -0.54 0.00 3.04 -1.15 -1.95 116.94 117.92 2r8x h PHE 106 Ca 0.10 -0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 2r8x h PHE 106 Cb 0.68 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2r8x h PHE 106 CO 0.03 0.72 -0.06 0.77 -2.02 0.00 0.00 178.31 177.76 2r8x h SER 107 N 0.84 0.97 -0.89 0.41 0.02 -1.02 -2.79 113.55 111.09 2r8x h SER 107 Ca 0.20 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2r8x h SER 107 Cb 0.19 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2r8x h SER 107 CO -0.02 1.06 0.59 -0.78 -1.14 0.00 0.00 176.83 176.54 2r8x h ASP 108 N 0.89 1.02 -0.43 3.07 3.58 -1.18 -2.77 116.42 120.59 2r8x h ASP 108 Ca 0.15 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 2r8x h ASP 108 Cb 0.60 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2r8x h ASP 108 CO 0.04 0.74 -0.23 -0.07 -2.88 0.00 0.00 179.24 176.83 2r8x h LEU 109 N 1.20 0.95 -0.86 2.28 3.38 -1.21 -2.48 115.31 118.57 2r8x h LEU 109 Ca 0.33 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2r8x h LEU 109 Cb -0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.30 2r8x h LEU 109 CO -0.07 1.15 0.56 -0.07 0.09 0.00 0.00 178.44 180.10 2r8x h LEU 110 N 0.75 0.95 -0.08 1.67 3.38 -1.22 -1.54 115.31 119.21 2r8x h LEU 110 Ca 0.09 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2r8x h LEU 110 Cb 0.81 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2r8x h LEU 110 CO 0.07 0.66 -0.42 -0.33 0.09 0.00 0.00 178.44 178.51 2r8x h GLU 111 N 1.11 0.43 -0.10 1.13 5.08 -1.54 -1.14 114.58 119.55 2r8x h GLU 111 Ca 0.33 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2r8x h GLU 111 Cb -0.04 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2r8x h GLU 111 CO -0.10 0.99 -0.02 0.87 -1.00 0.00 0.00 179.01 179.75 2r8x h LYS 112 N -0.03 0.14 -0.17 2.33 1.57 -1.25 -2.80 116.57 116.36 2r8x h LYS 112 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2r8x h LYS 112 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2r8x h LYS 112 CO 0.09 0.18 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 2r8x n LEU 113 N -4.43 2.53 -3.86 2.94 4.77 -0.59 -5.00 117.00 113.36 2r8x n LEU 113 Ca -0.01 -1.38 -0.33 0.00 -0.03 0.00 0.00 56.01 54.26 2r8x n LEU 113 Cb 0.16 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2r8x n LEU 113 CO 0.36 0.54 -0.15 0.00 -1.33 0.00 0.00 177.39 176.81 2r8x n ALA 114 N 0.78 -2.41 -2.65 -1.18 0.00 -0.77 -4.97 120.51 109.30 2r8x n ALA 114 Ca 0.10 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 2r8x n ALA 114 Cb 0.39 -3.03 -0.14 0.00 0.00 0.00 0.00 19.45 16.67 2r8x n ALA 114 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2r8x s ILE 115 N -3.64 0.87 0.37 0.00 2.07 -0.50 -5.05 121.20 115.33 2r8x s ILE 115 Ca 0.35 -0.58 -0.13 0.00 -1.41 0.00 0.00 60.65 58.87 2r8x s ILE 115 Cb -0.14 -0.75 -0.08 0.00 0.13 0.00 0.00 42.46 41.62 2r8x s ILE 115 CO 0.90 0.16 0.77 0.00 -1.91 0.00 0.00 174.94 174.86 2r8x s ALA 116 N -0.42 3.31 0.46 1.50 0.00 -1.26 -4.71 121.76 120.65 2r8x s ALA 116 Ca 0.03 -0.06 0.21 0.00 0.00 0.00 0.00 51.96 52.14 2r8x s ALA 116 Cb -0.05 -2.76 1.20 0.00 0.00 0.00 0.00 23.12 21.50 2r8x s ALA 116 CO -0.00 0.14 1.91 -1.35 0.00 0.00 0.00 175.76 176.45 2r8x h PRO 117 N 1.70 0.26 0.00 0.00 0.11 -1.96 -1.43 132.00 130.67 2r8x h PRO 117 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2r8x h PRO 117 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2r8x h PRO 117 CO 0.64 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 2r8x n GLU 118 N -4.44 0.12 -0.30 1.05 0.00 -1.26 -0.88 120.64 114.93 2r8x n GLU 118 Ca 0.16 0.28 0.09 0.00 0.00 0.00 0.00 57.16 57.69 2r8x n GLU 118 Cb 0.67 -1.69 0.26 0.00 0.00 0.00 0.00 31.44 30.68 2r8x n GLU 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2r8x n ASN 119 N -1.91 3.13 -4.45 -1.84 3.02 -0.54 -4.21 115.26 108.46 2r8x n ASN 119 Ca 0.04 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.26 2r8x n ASN 119 Cb 0.26 -0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 2r8x n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2r8x s VAL 120 N -1.22 3.15 0.05 2.41 1.01 -0.97 -0.17 120.40 124.65 2r8x s VAL 120 Ca 0.39 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2r8x s VAL 120 Cb 0.20 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2r8x s VAL 120 CO 0.26 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 175.86 2r8x s ALA 121 N -0.29 3.03 -0.05 5.51 0.00 -0.21 -1.50 121.76 128.25 2r8x s ALA 121 Ca 0.02 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2r8x s ALA 121 Cb -0.13 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.96 2r8x s ALA 121 CO 0.03 0.64 -0.01 -0.47 0.00 0.00 0.00 175.76 175.94 2r8x s TYR 122 N -1.12 0.63 -0.33 0.00 5.04 -0.45 -0.37 117.35 120.75 2r8x s TYR 122 Ca 0.20 -0.15 -0.09 0.00 -2.44 0.00 0.00 57.07 54.59 2r8x s TYR 122 Cb -0.11 -0.69 0.01 0.00 0.35 0.00 0.00 41.96 41.52 2r8x s TYR 122 CO 0.11 -0.25 0.14 0.08 -1.34 0.00 0.00 175.55 174.30 2r8x s VAL 123 N 1.46 4.33 0.47 3.14 1.01 -0.50 -0.43 120.40 129.87 2r8x s VAL 123 Ca -0.03 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2r8x s VAL 123 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2r8x s VAL 123 CO -0.03 -0.04 0.06 -0.83 0.00 0.00 0.00 175.10 174.27 2r8x s GLY 124 N 1.54 2.89 0.00 4.51 0.00 -0.01 -2.20 107.32 114.05 2r8x s GLY 124 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2r8x s GLY 124 CO 0.05 -2.03 0.00 2.09 0.00 0.00 0.00 173.10 173.20 2r8x n ASP 125 N -1.33 0.00 -4.20 1.64 3.85 -1.26 -2.59 116.55 112.66 2r8x n ASP 125 Ca -0.14 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 53.82 2r8x n ASP 125 Cb 0.66 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.33 2r8x n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2r8x s ASP 126 N 0.00 0.21 0.54 -1.12 -1.08 -1.26 -0.51 116.67 113.45 2r8x s ASP 126 Ca 0.00 -1.37 0.22 0.00 -0.52 0.00 0.00 52.55 50.88 2r8x s ASP 126 Cb 0.00 0.36 1.39 0.00 -1.46 0.00 0.00 42.92 43.21 2r8x s ASP 126 CO 0.00 -0.82 2.09 -0.07 0.52 0.00 0.00 175.17 176.89 2r8x h LEU 127 N 2.64 0.00 -2.24 -1.34 3.38 -1.98 -0.97 115.31 114.79 2r8x h LEU 127 Ca -0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2r8x h LEU 127 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2r8x h LEU 127 CO 0.54 0.00 -0.03 -0.29 0.09 0.00 0.00 178.44 178.75 2r8x h ILE 128 N 0.00 0.19 0.00 1.22 6.09 -2.01 -1.71 117.51 121.29 2r8x h ILE 128 Ca 0.10 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2r8x h ILE 128 Cb 0.43 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.96 2r8x h ILE 128 CO -0.00 0.03 0.00 0.44 -3.07 0.00 0.00 178.15 175.55 2r8x h ASP 129 N 0.00 0.00 -0.42 2.19 3.32 -1.59 -3.39 116.42 116.53 2r8x h ASP 129 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2r8x h ASP 129 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2r8x h ASP 129 CO 0.00 0.00 0.07 -0.25 -1.72 0.00 0.00 179.24 177.34 2r8x h TRP 130 N 0.00 0.74 -1.01 4.55 2.91 -1.42 -2.16 115.95 119.56 2r8x h TRP 130 Ca 0.00 -0.10 0.25 0.00 1.13 0.00 0.00 58.89 60.16 2r8x h TRP 130 Cb 0.92 -0.20 -0.09 0.00 -0.51 0.00 0.00 29.16 29.27 2r8x h TRP 130 CO 0.00 0.72 0.65 -1.35 -1.03 0.00 0.00 178.44 177.42 2r8x h PRO 131 N 0.55 0.44 0.05 2.65 0.11 -1.76 0.14 132.00 134.19 2r8x h PRO 131 Ca 0.13 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 2r8x h PRO 131 Cb 0.37 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.40 2r8x h PRO 131 CO 0.01 0.29 -0.38 0.28 -0.21 0.00 0.00 178.00 177.99 2r8x h VAL 132 N 0.45 1.63 -0.85 3.15 2.07 -1.81 -3.32 116.25 117.57 2r8x h VAL 132 Ca 0.58 -2.34 0.17 0.00 0.82 0.00 0.00 66.70 65.94 2r8x h VAL 132 Cb 1.37 3.18 -0.06 0.00 -1.52 0.00 0.00 31.29 34.26 2r8x h VAL 132 CO -0.30 0.64 0.56 0.24 0.02 0.00 0.00 177.57 178.73 2r8x h MET 133 N -0.64 0.44 -0.02 1.57 2.86 -0.70 -0.57 114.93 117.86 2r8x h MET 133 Ca -0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2r8x h MET 133 Cb 1.26 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2r8x h MET 133 CO 0.07 0.29 0.01 1.49 1.06 0.00 0.00 176.91 179.83 2r8x h GLU 134 N 0.45 0.03 0.00 1.72 4.81 -0.84 -3.14 114.58 117.61 2r8x h GLU 134 Ca 0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2r8x h GLU 134 Cb 0.99 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2r8x h GLU 134 CO -0.16 0.02 -1.81 1.63 -0.73 0.00 0.00 179.01 177.97 2r8x n LYS 135 N -4.53 0.64 -1.98 1.92 5.02 -0.24 -4.99 118.16 114.00 2r8x n LYS 135 Ca -0.03 -0.14 -0.30 0.00 -2.02 0.00 0.00 58.31 55.83 2r8x n LYS 135 Cb 0.09 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2r8x n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2r8x s VAL 136 N -3.49 3.92 0.20 -0.18 -7.23 -1.11 -4.63 120.40 107.88 2r8x s VAL 136 Ca -0.06 0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 60.57 2r8x s VAL 136 Cb 0.13 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.47 2r8x s VAL 136 CO 0.89 -0.77 1.58 1.23 -0.31 0.00 0.00 175.10 177.72 2r8x h GLY 137 N -0.46 0.84 -7.26 2.32 0.00 0.10 -3.41 103.07 95.20 2r8x h GLY 137 Ca -0.45 -0.78 -0.56 0.00 0.00 0.00 0.00 47.33 45.54 2r8x h GLY 137 CO 0.63 0.71 -0.76 -2.27 0.00 0.00 0.00 176.54 174.84 2r8x s LEU 138 N -8.81 1.93 -0.04 3.11 2.96 -0.90 -4.91 118.68 112.03 2r8x s LEU 138 Ca -0.09 -1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 52.35 2r8x s LEU 138 Cb 0.12 -0.82 -0.05 0.00 0.50 0.00 0.00 46.19 45.94 2r8x s LEU 138 CO 0.85 -0.36 0.44 -0.94 -1.32 0.00 0.00 176.35 175.02 2r8x s SER 139 N 1.67 6.78 -0.06 3.68 1.04 -1.26 -1.34 113.70 124.20 2r8x s SER 139 Ca 0.04 0.92 0.01 0.00 0.48 0.00 0.00 55.95 57.41 2r8x s SER 139 Cb -0.17 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.70 2r8x s SER 139 CO -0.17 0.21 -0.09 -0.69 0.98 0.00 0.00 173.24 173.49 2r8x s VAL 140 N -0.49 0.89 -0.11 5.02 1.01 0.43 -1.67 120.40 125.47 2r8x s VAL 140 Ca 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2r8x s VAL 140 Cb -0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2r8x s VAL 140 CO 0.12 0.31 -0.02 0.00 0.00 0.00 0.00 175.10 175.51 2r8x s ALA 141 N 0.88 3.14 0.71 5.51 0.00 -0.73 -0.83 121.76 130.45 2r8x s ALA 141 Ca -0.11 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2r8x s ALA 141 Cb -0.15 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2r8x s ALA 141 CO 0.01 0.45 1.10 0.14 0.00 0.00 0.00 175.76 177.46 2r8x s VAL 142 N -0.43 3.36 0.27 0.00 -7.23 -1.07 -1.67 120.40 113.65 2r8x s VAL 142 Ca 0.07 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 60.75 2r8x s VAL 142 Cb -0.12 -3.05 0.32 0.00 0.56 0.00 0.00 36.38 34.10 2r8x s VAL 142 CO 0.02 -0.50 1.62 0.00 -0.31 0.00 0.00 175.10 175.94 2r8x h ALA 143 N -0.56 1.04 -0.61 1.32 0.00 -1.51 -1.32 119.26 117.62 2r8x h ALA 143 Ca -0.45 0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 2r8x h ALA 143 Cb 1.24 0.43 -0.18 0.00 0.00 0.00 0.00 17.79 19.27 2r8x h ALA 143 CO 0.53 -0.47 0.22 -0.40 0.00 0.00 0.00 179.25 179.13 2r8x n ASP 144 N -5.34 3.12 -4.59 0.00 5.75 -1.26 -5.00 116.55 109.23 2r8x n ASP 144 Ca 0.18 -3.66 -0.29 0.00 -0.01 0.00 0.00 54.79 51.01 2r8x n ASP 144 Cb 0.61 -0.72 0.21 0.00 -1.03 0.00 0.00 41.12 40.19 2r8x n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r8x s ALA 145 N -3.24 0.46 0.23 2.12 0.00 -0.50 -4.92 121.76 115.91 2r8x s ALA 145 Ca 0.50 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.19 2r8x s ALA 145 Cb 0.43 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 20.14 2r8x s ALA 145 CO 0.05 -3.25 1.42 1.58 0.00 0.00 0.00 175.76 175.56 2r8x n HIS 146 N -4.52 2.16 -0.44 0.00 -0.00 0.34 -4.81 115.22 107.95 2r8x n HIS 146 Ca 0.06 0.43 0.38 0.00 0.46 0.00 0.00 57.72 59.04 2r8x n HIS 146 Cb 0.54 -2.46 0.70 0.00 -0.12 0.00 0.00 29.99 28.65 2r8x n HIS 146 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2r8x h PRO 147 N 4.32 0.08 0.00 1.57 0.11 -1.91 0.68 132.00 136.85 2r8x h PRO 147 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2r8x h PRO 147 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2r8x h PRO 147 CO 0.76 0.06 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.21 2r8x h LEU 148 N 0.09 0.00 0.16 2.35 3.38 -1.98 -3.31 115.31 116.00 2r8x h LEU 148 Ca 0.72 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.38 2r8x h LEU 148 Cb 2.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 43.32 2r8x h LEU 148 CO -0.16 0.33 -1.42 0.25 0.09 0.00 0.00 178.44 177.53 2r8x h LEU 149 N 0.00 0.53 -0.52 1.67 5.85 -1.21 -3.40 115.31 118.23 2r8x h LEU 149 Ca -0.00 -0.62 0.10 0.00 0.84 0.00 0.00 57.88 58.20 2r8x h LEU 149 Cb 1.24 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.00 2r8x h LEU 149 CO 0.04 1.49 -0.25 0.40 -0.34 0.00 0.00 178.44 179.79 2r8x h ILE 150 N 0.09 0.29 0.00 4.05 2.04 -1.59 -1.52 117.51 120.87 2r8x h ILE 150 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2r8x h ILE 150 Cb 2.04 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2r8x h ILE 150 CO 0.21 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.71 2r8x n PRO 151 N -5.42 0.14 0.09 2.37 -0.02 -1.26 -2.97 135.00 127.92 2r8x n PRO 151 Ca 0.04 0.37 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 2r8x n PRO 151 Cb 0.33 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 2r8x n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r8x h ARG 152 N 0.00 0.00 -7.12 -0.52 3.08 -1.51 -3.47 114.38 104.84 2r8x h ARG 152 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 2r8x h ARG 152 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2r8x h ARG 152 CO 0.00 0.58 0.36 0.00 -1.07 0.00 0.00 179.97 179.84 2r8x s ALA 153 N -2.87 3.02 0.22 0.04 0.00 -1.16 -4.98 121.76 116.04 2r8x s ALA 153 Ca 0.01 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 2r8x s ALA 153 Cb 0.08 -3.15 0.18 0.00 0.00 0.00 0.00 23.12 20.23 2r8x s ALA 153 CO 0.78 -0.08 1.75 -0.44 0.00 0.00 0.00 175.76 177.78 2r8x h ASP 154 N 1.46 1.04 -3.79 0.00 3.45 -1.67 -3.44 116.42 113.47 2r8x h ASP 154 Ca -0.48 -0.20 -0.35 0.00 0.43 0.00 0.00 57.03 56.43 2r8x h ASP 154 Cb 1.19 -0.27 -0.30 0.00 -0.56 0.00 0.00 39.33 39.38 2r8x h ASP 154 CO 0.61 0.98 -0.76 -0.47 -1.57 0.00 0.00 179.24 178.03 2r8x s TYR 155 N -5.35 0.53 -0.22 4.55 5.04 -0.87 -4.93 117.35 116.09 2r8x s TYR 155 Ca -0.12 -0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 54.37 2r8x s TYR 155 Cb 0.15 -0.39 -0.00 0.00 0.35 0.00 0.00 41.96 42.06 2r8x s TYR 155 CO 0.84 -0.05 -0.05 0.08 -1.34 0.00 0.00 175.55 175.02 2r8x s VAL 156 N 0.18 3.27 0.63 3.14 1.01 -1.26 -1.78 120.40 125.59 2r8x s VAL 156 Ca -0.02 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2r8x s VAL 156 Cb -0.06 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2r8x s VAL 156 CO -0.00 0.41 1.21 0.42 0.00 0.00 0.00 175.10 177.14 2r8x s THR 157 N 1.46 2.54 0.15 3.92 -4.23 -0.67 -4.90 115.64 113.91 2r8x s THR 157 Ca 0.05 0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 2r8x s THR 157 Cb -0.14 -3.04 -0.18 0.00 1.34 0.00 0.00 72.50 70.48 2r8x s THR 157 CO -0.04 -0.09 1.34 0.03 -0.54 0.00 0.00 174.62 175.31 2r8x h ARG 158 N 0.54 0.04 -5.93 3.99 -0.00 -1.92 -3.12 114.38 107.99 2r8x h ARG 158 Ca -0.50 -0.06 -0.62 0.00 -0.50 0.00 0.00 59.98 58.30 2r8x h ARG 158 Cb 1.30 0.02 -0.06 0.00 0.00 0.00 0.00 29.97 31.23 2r8x h ARG 158 CO 0.54 0.95 -0.29 0.42 0.00 0.00 0.00 179.97 181.59 2r8x s ILE 159 N -2.91 5.17 0.70 2.04 -1.09 -1.26 -4.78 121.20 119.07 2r8x s ILE 159 Ca -0.00 0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 58.91 2r8x s ILE 159 Cb 0.10 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2r8x s ILE 159 CO 0.82 0.54 1.06 0.00 -1.23 0.00 0.00 174.94 176.13 2r8x s ALA 160 N -1.12 2.70 0.25 9.38 0.00 -1.26 -3.22 121.76 128.48 2r8x s ALA 160 Ca 0.23 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.87 2r8x s ALA 160 Cb -0.15 -3.14 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2r8x s ALA 160 CO 0.12 -1.21 1.36 0.41 0.00 0.00 0.00 175.76 176.44 2r8x n GLY 161 N -2.19 0.65 2.90 0.00 0.00 -1.25 -2.15 105.19 103.14 2r8x n GLY 161 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2r8x n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8x n GLY 162 N 1.93 0.88 0.00 -0.02 0.00 -0.75 -3.86 105.19 103.36 2r8x n GLY 162 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2r8x n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8x n ARG 163 N -2.12 0.25 0.00 1.61 5.12 -0.92 -4.46 116.66 116.15 2r8x n ARG 163 Ca 0.00 -0.74 0.00 0.00 -1.93 0.00 0.00 57.85 55.18 2r8x n ARG 163 Cb 0.00 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 2r8x n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2r8x n GLY 164 N -0.14 1.53 0.33 -0.13 0.00 -1.25 -4.86 105.19 100.68 2r8x n GLY 164 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2r8x n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8x h ALA 165 N 0.00 1.02 -0.46 4.61 0.00 -1.74 -1.34 119.26 121.36 2r8x h ALA 165 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2r8x h ALA 165 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2r8x h ALA 165 CO 0.00 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.23 2r8x h VAL 166 N 1.13 1.25 -0.49 0.00 2.07 -1.89 -2.25 116.25 116.07 2r8x h VAL 166 Ca 0.27 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2r8x h VAL 166 Cb 0.18 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2r8x h VAL 166 CO -0.03 0.32 0.19 -0.09 0.02 0.00 0.00 177.57 177.98 2r8x h ARG 167 N 0.62 0.37 -0.53 1.57 9.65 -1.76 -0.36 114.38 123.94 2r8x h ARG 167 Ca 0.14 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.08 2r8x h ARG 167 Cb 0.38 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.81 2r8x h ARG 167 CO 0.01 0.24 0.14 1.49 2.80 0.00 0.00 179.97 184.65 2r8x h GLU 168 N 0.38 0.28 -0.34 0.20 4.81 -1.01 0.27 114.58 119.17 2r8x h GLU 168 Ca 0.23 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2r8x h GLU 168 Cb 0.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2r8x h GLU 168 CO -0.22 0.19 0.08 0.28 -0.73 0.00 0.00 179.01 178.61 2r8x h VAL 169 N 0.29 1.22 -0.10 0.32 2.07 -0.97 -1.22 116.25 117.86 2r8x h VAL 169 Ca 0.27 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2r8x h VAL 169 Cb 0.34 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2r8x h VAL 169 CO -0.32 0.25 -0.06 0.00 0.02 0.00 0.00 177.57 177.47 2r8x h ASP 171 N -0.06 0.43 -0.33 0.00 3.45 -0.37 -1.12 116.42 118.42 2r8x h ASP 171 Ca 0.06 0.10 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2r8x h ASP 171 Cb 0.15 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 2r8x h ASP 171 CO -0.14 0.17 0.09 0.25 -1.57 0.00 0.00 179.24 178.04 2r8x h LEU 172 N 0.55 0.50 -0.57 1.55 5.85 -0.62 -1.01 115.31 121.55 2r8x h LEU 172 Ca 0.45 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2r8x h LEU 172 Cb 0.66 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2r8x h LEU 172 CO -0.38 0.60 0.25 -0.07 -0.34 0.00 0.00 178.44 178.50 2r8x h LEU 173 N 0.38 0.76 -0.34 2.25 3.38 -0.66 -1.11 115.31 119.98 2r8x h LEU 173 Ca 0.11 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2r8x h LEU 173 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2r8x h LEU 173 CO 0.00 0.70 -0.05 -0.07 0.09 0.00 0.00 178.44 179.11 2r8x h LEU 174 N 0.78 0.62 -0.39 1.67 3.38 -1.16 -2.43 115.31 117.78 2r8x h LEU 174 Ca 0.19 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2r8x h LEU 174 Cb 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2r8x h LEU 174 CO -0.02 0.82 0.20 0.25 0.09 0.00 0.00 178.44 179.78 2r8x h LEU 175 N 0.42 0.29 -2.20 1.67 5.85 -1.07 0.13 115.31 120.40 2r8x h LEU 175 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2r8x h LEU 175 Cb 0.53 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2r8x h LEU 175 CO 0.03 0.21 -0.03 0.00 -0.34 0.00 0.00 178.44 178.31 2r8x h ALA 176 N 1.20 1.65 -0.49 1.25 0.00 -1.08 -2.66 119.26 119.13 2r8x h ALA 176 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2r8x h ALA 176 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2r8x h ALA 176 CO -0.11 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.21 2r8x n GLN 177 N -4.06 2.71 -2.44 0.00 6.02 -0.83 -4.55 117.38 114.23 2r8x n GLN 177 Ca -0.03 -2.27 -0.14 0.00 -0.01 0.00 0.00 57.00 54.55 2r8x n GLN 177 Cb 0.12 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2r8x n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r8x n GLY 178 N 1.01 -0.19 0.10 1.08 0.00 -0.74 -4.92 105.19 101.53 2r8x n GLY 178 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.95 2r8x n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r8x n LYS 179 N -2.57 0.41 -0.05 1.61 5.02 0.39 -4.82 118.16 118.15 2r8x n LYS 179 Ca -0.14 -0.57 -0.11 0.00 -2.02 0.00 0.00 58.31 55.47 2r8x n LYS 179 Cb 0.61 -0.99 -0.05 0.00 -0.02 0.00 0.00 35.03 34.58 2r8x n LYS 179 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2r8x h LEU 180 N 0.47 0.25 -0.36 -0.35 5.85 -1.85 -2.53 115.31 116.79 2r8x h LEU 180 Ca 0.00 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2r8x h LEU 180 Cb 0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2r8x h LEU 180 CO 0.00 0.41 0.08 0.44 -0.34 0.00 0.00 178.44 179.03 2r8x h ASP 181 N 0.07 0.56 0.25 1.25 3.32 -1.92 -3.13 116.42 116.82 2r8x h ASP 181 Ca 0.05 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2r8x h ASP 181 Cb 0.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2r8x h ASP 181 CO 0.00 0.66 -0.13 -0.62 -1.72 0.00 0.00 179.24 177.43 2r8x n GLU 182 N -4.59 0.89 -2.10 3.56 -0.58 -1.23 -4.91 120.64 111.68 2r8x n GLU 182 Ca -0.01 -0.41 -0.41 0.00 -0.42 0.00 0.00 57.16 55.91 2r8x n GLU 182 Cb 0.21 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 2r8x n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r8x s ALA 183 N -2.39 3.58 -0.07 0.62 0.00 -0.95 -5.03 121.76 117.52 2r8x s ALA 183 Ca 0.30 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.53 2r8x s ALA 183 Cb 0.20 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2r8x s ALA 183 CO 0.46 -0.65 -0.20 0.15 0.00 0.00 0.00 175.76 175.52 2r8x s LYS 184 N -0.39 2.33 0.27 0.00 -0.14 -1.26 -5.05 119.74 115.50 2r8x s LYS 184 Ca 0.57 -0.73 0.04 0.00 -1.36 0.00 0.00 55.97 54.50 2r8x s LYS 184 Cb -0.40 -1.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.85 2r8x s LYS 184 CO 0.42 0.22 0.15 0.41 -0.76 0.00 0.00 175.35 175.79 2r8x n GLY 185 N 3.33 3.36 3.00 -3.33 0.00 -1.26 -4.11 105.19 106.18 2r8x n GLY 185 Ca -0.19 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 2r8x n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r8x s GLN 186 N -3.06 1.77 -1.07 1.61 1.11 -1.26 -5.02 119.66 113.73 2r8x s GLN 186 Ca 0.21 -0.41 -0.22 0.00 0.01 0.00 0.00 55.36 54.95 2r8x s GLN 186 Cb 0.01 -1.55 -0.00 0.00 -1.01 0.00 0.00 33.01 30.46 2r8x s GLN 186 CO 0.15 -0.06 1.75 0.45 0.01 0.00 0.00 175.29 177.59 2r8x s SER 187 N 0.98 5.86 0.00 5.90 0.15 -1.26 -3.25 113.70 122.08 2r8x s SER 187 Ca -0.08 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.11 2r8x s SER 187 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2r8x s SER 187 CO -0.00 -2.14 0.16 2.30 1.20 0.00 0.00 173.24 174.76