#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8fab s LEU 4 N 0.00 4.21 -0.18 -4.62 1.43 -1.26 -4.58 118.68 113.67 8fab s LEU 4 Ca 0.00 1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 54.41 8fab s LEU 4 Cb 0.00 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 8fab s LEU 4 CO 0.00 -0.46 0.13 -0.89 0.23 0.00 0.00 176.35 175.36 8fab s THR 5 N 2.20 5.43 0.05 5.49 2.01 0.36 -3.89 115.64 127.31 8fab s THR 5 Ca 0.45 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.68 8fab s THR 5 Cb -0.17 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 8fab s THR 5 CO 0.15 0.49 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.34 8fab s GLN 6 N -0.04 0.78 0.39 4.92 -0.21 -1.26 -0.22 119.66 124.02 8fab s GLN 6 Ca 0.10 -0.84 -0.27 0.00 0.02 0.00 0.00 55.36 54.37 8fab s GLN 6 Cb -0.11 -0.74 -0.09 0.00 1.00 0.00 0.00 33.01 33.06 8fab s GLN 6 CO -0.00 0.17 1.36 -1.25 -2.12 0.00 0.00 175.29 173.44 8fab s PRO 7 N -1.49 4.01 0.44 2.91 0.04 -1.26 -4.86 135.00 134.80 8fab s PRO 7 Ca -0.02 2.28 0.18 0.00 0.04 0.00 0.00 61.00 63.48 8fab s PRO 7 Cb -0.09 -2.83 1.04 0.00 0.04 0.00 0.00 34.50 32.65 8fab s PRO 7 CO 0.02 -0.50 1.96 -1.00 0.04 0.00 0.00 177.00 177.51 8fab h PRO 8 N 2.80 0.00 -2.69 0.56 0.13 -1.97 -3.36 132.00 127.47 8fab h PRO 8 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 8fab h PRO 8 Cb 1.24 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.19 8fab h PRO 8 CO 0.63 0.22 -0.08 -1.54 -0.23 0.00 0.00 178.00 177.00 8fab s SER 9 N -6.73 -0.37 -0.01 1.44 1.04 -1.26 -1.50 113.70 106.30 8fab s SER 9 Ca -0.03 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.68 8fab s SER 9 Cb 0.14 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.69 8fab s SER 9 CO 0.67 -0.55 -0.01 -0.69 0.98 0.00 0.00 173.24 173.65 8fab s VAL 10 N -1.53 0.14 -0.03 5.02 1.01 -0.65 -4.92 120.40 119.43 8fab s VAL 10 Ca -0.11 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.90 8fab s VAL 10 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.19 8fab s VAL 10 CO 0.05 0.08 -0.11 -0.44 0.00 0.00 0.00 175.10 174.67 8fab s SER 11 N 0.39 1.52 0.10 3.32 0.01 -1.26 -1.58 113.70 116.19 8fab s SER 11 Ca -0.04 -0.24 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 8fab s SER 11 Cb -0.06 -0.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 8fab s SER 11 CO -0.01 0.08 0.15 0.68 0.41 0.00 0.00 173.24 174.56 8fab s VAL 12 N 0.21 0.14 0.36 3.43 -7.23 -0.62 -4.96 120.40 111.73 8fab s VAL 12 Ca -0.04 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 8fab s VAL 12 Cb -0.10 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 8fab s VAL 12 CO 0.01 -0.65 0.60 -0.44 -0.31 0.00 0.00 175.10 174.31 8fab s SER 13 N -2.90 6.33 0.15 4.85 0.01 -1.26 0.01 113.70 120.88 8fab s SER 13 Ca 0.09 0.61 -0.34 0.00 1.31 0.00 0.00 55.95 57.62 8fab s SER 13 Cb 0.05 -2.10 -0.16 0.00 0.21 0.00 0.00 66.02 64.02 8fab s SER 13 CO -0.08 -0.32 1.14 -2.65 0.41 0.00 0.00 173.24 171.74 8fab n PRO 14 N -1.66 0.99 0.00 12.44 -0.02 -1.26 -1.86 135.00 143.63 8fab n PRO 14 Ca -0.03 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 8fab n PRO 14 Cb 0.55 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 8fab n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 8fab n GLY 15 N 2.04 1.72 3.92 -1.23 0.00 0.22 -4.94 105.19 106.92 8fab n GLY 15 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 8fab n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 8fab s GLN 16 N -0.59 2.41 -0.12 1.61 -0.21 -0.78 -3.99 119.66 118.00 8fab s GLN 16 Ca 0.00 -0.13 -0.24 0.00 0.02 0.00 0.00 55.36 55.01 8fab s GLN 16 Cb 0.00 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 8fab s GLN 16 CO 0.00 -1.11 0.76 0.99 -2.12 0.00 0.00 175.29 173.81 8fab s THR 17 N -3.20 4.97 -0.12 -0.19 2.01 -1.26 -0.75 115.64 117.10 8fab s THR 17 Ca 0.58 1.52 -0.06 0.00 0.31 0.00 0.00 61.69 64.04 8fab s THR 17 Cb -0.11 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 8fab s THR 17 CO 0.45 0.14 0.12 0.00 -0.69 0.00 0.00 174.62 174.64 8fab s ALA 18 N 1.49 3.80 -0.07 7.40 0.00 -0.54 -4.96 121.76 128.88 8fab s ALA 18 Ca 0.38 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.70 8fab s ALA 18 Cb -0.17 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.05 8fab s ALA 18 CO 0.15 0.60 -0.15 1.03 0.00 0.00 0.00 175.76 177.40 8fab s ARG 19 N -0.97 2.03 -0.19 0.00 0.52 -1.26 -1.46 118.95 117.62 8fab s ARG 19 Ca 0.15 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 8fab s ARG 19 Cb -0.12 -1.63 0.04 0.00 0.52 0.00 0.00 34.95 33.76 8fab s ARG 19 CO 0.04 0.06 -0.12 0.42 0.02 0.00 0.00 175.30 175.72 8fab s ILE 20 N 0.60 1.69 0.34 1.52 1.01 -0.14 -4.97 121.20 121.25 8fab s ILE 20 Ca -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.50 8fab s ILE 20 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 8fab s ILE 20 CO 0.05 0.23 0.57 0.42 0.00 0.00 0.00 174.94 176.21 8fab s THR 21 N 1.39 5.06 -0.07 2.92 -4.23 -1.26 -0.90 115.64 118.55 8fab s THR 21 Ca -0.00 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 8fab s THR 21 Cb -0.16 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.90 8fab s THR 21 CO -0.09 -0.51 0.14 0.00 -0.54 0.00 0.00 174.62 173.63 8fab s SER 23 N 1.53 1.48 -0.29 0.00 0.01 0.69 -0.43 113.70 116.69 8fab s SER 23 Ca -0.05 -0.38 -0.25 0.00 1.31 0.00 0.00 55.95 56.59 8fab s SER 23 Cb -0.12 -0.11 0.16 0.00 0.21 0.00 0.00 66.02 66.17 8fab s SER 23 CO -0.06 0.05 1.27 0.00 0.41 0.00 0.00 173.24 174.91 8fab s ALA 24 N -0.69 -2.14 0.45 1.44 0.00 -0.84 -0.48 121.76 119.50 8fab s ALA 24 Ca 0.02 1.77 0.14 0.00 0.00 0.00 0.00 51.96 53.89 8fab s ALA 24 Cb -0.07 -1.65 1.06 0.00 0.00 0.00 0.00 23.12 22.47 8fab s ALA 24 CO 0.01 -0.16 2.02 -0.91 0.00 0.00 0.00 175.76 176.71 8fab h ASN 25 N 3.66 0.30 1.36 0.00 4.21 -1.90 -2.09 115.58 121.13 8fab h ASN 25 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 8fab h ASN 25 Cb 1.19 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 8fab h ASN 25 CO 0.15 0.19 0.00 0.00 -1.29 0.00 0.00 177.43 176.49 8fab h ALA 26 N 1.75 1.00 -0.28 -0.83 0.00 -1.97 -3.38 119.26 115.55 8fab h ALA 26 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 8fab h ALA 26 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 8fab h ALA 26 CO -0.05 0.00 0.16 1.25 0.00 0.00 0.00 179.25 180.61 8fab h LEU 27 N 0.00 0.33 -1.96 0.00 5.85 -1.70 -2.25 115.31 115.57 8fab h LEU 27 Ca 0.00 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.83 8fab h LEU 27 Cb 0.68 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 8fab h LEU 27 CO 0.00 0.26 0.46 1.55 -0.34 0.00 0.00 178.44 180.37 8fab h PRO 28 N 0.38 0.00 -0.60 5.25 0.13 -1.75 -1.74 132.00 133.68 8fab h PRO 28 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 8fab h PRO 28 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 8fab h PRO 28 CO -0.02 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.02 8fab n ASN 29 N -3.76 5.52 -3.71 1.44 6.94 -0.85 -4.94 115.26 115.90 8fab n ASN 29 Ca 0.08 -2.81 -0.14 0.00 -0.02 0.00 0.00 54.58 51.68 8fab n ASN 29 Cb 0.65 -0.66 -0.08 0.00 -2.36 0.00 0.00 39.78 37.33 8fab n ASN 29 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 8fab s GLN 30 N -2.54 0.74 0.33 -3.83 -2.07 -0.65 -5.12 119.66 106.52 8fab s GLN 30 Ca 0.54 -0.10 -0.28 0.00 -1.82 0.00 0.00 55.36 53.70 8fab s GLN 30 Cb 0.40 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.55 8fab s GLN 30 CO 0.18 -0.21 1.22 0.71 -1.32 0.00 0.00 175.29 175.87 8fab s TYR 31 N -1.29 3.21 0.09 9.60 2.02 -1.26 -4.91 117.35 124.81 8fab s TYR 31 Ca -0.13 1.53 0.04 0.00 -0.37 0.00 0.00 57.07 58.14 8fab s TYR 31 Cb -0.04 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 37.98 8fab s TYR 31 CO 0.05 -1.36 0.02 0.00 -1.57 0.00 0.00 175.55 172.70 8fab s ALA 32 N -1.20 3.36 0.06 3.71 0.00 -1.26 -4.49 121.76 121.94 8fab s ALA 32 Ca 0.49 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.42 8fab s ALA 32 Cb -0.36 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 8fab s ALA 32 CO 0.46 0.71 -0.16 0.71 0.00 0.00 0.00 175.76 177.49 8fab s TYR 33 N -1.33 1.39 -0.02 0.00 1.51 0.23 -0.93 117.35 118.20 8fab s TYR 33 Ca 0.27 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 8fab s TYR 33 Cb -0.12 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 8fab s TYR 33 CO 0.19 0.08 -0.23 -1.58 -1.11 0.00 0.00 175.55 172.90 8fab s TRP 34 N -1.01 2.08 0.04 2.71 0.52 -0.60 -0.64 118.94 122.04 8fab s TRP 34 Ca 0.02 -0.41 0.06 0.00 0.02 0.00 0.00 56.10 55.78 8fab s TRP 34 Cb -0.09 -1.34 -0.02 0.00 -1.15 0.00 0.00 33.47 30.87 8fab s TRP 34 CO 0.02 -0.05 -0.16 0.71 0.02 0.00 0.00 176.95 177.49 8fab s TYR 35 N -0.50 1.43 -0.12 -1.98 1.51 -0.14 -1.09 117.35 116.46 8fab s TYR 35 Ca 0.08 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 8fab s TYR 35 Cb -0.09 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 8fab s TYR 35 CO -0.01 0.05 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.25 8fab s GLN 36 N -1.09 3.26 -0.10 -0.62 0.74 -0.49 -0.94 119.66 120.43 8fab s GLN 36 Ca 0.04 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 8fab s GLN 36 Cb -0.08 -2.68 0.04 0.00 1.10 0.00 0.00 33.01 31.39 8fab s GLN 36 CO 0.01 0.35 0.02 -1.14 -0.55 0.00 0.00 175.29 173.98 8fab s GLN 37 N 0.02 0.54 0.19 1.67 0.74 0.22 -0.95 119.66 122.09 8fab s GLN 37 Ca -0.02 0.01 -0.04 0.00 0.05 0.00 0.00 55.36 55.36 8fab s GLN 37 Cb -0.14 -1.22 -0.05 0.00 1.10 0.00 0.00 33.01 32.69 8fab s GLN 37 CO 0.04 -0.39 0.43 0.15 -0.55 0.00 0.00 175.29 174.96 8fab s LYS 38 N 1.97 3.61 0.33 1.67 1.02 -1.26 -1.16 119.74 125.92 8fab s LYS 38 Ca 0.04 -0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 8fab s LYS 38 Cb -0.13 -2.79 -0.11 0.00 -0.52 0.00 0.00 37.83 34.27 8fab s LYS 38 CO -0.06 0.39 1.56 -2.14 -0.92 0.00 0.00 175.35 174.17 8fab s PRO 39 N -3.02 4.10 0.00 -1.68 0.02 -1.26 -1.03 135.00 132.13 8fab s PRO 39 Ca 0.41 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.03 8fab s PRO 39 Cb -0.11 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.41 8fab s PRO 39 CO 0.26 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 8fab n GLY 40 N 1.37 2.84 3.94 0.52 0.00 -1.26 -4.99 105.19 107.60 8fab n GLY 40 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 8fab n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 8fab s ARG 41 N -0.11 3.02 0.46 1.61 0.52 -0.20 -5.11 118.95 119.14 8fab s ARG 41 Ca 0.00 -1.08 -0.22 0.00 -0.52 0.00 0.00 55.73 53.92 8fab s ARG 41 Cb 0.00 -2.71 -0.08 0.00 0.52 0.00 0.00 34.95 32.68 8fab s ARG 41 CO 0.00 0.13 1.06 0.00 0.02 0.00 0.00 175.30 176.51 8fab s ALA 42 N -2.19 2.94 0.69 2.13 0.00 -1.26 -4.53 121.76 119.53 8fab s ALA 42 Ca 0.42 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 8fab s ALA 42 Cb -0.08 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.78 8fab s ALA 42 CO 0.29 -0.33 1.15 -2.14 0.00 0.00 0.00 175.76 174.73 8fab s PRO 43 N -2.96 2.49 -0.03 0.00 0.02 -1.26 -4.65 135.00 128.61 8fab s PRO 43 Ca 0.64 1.54 0.05 0.00 0.02 0.00 0.00 61.00 63.25 8fab s PRO 43 Cb -0.19 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 8fab s PRO 43 CO 0.24 -1.52 -0.18 0.08 -0.33 0.00 0.00 177.00 175.29 8fab s VAL 44 N -2.20 1.50 -0.12 3.83 1.01 -0.13 -4.95 120.40 119.34 8fab s VAL 44 Ca 0.70 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 8fab s VAL 44 Cb -0.24 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 8fab s VAL 44 CO 0.43 0.43 1.06 -0.32 0.00 0.00 0.00 175.10 176.70 8fab s MET 45 N -0.14 4.38 -0.04 2.72 1.75 -1.26 -1.40 119.30 125.31 8fab s MET 45 Ca -0.00 1.45 0.13 0.00 -1.25 0.00 0.00 55.69 56.02 8fab s MET 45 Cb -0.10 -3.57 -0.20 0.00 2.84 0.00 0.00 34.83 33.80 8fab s MET 45 CO 0.01 -0.40 0.24 1.33 -0.65 0.00 0.00 175.02 175.54 8fab n VAL 46 N 4.72 0.21 -3.83 10.11 0.24 -0.25 -4.79 118.33 124.75 8fab n VAL 46 Ca 0.10 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 8fab n VAL 46 Cb 0.48 -0.02 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 8fab n VAL 46 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 8fab s ILE 47 N -2.79 -0.01 0.09 1.34 -1.09 -1.11 -4.27 121.20 113.36 8fab s ILE 47 Ca -0.05 0.05 0.07 0.00 -2.23 0.00 0.00 60.65 58.49 8fab s ILE 47 Cb 0.07 -0.11 -0.03 0.00 -1.58 0.00 0.00 42.46 40.81 8fab s ILE 47 CO 0.55 0.02 -0.17 -0.72 -1.23 0.00 0.00 174.94 173.39 8fab s TYR 48 N 0.32 1.52 -1.19 3.97 1.13 -0.01 -1.55 117.35 121.54 8fab s TYR 48 Ca -0.02 -0.45 -0.16 0.00 -1.41 0.00 0.00 57.07 55.03 8fab s TYR 48 Cb -0.04 -0.83 -0.01 0.00 -1.10 0.00 0.00 41.96 39.98 8fab s TYR 48 CO -0.01 0.14 0.73 1.63 -2.51 0.00 0.00 175.55 175.54 8fab n LYS 49 N 1.09 -1.87 0.00 -3.49 5.02 -1.08 -1.41 118.16 116.41 8fab n LYS 49 Ca -0.20 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 8fab n LYS 49 Cb 0.54 -4.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 8fab n LYS 49 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 8fab n ASP 50 N -2.77 0.00 0.00 4.39 8.00 -0.11 -4.12 116.55 121.95 8fab n ASP 50 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 8fab n ASP 50 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 8fab n ASP 50 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 8fab n THR 51 N 0.00 0.00 -3.46 -3.53 -2.24 -1.20 -4.08 114.28 99.77 8fab n THR 51 Ca 0.00 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 8fab n THR 51 Cb 0.00 1.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 8fab n THR 51 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 8fab s GLN 52 N -0.06 4.06 -0.20 -0.78 -1.52 -0.50 -4.61 119.66 116.05 8fab s GLN 52 Ca 0.00 0.38 -0.13 0.00 -1.95 0.00 0.00 55.36 53.67 8fab s GLN 52 Cb 0.00 -3.30 -0.05 0.00 -0.22 0.00 0.00 33.01 29.44 8fab s GLN 52 CO 0.00 0.50 0.25 0.50 -0.25 0.00 0.00 175.29 176.29 8fab s ARG 53 N -0.46 4.18 0.88 2.91 3.52 -1.26 -0.83 118.95 127.88 8fab s ARG 53 Ca 0.23 -0.04 -0.11 0.00 -0.13 0.00 0.00 55.73 55.68 8fab s ARG 53 Cb -0.16 -3.48 0.13 0.00 -1.56 0.00 0.00 34.95 29.88 8fab s ARG 53 CO 0.11 0.15 1.17 -2.14 -0.81 0.00 0.00 175.30 173.78 8fab s PRO 54 N 0.77 1.21 0.29 5.12 0.02 -1.26 -4.97 135.00 136.17 8fab s PRO 54 Ca 0.13 1.63 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 8fab s PRO 54 Cb -0.13 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 8fab s PRO 54 CO 0.04 -2.51 1.41 -1.12 -0.33 0.00 0.00 177.00 174.49 8fab s SER 55 N -2.48 6.65 0.00 2.53 0.01 -1.26 -2.42 113.70 116.72 8fab s SER 55 Ca 0.69 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.68 8fab s SER 55 Cb -0.25 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.34 8fab s SER 55 CO 0.55 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 174.14 8fab n GLY 56 N 1.57 1.18 3.76 3.44 0.00 -1.26 -5.06 105.19 108.82 8fab n GLY 56 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 8fab n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8fab s ILE 57 N -2.29 4.84 0.35 -0.61 -1.09 -1.02 -5.01 121.20 116.38 8fab s ILE 57 Ca 0.00 1.37 -0.27 0.00 -2.23 0.00 0.00 60.65 59.52 8fab s ILE 57 Cb 0.00 -3.99 -0.12 0.00 -1.58 0.00 0.00 42.46 36.77 8fab s ILE 57 CO 0.00 0.40 1.14 -2.65 -1.23 0.00 0.00 174.94 172.60 8fab n PRO 58 N 2.73 1.70 0.24 2.79 -0.02 -1.26 -4.89 135.00 136.28 8fab n PRO 58 Ca -0.05 0.60 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 8fab n PRO 58 Cb 0.51 -2.12 0.87 0.00 -0.02 0.00 0.00 33.50 32.74 8fab n PRO 58 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 8fab h GLN 59 N 2.11 0.00 0.00 -0.52 1.08 -1.99 -2.19 115.11 113.60 8fab h GLN 59 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 8fab h GLN 59 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 8fab h GLN 59 CO 0.60 0.00 0.00 2.89 -0.95 0.00 0.00 178.83 181.37 8fab n ARG 60 N -3.66 0.06 -3.30 1.46 1.85 -1.26 -4.65 116.66 107.16 8fab n ARG 60 Ca 0.01 0.36 -0.38 0.00 -1.00 0.00 0.00 57.85 56.83 8fab n ARG 60 Cb 0.29 -1.63 -0.06 0.00 -1.05 0.00 0.00 32.46 30.01 8fab n ARG 60 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 8fab s PHE 61 N -3.12 3.62 0.22 2.89 0.40 -0.83 -1.26 117.98 119.90 8fab s PHE 61 Ca 0.05 1.04 -0.13 0.00 -0.60 0.00 0.00 56.93 57.29 8fab s PHE 61 Cb 0.08 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 41.07 8fab s PHE 61 CO 0.25 0.32 0.44 -1.54 0.70 0.00 0.00 175.22 175.40 8fab s SER 62 N -0.00 -0.09 0.03 1.36 1.04 -0.37 -4.97 113.70 110.69 8fab s SER 62 Ca 0.28 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 8fab s SER 62 Cb -0.17 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 8fab s SER 62 CO 0.14 -1.06 0.04 -0.55 0.98 0.00 0.00 173.24 172.78 8fab s SER 63 N -2.98 0.25 0.03 7.02 0.15 -1.26 -0.89 113.70 116.02 8fab s SER 63 Ca 0.19 -0.60 -0.17 0.00 0.70 0.00 0.00 55.95 56.06 8fab s SER 63 Cb 0.00 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 8fab s SER 63 CO 0.04 -0.46 0.39 -0.94 1.20 0.00 0.00 173.24 173.47 8fab s SER 64 N -2.05 -0.26 -0.06 5.45 1.04 -0.87 -4.55 113.70 112.40 8fab s SER 64 Ca -0.06 -0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 8fab s SER 64 Cb -0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 8fab s SER 64 CO -0.04 -0.63 0.01 -0.89 0.98 0.00 0.00 173.24 172.67 8fab s THR 65 N -2.31 4.30 -0.32 2.02 2.01 -1.26 -1.39 115.64 118.69 8fab s THR 65 Ca -0.06 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.61 8fab s THR 65 Cb -0.01 -2.84 0.14 0.00 0.01 0.00 0.00 72.50 69.80 8fab s THR 65 CO -0.01 0.54 0.32 -0.55 -0.69 0.00 0.00 174.62 174.23 8fab s SER 66 N -1.08 1.49 0.90 3.53 0.15 -0.10 -5.01 113.70 113.57 8fab s SER 66 Ca 0.15 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.75 8fab s SER 66 Cb -0.11 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 8fab s SER 66 CO 0.05 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.75 8fab n GLY 67 N 4.93 1.65 0.62 9.45 0.00 -1.26 -2.24 105.19 118.34 8fab n GLY 67 Ca 0.03 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.79 8fab n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 8fab n THR 68 N 0.00 1.34 -4.94 2.61 -2.24 -1.26 -3.96 114.28 105.83 8fab n THR 68 Ca 0.00 -1.25 -0.27 0.00 -2.27 0.00 0.00 64.05 60.26 8fab n THR 68 Cb 0.00 0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.36 8fab n THR 68 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 8fab s THR 69 N -1.50 1.59 -0.10 4.28 2.01 -0.95 -1.99 115.64 118.98 8fab s THR 69 Ca 0.26 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 8fab s THR 69 Cb 0.17 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 8fab s THR 69 CO 0.12 0.45 -0.09 0.54 -0.69 0.00 0.00 174.62 174.96 8fab s VAL 70 N 0.04 3.51 -0.12 3.82 0.11 0.43 -0.93 120.40 127.27 8fab s VAL 70 Ca -0.05 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 8fab s VAL 70 Cb -0.13 -2.46 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 8fab s VAL 70 CO 0.03 0.55 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.27 8fab s THR 71 N -0.20 2.48 -0.17 5.04 2.01 -0.49 -0.43 115.64 123.88 8fab s THR 71 Ca 0.02 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 8fab s THR 71 Cb -0.13 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 8fab s THR 71 CO 0.03 0.54 0.42 -0.22 -0.69 0.00 0.00 174.62 174.70 8fab s LEU 72 N 0.38 4.20 -0.08 4.42 2.96 -0.08 -2.04 118.68 128.43 8fab s LEU 72 Ca -0.15 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 8fab s LEU 72 Cb -0.17 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 8fab s LEU 72 CO 0.07 -0.04 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.95 8fab s THR 73 N 1.06 2.34 -0.29 3.68 2.01 -0.07 -0.97 115.64 123.41 8fab s THR 73 Ca 0.21 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.28 8fab s THR 73 Cb -0.15 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.53 8fab s THR 73 CO 0.08 0.56 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.90 8fab s ILE 74 N 0.03 2.53 -0.56 1.82 1.01 -0.53 -1.24 121.20 124.26 8fab s ILE 74 Ca -0.08 -1.61 -0.24 0.00 0.00 0.00 0.00 60.65 58.73 8fab s ILE 74 Cb -0.15 -2.51 0.05 0.00 0.01 0.00 0.00 42.46 39.85 8fab s ILE 74 CO 0.05 -0.12 0.92 -0.44 0.00 0.00 0.00 174.94 175.35 8fab s SER 75 N 1.17 6.31 0.00 3.58 0.01 -0.39 -1.46 113.70 122.92 8fab s SER 75 Ca -0.06 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.74 8fab s SER 75 Cb -0.20 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.61 8fab s SER 75 CO -0.04 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.00 8fab n GLY 76 N 5.14 0.87 3.72 3.44 0.00 -1.02 -4.78 105.19 112.56 8fab n GLY 76 Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 8fab n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 8fab n VAL 77 N -0.55 2.27 -4.33 1.61 0.31 0.07 -4.62 118.33 113.09 8fab n VAL 77 Ca 0.00 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.57 8fab n VAL 77 Cb 0.19 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 8fab n VAL 77 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 8fab s GLN 78 N -2.09 1.95 0.34 5.55 -1.52 -1.26 -0.61 119.66 122.02 8fab s GLN 78 Ca 0.57 -1.38 0.10 0.00 -1.95 0.00 0.00 55.36 52.70 8fab s GLN 78 Cb -0.52 -2.07 0.85 0.00 -0.22 0.00 0.00 33.01 31.05 8fab s GLN 78 CO 0.61 0.41 1.80 0.00 -0.25 0.00 0.00 175.29 177.86 8fab h ALA 79 N 2.78 1.85 0.00 6.09 0.00 -1.96 -1.35 119.26 126.66 8fab h ALA 79 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 8fab h ALA 79 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 8fab h ALA 79 CO 0.54 -0.19 0.00 -0.85 0.00 0.00 0.00 179.25 178.75 8fab n GLU 80 N -4.67 0.67 0.00 0.00 0.00 -1.26 -2.50 120.64 112.87 8fab n GLU 80 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.52 8fab n GLU 80 Cb 0.61 -1.48 0.64 0.00 0.00 0.00 0.00 31.44 31.21 8fab n GLU 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 8fab n ASP 81 N -0.98 0.66 -4.68 -1.84 8.00 -0.51 -4.87 116.55 112.34 8fab n ASP 81 Ca 0.15 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 8fab n ASP 81 Cb 0.07 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 8fab n ASP 81 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 8fab s GLU 82 N -2.28 4.24 -0.07 -1.24 2.12 -1.04 -4.90 118.70 115.53 8fab s GLU 82 Ca 0.34 2.00 -0.32 0.00 0.36 0.00 0.00 54.97 57.36 8fab s GLU 82 Cb 0.21 -3.71 0.13 0.00 0.26 0.00 0.00 34.13 31.02 8fab s GLU 82 CO 0.43 -0.67 1.39 0.00 -0.54 0.00 0.00 175.26 175.86 8fab s ALA 83 N 2.99 -2.48 0.09 6.30 0.00 -1.13 -4.87 121.76 122.67 8fab s ALA 83 Ca 0.66 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 8fab s ALA 83 Cb -0.31 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 8fab s ALA 83 CO 0.26 -1.08 0.60 -0.51 0.00 0.00 0.00 175.76 175.03 8fab s ASP 84 N -3.17 7.09 -0.06 0.00 1.01 -0.31 -1.03 116.67 120.20 8fab s ASP 84 Ca 0.18 1.30 0.05 0.00 0.71 0.00 0.00 52.55 54.79 8fab s ASP 84 Cb 0.06 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 8fab s ASP 84 CO -0.05 0.25 -0.23 -0.31 0.21 0.00 0.00 175.17 175.03 8fab s TYR 85 N -1.15 2.29 -0.07 4.23 1.51 0.16 -0.61 117.35 123.70 8fab s TYR 85 Ca 0.31 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 8fab s TYR 85 Cb -0.19 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 8fab s TYR 85 CO 0.20 -0.24 -0.17 0.71 -1.11 0.00 0.00 175.55 174.94 8fab s TYR 86 N -0.04 1.87 0.44 2.71 1.51 -0.11 -1.66 117.35 122.06 8fab s TYR 86 Ca -0.06 -0.70 -0.02 0.00 -1.01 0.00 0.00 57.07 55.28 8fab s TYR 86 Cb -0.14 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 8fab s TYR 86 CO 0.04 -0.30 0.69 0.00 -1.11 0.00 0.00 175.55 174.87 8fab s GLN 88 N -4.58 0.51 0.00 0.00 -0.44 0.19 -1.22 119.66 114.12 8fab s GLN 88 Ca 0.45 -0.09 0.00 0.00 -2.50 0.00 0.00 55.36 53.23 8fab s GLN 88 Cb -0.10 0.23 0.00 0.00 -1.64 0.00 0.00 33.01 31.50 8fab s GLN 88 CO 0.41 -0.12 0.00 0.00 0.50 0.00 0.00 175.29 176.08 8fab n ALA 89 N 1.82 0.00 0.00 1.58 0.00 -0.65 -0.60 120.51 122.66 8fab n ALA 89 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 8fab n ALA 89 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 8fab n ALA 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 8fab n TRP 90 N 0.00 0.00 -4.16 0.00 4.27 -1.26 -1.27 117.44 115.02 8fab n TRP 90 Ca 0.00 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.51 8fab n TRP 90 Cb 0.00 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 29.91 8fab n TRP 90 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 8fab n ASP 91 N 0.37 -0.14 -1.89 -0.67 5.68 -0.82 -4.81 116.55 114.28 8fab n ASP 91 Ca 0.00 -2.09 -0.11 0.00 -0.50 0.00 0.00 54.79 52.09 8fab n ASP 91 Cb 0.00 0.79 -0.06 0.00 -1.14 0.00 0.00 41.12 40.71 8fab n ASP 91 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 8fab n ASN 92 N -2.26 5.67 0.00 -1.12 0.23 -1.26 -2.81 115.26 113.71 8fab n ASN 92 Ca 0.03 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.42 8fab n ASN 92 Cb 0.30 -1.24 0.00 0.00 -2.08 0.00 0.00 39.78 36.77 8fab n ASN 92 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 8fab n SER 93 N 1.57 0.00 -3.59 0.53 7.64 -1.26 -5.13 113.62 113.38 8fab n SER 93 Ca 0.27 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.03 8fab n SER 93 Cb 0.67 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.81 8fab n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 8fab s ALA 94 N -0.53 -1.89 0.17 -0.43 0.00 -1.12 -5.18 121.76 112.77 8fab s ALA 94 Ca 0.00 1.65 0.05 0.00 0.00 0.00 0.00 51.96 53.66 8fab s ALA 94 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 8fab s ALA 94 CO 0.00 -0.31 0.14 -1.12 0.00 0.00 0.00 175.76 174.48 8fab s SER 95 N -0.63 5.55 -0.03 0.00 0.01 -1.26 -1.94 113.70 115.39 8fab s SER 95 Ca -0.02 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.15 8fab s SER 95 Cb -0.02 -1.46 -0.00 0.00 0.21 0.00 0.00 66.02 64.75 8fab s SER 95 CO 0.01 0.07 -0.15 -0.63 0.41 0.00 0.00 173.24 172.95 8fab s ILE 96 N -1.76 1.22 -0.00 1.44 -1.09 -0.40 -4.95 121.20 115.65 8fab s ILE 96 Ca 0.31 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 8fab s ILE 96 Cb -0.10 -1.05 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 8fab s ILE 96 CO 0.24 0.36 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.83 8fab s PHE 97 N 0.01 2.76 0.96 3.97 0.08 -1.26 -1.63 117.98 122.87 8fab s PHE 97 Ca -0.02 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 8fab s PHE 97 Cb -0.10 -1.58 0.17 0.00 -0.57 0.00 0.00 43.02 40.94 8fab s PHE 97 CO 0.01 0.30 1.10 0.20 -0.10 0.00 0.00 175.22 176.73 8fab s GLY 98 N -1.25 1.58 0.32 4.36 0.00 -0.36 -4.59 107.32 107.38 8fab s GLY 98 Ca 0.15 -0.36 0.26 0.00 0.00 0.00 0.00 44.72 44.77 8fab s GLY 98 CO 0.05 0.22 1.77 -1.33 0.00 0.00 0.00 173.10 173.82 8fab h GLY 99 N -1.75 0.00 0.00 0.20 0.00 -1.90 -3.44 103.07 96.18 8fab h GLY 99 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 8fab h GLY 99 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 8fab n GLY 100 N 0.39 2.24 2.93 4.60 0.00 -1.26 -5.06 105.19 109.02 8fab n GLY 100 Ca 0.03 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 8fab n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 8fab s THR 101 N -1.22 0.99 -0.29 2.61 2.01 -0.66 -4.34 115.64 114.74 8fab s THR 101 Ca 0.00 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 8fab s THR 101 Cb 0.00 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.53 8fab s THR 101 CO 0.00 0.35 0.99 -0.75 -0.69 0.00 0.00 174.62 174.52 8fab s LYS 102 N 1.41 4.11 -0.25 4.92 2.47 -0.57 -0.66 119.74 131.17 8fab s LYS 102 Ca -0.01 1.04 -0.16 0.00 -1.56 0.00 0.00 55.97 55.28 8fab s LYS 102 Cb -0.13 -3.70 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 8fab s LYS 102 CO -0.05 -0.75 0.44 -1.17 0.16 0.00 0.00 175.35 173.99 8fab s LEU 103 N 3.32 4.07 -0.12 5.43 2.96 -0.20 -1.64 118.68 132.50 8fab s LEU 103 Ca 0.41 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 8fab s LEU 103 Cb -0.14 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 8fab s LEU 103 CO 0.12 -0.21 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.97 8fab s THR 104 N 2.00 3.54 -0.44 3.68 2.01 -0.62 -2.82 115.64 122.99 8fab s THR 104 Ca 0.19 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 8fab s THR 104 Cb -0.15 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 69.89 8fab s THR 104 CO 0.09 0.53 0.37 -0.69 -0.69 0.00 0.00 174.62 174.23 8fab s VAL 105 N 0.06 5.21 -0.05 3.82 1.01 -1.26 -1.59 120.40 127.60 8fab s VAL 105 Ca -0.02 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 8fab s VAL 105 Cb -0.14 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 8fab s VAL 105 CO 0.03 -0.44 2.01 0.18 0.00 0.00 0.00 175.10 176.88 8fab n LEU 106 N 5.29 3.76 -0.02 3.92 4.77 0.10 -4.85 117.00 129.98 8fab n LEU 106 Ca -0.11 0.78 0.01 0.00 -0.03 0.00 0.00 56.01 56.66 8fab n LEU 106 Cb 0.46 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 8fab n LEU 106 CO 0.44 -0.05 0.46 0.61 -1.33 0.00 0.00 177.39 177.53 8fab n GLY 107 N 4.80 2.16 3.61 -0.72 0.00 -1.26 -4.49 105.19 109.29 8fab n GLY 107 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 8fab n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 8fab s GLN 108 N -1.00 1.50 0.58 1.61 -2.07 -1.26 -5.15 119.66 113.87 8fab s GLN 108 Ca 0.03 -0.85 -0.18 0.00 -1.82 0.00 0.00 55.36 52.54 8fab s GLN 108 Cb 0.03 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 8fab s GLN 108 CO 0.00 -0.66 1.13 -1.25 -1.32 0.00 0.00 175.29 173.20 8fab s PRO 109 N -3.87 3.16 0.38 9.60 0.04 -1.26 -4.99 135.00 138.06 8fab s PRO 109 Ca 0.09 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 8fab s PRO 109 Cb -0.03 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 8fab s PRO 109 CO -0.01 -1.00 1.37 0.21 0.04 0.00 0.00 177.00 177.62 8fab s LYS 110 N -3.51 4.10 -0.04 4.56 2.36 -1.26 -4.81 119.74 121.14 8fab s LYS 110 Ca 0.72 2.33 -0.01 0.00 -2.55 0.00 0.00 55.97 56.46 8fab s LYS 110 Cb -0.24 -2.91 0.03 0.00 -1.05 0.00 0.00 37.83 33.66 8fab s LYS 110 CO 0.31 -0.44 0.03 0.00 1.55 0.00 0.00 175.35 176.80 8fab s ALA 111 N -1.17 0.33 0.41 3.13 0.00 -0.20 -4.93 121.76 119.33 8fab s ALA 111 Ca 0.53 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 8fab s ALA 111 Cb -0.42 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 8fab s ALA 111 CO 0.55 -0.36 0.87 0.00 0.00 0.00 0.00 175.76 176.82 8fab s ALA 112 N 1.79 3.17 0.36 0.00 0.00 -1.26 -1.90 121.76 123.91 8fab s ALA 112 Ca 0.01 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 8fab s ALA 112 Cb -0.12 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 8fab s ALA 112 CO -0.03 0.11 1.02 -1.25 0.00 0.00 0.00 175.76 175.61 8fab s PRO 113 N -3.37 4.37 -0.06 0.00 0.04 -1.26 -4.58 135.00 130.14 8fab s PRO 113 Ca 0.58 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 8fab s PRO 113 Cb -0.10 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 8fab s PRO 113 CO 0.20 0.05 0.72 -1.12 0.04 0.00 0.00 177.00 176.89 8fab s SER 114 N -1.48 7.02 -0.10 6.66 0.01 -0.10 -4.91 113.70 120.80 8fab s SER 114 Ca 0.53 1.23 0.01 0.00 1.31 0.00 0.00 55.95 59.02 8fab s SER 114 Cb -0.22 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 8fab s SER 114 CO 0.28 -0.12 -0.11 -0.69 0.41 0.00 0.00 173.24 173.01 8fab s VAL 115 N 0.80 3.31 -0.14 3.43 1.01 -1.26 -1.44 120.40 126.11 8fab s VAL 115 Ca 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.77 8fab s VAL 115 Cb -0.18 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.86 8fab s VAL 115 CO 0.19 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 174.82 8fab s THR 116 N -0.17 1.45 -0.18 3.92 2.01 -0.01 -4.97 115.64 117.69 8fab s THR 116 Ca 0.01 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 8fab s THR 116 Cb -0.13 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 8fab s THR 116 CO 0.03 0.44 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.14 8fab s LEU 117 N 1.48 3.13 -0.15 4.42 2.96 -1.26 -0.96 118.68 128.30 8fab s LEU 117 Ca 0.04 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 8fab s LEU 117 Cb -0.13 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 8fab s LEU 117 CO -0.09 0.10 0.03 -0.36 -1.32 0.00 0.00 176.35 174.70 8fab s PHE 118 N 0.80 3.20 0.85 5.38 0.08 -0.48 -4.98 117.98 122.83 8fab s PHE 118 Ca -0.01 0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 8fab s PHE 118 Cb -0.14 -1.97 0.11 0.00 -0.57 0.00 0.00 43.02 40.45 8fab s PHE 118 CO 0.02 0.23 1.16 -1.25 -0.10 0.00 0.00 175.22 175.28 8fab s PRO 119 N -0.05 1.43 0.47 0.24 0.04 -1.26 -3.09 135.00 132.78 8fab s PRO 119 Ca 0.05 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 8fab s PRO 119 Cb -0.12 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 8fab s PRO 119 CO 0.02 -2.33 1.17 -2.30 0.04 0.00 0.00 177.00 173.60 8fab n PRO 120 N -3.76 1.60 -2.02 0.56 -0.02 -1.25 -4.86 135.00 125.25 8fab n PRO 120 Ca 0.12 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 8fab n PRO 120 Cb 0.52 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 8fab n PRO 120 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 8fab s SER 121 N -0.74 6.66 0.34 2.55 0.15 -1.26 -4.91 113.70 116.49 8fab s SER 121 Ca 0.65 2.69 0.04 0.00 0.70 0.00 0.00 55.95 60.03 8fab s SER 121 Cb -0.49 -2.63 0.67 0.00 -1.71 0.00 0.00 66.02 61.85 8fab s SER 121 CO 0.55 -0.68 1.93 0.28 1.20 0.00 0.00 173.24 176.52 8fab h SER 122 N 4.58 0.76 -0.45 5.45 0.02 -1.99 -1.26 113.55 120.66 8fab h SER 122 Ca -0.47 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 8fab h SER 122 Cb 1.22 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 8fab h SER 122 CO 0.74 0.48 0.28 -0.08 -1.14 0.00 0.00 176.83 177.11 8fab h GLU 123 N 0.85 0.56 -0.50 3.45 4.81 -1.99 0.10 114.58 121.86 8fab h GLU 123 Ca 0.36 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 8fab h GLU 123 Cb 0.29 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 8fab h GLU 123 CO -0.13 0.37 0.19 1.49 -0.73 0.00 0.00 179.01 180.19 8fab h GLU 124 N 0.57 0.76 -0.64 1.92 4.81 -1.78 -2.03 114.58 118.20 8fab h GLU 124 Ca 0.18 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 8fab h GLU 124 Cb -0.02 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 8fab h GLU 124 CO -0.06 0.69 0.43 -0.07 -0.73 0.00 0.00 179.01 179.26 8fab h LEU 125 N 0.68 0.55 -1.17 1.64 3.38 -0.39 0.85 115.31 120.85 8fab h LEU 125 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 8fab h LEU 125 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 8fab h LEU 125 CO -0.01 0.36 -0.40 1.56 0.09 0.00 0.00 178.44 180.04 8fab h GLN 126 N 0.63 0.03 -0.15 1.13 1.08 -0.14 -0.87 115.11 116.82 8fab h GLN 126 Ca 0.28 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 8fab h GLN 126 Cb 0.29 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 8fab h GLN 126 CO -0.09 0.42 0.00 0.00 -0.95 0.00 0.00 178.83 178.22 8fab n ALA 127 N -2.46 2.49 -3.68 3.87 0.00 0.26 -4.90 120.51 116.09 8fab n ALA 127 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 8fab n ALA 127 Cb 0.43 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.92 8fab n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 8fab n ASN 128 N -0.42 -1.67 -3.82 0.00 2.85 -0.33 -5.03 115.26 106.84 8fab n ASN 128 Ca 0.00 -0.83 -0.09 0.00 -0.11 0.00 0.00 54.58 53.55 8fab n ASN 128 Cb 0.04 -4.06 -0.06 0.00 1.24 0.00 0.00 39.78 36.93 8fab n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 8fab s LYS 129 N -5.90 0.97 -0.06 1.20 -0.14 -1.12 -4.74 119.74 109.96 8fab s LYS 129 Ca 0.05 -0.94 -0.02 0.00 -1.36 0.00 0.00 55.97 53.70 8fab s LYS 129 Cb -0.01 0.38 0.04 0.00 -1.68 0.00 0.00 37.83 36.56 8fab s LYS 129 CO 0.81 -0.34 0.11 0.00 -0.76 0.00 0.00 175.35 175.17 8fab s ALA 130 N -3.87 -0.06 -0.16 5.17 0.00 -0.76 -3.03 121.76 119.05 8fab s ALA 130 Ca 0.07 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.51 8fab s ALA 130 Cb 0.04 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.63 8fab s ALA 130 CO -0.09 -0.33 -0.20 0.99 0.00 0.00 0.00 175.76 176.13 8fab s THR 131 N 1.66 2.02 -0.08 0.00 2.01 -1.26 -0.73 115.64 119.26 8fab s THR 131 Ca -0.03 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 8fab s THR 131 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 8fab s THR 131 CO -0.05 0.54 0.38 -0.76 -0.69 0.00 0.00 174.62 174.04 8fab s LEU 132 N 1.09 4.35 -0.19 4.42 1.02 -0.33 -3.83 118.68 125.21 8fab s LEU 132 Ca -0.00 0.77 -0.02 0.00 0.02 0.00 0.00 54.13 54.90 8fab s LEU 132 Cb -0.14 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.55 8fab s LEU 132 CO -0.08 0.18 -0.11 -0.69 0.02 0.00 0.00 176.35 175.67 8fab s VAL 133 N -0.20 2.86 -0.24 -1.59 1.01 -1.18 -1.50 120.40 119.56 8fab s VAL 133 Ca 0.22 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 8fab s VAL 133 Cb -0.15 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.00 8fab s VAL 133 CO 0.09 0.48 -0.07 0.00 0.00 0.00 0.00 175.10 175.60 8fab s LEU 135 N 1.33 3.10 -0.13 0.00 1.43 -0.13 -0.69 118.68 123.59 8fab s LEU 135 Ca 0.01 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 8fab s LEU 135 Cb -0.16 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.37 8fab s LEU 135 CO -0.05 0.22 -0.07 -0.63 0.23 0.00 0.00 176.35 176.04 8fab s ILE 136 N 0.05 1.09 0.18 -0.59 1.01 -0.16 -0.83 121.20 121.96 8fab s ILE 136 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.22 8fab s ILE 136 Cb -0.14 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 8fab s ILE 136 CO 0.03 0.30 0.06 -0.94 0.00 0.00 0.00 174.94 174.39 8fab s SER 137 N 1.67 0.71 -1.45 3.58 1.04 -0.52 -1.11 113.70 117.62 8fab s SER 137 Ca 0.04 -1.26 -0.07 0.00 0.48 0.00 0.00 55.95 55.14 8fab s SER 137 Cb -0.13 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.23 8fab s SER 137 CO -0.08 -0.70 0.95 0.47 0.98 0.00 0.00 173.24 174.86 8fab n ASP 138 N -0.23 -6.27 -4.68 7.02 8.00 -0.41 -0.92 116.55 119.06 8fab n ASP 138 Ca -0.04 -0.44 -0.30 0.00 0.71 0.00 0.00 54.79 54.73 8fab n ASP 138 Cb 0.64 -4.99 -0.08 0.00 -0.02 0.00 0.00 41.12 36.68 8fab n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 8fab s PHE 139 N -3.26 2.96 -0.11 1.24 -0.71 -1.09 -4.57 117.98 112.44 8fab s PHE 139 Ca 0.47 -0.05 -0.07 0.00 -1.04 0.00 0.00 56.93 56.25 8fab s PHE 139 Cb -0.21 -1.52 0.04 0.00 -1.21 0.00 0.00 43.02 40.12 8fab s PHE 139 CO 0.59 0.48 0.27 -0.47 -1.34 0.00 0.00 175.22 174.75 8fab s TYR 140 N -1.34 -0.35 0.84 3.49 5.04 -0.80 -0.48 117.35 123.76 8fab s TYR 140 Ca 0.26 0.82 -0.10 0.00 -2.44 0.00 0.00 57.07 55.60 8fab s TYR 140 Cb -0.11 0.09 0.10 0.00 0.35 0.00 0.00 41.96 42.39 8fab s TYR 140 CO 0.18 -0.21 1.12 -1.25 -1.34 0.00 0.00 175.55 174.05 8fab s PRO 141 N 0.87 1.67 -1.57 4.97 0.04 -1.26 -1.03 135.00 138.68 8fab s PRO 141 Ca -0.06 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 8fab s PRO 141 Cb -0.07 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 8fab s PRO 141 CO -0.06 -2.11 2.76 0.41 0.04 0.00 0.00 177.00 178.04 8fab n GLY 142 N -0.53 4.33 3.19 0.56 0.00 -1.26 -4.80 105.19 106.67 8fab n GLY 142 Ca 0.10 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 8fab n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8fab s ALA 143 N 2.28 -0.79 0.11 4.61 0.00 -1.26 -4.76 121.76 121.95 8fab s ALA 143 Ca 0.64 1.04 -0.06 0.00 0.00 0.00 0.00 51.96 53.58 8fab s ALA 143 Cb 0.17 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 8fab s ALA 143 CO -0.07 -0.18 0.15 0.14 0.00 0.00 0.00 175.76 175.80 8fab s VAL 144 N 0.63 0.13 -0.06 0.00 -7.23 -1.26 -4.67 120.40 107.94 8fab s VAL 144 Ca -0.04 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 8fab s VAL 144 Cb -0.05 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.22 8fab s VAL 144 CO -0.04 -0.57 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.15 8fab s THR 145 N -3.94 1.21 -0.17 5.32 2.01 -0.70 -4.98 115.64 114.38 8fab s THR 145 Ca 0.13 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 8fab s THR 145 Cb 0.06 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.48 8fab s THR 145 CO -0.05 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 8fab s VAL 146 N 0.42 2.81 -0.02 3.82 1.01 -1.26 -0.85 120.40 126.33 8fab s VAL 146 Ca -0.10 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.22 8fab s VAL 146 Cb -0.14 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 8fab s VAL 146 CO 0.03 0.50 -0.19 0.00 0.00 0.00 0.00 175.10 175.44 8fab s ALA 147 N 0.94 1.61 -0.07 5.51 0.00 -0.07 -5.00 121.76 124.67 8fab s ALA 147 Ca -0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 8fab s ALA 147 Cb -0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 8fab s ALA 147 CO -0.02 0.39 0.06 -1.58 0.00 0.00 0.00 175.76 174.61 8fab s TRP 148 N -0.41 3.30 0.03 0.00 0.52 -1.26 -0.47 118.94 120.64 8fab s TRP 148 Ca 0.06 0.28 0.06 0.00 0.02 0.00 0.00 56.10 56.53 8fab s TRP 148 Cb -0.08 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 8fab s TRP 148 CO -0.00 0.56 -0.18 0.15 0.02 0.00 0.00 176.95 177.50 8fab s LYS 149 N -1.13 1.23 -0.30 4.98 -0.14 -0.47 -1.14 119.74 122.77 8fab s LYS 149 Ca 0.16 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.97 8fab s LYS 149 Cb -0.12 -1.27 0.06 0.00 -1.68 0.00 0.00 37.83 34.82 8fab s LYS 149 CO 0.06 0.33 -0.02 0.00 -0.76 0.00 0.00 175.35 174.95 8fab s ALA 150 N -0.73 2.75 0.00 5.17 0.00 0.10 -1.07 121.76 127.98 8fab s ALA 150 Ca 0.05 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.11 8fab s ALA 150 Cb -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.20 8fab s ALA 150 CO 0.01 -1.33 0.00 -0.25 0.00 0.00 0.00 175.76 174.19 8fab n ASP 151 N 4.50 0.00 0.00 0.00 8.00 0.14 -1.13 116.55 128.06 8fab n ASP 151 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 8fab n ASP 151 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 8fab n ASP 151 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 8fab n SER 152 N 5.54 0.71 -4.71 -2.24 7.64 -1.26 -4.88 113.62 114.42 8fab n SER 152 Ca 0.00 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 8fab n SER 152 Cb 0.00 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 8fab n SER 152 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 8fab s SER 153 N -0.10 7.33 0.33 6.43 0.01 -0.29 -5.01 113.70 122.41 8fab s SER 153 Ca 0.00 1.71 -0.29 0.00 1.31 0.00 0.00 55.95 58.68 8fab s SER 153 Cb 0.00 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 63.54 8fab s SER 153 CO 0.00 -0.29 1.51 -0.81 0.41 0.00 0.00 173.24 174.06 8fab n PRO 154 N 3.90 2.58 -4.95 12.44 -0.04 -1.26 -0.72 135.00 146.95 8fab n PRO 154 Ca 0.06 0.91 -0.33 0.00 -0.04 0.00 0.00 63.50 64.11 8fab n PRO 154 Cb 0.50 -2.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.17 8fab n PRO 154 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 8fab s ILE 155 N -0.58 2.68 -0.02 0.52 1.01 -0.29 -4.87 121.20 119.64 8fab s ILE 155 Ca 0.59 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 60.51 8fab s ILE 155 Cb -0.51 -2.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.77 8fab s ILE 155 CO 0.56 0.54 0.15 0.29 0.00 0.00 0.00 174.94 176.48 8fab n LYS 156 N 3.48 0.29 -3.68 2.79 4.76 -1.26 -4.29 118.16 120.25 8fab n LYS 156 Ca -0.18 -0.06 -0.33 0.00 -2.87 0.00 0.00 58.31 54.86 8fab n LYS 156 Cb 0.53 -1.15 -0.05 0.00 -1.84 0.00 0.00 35.03 32.52 8fab n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 8fab s ALA 157 N -2.44 3.80 -0.21 7.82 0.00 -1.26 -4.08 121.76 125.39 8fab s ALA 157 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.41 8fab s ALA 157 Cb 0.04 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.03 8fab s ALA 157 CO 0.28 0.64 0.00 0.41 0.00 0.00 0.00 175.76 177.09 8fab n GLY 158 N 0.65 0.48 3.58 0.00 0.00 -1.26 -4.77 105.19 103.87 8fab n GLY 158 Ca -0.07 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 8fab n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8fab s VAL 159 N -2.08 3.97 -0.10 1.61 1.01 -1.26 -0.47 120.40 123.09 8fab s VAL 159 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 8fab s VAL 159 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.72 8fab s VAL 159 CO 0.00 0.56 -0.07 -1.61 0.00 0.00 0.00 175.10 173.98 8fab s GLU 160 N -0.37 1.36 -0.02 2.72 0.41 -0.35 -4.96 118.70 117.48 8fab s GLU 160 Ca 0.06 -0.20 0.06 0.00 -0.41 0.00 0.00 54.97 54.48 8fab s GLU 160 Cb -0.12 -1.44 -0.01 0.00 -1.78 0.00 0.00 34.13 30.78 8fab s GLU 160 CO 0.02 -0.24 -0.19 0.99 -0.49 0.00 0.00 175.26 175.35 8fab s THR 161 N 1.64 1.47 0.52 3.63 2.01 -1.26 -0.26 115.64 123.39 8fab s THR 161 Ca 0.03 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 8fab s THR 161 Cb -0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 8fab s THR 161 CO -0.06 0.42 0.85 0.42 -0.69 0.00 0.00 174.62 175.55 8fab s THR 162 N -0.39 4.83 0.36 -0.82 -4.23 -0.16 -5.00 115.64 110.24 8fab s THR 162 Ca 0.06 0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 60.68 8fab s THR 162 Cb -0.08 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.81 8fab s THR 162 CO -0.00 -0.91 0.98 -0.89 -0.54 0.00 0.00 174.62 173.25 8fab s THR 163 N -2.85 4.09 0.30 3.99 2.01 -1.26 -4.57 115.64 117.34 8fab s THR 163 Ca 0.49 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.82 8fab s THR 163 Cb -0.10 -3.84 -0.13 0.00 0.01 0.00 0.00 72.50 68.43 8fab s THR 163 CO 0.47 0.02 1.22 -2.65 -0.69 0.00 0.00 174.62 173.00 8fab n PRO 164 N 0.17 1.83 -4.66 4.92 -0.02 -1.26 -4.82 135.00 131.16 8fab n PRO 164 Ca 0.04 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 8fab n PRO 164 Cb 0.51 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 8fab n PRO 164 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 8fab s SER 165 N -0.25 2.02 0.02 2.55 0.01 -0.67 -4.92 113.70 112.47 8fab s SER 165 Ca 0.60 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.17 8fab s SER 165 Cb -0.64 -0.19 -0.07 0.00 0.21 0.00 0.00 66.02 65.34 8fab s SER 165 CO 0.59 0.16 1.50 -0.75 0.41 0.00 0.00 173.24 175.15 8fab s LYS 166 N -0.74 4.25 0.83 12.44 2.20 -1.26 -0.74 119.74 136.72 8fab s LYS 166 Ca 0.06 2.11 -0.12 0.00 -0.36 0.00 0.00 55.97 57.65 8fab s LYS 166 Cb -0.07 -3.59 0.09 0.00 -1.51 0.00 0.00 37.83 32.75 8fab s LYS 166 CO 0.00 -0.64 1.19 -0.65 -0.36 0.00 0.00 175.35 174.89 8fab s GLN 167 N 2.53 1.79 0.21 4.03 -0.21 0.11 -4.90 119.66 123.22 8fab s GLN 167 Ca 0.68 0.07 -0.10 0.00 0.02 0.00 0.00 55.36 56.03 8fab s GLN 167 Cb -0.35 -1.93 0.20 0.00 1.00 0.00 0.00 33.01 31.93 8fab s GLN 167 CO 0.29 -1.71 1.84 0.66 -2.12 0.00 0.00 175.29 174.25 8fab h SER 168 N -1.14 0.68 0.00 5.90 4.64 -1.95 -1.48 113.55 120.20 8fab h SER 168 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 8fab h SER 168 Cb 1.32 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 8fab h SER 168 CO 0.63 0.47 0.00 -0.46 -0.87 0.00 0.00 176.83 176.60 8fab n ASN 169 N -4.69 0.10 0.00 4.97 6.94 -1.26 -4.86 115.26 116.46 8fab n ASN 169 Ca 0.08 -1.73 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 8fab n ASN 169 Cb 0.10 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 8fab n ASN 169 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 8fab n ASN 170 N -0.43 -1.92 -4.95 0.53 3.02 -0.56 -5.03 115.26 105.92 8fab n ASN 170 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 8fab n ASN 170 Cb 0.03 -1.11 0.04 0.00 -0.61 0.00 0.00 39.78 38.13 8fab n ASN 170 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 8fab s LYS 171 N -0.47 2.47 0.31 3.52 1.02 -1.26 -4.83 119.74 120.49 8fab s LYS 171 Ca 0.00 -1.15 0.09 0.00 0.02 0.00 0.00 55.97 54.93 8fab s LYS 171 Cb 0.00 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 8fab s LYS 171 CO 0.00 -0.70 0.06 0.71 -0.92 0.00 0.00 175.35 174.50 8fab s TYR 172 N -2.66 2.69 0.04 3.18 1.51 0.37 0.07 117.35 122.55 8fab s TYR 172 Ca 0.59 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 8fab s TYR 172 Cb -0.09 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 8fab s TYR 172 CO 0.38 0.48 -0.06 0.00 -1.11 0.00 0.00 175.55 175.23 8fab s ALA 173 N -2.39 0.49 0.13 3.71 0.00 0.08 -1.29 121.76 122.50 8fab s ALA 173 Ca 0.34 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 8fab s ALA 173 Cb -0.04 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.18 8fab s ALA 173 CO 0.21 -0.08 0.33 0.00 0.00 0.00 0.00 175.76 176.23 8fab s ALA 174 N -1.61 -0.54 0.03 0.00 0.00 -0.27 -1.66 121.76 117.71 8fab s ALA 174 Ca -0.10 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.47 8fab s ALA 174 Cb -0.09 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 8fab s ALA 174 CO -0.01 -0.63 -0.07 -1.12 0.00 0.00 0.00 175.76 173.94 8fab s SER 175 N -2.86 0.77 0.06 0.00 0.01 -1.26 -0.98 113.70 109.43 8fab s SER 175 Ca 0.07 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 56.95 8fab s SER 175 Cb 0.03 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 8fab s SER 175 CO -0.08 -0.14 -0.15 -0.55 0.41 0.00 0.00 173.24 172.73 8fab s SER 176 N -1.21 1.84 -0.09 2.44 0.15 0.14 -0.99 113.70 115.97 8fab s SER 176 Ca -0.07 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.03 8fab s SER 176 Cb -0.08 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 8fab s SER 176 CO 0.00 -0.00 -0.08 -0.31 1.20 0.00 0.00 173.24 174.05 8fab s TYR 177 N -1.06 1.31 -0.23 3.44 1.51 0.65 -1.12 117.35 121.84 8fab s TYR 177 Ca 0.01 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 8fab s TYR 177 Cb -0.09 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 8fab s TYR 177 CO 0.02 -0.38 0.11 -1.17 -1.11 0.00 0.00 175.55 173.02 8fab s LEU 178 N 1.29 3.80 -0.15 -1.29 2.96 -0.56 -1.22 118.68 123.50 8fab s LEU 178 Ca -0.03 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 8fab s LEU 178 Cb -0.14 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 8fab s LEU 178 CO -0.03 0.05 0.28 -0.44 -1.32 0.00 0.00 176.35 174.89 8fab s SER 179 N 1.15 6.43 0.20 3.68 0.01 0.39 -1.18 113.70 124.37 8fab s SER 179 Ca 0.06 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.83 8fab s SER 179 Cb -0.14 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 8fab s SER 179 CO 0.04 0.13 0.07 -0.76 0.41 0.00 0.00 173.24 173.13 8fab s LEU 180 N 0.33 1.68 0.52 2.44 1.43 0.09 -4.76 118.68 120.41 8fab s LEU 180 Ca 0.16 -1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 51.89 8fab s LEU 180 Cb -0.13 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 8fab s LEU 180 CO 0.04 -0.71 0.87 0.42 0.23 0.00 0.00 176.35 177.19 8fab s THR 181 N -3.87 4.83 0.40 5.49 -4.23 -1.26 -1.83 115.64 115.17 8fab s THR 181 Ca 0.32 0.47 0.08 0.00 -1.18 0.00 0.00 61.69 61.38 8fab s THR 181 Cb 0.07 -3.85 0.29 0.00 1.34 0.00 0.00 72.50 70.35 8fab s THR 181 CO 0.09 -0.92 2.01 -0.65 -0.54 0.00 0.00 174.62 174.60 8fab h PRO 182 N 0.14 0.58 -0.46 3.99 0.11 -1.85 -2.41 132.00 132.11 8fab h PRO 182 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 8fab h PRO 182 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 8fab h PRO 182 CO 0.62 0.38 -0.24 0.93 -0.21 0.00 0.00 178.00 179.48 8fab h GLU 183 N 0.60 0.96 -0.66 1.05 4.39 -1.99 -2.17 114.58 116.76 8fab h GLU 183 Ca 0.24 -0.42 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 8fab h GLU 183 Cb 0.19 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 8fab h GLU 183 CO -0.07 1.09 0.20 1.96 -1.16 0.00 0.00 179.01 181.02 8fab h GLN 184 N 0.82 1.01 -0.48 2.33 4.20 -1.85 -2.47 115.11 118.67 8fab h GLN 184 Ca 0.10 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.62 8fab h GLN 184 Cb 0.81 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 8fab h GLN 184 CO 0.07 0.87 0.30 2.35 -0.67 0.00 0.00 178.83 181.75 8fab h TRP 185 N 0.97 0.56 -0.00 2.96 -0.00 -1.19 -2.86 115.95 116.39 8fab h TRP 185 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 8fab h TRP 185 Cb 0.29 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.27 8fab h TRP 185 CO 0.02 0.33 -0.10 1.63 -0.00 0.00 0.00 178.44 180.32 8fab n LYS 186 N -4.79 0.00 -0.55 2.65 5.02 -0.84 -3.78 118.16 115.87 8fab n LYS 186 Ca 0.03 -0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.37 8fab n LYS 186 Cb 0.05 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 33.82 8fab n LYS 186 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 8fab n SER 187 N -1.50 3.93 -4.09 4.39 7.64 -0.95 -4.91 113.62 118.13 8fab n SER 187 Ca 0.07 -2.53 -0.13 0.00 1.01 0.00 0.00 58.87 57.29 8fab n SER 187 Cb 0.34 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.84 8fab n SER 187 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 8fab s HIS 188 N -2.06 0.74 0.20 1.43 3.76 -1.25 -5.05 115.29 113.07 8fab s HIS 188 Ca 0.36 -0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 54.64 8fab s HIS 188 Cb 0.26 -0.44 0.14 0.00 1.11 0.00 0.00 32.58 33.65 8fab s HIS 188 CO 0.12 -0.09 1.54 0.00 -0.85 0.00 0.00 174.74 175.45 8fab h ARG 189 N 4.13 0.60 -2.42 1.40 2.47 -1.91 -3.42 114.38 115.23 8fab h ARG 189 Ca -0.36 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 58.01 8fab h ARG 189 Cb 1.19 0.02 -0.16 0.00 -1.65 0.00 0.00 29.97 29.38 8fab h ARG 189 CO 0.46 0.94 0.27 -1.54 0.56 0.00 0.00 179.97 180.66 8fab s SER 190 N -6.88 -0.56 0.03 7.04 1.04 -1.26 -4.42 113.70 108.68 8fab s SER 190 Ca -0.08 0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.74 8fab s SER 190 Cb 0.12 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 8fab s SER 190 CO 0.84 -0.74 -0.25 -0.31 0.98 0.00 0.00 173.24 173.76 8fab s TYR 191 N -2.50 2.21 0.04 5.02 1.51 -0.31 -0.68 117.35 122.64 8fab s TYR 191 Ca -0.03 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 8fab s TYR 191 Cb -0.01 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 8fab s TYR 191 CO -0.03 0.07 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.19 8fab s SER 192 N -1.04 2.06 -0.21 2.29 0.01 -0.24 -1.10 113.70 115.47 8fab s SER 192 Ca 0.10 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 8fab s SER 192 Cb -0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 8fab s SER 192 CO 0.01 0.10 -0.04 0.00 0.41 0.00 0.00 173.24 173.72 8fab s GLN 194 N 1.27 2.41 -0.18 0.00 -2.07 0.38 -1.78 119.66 119.68 8fab s GLN 194 Ca 0.03 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 52.84 8fab s GLN 194 Cb -0.14 -1.95 0.02 0.00 -1.09 0.00 0.00 33.01 29.85 8fab s GLN 194 CO -0.01 0.22 -0.19 0.08 -1.32 0.00 0.00 175.29 174.07 8fab s VAL 195 N 0.19 2.04 -0.13 3.63 1.01 -0.26 -0.89 120.40 125.99 8fab s VAL 195 Ca -0.11 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 8fab s VAL 195 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 8fab s VAL 195 CO 0.05 0.49 0.12 -0.89 0.00 0.00 0.00 175.10 174.87 8fab s THR 196 N 1.29 5.32 -0.08 3.92 2.01 -0.03 -0.71 115.64 127.35 8fab s THR 196 Ca 0.04 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 8fab s THR 196 Cb -0.14 -3.33 0.04 0.00 0.01 0.00 0.00 72.50 69.08 8fab s THR 196 CO -0.12 0.58 0.12 -2.28 -0.69 0.00 0.00 174.62 172.23 8fab s HIS 197 N -0.67 -0.08 -1.46 4.92 2.46 -0.29 -1.73 115.29 118.43 8fab s HIS 197 Ca 0.13 0.42 -0.06 0.00 0.47 0.00 0.00 55.06 56.02 8fab s HIS 197 Cb -0.12 -0.37 0.05 0.00 -0.13 0.00 0.00 32.58 32.01 8fab s HIS 197 CO 0.02 -0.27 0.66 0.39 -2.47 0.00 0.00 174.74 173.07 8fab n GLU 198 N 5.31 -4.07 0.00 2.88 -0.58 -1.26 -2.05 120.64 120.87 8fab n GLU 198 Ca -0.04 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 8fab n GLU 198 Cb 0.50 -4.96 0.00 0.00 -0.57 0.00 0.00 31.44 26.40 8fab n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 8fab n GLY 199 N -1.73 1.71 3.78 0.62 0.00 -1.26 -5.00 105.19 103.30 8fab n GLY 199 Ca -0.17 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 8fab n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 8fab s SER 200 N 0.04 7.15 -0.17 1.61 0.01 -0.87 -5.03 113.70 116.44 8fab s SER 200 Ca 0.00 1.91 -0.01 0.00 1.31 0.00 0.00 55.95 59.17 8fab s SER 200 Cb 0.00 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 8fab s SER 200 CO 0.00 -0.21 -0.13 -0.89 0.41 0.00 0.00 173.24 172.42 8fab s THR 201 N -1.63 2.81 -0.16 1.44 2.01 -1.26 -1.14 115.64 117.71 8fab s THR 201 Ca 0.53 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 8fab s THR 201 Cb -0.20 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 8fab s THR 201 CO 0.25 0.50 0.15 -0.69 -0.69 0.00 0.00 174.62 174.14 8fab s VAL 202 N 0.99 5.43 0.04 3.82 1.01 0.11 -4.93 120.40 126.86 8fab s VAL 202 Ca -0.02 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.24 8fab s VAL 202 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 8fab s VAL 202 CO -0.02 0.50 -0.10 -0.70 0.00 0.00 0.00 175.10 174.78 8fab s GLU 203 N -0.16 0.69 0.08 2.72 2.12 -1.26 -1.10 118.70 121.78 8fab s GLU 203 Ca 0.12 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.82 8fab s GLU 203 Cb -0.12 -0.61 -0.03 0.00 0.26 0.00 0.00 34.13 33.64 8fab s GLU 203 CO 0.01 0.14 -0.16 0.15 -0.54 0.00 0.00 175.26 174.86 8fab s LYS 204 N -1.20 0.91 0.04 4.30 3.01 -0.73 -4.99 119.74 121.07 8fab s LYS 204 Ca -0.03 -0.99 0.05 0.00 -1.01 0.00 0.00 55.97 53.99 8fab s LYS 204 Cb -0.08 -0.97 -0.02 0.00 -1.01 0.00 0.00 37.83 35.75 8fab s LYS 204 CO 0.01 0.22 -0.13 0.99 0.51 0.00 0.00 175.35 176.95 8fab s THR 205 N -1.21 1.06 0.04 2.17 2.01 -1.26 -0.73 115.64 117.72 8fab s THR 205 Ca 0.00 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.07 8fab s THR 205 Cb -0.10 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 8fab s THR 205 CO 0.03 -0.01 -0.12 0.68 -0.69 0.00 0.00 174.62 174.51 8fab s VAL 206 N -0.85 0.90 -0.00 3.82 -7.23 -0.26 -4.98 120.40 111.80 8fab s VAL 206 Ca 0.01 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 8fab s VAL 206 Cb -0.08 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 8fab s VAL 206 CO 0.01 -0.14 -0.24 0.00 -0.31 0.00 0.00 175.10 174.42 8fab s ALA 207 N -1.03 1.98 -2.00 1.32 0.00 -1.26 -1.16 121.76 119.61 8fab s ALA 207 Ca -0.02 -1.06 0.13 0.00 0.00 0.00 0.00 51.96 51.01 8fab s ALA 207 Cb -0.08 -0.48 0.76 0.00 0.00 0.00 0.00 23.12 23.31 8fab s ALA 207 CO 0.01 0.48 1.19 -0.35 0.00 0.00 0.00 175.76 177.09