#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kts n VAL 2 N 0.00 1.46 -4.41 1.12 0.31 -1.26 -5.02 118.33 110.53 2kts n VAL 2 Ca 0.00 -0.37 -0.21 0.00 -0.01 0.00 0.00 64.34 63.76 2kts n VAL 2 Cb 0.00 -1.97 -0.10 0.00 -0.91 0.00 0.00 33.84 30.86 2kts n VAL 2 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2kts s THR 3 N -0.50 1.84 0.10 2.52 -4.23 -1.26 -4.75 115.64 109.36 2kts s THR 3 Ca 0.59 -2.20 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 2kts s THR 3 Cb -0.49 -2.30 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 2kts s THR 3 CO 0.55 -0.41 1.37 1.55 -0.54 0.00 0.00 174.62 177.14 2kts h PRO 4 N 2.36 0.74 -0.51 3.99 0.13 -1.96 -3.33 132.00 133.42 2kts h PRO 4 Ca -0.39 -0.46 -0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2kts h PRO 4 Cb 1.23 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2kts h PRO 4 CO 0.64 1.09 0.30 1.49 -0.23 0.00 0.00 178.00 181.30 2kts h GLU 5 N 0.47 0.70 -0.07 0.86 4.22 -1.98 -1.96 114.58 116.82 2kts h GLU 5 Ca 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2kts h GLU 5 Cb 1.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kts h GLU 5 CO 0.10 0.51 0.00 0.00 -2.18 0.00 0.00 179.01 177.45 2kts n GLN 6 N -4.68 0.27 0.00 1.92 10.64 -1.25 -3.00 117.38 121.28 2kts n GLN 6 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 2kts n GLN 6 Cb 0.06 -1.04 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 2kts n GLN 6 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2kts n LEU 7 N -0.27 0.60 0.00 2.61 4.77 -0.79 -4.76 117.00 119.15 2kts n LEU 7 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2kts n LEU 7 Cb 0.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2kts n LEU 7 CO 0.00 -0.05 0.41 0.00 -1.33 0.00 0.00 177.39 176.41 2kts n GLN 8 N -2.38 0.07 -0.15 3.23 6.02 -0.85 -1.16 117.38 122.16 2kts n GLN 8 Ca 0.00 0.14 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2kts n GLN 8 Cb 0.23 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.00 2kts n GLN 8 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kts n HIS 9 N -1.15 0.00 -3.80 1.08 8.25 -1.26 -3.96 115.22 114.37 2kts n HIS 9 Ca 0.02 -0.16 -0.29 0.00 -0.26 0.00 0.00 57.72 57.03 2kts n HIS 9 Cb 0.02 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 30.94 2kts n HIS 9 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kts s HIS 10 N -0.39 1.61 0.77 4.41 3.76 -0.31 -5.09 115.29 120.05 2kts s HIS 10 Ca 0.03 -1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 53.51 2kts s HIS 10 Cb 0.02 -1.34 0.05 0.00 1.11 0.00 0.00 32.58 32.43 2kts s HIS 10 CO 0.00 -0.71 1.09 -0.98 -0.85 0.00 0.00 174.74 173.29 2kts s ARG 11 N 1.66 2.32 0.02 1.40 1.70 -1.26 -4.56 118.95 120.22 2kts s ARG 11 Ca -0.01 0.74 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 2kts s ARG 11 Cb -0.18 -1.94 -0.01 0.00 -0.57 0.00 0.00 34.95 32.25 2kts s ARG 11 CO -0.10 -1.48 -0.03 -0.06 -1.08 0.00 0.00 175.30 172.54 2kts s PHE 12 N -3.12 0.26 -0.08 5.89 0.40 -0.52 -4.40 117.98 116.42 2kts s PHE 12 Ca 0.60 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 2kts s PHE 12 Cb -0.14 -0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.18 2kts s PHE 12 CO 0.54 -0.12 -0.10 0.54 0.70 0.00 0.00 175.22 176.79 2kts s VAL 13 N -0.99 3.37 0.02 -0.44 0.11 -0.52 -0.45 120.40 121.50 2kts s VAL 13 Ca -0.10 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.06 2kts s VAL 13 Cb -0.07 -2.38 -0.08 0.00 -1.53 0.00 0.00 36.38 32.33 2kts s VAL 13 CO -0.00 0.57 1.74 -0.22 -3.33 0.00 0.00 175.10 173.86 2kts s LEU 14 N -0.45 4.37 -0.20 2.54 2.96 -1.11 -0.68 118.68 126.11 2kts s LEU 14 Ca 0.06 2.45 -0.10 0.00 -0.22 0.00 0.00 54.13 56.32 2kts s LEU 14 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 2kts s LEU 14 CO 0.02 -0.95 -0.26 1.21 -1.32 0.00 0.00 176.35 175.05 2kts n GLU 15 N 6.64 0.42 -3.69 1.98 0.00 -0.47 -4.83 120.64 120.70 2kts n GLU 15 Ca 0.17 0.19 -0.14 0.00 0.00 0.00 0.00 57.16 57.39 2kts n GLU 15 Cb 0.41 -1.21 -0.14 0.00 0.00 0.00 0.00 31.44 30.51 2kts n GLU 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2kts s SER 16 N -6.78 0.15 0.85 4.31 1.04 -0.65 -3.72 113.70 108.90 2kts s SER 16 Ca -0.28 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 2kts s SER 16 Cb 0.11 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.84 2kts s SER 16 CO 0.35 -0.21 1.12 -0.69 0.98 0.00 0.00 173.24 174.79 2kts s VAL 17 N 1.91 2.66 0.30 5.02 1.01 0.17 -1.29 120.40 130.19 2kts s VAL 17 Ca -0.03 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2kts s VAL 17 Cb -0.11 -2.46 0.32 0.00 0.00 0.00 0.00 36.38 34.13 2kts s VAL 17 CO -0.08 -0.28 1.65 -1.13 0.00 0.00 0.00 175.10 175.25 2kts h ASN 18 N -1.52 0.12 0.35 3.32 -1.24 -1.88 -3.15 115.58 111.58 2kts h ASN 18 Ca -0.43 0.20 -0.32 0.00 0.71 0.00 0.00 56.30 56.46 2kts h ASN 18 Cb 1.25 0.24 -0.04 0.00 0.73 0.00 0.00 38.32 40.50 2kts h ASN 18 CO 0.46 -0.16 -1.83 0.61 -1.29 0.00 0.00 177.43 175.22 2kts n GLY 19 N -1.36 -0.84 3.66 1.57 0.00 -1.26 -5.03 105.19 101.94 2kts n GLY 19 Ca 0.25 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2kts n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kts s LYS 20 N -2.58 1.44 1.39 1.61 1.02 -1.19 -5.17 119.74 116.26 2kts s LYS 20 Ca -0.11 -0.70 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 2kts s LYS 20 Cb 0.07 0.55 0.36 0.00 -0.52 0.00 0.00 37.83 38.29 2kts s LYS 20 CO 0.80 -0.65 0.97 -0.35 -0.92 0.00 0.00 175.35 175.21 2kts n PRO 21 N -0.41 -4.24 -4.37 -1.68 -0.04 -1.26 -0.65 135.00 122.34 2kts n PRO 21 Ca -0.09 -1.60 -0.20 0.00 -0.04 0.00 0.00 63.50 61.57 2kts n PRO 21 Cb 0.61 -1.82 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 2kts n PRO 21 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kts s VAL 22 N -2.48 1.10 -0.17 0.52 1.01 -1.24 -4.67 120.40 114.46 2kts s VAL 22 Ca 0.70 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2kts s VAL 22 Cb -0.10 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.36 2kts s VAL 22 CO 0.56 0.02 0.18 0.42 0.00 0.00 0.00 175.10 176.28 2kts s THR 23 N -0.82 -0.26 -0.31 3.92 -4.23 -1.26 -4.98 115.64 107.70 2kts s THR 23 Ca 0.02 -0.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.64 2kts s THR 23 Cb -0.08 -0.59 0.47 0.00 1.34 0.00 0.00 72.50 73.65 2kts s THR 23 CO 0.01 -0.16 1.06 -1.20 -0.54 0.00 0.00 174.62 173.79 2kts n SER 24 N 5.31 2.47 0.00 3.99 7.64 -1.26 -5.06 113.62 126.71 2kts n SER 24 Ca -0.06 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2kts n SER 24 Cb 0.49 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2kts n SER 24 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kts n ASP 25 N -0.40 0.00 0.00 6.43 9.92 -1.26 -0.53 116.55 130.71 2kts n ASP 25 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2kts n ASP 25 Cb 0.81 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.29 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2kts n LYS 26 N 0.00 0.00 -3.39 -1.24 4.81 -1.26 -4.99 118.16 112.08 2kts n LYS 26 Ca 0.00 -0.21 -0.27 0.00 -0.87 0.00 0.00 58.31 56.96 2kts n LYS 26 Cb 0.00 -0.41 -0.08 0.00 0.02 0.00 0.00 35.03 34.56 2kts n LYS 26 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kts n ASN 27 N 0.00 3.34 -4.80 3.14 3.02 0.31 -5.10 115.26 115.18 2kts n ASN 27 Ca 0.00 -3.36 -0.31 0.00 -0.03 0.00 0.00 54.58 50.88 2kts n ASN 27 Cb 0.38 -0.67 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kts s PRO 28 N -2.33 2.54 -0.63 3.52 0.04 -1.26 -4.80 135.00 132.08 2kts s PRO 28 Ca 0.39 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 2kts s PRO 28 Cb 0.15 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.63 2kts s PRO 28 CO -0.02 -1.39 1.83 -0.35 0.04 0.00 0.00 177.00 177.10 2kts n PRO 29 N -3.33 1.34 -1.37 0.56 -0.04 -1.26 -4.91 135.00 125.99 2kts n PRO 29 Ca 0.08 -1.42 -0.29 0.00 -0.04 0.00 0.00 63.50 61.84 2kts n PRO 29 Cb 0.54 -2.57 0.16 0.00 -0.04 0.00 0.00 33.50 31.59 2kts n PRO 29 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kts s GLU 30 N 4.62 0.76 0.01 0.54 -1.05 -1.26 -2.75 118.70 119.57 2kts s GLU 30 Ca 0.44 0.37 -0.03 0.00 -0.15 0.00 0.00 54.97 55.60 2kts s GLU 30 Cb 0.11 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 32.00 2kts s GLU 30 CO 0.07 -2.47 0.04 -1.50 0.95 0.00 0.00 175.26 172.34 2kts s ILE 31 N -3.14 0.09 0.17 1.83 2.07 0.40 -3.22 121.20 119.41 2kts s ILE 31 Ca 0.65 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 59.14 2kts s ILE 31 Cb -0.16 -0.31 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 2kts s ILE 31 CO 0.55 -0.42 0.00 -0.55 -1.91 0.00 0.00 174.94 172.61 2kts s SER 32 N -1.33 1.23 0.23 4.50 0.15 -0.20 -1.43 113.70 116.85 2kts s SER 32 Ca -0.14 -1.17 0.02 0.00 0.70 0.00 0.00 55.95 55.36 2kts s SER 32 Cb -0.08 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.29 2kts s SER 32 CO -0.00 -0.57 0.04 -0.36 1.20 0.00 0.00 173.24 173.55 2kts s PHE 33 N -3.65 1.49 0.02 3.44 0.08 -1.26 -1.88 117.98 116.22 2kts s PHE 33 Ca 0.24 -1.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.23 2kts s PHE 33 Cb 0.06 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2kts s PHE 33 CO 0.04 -0.18 0.07 0.41 -0.10 0.00 0.00 175.22 175.45 2kts n GLY 34 N -0.41 1.42 3.36 4.36 0.00 -0.46 -4.58 105.19 108.88 2kts n GLY 34 Ca -0.03 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2kts n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kts n GLU 35 N -0.05 0.27 -1.26 1.61 0.00 -1.26 -1.43 120.64 118.53 2kts n GLU 35 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 57.16 57.17 2kts n GLU 35 Cb 0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.11 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2kts n LYS 36 N 0.77 -1.27 -1.68 5.31 4.76 -1.26 -2.65 118.16 122.15 2kts n LYS 36 Ca 0.10 0.76 -0.21 0.00 -2.87 0.00 0.00 58.31 56.09 2kts n LYS 36 Cb 0.46 -4.91 -0.08 0.00 -1.84 0.00 0.00 35.03 28.66 2kts n LYS 36 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kts n MET 37 N -1.44 -1.48 -0.74 1.97 2.81 -0.69 -4.61 117.12 112.94 2kts n MET 37 Ca -0.09 1.20 -0.31 0.00 -1.81 0.00 0.00 57.70 56.69 2kts n MET 37 Cb 0.46 -5.61 0.16 0.00 -0.71 0.00 0.00 33.22 27.51 2kts n MET 37 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 2kts s MET 38 N -3.88 1.12 -0.02 0.03 1.75 -0.51 -2.91 119.30 114.88 2kts s MET 38 Ca 0.00 1.52 0.03 0.00 -1.25 0.00 0.00 55.69 55.99 2kts s MET 38 Cb 0.00 -1.74 -0.00 0.00 2.84 0.00 0.00 34.83 35.92 2kts s MET 38 CO 0.00 -2.55 -0.10 0.42 -0.65 0.00 0.00 175.02 172.13 2kts s ILE 39 N -2.67 0.85 -0.03 10.11 1.01 -0.43 -1.36 121.20 128.68 2kts s ILE 39 Ca 0.66 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.89 2kts s ILE 39 Cb -0.22 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.54 2kts s ILE 39 CO 0.58 0.25 -0.03 -0.44 0.00 0.00 0.00 174.94 175.29 2kts s SER 40 N -0.09 0.67 0.30 3.58 0.01 -0.79 -1.75 113.70 115.63 2kts s SER 40 Ca 0.01 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 2kts s SER 40 Cb -0.06 -0.27 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2kts s SER 40 CO -0.00 -0.03 0.68 -0.83 0.41 0.00 0.00 173.24 173.47 2kts s GLY 41 N 0.63 0.20 -0.44 3.44 0.00 -0.83 -1.03 107.32 109.28 2kts s GLY 41 Ca -0.07 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.14 2kts s GLY 41 CO -0.00 -0.28 0.66 -1.14 0.00 0.00 0.00 173.10 172.33 2kts n SER 42 N -0.70 -1.44 0.29 1.64 3.41 -1.20 -0.71 113.62 114.92 2kts n SER 42 Ca -0.04 -2.91 -0.14 0.00 -0.26 0.00 0.00 58.87 55.52 2kts n SER 42 Cb 0.60 0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 65.03 2kts n SER 42 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2kts h MET 43 N 4.29 -0.75 0.00 4.33 2.86 -1.88 -3.37 114.93 120.41 2kts h MET 43 Ca 0.01 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2kts h MET 43 Cb 0.96 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2kts h MET 43 CO 0.35 -0.45 0.00 0.00 1.06 0.00 0.00 176.91 177.88 2kts n ASN 45 N -3.23 0.00 -1.55 0.00 3.02 -1.26 -4.90 115.26 107.34 2kts n ASN 45 Ca 0.00 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 2kts n ASN 45 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kts n ARG 46 N -0.64 -3.80 -4.10 3.52 5.12 -1.26 -0.91 116.66 114.59 2kts n ARG 46 Ca 0.05 2.95 -0.11 0.00 -1.93 0.00 0.00 57.85 58.81 2kts n ARG 46 Cb 0.02 -3.75 -0.08 0.00 -1.16 0.00 0.00 32.46 27.50 2kts n ARG 46 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2kts s PHE 47 N -5.31 0.76 0.15 -1.55 -0.71 0.11 -3.76 117.98 107.68 2kts s PHE 47 Ca 0.00 -1.05 -0.24 0.00 -1.04 0.00 0.00 56.93 54.60 2kts s PHE 47 Cb 0.00 -0.18 0.07 0.00 -1.21 0.00 0.00 43.02 41.70 2kts s PHE 47 CO 0.00 -0.82 0.69 -1.54 -1.34 0.00 0.00 175.22 172.20 2kts s SER 48 N -3.09 -0.47 0.00 1.98 1.04 -0.87 -1.97 113.70 110.32 2kts s SER 48 Ca 0.31 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2kts s SER 48 Cb 0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2kts s SER 48 CO 0.11 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2kts n GLY 49 N -0.37 0.91 3.55 7.32 0.00 -0.72 -1.81 105.19 114.08 2kts n GLY 49 Ca -0.13 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2kts n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kts s GLU 50 N -2.00 3.39 1.10 1.61 2.02 -1.12 -1.31 118.70 122.39 2kts s GLU 50 Ca 0.00 -0.70 -0.15 0.00 0.02 0.00 0.00 54.97 54.14 2kts s GLU 50 Cb 0.00 -4.77 0.24 0.00 0.10 0.00 0.00 34.13 29.69 2kts s GLU 50 CO 0.00 -2.17 1.10 0.20 0.02 0.00 0.00 175.26 174.41 2kts s GLY 51 N 4.35 1.57 0.04 -1.39 0.00 -1.15 -0.66 107.32 110.08 2kts s GLY 51 Ca 0.40 -0.63 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 2kts s GLY 51 CO 0.02 0.11 0.36 1.25 0.00 0.00 0.00 173.10 174.84 2kts s LYS 52 N -5.15 0.85 -0.18 2.90 2.20 -1.22 -4.46 119.74 114.68 2kts s LYS 52 Ca 0.68 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.84 2kts s LYS 52 Cb -0.15 0.38 0.09 0.00 -1.51 0.00 0.00 37.83 36.64 2kts s LYS 52 CO 0.57 -0.28 0.34 -1.17 -0.36 0.00 0.00 175.35 174.45 2kts s LEU 53 N -1.95 -0.47 0.00 5.43 1.98 -1.26 -4.34 118.68 118.07 2kts s LEU 53 Ca -0.06 0.63 0.00 0.00 -2.89 0.00 0.00 54.13 51.81 2kts s LEU 53 Cb -0.01 0.99 0.00 0.00 0.66 0.00 0.00 46.19 47.83 2kts s LEU 53 CO -0.02 -0.25 0.00 -0.24 -1.89 0.00 0.00 176.35 173.95 2kts n SER 54 N 5.37 0.00 0.00 3.68 2.88 -1.26 -4.71 113.62 119.57 2kts n SER 54 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2kts n SER 54 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2kts n SER 54 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2kts n ASN 55 N -0.31 0.00 0.00 -3.46 5.15 -1.26 -5.01 115.26 110.37 2kts n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2kts n ASN 55 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kts n GLY 56 N 0.00 0.58 3.21 8.20 0.00 -1.26 -4.93 105.19 110.99 2kts n GLY 56 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kts n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kts s GLU 57 N 0.00 2.75 -0.67 1.61 2.12 -1.26 -0.56 118.70 122.69 2kts s GLU 57 Ca 0.00 -1.04 -0.18 0.00 0.36 0.00 0.00 54.97 54.10 2kts s GLU 57 Cb 0.00 -3.08 0.12 0.00 0.26 0.00 0.00 34.13 31.43 2kts s GLU 57 CO 0.00 -0.47 0.78 -1.17 -0.54 0.00 0.00 175.26 173.87 2kts s LEU 58 N 1.33 5.47 -0.12 2.70 2.96 0.13 -4.46 118.68 126.68 2kts s LEU 58 Ca -0.01 -1.66 -0.08 0.00 -0.22 0.00 0.00 54.13 52.16 2kts s LEU 58 Cb -0.18 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2kts s LEU 58 CO -0.03 -1.06 0.17 0.42 -1.32 0.00 0.00 176.35 174.53 2kts s THR 59 N 2.44 5.45 -0.45 3.68 -4.23 -1.26 -2.01 115.64 119.26 2kts s THR 59 Ca 0.16 0.27 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 2kts s THR 59 Cb -0.19 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.24 2kts s THR 59 CO 0.02 0.60 0.56 0.00 -0.54 0.00 0.00 174.62 175.26 2kts s ALA 60 N -0.90 3.39 -1.15 3.99 0.00 -0.04 -3.38 121.76 123.68 2kts s ALA 60 Ca 0.15 -1.48 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 2kts s ALA 60 Cb -0.12 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2kts s ALA 60 CO 0.04 -1.78 2.03 1.17 0.00 0.00 0.00 175.76 177.23 2kts n LYS 61 N 5.99 2.25 0.00 0.00 4.81 0.17 -4.28 118.16 127.09 2kts n LYS 61 Ca -0.05 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 2kts n LYS 61 Cb 0.47 -3.21 0.00 0.00 0.02 0.00 0.00 35.03 32.31 2kts n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kts n GLY 62 N 4.56 0.77 3.93 3.14 0.00 -1.26 -4.10 105.19 112.23 2kts n GLY 62 Ca 0.50 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2kts n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kts s LEU 63 N 0.00 3.67 -0.12 0.99 2.96 -1.26 -2.79 118.68 122.13 2kts s LEU 63 Ca 0.00 0.62 -0.19 0.00 -0.22 0.00 0.00 54.13 54.34 2kts s LEU 63 Cb 0.00 -3.51 0.05 0.00 0.50 0.00 0.00 46.19 43.23 2kts s LEU 63 CO 0.00 -0.61 0.48 0.00 -1.32 0.00 0.00 176.35 174.90 2kts s ALA 64 N -2.62 -1.21 0.21 5.97 0.00 -0.75 -4.97 121.76 118.39 2kts s ALA 64 Ca 0.47 1.12 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 2kts s ALA 64 Cb -0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2kts s ALA 64 CO 0.41 -0.26 0.28 -1.64 0.00 0.00 0.00 175.76 174.55 2kts s MET 65 N -0.37 1.32 0.14 0.00 -1.94 -1.26 -2.04 119.30 115.14 2kts s MET 65 Ca -0.05 -1.42 0.02 0.00 -1.71 0.00 0.00 55.69 52.52 2kts s MET 65 Cb -0.03 0.36 0.02 0.00 2.01 0.00 0.00 34.83 37.18 2kts s MET 65 CO 0.03 -0.49 0.14 0.25 -0.01 0.00 0.00 175.02 174.95 2kts n THR 66 N -0.30 0.00 -3.68 2.05 -2.24 -0.09 -5.04 114.28 104.98 2kts n THR 66 Ca -0.01 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 2kts n THR 66 Cb 0.64 -0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 2kts n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kts n ARG 67 N -1.04 1.99 -3.28 -0.78 1.74 -1.26 -4.86 116.66 109.16 2kts n ARG 67 Ca 0.02 -4.47 -0.21 0.00 -0.77 0.00 0.00 57.85 52.41 2kts n ARG 67 Cb 0.15 -2.22 0.04 0.00 -1.02 0.00 0.00 32.46 29.41 2kts n ARG 67 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2kts s MET 68 N -1.77 2.30 0.25 5.56 -1.94 -1.26 -5.11 119.30 117.33 2kts s MET 68 Ca 0.31 -1.74 0.01 0.00 -1.71 0.00 0.00 55.69 52.56 2kts s MET 68 Cb 0.04 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 2kts s MET 68 CO -0.11 -0.78 0.14 -1.64 -0.01 0.00 0.00 175.02 172.62 2kts s MET 69 N -4.55 1.40 0.00 2.03 -1.94 -1.26 -4.79 119.30 110.19 2kts s MET 69 Ca 0.54 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 2kts s MET 69 Cb -0.05 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.81 2kts s MET 69 CO 0.34 -0.39 0.42 0.00 -0.01 0.00 0.00 175.02 175.37 2kts n ALA 71 N 0.00 0.00 -2.44 0.00 0.00 -1.26 -4.96 120.51 111.86 2kts n ALA 71 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2kts n ALA 71 Cb 0.48 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 2kts n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kts s ASN 72 N -2.09 3.23 0.03 0.00 4.22 -1.26 -5.07 114.94 114.00 2kts s ASN 72 Ca 0.00 -0.94 -0.17 0.00 -2.14 0.00 0.00 52.86 49.61 2kts s ASN 72 Cb 0.00 -0.24 -0.27 0.00 1.28 0.00 0.00 41.25 42.02 2kts s ASN 72 CO 0.00 0.03 1.08 1.55 -2.04 0.00 0.00 177.10 177.72 2kts h PRO 73 N 2.81 0.53 -0.23 3.55 0.13 -1.99 -3.36 132.00 133.44 2kts h PRO 73 Ca -0.42 -0.67 0.04 0.00 -0.87 0.00 0.00 66.00 64.07 2kts h PRO 73 Cb 1.23 0.22 -0.07 0.00 0.13 0.00 0.00 31.00 32.51 2kts h PRO 73 CO 0.54 1.28 -0.52 0.37 -0.23 0.00 0.00 178.00 179.44 2kts h GLN 74 N 0.09 -0.47 -0.96 0.86 4.15 -1.99 -1.16 115.11 115.64 2kts h GLN 74 Ca -0.14 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.41 2kts h GLN 74 Cb 1.69 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 29.41 2kts h GLN 74 CO 0.19 -0.31 0.59 -0.07 -1.93 0.00 0.00 178.83 177.30 2kts h LEU 75 N -0.49 0.89 -0.72 -2.39 3.38 -1.86 -0.26 115.31 113.86 2kts h LEU 75 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kts h LEU 75 Cb 0.61 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kts h LEU 75 CO -0.47 0.51 0.00 -1.13 0.09 0.00 0.00 178.44 177.44 2kts h ASN 76 N 0.99 0.00 0.34 -0.43 -1.24 -1.41 -3.08 115.58 110.74 2kts h ASN 76 Ca 0.46 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.15 2kts h ASN 76 Cb 0.37 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 2kts h ASN 76 CO -0.24 0.00 -1.90 1.21 -1.29 0.00 0.00 177.43 175.21 2kts n GLU 77 N -3.08 0.66 0.29 6.67 2.13 -0.55 -4.39 120.64 122.36 2kts n GLU 77 Ca 0.02 0.23 0.14 0.00 0.66 0.00 0.00 57.16 58.21 2kts n GLU 77 Cb 0.42 -1.72 0.85 0.00 0.27 0.00 0.00 31.44 31.26 2kts n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kts h LEU 78 N 0.01 0.00 -0.72 4.31 4.07 -0.99 -0.88 115.31 121.11 2kts h LEU 78 Ca -0.36 0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.66 2kts h LEU 78 Cb 2.06 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.74 2kts h LEU 78 CO 0.07 0.03 0.41 0.44 -1.08 0.00 0.00 178.44 178.31 2kts h ASP 79 N 0.00 0.61 0.47 -0.43 3.32 -1.76 -2.21 116.42 116.42 2kts h ASP 79 Ca -0.00 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 2kts h ASP 79 Cb 0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2kts h ASP 79 CO 0.00 0.39 -0.66 0.78 -1.72 0.00 0.00 179.24 178.03 2kts h ASN 80 N 0.74 0.20 0.28 6.45 2.35 -1.42 -1.42 115.58 122.77 2kts h ASN 80 Ca 0.32 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2kts h ASN 80 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2kts h ASN 80 CO -0.19 0.80 -0.22 0.74 -1.65 0.00 0.00 177.43 176.91 2kts h THR 81 N 0.12 0.53 -0.45 2.81 2.02 -1.46 -1.42 112.91 115.07 2kts h THR 81 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 2kts h THR 81 Cb 1.18 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2kts h THR 81 CO 0.10 0.00 -0.01 -0.29 0.37 0.00 0.00 175.52 175.69 2kts h ILE 82 N -0.51 1.24 -0.03 3.11 6.09 -1.27 -0.80 117.51 125.33 2kts h ILE 82 Ca -0.02 -0.97 0.02 0.00 -1.37 0.00 0.00 64.86 62.52 2kts h ILE 82 Cb 0.45 0.91 -0.03 0.00 0.47 0.00 0.00 36.82 38.61 2kts h ILE 82 CO -0.01 0.34 -0.12 0.28 -3.07 0.00 0.00 178.15 175.57 2kts h SER 83 N 0.69 -0.35 0.26 2.19 0.02 -1.09 -1.36 113.55 113.90 2kts h SER 83 Ca 0.14 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2kts h SER 83 Cb 0.44 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2kts h SER 83 CO 0.02 -0.17 -0.27 -0.33 -1.14 0.00 0.00 176.83 174.94 2kts h GLU 84 N -0.18 -0.54 -0.79 3.45 4.39 -0.95 -2.01 114.58 117.94 2kts h GLU 84 Ca 0.05 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kts h GLU 84 Cb 0.26 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2kts h GLU 84 CO -0.14 -0.36 0.47 0.52 -1.16 0.00 0.00 179.01 178.34 2kts h MET 85 N -0.56 1.08 0.00 2.33 2.86 -0.93 -0.64 114.93 119.06 2kts h MET 85 Ca -0.01 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2kts h MET 85 Cb 0.53 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2kts h MET 85 CO -0.07 0.76 -0.05 -0.07 1.06 0.00 0.00 176.91 178.55 2kts h LEU 86 N 1.09 0.00 0.18 1.22 -0.00 -1.23 0.29 115.31 116.86 2kts h LEU 86 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 2kts h LEU 86 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2kts h LEU 86 CO -0.05 0.05 -0.09 0.50 -0.00 0.00 0.00 178.44 178.85 2kts h LYS 87 N 0.00 -0.23 -0.05 1.13 3.64 -0.47 -0.08 116.57 120.51 2kts h LYS 87 Ca -0.00 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 2kts h LYS 87 Cb 0.91 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2kts h LYS 87 CO 0.01 0.18 -0.75 1.05 -2.27 0.00 0.00 179.45 177.66 2kts h GLU 88 N -0.87 0.30 0.00 1.90 4.11 -1.05 -3.45 114.58 115.52 2kts h GLU 88 Ca -0.02 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2kts h GLU 88 Cb 0.51 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2kts h GLU 88 CO 0.04 0.92 0.00 0.41 0.07 0.00 0.00 179.01 180.45 2kts n GLY 89 N 0.59 1.48 3.66 1.06 0.00 -0.05 -5.01 105.19 106.92 2kts n GLY 89 Ca -0.04 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2kts n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kts s ALA 90 N 0.00 3.58 -0.33 4.61 0.00 -0.40 -4.73 121.76 124.49 2kts s ALA 90 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2kts s ALA 90 Cb 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.40 2kts s ALA 90 CO 0.00 -1.43 1.09 -0.65 0.00 0.00 0.00 175.76 174.78 2kts s GLN 91 N 4.01 4.04 -0.40 0.00 -1.52 -1.26 -0.70 119.66 123.84 2kts s GLN 91 Ca 0.69 1.06 -0.12 0.00 -1.95 0.00 0.00 55.36 55.04 2kts s GLN 91 Cb -0.30 -3.75 0.04 0.00 -0.22 0.00 0.00 33.01 28.78 2kts s GLN 91 CO 0.26 -0.94 0.25 0.08 -0.25 0.00 0.00 175.29 174.70 2kts s VAL 92 N 3.73 4.71 -0.91 1.09 1.01 0.28 -2.26 120.40 128.05 2kts s VAL 92 Ca 0.46 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2kts s VAL 92 Cb -0.12 -3.69 0.29 0.00 0.00 0.00 0.00 36.38 32.86 2kts s VAL 92 CO 0.17 -0.33 1.25 -0.67 0.00 0.00 0.00 175.10 175.51 2kts n ASP 93 N 5.04 5.56 -4.60 3.32 -0.08 0.83 -4.83 116.55 121.79 2kts n ASP 93 Ca -0.11 -3.47 -0.43 0.00 -1.51 0.00 0.00 54.79 49.27 2kts n ASP 93 Cb 0.45 -1.03 -0.02 0.00 2.34 0.00 0.00 41.12 42.86 2kts n ASP 93 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2kts s LEU 94 N -2.88 3.58 0.00 -2.67 1.98 -1.26 -0.93 118.68 116.51 2kts s LEU 94 Ca 0.36 0.77 0.00 0.00 -2.89 0.00 0.00 54.13 52.37 2kts s LEU 94 Cb 0.11 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.42 2kts s LEU 94 CO 0.04 -1.42 0.00 1.07 -1.89 0.00 0.00 176.35 174.14 2kts n THR 95 N 7.06 0.00 -0.33 3.68 5.66 -0.26 -4.69 114.28 125.41 2kts n THR 95 Ca 0.16 0.00 0.22 0.00 -3.05 0.00 0.00 64.05 61.38 2kts n THR 95 Cb 0.48 -1.52 0.44 0.00 -1.55 0.00 0.00 70.33 68.18 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kts h ALA 96 N -1.26 1.83 0.00 1.79 0.00 -2.04 -3.35 119.26 116.23 2kts h ALA 96 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2kts h ALA 96 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kts h ALA 96 CO 0.00 -0.56 0.00 0.27 0.00 0.00 0.00 179.25 178.96 2kts n ASN 97 N -5.09 0.00 -4.03 0.00 0.23 -1.26 -5.10 115.26 100.01 2kts n ASN 97 Ca 0.30 -0.85 -0.24 0.00 -0.53 0.00 0.00 54.58 53.25 2kts n ASN 97 Cb 0.93 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.47 2kts n ASN 97 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2kts s GLN 98 N 0.00 1.66 0.13 -3.83 0.74 -1.26 -2.18 119.66 114.92 2kts s GLN 98 Ca 0.00 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 2kts s GLN 98 Cb 0.00 -1.38 -0.07 0.00 1.10 0.00 0.00 33.01 32.66 2kts s GLN 98 CO 0.00 0.04 0.90 -1.17 -0.55 0.00 0.00 175.29 174.51 2kts s LEU 99 N 0.62 4.53 -0.02 3.68 0.20 -0.00 -1.10 118.68 126.59 2kts s LEU 99 Ca -0.14 1.74 0.04 0.00 0.69 0.00 0.00 54.13 56.47 2kts s LEU 99 Cb -0.15 -3.50 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 2kts s LEU 99 CO 0.04 0.02 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.08 2kts s THR 100 N -0.34 1.14 0.21 3.68 2.01 -0.10 -1.21 115.64 121.02 2kts s THR 100 Ca 0.43 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.91 2kts s THR 100 Cb -0.23 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2kts s THR 100 CO 0.29 0.33 0.14 -0.76 -0.69 0.00 0.00 174.62 173.93 2kts s LEU 101 N -0.13 3.73 -0.27 4.42 2.01 0.37 -0.12 118.68 128.69 2kts s LEU 101 Ca 0.01 -0.23 -0.02 0.00 0.01 0.00 0.00 54.13 53.90 2kts s LEU 101 Cb -0.08 -2.30 0.16 0.00 0.01 0.00 0.00 46.19 43.98 2kts s LEU 101 CO 0.00 0.02 0.48 0.00 1.01 0.00 0.00 176.35 177.87 2kts s ALA 102 N -1.94 -1.63 0.14 4.21 0.00 -0.96 -2.88 121.76 118.70 2kts s ALA 102 Ca 0.31 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2kts s ALA 102 Cb -0.09 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 2kts s ALA 102 CO 0.23 -1.32 0.01 2.41 0.00 0.00 0.00 175.76 177.09 2kts n THR 103 N 5.39 0.00 -0.25 0.00 -1.04 -0.61 -4.07 114.28 113.71 2kts n THR 103 Ca -0.02 -0.67 0.03 0.00 -2.04 0.00 0.00 64.05 61.36 2kts n THR 103 Cb 0.51 0.15 0.16 0.00 -1.82 0.00 0.00 70.33 69.32 2kts n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts h ALA 104 N 1.09 1.02 0.32 2.41 0.00 -1.96 -3.30 119.26 118.84 2kts h ALA 104 Ca -0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kts h ALA 104 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kts h ALA 104 CO 0.19 -0.13 -0.16 0.87 0.00 0.00 0.00 179.25 180.02 2kts h LYS 105 N 0.52 -0.43 0.00 0.00 1.79 -1.95 -3.49 116.57 113.02 2kts h LYS 105 Ca 0.38 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.91 2kts h LYS 105 Cb 0.50 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2kts h LYS 105 CO -0.33 -0.28 0.14 0.00 -1.08 0.00 0.00 179.45 177.89 2kts n GLN 106 N -3.22 0.22 -3.96 3.15 10.64 -1.24 -5.15 117.38 117.81 2kts n GLN 106 Ca -0.05 -0.47 -0.24 0.00 -1.83 0.00 0.00 57.00 54.41 2kts n GLN 106 Cb 0.18 0.62 -0.03 0.00 -0.86 0.00 0.00 30.24 30.15 2kts n GLN 106 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2kts s THR 107 N -2.52 5.26 -0.08 -0.39 -1.32 -1.26 -1.57 115.64 113.77 2kts s THR 107 Ca 0.06 -0.85 -0.09 0.00 -1.21 0.00 0.00 61.69 59.60 2kts s THR 107 Cb -0.01 -3.79 0.02 0.00 -1.51 0.00 0.00 72.50 67.22 2kts s THR 107 CO 0.02 -0.21 0.24 -0.76 -2.21 0.00 0.00 174.62 171.70 2kts s LEU 108 N -3.60 1.07 -0.08 9.08 1.43 -1.14 -2.54 118.68 122.91 2kts s LEU 108 Ca 0.34 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2kts s LEU 108 Cb -0.10 0.87 0.02 0.00 0.03 0.00 0.00 46.19 47.01 2kts s LEU 108 CO 0.29 -0.14 -0.09 -0.89 0.23 0.00 0.00 176.35 175.75 2kts s THR 109 N -0.10 0.98 0.21 5.49 2.01 -0.41 -0.48 115.64 123.33 2kts s THR 109 Ca -0.02 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 61.73 2kts s THR 109 Cb -0.02 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 2kts s THR 109 CO 0.01 0.33 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.79 2kts s TYR 110 N 1.07 1.89 0.01 4.92 1.51 -0.35 -1.36 117.35 125.04 2kts s TYR 110 Ca -0.07 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 2kts s TYR 110 Cb -0.14 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 2kts s TYR 110 CO -0.01 0.44 -0.02 0.21 -1.11 0.00 0.00 175.55 175.07 2kts s LYS 111 N -3.36 2.69 -1.09 -0.62 2.47 0.15 -0.82 119.74 119.15 2kts s LYS 111 Ca 0.22 -0.67 -0.07 0.00 -1.56 0.00 0.00 55.97 53.89 2kts s LYS 111 Cb -0.03 -2.61 -0.09 0.00 -1.46 0.00 0.00 37.83 33.64 2kts s LYS 111 CO 0.09 0.61 2.60 -0.11 0.16 0.00 0.00 175.35 178.69 2kts n LEU 112 N 1.32 6.46 -3.48 5.43 7.94 -0.93 -1.43 117.00 132.31 2kts n LEU 112 Ca -0.14 -3.48 -0.39 0.00 -1.11 0.00 0.00 56.01 50.88 2kts n LEU 112 Cb 0.53 -1.30 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 2kts n LEU 112 CO 0.34 1.33 2.99 0.00 -1.11 0.00 0.00 177.39 180.94 2kts n ALA 113 N 3.71 6.37 1.06 1.96 0.00 -1.26 -4.77 120.51 127.57 2kts n ALA 113 Ca 0.58 -3.56 0.02 0.00 0.00 0.00 0.00 53.44 50.48 2kts n ALA 113 Cb 0.26 -3.43 0.08 0.00 0.00 0.00 0.00 19.45 16.36 2kts n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kts n ASP 114 N 4.82 1.42 -0.81 0.00 2.03 -1.26 -4.81 116.55 117.95 2kts n ASP 114 Ca 0.64 -2.10 -0.11 0.00 0.52 0.00 0.00 54.79 53.75 2kts n ASP 114 Cb 0.30 -0.31 -0.05 0.00 -0.72 0.00 0.00 41.12 40.34 2kts n ASP 114 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kts n LEU 115 N 0.06 -0.32 -3.97 -2.67 4.77 -1.26 -4.86 117.00 108.74 2kts n LEU 115 Ca 0.06 0.26 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 2kts n LEU 115 Cb 0.29 -2.58 -0.15 0.00 -2.33 0.00 0.00 43.42 38.65 2kts n LEU 115 CO 0.05 -1.00 -0.27 -0.32 -1.33 0.00 0.00 177.39 174.52 2kts s MET 116 N -2.84 1.62 0.00 3.23 1.75 -1.26 -5.26 119.30 116.53 2kts s MET 116 Ca 0.00 -2.11 0.14 0.00 -1.25 0.00 0.00 55.69 52.46 2kts s MET 116 Cb 0.00 -3.17 0.81 0.00 2.84 0.00 0.00 34.83 35.32 2kts s MET 116 CO 0.00 -1.01 1.24 0.09 -0.65 0.00 0.00 175.02 174.69