#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 1.85 -4.51 3.17 3.14 -1.26 -5.02 118.33 115.70 2kts n VAL 2 Ca 0.00 -0.46 -0.24 0.00 -2.96 0.00 0.00 64.34 60.67 2kts n VAL 2 Cb 0.00 -1.79 -0.10 0.00 -1.06 0.00 0.00 33.84 30.88 2kts n VAL 2 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2kts s THR 3 N -0.94 2.04 0.07 1.55 -4.23 -1.26 -4.88 115.64 107.98 2kts s THR 3 Ca 0.56 -2.17 -0.24 0.00 -1.18 0.00 0.00 61.69 58.65 2kts s THR 3 Cb -0.52 -2.59 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 2kts s THR 3 CO 0.61 -0.23 1.64 1.55 -0.54 0.00 0.00 174.62 177.65 2kts h PRO 4 N 2.10 -0.08 -0.98 3.99 0.13 -1.96 -3.32 132.00 131.89 2kts h PRO 4 Ca -0.41 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 2kts h PRO 4 Cb 1.24 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 2kts h PRO 4 CO 0.70 0.03 0.62 1.49 -0.23 0.00 0.00 178.00 180.60 2kts h GLU 5 N -0.17 0.97 -0.31 0.86 4.81 -1.97 -1.23 114.58 117.54 2kts h GLU 5 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kts h GLU 5 Cb 0.14 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kts h GLU 5 CO 0.01 0.64 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 2kts n GLN 6 N -4.62 0.66 0.00 1.92 10.64 -1.25 -3.50 117.38 121.23 2kts n GLN 6 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 2kts n GLN 6 Cb 0.32 -1.15 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 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 -0.19 0.57 0.18 2.61 4.77 -0.48 -4.76 117.00 119.70 2kts n LEU 7 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2kts n LEU 7 Cb 0.08 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.46 2kts n LEU 7 CO 0.00 -0.06 0.81 1.56 -1.33 0.00 0.00 177.39 178.37 2kts h GLN 8 N 0.00 0.00 0.00 3.23 7.50 -1.56 -0.84 115.11 123.44 2kts h GLN 8 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kts h GLN 8 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 2kts h GLN 8 CO 0.00 0.00 -0.09 0.72 -1.50 0.00 0.00 178.83 177.96 2kts n HIS 9 N -2.05 0.00 -4.89 2.96 8.25 -1.26 -3.79 115.22 114.44 2kts n HIS 9 Ca -0.01 -0.33 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 2kts n HIS 9 Cb 0.44 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.81 1.69 0.09 4.41 3.76 -0.32 -5.09 115.29 119.02 2kts s HIS 10 Ca 0.05 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 2kts s HIS 10 Cb 0.05 -1.10 -0.06 0.00 1.11 0.00 0.00 32.58 32.58 2kts s HIS 10 CO 0.01 -0.06 0.38 0.50 -0.85 0.00 0.00 174.74 174.71 2kts s ARG 11 N -0.33 3.69 0.09 1.40 3.52 -1.26 -3.84 118.95 122.22 2kts s ARG 11 Ca 0.05 0.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 2kts s ARG 11 Cb -0.08 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2kts s ARG 11 CO -0.00 0.54 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.88 2kts s PHE 12 N -1.48 0.96 -0.02 5.12 0.40 0.52 -3.55 117.98 119.93 2kts s PHE 12 Ca 0.35 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2kts s PHE 12 Cb -0.13 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 42.89 2kts s PHE 12 CO 0.20 -0.05 0.01 0.14 0.70 0.00 0.00 175.22 176.22 2kts s VAL 13 N -2.68 0.05 -0.48 -0.44 -7.23 -1.07 -0.49 120.40 108.07 2kts s VAL 13 Ca 0.06 0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.10 2kts s VAL 13 Cb -0.01 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.72 2kts s VAL 13 CO -0.01 0.11 2.09 -0.22 -0.31 0.00 0.00 175.10 176.76 2kts s LEU 14 N 0.95 3.38 -0.07 1.32 2.96 -0.49 -1.08 118.68 125.66 2kts s LEU 14 Ca -0.09 0.94 -0.13 0.00 -0.22 0.00 0.00 54.13 54.63 2kts s LEU 14 Cb -0.12 -2.79 -0.30 0.00 0.50 0.00 0.00 46.19 43.48 2kts s LEU 14 CO -0.02 -2.41 0.64 -0.08 -1.32 0.00 0.00 176.35 173.16 2kts h GLU 15 N 16.37 0.35 -2.73 1.98 4.22 -1.64 -3.46 114.58 129.68 2kts h GLU 15 Ca -0.28 -0.59 -0.11 0.00 0.08 0.00 0.00 59.36 58.45 2kts h GLU 15 Cb 1.21 0.22 -0.23 0.00 0.50 0.00 0.00 28.75 30.45 2kts h GLU 15 CO 1.14 1.28 -0.20 -1.54 -2.18 0.00 0.00 179.01 177.51 2kts s SER 16 N -7.21 -0.41 1.15 1.04 1.04 -0.78 -4.53 113.70 104.00 2kts s SER 16 Ca -0.17 0.69 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 2kts s SER 16 Cb 0.05 0.74 0.26 0.00 0.10 0.00 0.00 66.02 67.17 2kts s SER 16 CO 0.83 -0.24 1.11 -0.69 0.98 0.00 0.00 173.24 175.23 2kts s VAL 17 N -0.19 1.71 0.62 5.02 1.01 0.52 -1.56 120.40 127.53 2kts s VAL 17 Ca -0.04 0.00 0.24 0.00 0.00 0.00 0.00 61.98 62.18 2kts s VAL 17 Cb -0.03 -2.51 0.32 0.00 0.00 0.00 0.00 36.38 34.16 2kts s VAL 17 CO 0.02 0.00 1.49 -0.55 0.00 0.00 0.00 175.10 176.06 2kts h ASN 18 N -2.38 0.00 0.00 3.32 -1.07 -1.86 -3.02 115.58 110.56 2kts h ASN 18 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 2kts h ASN 18 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 2kts h ASN 18 CO 0.40 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.51 2kts n GLY 19 N -1.57 0.81 3.17 9.14 0.00 -1.26 -4.97 105.19 110.50 2kts n GLY 19 Ca 0.13 0.00 -0.10 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 0.00 0.69 1.00 1.61 1.02 -1.14 -5.17 119.74 117.74 2kts s LYS 20 Ca 0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 55.97 55.15 2kts s LYS 20 Cb 0.00 0.28 0.19 0.00 -0.52 0.00 0.00 37.83 37.78 2kts s LYS 20 CO 0.00 -0.19 1.12 -1.25 -0.92 0.00 0.00 175.35 174.11 2kts s PRO 21 N -2.76 0.42 0.35 -1.68 0.04 -1.26 -0.36 135.00 129.75 2kts s PRO 21 Ca -0.04 0.28 0.09 0.00 0.04 0.00 0.00 61.00 61.37 2kts s PRO 21 Cb -0.00 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 2kts s PRO 21 CO -0.05 -2.69 -0.09 0.54 0.04 0.00 0.00 177.00 174.76 2kts s VAL 22 N -3.14 2.21 0.62 -0.36 0.11 -1.26 -4.65 120.40 113.93 2kts s VAL 22 Ca 0.66 -2.19 -0.11 0.00 -2.93 0.00 0.00 61.98 57.42 2kts s VAL 22 Cb -0.15 -2.67 0.15 0.00 -1.53 0.00 0.00 36.38 32.17 2kts s VAL 22 CO 0.55 -0.19 0.75 0.41 -3.33 0.00 0.00 175.10 173.30 2kts n THR 23 N -0.80 0.00 -2.37 5.04 -1.04 -1.26 -4.90 114.28 108.94 2kts n THR 23 Ca -0.05 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.44 2kts n THR 23 Cb 0.64 -1.55 0.01 0.00 -1.82 0.00 0.00 70.33 67.61 2kts n THR 23 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kts n SER 24 N -3.68 -4.97 -0.35 8.00 7.64 -1.26 -4.62 113.62 114.39 2kts n SER 24 Ca 0.10 -0.14 0.23 0.00 1.01 0.00 0.00 58.87 60.07 2kts n SER 24 Cb 0.34 -3.26 0.47 0.00 -1.01 0.00 0.00 64.21 60.76 2kts n SER 24 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2kts h ASP 25 N 0.01 0.53 0.41 6.43 5.19 -2.00 -0.90 116.42 126.09 2kts h ASP 25 Ca -0.10 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2kts h ASP 25 Cb 1.05 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.64 2kts h ASP 25 CO 0.18 -0.02 -1.38 1.17 -3.12 0.00 0.00 179.24 176.08 2kts n LYS 26 N -4.88 0.50 -2.96 3.56 4.81 -1.26 -4.68 118.16 113.25 2kts n LYS 26 Ca 0.29 -0.04 -0.16 0.00 -0.87 0.00 0.00 58.31 57.54 2kts n LYS 26 Cb 0.93 -1.63 -0.01 0.00 0.02 0.00 0.00 35.03 34.35 2kts n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2kts n ASN 27 N -2.25 -1.42 -4.69 3.14 0.23 -0.54 -5.15 115.26 104.58 2kts n ASN 27 Ca -0.01 -3.03 -0.30 0.00 -0.53 0.00 0.00 54.58 50.71 2kts n ASN 27 Cb 0.51 0.66 0.15 0.00 -2.08 0.00 0.00 39.78 39.02 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kts s PRO 28 N -0.23 1.15 -0.91 -0.53 0.04 -0.46 -4.74 135.00 129.32 2kts s PRO 28 Ca 0.33 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 2kts s PRO 28 Cb 0.21 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.83 2kts s PRO 28 CO -0.18 -2.42 2.23 -1.25 0.04 0.00 0.00 177.00 175.42 2kts s PRO 29 N -4.76 1.71 0.27 0.56 0.04 -1.26 -4.91 135.00 126.64 2kts s PRO 29 Ca 0.65 0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.73 2kts s PRO 29 Cb -0.20 -4.91 -0.03 0.00 0.04 0.00 0.00 34.50 29.39 2kts s PRO 29 CO 0.58 -4.51 0.44 -1.83 0.04 0.00 0.00 177.00 171.71 2kts s GLU 30 N 8.32 3.47 -0.01 4.56 -1.05 -1.26 -1.40 118.70 131.33 2kts s GLU 30 Ca 0.85 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 2kts s GLU 30 Cb -0.09 -2.80 0.01 0.00 -0.44 0.00 0.00 34.13 30.81 2kts s GLU 30 CO 0.09 0.32 -0.00 -1.50 0.95 0.00 0.00 175.26 175.12 2kts s ILE 31 N -2.08 0.08 0.09 1.83 2.07 0.36 -3.33 121.20 120.23 2kts s ILE 31 Ca 0.37 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.63 2kts s ILE 31 Cb -0.10 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 2kts s ILE 31 CO 0.32 0.05 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.40 2kts s SER 32 N 0.28 1.04 0.34 4.50 1.04 -0.25 -0.36 113.70 120.29 2kts s SER 32 Ca -0.02 -1.01 0.09 0.00 0.48 0.00 0.00 55.95 55.49 2kts s SER 32 Cb -0.04 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 2kts s SER 32 CO -0.01 -0.49 -0.06 -0.36 0.98 0.00 0.00 173.24 173.31 2kts s PHE 33 N -3.67 2.46 0.00 5.02 0.08 -1.25 -0.97 117.98 119.65 2kts s PHE 33 Ca 0.11 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2kts s PHE 33 Cb 0.06 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2kts s PHE 33 CO -0.05 0.55 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 2kts n GLY 34 N -0.85 2.81 2.16 4.36 0.00 -0.98 -4.15 105.19 108.53 2kts n GLY 34 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.60 -4.88 -1.48 1.61 2.13 -1.26 -3.13 120.64 113.03 2kts n GLU 35 Ca 0.00 3.47 -0.17 0.00 0.66 0.00 0.00 57.16 61.12 2kts n GLU 35 Cb 0.00 -4.04 -0.07 0.00 0.27 0.00 0.00 31.44 27.59 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2kts n LYS 36 N 1.91 -1.53 -3.12 5.31 5.02 -1.26 -1.90 118.16 122.59 2kts n LYS 36 Ca 0.00 1.06 -0.23 0.00 -2.02 0.00 0.00 58.31 57.13 2kts n LYS 36 Cb 0.00 -5.44 0.04 0.00 -0.02 0.00 0.00 35.03 29.61 2kts n LYS 36 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2kts n MET 37 N -1.77 -5.10 -1.17 1.97 1.56 -1.26 -4.59 117.12 106.77 2kts n MET 37 Ca -0.17 0.86 -0.30 0.00 -0.27 0.00 0.00 57.70 57.83 2kts n MET 37 Cb 0.63 -5.74 0.14 0.00 2.15 0.00 0.00 33.22 30.40 2kts n MET 37 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 2kts s MET 38 N -5.81 1.27 -0.02 2.12 -1.94 -0.80 -1.23 119.30 112.90 2kts s MET 38 Ca 0.35 0.89 0.07 0.00 -1.71 0.00 0.00 55.69 55.28 2kts s MET 38 Cb -0.16 -1.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 2kts s MET 38 CO 0.43 -2.25 -0.23 0.42 -0.01 0.00 0.00 175.02 173.38 2kts s ILE 39 N -2.90 1.78 0.10 2.53 1.01 -0.27 -2.33 121.20 121.12 2kts s ILE 39 Ca 0.63 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.40 2kts s ILE 39 Cb -0.18 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2kts s ILE 39 CO 0.57 0.50 -0.22 -0.44 0.00 0.00 0.00 174.94 175.36 2kts s SER 40 N -0.52 2.66 0.00 3.58 0.01 -0.14 -2.77 113.70 116.52 2kts s SER 40 Ca 0.09 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2kts s SER 40 Cb -0.09 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2kts s SER 40 CO -0.01 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2kts n GLY 41 N 1.18 -1.70 3.07 3.44 0.00 -1.23 -1.09 105.19 108.87 2kts n GLY 41 Ca -0.19 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2kts n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kts s SER 42 N -0.48 0.26 -0.15 1.61 0.15 -1.21 -1.83 113.70 112.05 2kts s SER 42 Ca 0.00 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.93 2kts s SER 42 Cb 0.00 0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 64.43 2kts s SER 42 CO 0.00 -0.47 -0.23 0.23 1.20 0.00 0.00 173.24 173.97 2kts n MET 43 N 0.85 0.37 0.01 5.44 2.81 -1.26 -4.14 117.12 121.20 2kts n MET 43 Ca -0.19 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2kts n MET 43 Cb 0.58 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 2kts n MET 43 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kts n ASN 45 N -2.56 2.48 -1.38 0.00 3.02 -1.26 -4.83 115.26 110.74 2kts n ASN 45 Ca 0.00 -2.24 0.18 0.00 -0.03 0.00 0.00 54.58 52.49 2kts n ASN 45 Cb 0.00 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.68 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 0.33 -2.87 -3.81 3.52 5.12 -1.26 -1.35 116.66 116.32 2kts n ARG 46 Ca 0.11 2.09 -0.05 0.00 -1.93 0.00 0.00 57.85 58.07 2kts n ARG 46 Cb 0.50 -3.48 -0.01 0.00 -1.16 0.00 0.00 32.46 28.31 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 -3.02 -0.09 -0.26 -1.55 -0.12 -0.76 -4.57 117.98 107.62 2kts s PHE 47 Ca 0.00 -0.34 -0.27 0.00 -0.05 0.00 0.00 56.93 56.27 2kts s PHE 47 Cb 0.00 0.70 0.16 0.00 -0.63 0.00 0.00 43.02 43.25 2kts s PHE 47 CO 0.00 -1.09 1.23 -1.54 -0.05 0.00 0.00 175.22 173.77 2kts s SER 48 N -3.01 -0.22 -0.04 1.98 1.04 -1.23 -3.55 113.70 108.67 2kts s SER 48 Ca 0.13 0.35 -0.31 0.00 0.48 0.00 0.00 55.95 56.60 2kts s SER 48 Cb -0.04 0.33 0.13 0.00 0.10 0.00 0.00 66.02 66.55 2kts s SER 48 CO 0.06 -0.12 1.34 -0.83 0.98 0.00 0.00 173.24 174.66 2kts s GLY 49 N -0.35 -0.44 -0.79 7.32 0.00 -1.11 -1.36 107.32 110.58 2kts s GLY 49 Ca 0.05 0.80 -0.25 0.00 0.00 0.00 0.00 44.72 45.31 2kts s GLY 49 CO -0.08 0.15 1.77 -0.54 0.00 0.00 0.00 173.10 174.40 2kts s GLU 50 N -2.30 2.79 0.03 2.90 2.02 -1.26 -1.11 118.70 121.76 2kts s GLU 50 Ca 0.14 -0.06 -0.15 0.00 0.02 0.00 0.00 54.97 54.91 2kts s GLU 50 Cb 0.06 -4.75 -0.08 0.00 0.10 0.00 0.00 34.13 29.45 2kts s GLU 50 CO -0.05 -2.85 1.23 0.78 0.02 0.00 0.00 175.26 174.40 2kts h GLY 51 N 16.12 -0.66 -1.94 -1.39 0.00 -1.39 -2.88 103.07 110.94 2kts h GLY 51 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2kts h GLY 51 CO 1.25 -0.23 -0.47 1.17 0.00 0.00 0.00 176.54 178.26 2kts n LYS 52 N -3.53 -2.40 -3.41 4.80 4.81 -0.81 -2.12 118.16 115.50 2kts n LYS 52 Ca -0.07 1.78 -0.17 0.00 -0.87 0.00 0.00 58.31 58.99 2kts n LYS 52 Cb 0.22 -2.00 -0.10 0.00 0.02 0.00 0.00 35.03 33.17 2kts n LYS 52 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kts s LEU 53 N -2.55 -0.24 0.00 3.14 2.96 -1.26 -4.22 118.68 116.50 2kts s LEU 53 Ca 0.00 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 2kts s LEU 53 Cb 0.00 0.53 0.00 0.00 0.50 0.00 0.00 46.19 47.22 2kts s LEU 53 CO 0.00 -0.37 0.65 -0.24 -1.32 0.00 0.00 176.35 175.06 2kts n SER 54 N 5.32 0.00 0.00 3.68 2.88 -1.26 -4.51 113.62 119.72 2kts n SER 54 Ca -0.03 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 2kts n SER 54 Cb 0.47 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2kts n SER 54 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kts n ASN 55 N 0.00 0.00 0.00 -3.46 0.23 -1.26 -5.01 115.26 105.76 2kts n ASN 55 Ca 0.00 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 2kts n ASN 55 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kts n GLY 56 N 0.00 0.88 3.13 4.83 0.00 -1.26 -5.08 105.19 107.68 2kts n GLY 56 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 0.72 -0.35 1.61 2.12 -1.26 -1.59 118.70 119.39 2kts s GLU 57 Ca 0.00 -1.14 0.01 0.00 0.36 0.00 0.00 54.97 54.20 2kts s GLU 57 Cb 0.00 -0.22 0.11 0.00 0.26 0.00 0.00 34.13 34.28 2kts s GLU 57 CO 0.00 0.00 0.13 -1.17 -0.54 0.00 0.00 175.26 173.68 2kts s LEU 58 N -2.55 2.72 -0.36 2.70 2.96 -0.26 -4.40 118.68 119.50 2kts s LEU 58 Ca 0.04 -1.98 -0.03 0.00 -0.22 0.00 0.00 54.13 51.94 2kts s LEU 58 Cb 0.00 -1.02 0.08 0.00 0.50 0.00 0.00 46.19 45.75 2kts s LEU 58 CO -0.03 -0.37 0.12 0.42 -1.32 0.00 0.00 176.35 175.17 2kts s THR 59 N 1.17 3.27 -0.01 3.68 -4.23 -0.90 -3.65 115.64 114.97 2kts s THR 59 Ca 0.12 -1.68 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 2kts s THR 59 Cb -0.20 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.54 2kts s THR 59 CO -0.16 -0.41 1.30 0.00 -0.54 0.00 0.00 174.62 174.82 2kts s ALA 60 N 1.22 3.53 0.00 3.99 0.00 -0.18 -4.49 121.76 125.83 2kts s ALA 60 Ca 0.02 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2kts s ALA 60 Cb -0.21 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.21 2kts s ALA 60 CO -0.02 -0.78 2.74 1.17 0.00 0.00 0.00 175.76 178.87 2kts n LYS 61 N 5.05 1.46 0.00 0.00 4.81 -1.08 -4.35 118.16 124.05 2kts n LYS 61 Ca 0.12 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 2kts n LYS 61 Cb 0.45 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 2.18 1.32 3.35 3.14 0.00 -1.26 -4.86 105.19 109.05 2kts n GLY 62 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 2kts n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kts n LEU 63 N 0.00 -3.81 -4.55 0.99 7.94 -1.26 -4.84 117.00 111.47 2kts n LEU 63 Ca 0.00 0.01 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 2kts n LEU 63 Cb 0.00 -2.04 -0.03 0.00 0.53 0.00 0.00 43.42 41.88 2kts n LEU 63 CO 0.00 -0.58 1.81 0.00 -1.11 0.00 0.00 177.39 177.51 2kts s ALA 64 N -1.73 1.91 0.50 1.96 0.00 -0.46 -4.78 121.76 119.15 2kts s ALA 64 Ca 0.35 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.05 2kts s ALA 64 Cb -0.05 -4.33 0.02 0.00 0.00 0.00 0.00 23.12 18.76 2kts s ALA 64 CO 0.85 -4.17 0.41 -1.64 0.00 0.00 0.00 175.76 171.20 2kts s MET 65 N 7.63 2.34 0.00 0.00 -1.94 -1.26 -3.55 119.30 122.51 2kts s MET 65 Ca 0.82 -1.83 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 2kts s MET 65 Cb -0.15 -2.21 0.00 0.00 2.01 0.00 0.00 34.83 34.48 2kts s MET 65 CO 0.23 -0.47 0.00 0.25 -0.01 0.00 0.00 175.02 175.02 2kts n THR 66 N -1.69 0.00 -3.23 2.05 -2.24 -0.46 -5.05 114.28 103.66 2kts n THR 66 Ca 0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 2kts n THR 66 Cb 0.63 -0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 2kts n THR 66 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kts n ARG 67 N -0.05 0.43 -4.42 -0.78 0.00 -1.26 -4.93 116.66 105.65 2kts n ARG 67 Ca 0.00 -3.01 -0.21 0.00 -0.00 0.00 0.00 57.85 54.63 2kts n ARG 67 Cb 0.00 -1.48 -0.10 0.00 -0.00 0.00 0.00 32.46 30.87 2kts n ARG 67 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2kts s MET 68 N -0.26 1.53 0.32 2.89 -1.94 -1.26 -5.14 119.30 115.43 2kts s MET 68 Ca 0.33 -1.77 0.09 0.00 -1.71 0.00 0.00 55.69 52.63 2kts s MET 68 Cb 0.09 -1.11 -0.05 0.00 2.01 0.00 0.00 34.83 35.77 2kts s MET 68 CO -0.16 0.03 0.05 -1.64 -0.01 0.00 0.00 175.02 173.29 2kts s MET 69 N -3.74 2.24 0.00 2.03 -1.94 -1.26 -4.66 119.30 111.97 2kts s MET 69 Ca 0.29 -1.58 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 2kts s MET 69 Cb 0.04 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.79 2kts s MET 69 CO 0.12 0.20 0.14 0.00 -0.01 0.00 0.00 175.02 175.47 2kts n ALA 71 N -0.63 0.00 -2.69 0.00 0.00 -1.26 -4.97 120.51 110.97 2kts n ALA 71 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2kts n ALA 71 Cb 0.01 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 2kts n ALA 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kts s ASN 72 N -2.03 1.19 0.16 0.00 2.47 -1.26 -5.07 114.94 110.40 2kts s ASN 72 Ca 0.00 -0.28 0.08 0.00 0.42 0.00 0.00 52.86 53.09 2kts s ASN 72 Cb 0.00 -0.10 -0.12 0.00 -1.45 0.00 0.00 41.25 39.58 2kts s ASN 72 CO 0.00 0.06 1.33 1.55 -3.72 0.00 0.00 177.10 176.32 2kts h PRO 73 N 5.52 0.00 -0.94 0.43 0.13 -1.99 -3.12 132.00 132.03 2kts h PRO 73 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kts h PRO 73 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2kts h PRO 73 CO 0.47 0.90 0.59 0.37 -0.23 0.00 0.00 178.00 180.10 2kts h GLN 74 N 0.00 1.26 -0.44 0.86 4.15 -1.99 0.91 115.11 119.86 2kts h GLN 74 Ca -0.01 -0.10 -0.10 0.00 0.77 0.00 0.00 58.65 59.21 2kts h GLN 74 Cb 1.66 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 2kts h GLN 74 CO 0.12 0.86 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.68 2kts h LEU 75 N 1.29 0.82 -0.26 -2.39 3.38 -1.86 -2.48 115.31 113.81 2kts h LEU 75 Ca 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2kts h LEU 75 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2kts h LEU 75 CO -0.07 0.96 0.07 -1.13 0.09 0.00 0.00 178.44 178.36 2kts h ASN 76 N 0.74 0.40 0.55 -0.43 -0.73 -1.11 -2.58 115.58 112.41 2kts h ASN 76 Ca 0.12 -0.23 -0.12 0.00 1.87 0.00 0.00 56.30 57.94 2kts h ASN 76 Cb 0.63 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 2kts h ASN 76 CO 0.04 0.52 -0.56 1.05 -0.37 0.00 0.00 177.43 178.11 2kts h GLU 77 N 0.25 0.02 -0.56 6.67 4.11 -0.91 -2.98 114.58 121.18 2kts h GLU 77 Ca 0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2kts h GLU 77 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2kts h GLU 77 CO 0.00 0.58 0.31 -0.07 0.07 0.00 0.00 179.01 179.89 2kts h LEU 78 N 0.01 0.68 -2.08 3.06 4.07 -1.28 0.11 115.31 119.89 2kts h LEU 78 Ca -0.01 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.93 2kts h LEU 78 Cb 1.00 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 2kts h LEU 78 CO 0.07 0.55 0.06 -2.24 -1.08 0.00 0.00 178.44 175.81 2kts h ASP 79 N 0.77 0.00 0.23 -0.43 2.03 -1.29 -0.47 116.42 117.27 2kts h ASP 79 Ca 0.20 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.50 2kts h ASP 79 Cb 0.02 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2kts h ASP 79 CO -0.03 0.00 -1.77 -3.20 -1.03 0.00 0.00 179.24 173.21 2kts n ASN 80 N -4.37 0.20 0.20 4.15 5.15 -0.49 -3.24 115.26 116.85 2kts n ASN 80 Ca -0.01 0.08 -0.11 0.00 -0.60 0.00 0.00 54.58 53.93 2kts n ASN 80 Cb 0.17 1.64 -0.06 0.00 -0.53 0.00 0.00 39.78 40.99 2kts n ASN 80 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2kts h THR 81 N 0.00 0.29 -0.58 -0.44 2.02 -0.30 -3.36 112.91 110.54 2kts h THR 81 Ca -0.00 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 2kts h THR 81 Cb 1.00 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2kts h THR 81 CO 0.00 0.06 -0.06 -0.29 0.37 0.00 0.00 175.52 175.60 2kts h ILE 82 N -1.05 1.27 -0.53 3.11 6.09 -1.27 -2.93 117.51 122.20 2kts h ILE 82 Ca -0.06 -1.22 0.11 0.00 -1.37 0.00 0.00 64.86 62.32 2kts h ILE 82 Cb 0.53 0.88 -0.10 0.00 0.47 0.00 0.00 36.82 38.60 2kts h ILE 82 CO 0.09 0.44 -0.07 0.77 -3.07 0.00 0.00 178.15 176.31 2kts h SER 83 N 0.95 -0.37 -0.31 2.19 4.64 -1.71 -1.52 113.55 117.43 2kts h SER 83 Ca 0.16 0.15 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 2kts h SER 83 Cb 0.63 0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2kts h SER 83 CO 0.04 -0.13 -0.50 -0.08 -0.87 0.00 0.00 176.83 175.29 2kts h GLU 84 N 0.05 0.88 -0.88 4.77 4.57 -1.68 -2.86 114.58 119.43 2kts h GLU 84 Ca 0.26 -0.53 0.03 0.00 -1.18 0.00 0.00 59.36 57.94 2kts h GLU 84 Cb 0.41 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 2kts h GLU 84 CO -0.50 1.17 0.57 0.52 -1.18 0.00 0.00 179.01 179.59 2kts h MET 85 N 0.67 1.08 0.00 1.92 2.86 -1.11 0.10 114.93 120.45 2kts h MET 85 Ca 0.02 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 2kts h MET 85 Cb 1.10 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 2kts h MET 85 CO 0.11 0.71 -0.68 -0.07 1.06 0.00 0.00 176.91 178.05 2kts h LEU 86 N 1.11 0.00 0.04 1.22 -0.00 -1.46 -1.08 115.31 115.14 2kts h LEU 86 Ca 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.23 2kts h LEU 86 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2kts h LEU 86 CO -0.11 0.68 -0.02 0.11 -0.00 0.00 0.00 178.44 179.10 2kts h LYS 87 N 0.00 -0.05 -0.36 1.13 1.57 -1.17 -0.47 116.57 117.22 2kts h LYS 87 Ca -0.01 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2kts h LYS 87 Cb 1.40 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.65 2kts h LYS 87 CO 0.09 0.62 -0.17 0.93 -0.57 0.00 0.00 179.45 180.35 2kts h GLU 88 N -0.87 -0.10 0.00 3.15 4.39 -1.04 -3.45 114.58 116.66 2kts h GLU 88 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kts h GLU 88 Cb 0.69 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2kts h GLU 88 CO 0.01 -0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.20 2kts n GLY 89 N -1.35 2.51 2.94 -3.84 0.00 -0.41 -5.03 105.19 100.01 2kts n GLY 89 Ca 0.02 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.32 0.23 0.06 4.61 0.00 -1.24 -4.87 121.76 120.24 2kts s ALA 90 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.40 2kts s ALA 90 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 2kts s ALA 90 CO 0.00 0.01 1.28 -0.65 0.00 0.00 0.00 175.76 176.40 2kts s GLN 91 N -0.45 4.38 -0.11 0.00 1.11 -0.01 -1.10 119.66 123.48 2kts s GLN 91 Ca -0.03 1.88 0.03 0.00 0.01 0.00 0.00 55.36 57.25 2kts s GLN 91 Cb -0.03 -3.36 0.01 0.00 -1.01 0.00 0.00 33.01 28.62 2kts s GLN 91 CO -0.00 -0.36 -0.20 0.54 0.01 0.00 0.00 175.29 175.28 2kts s VAL 92 N 1.30 1.83 -0.33 1.09 0.11 -0.62 -1.63 120.40 122.15 2kts s VAL 92 Ca 0.61 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 2kts s VAL 92 Cb -0.32 -1.62 0.13 0.00 -1.53 0.00 0.00 36.38 33.05 2kts s VAL 92 CO 0.29 0.51 0.23 -0.62 -3.33 0.00 0.00 175.10 172.18 2kts s ASP 93 N 0.67 2.56 -0.51 3.54 2.15 -0.02 -4.66 116.67 120.40 2kts s ASP 93 Ca -0.12 -1.58 -0.16 0.00 0.43 0.00 0.00 52.55 51.12 2kts s ASP 93 Cb -0.16 -0.04 0.10 0.00 -0.30 0.00 0.00 42.92 42.51 2kts s ASP 93 CO 0.03 -0.35 0.47 -0.22 -0.17 0.00 0.00 175.17 174.92 2kts s LEU 94 N 1.65 5.83 0.00 -1.34 1.98 -1.26 -0.53 118.68 125.01 2kts s LEU 94 Ca 0.14 -1.52 0.00 0.00 -2.89 0.00 0.00 54.13 49.86 2kts s LEU 94 Cb -0.18 -2.21 0.00 0.00 0.66 0.00 0.00 46.19 44.46 2kts s LEU 94 CO -0.16 -0.78 0.00 1.07 -1.89 0.00 0.00 176.35 174.59 2kts n THR 95 N 5.26 0.00 0.20 3.68 5.66 -0.55 -4.38 114.28 124.15 2kts n THR 95 Ca -0.13 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.05 2kts n THR 95 Cb 0.42 -1.80 0.77 0.00 -1.55 0.00 0.00 70.33 68.17 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 -2.00 1.77 0.00 1.79 0.00 -2.03 -3.30 119.26 115.49 2kts h ALA 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kts h ALA 96 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kts h ALA 96 CO 0.00 -0.51 0.00 0.27 0.00 0.00 0.00 179.25 179.01 2kts n ASN 97 N -3.36 0.00 -4.19 0.00 0.23 -1.26 -5.11 115.26 101.57 2kts n ASN 97 Ca 0.03 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.58 52.78 2kts n ASN 97 Cb 0.51 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.04 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 2.76 0.15 -3.83 0.74 -1.24 -3.12 119.66 115.11 2kts s GLN 98 Ca 0.00 -0.80 -0.26 0.00 0.05 0.00 0.00 55.36 54.36 2kts s GLN 98 Cb 0.00 -2.12 -0.08 0.00 1.10 0.00 0.00 33.01 31.91 2kts s GLN 98 CO 0.00 0.17 0.79 -1.17 -0.55 0.00 0.00 175.29 174.53 2kts s LEU 99 N 0.35 4.57 -0.17 3.68 2.96 -0.98 -1.48 118.68 127.60 2kts s LEU 99 Ca -0.17 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 2kts s LEU 99 Cb -0.17 -3.32 0.02 0.00 0.50 0.00 0.00 46.19 43.22 2kts s LEU 99 CO 0.08 0.16 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.19 2kts s THR 100 N -0.91 1.98 -0.08 3.68 2.01 0.31 -2.85 115.64 119.79 2kts s THR 100 Ca 0.37 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 2kts s THR 100 Cb -0.23 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 2kts s THR 100 CO 0.26 0.53 0.27 -0.76 -0.69 0.00 0.00 174.62 174.23 2kts s LEU 101 N 1.31 4.40 0.10 4.42 2.01 -1.24 -0.84 118.68 128.84 2kts s LEU 101 Ca 0.05 0.67 0.04 0.00 0.01 0.00 0.00 54.13 54.90 2kts s LEU 101 Cb -0.13 -2.32 -0.03 0.00 0.01 0.00 0.00 46.19 43.71 2kts s LEU 101 CO -0.12 0.33 -0.11 0.00 1.01 0.00 0.00 176.35 177.45 2kts s ALA 102 N -0.84 1.18 0.25 4.21 0.00 -0.65 -1.06 121.76 124.86 2kts s ALA 102 Ca 0.19 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2kts s ALA 102 Cb -0.14 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.01 2kts s ALA 102 CO 0.08 0.03 0.84 0.99 0.00 0.00 0.00 175.76 177.69 2kts s THR 103 N -2.13 0.00 0.53 0.00 2.01 -0.53 -0.83 115.64 114.70 2kts s THR 103 Ca 0.04 -0.85 0.27 0.00 0.31 0.00 0.00 61.69 61.46 2kts s THR 103 Cb -0.05 -2.22 0.43 0.00 0.01 0.00 0.00 72.50 70.67 2kts s THR 103 CO 0.01 0.00 1.96 0.00 -0.69 0.00 0.00 174.62 175.90 2kts h ALA 104 N 2.00 2.62 -0.72 7.40 0.00 -1.98 -3.03 119.26 125.56 2kts h ALA 104 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kts h ALA 104 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kts h ALA 104 CO 0.28 -0.81 0.00 1.63 0.00 0.00 0.00 179.25 180.35 2kts n LYS 105 N -4.34 0.00 -1.08 0.00 4.76 -1.26 -5.07 118.16 111.18 2kts n LYS 105 Ca 0.13 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2kts n LYS 105 Cb 0.73 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 2kts n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kts n GLN 106 N -1.64 0.00 -4.20 1.97 10.64 -1.14 -5.18 117.38 117.82 2kts n GLN 106 Ca 0.00 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.00 2kts n GLN 106 Cb 0.00 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.27 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 -2.69 1.16 0.34 -0.39 -1.32 -1.26 -1.45 115.64 110.04 2kts s THR 107 Ca 0.00 -1.54 0.08 0.00 -1.21 0.00 0.00 61.69 59.03 2kts s THR 107 Cb 0.00 -1.31 -0.07 0.00 -1.51 0.00 0.00 72.50 69.61 2kts s THR 107 CO 0.00 -0.37 -0.06 -0.76 -2.21 0.00 0.00 174.62 171.23 2kts s LEU 108 N -2.16 2.68 -0.25 9.08 2.01 -0.22 -2.66 118.68 127.16 2kts s LEU 108 Ca 0.04 -1.24 -0.01 0.00 0.01 0.00 0.00 54.13 52.92 2kts s LEU 108 Cb -0.07 -0.87 0.07 0.00 0.01 0.00 0.00 46.19 45.34 2kts s LEU 108 CO 0.02 -0.31 0.03 -0.89 1.01 0.00 0.00 176.35 176.22 2kts s THR 109 N -2.75 0.95 0.35 5.49 2.01 -0.60 -3.65 115.64 117.44 2kts s THR 109 Ca 0.33 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2kts s THR 109 Cb 0.05 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 2kts s THR 109 CO 0.16 -0.34 0.50 -0.31 -0.69 0.00 0.00 174.62 173.94 2kts s TYR 110 N 1.63 3.12 0.07 4.92 1.51 -1.13 -1.68 117.35 125.79 2kts s TYR 110 Ca 0.01 -0.16 0.09 0.00 -1.01 0.00 0.00 57.07 56.00 2kts s TYR 110 Cb -0.18 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2kts s TYR 110 CO -0.13 -0.08 -0.24 0.21 -1.11 0.00 0.00 175.55 174.21 2kts s LYS 111 N -4.24 1.49 0.00 -0.62 2.47 -0.24 -2.33 119.74 116.27 2kts s LYS 111 Ca 0.46 -1.09 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 2kts s LYS 111 Cb -0.10 -1.71 0.00 0.00 -1.46 0.00 0.00 37.83 34.56 2kts s LYS 111 CO 0.32 0.43 0.29 -0.11 0.16 0.00 0.00 175.35 176.44 2kts n LEU 112 N 1.57 0.38 -4.56 5.43 7.94 -1.18 -2.59 117.00 123.99 2kts n LEU 112 Ca -0.17 -0.19 -0.14 0.00 -1.11 0.00 0.00 56.01 54.39 2kts n LEU 112 Cb 0.53 -0.19 -0.07 0.00 0.53 0.00 0.00 43.42 44.22 2kts n LEU 112 CO 0.23 0.09 1.23 0.00 -1.11 0.00 0.00 177.39 177.84 2kts s ALA 113 N -1.22 0.73 -0.28 1.96 0.00 -1.23 -4.77 121.76 116.95 2kts s ALA 113 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2kts s ALA 113 Cb 0.00 -4.57 0.05 0.00 0.00 0.00 0.00 23.12 18.60 2kts s ALA 113 CO 0.00 -5.87 2.57 -3.47 0.00 0.00 0.00 175.76 168.99 2kts n ASP 114 N 18.50 6.15 0.00 0.00 2.03 -1.26 -4.52 116.55 137.44 2kts n ASP 114 Ca 0.46 -2.95 0.06 0.00 0.52 0.00 0.00 54.79 52.88 2kts n ASP 114 Cb 0.43 -1.19 0.36 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.03 0.00 -1.59 -2.67 4.77 -1.26 -4.95 117.00 112.34 2kts n LEU 115 Ca 0.36 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2kts n LEU 115 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2kts n LEU 115 CO 0.28 0.00 -0.37 0.80 -1.33 0.00 0.00 177.39 176.77 2kts n MET 116 N -0.73 -4.19 0.00 3.23 0.00 -1.26 -5.19 117.12 108.98 2kts n MET 116 Ca 0.09 3.06 0.00 0.00 -0.00 0.00 0.00 57.70 60.85 2kts n MET 116 Cb 0.04 -3.25 0.00 0.00 0.00 0.00 0.00 33.22 30.01 2kts n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06