#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 2.55 -4.30 3.17 3.14 -1.26 -5.03 118.33 116.60 2kts n VAL 2 Ca 0.00 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.72 2kts n VAL 2 Cb 0.00 -1.45 -0.10 0.00 -1.06 0.00 0.00 33.84 31.23 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 -1.22 1.17 0.31 1.55 -4.23 -1.26 -4.81 115.64 107.15 2kts s THR 3 Ca 0.62 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 2kts s THR 3 Cb -0.52 -2.13 0.12 0.00 1.34 0.00 0.00 72.50 71.31 2kts s THR 3 CO 0.57 -0.51 1.80 1.55 -0.54 0.00 0.00 174.62 177.49 2kts h PRO 4 N 2.59 0.50 0.42 3.99 0.13 -1.96 -3.22 132.00 134.46 2kts h PRO 4 Ca -0.38 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2kts h PRO 4 Cb 1.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kts h PRO 4 CO 0.64 0.62 -0.26 1.49 -0.23 0.00 0.00 178.00 180.26 2kts h GLU 5 N 0.47 -0.63 -0.08 0.86 4.81 -1.97 -0.71 114.58 117.32 2kts h GLU 5 Ca 0.09 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2kts h GLU 5 Cb 0.49 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2kts h GLU 5 CO 0.03 -0.42 0.00 0.00 -0.73 0.00 0.00 179.01 177.89 2kts n GLN 6 N -5.40 0.32 0.00 1.92 10.64 -1.21 -2.62 117.38 121.03 2kts n GLN 6 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2kts n GLN 6 Cb 0.30 -1.04 0.00 0.00 -0.86 0.00 0.00 30.24 28.64 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 -0.28 0.66 0.15 2.61 4.77 -0.98 -4.68 117.00 119.25 2kts n LEU 7 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2kts n LEU 7 Cb 0.02 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.57 2kts n LEU 7 CO 0.00 0.03 0.80 0.00 -1.33 0.00 0.00 177.39 176.89 2kts n GLN 8 N -2.72 0.11 -0.12 3.23 10.64 -0.31 -1.39 117.38 126.82 2kts n GLN 8 Ca 0.00 0.59 0.05 0.00 -1.83 0.00 0.00 57.00 55.81 2kts n GLN 8 Cb 0.39 -1.99 0.07 0.00 -0.86 0.00 0.00 30.24 27.84 2kts n GLN 8 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2kts n HIS 9 N -2.12 0.00 -3.68 2.61 8.25 -1.25 -3.38 115.22 115.65 2kts n HIS 9 Ca -0.01 -0.63 -0.17 0.00 -0.26 0.00 0.00 57.72 56.65 2kts n HIS 9 Cb 0.16 -0.10 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.69 -0.12 0.64 4.41 3.76 -0.49 -5.12 115.29 116.69 2kts s HIS 10 Ca 0.16 0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 55.47 2kts s HIS 10 Cb 0.14 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.51 2kts s HIS 10 CO 0.02 -0.24 1.04 -0.98 -0.85 0.00 0.00 174.74 173.73 2kts s ARG 11 N 2.12 3.39 -0.01 1.40 1.70 -1.26 -4.33 118.95 121.96 2kts s ARG 11 Ca 0.02 0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 56.07 2kts s ARG 11 Cb -0.12 -2.05 0.02 0.00 -0.57 0.00 0.00 34.95 32.22 2kts s ARG 11 CO -0.05 -0.73 0.02 -0.06 -1.08 0.00 0.00 175.30 173.40 2kts s PHE 12 N -3.15 0.01 0.04 5.89 0.08 0.48 -4.18 117.98 117.16 2kts s PHE 12 Ca 0.56 0.07 0.09 0.00 0.12 0.00 0.00 56.93 57.77 2kts s PHE 12 Cb -0.12 -0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.18 2kts s PHE 12 CO 0.54 -0.05 -0.25 0.54 -0.10 0.00 0.00 175.22 175.90 2kts s VAL 13 N 0.57 2.05 -1.11 -0.44 0.11 -1.07 -0.31 120.40 120.19 2kts s VAL 13 Ca -0.05 -1.34 -0.21 0.00 -2.93 0.00 0.00 61.98 57.45 2kts s VAL 13 Cb -0.07 -1.75 0.05 0.00 -1.53 0.00 0.00 36.38 33.08 2kts s VAL 13 CO -0.02 0.35 1.57 -0.22 -3.33 0.00 0.00 175.10 173.45 2kts s LEU 14 N -1.19 3.59 0.24 2.54 2.96 -0.53 -0.77 118.68 125.52 2kts s LEU 14 Ca 0.11 -1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 52.22 2kts s LEU 14 Cb -0.10 -2.57 0.39 0.00 0.50 0.00 0.00 46.19 44.41 2kts s LEU 14 CO 0.02 -1.48 1.82 -0.33 -1.32 0.00 0.00 176.35 175.06 2kts h GLU 15 N 9.13 0.79 -2.44 1.98 4.39 -1.71 -3.44 114.58 123.28 2kts h GLU 15 Ca 0.28 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 2kts h GLU 15 Cb 0.96 -0.18 -0.22 0.00 -0.10 0.00 0.00 28.75 29.22 2kts h GLU 15 CO 1.43 0.52 -0.06 0.45 -1.16 0.00 0.00 179.01 180.19 2kts s SER 16 N -5.63 -0.53 1.10 1.42 0.15 -0.89 -4.50 113.70 104.82 2kts s SER 16 Ca -0.12 0.89 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 2kts s SER 16 Cb 0.19 0.91 0.24 0.00 -1.71 0.00 0.00 66.02 65.65 2kts s SER 16 CO 0.78 -0.29 1.07 -0.69 1.20 0.00 0.00 173.24 175.31 2kts s VAL 17 N -0.17 1.93 0.28 4.45 1.01 -0.71 -1.37 120.40 125.81 2kts s VAL 17 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2kts s VAL 17 Cb -0.03 -2.36 0.29 0.00 0.00 0.00 0.00 36.38 34.28 2kts s VAL 17 CO 0.03 0.00 1.66 -0.55 0.00 0.00 0.00 175.10 176.24 2kts h ASN 18 N -2.27 0.05 0.00 3.32 7.08 -1.71 -3.30 115.58 118.75 2kts h ASN 18 Ca -0.56 0.18 -0.02 0.00 -3.08 0.00 0.00 56.30 52.82 2kts h ASN 18 Cb 1.33 0.23 -0.00 0.00 -2.08 0.00 0.00 38.32 37.80 2kts h ASN 18 CO 0.52 -0.11 -0.41 1.23 -2.08 0.00 0.00 177.43 176.59 2kts h GLY 19 N 0.25 0.00 -2.63 9.14 0.00 -1.92 -3.50 103.07 104.42 2kts h GLY 19 Ca 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.77 2kts h GLY 19 CO -0.61 0.00 -0.24 0.54 0.00 0.00 0.00 176.54 176.24 2kts s LYS 20 N -2.05 1.26 1.19 4.80 1.02 -1.24 -5.17 119.74 119.54 2kts s LYS 20 Ca -0.12 -1.15 -0.16 0.00 0.02 0.00 0.00 55.97 54.55 2kts s LYS 20 Cb 0.02 0.41 0.22 0.00 -0.52 0.00 0.00 37.83 37.96 2kts s LYS 20 CO 0.21 -0.49 0.53 -0.35 -0.92 0.00 0.00 175.35 174.34 2kts n PRO 21 N -0.27 -2.43 -4.36 -1.68 -0.04 -1.26 -1.73 135.00 123.23 2kts n PRO 21 Ca -0.06 -0.69 -0.21 0.00 -0.04 0.00 0.00 63.50 62.49 2kts n PRO 21 Cb 0.63 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 32.05 2kts n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kts s VAL 22 N -2.28 1.31 0.02 0.52 0.11 -1.26 -4.76 120.40 114.07 2kts s VAL 22 Ca 0.62 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2kts s VAL 22 Cb -0.18 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2kts s VAL 22 CO 0.63 -0.02 -0.06 0.42 -3.33 0.00 0.00 175.10 172.75 2kts s THR 23 N -0.98 3.70 -0.14 5.04 -4.23 -1.26 -5.05 115.64 112.73 2kts s THR 23 Ca 0.03 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.58 2kts s THR 23 Cb -0.09 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.15 2kts s THR 23 CO 0.02 0.33 0.37 -0.55 -0.54 0.00 0.00 174.62 174.25 2kts s SER 24 N -1.62 -0.40 0.12 3.99 0.15 -1.26 -4.75 113.70 109.92 2kts s SER 24 Ca 0.19 0.76 -0.33 0.00 0.70 0.00 0.00 55.95 57.26 2kts s SER 24 Cb -0.11 0.74 -0.12 0.00 -1.71 0.00 0.00 66.02 64.82 2kts s SER 24 CO 0.10 -0.14 1.56 -0.78 1.20 0.00 0.00 173.24 175.18 2kts h ASP 25 N 5.89 -1.59 0.00 5.45 3.58 -1.99 -3.43 116.42 124.32 2kts h ASP 25 Ca -0.29 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2kts h ASP 25 Cb 1.18 0.62 0.00 0.00 1.72 0.00 0.00 39.33 42.85 2kts h ASP 25 CO 0.28 -0.50 0.00 1.17 -2.88 0.00 0.00 179.24 177.32 2kts n LYS 26 N -5.45 0.00 -3.74 0.28 4.81 -1.26 -5.03 118.16 107.77 2kts n LYS 26 Ca -0.06 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.09 2kts n LYS 26 Cb 0.39 -0.10 -0.12 0.00 0.02 0.00 0.00 35.03 35.21 2kts n LYS 26 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kts s ASN 27 N 0.00 3.70 0.91 3.14 0.01 -1.26 -5.12 114.94 116.32 2kts s ASN 27 Ca 0.00 -3.30 -0.11 0.00 -0.71 0.00 0.00 52.86 48.74 2kts s ASN 27 Cb 0.00 -1.21 0.14 0.00 0.41 0.00 0.00 41.25 40.59 2kts s ASN 27 CO 0.00 -0.16 1.10 -2.16 -1.51 0.00 0.00 177.10 174.37 2kts s PRO 28 N -0.57 1.13 -1.00 -0.60 0.04 -1.26 -4.86 135.00 127.87 2kts s PRO 28 Ca 0.24 1.13 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2kts s PRO 28 Cb -0.09 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 2kts s PRO 28 CO -0.12 -2.42 2.09 -1.25 0.04 0.00 0.00 177.00 175.34 2kts s PRO 29 N -4.78 1.96 0.29 0.56 0.04 -1.26 -4.79 135.00 127.03 2kts s PRO 29 Ca 0.65 -0.40 0.07 0.00 0.04 0.00 0.00 61.00 61.36 2kts s PRO 29 Cb -0.20 -5.03 -0.03 0.00 0.04 0.00 0.00 34.50 29.28 2kts s PRO 29 CO 0.58 -4.35 0.25 -1.83 0.04 0.00 0.00 177.00 171.70 2kts s GLU 30 N 7.65 2.88 -0.01 4.56 -1.05 -1.26 -1.45 118.70 130.03 2kts s GLU 30 Ca 0.77 -1.13 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 2kts s GLU 30 Cb -0.06 -2.55 0.01 0.00 -0.44 0.00 0.00 34.13 31.08 2kts s GLU 30 CO 0.10 0.27 -0.01 -1.50 0.95 0.00 0.00 175.26 175.07 2kts s ILE 31 N -2.20 0.14 0.20 1.83 2.07 0.57 -2.05 121.20 121.76 2kts s ILE 31 Ca 0.37 -0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.62 2kts s ILE 31 Cb -0.07 -0.15 -0.05 0.00 0.13 0.00 0.00 42.46 42.32 2kts s ILE 31 CO 0.26 0.07 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.88 2kts s SER 32 N 0.26 1.80 0.24 4.50 0.01 0.01 -0.39 113.70 120.13 2kts s SER 32 Ca -0.02 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.12 2kts s SER 32 Cb -0.04 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 2kts s SER 32 CO -0.01 -0.45 0.02 -0.36 0.41 0.00 0.00 173.24 172.85 2kts s PHE 33 N -3.40 1.57 0.00 2.43 0.08 -1.26 -1.89 117.98 115.52 2kts s PHE 33 Ca 0.24 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.32 2kts s PHE 33 Cb 0.05 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 2kts s PHE 33 CO 0.06 -0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.49 2kts n GLY 34 N -0.44 2.99 2.39 4.36 0.00 -1.20 -4.36 105.19 108.93 2kts n GLY 34 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2kts n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kts n GLU 35 N -0.65 -5.13 -1.13 1.61 1.02 -1.26 -3.17 120.64 111.93 2kts n GLU 35 Ca 0.00 3.73 -0.04 0.00 -0.02 0.00 0.00 57.16 60.82 2kts n GLU 35 Cb 0.00 -4.76 -0.02 0.00 -0.02 0.00 0.00 31.44 26.64 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kts n LYS 36 N 1.85 -1.74 -3.52 3.49 5.02 -1.26 -0.16 118.16 121.84 2kts n LYS 36 Ca -0.05 0.63 -0.18 0.00 -2.02 0.00 0.00 58.31 56.68 2kts n LYS 36 Cb 0.08 -5.00 0.07 0.00 -0.02 0.00 0.00 35.03 30.16 2kts n LYS 36 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kts n MET 37 N -0.02 -6.10 -0.74 1.97 2.81 -1.26 -4.16 117.12 109.62 2kts n MET 37 Ca -0.04 0.78 -0.29 0.00 -1.81 0.00 0.00 57.70 56.33 2kts n MET 37 Cb 0.50 -5.65 0.21 0.00 -0.71 0.00 0.00 33.22 27.58 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 -5.57 -0.14 -0.03 0.03 1.75 0.77 -0.86 119.30 115.25 2kts s MET 38 Ca 0.01 0.92 0.02 0.00 -1.25 0.00 0.00 55.69 55.39 2kts s MET 38 Cb -0.00 -1.64 0.01 0.00 2.84 0.00 0.00 34.83 36.04 2kts s MET 38 CO 0.76 -3.22 -0.08 0.42 -0.65 0.00 0.00 175.02 172.24 2kts s ILE 39 N -2.62 0.74 0.08 10.11 1.01 -1.14 -3.25 121.20 126.13 2kts s ILE 39 Ca 0.67 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.07 2kts s ILE 39 Cb -0.23 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 2kts s ILE 39 CO 0.62 0.25 -0.13 -0.44 0.00 0.00 0.00 174.94 175.24 2kts s SER 40 N 0.45 1.60 -0.05 3.58 0.01 -0.79 -3.42 113.70 115.08 2kts s SER 40 Ca -0.07 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 2kts s SER 40 Cb -0.11 -0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.19 2kts s SER 40 CO 0.01 -0.14 1.33 -0.83 0.41 0.00 0.00 173.24 174.02 2kts s GLY 41 N -1.98 -0.21 -0.44 3.44 0.00 -1.16 -0.81 107.32 106.16 2kts s GLY 41 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.97 2kts s GLY 41 CO 0.02 5.44 0.52 -1.35 0.00 0.00 0.00 173.10 177.73 2kts s SER 42 N -3.77 -0.05 0.14 1.64 1.04 -0.87 -2.30 113.70 109.54 2kts s SER 42 Ca 0.29 -1.85 -0.17 0.00 0.48 0.00 0.00 55.95 54.69 2kts s SER 42 Cb 0.01 0.99 -0.01 0.00 0.10 0.00 0.00 66.02 67.10 2kts s SER 42 CO -0.02 -0.16 1.77 0.24 0.98 0.00 0.00 173.24 176.05 2kts h MET 43 N 6.05 0.47 0.00 4.02 2.86 -1.87 -3.35 114.93 123.11 2kts h MET 43 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2kts h MET 43 Cb 1.06 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2kts h MET 43 CO 0.16 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.48 2kts n ASN 45 N -2.81 0.07 -1.31 0.00 3.02 -1.26 -4.96 115.26 108.01 2kts n ASN 45 Ca 0.00 -1.46 0.15 0.00 -0.03 0.00 0.00 54.58 53.24 2kts n ASN 45 Cb 0.00 -0.04 -0.07 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.44 -2.75 -3.63 3.52 5.12 -1.26 -1.06 116.66 116.16 2kts n ARG 46 Ca 0.00 2.16 -0.06 0.00 -1.93 0.00 0.00 57.85 58.03 2kts n ARG 46 Cb 0.02 -3.33 -0.02 0.00 -1.16 0.00 0.00 32.46 27.97 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 -3.89 -0.23 -0.27 -1.55 -0.12 -0.97 -3.93 117.98 107.02 2kts s PHE 47 Ca 0.00 0.01 -0.26 0.00 -0.05 0.00 0.00 56.93 56.63 2kts s PHE 47 Cb 0.00 0.59 0.13 0.00 -0.63 0.00 0.00 43.02 43.10 2kts s PHE 47 CO 0.00 -0.68 1.04 -1.12 -0.05 0.00 0.00 175.22 174.41 2kts s SER 48 N -2.73 -0.42 0.16 1.98 0.01 -1.23 -3.00 113.70 108.47 2kts s SER 48 Ca 0.09 0.77 -0.15 0.00 1.31 0.00 0.00 55.95 57.97 2kts s SER 48 Cb -0.01 0.77 0.02 0.00 0.21 0.00 0.00 66.02 67.01 2kts s SER 48 CO -0.03 -0.17 0.42 -0.83 0.41 0.00 0.00 173.24 173.04 2kts s GLY 49 N 0.04 -0.01 -1.04 3.44 0.00 -1.22 -1.91 107.32 106.62 2kts s GLY 49 Ca 0.03 -0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.15 2kts s GLY 49 CO -0.06 -0.43 2.11 -1.83 0.00 0.00 0.00 173.10 172.90 2kts s GLU 50 N -3.87 1.72 0.00 2.90 -1.05 -1.26 -2.87 118.70 114.26 2kts s GLU 50 Ca 0.09 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2kts s GLU 50 Cb 0.01 -5.02 0.00 0.00 -0.44 0.00 0.00 34.13 28.68 2kts s GLU 50 CO -0.05 -4.72 0.54 0.41 0.95 0.00 0.00 175.26 172.38 2kts n GLY 51 N 6.27 -2.07 1.94 -3.83 0.00 -0.93 -4.74 105.19 101.83 2kts n GLY 51 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2kts n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kts n LYS 52 N -0.98 -4.84 -4.00 1.61 4.81 -0.04 -4.33 118.16 110.39 2kts n LYS 52 Ca 0.00 3.47 -0.30 0.00 -0.87 0.00 0.00 58.31 60.61 2kts n LYS 52 Cb 0.00 -3.86 -0.16 0.00 0.02 0.00 0.00 35.03 31.02 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 -1.47 1.68 0.00 3.14 2.96 -1.26 -4.77 118.68 118.97 2kts s LEU 53 Ca 0.00 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2kts s LEU 53 Cb 0.00 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.55 2kts s LEU 53 CO 0.00 -0.07 0.00 -0.24 -1.32 0.00 0.00 176.35 174.72 2kts n SER 54 N 4.78 0.00 0.00 3.68 2.88 -1.26 -4.38 113.62 119.33 2kts n SER 54 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 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 0.59 -1.23 0.00 0.00 175.04 174.40 2kts n ASN 55 N 0.00 0.89 0.00 -3.46 4.13 -1.26 -4.95 115.26 110.61 2kts n ASN 55 Ca 0.00 -1.36 0.00 0.00 1.68 0.00 0.00 54.58 54.90 2kts n ASN 55 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kts n GLY 56 N -0.18 0.58 3.21 7.41 0.00 -1.26 -5.01 105.19 109.93 2kts n GLY 56 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 2.78 -0.40 1.61 2.12 -1.26 -1.27 118.70 121.92 2kts s GLU 57 Ca 0.00 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.51 2kts s GLU 57 Cb 0.00 -2.16 0.11 0.00 0.26 0.00 0.00 34.13 32.34 2kts s GLU 57 CO 0.00 0.21 0.16 -1.17 -0.54 0.00 0.00 175.26 173.91 2kts s LEU 58 N 0.26 4.97 0.70 2.70 2.96 -0.08 -4.65 118.68 125.54 2kts s LEU 58 Ca -0.15 -2.22 -0.07 0.00 -0.22 0.00 0.00 54.13 51.48 2kts s LEU 58 Cb -0.17 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.85 2kts s LEU 58 CO 0.07 -0.44 1.01 0.42 -1.32 0.00 0.00 176.35 176.10 2kts s THR 59 N 0.85 2.34 -0.25 3.68 -4.23 -1.26 -2.34 115.64 114.42 2kts s THR 59 Ca 0.11 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.33 2kts s THR 59 Cb -0.21 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 70.71 2kts s THR 59 CO -0.06 -0.02 0.19 0.00 -0.54 0.00 0.00 174.62 174.19 2kts s ALA 60 N -3.24 0.12 -0.02 3.99 0.00 0.92 -4.52 121.76 119.01 2kts s ALA 60 Ca 0.60 -0.48 0.32 0.00 0.00 0.00 0.00 51.96 52.40 2kts s ALA 60 Cb -0.11 -1.42 1.34 0.00 0.00 0.00 0.00 23.12 22.93 2kts s ALA 60 CO 0.45 -1.49 1.93 -0.22 0.00 0.00 0.00 175.76 176.43 2kts h LYS 61 N 8.35 0.00 0.00 0.00 3.64 -1.82 -3.36 116.57 123.38 2kts h LYS 61 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2kts h LYS 61 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2kts h LYS 61 CO 0.36 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.95 2kts n GLY 62 N -0.08 -0.25 2.53 5.01 0.00 -1.26 -5.09 105.19 106.04 2kts n GLY 62 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.88 -6.39 -4.56 0.99 7.94 -1.24 -4.95 117.00 107.91 2kts n LEU 63 Ca 0.00 0.36 -0.30 0.00 -1.11 0.00 0.00 56.01 54.96 2kts n LEU 63 Cb 0.00 -2.80 -0.04 0.00 0.53 0.00 0.00 43.42 41.11 2kts n LEU 63 CO 0.00 -1.69 1.41 0.00 -1.11 0.00 0.00 177.39 176.01 2kts s ALA 64 N -2.28 1.82 0.50 1.96 0.00 -0.80 -4.78 121.76 118.19 2kts s ALA 64 Ca 0.17 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.90 2kts s ALA 64 Cb -0.05 -4.49 0.05 0.00 0.00 0.00 0.00 23.12 18.63 2kts s ALA 64 CO 0.57 -4.54 0.69 -1.64 0.00 0.00 0.00 175.76 170.84 2kts s MET 65 N 6.96 2.55 0.00 0.00 -1.94 -1.26 -3.56 119.30 122.05 2kts s MET 65 Ca 0.68 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 2kts s MET 65 Cb -0.08 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.08 2kts s MET 65 CO 0.05 -0.59 0.00 0.25 -0.01 0.00 0.00 175.02 174.72 2kts n THR 66 N -2.08 0.00 -2.52 2.05 -2.24 -0.22 -4.98 114.28 104.28 2kts n THR 66 Ca 0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.92 2kts n THR 66 Cb 0.60 -0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.10 0.26 -1.66 -0.78 -4.01 -1.26 -4.95 116.66 104.16 2kts n ARG 67 Ca 0.00 -2.15 -0.30 0.00 -1.04 0.00 0.00 57.85 54.35 2kts n ARG 67 Cb 0.00 -0.20 0.22 0.00 -3.04 0.00 0.00 32.46 29.45 2kts n ARG 67 CO 0.00 0.00 0.00 -1.64 -3.04 0.00 0.00 177.63 172.95 2kts s MET 68 N -0.54 -0.32 0.39 2.89 -1.94 -1.26 -5.13 119.30 113.39 2kts s MET 68 Ca 0.31 -0.44 0.08 0.00 -1.71 0.00 0.00 55.69 53.93 2kts s MET 68 Cb 0.36 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.42 2kts s MET 68 CO -0.14 -3.05 0.24 -1.64 -0.01 0.00 0.00 175.02 170.41 2kts s MET 69 N -5.83 2.37 0.02 2.03 -1.94 -1.26 -4.94 119.30 109.76 2kts s MET 69 Ca 0.75 -1.66 -0.00 0.00 -1.71 0.00 0.00 55.69 53.07 2kts s MET 69 Cb -0.04 -2.17 -0.02 0.00 2.01 0.00 0.00 34.83 34.62 2kts s MET 69 CO 0.54 -0.08 -0.03 0.00 -0.01 0.00 0.00 175.02 175.45 2kts n ALA 71 N 1.56 1.68 -2.77 0.00 0.00 -1.26 -4.62 120.51 115.09 2kts n ALA 71 Ca -0.24 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.02 2kts n ALA 71 Cb 0.55 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.26 0.72 0.22 0.00 2.47 -1.26 -5.07 114.94 108.76 2kts s ASN 72 Ca 0.07 -0.22 0.18 0.00 0.42 0.00 0.00 52.86 53.31 2kts s ASN 72 Cb 0.10 -0.05 0.03 0.00 -1.45 0.00 0.00 41.25 39.87 2kts s ASN 72 CO 0.30 0.00 1.21 1.55 -3.72 0.00 0.00 177.10 176.45 2kts h PRO 73 N 5.62 0.00 -0.64 0.43 0.13 -1.95 -3.05 132.00 132.54 2kts h PRO 73 Ca -0.30 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2kts h PRO 73 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2kts h PRO 73 CO 0.48 0.31 0.42 0.37 -0.23 0.00 0.00 178.00 179.35 2kts h GLN 74 N 0.00 0.85 -0.43 0.86 4.15 -1.96 -0.62 115.11 117.95 2kts h GLN 74 Ca -0.05 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.33 2kts h GLN 74 Cb 1.35 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 2kts h GLN 74 CO 0.04 0.56 0.27 -0.07 -1.93 0.00 0.00 178.83 177.70 2kts h LEU 75 N 0.87 0.44 -0.03 -2.39 3.38 -1.82 -1.86 115.31 113.90 2kts h LEU 75 Ca 0.23 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2kts h LEU 75 Cb -0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2kts h LEU 75 CO -0.05 0.32 0.01 -1.13 0.09 0.00 0.00 178.44 177.67 2kts h ASN 76 N 0.54 0.04 -0.64 -0.43 -0.73 -1.49 -3.05 115.58 109.82 2kts h ASN 76 Ca 0.17 -0.24 0.09 0.00 1.87 0.00 0.00 56.30 58.19 2kts h ASN 76 Cb -0.01 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.53 2kts h ASN 76 CO -0.07 0.27 0.43 -0.08 -0.37 0.00 0.00 177.43 177.61 2kts h GLU 77 N -0.19 0.50 0.00 6.67 4.81 -0.95 -1.42 114.58 124.00 2kts h GLU 77 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kts h GLU 77 Cb 0.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2kts h GLU 77 CO 0.00 0.33 0.00 1.28 -0.73 0.00 0.00 179.01 179.89 2kts n LEU 78 N -4.48 0.55 -0.25 1.64 4.32 -0.72 -2.86 117.00 115.21 2kts n LEU 78 Ca 0.10 0.66 -0.00 0.00 -0.02 0.00 0.00 56.01 56.75 2kts n LEU 78 Cb 0.33 -0.62 0.21 0.00 -1.62 0.00 0.00 43.42 41.73 2kts n LEU 78 CO 0.34 -0.61 1.24 -2.24 -1.22 0.00 0.00 177.39 174.90 2kts h ASP 79 N 0.00 0.93 0.18 -1.43 2.03 -1.32 -1.95 116.42 114.86 2kts h ASP 79 Ca 0.00 -0.03 -0.28 0.00 -0.73 0.00 0.00 57.03 55.99 2kts h ASP 79 Cb 0.26 -0.23 0.02 0.00 -0.83 0.00 0.00 39.33 38.55 2kts h ASP 79 CO 0.00 0.68 -1.16 0.78 -1.03 0.00 0.00 179.24 178.52 2kts h ASN 80 N 1.09 0.79 -0.06 4.15 2.35 -1.73 -3.00 115.58 119.16 2kts h ASN 80 Ca 0.29 -0.70 0.04 0.00 -0.55 0.00 0.00 56.30 55.37 2kts h ASN 80 Cb -0.10 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 37.98 2kts h ASN 80 CO -0.06 1.51 -0.19 0.74 -1.65 0.00 0.00 177.43 177.78 2kts h THR 81 N 0.28 0.53 -0.45 2.81 2.02 -1.54 0.48 112.91 117.04 2kts h THR 81 Ca -0.15 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2kts h THR 81 Cb 1.82 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2kts h THR 81 CO 0.22 0.00 -0.04 -0.29 0.37 0.00 0.00 175.52 175.77 2kts h ILE 82 N -0.28 1.25 -0.16 3.11 6.09 -1.43 0.55 117.51 126.64 2kts h ILE 82 Ca 0.08 -1.06 0.02 0.00 -1.37 0.00 0.00 64.86 62.53 2kts h ILE 82 Cb 0.38 0.95 -0.02 0.00 0.47 0.00 0.00 36.82 38.60 2kts h ILE 82 CO -0.22 0.37 0.02 -1.28 -3.07 0.00 0.00 178.15 173.96 2kts h SER 83 N 0.71 -0.01 0.69 2.19 0.87 -1.27 -1.14 113.55 115.59 2kts h SER 83 Ca 0.13 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2kts h SER 83 Cb 0.50 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kts h SER 83 CO 0.03 0.02 0.00 1.21 -0.53 0.00 0.00 176.83 177.56 2kts n GLU 84 N -5.10 0.21 -0.10 2.24 2.13 0.11 -2.36 120.64 117.78 2kts n GLU 84 Ca -0.04 0.03 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2kts n GLU 84 Cb 0.08 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.20 2kts n GLU 84 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2kts n MET 85 N -1.38 0.54 0.20 5.31 2.81 0.14 -4.55 117.12 120.19 2kts n MET 85 Ca 0.10 0.56 0.04 0.00 -1.81 0.00 0.00 57.70 56.58 2kts n MET 85 Cb 0.26 -1.73 0.41 0.00 -0.71 0.00 0.00 33.22 31.45 2kts n MET 85 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2kts h LEU 86 N -1.00 0.00 0.60 4.03 -0.00 -1.16 -3.16 115.31 114.62 2kts h LEU 86 Ca -0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.57 2kts h LEU 86 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2kts h LEU 86 CO -0.17 0.31 -0.34 0.50 -0.00 0.00 0.00 178.44 178.74 2kts h LYS 87 N 0.00 -0.85 -0.08 1.13 1.63 -1.61 0.26 116.57 117.06 2kts h LYS 87 Ca -0.00 0.06 -0.18 0.00 -0.85 0.00 0.00 60.65 59.67 2kts h LYS 87 Cb 0.56 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2kts h LYS 87 CO 0.04 -0.57 -0.72 0.93 -3.45 0.00 0.00 179.45 175.68 2kts h GLU 88 N -0.88 0.40 0.00 1.90 5.08 -1.83 -3.41 114.58 115.85 2kts h GLU 88 Ca -0.07 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2kts h GLU 88 Cb 0.70 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kts h GLU 88 CO 0.09 0.96 0.00 0.41 -1.00 0.00 0.00 179.01 179.48 2kts n GLY 89 N 0.54 2.54 3.74 -3.84 0.00 -1.18 -4.92 105.19 102.07 2kts n GLY 89 Ca -0.04 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 3.39 -0.00 4.61 0.00 -0.99 -4.82 121.76 123.95 2kts s ALA 90 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 2kts s ALA 90 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2kts s ALA 90 CO 0.00 -0.20 1.67 -0.65 0.00 0.00 0.00 175.76 176.58 2kts s GLN 91 N -0.71 4.19 -0.24 0.00 1.11 0.12 -0.90 119.66 123.21 2kts s GLN 91 Ca 0.48 2.26 -0.07 0.00 0.01 0.00 0.00 55.36 58.05 2kts s GLN 91 Cb -0.30 -3.85 -0.02 0.00 -1.01 0.00 0.00 33.01 27.82 2kts s GLN 91 CO 0.37 -0.80 0.05 0.08 0.01 0.00 0.00 175.29 174.99 2kts s VAL 92 N 3.52 4.12 -0.26 1.09 1.01 -0.40 -1.73 120.40 127.75 2kts s VAL 92 Ca 0.74 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 2kts s VAL 92 Cb -0.36 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.18 2kts s VAL 92 CO 0.31 0.35 0.08 -1.81 0.00 0.00 0.00 175.10 174.03 2kts s ASP 93 N 1.59 3.50 -0.30 3.32 1.01 -0.57 -4.71 116.67 120.52 2kts s ASP 93 Ca 0.06 -1.25 -0.13 0.00 0.71 0.00 0.00 52.55 51.94 2kts s ASP 93 Cb -0.15 -0.67 -0.03 0.00 1.01 0.00 0.00 42.92 43.07 2kts s ASP 93 CO 0.02 -0.38 0.28 -0.22 0.21 0.00 0.00 175.17 175.09 2kts s LEU 94 N 1.79 4.17 0.00 1.23 2.96 -1.26 -0.37 118.68 127.20 2kts s LEU 94 Ca 0.05 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2kts s LEU 94 Cb -0.17 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.27 2kts s LEU 94 CO -0.20 -0.17 0.00 0.41 -1.32 0.00 0.00 176.35 175.07 2kts n THR 95 N 5.12 0.00 -0.17 3.68 -1.04 -0.21 -4.45 114.28 117.20 2kts n THR 95 Ca -0.11 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.86 2kts n THR 95 Cb 0.51 -1.96 0.02 0.00 -1.82 0.00 0.00 70.33 67.08 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts h ALA 96 N -1.94 0.13 0.00 2.41 0.00 -2.05 -3.34 119.26 114.48 2kts h ALA 96 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kts h ALA 96 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kts h ALA 96 CO 0.00 -0.57 0.00 0.27 0.00 0.00 0.00 179.25 178.95 2kts n ASN 97 N -5.42 0.44 -3.79 0.00 0.23 -1.26 -5.02 115.26 100.44 2kts n ASN 97 Ca 0.04 -1.20 -0.20 0.00 -0.53 0.00 0.00 54.58 52.69 2kts n ASN 97 Cb 0.33 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.86 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 -0.20 0.43 0.13 -3.83 0.74 -1.26 -1.28 119.66 114.40 2kts s GLN 98 Ca 0.00 0.11 -0.18 0.00 0.05 0.00 0.00 55.36 55.33 2kts s GLN 98 Cb 0.00 -0.72 -0.07 0.00 1.10 0.00 0.00 33.01 33.32 2kts s GLN 98 CO 0.00 -0.22 0.61 -0.51 -0.55 0.00 0.00 175.29 174.62 2kts s LEU 99 N 1.52 4.45 -0.20 3.68 1.43 -0.03 -1.04 118.68 128.48 2kts s LEU 99 Ca -0.02 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2kts s LEU 99 Cb -0.13 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kts s LEU 99 CO -0.03 0.18 -0.12 -0.89 0.23 0.00 0.00 176.35 175.71 2kts s THR 100 N -1.29 1.78 -0.40 5.49 2.01 0.50 -1.64 115.64 122.08 2kts s THR 100 Ca 0.35 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 2kts s THR 100 Cb -0.18 -1.79 0.10 0.00 0.01 0.00 0.00 72.50 70.64 2kts s THR 100 CO 0.20 0.24 0.19 -0.76 -0.69 0.00 0.00 174.62 173.79 2kts s LEU 101 N 1.35 5.10 0.16 4.42 2.01 -0.49 -1.52 118.68 129.72 2kts s LEU 101 Ca -0.01 -1.92 0.10 0.00 0.01 0.00 0.00 54.13 52.32 2kts s LEU 101 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 2kts s LEU 101 CO -0.09 -0.51 -0.19 0.00 1.01 0.00 0.00 176.35 176.56 2kts s ALA 102 N 1.17 2.65 0.35 4.21 0.00 -0.70 -0.35 121.76 129.08 2kts s ALA 102 Ca 0.07 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 2kts s ALA 102 Cb -0.22 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.42 2kts s ALA 102 CO -0.04 0.50 0.74 0.99 0.00 0.00 0.00 175.76 177.96 2kts s THR 103 N -1.45 0.00 -0.39 0.00 2.01 -1.13 -0.71 115.64 113.98 2kts s THR 103 Ca 0.20 -1.05 0.19 0.00 0.31 0.00 0.00 61.69 61.35 2kts s THR 103 Cb -0.09 -2.61 0.19 0.00 0.01 0.00 0.00 72.50 70.01 2kts s THR 103 CO 0.11 0.00 1.59 0.00 -0.69 0.00 0.00 174.62 175.62 2kts n ALA 104 N -0.51 1.20 -0.58 7.40 0.00 -1.26 -3.19 120.51 123.57 2kts n ALA 104 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kts n ALA 104 Cb 0.60 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2kts n ALA 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kts n LYS 105 N -2.14 0.00 -3.86 0.00 3.00 -1.26 -5.08 118.16 108.83 2kts n LYS 105 Ca -0.00 0.21 -0.05 0.00 -0.00 0.00 0.00 58.31 58.47 2kts n LYS 105 Cb 0.08 -0.87 0.02 0.00 0.00 0.00 0.00 35.03 34.26 2kts n LYS 105 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kts s GLN 106 N -0.87 1.65 0.01 1.64 -0.21 -1.19 -5.16 119.66 115.52 2kts s GLN 106 Ca 0.00 -1.06 0.04 0.00 0.02 0.00 0.00 55.36 54.36 2kts s GLN 106 Cb 0.00 0.46 -0.01 0.00 1.00 0.00 0.00 33.01 34.46 2kts s GLN 106 CO 0.00 -0.77 -0.12 -0.08 -2.12 0.00 0.00 175.29 172.20 2kts s THR 107 N -2.23 0.91 0.14 -0.19 -1.32 -1.26 -2.85 115.64 108.84 2kts s THR 107 Ca 0.19 -0.62 0.08 0.00 -1.21 0.00 0.00 61.69 60.13 2kts s THR 107 Cb -0.04 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.13 2kts s THR 107 CO 0.07 0.16 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.71 2kts s LEU 108 N -0.53 2.41 -0.18 9.08 1.02 0.52 -1.71 118.68 129.29 2kts s LEU 108 Ca 0.03 -0.82 0.01 0.00 0.02 0.00 0.00 54.13 53.36 2kts s LEU 108 Cb -0.05 -0.76 0.03 0.00 0.02 0.00 0.00 46.19 45.43 2kts s LEU 108 CO 0.00 -0.05 -0.14 -0.89 0.02 0.00 0.00 176.35 175.29 2kts s THR 109 N -1.95 1.75 0.27 5.49 2.01 -0.47 -1.39 115.64 121.35 2kts s THR 109 Ca 0.13 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.32 2kts s THR 109 Cb -0.06 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2kts s THR 109 CO 0.05 0.36 0.13 -0.31 -0.69 0.00 0.00 174.62 174.16 2kts s TYR 110 N 1.39 2.92 0.08 4.92 1.51 -0.65 -1.95 117.35 125.56 2kts s TYR 110 Ca 0.02 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 2kts s TYR 110 Cb -0.14 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 2kts s TYR 110 CO -0.10 0.52 -0.15 0.21 -1.11 0.00 0.00 175.55 174.92 2kts s LYS 111 N -3.79 2.05 0.00 -0.62 2.47 0.05 -0.85 119.74 119.04 2kts s LYS 111 Ca 0.33 -1.02 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 2kts s LYS 111 Cb -0.07 -2.23 0.00 0.00 -1.46 0.00 0.00 37.83 34.07 2kts s LYS 111 CO 0.23 0.52 1.23 -0.11 0.16 0.00 0.00 175.35 177.38 2kts n LEU 112 N 1.11 3.33 -4.56 5.43 7.94 -0.40 -2.60 117.00 127.24 2kts n LEU 112 Ca -0.15 -1.52 -0.37 0.00 -1.11 0.00 0.00 56.01 52.86 2kts n LEU 112 Cb 0.52 -0.69 -0.03 0.00 0.53 0.00 0.00 43.42 43.75 2kts n LEU 112 CO 0.29 0.62 1.52 0.00 -1.11 0.00 0.00 177.39 178.71 2kts s ALA 113 N 0.60 2.50 -0.84 1.96 0.00 -1.26 -4.85 121.76 119.87 2kts s ALA 113 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2kts s ALA 113 Cb 0.00 -4.56 0.34 0.00 0.00 0.00 0.00 23.12 18.90 2kts s ALA 113 CO 0.00 -3.95 1.67 -0.40 0.00 0.00 0.00 175.76 173.09 2kts n ASP 114 N 10.31 6.68 0.00 0.00 5.75 -1.26 -4.75 116.55 133.28 2kts n ASP 114 Ca 0.38 -3.74 0.02 0.00 -0.01 0.00 0.00 54.79 51.44 2kts n ASP 114 Cb 0.49 -0.97 0.11 0.00 -1.03 0.00 0.00 41.12 39.72 2kts n ASP 114 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kts n LEU 115 N -0.28 0.00 0.23 -2.12 -0.00 -1.26 -1.69 117.00 111.88 2kts n LEU 115 Ca 0.46 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.59 2kts n LEU 115 Cb 0.31 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 43.98 2kts n LEU 115 CO 0.47 0.00 0.83 0.00 -0.00 0.00 0.00 177.39 178.69 2kts h MET 116 N 0.00 0.00 -0.01 1.47 -0.00 -2.01 -3.55 114.93 110.83 2kts h MET 116 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kts h MET 116 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kts h MET 116 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.91 177.18