#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kts s VAL 2 N 0.00 2.24 0.20 1.12 1.01 -1.26 -5.08 120.40 118.64 2kts s VAL 2 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2kts s VAL 2 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2kts s VAL 2 CO 0.00 -0.08 0.02 0.42 0.00 0.00 0.00 175.10 175.46 2kts s THR 3 N -2.24 0.71 0.31 3.92 -4.23 -1.26 -4.86 115.64 108.00 2kts s THR 3 Ca 0.71 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2kts s THR 3 Cb -0.27 -2.26 0.17 0.00 1.34 0.00 0.00 72.50 71.48 2kts s THR 3 CO 0.50 -0.36 1.87 1.55 -0.54 0.00 0.00 174.62 177.64 2kts h PRO 4 N 2.60 0.71 -0.16 3.99 0.13 -1.98 -3.32 132.00 133.97 2kts h PRO 4 Ca -0.37 -0.13 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2kts h PRO 4 Cb 1.22 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2kts h PRO 4 CO 0.63 0.65 -0.01 1.49 -0.23 0.00 0.00 178.00 180.53 2kts h GLU 5 N 0.69 0.04 -0.18 0.86 4.81 -2.01 -2.52 114.58 116.28 2kts h GLU 5 Ca 0.16 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2kts h GLU 5 Cb 0.26 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2kts h GLU 5 CO -0.00 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 178.31 2kts n GLN 6 N -5.14 0.43 0.00 1.92 10.64 -1.25 -3.62 117.38 120.37 2kts n GLN 6 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2kts n GLN 6 Cb 0.09 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 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 -0.17 0.04 0.00 2.61 4.77 -0.98 -4.82 117.00 118.45 2kts n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kts n LEU 7 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2kts n LEU 7 CO 0.00 -0.34 0.20 0.00 -1.33 0.00 0.00 177.39 175.92 2kts n GLN 8 N -2.59 0.00 -0.05 3.23 6.02 -1.02 -0.70 117.38 122.27 2kts n GLN 8 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2kts n GLN 8 Cb 0.13 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -0.88 0.00 -3.77 1.08 8.25 -1.24 -2.01 115.22 116.65 2kts n HIS 9 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2kts n HIS 9 Cb 0.02 0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 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 0.00 3.14 0.35 4.41 3.76 0.13 -4.94 115.29 122.13 2kts s HIS 10 Ca 0.00 -0.96 -0.27 0.00 -0.15 0.00 0.00 55.06 53.68 2kts s HIS 10 Cb 0.00 -2.25 -0.09 0.00 1.11 0.00 0.00 32.58 31.35 2kts s HIS 10 CO 0.00 -0.57 1.19 0.50 -0.85 0.00 0.00 174.74 175.01 2kts s ARG 11 N 1.50 4.27 0.28 1.40 3.52 -1.26 -3.90 118.95 124.76 2kts s ARG 11 Ca 0.03 1.93 0.07 0.00 -0.13 0.00 0.00 55.73 57.63 2kts s ARG 11 Cb -0.17 -2.90 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 2kts s ARG 11 CO 0.02 -0.16 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.22 2kts s PHE 12 N -1.28 1.96 0.03 5.12 0.40 0.17 -3.72 117.98 120.66 2kts s PHE 12 Ca 0.52 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2kts s PHE 12 Cb -0.33 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2kts s PHE 12 CO 0.43 0.30 -0.09 0.08 0.70 0.00 0.00 175.22 176.63 2kts s VAL 13 N -2.99 0.68 -0.93 -0.44 1.01 -0.82 -0.75 120.40 116.16 2kts s VAL 13 Ca 0.29 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2kts s VAL 13 Cb 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2kts s VAL 13 CO 0.12 -0.18 1.67 -0.22 0.00 0.00 0.00 175.10 176.49 2kts s LEU 14 N -1.18 3.33 0.14 3.92 2.96 -0.77 -1.69 118.68 125.39 2kts s LEU 14 Ca -0.04 -0.96 -0.13 0.00 -0.22 0.00 0.00 54.13 52.78 2kts s LEU 14 Cb -0.08 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.05 2kts s LEU 14 CO 0.01 -2.09 1.58 -0.08 -1.32 0.00 0.00 176.35 174.45 2kts h GLU 15 N 10.74 0.82 -2.17 1.98 4.22 -1.70 -3.44 114.58 125.03 2kts h GLU 15 Ca 0.10 -0.27 -0.02 0.00 0.08 0.00 0.00 59.36 59.25 2kts h GLU 15 Cb 1.02 -0.07 -0.18 0.00 0.50 0.00 0.00 28.75 30.02 2kts h GLU 15 CO 1.32 0.89 0.27 -1.54 -2.18 0.00 0.00 179.01 177.77 2kts s SER 16 N -6.34 -0.57 0.29 1.04 1.04 -0.68 -4.64 113.70 103.84 2kts s SER 16 Ca -0.12 0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.87 2kts s SER 16 Cb 0.11 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2kts s SER 16 CO 0.82 -0.65 -0.08 -0.69 0.98 0.00 0.00 173.24 173.62 2kts s VAL 17 N -1.88 2.84 0.27 5.02 1.01 -1.02 -1.15 120.40 125.49 2kts s VAL 17 Ca -0.06 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 59.80 2kts s VAL 17 Cb -0.00 -2.61 0.26 0.00 0.00 0.00 0.00 36.38 34.02 2kts s VAL 17 CO 0.02 -0.34 1.75 -1.13 0.00 0.00 0.00 175.10 175.40 2kts h ASN 18 N 2.02 0.52 0.00 3.32 -1.24 -1.85 -2.80 115.58 115.56 2kts h ASN 18 Ca -0.42 0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2kts h ASN 18 Cb 1.25 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2kts h ASN 18 CO 0.62 0.18 0.00 0.61 -1.29 0.00 0.00 177.43 177.55 2kts n GLY 19 N -1.33 -2.25 3.68 1.57 0.00 -1.26 -5.04 105.19 100.57 2kts n GLY 19 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.21 1.16 1.18 1.61 1.02 -1.05 -5.17 119.74 116.29 2kts s LYS 20 Ca 0.00 -0.59 -0.14 0.00 0.02 0.00 0.00 55.97 55.26 2kts s LYS 20 Cb 0.00 0.43 0.28 0.00 -0.52 0.00 0.00 37.83 38.02 2kts s LYS 20 CO 0.00 -0.53 0.89 -0.35 -0.92 0.00 0.00 175.35 174.44 2kts n PRO 21 N -0.41 -2.47 -3.97 -1.68 -0.04 -1.26 -2.44 135.00 122.74 2kts n PRO 21 Ca -0.07 -0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 62.48 2kts n PRO 21 Cb 0.61 -2.10 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.37 4.02 -0.45 0.52 1.01 -1.26 -4.84 120.40 117.03 2kts s VAL 22 Ca 0.67 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2kts s VAL 22 Cb -0.24 -3.30 0.17 0.00 0.00 0.00 0.00 36.38 33.01 2kts s VAL 22 CO 0.66 -0.27 0.35 0.42 0.00 0.00 0.00 175.10 176.26 2kts s THR 23 N -2.21 0.70 -0.31 3.92 -4.23 -1.26 -5.05 115.64 107.19 2kts s THR 23 Ca 0.37 -2.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.07 2kts s THR 23 Cb -0.07 -1.49 0.10 0.00 1.34 0.00 0.00 72.50 72.38 2kts s THR 23 CO 0.26 -1.18 0.08 -0.44 -0.54 0.00 0.00 174.62 172.80 2kts s SER 24 N -0.07 4.19 0.30 3.99 0.01 -1.26 -5.00 113.70 115.86 2kts s SER 24 Ca 0.30 -1.74 0.26 0.00 1.31 0.00 0.00 55.95 56.09 2kts s SER 24 Cb 0.00 -1.06 0.89 0.00 0.21 0.00 0.00 66.02 66.06 2kts s SER 24 CO -0.18 -0.40 1.76 0.44 0.41 0.00 0.00 173.24 175.28 2kts h ASP 25 N 7.97 0.00 -3.66 2.44 3.32 -2.01 -3.40 116.42 121.08 2kts h ASP 25 Ca -0.11 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 2kts h ASP 25 Cb 1.02 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.28 2kts h ASP 25 CO 0.48 0.00 -0.58 -0.75 -1.72 0.00 0.00 179.24 176.66 2kts s LYS 26 N -3.27 0.12 -0.93 3.56 2.20 -1.26 -4.95 119.74 115.22 2kts s LYS 26 Ca 0.07 0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.81 2kts s LYS 26 Cb 0.10 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 2kts s LYS 26 CO 0.52 -0.07 0.66 0.09 -0.36 0.00 0.00 175.35 176.20 2kts n ASN 27 N 3.41 -5.26 -4.14 1.43 3.02 -1.26 -4.96 115.26 107.50 2kts n ASN 27 Ca -0.17 -0.90 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 2kts n ASN 27 Cb 0.57 -2.50 0.24 0.00 -0.61 0.00 0.00 39.78 37.48 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 -5.26 -1.13 -0.83 3.52 0.04 -1.26 -4.92 135.00 125.16 2kts s PRO 28 Ca 0.17 0.34 -0.25 0.00 0.04 0.00 0.00 61.00 61.30 2kts s PRO 28 Cb -0.08 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2kts s PRO 28 CO 0.88 -3.74 1.76 -1.25 0.04 0.00 0.00 177.00 174.69 2kts s PRO 29 N -4.97 2.84 0.59 0.56 0.04 -1.26 -4.78 135.00 128.02 2kts s PRO 29 Ca 0.68 -0.20 0.07 0.00 0.04 0.00 0.00 61.00 61.60 2kts s PRO 29 Cb -0.17 -4.84 0.09 0.00 0.04 0.00 0.00 34.50 29.62 2kts s PRO 29 CO 0.59 -2.85 0.81 -1.83 0.04 0.00 0.00 177.00 173.76 2kts s GLU 30 N 6.50 2.23 -0.18 4.56 1.03 -1.26 -1.84 118.70 129.74 2kts s GLU 30 Ca 0.61 -1.50 -0.04 0.00 0.03 0.00 0.00 54.97 54.07 2kts s GLU 30 Cb -0.07 -2.59 0.09 0.00 -0.80 0.00 0.00 34.13 30.75 2kts s GLU 30 CO 0.05 -0.93 0.28 -1.50 -1.33 0.00 0.00 175.26 171.84 2kts s ILE 31 N -2.73 -0.44 0.27 1.83 2.07 0.07 -4.44 121.20 117.83 2kts s ILE 31 Ca 0.62 0.06 0.11 0.00 -1.41 0.00 0.00 60.65 60.03 2kts s ILE 31 Cb -0.06 -0.62 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 2kts s ILE 31 CO 0.40 -0.05 -0.09 -0.44 -1.91 0.00 0.00 174.94 172.84 2kts s SER 32 N 2.43 4.11 0.09 4.50 0.01 -1.26 -0.65 113.70 122.93 2kts s SER 32 Ca 0.06 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 56.56 2kts s SER 32 Cb -0.14 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 2kts s SER 32 CO -0.12 0.02 -0.13 -0.36 0.41 0.00 0.00 173.24 173.06 2kts s PHE 33 N -2.36 1.26 0.45 2.43 0.40 -1.25 -2.91 117.98 116.01 2kts s PHE 33 Ca 0.30 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2kts s PHE 33 Cb -0.06 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.79 2kts s PHE 33 CO 0.17 0.08 0.07 0.41 0.70 0.00 0.00 175.22 176.66 2kts n GLY 34 N 0.89 3.47 0.26 4.36 0.00 -1.13 -3.69 105.19 109.36 2kts n GLY 34 Ca -0.18 -2.34 0.12 0.00 0.00 0.00 0.00 46.02 43.61 2kts n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kts h GLU 35 N 0.00 0.00 -0.43 1.61 4.11 -1.76 0.17 114.58 118.27 2kts h GLU 35 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2kts h GLU 35 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2kts h GLU 35 CO 0.59 0.10 0.00 0.36 0.07 0.00 0.00 179.01 180.13 2kts n LYS 36 N -3.86 1.65 -1.28 1.06 2.85 -1.26 -4.89 118.16 112.42 2kts n LYS 36 Ca -0.02 -0.74 -0.10 0.00 -1.05 0.00 0.00 58.31 56.40 2kts n LYS 36 Cb 0.20 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 2kts n LYS 36 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2kts n MET 37 N 0.10 -1.67 -0.75 -1.58 2.81 0.59 -4.71 117.12 111.91 2kts n MET 37 Ca 0.07 0.83 -0.32 0.00 -1.81 0.00 0.00 57.70 56.46 2kts n MET 37 Cb 0.28 -5.23 0.14 0.00 -0.71 0.00 0.00 33.22 27.70 2kts n MET 37 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 2kts n MET 38 N -0.72 -0.43 -3.88 0.03 0.00 -1.20 -1.45 117.12 109.48 2kts n MET 38 Ca -0.10 -0.08 -0.25 0.00 0.00 0.00 0.00 57.70 57.28 2kts n MET 38 Cb 0.57 -2.00 -0.17 0.00 0.00 0.00 0.00 33.22 31.62 2kts n MET 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2kts s ILE 39 N -2.46 0.75 -0.45 1.12 1.01 -0.36 -2.83 121.20 117.98 2kts s ILE 39 Ca 0.60 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2kts s ILE 39 Cb -0.21 -0.82 0.14 0.00 0.01 0.00 0.00 42.46 41.58 2kts s ILE 39 CO 0.65 0.32 0.25 -0.44 0.00 0.00 0.00 174.94 175.72 2kts s SER 40 N 1.75 3.65 0.00 3.58 0.01 -1.15 -2.49 113.70 119.06 2kts s SER 40 Ca 0.04 -2.71 0.00 0.00 1.31 0.00 0.00 55.95 54.58 2kts s SER 40 Cb -0.13 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.04 2kts s SER 40 CO -0.06 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2kts n GLY 41 N 3.43 4.42 2.96 3.44 0.00 -1.17 -3.99 105.19 114.28 2kts n GLY 41 Ca 0.10 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.58 -0.64 0.05 1.61 0.15 -1.26 -3.28 113.70 109.75 2kts s SER 42 Ca 0.00 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.20 2kts s SER 42 Cb 0.00 0.98 -0.17 0.00 -1.71 0.00 0.00 66.02 65.12 2kts s SER 42 CO 0.00 -0.08 1.53 0.24 1.20 0.00 0.00 173.24 176.12 2kts h MET 43 N 6.29 -0.12 0.00 5.44 2.86 -1.89 -3.36 114.93 124.15 2kts h MET 43 Ca -0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kts h MET 43 Cb 1.21 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2kts h MET 43 CO -0.04 0.09 0.00 0.00 1.06 0.00 0.00 176.91 178.02 2kts n ASN 45 N -2.89 0.59 -1.36 0.00 5.03 -1.26 -4.80 115.26 110.56 2kts n ASN 45 Ca 0.00 -1.59 0.17 0.00 0.87 0.00 0.00 54.58 54.02 2kts n ASN 45 Cb 0.00 -0.29 -0.09 0.00 -1.02 0.00 0.00 39.78 38.38 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kts n ARG 46 N -0.06 -3.14 -3.46 3.52 5.12 -1.26 -1.04 116.66 116.35 2kts n ARG 46 Ca 0.00 2.55 -0.12 0.00 -1.93 0.00 0.00 57.85 58.35 2kts n ARG 46 Cb 0.15 -3.68 -0.03 0.00 -1.16 0.00 0.00 32.46 27.75 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 -4.11 -0.48 0.09 -1.55 -0.71 -1.21 -4.26 117.98 105.75 2kts s PHE 47 Ca 0.00 0.26 -0.15 0.00 -1.04 0.00 0.00 56.93 56.01 2kts s PHE 47 Cb 0.00 0.50 0.03 0.00 -1.21 0.00 0.00 43.02 42.34 2kts s PHE 47 CO 0.00 -0.82 0.35 -1.12 -1.34 0.00 0.00 175.22 172.30 2kts s SER 48 N -2.73 -0.16 -0.12 1.98 0.01 -0.74 -3.03 113.70 108.91 2kts s SER 48 Ca 0.01 -0.31 -0.33 0.00 1.31 0.00 0.00 55.95 56.63 2kts s SER 48 Cb -0.00 0.43 0.14 0.00 0.21 0.00 0.00 66.02 66.79 2kts s SER 48 CO -0.12 -0.77 1.35 -0.83 0.41 0.00 0.00 173.24 173.28 2kts s GLY 49 N -2.59 -0.39 -0.70 3.44 0.00 -1.04 -1.04 107.32 105.00 2kts s GLY 49 Ca 0.01 1.15 -0.22 0.00 0.00 0.00 0.00 44.72 45.66 2kts s GLY 49 CO -0.09 0.30 0.99 -0.54 0.00 0.00 0.00 173.10 173.75 2kts s GLU 50 N -2.21 3.19 1.20 2.90 2.02 -0.74 -1.23 118.70 123.84 2kts s GLU 50 Ca 0.13 -1.01 -0.13 0.00 0.02 0.00 0.00 54.97 53.98 2kts s GLU 50 Cb 0.04 -4.36 0.30 0.00 0.10 0.00 0.00 34.13 30.21 2kts s GLU 50 CO -0.05 -1.80 0.96 0.41 0.02 0.00 0.00 175.26 174.80 2kts n GLY 51 N 5.38 -2.18 3.40 -1.39 0.00 -0.53 -0.95 105.19 108.92 2kts n GLY 51 Ca 0.01 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 2kts n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kts s LYS 52 N -4.34 0.80 -0.01 1.61 2.20 -0.87 -4.67 119.74 114.47 2kts s LYS 52 Ca 0.68 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 2kts s LYS 52 Cb -0.25 0.37 -0.00 0.00 -1.51 0.00 0.00 37.83 36.44 2kts s LYS 52 CO 0.66 -0.21 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.21 2kts s LEU 53 N -0.80 1.99 0.00 5.43 2.96 -1.26 -3.34 118.68 123.66 2kts s LEU 53 Ca -0.09 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2kts s LEU 53 Cb -0.03 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.31 2kts s LEU 53 CO 0.05 0.08 0.00 -0.24 -1.32 0.00 0.00 176.35 174.92 2kts n SER 54 N 2.94 0.00 -0.06 3.68 2.88 -1.26 -4.92 113.62 116.88 2kts n SER 54 Ca -0.13 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.44 2kts n SER 54 Cb 0.57 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.08 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 1.78 -0.62 -3.46 3.02 -1.26 -4.97 115.26 109.75 2kts n ASN 55 Ca 0.00 -2.27 -0.08 0.00 -0.03 0.00 0.00 54.58 52.20 2kts n ASN 55 Cb 0.00 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kts n GLY 56 N -0.73 1.00 3.18 7.41 0.00 -1.26 -5.03 105.19 109.76 2kts n GLY 56 Ca 0.05 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.65 0.86 -0.17 1.61 2.12 -1.26 -3.71 118.70 115.50 2kts s GLU 57 Ca 0.00 -0.97 -0.01 0.00 0.36 0.00 0.00 54.97 54.35 2kts s GLU 57 Cb 0.00 -0.90 -0.01 0.00 0.26 0.00 0.00 34.13 33.49 2kts s GLU 57 CO 0.00 0.20 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.63 2kts s LEU 58 N -1.74 2.64 0.24 2.70 2.96 -0.70 -4.40 118.68 120.38 2kts s LEU 58 Ca -0.01 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.58 2kts s LEU 58 Cb -0.10 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 2kts s LEU 58 CO 0.02 0.07 -0.18 0.42 -1.32 0.00 0.00 176.35 175.37 2kts s THR 59 N 0.91 2.13 0.79 3.68 -4.23 -1.21 -1.46 115.64 116.25 2kts s THR 59 Ca -0.03 -2.28 -0.11 0.00 -1.18 0.00 0.00 61.69 58.09 2kts s THR 59 Cb -0.15 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.61 2kts s THR 59 CO -0.01 -0.46 1.16 0.00 -0.54 0.00 0.00 174.62 174.77 2kts s ALA 60 N -2.64 2.72 -0.06 3.99 0.00 0.24 -2.04 121.76 123.96 2kts s ALA 60 Ca 0.26 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2kts s ALA 60 Cb -0.03 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2kts s ALA 60 CO 0.11 -1.60 0.00 0.21 0.00 0.00 0.00 175.76 174.47 2kts s LYS 61 N -5.53 0.57 0.00 0.00 2.20 -0.12 -4.86 119.74 112.00 2kts s LYS 61 Ca 0.62 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2kts s LYS 61 Cb -0.11 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 2kts s LYS 61 CO 0.49 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2kts n GLY 62 N 4.99 2.63 3.14 5.54 0.00 -1.26 -1.79 105.19 118.44 2kts n GLY 62 Ca -0.10 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.46 -4.78 0.99 7.94 -1.25 -5.00 117.00 110.45 2kts n LEU 63 Ca 0.00 0.51 -0.36 0.00 -1.11 0.00 0.00 56.01 55.05 2kts n LEU 63 Cb 0.00 -2.01 -0.02 0.00 0.53 0.00 0.00 43.42 41.92 2kts n LEU 63 CO 0.00 -1.57 0.79 0.00 -1.11 0.00 0.00 177.39 175.49 2kts s ALA 64 N -1.28 2.93 0.04 1.96 0.00 -0.20 -4.91 121.76 120.30 2kts s ALA 64 Ca 0.08 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 2kts s ALA 64 Cb -0.01 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2kts s ALA 64 CO 0.34 -0.54 0.05 -1.33 0.00 0.00 0.00 175.76 174.28 2kts n MET 65 N -0.61 0.07 -1.76 0.00 2.81 -1.26 -1.79 117.12 114.58 2kts n MET 65 Ca 0.08 -0.33 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 2kts n MET 65 Cb 0.49 0.31 0.00 0.00 -0.71 0.00 0.00 33.22 33.32 2kts n MET 65 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2kts n THR 66 N -0.07 0.00 -1.50 2.03 -2.24 -0.20 -4.96 114.28 107.33 2kts n THR 66 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2kts n THR 66 Cb 0.07 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.00 1.59 0.00 -0.78 5.12 -1.26 -4.87 116.66 116.46 2kts n ARG 67 Ca 0.00 -3.19 0.00 0.00 -1.93 0.00 0.00 57.85 52.73 2kts n ARG 67 Cb 0.00 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 2kts n ARG 67 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2kts n MET 68 N -1.16 -0.46 -4.05 5.56 2.81 -1.26 -5.10 117.12 113.47 2kts n MET 68 Ca 0.20 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.96 2kts n MET 68 Cb 0.72 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.19 2kts n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kts s MET 69 N -2.91 1.86 -0.02 0.03 0.23 -1.26 -4.75 119.30 112.47 2kts s MET 69 Ca 0.00 -1.63 0.03 0.00 -1.03 0.00 0.00 55.69 53.06 2kts s MET 69 Cb 0.00 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 33.81 2kts s MET 69 CO 0.00 -0.78 0.87 0.00 -2.03 0.00 0.00 175.02 173.08 2kts n ALA 71 N -0.31 0.00 -2.70 0.00 0.00 -1.26 -4.92 120.51 111.32 2kts n ALA 71 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 2kts n ALA 71 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.42 6.55 0.13 0.00 2.47 -1.26 -5.03 114.94 117.37 2kts s ASN 72 Ca 0.00 0.64 -0.09 0.00 0.42 0.00 0.00 52.86 53.83 2kts s ASN 72 Cb 0.00 -2.12 -0.09 0.00 -1.45 0.00 0.00 41.25 37.59 2kts s ASN 72 CO 0.00 0.23 1.34 1.55 -3.72 0.00 0.00 177.10 176.50 2kts h PRO 73 N 3.94 0.65 -0.61 0.43 0.13 -2.00 -3.24 132.00 131.30 2kts h PRO 73 Ca -0.50 -0.55 0.11 0.00 -0.87 0.00 0.00 66.00 64.19 2kts h PRO 73 Cb 1.20 0.12 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 2kts h PRO 73 CO 0.66 1.16 0.17 0.37 -0.23 0.00 0.00 178.00 180.14 2kts h GLN 74 N 0.44 0.31 -0.48 0.86 4.15 -1.98 0.75 115.11 119.16 2kts h GLN 74 Ca -0.05 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 2kts h GLN 74 Cb 1.40 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 2kts h GLN 74 CO 0.15 0.21 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.12 2kts h LEU 75 N 0.32 0.82 -0.42 -2.39 3.38 -1.88 -0.70 115.31 114.44 2kts h LEU 75 Ca 0.32 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2kts h LEU 75 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2kts h LEU 75 CO -0.37 0.92 -0.72 -1.13 0.09 0.00 0.00 178.44 177.24 2kts h ASN 76 N 0.76 0.00 -0.33 -0.43 -0.73 -1.24 -2.09 115.58 111.52 2kts h ASN 76 Ca 0.13 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 2kts h ASN 76 Cb 0.55 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 2kts h ASN 76 CO 0.03 0.72 -0.06 -0.08 -0.37 0.00 0.00 177.43 177.66 2kts h GLU 77 N 0.00 0.73 0.00 6.67 4.57 -0.78 -3.15 114.58 122.62 2kts h GLU 77 Ca -0.01 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2kts h GLU 77 Cb 1.35 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2kts h GLU 77 CO 0.09 0.79 0.00 1.28 -1.18 0.00 0.00 179.01 179.99 2kts n LEU 78 N -4.19 0.46 0.15 1.64 4.32 -0.28 -2.02 117.00 117.08 2kts n LEU 78 Ca 0.02 0.61 -0.15 0.00 -0.02 0.00 0.00 56.01 56.46 2kts n LEU 78 Cb 0.33 -0.54 -0.08 0.00 -1.62 0.00 0.00 43.42 41.51 2kts n LEU 78 CO 0.42 -0.44 0.57 -0.78 -1.22 0.00 0.00 177.39 175.94 2kts h ASP 79 N 0.00 -1.31 0.31 -1.43 1.82 -1.47 -2.26 116.42 112.09 2kts h ASP 79 Ca 0.00 0.14 -0.22 0.00 -0.39 0.00 0.00 57.03 56.56 2kts h ASP 79 Cb 0.35 0.48 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2kts h ASP 79 CO 0.00 -0.53 -0.89 -0.55 -1.61 0.00 0.00 179.24 175.66 2kts h ASN 80 N -0.74 0.53 -0.44 2.28 7.08 -1.59 -2.21 115.58 120.49 2kts h ASN 80 Ca 0.00 -0.41 0.09 0.00 -3.08 0.00 0.00 56.30 52.90 2kts h ASN 80 Cb 0.73 -0.16 -0.10 0.00 -2.08 0.00 0.00 38.32 36.71 2kts h ASN 80 CO -0.21 1.19 -0.27 0.74 -2.08 0.00 0.00 177.43 176.80 2kts h THR 81 N 0.25 0.29 0.07 6.14 2.02 -1.42 -1.12 112.91 119.13 2kts h THR 81 Ca -0.07 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.84 2kts h THR 81 Cb 1.51 0.29 0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2kts h THR 81 CO 0.15 0.00 -1.13 -0.29 0.37 0.00 0.00 175.52 174.62 2kts h ILE 82 N -0.18 1.34 -0.43 3.11 6.09 -1.34 -2.98 117.51 123.11 2kts h ILE 82 Ca 0.20 -2.48 0.09 0.00 -1.37 0.00 0.00 64.86 61.30 2kts h ILE 82 Cb 0.50 2.59 -0.09 0.00 0.47 0.00 0.00 36.82 40.30 2kts h ILE 82 CO -0.55 0.75 -0.16 -1.28 -3.07 0.00 0.00 178.15 173.84 2kts h SER 83 N 0.27 -0.56 -0.29 2.19 0.87 -0.89 -2.36 113.55 112.78 2kts h SER 83 Ca -0.14 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2kts h SER 83 Cb 1.80 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 64.07 2kts h SER 83 CO 0.21 -0.19 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.92 2kts h GLU 84 N -0.07 0.56 0.00 2.24 3.07 -1.31 -2.21 114.58 116.86 2kts h GLU 84 Ca 0.21 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2kts h GLU 84 Cb 0.39 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2kts h GLU 84 CO -0.48 0.76 -0.12 0.52 -1.40 0.00 0.00 179.01 178.30 2kts h MET 85 N 0.32 0.00 0.00 2.33 2.86 -1.27 -1.01 114.93 118.17 2kts h MET 85 Ca 0.07 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.35 2kts h MET 85 Cb 0.55 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 2kts h MET 85 CO 0.03 0.12 -2.27 1.28 1.06 0.00 0.00 176.91 177.12 2kts n LEU 86 N -3.44 0.57 0.00 1.22 7.99 -1.08 -3.54 117.00 118.71 2kts n LEU 86 Ca -0.01 0.06 -0.13 0.00 -0.01 0.00 0.00 56.01 55.93 2kts n LEU 86 Cb 0.28 0.24 -0.09 0.00 -0.11 0.00 0.00 43.42 43.74 2kts n LEU 86 CO 0.29 0.54 0.71 0.11 -1.51 0.00 0.00 177.39 177.54 2kts h LYS 87 N 0.00 0.01 -0.00 3.23 1.57 -0.73 0.70 116.57 121.35 2kts h LYS 87 Ca -0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2kts h LYS 87 Cb 2.16 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.47 2kts h LYS 87 CO 0.03 0.34 -0.39 0.39 -0.57 0.00 0.00 179.45 179.25 2kts n GLU 88 N -4.92 0.25 0.00 3.15 1.02 -0.44 -4.79 120.64 114.90 2kts n GLU 88 Ca -0.08 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2kts n GLU 88 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2kts n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kts n GLY 89 N 1.45 -2.12 3.19 0.62 0.00 -1.23 -5.05 105.19 102.05 2kts n GLY 89 Ca 0.08 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.71 1.24 0.09 4.61 0.00 -0.54 -4.82 121.76 120.63 2kts s ALA 90 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 2kts s ALA 90 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 2kts s ALA 90 CO 0.00 0.05 1.35 -0.65 0.00 0.00 0.00 175.76 176.51 2kts s GLN 91 N -2.53 4.34 -0.57 0.00 1.11 -0.04 -1.72 119.66 120.24 2kts s GLN 91 Ca 0.05 2.00 0.05 0.00 0.01 0.00 0.00 55.36 57.47 2kts s GLN 91 Cb -0.05 -3.32 0.19 0.00 -1.01 0.00 0.00 33.01 28.82 2kts s GLN 91 CO 0.01 -0.42 0.49 1.55 0.01 0.00 0.00 175.29 176.93 2kts n VAL 92 N 4.06 0.59 -2.40 1.09 3.14 -1.24 -1.26 118.33 122.30 2kts n VAL 92 Ca 0.11 -4.37 -0.36 0.00 -2.96 0.00 0.00 64.34 56.76 2kts n VAL 92 Cb 0.43 -1.98 -0.02 0.00 -1.06 0.00 0.00 33.84 31.21 2kts n VAL 92 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2kts s ASP 93 N -1.12 6.29 -0.26 6.55 1.01 -0.75 -4.88 116.67 123.51 2kts s ASP 93 Ca 0.31 2.13 -0.03 0.00 0.71 0.00 0.00 52.55 55.67 2kts s ASP 93 Cb 0.04 -2.59 0.10 0.00 1.01 0.00 0.00 42.92 41.48 2kts s ASP 93 CO -0.15 -0.82 0.17 -0.22 0.21 0.00 0.00 175.17 174.36 2kts s LEU 94 N -3.15 0.27 1.22 1.23 2.96 -1.26 -0.77 118.68 119.18 2kts s LEU 94 Ca 0.64 -0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 53.40 2kts s LEU 94 Cb -0.23 -0.07 0.30 0.00 0.50 0.00 0.00 46.19 46.68 2kts s LEU 94 CO 0.28 -0.40 1.13 -0.89 -1.32 0.00 0.00 176.35 175.15 2kts s THR 95 N 2.19 1.56 0.48 3.68 2.01 -0.06 -4.91 115.64 120.59 2kts s THR 95 Ca 0.08 0.00 0.30 0.00 0.31 0.00 0.00 61.69 62.38 2kts s THR 95 Cb -0.16 -2.53 0.50 0.00 0.01 0.00 0.00 72.50 70.32 2kts s THR 95 CO -0.29 0.00 1.75 0.00 -0.69 0.00 0.00 174.62 175.39 2kts h ALA 96 N -2.63 2.81 0.00 7.40 0.00 -2.02 -3.03 119.26 121.79 2kts h ALA 96 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kts h ALA 96 Cb 1.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kts h ALA 96 CO 0.29 -1.23 0.00 0.27 0.00 0.00 0.00 179.25 178.58 2kts n ASN 97 N -4.39 0.00 -3.55 0.00 0.23 -1.26 -5.05 115.26 101.25 2kts n ASN 97 Ca 0.28 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.13 2kts n ASN 97 Cb 1.20 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.13 0.51 -3.83 0.74 -1.14 -0.59 119.66 115.48 2kts s GLN 98 Ca 0.00 0.17 -0.22 0.00 0.05 0.00 0.00 55.36 55.37 2kts s GLN 98 Cb 0.00 -1.25 -0.06 0.00 1.10 0.00 0.00 33.01 32.80 2kts s GLN 98 CO 0.00 -0.61 1.22 -1.17 -0.55 0.00 0.00 175.29 174.17 2kts s LEU 99 N 2.27 3.89 -0.28 3.68 2.96 -0.05 -0.88 118.68 130.27 2kts s LEU 99 Ca 0.05 2.42 -0.02 0.00 -0.22 0.00 0.00 54.13 56.35 2kts s LEU 99 Cb -0.15 -4.34 0.11 0.00 0.50 0.00 0.00 46.19 42.31 2kts s LEU 99 CO -0.10 -1.22 0.21 -0.89 -1.32 0.00 0.00 176.35 173.02 2kts s THR 100 N -1.52 -0.23 0.34 3.68 2.01 0.05 -1.67 115.64 118.29 2kts s THR 100 Ca 0.69 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 2kts s THR 100 Cb -0.31 -0.96 -0.10 0.00 0.01 0.00 0.00 72.50 71.14 2kts s THR 100 CO 0.37 -0.58 0.89 -0.76 -0.69 0.00 0.00 174.62 173.85 2kts s LEU 101 N 2.23 4.21 0.02 4.42 2.01 -0.01 -1.82 118.68 129.75 2kts s LEU 101 Ca 0.09 1.69 -0.05 0.00 0.01 0.00 0.00 54.13 55.86 2kts s LEU 101 Cb -0.15 -4.09 -0.01 0.00 0.01 0.00 0.00 46.19 41.95 2kts s LEU 101 CO -0.33 -0.14 0.09 0.00 1.01 0.00 0.00 176.35 176.98 2kts s ALA 102 N -1.78 -0.14 0.30 4.21 0.00 -0.39 -1.37 121.76 122.59 2kts s ALA 102 Ca 0.52 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 2kts s ALA 102 Cb -0.15 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2kts s ALA 102 CO 0.20 -0.25 0.52 0.95 0.00 0.00 0.00 175.76 177.18 2kts s THR 103 N -1.92 0.00 0.57 0.00 -4.23 -0.55 -0.86 115.64 108.65 2kts s THR 103 Ca -0.11 -1.42 0.20 0.00 -1.18 0.00 0.00 61.69 59.19 2kts s THR 103 Cb -0.05 -2.44 0.20 0.00 1.34 0.00 0.00 72.50 71.55 2kts s THR 103 CO -0.01 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 175.67 2kts h ALA 104 N 2.17 1.47 -1.24 3.99 0.00 -1.97 -3.03 119.26 120.65 2kts h ALA 104 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kts h ALA 104 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kts h ALA 104 CO 0.37 -0.47 0.00 1.63 0.00 0.00 0.00 179.25 180.79 2kts n LYS 105 N -2.66 0.00 -4.04 0.00 4.76 -1.26 -5.12 118.16 109.84 2kts n LYS 105 Ca -0.01 0.18 -0.14 0.00 -2.87 0.00 0.00 58.31 55.46 2kts n LYS 105 Cb 0.52 -0.59 -0.02 0.00 -1.84 0.00 0.00 35.03 33.09 2kts n LYS 105 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2kts s GLN 106 N -0.59 2.05 -0.05 1.97 -0.21 -1.15 -5.17 119.66 116.51 2kts s GLN 106 Ca 0.00 -1.75 -0.00 0.00 0.02 0.00 0.00 55.36 53.62 2kts s GLN 106 Cb 0.00 0.48 0.02 0.00 1.00 0.00 0.00 33.01 34.52 2kts s GLN 106 CO 0.00 -0.88 -0.02 -0.08 -2.12 0.00 0.00 175.29 172.19 2kts s THR 107 N -2.75 0.43 0.11 -0.19 -1.32 -1.26 -1.49 115.64 109.18 2kts s THR 107 Ca 0.28 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.87 2kts s THR 107 Cb -0.02 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 2kts s THR 107 CO 0.20 0.23 -0.26 -0.76 -2.21 0.00 0.00 174.62 171.82 2kts s LEU 108 N 1.38 2.35 -0.14 9.08 1.02 -0.47 -2.29 118.68 129.62 2kts s LEU 108 Ca -0.04 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.44 2kts s LEU 108 Cb -0.13 -1.28 0.01 0.00 0.02 0.00 0.00 46.19 44.81 2kts s LEU 108 CO -0.02 0.19 -0.20 -0.89 0.02 0.00 0.00 176.35 175.45 2kts s THR 109 N -1.03 1.92 0.28 5.49 2.01 -0.30 -0.83 115.64 123.19 2kts s THR 109 Ca 0.14 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.32 2kts s THR 109 Cb -0.10 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 2kts s THR 109 CO 0.06 0.52 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.12 2kts s TYR 110 N 0.90 2.02 -0.01 4.92 1.51 -0.67 -1.68 117.35 124.34 2kts s TYR 110 Ca -0.06 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 2kts s TYR 110 Cb -0.15 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2kts s TYR 110 CO -0.03 0.38 -0.16 0.21 -1.11 0.00 0.00 175.55 174.84 2kts s LYS 111 N -3.68 1.26 0.00 -0.62 2.36 -0.68 -0.87 119.74 117.51 2kts s LYS 111 Ca 0.29 -0.56 -0.02 0.00 -2.55 0.00 0.00 55.97 53.12 2kts s LYS 111 Cb 0.02 -1.22 -0.11 0.00 -1.05 0.00 0.00 37.83 35.47 2kts s LYS 111 CO 0.12 0.34 2.01 -0.11 1.55 0.00 0.00 175.35 179.25 2kts n LEU 112 N 2.68 3.12 -4.58 5.43 7.94 0.25 -1.94 117.00 129.91 2kts n LEU 112 Ca -0.14 -1.89 -0.41 0.00 -1.11 0.00 0.00 56.01 52.45 2kts n LEU 112 Cb 0.55 -0.79 -0.01 0.00 0.53 0.00 0.00 43.42 43.69 2kts n LEU 112 CO 0.24 0.74 1.82 0.00 -1.11 0.00 0.00 177.39 179.09 2kts s ALA 113 N 1.52 3.03 -0.97 1.96 0.00 -1.26 -4.91 121.76 121.13 2kts s ALA 113 Ca 0.28 -2.69 -0.18 0.00 0.00 0.00 0.00 51.96 49.37 2kts s ALA 113 Cb 0.13 -4.63 0.13 0.00 0.00 0.00 0.00 23.12 18.76 2kts s ALA 113 CO 0.00 -3.56 1.19 0.34 0.00 0.00 0.00 175.76 173.73 2kts s ASP 114 N 4.65 6.69 0.00 0.00 -1.08 -1.24 -4.50 116.67 121.18 2kts s ASP 114 Ca 0.54 -2.15 0.13 0.00 -0.52 0.00 0.00 52.55 50.55 2kts s ASP 114 Cb 0.03 -2.41 0.23 0.00 -1.46 0.00 0.00 42.92 39.31 2kts s ASP 114 CO 0.04 -1.04 1.11 0.18 0.52 0.00 0.00 175.17 175.99 2kts n LEU 115 N 6.53 2.61 -3.61 -1.34 4.77 -1.26 -4.99 117.00 119.71 2kts n LEU 115 Ca 0.26 -1.48 -0.04 0.00 -0.03 0.00 0.00 56.01 54.72 2kts n LEU 115 Cb 0.48 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 2kts n LEU 115 CO 0.53 0.58 1.04 -0.32 -1.33 0.00 0.00 177.39 177.88 2kts s MET 116 N -1.06 0.25 0.00 3.23 1.75 -1.26 -5.21 119.30 117.00 2kts s MET 116 Ca 0.22 -0.05 0.13 0.00 -1.25 0.00 0.00 55.69 54.75 2kts s MET 116 Cb 0.13 0.12 0.80 0.00 2.84 0.00 0.00 34.83 38.71 2kts s MET 116 CO 0.18 -0.10 1.22 0.09 -0.65 0.00 0.00 175.02 175.76