#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 0.50 -4.28 1.12 3.14 -1.26 -4.94 118.33 112.61 2kts n VAL 2 Ca 0.00 -0.13 -0.18 0.00 -2.96 0.00 0.00 64.34 61.08 2kts n VAL 2 Cb 0.00 -1.79 -0.11 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 4.50 1.47 0.07 1.55 -4.23 -1.26 -4.65 115.64 113.09 2kts s THR 3 Ca 0.96 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 59.28 2kts s THR 3 Cb -0.75 -1.79 -0.12 0.00 1.34 0.00 0.00 72.50 71.18 2kts s THR 3 CO 0.53 -0.53 1.60 1.55 -0.54 0.00 0.00 174.62 177.22 2kts h PRO 4 N 3.03 0.18 0.00 3.99 0.13 -1.92 -3.09 132.00 134.33 2kts h PRO 4 Ca -0.39 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kts h PRO 4 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kts h PRO 4 CO 0.57 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 2kts n GLU 5 N -4.89 0.11 -0.45 0.86 4.71 -1.26 -0.49 120.64 119.22 2kts n GLU 5 Ca -0.05 0.39 0.07 0.00 -0.01 0.00 0.00 57.16 57.55 2kts n GLU 5 Cb 0.13 -1.72 0.26 0.00 -1.01 0.00 0.00 31.44 29.09 2kts n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kts n GLN 6 N -1.92 3.00 0.00 3.49 10.64 -1.17 -4.53 117.38 126.89 2kts n GLN 6 Ca 0.02 -2.04 0.00 0.00 -1.83 0.00 0.00 57.00 53.15 2kts n GLN 6 Cb 0.17 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 27.82 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 0.71 0.80 0.00 2.61 4.77 0.35 -4.80 117.00 121.45 2kts n LEU 7 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2kts n LEU 7 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2kts n LEU 7 CO 0.18 0.01 0.16 0.00 -1.33 0.00 0.00 177.39 176.41 2kts n GLN 8 N -2.36 0.00 -0.03 3.23 3.00 -0.89 -0.58 117.38 119.75 2kts n GLN 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kts n GLN 8 Cb 0.25 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.11 2kts n GLN 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2kts n HIS 9 N -0.80 0.00 -3.77 1.08 8.25 -1.22 -4.08 115.22 114.68 2kts n HIS 9 Ca 0.00 -0.01 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 2kts n HIS 9 Cb 0.00 -0.00 -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 -0.02 1.22 0.49 4.41 3.76 0.25 -5.08 115.29 120.31 2kts s HIS 10 Ca 0.00 -0.96 -0.22 0.00 -0.15 0.00 0.00 55.06 53.73 2kts s HIS 10 Cb 0.00 -1.10 -0.07 0.00 1.11 0.00 0.00 32.58 32.52 2kts s HIS 10 CO 0.00 -0.62 1.18 0.50 -0.85 0.00 0.00 174.74 174.95 2kts s ARG 11 N 1.79 3.61 0.20 1.40 3.52 -1.26 -4.47 118.95 123.74 2kts s ARG 11 Ca -0.01 1.79 0.07 0.00 -0.13 0.00 0.00 55.73 57.44 2kts s ARG 11 Cb -0.17 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2kts s ARG 11 CO -0.08 -0.68 -0.11 -0.06 -0.81 0.00 0.00 175.30 173.56 2kts s PHE 12 N -1.56 1.64 0.02 5.12 0.40 -0.70 -4.12 117.98 118.77 2kts s PHE 12 Ca 0.66 -0.65 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 2kts s PHE 12 Cb -0.29 -0.81 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 2kts s PHE 12 CO 0.35 0.26 -0.12 0.54 0.70 0.00 0.00 175.22 176.95 2kts s VAL 13 N -3.09 0.93 -0.35 -0.44 0.11 -0.75 -1.40 120.40 115.41 2kts s VAL 13 Ca 0.23 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.26 2kts s VAL 13 Cb 0.01 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2kts s VAL 13 CO 0.06 0.09 1.68 -0.22 -3.33 0.00 0.00 175.10 173.38 2kts s LEU 14 N -0.72 3.54 -0.08 2.54 0.20 -1.18 -0.48 118.68 122.50 2kts s LEU 14 Ca 0.02 1.19 -0.13 0.00 0.69 0.00 0.00 54.13 55.89 2kts s LEU 14 Cb -0.06 -3.53 -0.29 0.00 -0.43 0.00 0.00 46.19 41.88 2kts s LEU 14 CO 0.00 -1.60 0.59 -0.08 -0.29 0.00 0.00 176.35 174.97 2kts h GLU 15 N 12.13 0.31 -2.51 1.98 4.81 -1.12 -3.44 114.58 126.74 2kts h GLU 15 Ca -0.32 -0.52 -0.09 0.00 -0.13 0.00 0.00 59.36 58.29 2kts h GLU 15 Cb 1.15 0.19 -0.22 0.00 0.63 0.00 0.00 28.75 30.50 2kts h GLU 15 CO 1.04 1.25 -0.10 -1.54 -0.73 0.00 0.00 179.01 178.94 2kts s SER 16 N -7.14 -0.50 1.01 1.04 1.04 -1.00 -4.28 113.70 103.86 2kts s SER 16 Ca -0.18 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 56.94 2kts s SER 16 Cb 0.05 0.87 0.20 0.00 0.10 0.00 0.00 66.02 67.24 2kts s SER 16 CO 0.80 -0.28 1.20 -0.69 0.98 0.00 0.00 173.24 175.25 2kts s VAL 17 N -0.16 1.89 0.23 5.02 1.01 -0.15 -1.02 120.40 127.21 2kts s VAL 17 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 2kts s VAL 17 Cb -0.03 -2.78 0.27 0.00 0.00 0.00 0.00 36.38 33.84 2kts s VAL 17 CO 0.02 0.00 1.59 -1.13 0.00 0.00 0.00 175.10 175.58 2kts h ASN 18 N -1.83 -0.94 0.03 3.32 -1.24 -1.85 -2.73 115.58 110.34 2kts h ASN 18 Ca -0.46 0.25 -0.00 0.00 0.71 0.00 0.00 56.30 56.79 2kts h ASN 18 Cb 1.29 0.55 0.00 0.00 0.73 0.00 0.00 38.32 40.89 2kts h ASN 18 CO 0.46 -0.28 -0.02 1.23 -1.29 0.00 0.00 177.43 177.53 2kts h GLY 19 N -0.04 -0.05 -2.85 1.57 0.00 -1.92 -3.50 103.07 96.28 2kts h GLY 19 Ca 0.34 0.02 -0.20 0.00 0.00 0.00 0.00 47.33 47.49 2kts h GLY 19 CO -0.81 -0.02 -0.65 0.54 0.00 0.00 0.00 176.54 175.61 2kts s LYS 20 N -1.46 0.96 1.01 4.80 1.02 -1.03 -5.11 119.74 119.93 2kts s LYS 20 Ca -0.01 -1.46 -0.17 0.00 0.02 0.00 0.00 55.97 54.35 2kts s LYS 20 Cb 0.00 0.21 0.26 0.00 -0.52 0.00 0.00 37.83 37.78 2kts s LYS 20 CO 0.02 -0.26 0.63 -0.35 -0.92 0.00 0.00 175.35 174.47 2kts n PRO 21 N -0.12 -3.83 -4.42 -1.68 -0.04 -1.26 -0.98 135.00 122.67 2kts n PRO 21 Ca -0.05 -1.05 -0.26 0.00 -0.04 0.00 0.00 63.50 62.10 2kts n PRO 21 Cb 0.64 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.86 2.28 -0.12 0.52 1.01 -1.26 -4.66 120.40 116.31 2kts s VAL 22 Ca 0.47 -2.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.34 2kts s VAL 22 Cb -0.08 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.25 2kts s VAL 22 CO 0.39 -0.20 0.11 0.28 0.00 0.00 0.00 175.10 175.68 2kts s THR 23 N -1.88 -0.15 -0.35 3.92 -1.32 -1.26 -5.06 115.64 109.55 2kts s THR 23 Ca 0.21 0.09 0.06 0.00 -1.21 0.00 0.00 61.69 60.85 2kts s THR 23 Cb -0.07 -0.42 0.18 0.00 -1.51 0.00 0.00 72.50 70.68 2kts s THR 23 CO 0.10 -0.07 0.57 -0.55 -2.21 0.00 0.00 174.62 172.46 2kts s SER 24 N 2.20 -1.15 -0.00 8.08 0.15 -1.26 -5.03 113.70 116.68 2kts s SER 24 Ca 0.04 -0.43 -0.00 0.00 0.70 0.00 0.00 55.95 56.25 2kts s SER 24 Cb -0.14 1.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 2kts s SER 24 CO -0.07 -0.25 1.90 0.47 1.20 0.00 0.00 173.24 176.49 2kts n ASP 25 N 4.89 5.11 0.00 5.45 9.92 -1.26 -2.95 116.55 137.71 2kts n ASP 25 Ca 0.08 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 51.96 2kts n ASP 25 Cb 0.54 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 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 1.39 0.00 -3.14 -1.24 4.81 -1.26 -5.02 118.16 113.70 2kts n LYS 26 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2kts n LYS 26 Cb 0.50 -0.07 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 2kts n LYS 26 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kts s ASN 27 N -2.84 0.08 1.00 3.14 6.03 -1.24 -5.15 114.94 115.96 2kts s ASN 27 Ca 0.00 -2.05 -0.13 0.00 -1.03 0.00 0.00 52.86 49.65 2kts s ASN 27 Cb 0.00 0.85 0.19 0.00 -3.03 0.00 0.00 41.25 39.26 2kts s ASN 27 CO 0.00 -0.15 1.11 -2.16 -2.03 0.00 0.00 177.10 173.87 2kts s PRO 28 N 0.82 0.39 -0.85 3.55 0.04 -1.15 -4.84 135.00 132.96 2kts s PRO 28 Ca 0.27 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 2kts s PRO 28 Cb -0.03 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2kts s PRO 28 CO -0.09 -2.73 2.02 -0.35 0.04 0.00 0.00 177.00 175.89 2kts n PRO 29 N -4.15 1.83 -1.80 0.56 -0.04 -1.26 -4.86 135.00 125.28 2kts n PRO 29 Ca 0.06 -1.60 -0.29 0.00 -0.04 0.00 0.00 63.50 61.63 2kts n PRO 29 Cb 0.58 -2.63 0.09 0.00 -0.04 0.00 0.00 33.50 31.51 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 4.04 1.94 0.02 0.54 -1.05 -1.26 -3.09 118.70 119.85 2kts s GLU 30 Ca 0.45 0.23 -0.06 0.00 -0.15 0.00 0.00 54.97 55.45 2kts s GLU 30 Cb 0.12 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.86 2kts s GLU 30 CO 0.02 -1.63 0.11 -1.50 0.95 0.00 0.00 175.26 173.21 2kts s ILE 31 N -3.46 0.11 0.17 1.83 2.07 -0.49 -3.44 121.20 117.99 2kts s ILE 31 Ca 0.62 -0.91 -0.08 0.00 -1.41 0.00 0.00 60.65 58.86 2kts s ILE 31 Cb -0.12 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 2kts s ILE 31 CO 0.51 -0.50 0.28 -0.94 -1.91 0.00 0.00 174.94 172.37 2kts s SER 32 N -1.80 0.05 -0.11 4.50 1.04 0.14 -1.72 113.70 115.80 2kts s SER 32 Ca -0.09 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.37 2kts s SER 32 Cb -0.04 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2kts s SER 32 CO -0.02 -0.90 0.24 -0.36 0.98 0.00 0.00 173.24 173.18 2kts s PHE 33 N -3.99 -0.34 0.23 5.02 0.08 -1.26 -1.59 117.98 116.13 2kts s PHE 33 Ca 0.19 0.81 -0.18 0.00 0.12 0.00 0.00 56.93 57.88 2kts s PHE 33 Cb 0.03 -0.02 0.02 0.00 -0.57 0.00 0.00 43.02 42.48 2kts s PHE 33 CO 0.01 -0.27 0.57 0.20 -0.10 0.00 0.00 175.22 175.63 2kts s GLY 34 N 1.75 0.03 -0.26 4.36 0.00 -1.25 -3.41 107.32 108.53 2kts s GLY 34 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 2kts s GLY 34 CO -0.08 -0.28 0.02 1.18 0.00 0.00 0.00 173.10 173.94 2kts n GLU 35 N -0.38 -2.95 -2.28 2.90 1.02 -1.26 -3.27 120.64 114.42 2kts n GLU 35 Ca -0.07 2.45 -0.06 0.00 -0.02 0.00 0.00 57.16 59.46 2kts n GLU 35 Cb 0.61 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.37 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 0.77 -0.93 -2.88 3.49 5.02 -1.26 -3.34 118.16 119.02 2kts n LYS 36 Ca 0.00 0.29 -0.22 0.00 -2.02 0.00 0.00 58.31 56.36 2kts n LYS 36 Cb 0.10 -3.99 0.02 0.00 -0.02 0.00 0.00 35.03 31.14 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 -1.65 -4.03 -0.98 1.97 1.56 -1.26 -4.70 117.12 108.04 2kts n MET 37 Ca -0.06 0.90 -0.29 0.00 -0.27 0.00 0.00 57.70 57.99 2kts n MET 37 Cb 0.55 -5.71 0.21 0.00 2.15 0.00 0.00 33.22 30.42 2kts n MET 37 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 2kts s MET 38 N -5.56 -0.35 -0.19 2.12 1.75 -1.20 -2.43 119.30 113.45 2kts s MET 38 Ca 0.23 0.46 -0.04 0.00 -1.25 0.00 0.00 55.69 55.10 2kts s MET 38 Cb -0.10 -1.65 0.06 0.00 2.84 0.00 0.00 34.83 35.98 2kts s MET 38 CO 0.29 -3.24 0.07 0.42 -0.65 0.00 0.00 175.02 171.90 2kts s ILE 39 N -2.83 0.21 0.03 10.11 1.01 -0.77 -3.97 121.20 124.99 2kts s ILE 39 Ca 0.67 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 2kts s ILE 39 Cb -0.19 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 2kts s ILE 39 CO 0.59 -0.28 0.54 -0.44 0.00 0.00 0.00 174.94 175.35 2kts s SER 40 N 2.00 6.97 0.36 3.58 0.01 -0.62 -2.04 113.70 123.95 2kts s SER 40 Ca 0.01 1.15 -0.14 0.00 1.31 0.00 0.00 55.95 58.27 2kts s SER 40 Cb -0.17 -2.34 0.06 0.00 0.21 0.00 0.00 66.02 63.79 2kts s SER 40 CO -0.10 0.22 0.76 0.61 0.41 0.00 0.00 173.24 175.14 2kts n GLY 41 N 2.04 1.01 3.19 3.44 0.00 -1.13 -0.69 105.19 113.05 2kts n GLY 41 Ca -0.10 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.70 2kts n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kts s SER 42 N -2.98 -1.54 0.01 1.61 1.04 -1.22 -1.74 113.70 108.88 2kts s SER 42 Ca 0.15 -0.50 -0.09 0.00 0.48 0.00 0.00 55.95 55.99 2kts s SER 42 Cb -0.05 1.96 -0.05 0.00 0.10 0.00 0.00 66.02 67.99 2kts s SER 42 CO 0.11 -0.20 0.90 0.24 0.98 0.00 0.00 173.24 175.26 2kts h MET 43 N 7.25 -0.31 0.00 4.02 2.86 -1.88 -3.37 114.93 123.50 2kts h MET 43 Ca 0.03 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2kts h MET 43 Cb 1.18 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2kts h MET 43 CO 0.11 -0.21 -0.01 0.00 1.06 0.00 0.00 176.91 177.87 2kts n ASN 45 N -3.49 2.54 -0.39 0.00 4.13 -1.26 -4.92 115.26 111.87 2kts n ASN 45 Ca 0.00 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.24 2kts n ASN 45 Cb 0.00 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kts n ARG 46 N 0.36 0.00 -3.59 3.52 3.00 -1.26 -0.29 116.66 118.40 2kts n ARG 46 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.88 2kts n ARG 46 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.92 2kts n ARG 46 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2kts s PHE 47 N 0.00 -0.01 0.03 -1.55 -0.71 -0.71 -3.81 117.98 111.21 2kts s PHE 47 Ca 0.00 -0.02 -0.28 0.00 -1.04 0.00 0.00 56.93 55.59 2kts s PHE 47 Cb 0.00 0.52 0.10 0.00 -1.21 0.00 0.00 43.02 42.42 2kts s PHE 47 CO 0.00 -0.10 0.85 -1.54 -1.34 0.00 0.00 175.22 173.09 2kts s SER 48 N -3.03 -0.38 0.00 1.98 1.04 -1.20 -2.84 113.70 109.26 2kts s SER 48 Ca 0.15 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2kts s SER 48 Cb 0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2kts s SER 48 CO -0.06 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2kts n GLY 49 N -0.28 0.77 3.55 7.32 0.00 -0.86 -2.62 105.19 113.06 2kts n GLY 49 Ca -0.10 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2kts n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kts s GLU 50 N -2.00 2.58 0.91 1.61 -1.05 -1.25 -1.84 118.70 117.65 2kts s GLU 50 Ca 0.00 0.73 -0.13 0.00 -0.15 0.00 0.00 54.97 55.42 2kts s GLU 50 Cb 0.00 -4.41 0.14 0.00 -0.44 0.00 0.00 34.13 29.42 2kts s GLU 50 CO 0.00 -2.78 1.18 0.20 0.95 0.00 0.00 175.26 174.81 2kts s GLY 51 N 8.57 1.61 -0.07 -3.83 0.00 -1.02 -3.67 107.32 108.93 2kts s GLY 51 Ca 0.71 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 44.47 2kts s GLY 51 CO 0.22 -0.11 0.58 1.25 0.00 0.00 0.00 173.10 175.03 2kts s LYS 52 N -5.49 0.91 -0.09 2.90 2.20 -1.17 -4.44 119.74 114.57 2kts s LYS 52 Ca 0.65 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 56.38 2kts s LYS 52 Cb -0.11 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2kts s LYS 52 CO 0.52 -0.26 0.29 -1.17 -0.36 0.00 0.00 175.35 174.37 2kts s LEU 53 N -1.02 0.90 0.38 5.43 2.96 -1.26 -3.77 118.68 122.29 2kts s LEU 53 Ca -0.10 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2kts s LEU 53 Cb -0.02 1.06 0.00 0.00 0.50 0.00 0.00 46.19 47.73 2kts s LEU 53 CO 0.07 -0.19 0.00 -0.24 -1.32 0.00 0.00 176.35 174.67 2kts n SER 54 N 2.49 -2.98 0.33 3.68 2.88 -1.26 -4.64 113.62 114.12 2kts n SER 54 Ca -0.15 0.71 -0.15 0.00 -1.33 0.00 0.00 58.87 57.95 2kts n SER 54 Cb 0.57 2.87 -0.07 0.00 -0.75 0.00 0.00 64.21 66.83 2kts n SER 54 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kts h ASN 55 N 0.00 -0.73 0.00 -3.46 -1.07 -1.97 -3.48 115.58 104.87 2kts h ASN 55 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2kts h ASN 55 Cb 0.00 0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 2kts h ASN 55 CO 0.00 -0.37 0.00 0.61 0.07 0.00 0.00 177.43 177.74 2kts n GLY 56 N -0.68 -0.26 2.83 9.14 0.00 -1.26 -4.88 105.19 110.07 2kts n GLY 56 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 1.06 -0.57 1.61 2.12 -1.26 -1.44 118.70 120.22 2kts s GLU 57 Ca 0.00 -0.31 -0.20 0.00 0.36 0.00 0.00 54.97 54.82 2kts s GLU 57 Cb 0.00 -1.72 0.08 0.00 0.26 0.00 0.00 34.13 32.75 2kts s GLU 57 CO 0.00 -0.43 0.72 -1.17 -0.54 0.00 0.00 175.26 173.85 2kts s LEU 58 N 1.78 5.02 0.41 2.70 2.96 0.36 -4.60 118.68 127.30 2kts s LEU 58 Ca 0.02 -1.11 0.01 0.00 -0.22 0.00 0.00 54.13 52.83 2kts s LEU 58 Cb -0.15 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 2kts s LEU 58 CO -0.07 -1.08 0.61 0.42 -1.32 0.00 0.00 176.35 174.90 2kts s THR 59 N 2.93 4.26 -0.26 3.68 -4.23 -1.25 -1.48 115.64 119.28 2kts s THR 59 Ca 0.15 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 2kts s THR 59 Cb -0.21 -3.55 0.13 0.00 1.34 0.00 0.00 72.50 70.21 2kts s THR 59 CO 0.10 -0.35 0.29 0.00 -0.54 0.00 0.00 174.62 174.11 2kts s ALA 60 N -2.44 -0.50 -1.26 3.99 0.00 0.02 -3.05 121.76 118.52 2kts s ALA 60 Ca 0.46 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 2kts s ALA 60 Cb -0.10 -1.68 0.14 0.00 0.00 0.00 0.00 23.12 21.48 2kts s ALA 60 CO 0.36 -1.55 1.65 1.17 0.00 0.00 0.00 175.76 177.39 2kts n LYS 61 N 5.32 3.33 0.00 0.00 4.81 -1.24 -4.48 118.16 125.90 2kts n LYS 61 Ca -0.03 -3.56 0.00 0.00 -0.87 0.00 0.00 58.31 53.85 2kts n LYS 61 Cb 0.48 -3.16 0.00 0.00 0.02 0.00 0.00 35.03 32.37 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 4.20 -0.54 2.97 3.14 0.00 -1.26 -4.81 105.19 108.89 2kts n GLY 62 Ca 0.42 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 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 4.90 -0.82 0.99 2.96 -1.26 -3.92 118.68 121.54 2kts s LEU 63 Ca 0.00 -3.57 -0.26 0.00 -0.22 0.00 0.00 54.13 50.09 2kts s LEU 63 Cb 0.00 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 45.00 2kts s LEU 63 CO 0.00 -0.16 1.47 0.00 -1.32 0.00 0.00 176.35 176.34 2kts s ALA 64 N -1.07 2.56 0.39 5.97 0.00 -1.08 -4.87 121.76 123.66 2kts s ALA 64 Ca 0.23 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2kts s ALA 64 Cb -0.11 -4.37 -0.06 0.00 0.00 0.00 0.00 23.12 18.58 2kts s ALA 64 CO -0.11 -3.61 0.04 0.00 0.00 0.00 0.00 175.76 172.09 2kts s MET 65 N 5.81 1.87 0.00 0.00 0.23 -1.26 -3.25 119.30 122.69 2kts s MET 65 Ca 0.46 -2.08 0.00 0.00 -1.03 0.00 0.00 55.69 53.03 2kts s MET 65 Cb -0.06 -1.17 0.00 0.00 -1.53 0.00 0.00 34.83 32.06 2kts s MET 65 CO 0.07 -0.21 0.00 0.25 -2.03 0.00 0.00 175.02 173.10 2kts n THR 66 N -0.89 0.00 -2.01 3.16 -2.24 0.61 -5.04 114.28 107.87 2kts n THR 66 Ca -0.06 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2kts n THR 66 Cb 0.67 -0.76 0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.39 0.48 0.00 -0.78 1.85 -1.26 -4.89 116.66 111.67 2kts n ARG 67 Ca 0.00 -2.06 0.00 0.00 -1.00 0.00 0.00 57.85 54.79 2kts n ARG 67 Cb 0.00 -0.64 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 2kts n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kts n MET 68 N -0.20 -0.62 -4.03 2.89 0.00 -1.26 -5.13 117.12 108.77 2kts n MET 68 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.61 2kts n MET 68 Cb 0.87 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 34.03 2kts n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kts n MET 69 N -1.29 0.47 -3.88 3.17 0.00 -1.26 -4.86 117.12 109.47 2kts n MET 69 Ca 0.00 -2.99 -0.09 0.00 0.00 0.00 0.00 57.70 54.61 2kts n MET 69 Cb 0.00 2.57 -0.06 0.00 0.00 0.00 0.00 33.22 35.73 2kts n MET 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kts n ALA 71 N -0.21 1.93 -3.16 0.00 0.00 -1.26 -4.69 120.51 113.13 2kts n ALA 71 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2kts n ALA 71 Cb 0.63 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.33 -0.21 0.34 0.00 2.47 -1.26 -5.05 114.94 109.91 2kts s ASN 72 Ca 0.00 0.31 0.18 0.00 0.42 0.00 0.00 52.86 53.77 2kts s ASN 72 Cb 0.00 0.43 0.43 0.00 -1.45 0.00 0.00 41.25 40.66 2kts s ASN 72 CO 0.00 -0.21 1.61 1.55 -3.72 0.00 0.00 177.10 176.33 2kts h PRO 73 N 5.10 0.00 -0.05 0.43 0.13 -2.00 -3.02 132.00 132.59 2kts h PRO 73 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2kts h PRO 73 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kts h PRO 73 CO 0.36 0.42 -0.06 0.37 -0.23 0.00 0.00 178.00 178.87 2kts h GLN 74 N 0.00 0.14 -0.62 0.86 4.15 -1.97 -1.90 115.11 115.76 2kts h GLN 74 Ca -0.00 -0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.42 2kts h GLN 74 Cb 1.11 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 2kts h GLN 74 CO 0.06 0.60 0.27 -0.07 -1.93 0.00 0.00 178.83 177.76 2kts h LEU 75 N -0.32 0.33 -0.98 -2.39 3.38 -1.88 -0.63 115.31 112.82 2kts h LEU 75 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kts h LEU 75 Cb 0.58 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2kts h LEU 75 CO 0.02 0.20 0.53 -1.13 0.09 0.00 0.00 178.44 178.14 2kts h ASN 76 N 0.49 1.10 0.87 -0.43 -0.73 -1.41 -3.01 115.58 112.47 2kts h ASN 76 Ca 0.31 -0.07 -0.23 0.00 1.87 0.00 0.00 56.30 58.17 2kts h ASN 76 Cb 0.33 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 2kts h ASN 76 CO -0.27 0.86 -1.14 -0.08 -0.37 0.00 0.00 177.43 176.43 2kts h GLU 77 N 1.26 0.04 0.00 6.67 4.22 -0.93 -3.32 114.58 122.52 2kts h GLU 77 Ca 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 2kts h GLU 77 Cb -0.03 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2kts h GLU 77 CO -0.06 0.97 -0.03 -0.07 -2.18 0.00 0.00 179.01 177.64 2kts h LEU 78 N 0.01 0.00 -0.64 1.64 3.38 -0.98 0.29 115.31 119.02 2kts h LEU 78 Ca -0.07 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2kts h LEU 78 Cb 1.83 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.46 2kts h LEU 78 CO 0.13 0.03 -0.12 -0.78 0.09 0.00 0.00 178.44 177.79 2kts h ASP 79 N 0.00 -0.52 0.18 -0.43 3.58 -1.65 -0.35 116.42 117.23 2kts h ASP 79 Ca -0.00 0.18 -0.21 0.00 0.42 0.00 0.00 57.03 57.42 2kts h ASP 79 Cb 0.08 0.37 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2kts h ASP 79 CO 0.00 -0.19 -0.82 0.78 -2.88 0.00 0.00 179.24 176.13 2kts h ASN 80 N 0.02 0.62 0.30 2.28 -0.26 -1.16 -1.37 115.58 116.01 2kts h ASN 80 Ca 0.31 -0.44 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 2kts h ASN 80 Cb 0.49 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 2kts h ASN 80 CO -0.63 1.21 -0.36 0.74 -1.06 0.00 0.00 177.43 177.33 2kts h THR 81 N 0.32 0.00 -0.58 2.81 2.02 -1.21 -2.63 112.91 113.64 2kts h THR 81 Ca -0.06 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2kts h THR 81 Cb 1.43 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2kts h THR 81 CO 0.15 0.00 0.02 -0.29 0.37 0.00 0.00 175.52 175.77 2kts h ILE 82 N -0.67 1.26 -0.06 3.11 6.09 -0.97 -0.72 117.51 125.56 2kts h ILE 82 Ca -0.04 -1.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.35 2kts h ILE 82 Cb 0.60 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 2kts h ILE 82 CO -0.08 0.40 0.03 -1.28 -3.07 0.00 0.00 178.15 174.15 2kts h SER 83 N 0.92 0.07 0.67 2.19 0.87 -1.29 -0.88 113.55 116.10 2kts h SER 83 Ca 0.17 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2kts h SER 83 Cb 0.51 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kts h SER 83 CO 0.02 0.13 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.28 2kts h GLU 84 N 0.01 0.00 0.14 2.24 4.57 -1.15 -3.15 114.58 117.23 2kts h GLU 84 Ca 0.02 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.86 2kts h GLU 84 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2kts h GLU 84 CO -0.00 0.09 -1.75 0.00 -1.18 0.00 0.00 179.01 176.17 2kts h MET 85 N 0.00 0.30 0.00 1.92 -0.00 -0.43 -3.34 114.93 113.38 2kts h MET 85 Ca -0.00 -0.51 -0.04 0.00 -0.00 0.00 0.00 59.70 59.15 2kts h MET 85 Cb 0.45 0.19 -0.01 0.00 -0.00 0.00 0.00 31.60 32.23 2kts h MET 85 CO 0.01 1.24 -0.21 -0.07 -0.00 0.00 0.00 176.91 177.88 2kts h LEU 86 N -0.05 0.00 0.30 -0.10 -0.00 -1.15 -3.05 115.31 111.27 2kts h LEU 86 Ca -0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.50 2kts h LEU 86 Cb 1.96 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 2kts h LEU 86 CO 0.10 0.21 -0.15 0.50 -0.00 0.00 0.00 178.44 179.10 2kts h LYS 87 N 0.00 -0.39 -0.23 1.13 1.63 -1.67 0.10 116.57 117.14 2kts h LYS 87 Ca -0.00 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.67 2kts h LYS 87 Cb 0.54 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2kts h LYS 87 CO 0.03 -0.12 -0.47 1.05 -3.45 0.00 0.00 179.45 176.49 2kts h GLU 88 N -0.65 0.73 0.00 1.90 4.11 -1.71 -3.43 114.58 115.52 2kts h GLU 88 Ca -0.04 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2kts h GLU 88 Cb 0.46 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kts h GLU 88 CO 0.07 1.10 0.00 0.41 0.07 0.00 0.00 179.01 180.65 2kts n GLY 89 N 0.41 1.88 3.75 1.06 0.00 -1.16 -4.89 105.19 106.25 2kts n GLY 89 Ca -0.05 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 3.50 -0.88 4.61 0.00 -0.55 -4.72 121.76 123.72 2kts s ALA 90 Ca 0.00 1.13 -0.25 0.00 0.00 0.00 0.00 51.96 52.84 2kts s ALA 90 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2kts s ALA 90 CO 0.00 -0.52 1.66 -0.65 0.00 0.00 0.00 175.76 176.26 2kts s GLN 91 N -0.79 3.03 -0.03 0.00 -1.52 0.59 -0.49 119.66 120.46 2kts s GLN 91 Ca 0.53 -0.46 -0.23 0.00 -1.95 0.00 0.00 55.36 53.24 2kts s GLN 91 Cb -0.37 -4.96 -0.04 0.00 -0.22 0.00 0.00 33.01 27.42 2kts s GLN 91 CO 0.43 -2.70 0.69 0.54 -0.25 0.00 0.00 175.29 174.00 2kts s VAL 92 N 7.50 4.94 0.04 1.09 0.11 -0.52 -2.42 120.40 131.14 2kts s VAL 92 Ca 0.56 1.44 0.01 0.00 -2.93 0.00 0.00 61.98 61.06 2kts s VAL 92 Cb -0.05 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 2kts s VAL 92 CO 0.01 0.31 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.42 2kts s ASP 93 N 0.38 0.67 -0.30 3.54 -1.08 -0.34 -4.57 116.67 114.98 2kts s ASP 93 Ca 0.36 -0.64 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 2kts s ASP 93 Cb -0.18 0.08 0.10 0.00 -1.46 0.00 0.00 42.92 41.45 2kts s ASP 93 CO 0.19 -0.31 0.10 -0.22 0.52 0.00 0.00 175.17 175.45 2kts s LEU 94 N -1.89 2.05 1.11 -1.34 2.96 -1.26 -0.65 118.68 119.67 2kts s LEU 94 Ca -0.07 -1.57 -0.13 0.00 -0.22 0.00 0.00 54.13 52.14 2kts s LEU 94 Cb -0.06 -0.81 0.25 0.00 0.50 0.00 0.00 46.19 46.07 2kts s LEU 94 CO -0.02 -0.41 1.05 -0.89 -1.32 0.00 0.00 176.35 174.76 2kts s THR 95 N 1.67 2.03 0.61 3.68 2.01 0.24 -4.75 115.64 121.12 2kts s THR 95 Ca 0.09 0.01 0.25 0.00 0.31 0.00 0.00 61.69 62.35 2kts s THR 95 Cb -0.17 -2.22 0.35 0.00 0.01 0.00 0.00 72.50 70.47 2kts s THR 95 CO -0.25 -0.01 1.50 0.00 -0.69 0.00 0.00 174.62 175.16 2kts h ALA 96 N -2.39 2.53 0.00 7.40 0.00 -2.03 -1.95 119.26 122.82 2kts h ALA 96 Ca -0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2kts h ALA 96 Cb 1.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kts h ALA 96 CO 0.53 -1.28 0.00 0.27 0.00 0.00 0.00 179.25 178.77 2kts n ASN 97 N -3.29 0.00 -3.90 0.00 0.23 -1.26 -5.07 115.26 101.97 2kts n ASN 97 Ca 0.15 -1.00 -0.30 0.00 -0.53 0.00 0.00 54.58 52.90 2kts n ASN 97 Cb 1.15 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.69 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 1.42 0.35 -3.83 0.74 -0.73 -1.71 119.66 115.89 2kts s GLN 98 Ca 0.00 -0.84 -0.26 0.00 0.05 0.00 0.00 55.36 54.31 2kts s GLN 98 Cb 0.00 -2.45 -0.09 0.00 1.10 0.00 0.00 33.01 31.57 2kts s GLN 98 CO 0.00 -0.59 1.06 -1.17 -0.55 0.00 0.00 175.29 174.04 2kts s LEU 99 N 1.51 4.30 -0.10 3.68 2.96 -1.20 -0.60 118.68 129.23 2kts s LEU 99 Ca -0.04 2.12 -0.01 0.00 -0.22 0.00 0.00 54.13 55.97 2kts s LEU 99 Cb -0.18 -3.97 0.03 0.00 0.50 0.00 0.00 46.19 42.56 2kts s LEU 99 CO -0.07 -0.35 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.69 2kts s THR 100 N -1.47 0.68 -0.28 3.68 2.01 0.18 -1.82 115.64 118.61 2kts s THR 100 Ca 0.53 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 2kts s THR 100 Cb -0.26 -0.81 0.05 0.00 0.01 0.00 0.00 72.50 71.49 2kts s THR 100 CO 0.32 0.26 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.72 2kts s LEU 101 N 1.84 3.68 0.22 4.42 2.01 -0.49 -1.20 118.68 129.17 2kts s LEU 101 Ca 0.04 -1.21 0.06 0.00 0.01 0.00 0.00 54.13 53.04 2kts s LEU 101 Cb -0.13 -1.68 -0.04 0.00 0.01 0.00 0.00 46.19 44.36 2kts s LEU 101 CO -0.07 -0.22 0.16 0.00 1.01 0.00 0.00 176.35 177.23 2kts s ALA 102 N 1.25 3.56 0.36 4.21 0.00 -1.02 -0.54 121.76 129.58 2kts s ALA 102 Ca -0.05 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 2kts s ALA 102 Cb -0.19 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.67 2kts s ALA 102 CO -0.02 0.35 0.67 2.41 0.00 0.00 0.00 175.76 179.17 2kts n THR 103 N -0.85 0.00 -0.34 0.00 -1.04 -0.95 -0.30 114.28 110.80 2kts n THR 103 Ca -0.08 -1.13 0.16 0.00 -2.04 0.00 0.00 64.05 60.96 2kts n THR 103 Cb 0.57 0.96 0.37 0.00 -1.82 0.00 0.00 70.33 70.41 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 2.00 1.82 0.26 2.41 0.00 -1.92 -3.18 119.26 120.64 2kts h ALA 104 Ca -0.30 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kts h ALA 104 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kts h ALA 104 CO 0.39 -0.20 -0.13 -0.22 0.00 0.00 0.00 179.25 179.09 2kts h LYS 105 N 0.65 -0.34 0.00 0.00 3.11 -1.93 -3.49 116.57 114.58 2kts h LYS 105 Ca 0.58 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.49 2kts h LYS 105 Cb 1.05 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 2kts h LYS 105 CO -0.36 -0.23 0.19 0.00 -2.81 0.00 0.00 179.45 176.24 2kts n GLN 106 N -3.01 0.26 -5.18 1.90 10.64 -1.20 -5.13 117.38 115.65 2kts n GLN 106 Ca -0.04 -0.57 -0.31 0.00 -1.83 0.00 0.00 57.00 54.25 2kts n GLN 106 Cb 0.14 0.75 -0.15 0.00 -0.86 0.00 0.00 30.24 30.12 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 -2.45 2.32 -0.03 -0.39 -1.32 -1.26 -2.24 115.64 110.27 2kts s THR 107 Ca 0.08 -1.03 0.05 0.00 -1.21 0.00 0.00 61.69 59.58 2kts s THR 107 Cb -0.01 -1.84 -0.01 0.00 -1.51 0.00 0.00 72.50 69.13 2kts s THR 107 CO 0.02 0.57 -0.19 -0.76 -2.21 0.00 0.00 174.62 172.05 2kts s LEU 108 N -0.68 2.00 0.02 9.08 1.43 0.30 -2.25 118.68 128.57 2kts s LEU 108 Ca 0.11 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 2kts s LEU 108 Cb -0.10 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 2kts s LEU 108 CO -0.00 0.21 -0.10 -0.89 0.23 0.00 0.00 176.35 175.80 2kts s THR 109 N -0.27 3.41 0.34 5.49 2.01 -0.19 -1.39 115.64 125.03 2kts s THR 109 Ca 0.03 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.14 2kts s THR 109 Cb -0.09 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 2kts s THR 109 CO 0.00 0.35 0.09 -0.31 -0.69 0.00 0.00 174.62 174.07 2kts s TYR 110 N -1.00 1.80 0.03 4.92 1.51 -0.76 -0.59 117.35 123.26 2kts s TYR 110 Ca 0.17 -1.13 0.07 0.00 -1.01 0.00 0.00 57.07 55.16 2kts s TYR 110 Cb -0.11 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2kts s TYR 110 CO 0.08 -0.19 -0.19 0.21 -1.11 0.00 0.00 175.55 174.34 2kts s LYS 111 N -3.86 1.34 -0.22 -0.62 2.47 0.36 -3.23 119.74 115.98 2kts s LYS 111 Ca 0.33 -0.84 -0.05 0.00 -1.56 0.00 0.00 55.97 53.85 2kts s LYS 111 Cb 0.06 -1.40 -0.17 0.00 -1.46 0.00 0.00 37.83 34.87 2kts s LYS 111 CO 0.15 0.36 2.64 -0.11 0.16 0.00 0.00 175.35 178.55 2kts n LEU 112 N 2.04 4.16 -4.50 5.43 7.94 -0.70 -1.81 117.00 129.57 2kts n LEU 112 Ca -0.17 -2.57 -0.43 0.00 -1.11 0.00 0.00 56.01 51.73 2kts n LEU 112 Cb 0.54 -1.05 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 2kts n LEU 112 CO 0.23 1.06 1.16 0.00 -1.11 0.00 0.00 177.39 178.73 2kts s ALA 113 N 1.86 3.07 -1.18 1.96 0.00 -1.26 -4.93 121.76 121.28 2kts s ALA 113 Ca 0.48 -2.43 -0.10 0.00 0.00 0.00 0.00 51.96 49.91 2kts s ALA 113 Cb 0.21 -4.23 0.23 0.00 0.00 0.00 0.00 23.12 19.32 2kts s ALA 113 CO -0.01 -3.22 1.47 -3.47 0.00 0.00 0.00 175.76 170.53 2kts n ASP 114 N 7.67 5.51 -1.78 0.00 -0.08 -1.26 -4.49 116.55 122.12 2kts n ASP 114 Ca 0.24 -3.11 -0.10 0.00 -1.51 0.00 0.00 54.79 50.31 2kts n ASP 114 Cb 0.50 -1.44 0.19 0.00 2.34 0.00 0.00 41.12 42.71 2kts n ASP 114 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2kts n LEU 115 N 3.61 5.35 -4.69 -2.67 4.77 -1.26 -4.97 117.00 117.14 2kts n LEU 115 Ca 0.32 -2.80 -0.44 0.00 -0.03 0.00 0.00 56.01 53.06 2kts n LEU 115 Cb 0.38 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2kts n LEU 115 CO 0.65 0.77 1.15 0.23 -1.33 0.00 0.00 177.39 178.86 2kts n MET 116 N -0.30 2.25 0.00 3.23 2.81 -1.26 -5.18 117.12 118.66 2kts n MET 116 Ca 0.36 0.80 0.16 0.00 -1.81 0.00 0.00 57.70 57.21 2kts n MET 116 Cb 1.23 -2.54 0.93 0.00 -0.71 0.00 0.00 33.22 32.13 2kts n MET 116 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75