#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 -0.32 -4.24 3.17 3.14 -1.26 -1.89 118.33 116.93 2kts n VAL 2 Ca 0.00 0.52 -0.17 0.00 -2.96 0.00 0.00 64.34 61.74 2kts n VAL 2 Cb 0.00 -0.89 -0.11 0.00 -1.06 0.00 0.00 33.84 31.78 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 -3.79 1.28 0.40 1.55 -4.23 -1.26 -4.73 115.64 104.86 2kts s THR 3 Ca 0.00 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.81 2kts s THR 3 Cb 0.00 -1.58 0.21 0.00 1.34 0.00 0.00 72.50 72.47 2kts s THR 3 CO 0.00 -0.49 1.98 1.55 -0.54 0.00 0.00 174.62 177.12 2kts h PRO 4 N 3.37 0.39 -0.94 3.99 0.13 -1.95 -1.56 132.00 135.42 2kts h PRO 4 Ca -0.39 -0.06 0.20 0.00 -0.87 0.00 0.00 66.00 64.89 2kts h PRO 4 Cb 1.20 -0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.18 2kts h PRO 4 CO 0.53 0.37 0.61 1.49 -0.23 0.00 0.00 178.00 180.78 2kts h GLU 5 N 0.38 0.49 -0.04 0.86 4.81 -1.99 0.59 114.58 119.67 2kts h GLU 5 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2kts h GLU 5 Cb 0.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2kts h GLU 5 CO -0.00 0.32 0.00 1.04 -0.73 0.00 0.00 179.01 179.64 2kts n GLN 6 N -4.58 0.65 0.01 1.92 6.02 -0.59 -3.99 117.38 116.83 2kts n GLN 6 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2kts n GLN 6 Cb 0.68 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.91 2kts n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2kts n LEU 7 N -0.46 0.00 0.00 1.08 4.77 -0.04 -4.74 117.00 117.62 2kts n LEU 7 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2kts n LEU 7 Cb 0.01 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kts n LEU 7 CO 0.00 -0.44 0.44 0.00 -1.33 0.00 0.00 177.39 176.07 2kts n GLN 8 N -2.64 0.00 0.00 3.23 6.02 -0.00 -0.48 117.38 123.50 2kts n GLN 8 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2kts n GLN 8 Cb 0.08 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.70 2kts n GLN 8 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kts n HIS 9 N -1.24 0.00 -3.86 1.08 8.25 -1.26 -3.86 115.22 114.32 2kts n HIS 9 Ca 0.00 -0.16 -0.27 0.00 -0.26 0.00 0.00 57.72 57.03 2kts n HIS 9 Cb 0.15 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.32 1.44 0.66 4.41 3.76 0.37 -5.08 115.29 120.52 2kts s HIS 10 Ca 0.00 -0.84 -0.15 0.00 -0.15 0.00 0.00 55.06 53.92 2kts s HIS 10 Cb 0.00 -1.20 -0.00 0.00 1.11 0.00 0.00 32.58 32.49 2kts s HIS 10 CO 0.00 -0.55 1.11 0.50 -0.85 0.00 0.00 174.74 174.95 2kts s ARG 11 N 1.72 2.83 0.04 1.40 3.52 -1.26 -4.35 118.95 122.85 2kts s ARG 11 Ca 0.02 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.99 2kts s ARG 11 Cb -0.14 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 2kts s ARG 11 CO -0.08 -1.22 -0.04 -0.06 -0.81 0.00 0.00 175.30 173.09 2kts s PHE 12 N -2.36 0.45 -0.03 5.12 0.40 -0.55 -4.39 117.98 116.61 2kts s PHE 12 Ca 0.66 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2kts s PHE 12 Cb -0.20 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.02 2kts s PHE 12 CO 0.41 -0.23 -0.11 0.14 0.70 0.00 0.00 175.22 176.13 2kts s VAL 13 N -2.37 0.98 -0.26 -0.44 -7.23 -1.08 -1.11 120.40 108.88 2kts s VAL 13 Ca -0.06 -0.46 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 2kts s VAL 13 Cb -0.03 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2kts s VAL 13 CO -0.04 0.30 1.93 -0.22 -0.31 0.00 0.00 175.10 176.77 2kts s LEU 14 N 0.20 3.55 -0.22 1.32 0.20 -1.25 -0.96 118.68 121.52 2kts s LEU 14 Ca -0.04 1.60 -0.17 0.00 0.69 0.00 0.00 54.13 56.20 2kts s LEU 14 Cb -0.10 -3.52 -0.13 0.00 -0.43 0.00 0.00 46.19 42.01 2kts s LEU 14 CO 0.01 -1.73 -0.09 -0.62 -0.29 0.00 0.00 176.35 173.63 2kts n GLU 15 N 8.44 0.55 -3.99 1.98 -0.58 0.24 -4.88 120.64 122.40 2kts n GLU 15 Ca 0.25 0.43 -0.09 0.00 -0.42 0.00 0.00 57.16 57.33 2kts n GLU 15 Cb 0.46 -1.62 -0.11 0.00 -0.57 0.00 0.00 31.44 29.59 2kts n GLU 15 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2kts s SER 16 N -6.81 0.26 0.89 1.62 1.04 -1.07 -4.41 113.70 105.22 2kts s SER 16 Ca -0.30 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.49 2kts s SER 16 Cb 0.08 0.10 0.18 0.00 0.10 0.00 0.00 66.02 66.49 2kts s SER 16 CO 0.49 -0.31 1.23 -0.69 0.98 0.00 0.00 173.24 174.93 2kts s VAL 17 N -1.56 2.03 0.56 5.02 1.01 -0.05 -1.58 120.40 125.83 2kts s VAL 17 Ca -0.15 -0.19 0.31 0.00 0.00 0.00 0.00 61.98 61.96 2kts s VAL 17 Cb -0.09 -2.84 0.46 0.00 0.00 0.00 0.00 36.38 33.91 2kts s VAL 17 CO -0.01 0.00 1.85 -0.55 0.00 0.00 0.00 175.10 176.39 2kts h ASN 18 N -1.32 0.00 0.00 3.32 -0.00 -1.85 -3.27 115.58 112.47 2kts h ASN 18 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.88 2kts h ASN 18 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 2kts h ASN 18 CO 0.38 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.42 2kts n GLY 19 N -1.67 -0.30 3.45 9.14 0.00 -1.26 -4.95 105.19 109.61 2kts n GLY 19 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.30 1.61 1.11 1.61 1.02 -1.23 -5.09 119.74 118.48 2kts s LYS 20 Ca 0.00 -1.84 -0.12 0.00 0.02 0.00 0.00 55.97 54.03 2kts s LYS 20 Cb 0.00 -1.20 0.26 0.00 -0.52 0.00 0.00 37.83 36.36 2kts s LYS 20 CO 0.00 0.02 1.05 -1.25 -0.92 0.00 0.00 175.35 174.24 2kts s PRO 21 N -3.73 -0.53 0.05 -1.68 0.04 -1.26 -0.87 135.00 127.01 2kts s PRO 21 Ca 0.31 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 2kts s PRO 21 Cb 0.05 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.96 2kts s PRO 21 CO 0.13 -3.48 0.01 0.54 0.04 0.00 0.00 177.00 174.23 2kts s VAL 22 N -2.53 0.18 -0.35 -0.36 0.11 -1.26 -4.80 120.40 111.39 2kts s VAL 22 Ca 0.68 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 2kts s VAL 22 Cb -0.24 -1.19 0.15 0.00 -1.53 0.00 0.00 36.38 33.57 2kts s VAL 22 CO 0.63 -0.83 0.32 0.42 -3.33 0.00 0.00 175.10 172.32 2kts s THR 23 N -3.29 -0.23 0.00 5.04 -4.23 -1.26 -4.99 115.64 106.69 2kts s THR 23 Ca 0.01 -1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2kts s THR 23 Cb 0.03 -0.82 -0.22 0.00 1.34 0.00 0.00 72.50 72.83 2kts s THR 23 CO -0.08 -0.66 3.14 -1.20 -0.54 0.00 0.00 174.62 175.28 2kts n SER 24 N 4.37 4.63 0.00 3.99 7.64 -1.26 -4.85 113.62 128.13 2kts n SER 24 Ca 0.09 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2kts n SER 24 Cb 0.43 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2kts n SER 24 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kts n ASP 25 N 2.48 0.00 0.00 6.43 9.92 -1.26 -0.92 116.55 133.20 2kts n ASP 25 Ca 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2kts n ASP 25 Cb 0.78 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.26 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2kts n LYS 26 N 0.00 0.00 -3.09 -1.24 4.81 -1.26 -4.92 118.16 112.45 2kts n LYS 26 Ca 0.00 -0.17 -0.26 0.00 -0.87 0.00 0.00 58.31 57.01 2kts n LYS 26 Cb 0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 35.03 34.57 2kts n LYS 26 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kts n ASN 27 N 0.00 3.91 -4.72 3.14 3.02 -0.10 -5.10 115.26 115.42 2kts n ASN 27 Ca 0.00 -3.55 -0.31 0.00 -0.03 0.00 0.00 54.58 50.69 2kts n ASN 27 Cb 0.35 -0.60 0.13 0.00 -0.61 0.00 0.00 39.78 39.05 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 -3.07 1.68 -0.94 3.52 0.04 -1.26 -4.70 135.00 130.27 2kts s PRO 28 Ca 0.46 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 2kts s PRO 28 Cb 0.25 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.89 2kts s PRO 28 CO -0.10 -2.12 2.10 -0.35 0.04 0.00 0.00 177.00 176.57 2kts n PRO 29 N -3.73 2.02 -1.35 0.56 -0.04 -1.26 -4.89 135.00 126.31 2kts n PRO 29 Ca 0.11 -1.69 -0.30 0.00 -0.04 0.00 0.00 63.50 61.58 2kts n PRO 29 Cb 0.52 -2.68 0.13 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.87 1.38 0.03 0.54 -1.05 -1.26 -3.86 118.70 118.35 2kts s GLU 30 Ca 0.47 0.65 0.01 0.00 -0.15 0.00 0.00 54.97 55.95 2kts s GLU 30 Cb 0.12 -1.84 -0.02 0.00 -0.44 0.00 0.00 34.13 31.95 2kts s GLU 30 CO 0.01 -2.11 -0.05 -1.50 0.95 0.00 0.00 175.26 172.56 2kts s ILE 31 N -3.05 0.30 0.28 1.83 2.07 -0.27 -2.63 121.20 119.73 2kts s ILE 31 Ca 0.63 -1.04 -0.02 0.00 -1.41 0.00 0.00 60.65 58.81 2kts s ILE 31 Cb -0.16 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 2kts s ILE 31 CO 0.56 -0.48 0.34 -0.94 -1.91 0.00 0.00 174.94 172.50 2kts s SER 32 N -1.61 0.61 0.16 4.50 1.04 -0.24 -1.49 113.70 116.67 2kts s SER 32 Ca -0.12 -1.39 0.01 0.00 0.48 0.00 0.00 55.95 54.93 2kts s SER 32 Cb -0.09 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2kts s SER 32 CO -0.01 -1.09 0.01 -0.36 0.98 0.00 0.00 173.24 172.78 2kts s PHE 33 N -3.66 1.10 -3.73 5.02 0.08 -1.26 -2.04 117.98 113.49 2kts s PHE 33 Ca 0.33 -1.07 0.00 0.00 0.12 0.00 0.00 56.93 56.31 2kts s PHE 33 Cb 0.02 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2kts s PHE 33 CO 0.17 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.40 2kts n GLY 34 N -0.19 -1.25 5.18 4.36 0.00 -1.24 -4.38 105.19 107.67 2kts n GLY 34 Ca -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.00 -2.89 1.61 1.02 -1.26 -2.36 120.64 116.76 2kts n GLU 35 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2kts n GLU 35 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 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 0.00 0.69 -2.11 3.49 5.02 -1.26 -4.91 118.16 119.08 2kts n LYS 36 Ca 0.00 -2.19 -0.17 0.00 -2.02 0.00 0.00 58.31 53.93 2kts n LYS 36 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.89 -1.76 -1.48 1.97 1.56 -1.22 -4.84 117.12 113.24 2kts n MET 37 Ca 0.14 0.86 -0.30 0.00 -0.27 0.00 0.00 57.70 58.13 2kts n MET 37 Cb 0.59 -5.38 0.10 0.00 2.15 0.00 0.00 33.22 30.67 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 -4.49 1.89 -0.02 2.12 -1.94 -0.99 -1.92 119.30 113.94 2kts s MET 38 Ca 0.00 0.68 0.01 0.00 -1.71 0.00 0.00 55.69 54.67 2kts s MET 38 Cb 0.00 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 34.96 2kts s MET 38 CO 0.00 -1.77 -0.04 0.42 -0.01 0.00 0.00 175.02 173.63 2kts s ILE 39 N -3.11 0.39 -0.01 2.53 1.01 -0.62 -3.70 121.20 117.70 2kts s ILE 39 Ca 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 2kts s ILE 39 Cb -0.15 -0.39 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 2kts s ILE 39 CO 0.55 0.16 0.06 -0.55 0.00 0.00 0.00 174.94 175.15 2kts s SER 40 N 0.47 0.03 -0.03 3.58 0.15 -0.87 -1.75 113.70 115.29 2kts s SER 40 Ca -0.05 -0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.31 2kts s SER 40 Cb -0.09 0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 2kts s SER 40 CO -0.00 -0.17 0.83 0.61 1.20 0.00 0.00 173.24 175.71 2kts n GLY 41 N 2.31 0.32 2.46 9.45 0.00 -1.16 -1.08 105.19 117.49 2kts n GLY 41 Ca -0.18 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.84 0.89 0.03 1.61 1.04 -1.08 -2.08 113.70 111.27 2kts s SER 42 Ca 0.20 -2.79 -0.31 0.00 0.48 0.00 0.00 55.95 53.53 2kts s SER 42 Cb -0.00 0.02 -0.17 0.00 0.10 0.00 0.00 66.02 65.96 2kts s SER 42 CO -0.01 -0.15 1.28 0.24 0.98 0.00 0.00 173.24 175.58 2kts h MET 43 N 5.56 -1.04 0.00 4.02 2.86 -1.87 -3.37 114.93 121.07 2kts h MET 43 Ca 0.22 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2kts h MET 43 Cb 0.95 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kts h MET 43 CO 0.30 -0.69 0.00 0.00 1.06 0.00 0.00 176.91 177.58 2kts n ASN 45 N -2.90 2.85 -1.36 0.00 2.85 -1.26 -4.95 115.26 110.49 2kts n ASN 45 Ca 0.00 -2.36 0.16 0.00 -0.11 0.00 0.00 54.58 52.27 2kts n ASN 45 Cb 0.00 -0.57 -0.08 0.00 1.24 0.00 0.00 39.78 40.37 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kts n ARG 46 N 0.25 -2.96 -3.58 1.20 5.12 -1.26 -1.56 116.66 113.87 2kts n ARG 46 Ca 0.11 2.37 -0.11 0.00 -1.93 0.00 0.00 57.85 58.30 2kts n ARG 46 Cb 0.62 -3.54 -0.03 0.00 -1.16 0.00 0.00 32.46 28.35 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 -4.12 -0.36 -0.25 -1.55 -0.12 -0.88 -3.85 117.98 106.84 2kts s PHE 47 Ca 0.00 0.07 -0.26 0.00 -0.05 0.00 0.00 56.93 56.69 2kts s PHE 47 Cb 0.00 0.51 0.12 0.00 -0.63 0.00 0.00 43.02 43.02 2kts s PHE 47 CO 0.00 -0.90 1.01 -1.54 -0.05 0.00 0.00 175.22 173.74 2kts s SER 48 N -2.81 -0.44 0.06 1.98 1.04 -1.18 -3.01 113.70 109.35 2kts s SER 48 Ca 0.04 0.78 -0.28 0.00 0.48 0.00 0.00 55.95 56.98 2kts s SER 48 Cb -0.01 0.77 0.09 0.00 0.10 0.00 0.00 66.02 66.97 2kts s SER 48 CO -0.08 -0.20 1.12 -0.83 0.98 0.00 0.00 173.24 174.23 2kts s GLY 49 N -0.07 -0.33 -0.65 7.32 0.00 -0.71 -1.41 107.32 111.47 2kts s GLY 49 Ca 0.02 0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.92 2kts s GLY 49 CO -0.04 0.07 1.12 -0.54 0.00 0.00 0.00 173.10 173.72 2kts s GLU 50 N -2.85 3.27 1.05 2.90 2.02 -1.18 -1.59 118.70 122.32 2kts s GLU 50 Ca 0.13 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.74 2kts s GLU 50 Cb 0.02 -4.13 0.22 0.00 0.10 0.00 0.00 34.13 30.34 2kts s GLU 50 CO -0.01 -1.84 1.07 0.20 0.02 0.00 0.00 175.26 174.70 2kts s GLY 51 N 3.37 1.58 -0.17 -1.39 0.00 -0.81 -1.69 107.32 108.22 2kts s GLY 51 Ca 0.33 -0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 2kts s GLY 51 CO 0.17 0.57 0.47 1.25 0.00 0.00 0.00 173.10 175.55 2kts s LYS 52 N -4.67 0.55 -0.04 2.90 2.20 -1.26 -4.75 119.74 114.68 2kts s LYS 52 Ca 0.67 0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 56.88 2kts s LYS 52 Cb -0.22 0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2kts s LYS 52 CO 0.61 -0.07 0.10 -1.17 -0.36 0.00 0.00 175.35 174.46 2kts s LEU 53 N 0.19 1.10 0.00 5.43 2.96 -1.26 -3.90 118.68 123.21 2kts s LEU 53 Ca -0.00 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2kts s LEU 53 Cb -0.03 0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.90 2kts s LEU 53 CO 0.01 -0.11 0.00 -0.24 -1.32 0.00 0.00 176.35 174.69 2kts n SER 54 N 3.83 0.00 0.00 3.68 2.88 -1.26 -4.84 113.62 117.90 2kts n SER 54 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 2kts n SER 54 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2kts n SER 54 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2kts n ASN 55 N -1.36 1.33 0.00 -3.46 5.15 -1.26 -4.94 115.26 110.72 2kts n ASN 55 Ca 0.00 -1.55 0.00 0.00 -0.60 0.00 0.00 54.58 52.43 2kts n ASN 55 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kts n GLY 56 N -0.27 0.74 3.13 8.20 0.00 -0.79 -4.91 105.19 111.28 2kts n GLY 56 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.66 0.95 0.18 1.61 2.12 -1.26 -1.68 118.70 119.96 2kts s GLU 57 Ca 0.00 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.71 2kts s GLU 57 Cb 0.00 -0.95 -0.04 0.00 0.26 0.00 0.00 34.13 33.40 2kts s GLU 57 CO 0.00 0.24 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.65 2kts s LEU 58 N -0.94 2.53 0.28 2.70 2.96 0.45 -4.21 118.68 122.45 2kts s LEU 58 Ca 0.02 -0.99 0.02 0.00 -0.22 0.00 0.00 54.13 52.96 2kts s LEU 58 Cb -0.07 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 2kts s LEU 58 CO 0.01 -0.20 0.25 0.42 -1.32 0.00 0.00 176.35 175.51 2kts s THR 59 N -2.91 0.00 -0.30 3.68 -4.23 -1.25 -0.58 115.64 110.04 2kts s THR 59 Ca 0.19 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2kts s THR 59 Cb -0.01 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.43 2kts s THR 59 CO 0.05 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.24 2kts s ALA 60 N -3.71 1.26 0.00 3.99 0.00 0.25 -4.05 121.76 119.50 2kts s ALA 60 Ca 0.38 -1.50 -0.34 0.00 0.00 0.00 0.00 51.96 50.50 2kts s ALA 60 Cb 0.04 -1.55 -0.12 0.00 0.00 0.00 0.00 23.12 21.48 2kts s ALA 60 CO 0.20 -1.66 1.80 1.17 0.00 0.00 0.00 175.76 177.26 2kts n LYS 61 N 4.96 2.25 0.00 0.00 0.00 -0.68 -3.68 118.16 121.01 2kts n LYS 61 Ca -0.03 0.82 0.00 0.00 0.00 0.00 0.00 58.31 59.10 2kts n LYS 61 Cb 0.42 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.79 2kts n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kts n GLY 62 N 4.13 2.47 3.02 3.14 0.00 -1.26 -3.10 105.19 113.58 2kts n GLY 62 Ca 0.21 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.16 -4.49 0.99 7.94 -1.24 -4.95 117.00 110.09 2kts n LEU 63 Ca 0.00 0.82 -0.43 0.00 -1.11 0.00 0.00 56.01 55.29 2kts n LEU 63 Cb 0.00 -2.20 -0.05 0.00 0.53 0.00 0.00 43.42 41.70 2kts n LEU 63 CO 0.00 -2.15 0.66 0.00 -1.11 0.00 0.00 177.39 174.79 2kts s ALA 64 N -1.16 3.20 0.59 1.96 0.00 -0.50 -4.84 121.76 121.02 2kts s ALA 64 Ca -0.01 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.54 2kts s ALA 64 Cb 0.00 -3.67 0.08 0.00 0.00 0.00 0.00 23.12 19.53 2kts s ALA 64 CO 0.28 -2.38 0.81 -1.64 0.00 0.00 0.00 175.76 172.83 2kts s MET 65 N 3.67 2.24 0.00 0.00 -1.94 -1.26 -3.09 119.30 118.92 2kts s MET 65 Ca 0.25 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 2kts s MET 65 Cb -0.15 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.12 2kts s MET 65 CO 0.16 -0.91 0.00 0.25 -0.01 0.00 0.00 175.02 174.51 2kts n THR 66 N -2.34 0.00 -2.38 2.05 -2.24 -0.60 -4.98 114.28 103.79 2kts n THR 66 Ca 0.14 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.95 2kts n THR 66 Cb 0.61 -0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.15 0.45 -1.75 -0.78 1.74 -1.26 -4.93 116.66 109.97 2kts n ARG 67 Ca 0.00 -2.36 -0.30 0.00 -0.77 0.00 0.00 57.85 54.42 2kts n ARG 67 Cb 0.00 -0.42 0.18 0.00 -1.02 0.00 0.00 32.46 31.21 2kts n ARG 67 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2kts s MET 68 N -0.87 0.45 0.70 5.56 -1.94 -1.26 -5.11 119.30 116.83 2kts s MET 68 Ca 0.34 -0.26 -0.06 0.00 -1.71 0.00 0.00 55.69 54.01 2kts s MET 68 Cb 0.38 -1.81 0.06 0.00 2.01 0.00 0.00 34.83 35.47 2kts s MET 68 CO -0.14 -2.56 1.00 -1.64 -0.01 0.00 0.00 175.02 171.67 2kts s MET 69 N -5.74 2.20 0.44 2.03 -1.94 -1.26 -4.98 119.30 110.06 2kts s MET 69 Ca 0.72 -0.31 0.04 0.00 -1.71 0.00 0.00 55.69 54.43 2kts s MET 69 Cb -0.06 -2.19 0.04 0.00 2.01 0.00 0.00 34.83 34.63 2kts s MET 69 CO 0.53 -1.22 0.33 0.00 -0.01 0.00 0.00 175.02 174.65 2kts n ALA 71 N -2.07 3.80 -3.46 0.00 0.00 -1.26 -5.03 120.51 112.49 2kts n ALA 71 Ca -0.14 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.70 2kts n ALA 71 Cb 0.51 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.92 -0.57 0.16 0.00 2.47 -1.26 -5.08 114.94 107.75 2kts s ASN 72 Ca 0.03 0.95 0.01 0.00 0.42 0.00 0.00 52.86 54.27 2kts s ASN 72 Cb 0.12 0.95 -0.01 0.00 -1.45 0.00 0.00 41.25 40.87 2kts s ASN 72 CO 0.69 -0.31 1.37 1.55 -3.72 0.00 0.00 177.10 176.69 2kts h PRO 73 N 4.63 0.25 -0.44 0.43 0.13 -1.98 -2.87 132.00 132.16 2kts h PRO 73 Ca -0.28 -0.27 0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2kts h PRO 73 Cb 1.16 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2kts h PRO 73 CO 0.22 0.97 0.30 0.37 -0.23 0.00 0.00 178.00 179.63 2kts h GLN 74 N 0.15 0.35 -0.25 0.86 4.15 -1.99 0.14 115.11 118.52 2kts h GLN 74 Ca -0.05 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2kts h GLN 74 Cb 1.49 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.10 2kts h GLN 74 CO 0.14 0.23 -0.28 -0.07 -1.93 0.00 0.00 178.83 176.92 2kts h LEU 75 N 0.36 0.67 0.00 -2.39 3.38 -1.80 -1.65 115.31 113.88 2kts h LEU 75 Ca 0.19 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kts h LEU 75 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kts h LEU 75 CO -0.04 1.02 0.00 -3.20 0.09 0.00 0.00 178.44 176.31 2kts n ASN 76 N -4.32 0.00 -0.12 -0.43 2.85 -0.09 -1.04 115.26 112.12 2kts n ASN 76 Ca -0.05 0.32 -0.24 0.00 -0.11 0.00 0.00 54.58 54.50 2kts n ASN 76 Cb 0.46 -0.40 -0.09 0.00 1.24 0.00 0.00 39.78 40.99 2kts n ASN 76 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kts n GLU 77 N -1.40 0.53 0.25 1.20 2.13 -0.46 -4.37 120.64 118.52 2kts n GLU 77 Ca 0.04 0.21 0.17 0.00 0.66 0.00 0.00 57.16 58.24 2kts n GLU 77 Cb 0.12 -1.38 0.88 0.00 0.27 0.00 0.00 31.44 31.33 2kts n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kts h LEU 78 N -0.71 0.00 -0.55 4.31 4.07 -1.10 -0.63 115.31 120.70 2kts h LEU 78 Ca -0.60 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.45 2kts h LEU 78 Cb 1.59 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 43.22 2kts h LEU 78 CO -0.32 0.00 -0.37 -0.78 -1.08 0.00 0.00 178.44 175.89 2kts h ASP 79 N 0.00 -1.26 0.60 -0.43 1.82 -1.28 -0.65 116.42 115.22 2kts h ASP 79 Ca 0.05 0.23 -0.25 0.00 -0.39 0.00 0.00 57.03 56.66 2kts h ASP 79 Cb 0.29 0.60 -0.00 0.00 0.68 0.00 0.00 39.33 40.90 2kts h ASP 79 CO -0.00 -0.32 -1.12 0.78 -1.61 0.00 0.00 179.24 176.97 2kts h ASN 80 N -0.20 0.39 -0.05 2.28 2.35 -1.34 -2.87 115.58 116.13 2kts h ASN 80 Ca 0.20 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.60 2kts h ASN 80 Cb 0.56 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 2kts h ASN 80 CO -0.66 1.26 -0.51 0.74 -1.65 0.00 0.00 177.43 176.61 2kts h THR 81 N 0.10 0.03 -0.46 2.81 2.02 -1.28 -1.91 112.91 114.23 2kts h THR 81 Ca -0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2kts h THR 81 Cb 1.83 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2kts h THR 81 CO 0.18 0.00 0.10 -0.29 0.37 0.00 0.00 175.52 175.88 2kts h ILE 82 N -0.62 1.21 0.00 3.11 6.09 -1.11 -0.47 117.51 125.72 2kts h ILE 82 Ca 0.03 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 2kts h ILE 82 Cb 0.70 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.74 2kts h ILE 82 CO -0.38 0.27 0.00 -0.24 -3.07 0.00 0.00 178.15 174.73 2kts n SER 83 N -4.29 0.35 -0.01 2.19 2.88 -0.99 -2.33 113.62 111.42 2kts n SER 83 Ca 0.03 0.61 0.02 0.00 -1.33 0.00 0.00 58.87 58.19 2kts n SER 83 Cb 0.22 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 2kts n SER 83 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kts n GLU 84 N -1.91 0.90 0.06 -1.46 2.13 -0.71 -4.48 120.64 115.19 2kts n GLU 84 Ca 0.02 -0.04 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 2kts n GLU 84 Cb 0.14 -1.14 -0.07 0.00 0.27 0.00 0.00 31.44 30.65 2kts n GLU 84 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 2kts h MET 85 N 0.00 -0.24 0.00 5.31 2.86 -0.88 -3.32 114.93 118.66 2kts h MET 85 Ca -0.04 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kts h MET 85 Cb 0.52 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2kts h MET 85 CO 0.00 0.16 0.00 -0.07 1.06 0.00 0.00 176.91 178.06 2kts h LEU 86 N -0.90 0.00 -0.03 1.22 -0.00 -1.73 -1.85 115.31 112.02 2kts h LEU 86 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2kts h LEU 86 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2kts h LEU 86 CO 0.04 0.00 -0.08 0.50 -0.00 0.00 0.00 178.44 178.90 2kts h LYS 87 N 0.00 0.10 0.37 1.13 3.64 -1.79 0.74 116.57 120.77 2kts h LYS 87 Ca 0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2kts h LYS 87 Cb 0.61 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2kts h LYS 87 CO 0.00 0.68 -0.18 0.93 -2.27 0.00 0.00 179.45 178.62 2kts h GLU 88 N -0.46 -0.48 0.00 1.90 4.39 -1.60 -3.46 114.58 114.88 2kts h GLU 88 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kts h GLU 88 Cb 0.69 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2kts h GLU 88 CO 0.02 -0.32 0.00 0.41 -1.16 0.00 0.00 179.01 177.96 2kts n GLY 89 N 0.15 2.88 3.84 -3.84 0.00 -0.72 -4.99 105.19 102.52 2kts n GLY 89 Ca -0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 3.63 0.33 4.61 0.00 0.25 -4.79 121.76 125.80 2kts s ALA 90 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.52 2kts s ALA 90 Cb 0.00 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 2kts s ALA 90 CO 0.00 0.47 1.08 -0.65 0.00 0.00 0.00 175.76 176.66 2kts s GLN 91 N -1.60 4.44 -0.21 0.00 -1.52 0.25 -0.41 119.66 120.61 2kts s GLN 91 Ca 0.32 1.70 -0.04 0.00 -1.95 0.00 0.00 55.36 55.39 2kts s GLN 91 Cb -0.16 -2.93 0.07 0.00 -0.22 0.00 0.00 33.01 29.76 2kts s GLN 91 CO 0.18 0.06 0.08 0.08 -0.25 0.00 0.00 175.29 175.44 2kts s VAL 92 N -1.35 0.21 -0.35 1.09 1.01 -0.68 -1.78 120.40 118.54 2kts s VAL 92 Ca 0.50 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2kts s VAL 92 Cb -0.28 -0.88 0.11 0.00 0.00 0.00 0.00 36.38 35.32 2kts s VAL 92 CO 0.36 -0.35 0.12 -0.62 0.00 0.00 0.00 175.10 174.60 2kts s ASP 93 N 1.99 4.21 -0.50 3.32 -1.08 0.42 -4.62 116.67 120.41 2kts s ASP 93 Ca 0.03 -2.05 -0.17 0.00 -0.52 0.00 0.00 52.55 49.83 2kts s ASP 93 Cb -0.16 -1.17 0.08 0.00 -1.46 0.00 0.00 42.92 40.20 2kts s ASP 93 CO -0.14 -0.37 0.49 -0.22 0.52 0.00 0.00 175.17 175.45 2kts s LEU 94 N 1.06 5.53 1.21 -1.34 2.96 -1.26 -0.18 118.68 126.65 2kts s LEU 94 Ca 0.12 -1.30 -0.17 0.00 -0.22 0.00 0.00 54.13 52.56 2kts s LEU 94 Cb -0.20 -2.26 0.29 0.00 0.50 0.00 0.00 46.19 44.52 2kts s LEU 94 CO -0.14 -0.77 1.04 -0.89 -1.32 0.00 0.00 176.35 174.27 2kts s THR 95 N 1.95 1.70 0.47 3.68 2.01 0.12 -4.90 115.64 120.67 2kts s THR 95 Ca 0.07 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.35 2kts s THR 95 Cb -0.24 -2.28 0.47 0.00 0.01 0.00 0.00 72.50 70.46 2kts s THR 95 CO 0.07 0.00 1.79 0.00 -0.69 0.00 0.00 174.62 175.79 2kts h ALA 96 N -2.66 2.67 0.00 7.40 0.00 -2.03 -3.15 119.26 121.48 2kts h ALA 96 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kts h ALA 96 Cb 1.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kts h ALA 96 CO 0.43 -1.05 -0.17 0.27 0.00 0.00 0.00 179.25 178.73 2kts n ASN 97 N -4.42 0.00 -3.74 0.00 0.23 -1.26 -5.08 115.26 101.00 2kts n ASN 97 Ca 0.25 -1.34 -0.21 0.00 -0.53 0.00 0.00 54.58 52.75 2kts n ASN 97 Cb 1.06 -0.07 -0.18 0.00 -2.08 0.00 0.00 39.78 38.52 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 0.34 0.34 -3.83 0.74 -1.19 -1.39 119.66 114.66 2kts s GLN 98 Ca 0.00 0.20 -0.28 0.00 0.05 0.00 0.00 55.36 55.33 2kts s GLN 98 Cb 0.00 -0.76 -0.10 0.00 1.10 0.00 0.00 33.01 33.25 2kts s GLN 98 CO 0.00 -0.29 1.23 -1.17 -0.55 0.00 0.00 175.29 174.51 2kts s LEU 99 N 1.94 4.40 -0.04 3.68 0.20 0.56 -0.71 118.68 128.72 2kts s LEU 99 Ca 0.03 2.53 0.01 0.00 0.69 0.00 0.00 54.13 57.40 2kts s LEU 99 Cb -0.12 -3.72 0.02 0.00 -0.43 0.00 0.00 46.19 41.93 2kts s LEU 99 CO -0.04 -0.49 -0.06 -0.89 -0.29 0.00 0.00 176.35 174.59 2kts s THR 100 N -1.20 0.62 0.24 3.68 2.01 0.74 -1.07 115.64 120.66 2kts s THR 100 Ca 0.50 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.39 2kts s THR 100 Cb -0.36 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2kts s THR 100 CO 0.47 0.24 0.09 -0.76 -0.69 0.00 0.00 174.62 173.97 2kts s LEU 101 N 0.78 3.53 0.10 4.42 1.02 0.20 -0.43 118.68 128.30 2kts s LEU 101 Ca -0.11 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.50 2kts s LEU 101 Cb -0.14 -2.09 0.03 0.00 0.02 0.00 0.00 46.19 44.01 2kts s LEU 101 CO 0.01 0.01 0.36 0.00 0.02 0.00 0.00 176.35 176.74 2kts s ALA 102 N -2.10 -0.81 0.08 4.21 0.00 -0.73 -2.98 121.76 119.43 2kts s ALA 102 Ca 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 2kts s ALA 102 Cb -0.08 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.61 2kts s ALA 102 CO 0.22 -0.57 0.15 2.41 0.00 0.00 0.00 175.76 177.98 2kts n THR 103 N 0.01 0.00 -0.07 0.00 -1.04 -0.97 -0.59 114.28 111.63 2kts n THR 103 Ca -0.17 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2kts n THR 103 Cb 0.62 0.22 0.29 0.00 -1.82 0.00 0.00 70.33 69.64 2kts n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts h ALA 104 N 1.89 1.43 -2.95 2.41 0.00 -1.92 -3.35 119.26 116.76 2kts h ALA 104 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kts h ALA 104 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kts h ALA 104 CO 0.09 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.40 2kts n LYS 105 N -4.35 0.00 -3.20 0.00 4.76 -1.26 -5.02 118.16 109.08 2kts n LYS 105 Ca 0.04 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.40 2kts n LYS 105 Cb 0.16 -1.01 -0.01 0.00 -1.84 0.00 0.00 35.03 32.33 2kts n LYS 105 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2kts n GLN 106 N -0.53 0.58 -3.92 1.97 6.02 -1.26 -5.15 117.38 115.09 2kts n GLN 106 Ca 0.00 -1.89 -0.15 0.00 -0.01 0.00 0.00 57.00 54.95 2kts n GLN 106 Cb 0.00 1.93 -0.15 0.00 1.02 0.00 0.00 30.24 33.04 2kts n GLN 106 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2kts s THR 107 N -2.62 0.12 0.20 5.09 -1.32 -1.26 -2.28 115.64 113.56 2kts s THR 107 Ca 0.18 0.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.78 2kts s THR 107 Cb -0.01 -0.17 -0.05 0.00 -1.51 0.00 0.00 72.50 70.76 2kts s THR 107 CO 0.13 0.09 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.71 2kts s LEU 108 N 0.55 2.52 -0.04 9.08 2.01 -1.16 -2.30 118.68 129.34 2kts s LEU 108 Ca -0.05 -0.97 0.06 0.00 0.01 0.00 0.00 54.13 53.18 2kts s LEU 108 Cb -0.08 -0.74 -0.01 0.00 0.01 0.00 0.00 46.19 45.37 2kts s LEU 108 CO -0.01 -0.12 -0.22 -0.89 1.01 0.00 0.00 176.35 176.12 2kts s THR 109 N -2.65 1.78 0.02 5.49 2.01 -0.61 -0.62 115.64 121.05 2kts s THR 109 Ca 0.21 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2kts s THR 109 Cb -0.03 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 2kts s THR 109 CO 0.07 0.50 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.13 2kts s TYR 110 N -0.29 0.58 0.26 4.92 1.51 -0.23 -0.59 117.35 123.50 2kts s TYR 110 Ca 0.02 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.68 2kts s TYR 110 Cb -0.11 -0.36 -0.07 0.00 -0.11 0.00 0.00 41.96 41.31 2kts s TYR 110 CO 0.01 -0.05 0.58 0.21 -1.11 0.00 0.00 175.55 175.20 2kts s LYS 111 N -0.88 3.80 0.00 -0.62 2.47 -0.13 -0.32 119.74 124.06 2kts s LYS 111 Ca -0.04 0.30 -0.03 0.00 -1.56 0.00 0.00 55.97 54.64 2kts s LYS 111 Cb -0.06 -2.61 -0.13 0.00 -1.46 0.00 0.00 37.83 33.57 2kts s LYS 111 CO 0.00 0.27 2.32 -0.11 0.16 0.00 0.00 175.35 177.99 2kts n LEU 112 N -0.31 3.85 -4.52 5.43 7.94 -0.49 -2.64 117.00 126.27 2kts n LEU 112 Ca 0.01 -2.21 -0.42 0.00 -1.11 0.00 0.00 56.01 52.27 2kts n LEU 112 Cb 0.53 -0.96 -0.03 0.00 0.53 0.00 0.00 43.42 43.48 2kts n LEU 112 CO 0.45 0.98 0.93 0.00 -1.11 0.00 0.00 177.39 178.64 2kts s ALA 113 N 1.19 3.00 -0.59 1.96 0.00 -1.26 -4.90 121.76 121.15 2kts s ALA 113 Ca 0.32 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.93 2kts s ALA 113 Cb 0.15 -3.98 0.30 0.00 0.00 0.00 0.00 23.12 19.60 2kts s ALA 113 CO 0.00 -2.82 0.86 -3.47 0.00 0.00 0.00 175.76 170.33 2kts n ASP 114 N 8.26 4.04 0.00 0.00 2.03 -1.26 -4.47 116.55 125.15 2kts n ASP 114 Ca 0.01 -3.56 0.00 0.00 0.52 0.00 0.00 54.79 51.76 2kts n ASP 114 Cb 0.48 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 2kts n ASP 114 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kts n LEU 115 N 0.22 0.88 -3.06 -2.67 4.77 -1.26 -1.46 117.00 114.41 2kts n LEU 115 Ca 0.30 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 2kts n LEU 115 Cb 0.41 -1.74 0.01 0.00 -2.33 0.00 0.00 43.42 39.77 2kts n LEU 115 CO 0.36 -0.64 0.07 0.80 -1.33 0.00 0.00 177.39 176.65 2kts n MET 116 N -0.49 -1.97 0.00 3.23 0.00 -1.26 -5.28 117.12 111.34 2kts n MET 116 Ca 0.00 1.76 0.00 0.00 -0.00 0.00 0.00 57.70 59.46 2kts n MET 116 Cb 0.20 -4.98 0.00 0.00 0.00 0.00 0.00 33.22 28.44 2kts n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26