#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 2.10 -4.25 1.12 3.14 -1.26 -5.06 118.33 114.12 2kts n VAL 2 Ca 0.00 -0.46 -0.14 0.00 -2.96 0.00 0.00 64.34 60.79 2kts n VAL 2 Cb 0.00 -0.72 -0.10 0.00 -1.06 0.00 0.00 33.84 31.96 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 -1.80 0.65 0.36 1.55 -4.23 -1.26 -4.91 115.64 106.00 2kts s THR 3 Ca 0.67 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 2kts s THR 3 Cb -0.40 -2.18 0.28 0.00 1.34 0.00 0.00 72.50 71.55 2kts s THR 3 CO 0.56 -0.42 1.97 1.55 -0.54 0.00 0.00 174.62 177.74 2kts h PRO 4 N 2.66 0.77 -0.53 3.99 0.13 -1.98 -3.11 132.00 133.93 2kts h PRO 4 Ca -0.37 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2kts h PRO 4 Cb 1.21 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2kts h PRO 4 CO 0.62 0.51 0.31 1.49 -0.23 0.00 0.00 178.00 180.70 2kts h GLU 5 N 0.79 0.73 -0.68 0.86 4.81 -1.98 -1.99 114.58 117.13 2kts h GLU 5 Ca 0.29 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2kts h GLU 5 Cb 0.15 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kts h GLU 5 CO -0.09 0.55 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 2kts n GLN 6 N -4.65 0.76 0.02 1.92 10.64 -1.18 -4.04 117.38 120.85 2kts n GLN 6 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 2kts n GLN 6 Cb 0.07 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 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 0.06 0.00 -0.42 2.61 4.77 -0.85 -4.79 117.00 118.38 2kts n LEU 7 Ca 0.00 0.06 0.40 0.00 -0.03 0.00 0.00 56.01 56.44 2kts n LEU 7 Cb 0.17 0.04 0.72 0.00 -2.33 0.00 0.00 43.42 42.02 2kts n LEU 7 CO 0.00 -0.47 1.37 1.56 -1.33 0.00 0.00 177.39 178.52 2kts h GLN 8 N 0.00 0.00 -0.13 3.23 4.20 -1.52 -1.34 115.11 119.55 2kts h GLN 8 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2kts h GLN 8 Cb 0.14 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 27.66 2kts h GLN 8 CO 0.00 0.00 -0.85 0.72 -0.67 0.00 0.00 178.83 178.03 2kts n HIS 9 N -3.87 0.43 -3.88 2.96 8.25 -1.26 -3.49 115.22 114.36 2kts n HIS 9 Ca 0.31 -1.21 -0.28 0.00 -0.26 0.00 0.00 57.72 56.27 2kts n HIS 9 Cb 1.54 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 32.28 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 -1.92 1.71 0.55 4.41 3.76 -0.51 -5.10 115.29 118.20 2kts s HIS 10 Ca 0.36 -1.16 -0.19 0.00 -0.15 0.00 0.00 55.06 53.92 2kts s HIS 10 Cb 0.38 -1.31 -0.06 0.00 1.11 0.00 0.00 32.58 32.70 2kts s HIS 10 CO -0.10 -0.64 1.13 0.50 -0.85 0.00 0.00 174.74 174.78 2kts s ARG 11 N 1.63 3.34 0.06 1.40 3.52 -1.26 -4.41 118.95 123.22 2kts s ARG 11 Ca -0.01 1.61 -0.00 0.00 -0.13 0.00 0.00 55.73 57.21 2kts s ARG 11 Cb -0.16 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 2kts s ARG 11 CO -0.07 -0.86 -0.04 -0.06 -0.81 0.00 0.00 175.30 173.45 2kts s PHE 12 N -1.78 0.57 -0.07 5.12 0.08 0.24 -4.14 117.98 118.01 2kts s PHE 12 Ca 0.73 -0.93 0.03 0.00 0.12 0.00 0.00 56.93 56.88 2kts s PHE 12 Cb -0.24 -0.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 2kts s PHE 12 CO 0.27 -0.29 -0.15 0.14 -0.10 0.00 0.00 175.22 175.09 2kts s VAL 13 N -3.36 1.35 -0.49 -0.44 -7.23 -1.00 -0.21 120.40 109.02 2kts s VAL 13 Ca 0.04 -0.62 -0.27 0.00 -1.81 0.00 0.00 61.98 59.32 2kts s VAL 13 Cb 0.04 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 2kts s VAL 13 CO -0.07 0.40 2.05 -0.22 -0.31 0.00 0.00 175.10 176.95 2kts s LEU 14 N 0.45 3.38 -0.17 1.32 2.96 -0.10 -1.88 118.68 124.64 2kts s LEU 14 Ca -0.13 0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 54.47 2kts s LEU 14 Cb -0.15 -2.78 -0.16 0.00 0.50 0.00 0.00 46.19 43.60 2kts s LEU 14 CO 0.04 -2.39 0.27 -0.08 -1.32 0.00 0.00 176.35 172.87 2kts h GLU 15 N 16.07 0.00 -3.56 1.98 4.22 -1.68 -3.43 114.58 128.18 2kts h GLU 15 Ca -0.28 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 58.79 2kts h GLU 15 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 2kts h GLU 15 CO 1.15 0.71 -0.75 -1.54 -2.18 0.00 0.00 179.01 176.40 2kts s SER 16 N -6.34 0.94 0.90 1.04 1.04 -0.60 -3.76 113.70 106.92 2kts s SER 16 Ca -0.21 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.10 2kts s SER 16 Cb 0.02 -0.24 0.13 0.00 0.10 0.00 0.00 66.02 66.04 2kts s SER 16 CO 0.49 -0.18 1.15 -0.69 0.98 0.00 0.00 173.24 174.99 2kts s VAL 17 N 1.66 1.99 0.66 5.02 1.01 -0.51 -1.08 120.40 129.15 2kts s VAL 17 Ca -0.01 0.00 0.40 0.00 0.00 0.00 0.00 61.98 62.37 2kts s VAL 17 Cb -0.13 -2.79 0.40 0.00 0.00 0.00 0.00 36.38 33.86 2kts s VAL 17 CO -0.03 0.00 2.24 -0.55 0.00 0.00 0.00 175.10 176.76 2kts h ASN 18 N -1.46 0.00 0.00 3.32 -1.07 -1.84 -3.35 115.58 111.18 2kts h ASN 18 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 2kts h ASN 18 Cb 1.33 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 2kts h ASN 18 CO 0.61 0.00 -0.36 0.61 0.07 0.00 0.00 177.43 178.36 2kts n GLY 19 N -1.14 -0.33 3.22 9.14 0.00 -1.26 -5.04 105.19 109.77 2kts n GLY 19 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.87 1.06 0.66 1.61 -0.14 -1.26 -5.15 119.74 114.65 2kts s LYS 20 Ca -0.10 -1.51 -0.16 0.00 -1.36 0.00 0.00 55.97 52.84 2kts s LYS 20 Cb 0.01 -0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.02 2kts s LYS 20 CO 0.15 -0.16 1.16 -1.25 -0.76 0.00 0.00 175.35 174.50 2kts s PRO 21 N -3.94 2.65 0.41 -1.68 0.04 -1.26 -1.42 135.00 129.79 2kts s PRO 21 Ca 0.23 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 2kts s PRO 21 Cb 0.06 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2kts s PRO 21 CO 0.03 -1.41 0.69 0.08 0.04 0.00 0.00 177.00 176.43 2kts s VAL 22 N -2.03 4.95 -0.08 -0.36 1.01 -1.25 -4.89 120.40 117.75 2kts s VAL 22 Ca 0.72 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2kts s VAL 22 Cb -0.25 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2kts s VAL 22 CO 0.40 -0.65 -0.08 -0.89 0.00 0.00 0.00 175.10 173.88 2kts s THR 23 N -2.49 0.91 -0.19 3.92 2.01 -1.26 -5.06 115.64 113.49 2kts s THR 23 Ca 0.46 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 2kts s THR 23 Cb -0.10 -0.91 0.05 0.00 0.01 0.00 0.00 72.50 71.55 2kts s THR 23 CO 0.39 0.33 0.49 -0.44 -0.69 0.00 0.00 174.62 174.69 2kts s SER 24 N 1.31 -0.55 0.00 3.53 0.01 -1.26 -5.04 113.70 111.70 2kts s SER 24 Ca -0.03 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2kts s SER 24 Cb -0.14 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.06 2kts s SER 24 CO -0.03 -0.18 0.30 -0.67 0.41 0.00 0.00 173.24 173.06 2kts n ASP 25 N 3.39 0.00 0.00 2.44 -0.08 -1.26 -4.69 116.55 116.35 2kts n ASP 25 Ca -0.17 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2kts n ASP 25 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2kts n ASP 25 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2kts n LYS 26 N -0.48 0.02 -3.78 -0.67 0.00 -1.26 -4.95 118.16 107.04 2kts n LYS 26 Ca 0.00 -0.09 -0.32 0.00 -0.00 0.00 0.00 58.31 57.90 2kts n LYS 26 Cb 0.00 -0.54 -0.10 0.00 -0.00 0.00 0.00 35.03 34.39 2kts n LYS 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kts s ASN 27 N -0.03 5.33 1.01 -5.58 0.01 -1.26 -5.11 114.94 109.31 2kts s ASN 27 Ca 0.00 -3.71 -0.12 0.00 -0.71 0.00 0.00 52.86 48.31 2kts s ASN 27 Cb 0.00 -1.76 0.20 0.00 0.41 0.00 0.00 41.25 40.09 2kts s ASN 27 CO 0.00 -0.15 1.09 -2.16 -1.51 0.00 0.00 177.10 174.37 2kts s PRO 28 N -1.29 0.31 -0.25 -0.60 0.04 -1.26 -4.89 135.00 127.06 2kts s PRO 28 Ca 0.25 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.59 2kts s PRO 28 Cb -0.07 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2kts s PRO 28 CO -0.13 -2.82 2.10 -1.25 0.04 0.00 0.00 177.00 174.93 2kts s PRO 29 N -4.90 3.18 0.23 0.56 0.04 -1.26 -4.93 135.00 127.92 2kts s PRO 29 Ca 0.66 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.58 2kts s PRO 29 Cb -0.19 -4.32 -0.05 0.00 0.04 0.00 0.00 34.50 29.97 2kts s PRO 29 CO 0.58 -2.05 -0.02 -1.83 0.04 0.00 0.00 177.00 173.72 2kts s GLU 30 N 6.17 1.35 -0.03 4.56 -1.05 -1.26 -0.93 118.70 127.52 2kts s GLU 30 Ca 0.95 -1.68 -0.08 0.00 -0.15 0.00 0.00 54.97 54.01 2kts s GLU 30 Cb -0.30 -0.71 0.01 0.00 -0.44 0.00 0.00 34.13 32.69 2kts s GLU 30 CO 0.35 -0.06 0.18 -1.50 0.95 0.00 0.00 175.26 175.17 2kts s ILE 31 N -3.34 0.05 0.31 1.83 2.07 0.71 -3.08 121.20 119.74 2kts s ILE 31 Ca 0.28 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 59.14 2kts s ILE 31 Cb 0.05 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 2kts s ILE 31 CO 0.09 -0.22 0.12 -0.94 -1.91 0.00 0.00 174.94 172.07 2kts s SER 32 N -0.81 1.78 0.12 4.50 1.04 0.70 -0.59 113.70 120.44 2kts s SER 32 Ca -0.09 -1.49 0.02 0.00 0.48 0.00 0.00 55.95 54.87 2kts s SER 32 Cb -0.05 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2kts s SER 32 CO 0.01 -0.80 0.08 0.49 0.98 0.00 0.00 173.24 174.01 2kts n PHE 33 N -0.62 -0.17 -3.18 5.02 3.72 -1.26 -1.55 117.46 119.42 2kts n PHE 33 Ca -0.01 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 2kts n PHE 33 Cb 0.66 0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 2kts n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kts n GLY 34 N 0.25 -0.58 3.51 1.37 0.00 -0.66 -4.67 105.19 104.41 2kts n GLY 34 Ca 0.01 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2kts n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kts n GLU 35 N 0.00 0.29 -2.12 1.61 2.13 -1.26 -1.65 120.64 119.64 2kts n GLU 35 Ca 0.00 0.14 -0.13 0.00 0.66 0.00 0.00 57.16 57.83 2kts n GLU 35 Cb 0.00 -1.95 -0.02 0.00 0.27 0.00 0.00 31.44 29.74 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2kts n LYS 36 N -1.21 -1.90 -2.08 5.31 5.02 -1.26 -1.34 118.16 120.70 2kts n LYS 36 Ca 0.11 0.69 -0.16 0.00 -2.02 0.00 0.00 58.31 56.93 2kts n LYS 36 Cb 0.50 -5.19 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 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 -2.55 -1.78 -1.12 1.97 2.81 -0.66 -4.44 117.12 111.35 2kts n MET 37 Ca -0.15 0.82 -0.34 0.00 -1.81 0.00 0.00 57.70 56.22 2kts n MET 37 Cb 0.57 -5.33 0.11 0.00 -0.71 0.00 0.00 33.22 27.85 2kts n MET 37 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2kts n MET 38 N -2.59 0.17 -4.99 0.03 2.81 -0.45 -1.96 117.12 110.15 2kts n MET 38 Ca -0.18 0.12 -0.28 0.00 -1.81 0.00 0.00 57.70 55.55 2kts n MET 38 Cb 0.60 -2.16 -0.16 0.00 -0.71 0.00 0.00 33.22 30.79 2kts n MET 38 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2kts s ILE 39 N -2.08 1.65 -0.10 2.02 1.01 -0.59 -1.65 121.20 121.47 2kts s ILE 39 Ca 0.69 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 2kts s ILE 39 Cb -0.30 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.79 2kts s ILE 39 CO 0.55 0.47 -0.06 -0.44 0.00 0.00 0.00 174.94 175.46 2kts s SER 40 N -0.06 1.96 0.12 3.58 0.01 -0.60 -3.39 113.70 115.33 2kts s SER 40 Ca -0.03 -0.25 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2kts s SER 40 Cb -0.12 -0.73 0.07 0.00 0.21 0.00 0.00 66.02 65.45 2kts s SER 40 CO 0.02 -0.12 0.85 -0.83 0.41 0.00 0.00 173.24 173.57 2kts s GLY 41 N 1.66 -0.35 -0.29 3.44 0.00 -1.22 -0.21 107.32 110.36 2kts s GLY 41 Ca 0.03 0.40 -0.00 0.00 0.00 0.00 0.00 44.72 45.15 2kts s GLY 41 CO -0.06 0.12 0.54 -1.35 0.00 0.00 0.00 173.10 172.34 2kts s SER 42 N -2.76 -0.95 -0.14 1.64 1.04 -1.18 -1.67 113.70 109.68 2kts s SER 42 Ca 0.08 0.59 -0.09 0.00 0.48 0.00 0.00 55.95 57.01 2kts s SER 42 Cb -0.02 1.86 -0.05 0.00 0.10 0.00 0.00 66.02 67.91 2kts s SER 42 CO -0.03 -0.28 -0.05 0.24 0.98 0.00 0.00 173.24 174.10 2kts h MET 43 N 8.05 0.00 0.00 4.02 2.86 -1.87 -3.38 114.93 124.61 2kts h MET 43 Ca -0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2kts h MET 43 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2kts h MET 43 CO 0.25 0.16 0.00 0.00 1.06 0.00 0.00 176.91 178.38 2kts n ASN 45 N 0.00 1.56 -0.23 0.00 3.02 -1.26 -4.47 115.26 113.89 2kts n ASN 45 Ca 0.00 -2.38 0.01 0.00 -0.03 0.00 0.00 54.58 52.18 2kts n ASN 45 Cb 0.00 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2kts n ASN 45 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kts n ARG 46 N -0.77 -0.15 -3.60 3.52 1.85 -1.26 -0.19 116.66 116.06 2kts n ARG 46 Ca 0.07 0.10 -0.04 0.00 -1.00 0.00 0.00 57.85 56.98 2kts n ARG 46 Cb 0.54 -0.18 -0.02 0.00 -1.05 0.00 0.00 32.46 31.75 2kts n ARG 46 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2kts s PHE 47 N -0.31 -0.14 -0.21 2.89 -0.71 -0.67 -4.59 117.98 114.24 2kts s PHE 47 Ca 0.00 0.05 -0.15 0.00 -1.04 0.00 0.00 56.93 55.78 2kts s PHE 47 Cb 0.00 0.53 0.06 0.00 -1.21 0.00 0.00 43.02 42.40 2kts s PHE 47 CO 0.00 -0.31 0.53 -1.54 -1.34 0.00 0.00 175.22 172.56 2kts s SER 48 N -2.46 -0.63 0.04 1.98 1.04 -0.91 -3.38 113.70 109.38 2kts s SER 48 Ca 0.10 1.12 -0.28 0.00 0.48 0.00 0.00 55.95 57.37 2kts s SER 48 Cb 0.00 1.07 0.09 0.00 0.10 0.00 0.00 66.02 67.28 2kts s SER 48 CO -0.05 -0.20 1.01 -0.83 0.98 0.00 0.00 173.24 174.15 2kts s GLY 49 N 0.88 -0.35 -0.63 7.32 0.00 -1.22 -1.61 107.32 111.71 2kts s GLY 49 Ca -0.05 0.67 -0.26 0.00 0.00 0.00 0.00 44.72 45.09 2kts s GLY 49 CO -0.07 0.19 1.10 -1.83 0.00 0.00 0.00 173.10 172.49 2kts s GLU 50 N -3.01 3.29 1.30 2.90 -1.05 -1.26 -1.54 118.70 119.33 2kts s GLU 50 Ca 0.10 -0.25 -0.19 0.00 -0.15 0.00 0.00 54.97 54.48 2kts s GLU 50 Cb -0.00 -4.11 0.31 0.00 -0.44 0.00 0.00 34.13 29.88 2kts s GLU 50 CO -0.03 -1.78 0.79 0.41 0.95 0.00 0.00 175.26 175.60 2kts n GLY 51 N 5.22 -2.99 3.13 -3.83 0.00 -0.83 -4.27 105.19 101.62 2kts n GLY 51 Ca 0.03 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.50 0.67 -0.33 1.61 2.20 -1.20 -4.56 119.74 113.62 2kts s LYS 52 Ca 0.64 -1.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2kts s LYS 52 Cb -0.17 0.25 0.15 0.00 -1.51 0.00 0.00 37.83 36.55 2kts s LYS 52 CO 0.59 -0.16 0.35 -1.17 -0.36 0.00 0.00 175.35 174.59 2kts s LEU 53 N -2.75 -0.20 0.00 5.43 2.96 -1.26 -4.21 118.68 118.65 2kts s LEU 53 Ca 0.04 -1.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.82 2kts s LEU 53 Cb 0.05 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.33 2kts s LEU 53 CO -0.09 -0.32 0.38 -0.24 -1.32 0.00 0.00 176.35 174.75 2kts n SER 54 N 4.79 0.20 0.00 3.68 2.88 -1.26 -4.66 113.62 119.25 2kts n SER 54 Ca 0.05 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2kts n SER 54 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2kts n SER 54 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kts n ASN 55 N -0.04 0.00 0.00 -3.46 6.94 -1.26 -5.03 115.26 112.41 2kts n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2kts n ASN 55 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kts n GLY 56 N 0.04 1.38 3.04 4.83 0.00 -1.26 -5.12 105.19 108.11 2kts n GLY 56 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2kts n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kts s GLU 57 N -0.04 1.94 -0.70 1.61 2.12 -1.26 -2.07 118.70 120.29 2kts s GLU 57 Ca 0.00 -0.48 -0.14 0.00 0.36 0.00 0.00 54.97 54.70 2kts s GLU 57 Cb 0.00 -1.61 0.18 0.00 0.26 0.00 0.00 34.13 32.96 2kts s GLU 57 CO 0.00 0.00 0.65 -1.17 -0.54 0.00 0.00 175.26 174.20 2kts s LEU 58 N 0.77 6.48 0.15 2.70 2.96 0.08 -4.48 118.68 127.35 2kts s LEU 58 Ca -0.12 -2.32 -0.12 0.00 -0.22 0.00 0.00 54.13 51.35 2kts s LEU 58 Cb -0.16 -2.20 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 2kts s LEU 58 CO 0.02 -0.68 0.51 0.42 -1.32 0.00 0.00 176.35 175.30 2kts s THR 59 N 0.75 4.94 -0.26 3.68 -4.23 -1.26 -1.98 115.64 117.28 2kts s THR 59 Ca 0.12 0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 61.21 2kts s THR 59 Cb -0.19 -3.68 0.10 0.00 1.34 0.00 0.00 72.50 70.07 2kts s THR 59 CO -0.04 0.16 0.14 0.00 -0.54 0.00 0.00 174.62 174.34 2kts s ALA 60 N -1.55 0.44 0.02 3.99 0.00 0.25 -3.27 121.76 121.63 2kts s ALA 60 Ca 0.39 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 51.30 2kts s ALA 60 Cb -0.14 -1.36 -0.14 0.00 0.00 0.00 0.00 23.12 21.49 2kts s ALA 60 CO 0.20 -1.54 1.11 0.87 0.00 0.00 0.00 175.76 176.39 2kts h LYS 61 N 8.39 -0.88 0.55 0.00 1.57 -1.79 -3.38 116.57 121.02 2kts h LYS 61 Ca -0.18 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2kts h LYS 61 Cb 1.05 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 2kts h LYS 61 CO 0.39 -0.59 -0.51 0.78 -0.57 0.00 0.00 179.45 178.96 2kts h GLY 62 N -1.16 -1.28 -6.27 3.86 0.00 -1.90 -3.47 103.07 92.86 2kts h GLY 62 Ca -0.09 0.59 -0.43 0.00 0.00 0.00 0.00 47.33 47.40 2kts h GLY 62 CO 0.15 -0.39 -0.92 -0.10 0.00 0.00 0.00 176.54 175.29 2kts n LEU 63 N -5.58 -2.77 -4.73 3.11 7.94 -1.15 -4.95 117.00 108.88 2kts n LEU 63 Ca -0.13 -1.00 -0.41 0.00 -1.11 0.00 0.00 56.01 53.37 2kts n LEU 63 Cb 0.47 -2.34 -0.04 0.00 0.53 0.00 0.00 43.42 42.04 2kts n LEU 63 CO 0.28 0.43 0.70 0.00 -1.11 0.00 0.00 177.39 177.69 2kts s ALA 64 N -3.43 3.28 0.21 1.96 0.00 -0.63 -4.76 121.76 118.39 2kts s ALA 64 Ca 0.44 0.64 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2kts s ALA 64 Cb -0.16 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2kts s ALA 64 CO 0.87 -0.06 0.10 -1.33 0.00 0.00 0.00 175.76 175.33 2kts n MET 65 N 2.65 0.58 -0.67 0.00 0.00 -1.26 -2.13 117.12 116.29 2kts n MET 65 Ca 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 57.70 55.88 2kts n MET 65 Cb 0.48 1.16 0.00 0.00 0.00 0.00 0.00 33.22 34.86 2kts n MET 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2kts n THR 66 N -0.45 0.00 -3.62 2.03 -2.24 0.73 -5.02 114.28 105.71 2kts n THR 66 Ca -0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 2kts n THR 66 Cb 0.33 -0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 2kts n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kts s ARG 67 N 0.19 1.16 0.09 -0.78 3.00 -1.26 -4.95 118.95 116.40 2kts s ARG 67 Ca 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 55.73 53.73 2kts s ARG 67 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 34.95 32.86 2kts s ARG 67 CO 0.00 -1.22 0.00 -1.64 0.00 0.00 0.00 175.30 172.44 2kts s MET 68 N 0.31 0.78 0.33 3.54 -1.94 -1.26 -5.11 119.30 115.95 2kts s MET 68 Ca 0.21 -1.34 0.10 0.00 -1.71 0.00 0.00 55.69 52.95 2kts s MET 68 Cb -0.18 0.17 -0.06 0.00 2.01 0.00 0.00 34.83 36.77 2kts s MET 68 CO -0.04 -0.17 -0.08 -1.64 -0.01 0.00 0.00 175.02 173.08 2kts s MET 69 N -3.97 1.87 0.00 2.03 -1.94 -1.26 -4.75 119.30 111.28 2kts s MET 69 Ca 0.15 -1.86 0.10 0.00 -1.71 0.00 0.00 55.69 52.37 2kts s MET 69 Cb 0.07 -1.77 0.16 0.00 2.01 0.00 0.00 34.83 35.31 2kts s MET 69 CO -0.04 0.17 1.06 0.00 -0.01 0.00 0.00 175.02 176.20 2kts n ALA 71 N 0.19 0.00 -2.87 0.00 0.00 -1.26 -4.89 120.51 111.68 2kts n ALA 71 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2kts n ALA 71 Cb 0.87 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 2kts n ALA 71 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kts s ASN 72 N -1.46 0.31 0.48 0.00 0.01 -1.26 -5.05 114.94 107.98 2kts s ASN 72 Ca 0.00 -0.23 0.27 0.00 -0.71 0.00 0.00 52.86 52.19 2kts s ASN 72 Cb 0.00 0.02 0.82 0.00 0.41 0.00 0.00 41.25 42.50 2kts s ASN 72 CO 0.00 -0.09 1.78 1.55 -1.51 0.00 0.00 177.10 178.83 2kts h PRO 73 N 5.49 0.00 -0.46 -0.60 0.13 -1.99 -3.21 132.00 131.36 2kts h PRO 73 Ca -0.29 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.87 2kts h PRO 73 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2kts h PRO 73 CO 0.47 0.05 0.27 0.37 -0.23 0.00 0.00 178.00 178.92 2kts h GLN 74 N 0.00 0.52 -0.49 0.86 4.15 -1.97 0.24 115.11 118.41 2kts h GLN 74 Ca -0.00 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 2kts h GLN 74 Cb 0.79 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 2kts h GLN 74 CO 0.01 0.34 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.13 2kts h LEU 75 N 0.53 0.90 -0.48 -2.39 3.38 -1.89 -3.05 115.31 112.32 2kts h LEU 75 Ca 0.19 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2kts h LEU 75 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2kts h LEU 75 CO -0.10 1.02 0.31 -1.13 0.09 0.00 0.00 178.44 178.63 2kts h ASN 76 N 0.76 0.53 -0.76 -0.43 -0.00 -1.29 -2.19 115.58 112.21 2kts h ASN 76 Ca 0.13 -0.01 0.07 0.00 -0.00 0.00 0.00 56.30 56.49 2kts h ASN 76 Cb 0.59 -0.13 -0.06 0.00 -0.00 0.00 0.00 38.32 38.72 2kts h ASN 76 CO 0.04 0.38 0.44 -0.33 -0.00 0.00 0.00 177.43 177.96 2kts h GLU 77 N 0.63 0.77 -0.19 6.67 5.08 -0.57 -2.54 114.58 124.42 2kts h GLU 77 Ca 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2kts h GLU 77 Cb -0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2kts h GLU 77 CO -0.05 0.51 0.07 -0.07 -1.00 0.00 0.00 179.01 178.47 2kts h LEU 78 N 0.79 0.23 -1.03 1.33 -0.00 -1.28 0.41 115.31 115.77 2kts h LEU 78 Ca 0.34 -0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.34 2kts h LEU 78 Cb 0.23 -0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 40.74 2kts h LEU 78 CO -0.20 0.23 0.63 -0.78 -0.00 0.00 0.00 178.44 178.32 2kts h ASP 79 N 0.27 0.90 0.27 -0.43 3.58 -1.35 -1.29 116.42 118.37 2kts h ASP 79 Ca 0.07 0.05 -0.34 0.00 0.42 0.00 0.00 57.03 57.23 2kts h ASP 79 Cb 0.07 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2kts h ASP 79 CO -0.01 0.46 -1.77 -0.55 -2.88 0.00 0.00 179.24 174.49 2kts h ASN 80 N 0.96 0.43 -0.04 2.28 7.08 -1.42 -3.32 115.58 121.54 2kts h ASN 80 Ca 0.50 -0.74 0.04 0.00 -3.08 0.00 0.00 56.30 53.02 2kts h ASN 80 Cb 0.54 -0.14 -0.05 0.00 -2.08 0.00 0.00 38.32 36.59 2kts h ASN 80 CO -0.27 1.64 -0.28 0.74 -2.08 0.00 0.00 177.43 177.18 2kts h THR 81 N 0.07 0.37 -0.21 6.14 2.02 -0.59 -0.88 112.91 119.84 2kts h THR 81 Ca -0.34 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2kts h THR 81 Cb 2.05 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2kts h THR 81 CO 0.13 0.00 -0.11 -0.29 0.37 0.00 0.00 175.52 175.63 2kts h ILE 82 N -0.40 1.19 0.28 3.11 6.09 -1.44 -3.07 117.51 123.27 2kts h ILE 82 Ca 0.07 -0.84 -0.01 0.00 -1.37 0.00 0.00 64.86 62.71 2kts h ILE 82 Cb 0.51 1.15 0.00 0.00 0.47 0.00 0.00 36.82 38.95 2kts h ILE 82 CO -0.27 0.27 -0.13 0.77 -3.07 0.00 0.00 178.15 175.72 2kts h SER 83 N 0.32 -0.31 -0.66 2.19 4.64 -1.27 -1.55 113.55 116.91 2kts h SER 83 Ca 0.07 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2kts h SER 83 Cb 0.39 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2kts h SER 83 CO 0.02 -0.06 0.30 -0.08 -0.87 0.00 0.00 176.83 176.14 2kts h GLU 84 N -0.58 0.97 -0.85 4.77 4.57 -1.50 -0.89 114.58 121.07 2kts h GLU 84 Ca -0.04 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2kts h GLU 84 Cb 0.42 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 2kts h GLU 84 CO 0.06 0.79 0.55 0.52 -1.18 0.00 0.00 179.01 179.75 2kts h MET 85 N 0.93 1.13 0.00 1.92 2.86 -1.43 -0.75 114.93 119.58 2kts h MET 85 Ca 0.23 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2kts h MET 85 Cb 0.15 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2kts h MET 85 CO -0.02 0.77 -0.04 -0.07 1.06 0.00 0.00 176.91 178.60 2kts h LEU 86 N 1.16 0.00 0.10 1.22 -0.00 -0.70 0.65 115.31 117.73 2kts h LEU 86 Ca 0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2kts h LEU 86 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2kts h LEU 86 CO -0.06 0.00 -0.05 0.11 -0.00 0.00 0.00 178.44 178.44 2kts h LYS 87 N 0.00 -0.13 0.00 1.13 6.56 -0.67 0.74 116.57 124.20 2kts h LYS 87 Ca 0.00 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2kts h LYS 87 Cb 0.97 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.65 2kts h LYS 87 CO 0.00 0.29 -0.21 1.05 -2.06 0.00 0.00 179.45 178.52 2kts h GLU 88 N -0.95 0.00 0.00 3.15 4.11 -1.17 -3.46 114.58 116.26 2kts h GLU 88 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kts h GLU 88 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kts h GLU 88 CO 0.02 0.21 0.00 0.41 0.07 0.00 0.00 179.01 179.72 2kts n GLY 89 N -0.16 0.94 3.73 1.06 0.00 0.12 -5.00 105.19 105.88 2kts n GLY 89 Ca -0.01 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 3.40 -0.03 4.61 0.00 -0.61 -4.78 121.76 124.36 2kts s ALA 90 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2kts s ALA 90 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2kts s ALA 90 CO 0.00 -0.34 1.30 -0.65 0.00 0.00 0.00 175.76 176.07 2kts s GLN 91 N 0.14 4.32 -0.12 0.00 1.11 0.04 -0.74 119.66 124.41 2kts s GLN 91 Ca 0.54 1.82 0.03 0.00 0.01 0.00 0.00 55.36 57.75 2kts s GLN 91 Cb -0.31 -3.56 0.01 0.00 -1.01 0.00 0.00 33.01 28.14 2kts s GLN 91 CO 0.34 -0.51 -0.20 0.08 0.01 0.00 0.00 175.29 175.01 2kts s VAL 92 N 2.31 1.82 -0.47 1.09 1.01 -0.88 -2.25 120.40 123.03 2kts s VAL 92 Ca 0.60 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2kts s VAL 92 Cb -0.28 -1.62 0.17 0.00 0.00 0.00 0.00 36.38 34.65 2kts s VAL 92 CO 0.24 0.51 0.37 -0.62 0.00 0.00 0.00 175.10 175.59 2kts s ASP 93 N 0.74 2.26 -0.63 3.32 -1.08 -0.24 -4.78 116.67 116.27 2kts s ASP 93 Ca -0.10 -3.20 -0.25 0.00 -0.52 0.00 0.00 52.55 48.48 2kts s ASP 93 Cb -0.16 -0.71 0.05 0.00 -1.46 0.00 0.00 42.92 40.64 2kts s ASP 93 CO 0.01 -0.16 1.05 -0.22 0.52 0.00 0.00 175.17 176.37 2kts s LEU 94 N -0.22 3.91 0.91 -1.34 1.98 -1.26 -0.90 118.68 121.75 2kts s LEU 94 Ca 0.30 -0.52 -0.13 0.00 -2.89 0.00 0.00 54.13 50.90 2kts s LEU 94 Cb 0.00 -2.68 0.18 0.00 0.66 0.00 0.00 46.19 44.35 2kts s LEU 94 CO -0.18 -1.46 1.25 -0.89 -1.89 0.00 0.00 176.35 173.18 2kts s THR 95 N 4.49 2.03 0.66 3.68 2.01 0.04 -4.32 115.64 124.23 2kts s THR 95 Ca 0.30 -0.13 0.28 0.00 0.31 0.00 0.00 61.69 62.46 2kts s THR 95 Cb -0.12 -2.90 0.29 0.00 0.01 0.00 0.00 72.50 69.77 2kts s THR 95 CO 0.16 0.00 1.87 0.00 -0.69 0.00 0.00 174.62 175.96 2kts h ALA 96 N -1.38 1.39 0.00 7.40 0.00 -2.02 -3.21 119.26 121.44 2kts h ALA 96 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kts h ALA 96 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kts h ALA 96 CO 0.39 -0.38 0.00 0.27 0.00 0.00 0.00 179.25 179.54 2kts n ASN 97 N -2.89 0.00 -4.39 0.00 0.23 -1.26 -5.09 115.26 101.86 2kts n ASN 97 Ca -0.02 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.70 2kts n ASN 97 Cb 0.42 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.98 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 3.44 -0.18 -3.83 0.74 -1.21 -3.23 119.66 115.39 2kts s GLN 98 Ca 0.00 -0.65 -0.25 0.00 0.05 0.00 0.00 55.36 54.51 2kts s GLN 98 Cb 0.00 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.37 2kts s GLN 98 CO 0.00 0.18 0.84 -1.17 -0.55 0.00 0.00 175.29 174.59 2kts s LEU 99 N 0.46 4.16 -0.17 3.68 0.20 -1.22 -0.78 118.68 125.01 2kts s LEU 99 Ca -0.08 1.17 -0.03 0.00 0.69 0.00 0.00 54.13 55.87 2kts s LEU 99 Cb -0.15 -3.24 -0.02 0.00 -0.43 0.00 0.00 46.19 42.34 2kts s LEU 99 CO 0.04 -0.43 -0.05 -0.89 -0.29 0.00 0.00 176.35 174.74 2kts s THR 100 N 2.29 3.69 0.00 3.68 2.01 -0.08 -1.96 115.64 125.28 2kts s THR 100 Ca 0.38 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2kts s THR 100 Cb -0.16 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2kts s THR 100 CO 0.11 0.48 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.62 2kts s LEU 101 N 0.61 2.75 0.07 4.42 2.01 -0.57 -1.07 118.68 126.90 2kts s LEU 101 Ca -0.03 -0.29 -0.06 0.00 0.01 0.00 0.00 54.13 53.75 2kts s LEU 101 Cb -0.15 -1.59 -0.01 0.00 0.01 0.00 0.00 46.19 44.45 2kts s LEU 101 CO 0.03 0.29 0.12 0.00 1.01 0.00 0.00 176.35 177.80 2kts s ALA 102 N -0.87 -0.01 0.32 4.21 0.00 -0.95 -2.32 121.76 122.14 2kts s ALA 102 Ca 0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 2kts s ALA 102 Cb -0.11 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.46 2kts s ALA 102 CO 0.04 -0.46 0.78 0.99 0.00 0.00 0.00 175.76 177.11 2kts s THR 103 N -3.78 0.00 0.48 0.00 2.01 0.12 -0.78 115.64 113.69 2kts s THR 103 Ca 0.05 -0.97 0.18 0.00 0.31 0.00 0.00 61.69 61.26 2kts s THR 103 Cb 0.05 -2.48 0.24 0.00 0.01 0.00 0.00 72.50 70.32 2kts s THR 103 CO -0.10 0.00 2.08 0.00 -0.69 0.00 0.00 174.62 175.91 2kts h ALA 104 N 2.00 1.71 -3.00 7.40 0.00 -1.96 -3.20 119.26 122.21 2kts h ALA 104 Ca -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kts h ALA 104 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kts h ALA 104 CO 0.33 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.33 2kts n LYS 105 N -4.24 0.00 -1.90 0.00 4.76 -1.26 -5.09 118.16 110.44 2kts n LYS 105 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2kts n LYS 105 Cb 0.18 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 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 -0.26 0.00 -3.76 1.97 6.02 -1.21 -5.17 117.38 114.97 2kts n GLN 106 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 2kts n GLN 106 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 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 -2.05 0.04 0.09 5.09 -1.32 -1.26 -0.70 115.64 115.52 2kts s THR 107 Ca 0.00 -0.34 -0.06 0.00 -1.21 0.00 0.00 61.69 60.07 2kts s THR 107 Cb 0.00 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.39 2kts s THR 107 CO 0.00 -0.19 0.13 -0.76 -2.21 0.00 0.00 174.62 171.60 2kts s LEU 108 N -0.92 1.68 -0.03 9.08 1.43 -0.98 -2.25 118.68 126.68 2kts s LEU 108 Ca -0.10 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2kts s LEU 108 Cb -0.04 0.80 0.01 0.00 0.03 0.00 0.00 46.19 46.98 2kts s LEU 108 CO 0.03 -0.71 -0.07 -0.89 0.23 0.00 0.00 176.35 174.94 2kts s THR 109 N -3.90 0.70 0.52 5.49 2.01 -0.24 -1.51 115.64 118.71 2kts s THR 109 Ca 0.08 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2kts s THR 109 Cb 0.06 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 2kts s THR 109 CO -0.09 0.23 0.07 -0.31 -0.69 0.00 0.00 174.62 173.83 2kts s TYR 110 N 0.42 1.79 -0.00 4.92 1.51 -0.83 -1.56 117.35 123.60 2kts s TYR 110 Ca -0.06 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 2kts s TYR 110 Cb -0.10 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2kts s TYR 110 CO 0.01 0.10 -0.01 0.21 -1.11 0.00 0.00 175.55 174.75 2kts s LYS 111 N -3.95 0.09 0.00 -0.62 2.47 -0.79 -3.45 119.74 113.49 2kts s LYS 111 Ca 0.09 -0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.48 2kts s LYS 111 Cb 0.01 -0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.26 2kts s LYS 111 CO 0.05 0.00 0.01 -0.11 0.16 0.00 0.00 175.35 175.47 2kts n LEU 112 N 3.18 0.03 -4.57 5.43 7.94 -1.20 -2.37 117.00 125.43 2kts n LEU 112 Ca -0.14 -0.01 -0.25 0.00 -1.11 0.00 0.00 56.01 54.50 2kts n LEU 112 Cb 0.59 -0.01 -0.06 0.00 0.53 0.00 0.00 43.42 44.46 2kts n LEU 112 CO 0.25 0.01 1.37 0.00 -1.11 0.00 0.00 177.39 177.91 2kts s ALA 113 N -1.03 1.49 -0.34 1.96 0.00 -1.26 -4.76 121.76 117.82 2kts s ALA 113 Ca 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.25 2kts s ALA 113 Cb 0.00 -4.63 0.39 0.00 0.00 0.00 0.00 23.12 18.88 2kts s ALA 113 CO 0.00 -5.35 1.74 -3.47 0.00 0.00 0.00 175.76 168.68 2kts n ASP 114 N 15.27 4.62 -0.35 0.00 -0.08 -1.26 -4.64 116.55 130.11 2kts n ASP 114 Ca 0.43 -3.14 -0.04 0.00 -1.51 0.00 0.00 54.79 50.52 2kts n ASP 114 Cb 0.46 -0.83 -0.02 0.00 2.34 0.00 0.00 41.12 43.08 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 -0.42 0.37 -4.21 -2.67 4.77 -1.26 -4.92 117.00 108.65 2kts n LEU 115 Ca 0.40 0.10 -0.27 0.00 -0.03 0.00 0.00 56.01 56.21 2kts n LEU 115 Cb 1.06 -2.33 -0.16 0.00 -2.33 0.00 0.00 43.42 39.65 2kts n LEU 115 CO 0.44 -0.90 -0.53 -0.32 -1.33 0.00 0.00 177.39 174.76 2kts s MET 116 N -2.17 1.71 0.00 3.23 1.75 -1.26 -5.27 119.30 117.28 2kts s MET 116 Ca 0.00 -0.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.71 2kts s MET 116 Cb 0.00 -1.63 0.00 0.00 2.84 0.00 0.00 34.83 36.04 2kts s MET 116 CO 0.00 0.43 0.31 0.09 -0.65 0.00 0.00 175.02 175.20