#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 3.54 0.13 3.17 0.11 -1.26 -4.99 120.40 121.10 2kts s VAL 2 Ca 0.00 0.79 0.04 0.00 -2.93 0.00 0.00 61.98 59.88 2kts s VAL 2 Cb 0.00 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2kts s VAL 2 CO 0.00 -0.37 -0.09 0.42 -3.33 0.00 0.00 175.10 171.73 2kts s THR 3 N -2.24 1.02 0.33 5.04 -4.23 -1.26 -4.94 115.64 109.35 2kts s THR 3 Ca 0.67 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2kts s THR 3 Cb -0.19 -1.72 0.14 0.00 1.34 0.00 0.00 72.50 72.07 2kts s THR 3 CO 0.34 -0.74 1.84 1.55 -0.54 0.00 0.00 174.62 177.07 2kts h PRO 4 N 2.96 0.49 -0.06 3.99 0.13 -1.95 -2.82 132.00 134.75 2kts h PRO 4 Ca -0.36 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2kts h PRO 4 Cb 1.18 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 2kts h PRO 4 CO 0.62 0.57 -0.33 1.49 -0.23 0.00 0.00 178.00 180.12 2kts h GLU 5 N 0.46 -0.43 -0.58 0.86 4.81 -1.99 -1.24 114.58 116.47 2kts h GLU 5 Ca 0.09 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kts h GLU 5 Cb 0.41 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2kts h GLU 5 CO 0.02 -0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.01 2kts n GLN 6 N -5.41 0.51 0.06 1.92 10.64 -1.06 -3.53 117.38 120.50 2kts n GLN 6 Ca -0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 2kts n GLN 6 Cb 0.33 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 0.29 0.30 0.00 2.61 4.77 -0.72 -4.80 117.00 119.46 2kts n LEU 7 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2kts n LEU 7 Cb 0.14 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2kts n LEU 7 CO 0.00 -0.57 0.44 0.00 -1.33 0.00 0.00 177.39 175.94 2kts n GLN 8 N -3.21 0.00 -2.13 3.23 6.02 -0.55 -1.13 117.38 119.61 2kts n GLN 8 Ca 0.00 0.10 -0.01 0.00 -0.01 0.00 0.00 57.00 57.08 2kts n GLN 8 Cb 0.10 -1.84 0.04 0.00 1.02 0.00 0.00 30.24 29.57 2kts n GLN 8 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 2kts n HIS 9 N -1.05 -0.13 -4.33 1.08 1.44 -1.22 -4.02 115.22 106.99 2kts n HIS 9 Ca 0.00 -1.33 -0.17 0.00 -2.01 0.00 0.00 57.72 54.21 2kts n HIS 9 Cb 0.34 0.38 -0.10 0.00 0.12 0.00 0.00 29.99 30.73 2kts n HIS 9 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kts s HIS 10 N -1.18 1.56 -0.01 -1.40 3.76 -0.28 -5.03 115.29 112.70 2kts s HIS 10 Ca 0.19 -0.90 0.04 0.00 -0.15 0.00 0.00 55.06 54.25 2kts s HIS 10 Cb 0.31 -0.90 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 2kts s HIS 10 CO -0.09 -0.01 -0.14 0.50 -0.85 0.00 0.00 174.74 174.15 2kts s ARG 11 N -3.85 1.19 -0.15 1.40 3.52 -1.26 -3.50 118.95 116.30 2kts s ARG 11 Ca 0.28 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2kts s ARG 11 Cb 0.05 -1.14 0.05 0.00 -1.56 0.00 0.00 34.95 32.35 2kts s ARG 11 CO 0.08 0.29 0.06 -0.06 -0.81 0.00 0.00 175.30 174.86 2kts s PHE 12 N -0.28 0.55 -0.03 5.12 0.08 0.15 -1.74 117.98 121.82 2kts s PHE 12 Ca 0.04 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2kts s PHE 12 Cb -0.06 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2kts s PHE 12 CO -0.00 -0.49 0.09 0.08 -0.10 0.00 0.00 175.22 174.80 2kts s VAL 13 N 2.02 4.85 -0.84 -0.44 1.01 -1.01 -0.26 120.40 125.72 2kts s VAL 13 Ca 0.02 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2kts s VAL 13 Cb -0.16 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2kts s VAL 13 CO -0.08 0.41 1.40 -0.22 0.00 0.00 0.00 175.10 176.61 2kts s LEU 14 N -1.59 3.29 0.08 3.92 2.96 -1.24 -1.56 118.68 124.54 2kts s LEU 14 Ca 0.21 -0.77 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 2kts s LEU 14 Cb -0.12 -2.56 -0.22 0.00 0.50 0.00 0.00 46.19 43.79 2kts s LEU 14 CO 0.12 -1.78 1.20 -0.33 -1.32 0.00 0.00 176.35 174.23 2kts h GLU 15 N 10.26 0.63 -2.97 1.98 4.39 -1.42 -3.44 114.58 124.03 2kts h GLU 15 Ca -0.09 -0.71 -0.05 0.00 0.34 0.00 0.00 59.36 58.84 2kts h GLU 15 Cb 1.04 0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 29.75 2kts h GLU 15 CO 1.33 1.30 0.03 0.45 -1.16 0.00 0.00 179.01 180.95 2kts s SER 16 N -7.28 -0.40 0.72 1.42 0.15 -1.02 -4.68 113.70 102.60 2kts s SER 16 Ca -0.09 0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.52 2kts s SER 16 Cb 0.07 0.50 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 2kts s SER 16 CO 0.91 -0.78 1.02 -0.69 1.20 0.00 0.00 173.24 174.90 2kts s VAL 17 N -2.95 2.26 0.40 4.45 1.01 -1.05 -2.01 120.40 122.51 2kts s VAL 17 Ca -0.02 -0.32 0.14 0.00 0.00 0.00 0.00 61.98 61.78 2kts s VAL 17 Cb -0.00 -2.95 0.35 0.00 0.00 0.00 0.00 36.38 33.79 2kts s VAL 17 CO -0.06 0.00 1.87 -1.13 0.00 0.00 0.00 175.10 175.78 2kts h ASN 18 N -0.64 0.49 0.00 3.32 -1.24 -1.78 -3.34 115.58 112.40 2kts h ASN 18 Ca -0.43 0.04 -0.19 0.00 0.71 0.00 0.00 56.30 56.42 2kts h ASN 18 Cb 1.30 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 40.27 2kts h ASN 18 CO 0.55 0.23 -1.33 0.61 -1.29 0.00 0.00 177.43 176.19 2kts n GLY 19 N -1.49 -0.73 3.59 1.57 0.00 -1.26 -5.04 105.19 101.83 2kts n GLY 19 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2kts n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kts s LYS 20 N -2.45 1.48 1.02 1.61 -2.85 -1.25 -5.17 119.74 112.11 2kts s LYS 20 Ca -0.28 -0.67 -0.13 0.00 -1.00 0.00 0.00 55.97 53.89 2kts s LYS 20 Cb 0.07 0.60 0.20 0.00 -2.06 0.00 0.00 37.83 36.63 2kts s LYS 20 CO 0.45 -0.66 1.11 -1.25 0.10 0.00 0.00 175.35 175.09 2kts s PRO 21 N -3.81 0.25 -0.02 1.78 0.04 -1.26 -2.51 135.00 129.47 2kts s PRO 21 Ca 0.05 0.35 0.01 0.00 0.04 0.00 0.00 61.00 61.45 2kts s PRO 21 Cb -0.03 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.79 2kts s PRO 21 CO -0.05 -2.81 -0.05 0.54 0.04 0.00 0.00 177.00 174.67 2kts s VAL 22 N -3.05 0.44 -0.10 -0.36 0.11 -1.26 -4.88 120.40 111.30 2kts s VAL 22 Ca 0.66 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.50 2kts s VAL 22 Cb -0.16 -0.41 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2kts s VAL 22 CO 0.57 0.15 0.20 0.42 -3.33 0.00 0.00 175.10 173.11 2kts s THR 23 N 0.25 -0.22 -0.30 5.04 -4.23 -1.26 -4.94 115.64 109.99 2kts s THR 23 Ca -0.03 0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.84 2kts s THR 23 Cb -0.07 -0.34 0.46 0.00 1.34 0.00 0.00 72.50 73.90 2kts s THR 23 CO -0.00 0.11 1.17 -1.20 -0.54 0.00 0.00 174.62 174.15 2kts n SER 24 N 4.89 4.36 0.00 3.99 7.64 -1.26 -5.00 113.62 128.24 2kts n SER 24 Ca -0.14 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.27 2kts n SER 24 Cb 0.51 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.66 0.00 0.00 6.43 8.00 -1.26 -2.10 116.55 126.96 2kts n ASP 25 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2kts n ASP 25 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 2kts n ASP 25 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2kts n LYS 26 N 0.00 2.52 -3.59 -1.24 -0.00 -1.26 -4.96 118.16 109.63 2kts n LYS 26 Ca 0.00 -0.03 -0.31 0.00 -0.00 0.00 0.00 58.31 57.97 2kts n LYS 26 Cb 0.00 -0.29 -0.08 0.00 -0.00 0.00 0.00 35.03 34.67 2kts n LYS 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kts n ASN 27 N -0.37 3.94 -4.70 -5.58 5.03 -0.89 -5.09 115.26 107.59 2kts n ASN 27 Ca 0.00 -3.29 -0.30 0.00 0.87 0.00 0.00 54.58 51.86 2kts n ASN 27 Cb 0.02 -0.86 0.14 0.00 -1.02 0.00 0.00 39.78 38.06 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kts s PRO 28 N -1.90 1.33 -0.47 3.52 0.04 -1.26 -4.68 135.00 131.58 2kts s PRO 28 Ca 0.31 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 2kts s PRO 28 Cb 0.02 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.63 2kts s PRO 28 CO -0.08 -2.28 1.69 -0.35 0.04 0.00 0.00 177.00 176.01 2kts n PRO 29 N -3.95 0.99 -1.64 0.56 -0.04 -1.26 -4.94 135.00 124.73 2kts n PRO 29 Ca 0.09 -1.24 -0.29 0.00 -0.04 0.00 0.00 63.50 62.02 2kts n PRO 29 Cb 0.54 -2.48 0.12 0.00 -0.04 0.00 0.00 33.50 31.63 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 4.97 1.41 0.06 0.54 -1.05 -1.25 -3.72 118.70 119.66 2kts s GLU 30 Ca 0.41 0.26 -0.00 0.00 -0.15 0.00 0.00 54.97 55.48 2kts s GLU 30 Cb 0.10 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.88 2kts s GLU 30 CO 0.10 -2.00 -0.04 -1.50 0.95 0.00 0.00 175.26 172.76 2kts s ILE 31 N -3.36 0.33 0.33 1.83 2.07 0.64 -1.88 121.20 121.16 2kts s ILE 31 Ca 0.63 -1.82 -0.05 0.00 -1.41 0.00 0.00 60.65 58.00 2kts s ILE 31 Cb -0.14 -1.53 0.00 0.00 0.13 0.00 0.00 42.46 40.93 2kts s ILE 31 CO 0.52 -0.96 0.49 -0.94 -1.91 0.00 0.00 174.94 172.14 2kts s SER 32 N -2.91 0.68 0.04 4.50 1.04 0.46 -0.68 113.70 116.83 2kts s SER 32 Ca 0.08 -1.38 0.03 0.00 0.48 0.00 0.00 55.95 55.16 2kts s SER 32 Cb 0.07 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 2kts s SER 32 CO -0.09 -1.30 -0.09 -0.36 0.98 0.00 0.00 173.24 172.39 2kts s PHE 33 N -3.16 0.79 0.19 5.02 0.40 -1.23 -1.13 117.98 118.86 2kts s PHE 33 Ca 0.28 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 2kts s PHE 33 Cb -0.01 -0.46 0.04 0.00 0.51 0.00 0.00 43.02 43.10 2kts s PHE 33 CO 0.18 -0.04 0.56 0.41 0.70 0.00 0.00 175.22 177.03 2kts n GLY 34 N 1.59 1.14 7.00 4.36 0.00 -1.26 -3.43 105.19 114.60 2kts n GLY 34 Ca -0.21 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.39 0.00 -0.55 1.61 1.02 -1.26 -1.30 120.64 119.77 2kts n GLU 35 Ca -0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 2kts n GLU 35 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.75 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 -0.22 1.42 -3.11 3.49 4.76 -1.26 -4.42 118.16 118.82 2kts n LYS 36 Ca 0.00 -0.97 -0.10 0.00 -2.87 0.00 0.00 58.31 54.37 2kts n LYS 36 Cb 0.00 -2.13 0.01 0.00 -1.84 0.00 0.00 35.03 31.07 2kts n LYS 36 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kts n MET 37 N 3.74 -1.62 0.00 1.97 2.81 -1.22 -4.61 117.12 118.18 2kts n MET 37 Ca 0.30 1.53 0.00 0.00 -1.81 0.00 0.00 57.70 57.73 2kts n MET 37 Cb 0.23 -2.76 0.00 0.00 -0.71 0.00 0.00 33.22 29.98 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 0.66 0.59 -1.52 0.03 2.81 -0.42 -0.85 117.12 118.41 2kts n MET 38 Ca -0.01 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.08 2kts n MET 38 Cb 0.42 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 2kts n MET 38 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2kts n ILE 39 N -0.18 -2.04 -3.55 2.02 5.41 -1.20 -1.28 119.36 118.55 2kts n ILE 39 Ca 0.00 0.94 -0.28 0.00 1.00 0.00 0.00 62.75 64.41 2kts n ILE 39 Cb 0.15 -1.24 -0.15 0.00 -0.71 0.00 0.00 39.64 37.69 2kts n ILE 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2kts s SER 40 N -2.00 3.26 0.28 4.38 0.01 -0.28 -3.96 113.70 115.38 2kts s SER 40 Ca 0.00 -1.14 -0.03 0.00 1.31 0.00 0.00 55.95 56.09 2kts s SER 40 Cb 0.00 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 2kts s SER 40 CO 0.00 -0.42 0.34 -0.83 0.41 0.00 0.00 173.24 172.74 2kts s GLY 41 N 2.12 1.40 -0.42 3.44 0.00 -1.02 -0.40 107.32 112.44 2kts s GLY 41 Ca 0.08 -1.52 0.05 0.00 0.00 0.00 0.00 44.72 43.32 2kts s GLY 41 CO -0.31 -1.11 0.47 -1.35 0.00 0.00 0.00 173.10 170.79 2kts s SER 42 N -3.19 0.41 0.15 1.64 1.04 -0.79 -1.35 113.70 111.62 2kts s SER 42 Ca 0.33 -1.92 -0.17 0.00 0.48 0.00 0.00 55.95 54.68 2kts s SER 42 Cb 0.02 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.89 2kts s SER 42 CO 0.17 -0.18 1.80 0.24 0.98 0.00 0.00 173.24 176.24 2kts h MET 43 N 6.24 0.45 0.00 4.02 2.86 -1.84 -3.34 114.93 123.32 2kts h MET 43 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2kts h MET 43 Cb 1.04 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2kts h MET 43 CO 0.19 0.30 0.00 0.00 1.06 0.00 0.00 176.91 178.46 2kts n ASN 45 N -2.81 2.86 -1.06 0.00 4.13 -1.26 -4.95 115.26 112.16 2kts n ASN 45 Ca 0.00 -2.40 0.10 0.00 1.68 0.00 0.00 54.58 53.97 2kts n ASN 45 Cb 0.00 -0.58 -0.05 0.00 -1.54 0.00 0.00 39.78 37.61 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 0.15 -1.94 -3.59 3.52 5.12 -1.26 -0.86 116.66 117.80 2kts n ARG 46 Ca 0.13 1.56 -0.08 0.00 -1.93 0.00 0.00 57.85 57.53 2kts n ARG 46 Cb 0.68 -2.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.47 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 -4.31 -0.33 0.22 -1.55 -0.12 -0.46 -3.86 117.98 107.57 2kts s PHE 47 Ca 0.00 0.09 -0.21 0.00 -0.05 0.00 0.00 56.93 56.76 2kts s PHE 47 Cb 0.00 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.02 2kts s PHE 47 CO 0.00 -0.81 0.63 -1.12 -0.05 0.00 0.00 175.22 173.87 2kts s SER 48 N -2.73 -0.35 -0.12 1.98 0.01 -0.67 -2.43 113.70 109.39 2kts s SER 48 Ca 0.06 -0.40 -0.33 0.00 1.31 0.00 0.00 55.95 56.59 2kts s SER 48 Cb -0.02 0.65 0.14 0.00 0.21 0.00 0.00 66.02 67.01 2kts s SER 48 CO -0.05 -1.16 1.39 -0.83 0.41 0.00 0.00 173.24 173.00 2kts s GLY 49 N -2.86 -0.42 -0.56 3.44 0.00 -0.40 -2.07 107.32 104.45 2kts s GLY 49 Ca 0.08 1.11 -0.26 0.00 0.00 0.00 0.00 44.72 45.65 2kts s GLY 49 CO -0.01 0.27 2.33 -0.54 0.00 0.00 0.00 173.10 175.14 2kts s GLU 50 N -2.13 2.11 0.01 2.90 2.02 -1.26 -3.24 118.70 119.11 2kts s GLU 50 Ca 0.14 1.14 -0.08 0.00 0.02 0.00 0.00 54.97 56.19 2kts s GLU 50 Cb 0.05 -4.60 -0.04 0.00 0.10 0.00 0.00 34.13 29.64 2kts s GLU 50 CO -0.05 -3.37 1.11 0.78 0.02 0.00 0.00 175.26 173.75 2kts h GLY 51 N 19.56 -0.30 -2.75 -1.39 0.00 -1.15 -3.34 103.07 113.71 2kts h GLY 51 Ca -0.20 0.11 0.29 0.00 0.00 0.00 0.00 47.33 47.52 2kts h GLY 51 CO 1.15 -0.11 -0.90 1.17 0.00 0.00 0.00 176.54 177.85 2kts n LYS 52 N -2.77 -2.60 -3.19 4.80 3.00 -1.25 -3.45 118.16 112.71 2kts n LYS 52 Ca -0.04 2.06 0.04 0.00 -0.00 0.00 0.00 58.31 60.37 2kts n LYS 52 Cb 0.11 -3.06 -0.02 0.00 0.00 0.00 0.00 35.03 32.06 2kts n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2kts s LEU 53 N -6.69 -1.05 0.00 3.14 2.96 -1.26 -4.79 118.68 110.99 2kts s LEU 53 Ca 0.00 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 2kts s LEU 53 Cb 0.00 1.91 0.00 0.00 0.50 0.00 0.00 46.19 48.60 2kts s LEU 53 CO 0.00 -0.20 0.00 -0.24 -1.32 0.00 0.00 176.35 174.59 2kts n SER 54 N 5.42 0.00 -2.69 3.68 2.88 -1.26 -4.78 113.62 116.86 2kts n SER 54 Ca -0.04 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.45 2kts n SER 54 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.00 -1.28 0.00 -3.46 5.15 -1.26 -5.01 115.26 109.40 2kts n ASN 55 Ca 0.00 -2.40 0.00 0.00 -0.60 0.00 0.00 54.58 51.58 2kts n ASN 55 Cb 0.00 0.70 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 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 -0.80 0.23 2.78 8.20 0.00 -1.26 -4.91 105.19 109.43 2kts n GLY 56 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.06 0.88 -0.56 1.61 2.12 -1.26 -1.76 118.70 118.68 2kts s GLU 57 Ca 0.00 -0.52 -0.22 0.00 0.36 0.00 0.00 54.97 54.59 2kts s GLU 57 Cb 0.00 -2.16 0.05 0.00 0.26 0.00 0.00 34.13 32.28 2kts s GLU 57 CO 0.00 -0.61 0.83 -1.17 -0.54 0.00 0.00 175.26 173.77 2kts s LEU 58 N 1.76 4.50 0.56 2.70 2.96 0.33 -4.75 118.68 126.75 2kts s LEU 58 Ca -0.02 -0.70 -0.00 0.00 -0.22 0.00 0.00 54.13 53.19 2kts s LEU 58 Cb -0.17 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 43.94 2kts s LEU 58 CO -0.07 -1.14 0.80 0.42 -1.32 0.00 0.00 176.35 175.03 2kts s THR 59 N 3.46 2.85 -0.07 3.68 -4.23 -1.22 -1.07 115.64 119.04 2kts s THR 59 Ca 0.23 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.23 2kts s THR 59 Cb -0.16 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2kts s THR 59 CO 0.15 -0.07 -0.20 0.00 -0.54 0.00 0.00 174.62 173.96 2kts s ALA 60 N -2.82 1.80 -1.22 3.99 0.00 -0.35 -4.09 121.76 119.07 2kts s ALA 60 Ca 0.56 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2kts s ALA 60 Cb -0.10 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.41 2kts s ALA 60 CO 0.40 0.25 1.68 0.21 0.00 0.00 0.00 175.76 178.30 2kts s LYS 61 N 0.31 3.82 0.00 0.00 2.20 -1.25 -4.41 119.74 120.42 2kts s LYS 61 Ca -0.13 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 53.74 2kts s LYS 61 Cb -0.16 -5.48 0.00 0.00 -1.51 0.00 0.00 37.83 30.68 2kts s LYS 61 CO 0.06 -2.32 0.00 0.41 -0.36 0.00 0.00 175.35 173.14 2kts n GLY 62 N 5.80 3.03 2.15 5.54 0.00 -1.26 -4.72 105.19 115.73 2kts n GLY 62 Ca 0.45 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.42 -4.79 0.99 7.94 -1.26 -5.03 117.00 109.43 2kts n LEU 63 Ca 0.00 2.04 -0.36 0.00 -1.11 0.00 0.00 56.01 56.58 2kts n LEU 63 Cb 0.00 -2.74 -0.05 0.00 0.53 0.00 0.00 43.42 41.16 2kts n LEU 63 CO 0.00 -2.57 0.69 0.00 -1.11 0.00 0.00 177.39 174.40 2kts s ALA 64 N -0.48 3.11 0.00 1.96 0.00 -0.88 -4.92 121.76 120.55 2kts s ALA 64 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2kts s ALA 64 Cb 0.01 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2kts s ALA 64 CO 0.23 -0.02 0.00 -1.33 0.00 0.00 0.00 175.76 174.63 2kts n MET 65 N 0.02 0.00 -1.18 0.00 0.00 -1.26 -1.66 117.12 113.04 2kts n MET 65 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 2kts n MET 65 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.73 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 0.00 0.00 -3.40 2.03 -2.24 -0.04 -4.91 114.28 105.72 2kts n THR 66 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2kts n THR 66 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.00 0.64 -4.37 -0.78 -4.01 -1.26 -4.92 116.66 101.96 2kts n ARG 67 Ca 0.00 -3.42 -0.21 0.00 -1.04 0.00 0.00 57.85 53.18 2kts n ARG 67 Cb 0.00 -1.66 -0.10 0.00 -3.04 0.00 0.00 32.46 27.66 2kts n ARG 67 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kts s MET 68 N -0.58 1.39 0.76 2.89 0.23 -1.26 -5.15 119.30 117.58 2kts s MET 68 Ca 0.33 -1.56 -0.11 0.00 -1.03 0.00 0.00 55.69 53.31 2kts s MET 68 Cb 0.07 -1.35 0.05 0.00 -1.53 0.00 0.00 34.83 32.07 2kts s MET 68 CO -0.16 0.25 1.08 -1.64 -2.03 0.00 0.00 175.02 172.52 2kts s MET 69 N -3.31 2.38 0.51 3.16 -1.94 -1.26 -4.82 119.30 114.03 2kts s MET 69 Ca 0.22 0.84 0.00 0.00 -1.71 0.00 0.00 55.69 55.04 2kts s MET 69 Cb -0.03 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.87 2kts s MET 69 CO 0.08 -1.46 0.04 0.00 -0.01 0.00 0.00 175.02 173.67 2kts h ALA 71 N 1.20 0.60 -3.46 0.00 0.00 -1.99 -3.48 119.26 112.14 2kts h ALA 71 Ca -0.41 -0.70 -0.67 0.00 0.00 0.00 0.00 54.91 53.13 2kts h ALA 71 Cb 1.27 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.87 2kts h ALA 71 CO 0.68 0.89 -0.84 -0.80 0.00 0.00 0.00 179.25 179.18 2kts s ASN 72 N -6.35 3.40 0.03 0.00 0.01 -1.26 -5.06 114.94 105.71 2kts s ASN 72 Ca 0.01 -0.82 -0.20 0.00 -0.71 0.00 0.00 52.86 51.14 2kts s ASN 72 Cb 0.08 -0.24 -0.15 0.00 0.41 0.00 0.00 41.25 41.35 2kts s ASN 72 CO 0.78 0.14 1.32 1.55 -1.51 0.00 0.00 177.10 179.38 2kts h PRO 73 N 3.45 0.35 -0.94 -0.60 0.13 -2.01 -3.30 132.00 129.07 2kts h PRO 73 Ca -0.48 -0.20 0.22 0.00 -0.87 0.00 0.00 66.00 64.67 2kts h PRO 73 Cb 1.19 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2kts h PRO 73 CO 0.45 0.77 0.62 0.37 -0.23 0.00 0.00 178.00 179.97 2kts h GLN 74 N -0.04 0.40 -0.54 0.86 4.15 -1.99 -0.14 115.11 117.82 2kts h GLN 74 Ca 0.02 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 2kts h GLN 74 Cb 0.72 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 2kts h GLN 74 CO 0.04 0.27 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.09 2kts h LEU 75 N 0.41 0.95 -0.14 -2.39 3.38 -1.84 -0.06 115.31 115.62 2kts h LEU 75 Ca 0.50 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2kts h LEU 75 Cb 1.25 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kts h LEU 75 CO -0.20 1.03 -0.04 0.78 0.09 0.00 0.00 178.44 180.09 2kts h ASN 76 N 0.87 0.00 -0.49 -0.43 2.35 -1.20 -2.27 115.58 114.42 2kts h ASN 76 Ca 0.15 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 2kts h ASN 76 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2kts h ASN 76 CO 0.03 0.04 0.01 -0.33 -1.65 0.00 0.00 177.43 175.54 2kts h GLU 77 N 0.00 0.91 0.00 0.81 4.39 -0.87 -3.27 114.58 116.56 2kts h GLU 77 Ca -0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kts h GLU 77 Cb 0.99 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2kts h GLU 77 CO 0.01 0.90 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.65 2kts h LEU 78 N 0.85 0.00 -0.41 1.33 3.38 -0.56 -2.64 115.31 117.27 2kts h LEU 78 Ca 0.16 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2kts h LEU 78 Cb 0.48 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 2kts h LEU 78 CO 0.02 0.00 -0.46 -0.78 0.09 0.00 0.00 178.44 177.31 2kts h ASP 79 N 0.00 -1.53 0.17 -0.43 1.82 -1.47 -1.37 116.42 113.61 2kts h ASP 79 Ca 0.00 0.22 -0.21 0.00 -0.39 0.00 0.00 57.03 56.65 2kts h ASP 79 Cb 0.88 0.66 0.00 0.00 0.68 0.00 0.00 39.33 41.55 2kts h ASP 79 CO 0.00 -0.38 -0.84 0.78 -1.61 0.00 0.00 179.24 177.19 2kts h ASN 80 N -0.35 0.64 -0.20 2.28 2.35 -1.66 -1.87 115.58 116.78 2kts h ASN 80 Ca 0.12 -0.46 0.05 0.00 -0.55 0.00 0.00 56.30 55.46 2kts h ASN 80 Cb 0.59 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 2kts h ASN 80 CO -0.58 1.24 -0.11 0.74 -1.65 0.00 0.00 177.43 177.06 2kts h THR 81 N 0.33 0.65 -0.04 2.81 2.02 -1.31 -0.09 112.91 117.28 2kts h THR 81 Ca -0.06 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.95 2kts h THR 81 Cb 1.45 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2kts h THR 81 CO 0.15 0.00 -0.74 -0.29 0.37 0.00 0.00 175.52 175.02 2kts h ILE 82 N -0.10 1.43 0.22 3.11 6.09 -1.17 -2.80 117.51 124.29 2kts h ILE 82 Ca 0.11 -2.26 -0.00 0.00 -1.37 0.00 0.00 64.86 61.34 2kts h ILE 82 Cb 0.27 2.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.75 2kts h ILE 82 CO -0.26 0.67 -0.17 0.28 -3.07 0.00 0.00 178.15 175.59 2kts h SER 83 N 0.17 -0.45 0.24 2.19 0.02 -0.84 -2.36 113.55 112.52 2kts h SER 83 Ca -0.03 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2kts h SER 83 Cb 1.30 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2kts h SER 83 CO 0.12 -0.27 0.00 1.21 -1.14 0.00 0.00 176.83 176.75 2kts n GLU 84 N -5.30 0.54 0.00 3.45 4.07 -0.09 -2.36 120.64 120.95 2kts n GLU 84 Ca -0.08 0.03 0.07 0.00 -0.06 0.00 0.00 57.16 57.12 2kts n GLU 84 Cb 0.21 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.08 2kts n GLU 84 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2kts n MET 85 N -1.15 1.87 -0.03 5.31 2.81 -1.02 -4.52 117.12 120.40 2kts n MET 85 Ca 0.15 -0.68 0.04 0.00 -1.81 0.00 0.00 57.70 55.40 2kts n MET 85 Cb 0.14 -1.21 -0.12 0.00 -0.71 0.00 0.00 33.22 31.32 2kts n MET 85 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2kts n LEU 86 N -0.27 0.00 -0.09 4.03 7.99 -0.92 -2.75 117.00 125.00 2kts n LEU 86 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.93 2kts n LEU 86 Cb 0.29 0.10 -0.05 0.00 -0.11 0.00 0.00 43.42 43.66 2kts n LEU 86 CO 0.18 0.10 0.66 0.50 -1.51 0.00 0.00 177.39 177.33 2kts h LYS 87 N 0.00 0.54 0.00 3.23 3.64 -1.73 -0.86 116.57 121.39 2kts h LYS 87 Ca -0.11 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2kts h LYS 87 Cb 1.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2kts h LYS 87 CO 0.01 0.80 -0.17 0.39 -2.27 0.00 0.00 179.45 178.20 2kts n GLU 88 N -4.46 0.26 -0.09 1.90 1.02 -1.26 -4.73 120.64 113.27 2kts n GLU 88 Ca -0.04 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2kts n GLU 88 Cb 0.35 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.32 0.26 3.75 0.62 0.00 -1.08 -5.00 105.19 105.06 2kts n GLY 89 Ca 0.05 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 3.41 0.14 4.61 0.00 -0.23 -4.83 121.76 124.86 2kts s ALA 90 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 2kts s ALA 90 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2kts s ALA 90 CO 0.00 -0.22 1.57 -0.65 0.00 0.00 0.00 175.76 176.46 2kts s GLN 91 N -0.97 4.22 -0.26 0.00 1.11 0.14 -0.51 119.66 123.39 2kts s GLN 91 Ca 0.47 2.33 0.01 0.00 0.01 0.00 0.00 55.36 58.18 2kts s GLN 91 Cb -0.32 -3.25 0.07 0.00 -1.01 0.00 0.00 33.01 28.51 2kts s GLN 91 CO 0.39 -0.62 -0.03 0.54 0.01 0.00 0.00 175.29 175.59 2kts s VAL 92 N 1.43 1.57 -0.65 1.09 0.11 -0.72 -2.10 120.40 121.12 2kts s VAL 92 Ca 0.70 -1.39 0.05 0.00 -2.93 0.00 0.00 61.98 58.41 2kts s VAL 92 Cb -0.42 -1.90 0.16 0.00 -1.53 0.00 0.00 36.38 32.69 2kts s VAL 92 CO 0.31 -0.22 0.45 -1.81 -3.33 0.00 0.00 175.10 170.49 2kts s ASP 93 N 1.35 4.42 -0.75 3.54 1.01 -0.22 -4.66 116.67 121.36 2kts s ASP 93 Ca -0.02 -3.65 -0.25 0.00 0.71 0.00 0.00 52.55 49.34 2kts s ASP 93 Cb -0.19 -1.51 0.05 0.00 1.01 0.00 0.00 42.92 42.28 2kts s ASP 93 CO -0.08 -0.11 1.19 -0.22 0.21 0.00 0.00 175.17 176.16 2kts s LEU 94 N -1.13 3.66 0.77 1.23 1.98 -1.26 -0.37 118.68 123.55 2kts s LEU 94 Ca 0.24 -0.79 -0.09 0.00 -2.89 0.00 0.00 54.13 50.60 2kts s LEU 94 Cb -0.07 -2.51 0.08 0.00 0.66 0.00 0.00 46.19 44.35 2kts s LEU 94 CO -0.14 -1.65 1.10 -0.89 -1.89 0.00 0.00 176.35 172.88 2kts s THR 95 N 5.01 2.14 0.50 3.68 2.01 -0.45 -4.10 115.64 124.43 2kts s THR 95 Ca 0.32 -0.15 0.35 0.00 0.31 0.00 0.00 61.69 62.52 2kts s THR 95 Cb -0.10 -2.99 0.55 0.00 0.01 0.00 0.00 72.50 69.98 2kts s THR 95 CO 0.10 0.00 1.70 0.00 -0.69 0.00 0.00 174.62 175.73 2kts h ALA 96 N -0.86 3.05 0.00 7.40 0.00 -1.99 -2.07 119.26 124.79 2kts h ALA 96 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kts h ALA 96 Cb 1.31 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2kts h ALA 96 CO 0.60 -1.53 0.00 0.09 0.00 0.00 0.00 179.25 178.41 2kts n ASN 97 N -4.33 0.00 -3.75 0.00 3.02 -1.26 -5.03 115.26 103.91 2kts n ASN 97 Ca 0.33 -1.00 -0.14 0.00 -0.03 0.00 0.00 54.58 53.74 2kts n ASN 97 Cb 1.41 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 40.44 2kts n ASN 97 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2kts s GLN 98 N 0.00 0.09 -0.21 3.52 0.74 -0.78 -0.89 119.66 122.12 2kts s GLN 98 Ca 0.00 0.38 -0.19 0.00 0.05 0.00 0.00 55.36 55.60 2kts s GLN 98 Cb 0.00 -0.18 -0.03 0.00 1.10 0.00 0.00 33.01 33.90 2kts s GLN 98 CO 0.00 -0.17 0.54 -1.17 -0.55 0.00 0.00 175.29 173.94 2kts s LEU 99 N 1.20 4.12 -0.33 3.68 0.20 -0.09 -1.33 118.68 126.13 2kts s LEU 99 Ca -0.09 0.67 -0.14 0.00 0.69 0.00 0.00 54.13 55.27 2kts s LEU 99 Cb -0.12 -2.73 -0.02 0.00 -0.43 0.00 0.00 46.19 42.89 2kts s LEU 99 CO -0.06 -0.22 0.28 -0.89 -0.29 0.00 0.00 176.35 175.17 2kts s THR 100 N 1.84 5.24 -0.18 3.68 2.01 0.50 -1.91 115.64 126.82 2kts s THR 100 Ca 0.24 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 2kts s THR 100 Cb -0.15 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kts s THR 100 CO 0.10 -0.01 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.20 2kts s LEU 101 N 1.84 3.05 0.04 4.42 2.01 -1.08 -1.05 118.68 127.91 2kts s LEU 101 Ca 0.08 -0.25 0.01 0.00 0.01 0.00 0.00 54.13 53.98 2kts s LEU 101 Cb -0.17 -1.75 -0.03 0.00 0.01 0.00 0.00 46.19 44.26 2kts s LEU 101 CO 0.11 0.10 -0.05 0.00 1.01 0.00 0.00 176.35 177.51 2kts s ALA 102 N 0.79 0.47 0.32 4.21 0.00 -0.89 -0.33 121.76 126.32 2kts s ALA 102 Ca -0.02 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 2kts s ALA 102 Cb -0.15 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2kts s ALA 102 CO 0.02 -0.16 0.77 0.99 0.00 0.00 0.00 175.76 177.38 2kts s THR 103 N -2.18 0.00 0.42 0.00 2.01 -0.63 -0.68 115.64 114.58 2kts s THR 103 Ca -0.06 -0.97 0.17 0.00 0.31 0.00 0.00 61.69 61.13 2kts s THR 103 Cb -0.05 -2.41 0.37 0.00 0.01 0.00 0.00 72.50 70.42 2kts s THR 103 CO -0.03 0.00 1.89 0.00 -0.69 0.00 0.00 174.62 175.79 2kts h ALA 104 N 2.00 2.16 -3.00 7.40 0.00 -1.92 -3.08 119.26 122.82 2kts h ALA 104 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kts h ALA 104 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kts h ALA 104 CO 0.31 -0.41 0.00 1.63 0.00 0.00 0.00 179.25 180.78 2kts n LYS 105 N -4.49 0.00 -2.18 0.00 4.76 -1.26 -5.06 118.16 109.92 2kts n LYS 105 Ca 0.17 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.57 2kts n LYS 105 Cb 0.62 -0.90 -0.01 0.00 -1.84 0.00 0.00 35.03 32.90 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 -0.47 0.22 -3.85 1.97 3.00 -1.17 -5.19 117.38 111.89 2kts n GLN 106 Ca 0.00 -0.77 -0.12 0.00 -0.01 0.00 0.00 57.00 56.11 2kts n GLN 106 Cb 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 30.24 30.90 2kts n GLN 106 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2kts s THR 107 N -2.57 0.05 0.15 5.09 -1.32 -1.26 -1.60 115.64 114.17 2kts s THR 107 Ca 0.08 -0.41 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 2kts s THR 107 Cb -0.00 -0.34 -0.04 0.00 -1.51 0.00 0.00 72.50 70.60 2kts s THR 107 CO 0.06 -0.23 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.44 2kts s LEU 108 N -0.78 2.33 -0.20 9.08 1.02 0.55 -1.93 118.68 128.76 2kts s LEU 108 Ca -0.09 -1.09 -0.02 0.00 0.02 0.00 0.00 54.13 52.95 2kts s LEU 108 Cb -0.05 -0.12 0.06 0.00 0.02 0.00 0.00 46.19 46.10 2kts s LEU 108 CO 0.01 -0.49 0.03 -0.89 0.02 0.00 0.00 176.35 175.03 2kts s THR 109 N -3.57 0.62 0.29 5.49 2.01 -0.85 -2.64 115.64 116.98 2kts s THR 109 Ca 0.19 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.62 2kts s THR 109 Cb 0.05 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2kts s THR 109 CO 0.01 -0.19 0.42 -0.31 -0.69 0.00 0.00 174.62 173.86 2kts s TYR 110 N 1.81 3.37 -0.06 4.92 2.02 -0.80 -1.05 117.35 127.56 2kts s TYR 110 Ca -0.01 -0.00 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2kts s TYR 110 Cb -0.17 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2kts s TYR 110 CO -0.08 0.26 -0.21 0.21 -1.57 0.00 0.00 175.55 174.16 2kts s LYS 111 N -4.10 2.31 -0.42 -0.62 2.36 -0.60 -0.91 119.74 117.76 2kts s LYS 111 Ca 0.38 -0.74 -0.27 0.00 -2.55 0.00 0.00 55.97 52.79 2kts s LYS 111 Cb -0.09 -1.90 -0.07 0.00 -1.05 0.00 0.00 37.83 34.72 2kts s LYS 111 CO 0.31 0.24 2.36 -0.11 1.55 0.00 0.00 175.35 179.70 2kts n LEU 112 N 3.26 2.51 -3.12 5.43 7.94 -0.07 -2.42 117.00 130.53 2kts n LEU 112 Ca -0.19 -0.24 -0.19 0.00 -1.11 0.00 0.00 56.01 54.29 2kts n LEU 112 Cb 0.52 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 42.88 2kts n LEU 112 CO 0.26 -1.25 -0.15 0.00 -1.11 0.00 0.00 177.39 175.14 2kts n ALA 113 N 14.24 1.12 -2.57 1.96 0.00 -0.71 -4.96 120.51 129.59 2kts n ALA 113 Ca 0.36 -2.45 -0.38 0.00 0.00 0.00 0.00 53.44 50.97 2kts n ALA 113 Cb 0.48 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.94 2kts n ALA 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kts n ASP 114 N 2.47 6.90 0.00 0.00 5.68 -1.26 -4.60 116.55 125.74 2kts n ASP 114 Ca 0.23 -3.71 0.02 0.00 -0.50 0.00 0.00 54.79 50.83 2kts n ASP 114 Cb 0.53 -1.05 0.13 0.00 -1.14 0.00 0.00 41.12 39.59 2kts n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kts n LEU 115 N -0.17 0.00 -3.61 -2.12 -0.00 -1.26 -4.46 117.00 105.38 2kts n LEU 115 Ca 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.35 2kts n LEU 115 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.64 2kts n LEU 115 CO 0.49 0.00 0.67 -0.32 -0.00 0.00 0.00 177.39 178.22 2kts s MET 116 N -2.00 0.64 0.00 1.47 0.00 -1.26 -5.25 119.30 112.90 2kts s MET 116 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 55.69 56.26 2kts s MET 116 Cb 0.03 0.31 0.00 0.00 0.00 0.00 0.00 34.83 35.17 2kts s MET 116 CO 0.05 -0.13 0.43 0.09 0.00 0.00 0.00 175.02 175.46