#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kts s VAL 2 N 0.00 2.96 0.18 1.12 0.11 -1.26 -5.01 120.40 118.51 2kts s VAL 2 Ca 0.00 0.31 0.09 0.00 -2.93 0.00 0.00 61.98 59.45 2kts s VAL 2 Cb 0.00 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2kts s VAL 2 CO 0.00 -0.41 -0.18 0.42 -3.33 0.00 0.00 175.10 171.60 2kts s THR 3 N -2.84 1.89 0.22 5.04 -4.23 -1.26 -4.95 115.64 109.50 2kts s THR 3 Ca 0.63 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 2kts s THR 3 Cb -0.19 -1.94 -0.07 0.00 1.34 0.00 0.00 72.50 71.65 2kts s THR 3 CO 0.57 -0.37 1.52 1.55 -0.54 0.00 0.00 174.62 177.34 2kts h PRO 4 N 3.03 0.26 -0.89 3.99 0.13 -1.99 -2.52 132.00 134.01 2kts h PRO 4 Ca -0.41 -0.20 0.24 0.00 -0.87 0.00 0.00 66.00 64.76 2kts h PRO 4 Cb 1.21 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 2kts h PRO 4 CO 0.54 0.83 0.19 1.49 -0.23 0.00 0.00 178.00 180.82 2kts h GLU 5 N 0.19 0.15 0.00 0.86 4.81 -1.99 0.67 114.58 119.27 2kts h GLU 5 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kts h GLU 5 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2kts h GLU 5 CO 0.10 0.10 0.00 1.04 -0.73 0.00 0.00 179.01 179.52 2kts n GLN 6 N -5.28 0.52 0.00 1.92 6.02 -0.95 -3.48 117.38 116.12 2kts n GLN 6 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2kts n GLN 6 Cb 0.70 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.76 0.22 0.00 1.08 4.77 0.09 -4.64 117.00 117.76 2kts n LEU 7 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2kts n LEU 7 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kts n LEU 7 CO 0.05 -0.09 0.30 0.00 -1.33 0.00 0.00 177.39 176.32 2kts n GLN 8 N -2.79 0.00 0.00 3.23 6.02 -0.38 -1.00 117.38 122.47 2kts n GLN 8 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2kts n GLN 8 Cb 0.36 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.09 0.00 -4.08 1.08 8.25 -1.25 -3.93 115.22 114.20 2kts n HIS 9 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2kts n HIS 9 Cb 0.01 0.01 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 2kts n HIS 9 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kts s HIS 10 N 0.00 2.42 0.41 4.41 3.76 -0.17 -5.04 115.29 121.09 2kts s HIS 10 Ca 0.00 -1.39 -0.18 0.00 -0.15 0.00 0.00 55.06 53.33 2kts s HIS 10 Cb 0.00 -1.73 -0.10 0.00 1.11 0.00 0.00 32.58 31.86 2kts s HIS 10 CO 0.00 -0.72 0.89 0.50 -0.85 0.00 0.00 174.74 174.56 2kts s ARG 11 N 1.39 4.11 0.06 1.40 3.52 -1.26 -4.38 118.95 123.79 2kts s ARG 11 Ca 0.05 0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 56.60 2kts s ARG 11 Cb -0.13 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 2kts s ARG 11 CO -0.11 -0.01 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.26 2kts s PHE 12 N -2.20 0.58 -0.00 5.12 0.40 -0.25 -2.41 117.98 119.22 2kts s PHE 12 Ca 0.59 -0.99 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 2kts s PHE 12 Cb -0.09 -0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.03 2kts s PHE 12 CO 0.17 -0.32 -0.05 0.14 0.70 0.00 0.00 175.22 175.87 2kts s VAL 13 N -3.63 0.41 -1.27 -0.44 -7.23 -1.13 -0.16 120.40 106.94 2kts s VAL 13 Ca 0.06 -0.23 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 2kts s VAL 13 Cb 0.06 -0.35 0.02 0.00 0.56 0.00 0.00 36.38 36.67 2kts s VAL 13 CO -0.08 0.11 1.87 -0.11 -0.31 0.00 0.00 175.10 176.58 2kts n LEU 14 N 2.94 4.84 -0.25 1.32 7.94 -0.66 -2.10 117.00 131.03 2kts n LEU 14 Ca -0.13 -3.75 -0.07 0.00 -1.11 0.00 0.00 56.01 50.95 2kts n LEU 14 Cb 0.58 -1.70 0.04 0.00 0.53 0.00 0.00 43.42 42.88 2kts n LEU 14 CO 0.25 -0.11 0.99 -0.08 -1.11 0.00 0.00 177.39 177.33 2kts h GLU 15 N 7.74 1.06 -2.50 1.96 4.57 -1.82 -3.37 114.58 122.22 2kts h GLU 15 Ca 0.42 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2kts h GLU 15 Cb 0.83 -0.16 -0.20 0.00 -0.16 0.00 0.00 28.75 29.06 2kts h GLU 15 CO 1.51 0.91 -0.05 -1.54 -1.18 0.00 0.00 179.01 178.66 2kts s SER 16 N -6.30 -0.46 0.44 1.04 1.04 -0.89 -4.33 113.70 104.25 2kts s SER 16 Ca -0.12 0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.90 2kts s SER 16 Cb 0.14 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.86 2kts s SER 16 CO 0.83 -0.44 0.63 -0.69 0.98 0.00 0.00 173.24 174.55 2kts s VAL 17 N -0.88 3.51 0.62 5.02 1.01 -0.62 -1.05 120.40 128.02 2kts s VAL 17 Ca -0.09 -0.74 0.22 0.00 0.00 0.00 0.00 61.98 61.37 2kts s VAL 17 Cb -0.03 -3.26 0.29 0.00 0.00 0.00 0.00 36.38 33.38 2kts s VAL 17 CO 0.06 -0.15 1.47 -1.13 0.00 0.00 0.00 175.10 175.34 2kts h ASN 18 N 0.47 0.00 0.00 3.32 -1.24 -1.79 -3.13 115.58 113.20 2kts h ASN 18 Ca -0.44 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.47 2kts h ASN 18 Cb 1.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 2kts h ASN 18 CO 0.53 0.00 -1.03 0.61 -1.29 0.00 0.00 177.43 176.25 2kts n GLY 19 N -1.55 -0.21 3.39 1.57 0.00 -1.26 -5.01 105.19 102.11 2kts n GLY 19 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.28 1.18 1.05 1.61 0.00 -1.18 -5.18 119.74 114.94 2kts s LYS 20 Ca -0.14 -0.79 -0.15 0.00 0.00 0.00 0.00 55.97 54.89 2kts s LYS 20 Cb 0.04 0.48 0.22 0.00 0.00 0.00 0.00 37.83 38.57 2kts s LYS 20 CO 0.18 -0.48 1.13 -1.25 0.00 0.00 0.00 175.35 174.94 2kts s PRO 21 N -3.84 -0.02 0.06 1.78 0.04 -1.26 -1.58 135.00 130.18 2kts s PRO 21 Ca 0.06 0.16 0.10 0.00 0.04 0.00 0.00 61.00 61.35 2kts s PRO 21 Cb 0.01 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2kts s PRO 21 CO -0.08 -2.95 -0.26 0.08 0.04 0.00 0.00 177.00 173.82 2kts s VAL 22 N -3.14 2.18 -0.13 -0.36 1.01 -1.26 -4.81 120.40 113.89 2kts s VAL 22 Ca 0.68 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2kts s VAL 22 Cb -0.13 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.44 2kts s VAL 22 CO 0.56 0.32 0.22 0.42 0.00 0.00 0.00 175.10 176.61 2kts s THR 23 N -0.85 -0.35 -0.36 3.92 -4.23 -1.26 -4.93 115.64 107.58 2kts s THR 23 Ca 0.12 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2kts s THR 23 Cb -0.10 -0.45 0.05 0.00 1.34 0.00 0.00 72.50 73.34 2kts s THR 23 CO 0.03 0.05 0.81 -1.54 -0.54 0.00 0.00 174.62 173.42 2kts n SER 24 N 5.34 1.70 0.00 3.99 3.41 -1.26 -5.02 113.62 121.78 2kts n SER 24 Ca -0.05 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2kts n SER 24 Cb 0.50 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2kts n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kts n ASP 25 N 0.03 0.00 -4.14 4.04 2.03 -1.26 -4.68 116.55 112.57 2kts n ASP 25 Ca 0.03 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.21 2kts n ASP 25 Cb 0.18 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.47 2kts n ASP 25 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kts s LYS 26 N 0.00 0.74 -0.86 -0.67 2.47 -1.26 -4.95 119.74 115.22 2kts s LYS 26 Ca 0.00 -1.10 -0.04 0.00 -1.56 0.00 0.00 55.97 53.26 2kts s LYS 26 Cb 0.00 -0.34 -0.00 0.00 -1.46 0.00 0.00 37.83 36.03 2kts s LYS 26 CO 0.00 0.03 0.67 0.09 0.16 0.00 0.00 175.35 176.31 2kts n ASN 27 N 0.61 -5.99 -4.73 1.43 3.02 -1.26 -4.95 115.26 103.38 2kts n ASN 27 Ca -0.17 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.39 2kts n ASN 27 Cb 0.58 -3.28 0.09 0.00 -0.61 0.00 0.00 39.78 36.55 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 -4.47 2.22 -1.13 3.52 0.04 -1.26 -4.87 135.00 129.05 2kts s PRO 28 Ca 0.09 1.62 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 2kts s PRO 28 Cb -0.03 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 2kts s PRO 28 CO 0.84 -1.74 1.94 -0.35 0.04 0.00 0.00 177.00 177.73 2kts n PRO 29 N -2.80 1.49 -4.07 0.56 -0.04 -1.26 -4.89 135.00 123.98 2kts n PRO 29 Ca 0.12 -2.35 -0.30 0.00 -0.04 0.00 0.00 63.50 60.93 2kts n PRO 29 Cb 0.51 -3.66 -0.07 0.00 -0.04 0.00 0.00 33.50 30.24 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 6.46 2.78 0.03 0.54 -1.05 -1.26 -1.66 118.70 124.53 2kts s GLU 30 Ca 0.68 -0.74 0.04 0.00 -0.15 0.00 0.00 54.97 54.80 2kts s GLU 30 Cb 0.01 -2.67 -0.02 0.00 -0.44 0.00 0.00 34.13 31.01 2kts s GLU 30 CO 0.14 0.56 -0.11 -1.50 0.95 0.00 0.00 175.26 175.30 2kts s ILE 31 N -1.37 0.88 0.14 1.83 2.07 0.77 -4.16 121.20 121.36 2kts s ILE 31 Ca 0.28 -0.82 -0.00 0.00 -1.41 0.00 0.00 60.65 58.70 2kts s ILE 31 Cb -0.12 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2kts s ILE 31 CO 0.21 -0.01 0.03 -0.94 -1.91 0.00 0.00 174.94 172.32 2kts s SER 32 N -0.94 0.59 0.26 4.50 1.04 -0.76 -1.08 113.70 117.30 2kts s SER 32 Ca 0.00 -1.18 0.07 0.00 0.48 0.00 0.00 55.95 55.32 2kts s SER 32 Cb -0.07 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 2kts s SER 32 CO 0.01 -0.67 -0.08 -0.36 0.98 0.00 0.00 173.24 173.11 2kts s PHE 33 N -3.93 1.91 0.07 5.02 0.40 -1.24 -2.08 117.98 118.13 2kts s PHE 33 Ca 0.23 -0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 2kts s PHE 33 Cb 0.07 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.56 2kts s PHE 33 CO 0.02 0.30 0.11 0.41 0.70 0.00 0.00 175.22 176.76 2kts n GLY 34 N -0.54 2.67 3.34 4.36 0.00 -0.75 -3.88 105.19 110.39 2kts n GLY 34 Ca -0.06 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.11 0.22 -2.13 1.61 0.00 -1.26 -1.19 120.64 117.78 2kts n GLU 35 Ca -0.00 0.09 -0.18 0.00 0.00 0.00 0.00 57.16 57.07 2kts n GLU 35 Cb 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 31.44 30.19 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2kts n LYS 36 N 0.78 -1.72 -2.30 5.31 4.76 -1.26 -2.45 118.16 121.28 2kts n LYS 36 Ca 0.09 0.93 -0.12 0.00 -2.87 0.00 0.00 58.31 56.34 2kts n LYS 36 Cb 0.48 -5.48 -0.01 0.00 -1.84 0.00 0.00 35.03 28.18 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 -2.70 -2.10 -1.72 1.97 2.81 -0.52 -4.27 117.12 110.58 2kts n MET 37 Ca -0.20 0.61 -0.41 0.00 -1.81 0.00 0.00 57.70 55.89 2kts n MET 37 Cb 0.64 -5.16 0.01 0.00 -0.71 0.00 0.00 33.22 28.00 2kts n MET 37 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 2kts n MET 38 N -2.67 2.16 -4.36 0.03 1.56 -0.33 -2.37 117.12 111.13 2kts n MET 38 Ca -0.14 0.76 -0.34 0.00 -0.27 0.00 0.00 57.70 57.71 2kts n MET 38 Cb 0.58 -2.47 -0.14 0.00 2.15 0.00 0.00 33.22 33.35 2kts n MET 38 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2kts s ILE 39 N -1.16 3.32 -0.02 1.12 1.01 0.15 -1.81 121.20 123.81 2kts s ILE 39 Ca 0.58 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.71 2kts s ILE 39 Cb -0.50 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.52 2kts s ILE 39 CO 0.60 0.48 -0.04 -0.44 0.00 0.00 0.00 174.94 175.54 2kts s SER 40 N 0.79 0.68 0.00 3.58 0.01 -0.88 -2.08 113.70 115.79 2kts s SER 40 Ca -0.03 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2kts s SER 40 Cb -0.15 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2kts s SER 40 CO 0.01 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2kts n GLY 41 N 3.42 -0.27 2.81 3.44 0.00 -1.24 -1.83 105.19 111.52 2kts n GLY 41 Ca -0.19 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 2kts n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kts s SER 42 N 0.00 0.99 0.15 1.61 0.15 -1.26 -2.05 113.70 113.29 2kts s SER 42 Ca 0.00 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.39 2kts s SER 42 Cb 0.00 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2kts s SER 42 CO 0.00 -0.32 1.73 0.24 1.20 0.00 0.00 173.24 176.09 2kts h MET 43 N 8.26 0.62 0.00 5.44 2.86 -1.91 -3.39 114.93 126.82 2kts h MET 43 Ca -0.18 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2kts h MET 43 Cb 1.15 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2kts h MET 43 CO 0.28 0.52 0.00 0.00 1.06 0.00 0.00 176.91 178.78 2kts n ASN 45 N -3.41 4.35 -1.48 0.00 3.02 -1.26 -4.91 115.26 111.57 2kts n ASN 45 Ca 0.00 -2.27 0.04 0.00 -0.03 0.00 0.00 54.58 52.32 2kts n ASN 45 Cb 0.00 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kts n ARG 46 N 1.24 -3.79 -3.88 3.52 5.12 -1.26 -1.33 116.66 116.28 2kts n ARG 46 Ca 0.24 2.97 -0.08 0.00 -1.93 0.00 0.00 57.85 59.06 2kts n ARG 46 Cb 0.77 -3.83 -0.02 0.00 -1.16 0.00 0.00 32.46 28.22 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 -5.12 -0.05 0.19 -1.55 -0.71 -0.87 -3.51 117.98 106.36 2kts s PHE 47 Ca 0.00 -0.41 -0.23 0.00 -1.04 0.00 0.00 56.93 55.25 2kts s PHE 47 Cb 0.00 0.62 0.06 0.00 -1.21 0.00 0.00 43.02 42.48 2kts s PHE 47 CO 0.00 -1.22 0.66 -1.12 -1.34 0.00 0.00 175.22 172.20 2kts s SER 48 N -2.95 -0.45 -0.02 1.98 0.01 -1.19 -3.59 113.70 107.48 2kts s SER 48 Ca 0.14 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 56.89 2kts s SER 48 Cb -0.05 0.62 0.12 0.00 0.21 0.00 0.00 66.02 66.93 2kts s SER 48 CO 0.08 -1.06 1.30 -0.83 0.41 0.00 0.00 173.24 173.14 2kts s GLY 49 N -2.79 -0.42 -0.36 3.44 0.00 -0.88 -2.11 107.32 104.19 2kts s GLY 49 Ca 0.05 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.19 2kts s GLY 49 CO -0.06 0.16 1.43 1.85 0.00 0.00 0.00 173.10 176.49 2kts s GLU 50 N -2.39 3.66 0.95 2.90 2.12 -1.22 -0.68 118.70 124.04 2kts s GLU 50 Ca 0.14 1.11 -0.14 0.00 0.36 0.00 0.00 54.97 56.45 2kts s GLU 50 Cb 0.05 -4.00 0.21 0.00 0.26 0.00 0.00 34.13 30.65 2kts s GLU 50 CO -0.04 -1.46 1.30 0.20 -0.54 0.00 0.00 175.26 174.72 2kts s GLY 51 N 3.85 1.81 0.04 -1.50 0.00 -1.00 -3.19 107.32 107.34 2kts s GLY 51 Ca 0.62 -1.43 -0.27 0.00 0.00 0.00 0.00 44.72 43.64 2kts s GLY 51 CO 0.30 -0.63 0.73 1.25 0.00 0.00 0.00 173.10 174.75 2kts s LYS 52 N -5.83 1.04 -0.19 2.90 2.20 -1.26 -4.48 119.74 114.12 2kts s LYS 52 Ca 0.75 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 2kts s LYS 52 Cb -0.02 0.48 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 2kts s LYS 52 CO 0.52 -0.42 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.81 2kts s LEU 53 N -2.18 2.24 0.11 5.43 1.98 -1.26 -4.36 118.68 120.64 2kts s LEU 53 Ca -0.01 -0.84 0.00 0.00 -2.89 0.00 0.00 54.13 50.39 2kts s LEU 53 Cb -0.01 -1.25 0.00 0.00 0.66 0.00 0.00 46.19 45.59 2kts s LEU 53 CO -0.05 -0.13 0.00 -0.24 -1.89 0.00 0.00 176.35 174.04 2kts n SER 54 N 4.68 0.06 -0.74 3.68 2.88 -1.26 -4.93 113.62 118.00 2kts n SER 54 Ca -0.15 0.18 0.07 0.00 -1.33 0.00 0.00 58.87 57.63 2kts n SER 54 Cb 0.47 0.10 0.19 0.00 -0.75 0.00 0.00 64.21 64.22 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 -3.00 3.26 0.00 -3.46 0.23 -1.26 -4.92 115.26 106.11 2kts n ASN 55 Ca 0.00 -2.31 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 2kts n ASN 55 Cb 0.07 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kts n GLY 56 N 0.22 0.75 3.18 4.83 0.00 -1.26 -5.02 105.19 107.89 2kts n GLY 56 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.56 2.43 -0.85 1.61 2.12 -1.26 -0.41 118.70 121.77 2kts s GLU 57 Ca 0.00 -1.29 -0.25 0.00 0.36 0.00 0.00 54.97 53.79 2kts s GLU 57 Cb 0.00 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.19 2kts s GLU 57 CO 0.00 -0.65 1.33 -1.17 -0.54 0.00 0.00 175.26 174.23 2kts s LEU 58 N 1.26 3.36 0.09 2.70 2.96 0.60 -4.62 118.68 125.03 2kts s LEU 58 Ca -0.04 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 52.92 2kts s LEU 58 Cb -0.20 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.88 2kts s LEU 58 CO -0.01 -1.69 0.37 0.42 -1.32 0.00 0.00 176.35 174.13 2kts s THR 59 N 5.34 5.15 1.04 3.68 -4.23 -1.26 -1.43 115.64 123.93 2kts s THR 59 Ca 0.39 0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 61.03 2kts s THR 59 Cb -0.05 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.38 2kts s THR 59 CO 0.05 0.20 1.09 0.00 -0.54 0.00 0.00 174.62 175.42 2kts s ALA 60 N -1.48 0.69 0.00 3.99 0.00 -0.41 -4.22 121.76 120.33 2kts s ALA 60 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2kts s ALA 60 Cb -0.13 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2kts s ALA 60 CO 0.20 -3.05 0.00 1.17 0.00 0.00 0.00 175.76 174.08 2kts n LYS 61 N -4.33 0.00 0.00 0.00 4.81 -1.19 -4.95 118.16 112.50 2kts n LYS 61 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2kts n LYS 61 Cb 0.57 -0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 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 0.00 -1.94 3.49 3.14 0.00 -1.26 -4.95 105.19 103.67 2kts n GLY 62 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 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 2.74 0.36 0.99 0.20 -1.26 -3.42 118.68 118.29 2kts s LEU 63 Ca 0.00 -0.43 0.08 0.00 0.69 0.00 0.00 54.13 54.47 2kts s LEU 63 Cb 0.00 -1.59 -0.07 0.00 -0.43 0.00 0.00 46.19 44.10 2kts s LEU 63 CO 0.00 0.23 -0.04 0.00 -0.29 0.00 0.00 176.35 176.24 2kts s ALA 64 N -1.03 2.96 0.32 5.97 0.00 -0.90 -4.98 121.76 124.11 2kts s ALA 64 Ca 0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 51.96 49.93 2kts s ALA 64 Cb -0.11 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2kts s ALA 64 CO 0.08 -0.03 0.49 -1.33 0.00 0.00 0.00 175.76 174.97 2kts n MET 65 N -0.84 0.71 -4.54 0.00 2.81 -1.26 -3.20 117.12 110.80 2kts n MET 65 Ca -0.05 -2.41 -0.27 0.00 -1.81 0.00 0.00 57.70 53.16 2kts n MET 65 Cb 0.65 2.43 -0.08 0.00 -0.71 0.00 0.00 33.22 35.52 2kts n MET 65 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2kts s THR 66 N -2.67 0.53 -0.58 2.03 -4.23 -0.44 -4.93 115.64 105.35 2kts s THR 66 Ca 0.24 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2kts s THR 66 Cb -0.02 -2.27 0.17 0.00 1.34 0.00 0.00 72.50 71.72 2kts s THR 66 CO 0.17 0.00 0.41 -0.13 -0.54 0.00 0.00 174.62 174.54 2kts s ARG 67 N -3.67 1.83 0.24 3.99 1.81 -1.26 -4.85 118.95 117.03 2kts s ARG 67 Ca 0.21 -2.80 0.00 0.00 -1.72 0.00 0.00 55.73 51.43 2kts s ARG 67 Cb 0.01 -2.65 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 2kts s ARG 67 CO 0.14 -1.30 0.04 -1.33 -0.68 0.00 0.00 175.30 172.16 2kts n MET 68 N 2.43 1.38 -3.41 3.54 2.81 -1.26 -5.18 117.12 117.43 2kts n MET 68 Ca 0.22 -1.67 -0.21 0.00 -1.81 0.00 0.00 57.70 54.23 2kts n MET 68 Cb 0.39 0.40 -0.00 0.00 -0.71 0.00 0.00 33.22 33.30 2kts n MET 68 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 2kts s MET 69 N -2.87 2.50 0.01 0.03 1.75 -1.26 -4.98 119.30 114.48 2kts s MET 69 Ca 0.03 -1.58 -0.04 0.00 -1.25 0.00 0.00 55.69 52.85 2kts s MET 69 Cb -0.00 -2.46 -0.01 0.00 2.84 0.00 0.00 34.83 35.20 2kts s MET 69 CO 0.02 -0.41 0.06 0.00 -0.65 0.00 0.00 175.02 174.04 2kts n ALA 71 N 1.51 4.06 -3.56 0.00 0.00 -1.26 -4.69 120.51 116.58 2kts n ALA 71 Ca -0.23 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 2kts n ALA 71 Cb 0.55 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 2kts n ALA 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kts s ASN 72 N 0.96 -0.44 0.02 0.00 2.47 -1.26 -5.09 114.94 111.59 2kts s ASN 72 Ca 0.13 0.48 0.01 0.00 0.42 0.00 0.00 52.86 53.90 2kts s ASN 72 Cb 0.11 0.36 -0.26 0.00 -1.45 0.00 0.00 41.25 40.01 2kts s ASN 72 CO 0.01 -0.41 0.92 1.55 -3.72 0.00 0.00 177.10 175.45 2kts h PRO 73 N 2.66 0.16 -0.71 0.43 0.13 -1.99 -3.35 132.00 129.33 2kts h PRO 73 Ca -0.20 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2kts h PRO 73 Cb 1.16 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2kts h PRO 73 CO 0.33 1.00 0.41 0.37 -0.23 0.00 0.00 178.00 179.88 2kts h GLN 74 N 0.04 0.96 -0.76 0.86 4.15 -1.98 0.02 115.11 118.40 2kts h GLN 74 Ca -0.20 -0.09 0.11 0.00 0.77 0.00 0.00 58.65 59.25 2kts h GLN 74 Cb 1.96 -0.20 -0.08 0.00 0.21 0.00 0.00 27.48 29.37 2kts h GLN 74 CO 0.14 0.68 0.37 -0.07 -1.93 0.00 0.00 178.83 178.03 2kts h LEU 75 N 0.97 0.46 0.00 -2.39 3.38 -1.84 -1.88 115.31 114.01 2kts h LEU 75 Ca 0.25 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2kts h LEU 75 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kts h LEU 75 CO -0.05 0.24 0.00 -3.20 0.09 0.00 0.00 178.44 175.52 2kts n ASN 76 N -4.88 0.00 -0.12 -0.43 2.85 -0.02 -0.76 115.26 111.90 2kts n ASN 76 Ca 0.13 -1.35 -0.23 0.00 -0.11 0.00 0.00 54.58 53.03 2kts n ASN 76 Cb 0.33 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.26 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 -0.75 0.56 0.22 1.20 0.00 -0.74 -4.54 120.64 116.59 2kts n GLU 77 Ca 0.11 0.20 0.06 0.00 0.00 0.00 0.00 57.16 57.52 2kts n GLU 77 Cb 0.05 -1.43 0.48 0.00 0.00 0.00 0.00 31.44 30.54 2kts n GLU 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2kts h LEU 78 N -0.55 0.00 0.00 4.31 3.38 -0.99 -1.09 115.31 120.37 2kts h LEU 78 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2kts h LEU 78 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2kts h LEU 78 CO -0.27 0.24 0.00 -0.67 0.09 0.00 0.00 178.44 177.83 2kts n ASP 79 N -4.11 0.00 -0.09 -0.43 -0.08 0.07 -1.71 116.55 110.21 2kts n ASP 79 Ca -0.02 0.30 -0.12 0.00 -1.51 0.00 0.00 54.79 53.44 2kts n ASP 79 Cb 0.31 -0.32 -0.08 0.00 2.34 0.00 0.00 41.12 43.37 2kts n ASP 79 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kts n ASN 80 N -1.32 2.64 0.16 1.67 3.02 -0.46 -4.62 115.26 116.35 2kts n ASN 80 Ca 0.01 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.39 2kts n ASN 80 Cb 0.02 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 2kts n ASN 80 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2kts h THR 81 N -0.02 0.00 -0.70 3.41 2.02 -0.85 -2.54 112.91 114.24 2kts h THR 81 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2kts h THR 81 Cb 1.58 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2kts h THR 81 CO -0.07 0.00 0.44 -0.29 0.37 0.00 0.00 175.52 175.97 2kts h ILE 82 N -0.53 1.19 -0.38 3.11 6.09 -1.76 0.14 117.51 125.37 2kts h ILE 82 Ca -0.04 -0.39 0.03 0.00 -1.37 0.00 0.00 64.86 63.09 2kts h ILE 82 Cb 0.45 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 37.90 2kts h ILE 82 CO -0.02 0.19 0.19 0.28 -3.07 0.00 0.00 178.15 175.73 2kts h SER 83 N 0.95 0.29 0.05 2.19 0.02 -1.78 0.09 113.55 115.35 2kts h SER 83 Ca 0.25 0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.97 2kts h SER 83 Cb -0.07 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.46 2kts h SER 83 CO -0.05 0.21 -1.00 -0.08 -1.14 0.00 0.00 176.83 174.77 2kts h GLU 84 N 0.40 0.59 -0.57 3.45 4.81 -0.93 -3.27 114.58 119.06 2kts h GLU 84 Ca 0.16 -0.70 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 2kts h GLU 84 Cb 0.06 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2kts h GLU 84 CO -0.11 1.29 -0.06 0.00 -0.73 0.00 0.00 179.01 179.41 2kts h MET 85 N 0.20 1.04 -0.04 1.92 -0.00 -0.54 -3.06 114.93 114.44 2kts h MET 85 Ca -0.14 -0.36 -0.13 0.00 -0.00 0.00 0.00 59.70 59.07 2kts h MET 85 Cb 1.68 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 33.19 2kts h MET 85 CO 0.19 1.05 -0.56 -0.07 -0.00 0.00 0.00 176.91 177.52 2kts h LEU 86 N 0.92 0.15 -0.21 -0.10 3.38 -1.08 -0.16 115.31 118.22 2kts h LEU 86 Ca 0.15 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2kts h LEU 86 Cb 0.62 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2kts h LEU 86 CO 0.04 0.68 -0.04 0.50 0.09 0.00 0.00 178.44 179.71 2kts h LYS 87 N 0.10 0.01 0.00 1.13 1.63 -1.59 -0.81 116.57 117.05 2kts h LYS 87 Ca -0.00 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2kts h LYS 87 Cb 1.03 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 2kts h LYS 87 CO 0.08 0.01 -0.30 0.93 -3.45 0.00 0.00 179.45 176.72 2kts h GLU 88 N 0.01 0.00 -0.74 1.90 5.08 -1.43 -3.43 114.58 115.97 2kts h GLU 88 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2kts h GLU 88 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kts h GLU 88 CO -0.21 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 2kts n GLY 89 N -0.18 -0.50 3.74 -3.84 0.00 -0.11 -4.94 105.19 99.36 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 3.27 0.31 4.61 0.00 -0.52 -4.83 121.76 124.61 2kts s ALA 90 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 2kts s ALA 90 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 2kts s ALA 90 CO 0.00 0.04 1.36 -0.65 0.00 0.00 0.00 175.76 176.51 2kts s GLN 91 N -0.31 4.31 -0.10 0.00 -1.52 -0.19 -0.29 119.66 121.55 2kts s GLN 91 Ca 0.45 2.27 -0.01 0.00 -1.95 0.00 0.00 55.36 56.12 2kts s GLN 91 Cb -0.24 -3.07 0.03 0.00 -0.22 0.00 0.00 33.01 29.50 2kts s GLN 91 CO 0.30 -0.29 -0.05 0.08 -0.25 0.00 0.00 175.29 175.09 2kts s VAL 92 N -0.81 0.80 -0.34 1.09 1.01 0.45 -2.11 120.40 120.49 2kts s VAL 92 Ca 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2kts s VAL 92 Cb -0.41 -0.88 0.12 0.00 0.00 0.00 0.00 36.38 35.22 2kts s VAL 92 CO 0.51 0.32 0.17 -1.81 0.00 0.00 0.00 175.10 174.29 2kts s ASP 93 N 1.80 3.45 -0.33 3.32 1.01 0.10 -4.65 116.67 121.37 2kts s ASP 93 Ca 0.05 -1.91 -0.28 0.00 0.71 0.00 0.00 52.55 51.12 2kts s ASP 93 Cb -0.13 -0.59 -0.03 0.00 1.01 0.00 0.00 42.92 43.19 2kts s ASP 93 CO -0.07 -0.36 1.93 -0.22 0.21 0.00 0.00 175.17 176.66 2kts s LEU 94 N 1.34 3.47 0.00 1.23 1.98 -1.26 -0.50 118.68 124.94 2kts s LEU 94 Ca 0.14 1.36 -0.17 0.00 -2.89 0.00 0.00 54.13 52.57 2kts s LEU 94 Cb -0.20 -3.39 0.25 0.00 0.66 0.00 0.00 46.19 43.50 2kts s LEU 94 CO -0.15 -1.87 0.96 0.41 -1.89 0.00 0.00 176.35 173.81 2kts n THR 95 N 7.51 0.00 -0.42 3.68 -1.04 0.35 -4.39 114.28 119.97 2kts n THR 95 Ca 0.25 -0.47 0.35 0.00 -2.04 0.00 0.00 64.05 62.14 2kts n THR 95 Cb 0.47 -1.25 0.65 0.00 -1.82 0.00 0.00 70.33 68.38 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts h ALA 96 N -2.52 2.81 0.00 2.41 0.00 -2.02 -3.17 119.26 116.77 2kts h ALA 96 Ca -0.35 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2kts h ALA 96 Cb 1.06 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2kts h ALA 96 CO 0.23 -1.31 -0.29 0.27 0.00 0.00 0.00 179.25 178.15 2kts n ASN 97 N -4.49 -0.05 -3.66 0.00 0.23 -1.26 -5.09 115.26 100.94 2kts n ASN 97 Ca 0.33 -1.54 -0.19 0.00 -0.53 0.00 0.00 54.58 52.64 2kts n ASN 97 Cb 1.31 -0.05 -0.17 0.00 -2.08 0.00 0.00 39.78 38.80 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 -0.03 -0.43 -3.83 0.74 -1.20 -1.75 119.66 113.16 2kts s GLN 98 Ca 0.03 0.42 -0.28 0.00 0.05 0.00 0.00 55.36 55.58 2kts s GLN 98 Cb 0.04 -0.51 -0.01 0.00 1.10 0.00 0.00 33.01 33.63 2kts s GLN 98 CO -0.02 -0.35 1.68 -1.17 -0.55 0.00 0.00 175.29 174.89 2kts s LEU 99 N 2.22 3.47 -0.31 3.68 2.96 0.60 -0.50 118.68 130.80 2kts s LEU 99 Ca 0.04 0.88 -0.22 0.00 -0.22 0.00 0.00 54.13 54.61 2kts s LEU 99 Cb -0.12 -3.26 -0.00 0.00 0.50 0.00 0.00 46.19 43.30 2kts s LEU 99 CO -0.04 -1.79 0.71 -0.89 -1.32 0.00 0.00 176.35 173.02 2kts s THR 100 N 6.93 4.86 0.06 3.68 2.01 0.34 -2.20 115.64 131.33 2kts s THR 100 Ca 0.70 1.03 0.04 0.00 0.31 0.00 0.00 61.69 63.77 2kts s THR 100 Cb -0.17 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2kts s THR 100 CO 0.30 -0.20 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.23 2kts s LEU 101 N 2.79 3.30 0.12 4.42 2.01 -0.83 -0.72 118.68 129.76 2kts s LEU 101 Ca 0.29 -0.19 -0.11 0.00 0.01 0.00 0.00 54.13 54.13 2kts s LEU 101 Cb -0.14 -1.99 0.01 0.00 0.01 0.00 0.00 46.19 44.07 2kts s LEU 101 CO 0.12 0.22 0.27 0.00 1.01 0.00 0.00 176.35 177.97 2kts s ALA 102 N -1.17 -0.38 0.33 4.21 0.00 -0.90 -2.49 121.76 121.36 2kts s ALA 102 Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 2kts s ALA 102 Cb -0.11 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 2kts s ALA 102 CO 0.13 -0.58 0.45 0.95 0.00 0.00 0.00 175.76 176.71 2kts s THR 103 N -3.87 0.00 0.60 0.00 -4.23 -0.70 -1.02 115.64 106.42 2kts s THR 103 Ca 0.07 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.26 2kts s THR 103 Cb 0.04 -2.58 0.36 0.00 1.34 0.00 0.00 72.50 71.65 2kts s THR 103 CO -0.09 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 176.07 2kts h ALA 104 N 2.15 1.79 -3.00 3.99 0.00 -1.97 -3.18 119.26 119.04 2kts h ALA 104 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kts h ALA 104 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kts h ALA 104 CO 0.39 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 180.93 2kts n LYS 105 N -3.70 0.00 -3.90 0.00 4.76 -1.26 -5.08 118.16 108.98 2kts n LYS 105 Ca 0.02 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 2kts n LYS 105 Cb 0.36 -0.60 -0.01 0.00 -1.84 0.00 0.00 35.03 32.95 2kts n LYS 105 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2kts s GLN 106 N -0.33 2.03 -0.06 1.97 -2.07 -1.20 -5.18 119.66 114.82 2kts s GLN 106 Ca 0.00 -1.43 0.06 0.00 -1.82 0.00 0.00 55.36 52.16 2kts s GLN 106 Cb 0.00 0.57 -0.01 0.00 -1.09 0.00 0.00 33.01 32.48 2kts s GLN 106 CO 0.00 -0.91 -0.24 -0.08 -1.32 0.00 0.00 175.29 172.74 2kts s THR 107 N -2.89 1.97 0.14 3.63 -1.32 -1.26 -1.72 115.64 114.20 2kts s THR 107 Ca 0.19 -1.02 0.10 0.00 -1.21 0.00 0.00 61.69 59.75 2kts s THR 107 Cb -0.04 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 2kts s THR 107 CO 0.13 0.55 -0.20 -0.76 -2.21 0.00 0.00 174.62 172.13 2kts s LEU 108 N -0.11 2.62 -0.29 9.08 2.01 -1.04 -2.01 118.68 128.95 2kts s LEU 108 Ca -0.05 -0.64 0.03 0.00 0.01 0.00 0.00 54.13 53.48 2kts s LEU 108 Cb -0.14 -1.44 0.07 0.00 0.01 0.00 0.00 46.19 44.69 2kts s LEU 108 CO 0.04 0.16 -0.05 -0.89 1.01 0.00 0.00 176.35 176.61 2kts s THR 109 N -1.28 2.31 -0.11 5.49 2.01 -0.21 -1.97 115.64 121.87 2kts s THR 109 Ca 0.19 -1.79 -0.01 0.00 0.31 0.00 0.00 61.69 60.39 2kts s THR 109 Cb -0.10 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 2kts s THR 109 CO 0.10 -0.18 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.46 2kts s TYR 110 N 1.07 2.94 0.03 4.92 1.51 -0.93 -2.10 117.35 124.79 2kts s TYR 110 Ca -0.04 -0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 55.66 2kts s TYR 110 Cb -0.20 -1.83 -0.06 0.00 -0.11 0.00 0.00 41.96 39.77 2kts s TYR 110 CO -0.05 0.07 0.39 0.21 -1.11 0.00 0.00 175.55 175.06 2kts s LYS 111 N -0.12 3.80 -0.42 -0.62 2.36 -0.89 -0.29 119.74 123.56 2kts s LYS 111 Ca 0.01 0.25 -0.27 0.00 -2.55 0.00 0.00 55.97 53.41 2kts s LYS 111 Cb -0.13 -3.10 -0.03 0.00 -1.05 0.00 0.00 37.83 33.51 2kts s LYS 111 CO 0.03 0.63 1.96 -1.17 1.55 0.00 0.00 175.35 178.35 2kts s LEU 112 N -1.50 3.42 -0.31 5.43 2.96 -0.72 -2.85 118.68 125.11 2kts s LEU 112 Ca 0.28 1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 2kts s LEU 112 Cb -0.15 -3.09 0.11 0.00 0.50 0.00 0.00 46.19 43.55 2kts s LEU 112 CO 0.15 -2.10 0.14 0.00 -1.32 0.00 0.00 176.35 173.22 2kts s ALA 113 N 8.48 0.93 -0.63 5.97 0.00 -1.01 -5.02 121.76 130.48 2kts s ALA 113 Ca 0.82 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 2kts s ALA 113 Cb -0.20 -1.49 0.32 0.00 0.00 0.00 0.00 23.12 21.74 2kts s ALA 113 CO 0.29 -1.73 2.16 -3.47 0.00 0.00 0.00 175.76 173.01 2kts n ASP 114 N 4.94 7.25 0.00 0.00 2.03 -1.26 -4.28 116.55 125.23 2kts n ASP 114 Ca -0.02 -3.58 0.01 0.00 0.52 0.00 0.00 54.79 51.72 2kts n ASP 114 Cb 0.41 -1.06 0.08 0.00 -0.72 0.00 0.00 41.12 39.83 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 -0.29 0.00 -0.18 -2.67 4.77 -1.26 -4.52 117.00 112.84 2kts n LEU 115 Ca 0.52 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.65 2kts n LEU 115 Cb 0.50 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.07 2kts n LEU 115 CO 0.56 0.00 1.21 0.00 -1.33 0.00 0.00 177.39 177.84 2kts h MET 116 N 0.00 0.45 0.00 3.23 -0.00 -1.99 -3.54 114.93 113.08 2kts h MET 116 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2kts h MET 116 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.50 2kts h MET 116 CO 0.00 0.30 0.00 -1.71 -0.00 0.00 0.00 176.91 175.50