#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 3.35 -4.19 1.12 3.14 -1.26 -5.04 118.33 115.45 2kts n VAL 2 Ca 0.00 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.61 2kts n VAL 2 Cb 0.00 -1.76 -0.08 0.00 -1.06 0.00 0.00 33.84 30.94 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 -1.24 3.78 0.34 1.55 -4.23 -1.26 -4.93 115.64 109.64 2kts s THR 3 Ca 0.67 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.89 2kts s THR 3 Cb -0.43 -2.88 0.13 0.00 1.34 0.00 0.00 72.50 70.66 2kts s THR 3 CO 0.53 -0.07 1.85 1.55 -0.54 0.00 0.00 174.62 177.94 2kts h PRO 4 N 2.83 0.42 -1.01 3.99 0.13 -1.97 -1.09 132.00 135.30 2kts h PRO 4 Ca -0.47 -0.11 0.26 0.00 -0.87 0.00 0.00 66.00 64.80 2kts h PRO 4 Cb 1.20 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2kts h PRO 4 CO 0.58 0.54 0.67 1.49 -0.23 0.00 0.00 178.00 181.04 2kts h GLU 5 N 0.40 0.35 0.00 0.86 4.81 -1.96 0.63 114.58 119.67 2kts h GLU 5 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2kts h GLU 5 Cb 0.43 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2kts h GLU 5 CO 0.02 0.23 0.00 1.04 -0.73 0.00 0.00 179.01 179.57 2kts n GLN 6 N -4.55 0.62 0.05 1.92 6.02 -0.41 -3.99 117.38 117.05 2kts n GLN 6 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2kts n GLN 6 Cb 0.86 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.90 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 -0.72 0.18 0.00 1.08 4.77 0.03 -4.78 117.00 117.56 2kts n LEU 7 Ca 0.07 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2kts n LEU 7 Cb 0.03 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2kts n LEU 7 CO 0.05 -0.53 0.40 0.00 -1.33 0.00 0.00 177.39 175.98 2kts n GLN 8 N -3.10 0.00 -1.51 3.23 6.02 -0.13 -1.07 117.38 120.82 2kts n GLN 8 Ca 0.00 0.26 0.04 0.00 -0.01 0.00 0.00 57.00 57.29 2kts n GLN 8 Cb 0.11 -1.58 0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.22 0.04 -3.88 1.08 8.25 -1.25 -3.90 115.22 114.33 2kts n HIS 9 Ca 0.00 -0.58 -0.11 0.00 -0.26 0.00 0.00 57.72 56.76 2kts n HIS 9 Cb 0.08 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.22 0.02 0.25 4.41 3.76 -0.23 -5.11 115.29 118.18 2kts s HIS 10 Ca 0.34 -0.03 -0.13 0.00 -0.15 0.00 0.00 55.06 55.09 2kts s HIS 10 Cb 0.39 -0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.97 2kts s HIS 10 CO -0.16 -0.06 0.63 0.50 -0.85 0.00 0.00 174.74 174.80 2kts s ARG 11 N -0.30 3.93 0.03 1.40 3.52 -1.26 -4.14 118.95 122.13 2kts s ARG 11 Ca -0.03 0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2kts s ARG 11 Cb -0.02 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 2kts s ARG 11 CO -0.00 0.28 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.68 2kts s PHE 12 N -1.82 0.39 -0.02 5.12 0.40 -0.44 -4.10 117.98 117.51 2kts s PHE 12 Ca 0.49 -0.78 0.05 0.00 -0.60 0.00 0.00 56.93 56.09 2kts s PHE 12 Cb -0.12 -0.29 -0.01 0.00 0.51 0.00 0.00 43.02 43.12 2kts s PHE 12 CO 0.19 -0.27 -0.16 0.14 0.70 0.00 0.00 175.22 175.82 2kts s VAL 13 N -2.58 1.25 -0.72 -0.44 -7.23 -0.68 -0.33 120.40 109.66 2kts s VAL 13 Ca -0.05 -0.67 -0.26 0.00 -1.81 0.00 0.00 61.98 59.19 2kts s VAL 13 Cb -0.02 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 2kts s VAL 13 CO -0.05 0.35 1.70 -0.22 -0.31 0.00 0.00 175.10 176.57 2kts s LEU 14 N -0.32 3.25 0.04 1.32 2.96 -0.48 -0.95 118.68 124.49 2kts s LEU 14 Ca 0.05 -0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 53.52 2kts s LEU 14 Cb -0.07 -2.55 -0.17 0.00 0.50 0.00 0.00 46.19 43.91 2kts s LEU 14 CO -0.00 -2.24 1.40 -0.33 -1.32 0.00 0.00 176.35 173.86 2kts h GLU 15 N 12.73 -0.51 -2.66 1.98 4.39 -1.83 -3.43 114.58 125.25 2kts h GLU 15 Ca -0.17 0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 2kts h GLU 15 Cb 1.10 0.12 -0.17 0.00 -0.10 0.00 0.00 28.75 29.69 2kts h GLU 15 CO 1.25 -0.24 0.02 -1.12 -1.16 0.00 0.00 179.01 177.76 2kts s SER 16 N -4.86 -0.45 0.40 1.42 0.01 -1.13 -3.29 113.70 105.80 2kts s SER 16 Ca -0.15 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.45 2kts s SER 16 Cb 0.03 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 2kts s SER 16 CO 0.57 -0.66 0.25 -0.69 0.41 0.00 0.00 173.24 173.12 2kts s VAL 17 N -2.07 2.55 -1.53 3.43 1.01 -0.43 -2.22 120.40 121.14 2kts s VAL 17 Ca -0.07 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2kts s VAL 17 Cb -0.01 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2kts s VAL 17 CO 0.01 -0.03 0.55 -0.46 0.00 0.00 0.00 175.10 175.18 2kts n ASN 18 N -1.33 0.00 0.00 3.32 6.94 -1.13 -3.01 115.26 120.05 2kts n ASN 18 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 2kts n ASN 18 Cb 0.63 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 2kts n ASN 18 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kts n GLY 19 N -1.05 1.00 0.00 4.83 0.00 -1.26 -5.04 105.19 103.67 2kts n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kts n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kts n LYS 20 N 0.00 0.00 -0.91 1.61 2.85 -1.16 -5.17 118.16 115.37 2kts n LYS 20 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2kts n LYS 20 Cb 0.18 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 34.82 2kts n LYS 20 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kts s PRO 21 N -2.00 -1.91 0.15 -1.58 0.04 -1.26 -1.32 135.00 127.13 2kts s PRO 21 Ca 0.00 -0.13 0.07 0.00 0.04 0.00 0.00 61.00 60.98 2kts s PRO 21 Cb 0.00 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.98 2kts s PRO 21 CO 0.00 -4.15 0.00 0.08 0.04 0.00 0.00 177.00 172.97 2kts s VAL 22 N -2.85 3.82 -0.26 -0.36 1.01 -1.21 -4.75 120.40 115.80 2kts s VAL 22 Ca 0.71 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 2kts s VAL 22 Cb -0.09 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.48 2kts s VAL 22 CO 0.56 -0.05 0.04 0.42 0.00 0.00 0.00 175.10 176.06 2kts s THR 23 N -1.62 1.08 -0.35 3.92 -4.23 -1.26 -5.02 115.64 108.17 2kts s THR 23 Ca 0.27 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 2kts s THR 23 Cb -0.10 -1.64 0.19 0.00 1.34 0.00 0.00 72.50 72.29 2kts s THR 23 CO 0.19 -0.40 0.71 -0.55 -0.54 0.00 0.00 174.62 174.02 2kts s SER 24 N 1.55 -1.31 0.00 3.99 0.15 -1.26 -4.94 113.70 111.88 2kts s SER 24 Ca 0.03 -0.33 0.29 0.00 0.70 0.00 0.00 55.95 56.65 2kts s SER 24 Cb -0.18 1.73 1.43 0.00 -1.71 0.00 0.00 66.02 67.29 2kts s SER 24 CO -0.15 -0.18 1.99 0.47 1.20 0.00 0.00 173.24 176.57 2kts n ASP 25 N 4.70 0.00 -0.02 5.45 8.00 -1.26 -2.89 116.55 130.53 2kts n ASP 25 Ca 0.08 -0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.52 2kts n ASP 25 Cb 0.57 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kts n LYS 26 N -1.32 2.49 -3.38 -1.24 4.81 -1.26 -4.88 118.16 113.39 2kts n LYS 26 Ca 0.13 0.01 -0.26 0.00 -0.87 0.00 0.00 58.31 57.31 2kts n LYS 26 Cb 0.25 -1.09 -0.09 0.00 0.02 0.00 0.00 35.03 34.12 2kts n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2kts n ASN 27 N -2.27 -0.02 -4.73 3.14 0.23 -1.25 -5.13 115.26 105.23 2kts n ASN 27 Ca -0.06 -2.52 -0.33 0.00 -0.53 0.00 0.00 54.58 51.13 2kts n ASN 27 Cb 0.60 -0.59 0.09 0.00 -2.08 0.00 0.00 39.78 37.81 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kts s PRO 28 N -0.39 2.13 -0.93 -0.53 0.04 -1.14 -4.81 135.00 129.38 2kts s PRO 28 Ca 0.33 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 2kts s PRO 28 Cb 0.07 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.62 2kts s PRO 28 CO -0.17 -1.81 1.91 -0.35 0.04 0.00 0.00 177.00 176.63 2kts n PRO 29 N -2.92 1.42 -2.55 0.56 -0.04 -1.26 -4.80 135.00 125.41 2kts n PRO 29 Ca 0.12 -2.08 -0.26 0.00 -0.04 0.00 0.00 63.50 61.24 2kts n PRO 29 Cb 0.51 -3.30 0.02 0.00 -0.04 0.00 0.00 33.50 30.69 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 5.90 3.05 0.01 0.54 1.03 -1.26 -1.39 118.70 126.57 2kts s GLU 30 Ca 0.64 -0.07 0.04 0.00 0.03 0.00 0.00 54.97 55.61 2kts s GLU 30 Cb 0.07 -2.35 -0.01 0.00 -0.80 0.00 0.00 34.13 31.04 2kts s GLU 30 CO 0.14 -0.54 -0.13 -1.50 -1.33 0.00 0.00 175.26 171.91 2kts s ILE 31 N -2.86 0.99 0.12 1.83 2.07 0.55 -3.39 121.20 120.51 2kts s ILE 31 Ca 0.52 -0.71 -0.00 0.00 -1.41 0.00 0.00 60.65 59.05 2kts s ILE 31 Cb -0.10 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 2kts s ILE 31 CO 0.44 0.15 0.02 -0.44 -1.91 0.00 0.00 174.94 173.20 2kts s SER 32 N -0.63 0.58 -0.04 4.50 0.01 0.10 -1.32 113.70 116.89 2kts s SER 32 Ca 0.03 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.07 2kts s SER 32 Cb -0.06 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2kts s SER 32 CO 0.00 -0.66 0.16 -0.36 0.41 0.00 0.00 173.24 172.79 2kts s PHE 33 N -3.92 -0.11 -0.10 2.43 0.08 -1.26 -0.84 117.98 114.26 2kts s PHE 33 Ca 0.20 0.25 -0.30 0.00 0.12 0.00 0.00 56.93 57.21 2kts s PHE 33 Cb 0.07 0.03 0.11 0.00 -0.57 0.00 0.00 43.02 42.66 2kts s PHE 33 CO -0.00 -0.15 0.90 0.20 -0.10 0.00 0.00 175.22 176.06 2kts s GLY 34 N -0.40 -0.38 0.15 4.36 0.00 -1.16 -3.94 107.32 105.95 2kts s GLY 34 Ca -0.05 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.31 2kts s GLY 34 CO 0.01 0.86 0.00 -1.84 0.00 0.00 0.00 173.10 172.12 2kts n GLU 35 N 0.55 -1.13 -1.14 2.90 0.28 -1.26 -3.52 120.64 117.32 2kts n GLU 35 Ca -0.12 0.86 -0.09 0.00 -0.16 0.00 0.00 57.16 57.65 2kts n GLU 35 Cb 0.59 -1.41 -0.04 0.00 1.43 0.00 0.00 31.44 32.01 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kts n LYS 36 N -1.68 -1.45 -2.08 3.44 5.02 -1.26 0.05 118.16 120.20 2kts n LYS 36 Ca 0.00 0.59 -0.18 0.00 -2.02 0.00 0.00 58.31 56.69 2kts n LYS 36 Cb 0.07 -4.65 -0.03 0.00 -0.02 0.00 0.00 35.03 30.41 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 -1.17 -1.40 -0.98 1.97 2.81 -1.26 -4.55 117.12 112.54 2kts n MET 37 Ca -0.09 0.97 -0.32 0.00 -1.81 0.00 0.00 57.70 56.46 2kts n MET 37 Cb 0.36 -5.41 0.13 0.00 -0.71 0.00 0.00 33.22 27.59 2kts n MET 37 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 2kts s MET 38 N -4.47 1.54 -0.05 0.03 1.75 0.11 -1.43 119.30 116.78 2kts s MET 38 Ca 0.00 1.51 0.01 0.00 -1.25 0.00 0.00 55.69 55.96 2kts s MET 38 Cb 0.00 -1.79 0.02 0.00 2.84 0.00 0.00 34.83 35.90 2kts s MET 38 CO 0.00 -2.24 -0.05 0.42 -0.65 0.00 0.00 175.02 172.50 2kts s ILE 39 N -2.57 0.55 -0.16 10.11 1.01 -0.20 -2.99 121.20 126.95 2kts s ILE 39 Ca 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.18 2kts s ILE 39 Cb -0.23 -0.58 0.05 0.00 0.01 0.00 0.00 42.46 41.71 2kts s ILE 39 CO 0.55 0.23 -0.02 -0.44 0.00 0.00 0.00 174.94 175.26 2kts s SER 40 N 0.94 2.75 0.37 3.58 0.01 -0.02 -2.28 113.70 119.04 2kts s SER 40 Ca -0.11 -0.66 -0.09 0.00 1.31 0.00 0.00 55.95 56.40 2kts s SER 40 Cb -0.14 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.34 2kts s SER 40 CO 0.00 -0.22 0.64 -0.83 0.41 0.00 0.00 173.24 173.23 2kts s GLY 41 N 1.73 0.95 -0.37 3.44 0.00 -1.19 -0.72 107.32 111.15 2kts s GLY 41 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.64 2kts s GLY 41 CO -0.07 -0.66 0.66 -1.35 0.00 0.00 0.00 173.10 171.68 2kts s SER 42 N -3.16 -1.45 -0.02 1.64 1.04 -1.22 -1.71 113.70 108.82 2kts s SER 42 Ca 0.23 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 55.95 2kts s SER 42 Cb -0.03 1.86 -0.17 0.00 0.10 0.00 0.00 66.02 67.78 2kts s SER 42 CO 0.16 -0.19 1.12 0.24 0.98 0.00 0.00 173.24 175.55 2kts h MET 43 N 7.16 -0.20 0.00 4.02 2.86 -1.86 -3.37 114.93 123.54 2kts h MET 43 Ca 0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2kts h MET 43 Cb 1.19 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2kts h MET 43 CO 0.10 0.21 0.00 0.00 1.06 0.00 0.00 176.91 178.28 2kts n ASN 45 N -3.33 0.31 -1.15 0.00 5.03 -1.26 -4.64 115.26 110.21 2kts n ASN 45 Ca 0.00 -1.53 0.13 0.00 0.87 0.00 0.00 54.58 54.05 2kts n ASN 45 Cb 0.00 -0.15 -0.05 0.00 -1.02 0.00 0.00 39.78 38.56 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kts n ARG 46 N -0.25 -2.16 -3.83 3.52 5.12 -1.26 -0.72 116.66 117.08 2kts n ARG 46 Ca 0.00 1.63 -0.07 0.00 -1.93 0.00 0.00 57.85 57.48 2kts n ARG 46 Cb 0.08 -2.73 -0.00 0.00 -1.16 0.00 0.00 32.46 28.64 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 -3.32 -0.08 -0.30 -1.55 -0.71 -0.69 -4.41 117.98 106.93 2kts s PHE 47 Ca 0.00 -0.41 -0.29 0.00 -1.04 0.00 0.00 56.93 55.19 2kts s PHE 47 Cb 0.00 0.73 0.20 0.00 -1.21 0.00 0.00 43.02 42.74 2kts s PHE 47 CO 0.00 -1.23 1.40 -1.54 -1.34 0.00 0.00 175.22 172.51 2kts s SER 48 N -3.00 -0.00 0.00 1.98 1.04 -1.25 -3.16 113.70 109.30 2kts s SER 48 Ca 0.13 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2kts s SER 48 Cb -0.05 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2kts s SER 48 CO 0.07 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2kts n GLY 49 N 0.50 0.45 3.55 7.32 0.00 -0.96 -1.98 105.19 114.06 2kts n GLY 49 Ca 0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2kts n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kts s GLU 50 N -2.00 3.30 1.36 1.61 2.02 -1.26 -1.03 118.70 122.70 2kts s GLU 50 Ca 0.00 -0.49 -0.21 0.00 0.02 0.00 0.00 54.97 54.28 2kts s GLU 50 Cb 0.00 -4.50 0.34 0.00 0.10 0.00 0.00 34.13 30.07 2kts s GLU 50 CO 0.00 -2.16 0.97 0.20 0.02 0.00 0.00 175.26 174.29 2kts s GLY 51 N 4.07 1.46 0.13 -1.39 0.00 -0.51 -0.41 107.32 110.67 2kts s GLY 51 Ca 0.38 -0.79 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 2kts s GLY 51 CO 0.08 0.17 0.48 1.25 0.00 0.00 0.00 173.10 175.09 2kts s LYS 52 N -5.09 1.15 -0.40 2.90 2.20 -1.23 -4.43 119.74 114.84 2kts s LYS 52 Ca 0.69 -0.60 0.07 0.00 -0.36 0.00 0.00 55.97 55.77 2kts s LYS 52 Cb -0.13 0.51 0.17 0.00 -1.51 0.00 0.00 37.83 36.87 2kts s LYS 52 CO 0.58 -0.47 0.56 -1.17 -0.36 0.00 0.00 175.35 174.49 2kts s LEU 53 N -2.74 -1.11 -0.14 5.43 2.96 -1.26 -4.07 118.68 117.74 2kts s LEU 53 Ca 0.02 -1.01 0.24 0.00 -0.22 0.00 0.00 54.13 53.16 2kts s LEU 53 Cb 0.01 1.56 0.47 0.00 0.50 0.00 0.00 46.19 48.73 2kts s LEU 53 CO -0.12 -0.20 1.14 -0.24 -1.32 0.00 0.00 176.35 175.61 2kts n SER 54 N 4.37 1.36 0.00 3.68 2.88 -1.26 -4.50 113.62 120.15 2kts n SER 54 Ca 0.11 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2kts n SER 54 Cb 0.53 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.12 0.00 0.00 -3.46 0.23 -1.26 -5.03 115.26 105.62 2kts n ASN 55 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 2kts n ASN 55 Cb 0.96 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 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 -0.83 0.00 2.89 4.83 0.00 -1.26 -5.00 105.19 105.82 2kts n GLY 56 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2kts n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kts s GLU 57 N 0.00 0.65 -0.65 1.61 2.12 -1.26 -2.65 118.70 118.52 2kts s GLU 57 Ca 0.00 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.21 2kts s GLU 57 Cb 0.00 -0.69 0.17 0.00 0.26 0.00 0.00 34.13 33.87 2kts s GLU 57 CO 0.00 -0.05 0.47 -1.17 -0.54 0.00 0.00 175.26 173.97 2kts s LEU 58 N 0.74 5.37 -0.14 2.70 2.96 0.53 -4.30 118.68 126.55 2kts s LEU 58 Ca -0.09 -2.85 -0.14 0.00 -0.22 0.00 0.00 54.13 50.82 2kts s LEU 58 Cb -0.12 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 2kts s LEU 58 CO -0.00 -0.38 0.33 0.42 -1.32 0.00 0.00 176.35 175.39 2kts s THR 59 N -0.06 5.27 0.20 3.68 -4.23 -1.26 -2.39 115.64 116.84 2kts s THR 59 Ca 0.17 0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 61.01 2kts s THR 59 Cb -0.19 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 69.91 2kts s THR 59 CO -0.04 0.40 1.05 0.00 -0.54 0.00 0.00 174.62 175.49 2kts s ALA 60 N 0.30 3.35 0.33 3.99 0.00 0.07 -3.50 121.76 126.29 2kts s ALA 60 Ca 0.19 0.76 0.31 0.00 0.00 0.00 0.00 51.96 53.21 2kts s ALA 60 Cb -0.14 -3.31 1.48 0.00 0.00 0.00 0.00 23.12 21.15 2kts s ALA 60 CO 0.06 -0.09 2.05 -0.22 0.00 0.00 0.00 175.76 177.56 2kts h LYS 61 N 4.72 0.00 0.00 0.00 3.64 -1.06 -3.45 116.57 120.43 2kts h LYS 61 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2kts h LYS 61 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2kts h LYS 61 CO 0.70 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.39 2kts n GLY 62 N -0.43 0.79 3.62 5.01 0.00 -1.26 -4.97 105.19 107.95 2kts n GLY 62 Ca -0.01 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 2kts n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kts s LEU 63 N 0.00 3.76 -0.90 0.99 1.02 -1.26 -4.30 118.68 117.98 2kts s LEU 63 Ca 0.00 0.88 -0.19 0.00 0.02 0.00 0.00 54.13 54.84 2kts s LEU 63 Cb 0.00 -3.54 0.13 0.00 0.02 0.00 0.00 46.19 42.80 2kts s LEU 63 CO 0.00 -1.16 1.08 0.00 0.02 0.00 0.00 176.35 176.29 2kts s ALA 64 N 4.47 3.41 0.70 4.21 0.00 -0.84 -4.96 121.76 128.75 2kts s ALA 64 Ca 0.53 -2.75 0.03 0.00 0.00 0.00 0.00 51.96 49.77 2kts s ALA 64 Cb -0.12 -3.99 0.13 0.00 0.00 0.00 0.00 23.12 19.14 2kts s ALA 64 CO 0.26 -2.91 0.95 -1.33 0.00 0.00 0.00 175.76 172.73 2kts n MET 65 N 6.42 0.09 -0.90 0.00 2.81 -1.26 -3.87 117.12 120.40 2kts n MET 65 Ca 0.21 -2.84 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 2kts n MET 65 Cb 0.49 -0.55 0.00 0.00 -0.71 0.00 0.00 33.22 32.45 2kts n MET 65 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2kts n THR 66 N -2.70 0.00 -2.61 2.03 -2.24 0.10 -5.01 114.28 103.85 2kts n THR 66 Ca 0.17 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.74 2kts n THR 66 Cb 0.60 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.00 2.48 -3.29 -0.78 5.12 -1.26 -4.93 116.66 114.00 2kts n ARG 67 Ca 0.00 -4.03 -0.19 0.00 -1.93 0.00 0.00 57.85 51.70 2kts n ARG 67 Cb 0.00 -1.86 -0.01 0.00 -1.16 0.00 0.00 32.46 29.42 2kts n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kts n MET 68 N -0.28 1.03 -4.23 5.56 0.00 -1.26 -5.15 117.12 112.78 2kts n MET 68 Ca 0.27 -2.35 -0.16 0.00 0.00 0.00 0.00 57.70 55.46 2kts n MET 68 Cb 0.70 0.38 -0.08 0.00 0.00 0.00 0.00 33.22 34.22 2kts n MET 68 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2kts s MET 69 N -3.41 1.56 0.03 3.17 -1.94 -1.26 -4.66 119.30 112.79 2kts s MET 69 Ca 0.14 -1.84 -0.01 0.00 -1.71 0.00 0.00 55.69 52.27 2kts s MET 69 Cb -0.01 0.32 -0.02 0.00 2.01 0.00 0.00 34.83 37.12 2kts s MET 69 CO 0.09 -0.57 -0.02 0.00 -0.01 0.00 0.00 175.02 174.51 2kts n ALA 71 N 1.15 2.53 -2.79 0.00 0.00 -1.26 -4.71 120.51 115.43 2kts n ALA 71 Ca -0.21 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 2kts n ALA 71 Cb 0.57 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 2kts n ALA 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kts s ASN 72 N -1.36 0.72 0.14 0.00 2.47 -1.26 -5.07 114.94 110.59 2kts s ASN 72 Ca 0.16 -0.25 -0.02 0.00 0.42 0.00 0.00 52.86 53.16 2kts s ASN 72 Cb 0.07 -0.04 -0.05 0.00 -1.45 0.00 0.00 41.25 39.79 2kts s ASN 72 CO 0.12 -0.02 1.34 1.55 -3.72 0.00 0.00 177.10 176.37 2kts h PRO 73 N 5.50 0.36 -0.73 0.43 0.13 -1.98 -2.91 132.00 132.80 2kts h PRO 73 Ca -0.31 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2kts h PRO 73 Cb 1.19 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2kts h PRO 73 CO 0.47 1.05 0.46 0.37 -0.23 0.00 0.00 178.00 180.12 2kts h GLN 74 N 0.21 0.97 -0.89 0.86 4.15 -1.97 -2.08 115.11 116.35 2kts h GLN 74 Ca -0.06 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.31 2kts h GLN 74 Cb 1.52 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.95 2kts h GLN 74 CO 0.15 0.66 0.58 -0.07 -1.93 0.00 0.00 178.83 178.22 2kts h LEU 75 N 0.99 0.98 -1.66 -2.39 3.38 -1.82 -0.77 115.31 114.02 2kts h LEU 75 Ca 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2kts h LEU 75 Cb -0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2kts h LEU 75 CO -0.05 0.68 -0.09 -1.13 0.09 0.00 0.00 178.44 177.94 2kts h ASN 76 N 1.15 0.00 0.22 -0.43 -0.73 -1.40 -2.46 115.58 111.92 2kts h ASN 76 Ca 0.35 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 58.22 2kts h ASN 76 Cb -0.04 0.00 0.03 0.00 0.27 0.00 0.00 38.32 38.58 2kts h ASN 76 CO -0.10 0.09 -1.30 -0.33 -0.37 0.00 0.00 177.43 175.41 2kts h GLU 77 N 0.00 0.47 0.00 6.67 5.08 -0.90 -3.36 114.58 122.53 2kts h GLU 77 Ca -0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2kts h GLU 77 Cb 0.47 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kts h GLU 77 CO 0.01 1.38 0.00 1.28 -1.00 0.00 0.00 179.01 180.68 2kts n LEU 78 N -3.84 0.37 -0.21 1.33 4.77 -0.39 -1.46 117.00 117.59 2kts n LEU 78 Ca -0.17 0.65 -0.11 0.00 -0.03 0.00 0.00 56.01 56.35 2kts n LEU 78 Cb 1.02 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 2kts n LEU 78 CO 0.57 -0.69 0.52 -0.78 -1.33 0.00 0.00 177.39 175.68 2kts h ASP 79 N 0.00 -1.77 -0.23 -1.43 3.58 -1.70 -1.51 116.42 113.36 2kts h ASP 79 Ca 0.00 0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.58 2kts h ASP 79 Cb 0.09 0.76 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2kts h ASP 79 CO 0.00 -0.35 -0.31 -0.55 -2.88 0.00 0.00 179.24 175.15 2kts h ASN 80 N -0.27 0.77 0.20 2.28 7.08 -1.53 -2.30 115.58 121.81 2kts h ASN 80 Ca 0.13 -0.31 -0.00 0.00 -3.08 0.00 0.00 56.30 53.04 2kts h ASN 80 Cb 0.56 -0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 36.58 2kts h ASN 80 CO -0.69 1.02 -0.16 0.74 -2.08 0.00 0.00 177.43 176.26 2kts h THR 81 N 0.62 0.65 -0.42 6.14 2.02 -1.54 -0.91 112.91 119.47 2kts h THR 81 Ca 0.07 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.11 2kts h THR 81 Cb 0.84 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2kts h THR 81 CO 0.07 0.00 -0.29 -0.29 0.37 0.00 0.00 175.52 175.38 2kts h ILE 82 N -0.38 1.27 0.30 3.11 6.09 -1.24 -1.81 117.51 124.86 2kts h ILE 82 Ca -0.01 -1.46 -0.01 0.00 -1.37 0.00 0.00 64.86 62.01 2kts h ILE 82 Cb 0.34 1.25 0.00 0.00 0.47 0.00 0.00 36.82 38.88 2kts h ILE 82 CO -0.01 0.49 -0.14 -1.28 -3.07 0.00 0.00 178.15 174.14 2kts h SER 83 N 0.79 -0.34 -0.49 2.19 0.87 -1.14 -2.18 113.55 113.25 2kts h SER 83 Ca 0.09 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kts h SER 83 Cb 0.87 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2kts h SER 83 CO 0.08 -0.23 0.29 -0.33 -0.53 0.00 0.00 176.83 176.11 2kts h GLU 84 N -0.43 0.67 0.00 2.24 4.39 -1.19 -0.04 114.58 120.23 2kts h GLU 84 Ca -0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2kts h GLU 84 Cb 0.32 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2kts h GLU 84 CO 0.07 0.50 0.00 0.52 -1.16 0.00 0.00 179.01 178.94 2kts h MET 85 N 0.66 0.00 0.00 2.33 2.86 -1.09 -1.60 114.93 118.09 2kts h MET 85 Ca 0.18 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 2kts h MET 85 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2kts h MET 85 CO -0.03 0.00 -1.86 1.28 1.06 0.00 0.00 176.91 177.36 2kts n LEU 86 N -2.69 0.00 0.07 1.22 7.99 -0.84 -0.93 117.00 121.82 2kts n LEU 86 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 2kts n LEU 86 Cb 0.20 0.19 -0.07 0.00 -0.11 0.00 0.00 43.42 43.64 2kts n LEU 86 CO 0.21 0.19 0.36 0.11 -1.51 0.00 0.00 177.39 176.76 2kts h LYS 87 N 0.00 -0.26 0.00 3.23 6.56 -0.80 0.22 116.57 125.53 2kts h LYS 87 Ca -0.21 0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.29 2kts h LYS 87 Cb 1.35 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 33.05 2kts h LYS 87 CO 0.01 0.13 -0.52 0.93 -2.06 0.00 0.00 179.45 177.94 2kts h GLU 88 N -0.91 0.00 0.00 3.15 5.08 -1.52 -3.45 114.58 116.93 2kts h GLU 88 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kts h GLU 88 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kts h GLU 88 CO 0.04 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 2kts n GLY 89 N 0.30 2.16 3.74 -3.84 0.00 -1.24 -5.03 105.19 101.28 2kts n GLY 89 Ca -0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 3.72 0.30 4.61 0.00 -0.11 -4.79 121.76 125.50 2kts s ALA 90 Ca 0.00 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 2kts s ALA 90 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 2kts s ALA 90 CO 0.00 -0.88 1.11 -0.65 0.00 0.00 0.00 175.76 175.34 2kts s GLN 91 N -0.17 4.54 -0.09 0.00 -1.52 0.06 -0.35 119.66 122.12 2kts s GLN 91 Ca 0.63 1.79 -0.01 0.00 -1.95 0.00 0.00 55.36 55.83 2kts s GLN 91 Cb -0.46 -3.08 0.03 0.00 -0.22 0.00 0.00 33.01 29.28 2kts s GLN 91 CO 0.43 0.12 -0.04 0.54 -0.25 0.00 0.00 175.29 176.10 2kts s VAL 92 N -1.23 0.68 -0.36 1.09 0.11 -1.08 -2.93 120.40 116.67 2kts s VAL 92 Ca 0.47 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2kts s VAL 92 Cb -0.31 -0.77 0.14 0.00 -1.53 0.00 0.00 36.38 33.91 2kts s VAL 92 CO 0.40 0.31 0.25 -1.81 -3.33 0.00 0.00 175.10 170.92 2kts s ASP 93 N 1.82 2.49 -0.41 3.54 1.01 -0.36 -4.74 116.67 120.02 2kts s ASP 93 Ca 0.04 -2.02 -0.16 0.00 0.71 0.00 0.00 52.55 51.12 2kts s ASP 93 Cb -0.12 -0.14 0.02 0.00 1.01 0.00 0.00 42.92 43.69 2kts s ASP 93 CO -0.06 -0.30 0.39 -0.22 0.21 0.00 0.00 175.17 175.19 2kts s LEU 94 N 1.18 4.91 0.00 1.23 1.98 -1.26 -0.41 118.68 126.31 2kts s LEU 94 Ca 0.18 -0.72 0.00 0.00 -2.89 0.00 0.00 54.13 50.70 2kts s LEU 94 Cb -0.21 -2.31 0.00 0.00 0.66 0.00 0.00 46.19 44.33 2kts s LEU 94 CO -0.00 -0.52 0.00 0.41 -1.89 0.00 0.00 176.35 174.34 2kts n THR 95 N 5.34 0.00 0.15 3.68 -1.04 -0.03 -4.60 114.28 117.78 2kts n THR 95 Ca -0.09 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.94 2kts n THR 95 Cb 0.47 -1.69 0.08 0.00 -1.82 0.00 0.00 70.33 67.37 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts n ALA 96 N -3.00 1.28 -0.61 2.41 0.00 -1.26 -4.06 120.51 115.28 2kts n ALA 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kts n ALA 96 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2kts n ALA 96 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kts n ASN 97 N -1.36 0.00 -4.24 0.00 0.23 -1.26 -5.13 115.26 103.50 2kts n ASN 97 Ca 0.01 -0.30 -0.31 0.00 -0.53 0.00 0.00 54.58 53.44 2kts n ASN 97 Cb 0.03 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.56 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 2.77 -0.33 -3.83 0.74 -1.26 -3.14 119.66 114.61 2kts s GLN 98 Ca 0.00 -0.88 -0.13 0.00 0.05 0.00 0.00 55.36 54.40 2kts s GLN 98 Cb 0.00 -2.20 -0.02 0.00 1.10 0.00 0.00 33.01 31.88 2kts s GLN 98 CO 0.00 0.27 0.28 -1.17 -0.55 0.00 0.00 175.29 174.12 2kts s LEU 99 N 0.11 4.40 -0.30 3.68 0.20 -0.55 -0.85 118.68 125.37 2kts s LEU 99 Ca -0.11 -0.27 -0.18 0.00 0.69 0.00 0.00 54.13 54.26 2kts s LEU 99 Cb -0.16 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 2kts s LEU 99 CO 0.06 -0.24 0.50 -0.89 -0.29 0.00 0.00 176.35 175.50 2kts s THR 100 N 1.84 5.05 -0.22 3.68 2.01 0.46 -1.42 115.64 127.04 2kts s THR 100 Ca 0.08 0.60 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 2kts s THR 100 Cb -0.17 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2kts s THR 100 CO 0.11 -0.05 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.20 2kts s LEU 101 N 2.33 2.96 0.06 4.42 2.01 -0.96 -1.22 118.68 128.28 2kts s LEU 101 Ca 0.19 -0.36 0.08 0.00 0.01 0.00 0.00 54.13 54.05 2kts s LEU 101 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 46.19 44.26 2kts s LEU 101 CO 0.11 -0.02 -0.22 0.00 1.01 0.00 0.00 176.35 177.24 2kts s ALA 102 N 1.46 1.87 0.30 4.21 0.00 -1.15 -0.75 121.76 127.70 2kts s ALA 102 Ca 0.05 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 2kts s ALA 102 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2kts s ALA 102 CO -0.02 0.42 0.51 0.99 0.00 0.00 0.00 175.76 177.65 2kts s THR 103 N -0.87 0.00 0.54 0.00 2.01 -0.42 -0.76 115.64 116.14 2kts s THR 103 Ca 0.08 -1.45 0.31 0.00 0.31 0.00 0.00 61.69 60.94 2kts s THR 103 Cb -0.09 -2.47 0.47 0.00 0.01 0.00 0.00 72.50 70.41 2kts s THR 103 CO 0.02 0.00 1.89 0.00 -0.69 0.00 0.00 174.62 175.85 2kts h ALA 104 N 2.17 2.76 -1.10 7.40 0.00 -1.96 -3.06 119.26 125.46 2kts h ALA 104 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kts h ALA 104 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kts h ALA 104 CO 0.38 -1.04 0.00 1.63 0.00 0.00 0.00 179.25 180.22 2kts n LYS 105 N -4.20 0.00 -4.17 0.00 5.02 -1.26 -5.09 118.16 108.45 2kts n LYS 105 Ca 0.17 0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 56.60 2kts n LYS 105 Cb 0.91 -0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 35.07 2kts n LYS 105 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kts s GLN 106 N -0.63 1.76 0.01 1.97 -0.21 -1.16 -5.17 119.66 116.23 2kts s GLN 106 Ca 0.00 -1.83 0.04 0.00 0.02 0.00 0.00 55.36 53.60 2kts s GLN 106 Cb 0.00 0.38 -0.01 0.00 1.00 0.00 0.00 33.01 34.38 2kts s GLN 106 CO 0.00 -0.69 -0.13 -0.08 -2.12 0.00 0.00 175.29 172.27 2kts s THR 107 N -3.36 1.02 0.23 -0.19 -1.32 -1.26 -1.30 115.64 109.46 2kts s THR 107 Ca 0.35 -0.71 0.07 0.00 -1.21 0.00 0.00 61.69 60.19 2kts s THR 107 Cb 0.01 -0.88 -0.05 0.00 -1.51 0.00 0.00 72.50 70.07 2kts s THR 107 CO 0.22 0.16 -0.11 -0.76 -2.21 0.00 0.00 174.62 171.92 2kts s LEU 108 N -0.63 2.51 -0.21 9.08 1.02 0.07 -2.83 118.68 127.69 2kts s LEU 108 Ca 0.03 -1.09 -0.02 0.00 0.02 0.00 0.00 54.13 53.08 2kts s LEU 108 Cb -0.06 -0.63 0.06 0.00 0.02 0.00 0.00 46.19 45.58 2kts s LEU 108 CO 0.00 -0.25 0.00 -0.89 0.02 0.00 0.00 176.35 175.24 2kts s THR 109 N -3.02 0.87 0.35 5.49 2.01 -0.94 -2.26 115.64 118.14 2kts s THR 109 Ca 0.25 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.51 2kts s THR 109 Cb 0.01 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2kts s THR 109 CO 0.08 -0.17 0.50 -0.31 -0.69 0.00 0.00 174.62 174.04 2kts s TYR 110 N 1.70 3.21 -0.02 4.92 1.51 -0.51 -2.63 117.35 125.53 2kts s TYR 110 Ca -0.03 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 2kts s TYR 110 Cb -0.18 -2.00 -0.00 0.00 -0.11 0.00 0.00 41.96 39.67 2kts s TYR 110 CO -0.07 -0.02 -0.11 0.21 -1.11 0.00 0.00 175.55 174.45 2kts s LYS 111 N -4.24 1.04 -0.62 -0.62 2.36 -0.13 -1.48 119.74 116.06 2kts s LYS 111 Ca 0.44 -0.39 -0.10 0.00 -2.55 0.00 0.00 55.97 53.37 2kts s LYS 111 Cb -0.10 -0.97 -0.09 0.00 -1.05 0.00 0.00 37.83 35.62 2kts s LYS 111 CO 0.33 0.19 1.79 -0.11 1.55 0.00 0.00 175.35 179.10 2kts n LEU 112 N 3.06 3.41 -4.46 5.43 7.94 -1.19 -1.69 117.00 129.49 2kts n LEU 112 Ca -0.16 -2.38 -0.44 0.00 -1.11 0.00 0.00 56.01 51.92 2kts n LEU 112 Cb 0.55 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.57 2kts n LEU 112 CO 0.25 -0.18 1.49 0.00 -1.11 0.00 0.00 177.39 177.83 2kts n ALA 113 N 5.42 3.88 0.87 1.96 0.00 -1.26 -4.86 120.51 126.51 2kts n ALA 113 Ca 0.36 -4.20 0.01 0.00 0.00 0.00 0.00 53.44 49.61 2kts n ALA 113 Cb 0.18 -3.12 0.05 0.00 0.00 0.00 0.00 19.45 16.56 2kts n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kts n ASP 114 N 5.93 1.46 -1.13 0.00 2.03 -1.26 -4.59 116.55 118.98 2kts n ASP 114 Ca 0.38 -2.10 -0.15 0.00 0.52 0.00 0.00 54.79 53.45 2kts n ASP 114 Cb 0.43 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.04 -0.79 -3.75 -2.67 4.77 -1.26 -4.78 117.00 108.57 2kts n LEU 115 Ca 0.03 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 2kts n LEU 115 Cb 0.34 -2.75 -0.10 0.00 -2.33 0.00 0.00 43.42 38.57 2kts n LEU 115 CO 0.04 -1.06 0.03 -0.32 -1.33 0.00 0.00 177.39 174.74 2kts s MET 116 N -3.25 0.52 0.00 3.23 1.75 -1.26 -5.24 119.30 115.05 2kts s MET 116 Ca 0.00 0.24 0.09 0.00 -1.25 0.00 0.00 55.69 54.77 2kts s MET 116 Cb 0.00 0.24 0.55 0.00 2.84 0.00 0.00 34.83 38.46 2kts s MET 116 CO 0.00 -0.10 1.00 0.09 -0.65 0.00 0.00 175.02 175.35