#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m h THR 2 N 0.00 1.42 -2.63 0.00 2.02 -2.01 -3.49 112.91 108.22 1k9m h THR 2 Ca 0.00 -1.91 -0.06 0.00 0.77 0.00 0.00 66.41 65.22 1k9m h THR 2 Cb 0.00 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1k9m h THR 2 CO 0.00 0.55 0.06 0.61 0.37 0.00 0.00 175.52 177.12 1k9m n GLY 3 N 0.88 1.91 0.26 2.16 0.00 -1.26 -5.01 105.19 104.13 1k9m n GLY 3 Ca -0.09 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1k9m n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k9m h PRO 4 N 0.00 0.00 -0.00 1.61 0.11 -2.08 -2.31 132.00 129.33 1k9m h PRO 4 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1k9m h PRO 4 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1k9m h PRO 4 CO 0.19 0.12 -0.63 -2.13 -0.21 0.00 0.00 178.00 175.34 1k9m n ARG 5 N -3.58 0.15 -1.89 1.05 0.63 -1.26 -4.95 116.66 106.81 1k9m n ARG 5 Ca -0.02 -0.10 -0.40 0.00 -0.92 0.00 0.00 57.85 56.41 1k9m n ARG 5 Cb 0.25 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1k9m n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1k9m s TYR 6 N -2.92 2.63 -0.34 -0.14 5.04 -0.87 -4.99 117.35 115.75 1k9m s TYR 6 Ca 0.12 1.29 -0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1k9m s TYR 6 Cb 0.17 -3.86 0.04 0.00 0.35 0.00 0.00 41.96 38.66 1k9m s TYR 6 CO 0.73 -2.65 0.12 0.21 -1.34 0.00 0.00 175.55 172.62 1k9m s LYS 7 N -2.26 2.64 -0.19 4.97 2.47 -1.26 -4.76 119.74 121.35 1k9m s LYS 7 Ca 0.57 -1.17 -0.17 0.00 -1.56 0.00 0.00 55.97 53.64 1k9m s LYS 7 Cb -0.43 -3.49 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 1k9m s LYS 7 CO 0.56 -0.67 0.44 0.08 0.16 0.00 0.00 175.35 175.92 1k9m s VAL 8 N 1.42 5.17 1.12 4.02 1.01 -1.26 -5.02 120.40 126.86 1k9m s VAL 8 Ca -0.01 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 1k9m s VAL 8 Cb -0.19 -3.77 0.26 0.00 0.00 0.00 0.00 36.38 32.68 1k9m s VAL 8 CO 0.03 0.24 1.05 -2.84 0.00 0.00 0.00 175.10 173.59 1k9m s PRO 9 N 1.31 -0.60 0.59 2.72 0.02 -1.26 -4.94 135.00 132.83 1k9m s PRO 9 Ca 0.21 1.03 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 1k9m s PRO 9 Cb -0.15 -1.58 -0.04 0.00 0.02 0.00 0.00 34.50 32.76 1k9m s PRO 9 CO 0.09 -3.57 1.21 -1.64 -0.33 0.00 0.00 177.00 172.76 1k9m s MET 10 N -4.47 2.98 0.18 5.54 -1.94 -1.26 -4.74 119.30 115.60 1k9m s MET 10 Ca 0.68 1.83 -0.20 0.00 -1.71 0.00 0.00 55.69 56.29 1k9m s MET 10 Cb -0.25 -1.93 0.11 0.00 2.01 0.00 0.00 34.83 34.77 1k9m s MET 10 CO 0.64 -1.20 1.61 -0.09 -0.01 0.00 0.00 175.02 175.97 1k9m h ARG 11 N 0.90 -0.16 0.00 2.03 2.43 -2.00 0.25 114.38 117.84 1k9m h ARG 11 Ca -0.50 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1k9m h ARG 11 Cb 1.30 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1k9m h ARG 11 CO 0.55 -0.10 0.00 0.54 -1.51 0.00 0.00 179.97 179.45 1k9m n ARG 12 N -5.42 0.29 -0.09 0.20 1.74 -1.26 -1.04 116.66 111.08 1k9m n ARG 12 Ca 0.03 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 1k9m n ARG 12 Cb 0.33 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.14 1k9m n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1k9m n ARG 13 N -1.04 1.04 -0.02 5.56 3.00 0.76 -1.35 116.66 124.61 1k9m n ARG 13 Ca 0.07 0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.82 1k9m n ARG 13 Cb 0.04 -1.44 -0.07 0.00 0.00 0.00 0.00 32.46 30.99 1k9m n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k9m h ARG 14 N 0.00 0.15 0.00 -0.14 3.08 0.33 -1.91 114.38 115.89 1k9m h ARG 14 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1k9m h ARG 14 Cb 2.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1k9m h ARG 14 CO 0.00 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 179.63 1k9m n GLU 15 N -4.88 0.11 -3.81 0.04 1.02 -0.53 -4.84 120.64 107.75 1k9m n GLU 15 Ca -0.06 0.22 -0.27 0.00 -0.02 0.00 0.00 57.16 57.04 1k9m n GLU 15 Cb 0.15 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.11 1k9m n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k9m n ALA 16 N -1.32 -1.49 -0.05 0.62 0.00 -0.72 -4.89 120.51 112.66 1k9m n ALA 16 Ca 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1k9m n ALA 16 Cb 0.08 -3.92 -0.06 0.00 0.00 0.00 0.00 19.45 15.55 1k9m n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k9m n ARG 17 N -4.61 1.37 -4.93 0.00 1.74 -0.97 -5.01 116.66 104.25 1k9m n ARG 17 Ca -0.06 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 1k9m n ARG 17 Cb 0.57 -1.22 -0.16 0.00 -1.02 0.00 0.00 32.46 30.63 1k9m n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1k9m s THR 18 N -2.22 2.36 -0.56 0.55 2.01 -0.46 -4.73 115.64 112.60 1k9m s THR 18 Ca -0.10 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 1k9m s THR 18 Cb 0.03 -1.95 0.09 0.00 0.01 0.00 0.00 72.50 70.68 1k9m s THR 18 CO 0.30 0.54 0.68 -0.62 -0.69 0.00 0.00 174.62 174.83 1k9m s ASP 19 N 0.49 6.20 0.47 3.53 -1.08 -1.26 -4.53 116.67 120.49 1k9m s ASP 19 Ca -0.13 -1.25 0.26 0.00 -0.52 0.00 0.00 52.55 50.91 1k9m s ASP 19 Cb -0.17 -2.30 1.10 0.00 -1.46 0.00 0.00 42.92 40.09 1k9m s ASP 19 CO 0.05 -1.04 1.90 1.88 0.52 0.00 0.00 175.17 178.49 1k9m h TYR 20 N 9.12 0.00 -0.14 -5.34 -1.99 -1.97 -0.60 116.97 116.05 1k9m h TYR 20 Ca -0.29 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.26 1k9m h TYR 20 Cb 1.09 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.83 1k9m h TYR 20 CO 0.80 0.19 -0.64 0.45 -0.00 0.00 0.00 178.16 178.96 1k9m h HIS 21 N 0.00 0.91 -0.45 4.88 3.86 -2.00 -2.40 115.15 119.95 1k9m h HIS 21 Ca -0.00 -0.40 -0.10 0.00 -1.16 0.00 0.00 60.37 58.71 1k9m h HIS 21 Cb 0.62 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1k9m h HIS 21 CO 0.00 1.21 -0.10 0.37 0.86 0.00 0.00 177.93 180.27 1k9m h GLN 22 N 0.36 0.86 -0.38 2.45 4.15 -1.94 -2.96 115.11 117.64 1k9m h GLN 22 Ca -0.04 -0.33 0.08 0.00 0.77 0.00 0.00 58.65 59.13 1k9m h GLN 22 Cb 1.28 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.83 1k9m h GLN 22 CO 0.13 0.96 -0.19 -0.09 -1.93 0.00 0.00 178.83 177.71 1k9m h ARG 23 N 0.70 -0.12 0.42 1.69 2.43 -0.99 0.59 114.38 119.10 1k9m h ARG 23 Ca 0.11 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1k9m h ARG 23 Cb 0.64 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1k9m h ARG 23 CO 0.04 -0.08 -0.39 1.25 -1.51 0.00 0.00 179.97 179.29 1k9m h LEU 24 N -0.13 -1.04 -1.04 3.80 5.85 -1.41 0.68 115.31 122.02 1k9m h LEU 24 Ca 0.19 0.08 0.23 0.00 0.84 0.00 0.00 57.88 59.23 1k9m h LEU 24 Cb 0.42 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 1k9m h LEU 24 CO -0.46 -0.54 0.61 0.03 -0.34 0.00 0.00 178.44 177.73 1k9m h ARG 25 N -0.82 0.59 -0.23 1.25 -0.00 -1.17 0.05 114.38 114.04 1k9m h ARG 25 Ca -0.04 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.39 1k9m h ARG 25 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 1k9m h ARG 25 CO -0.04 0.39 0.09 -0.07 0.00 0.00 0.00 179.97 180.34 1k9m h LEU 26 N 0.61 0.33 -0.19 3.04 4.07 0.30 -2.65 115.31 120.82 1k9m h LEU 26 Ca 0.63 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1k9m h LEU 26 Cb 1.18 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1k9m h LEU 26 CO -0.44 0.41 0.00 0.18 -1.08 0.00 0.00 178.44 177.51 1k9m n LEU 27 N -4.79 0.12 -0.17 1.67 4.77 0.11 -2.93 117.00 115.77 1k9m n LEU 27 Ca -0.03 0.54 -0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1k9m n LEU 27 Cb 0.13 -0.53 0.15 0.00 -2.33 0.00 0.00 43.42 40.83 1k9m n LEU 27 CO 0.35 -0.42 0.97 0.11 -1.33 0.00 0.00 177.39 177.07 1k9m h LYS 28 N 0.00 0.93 0.00 3.23 1.79 -1.02 -2.46 116.57 119.05 1k9m h LYS 28 Ca 0.00 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1k9m h LYS 28 Cb 0.16 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1k9m h LYS 28 CO 0.00 0.83 -0.03 0.66 -1.08 0.00 0.00 179.45 179.83 1k9m h SER 29 N 0.89 0.00 0.00 0.86 4.64 -1.69 -3.45 113.55 114.80 1k9m h SER 29 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1k9m h SER 29 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1k9m h SER 29 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1k9m n GLY 30 N -1.24 0.39 3.95 -0.77 0.00 -0.93 -5.00 105.19 101.59 1k9m n GLY 30 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1k9m n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m s LYS 31 N -0.55 2.80 0.60 1.61 1.02 -1.26 -5.09 119.74 118.88 1k9m s LYS 31 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.55 1k9m s LYS 31 Cb 0.00 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1k9m s LYS 31 CO 0.00 -0.12 1.09 -2.14 -0.92 0.00 0.00 175.35 173.26 1k9m s PRO 32 N -4.20 3.15 -0.11 -1.68 0.02 -1.25 -4.81 135.00 126.12 1k9m s PRO 32 Ca 0.49 1.35 -0.06 0.00 0.02 0.00 0.00 61.00 62.80 1k9m s PRO 32 Cb -0.07 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1k9m s PRO 32 CO 0.30 -0.97 0.12 1.03 -0.33 0.00 0.00 177.00 177.15 1k9m s ARG 33 N -3.90 3.37 -0.74 5.54 0.52 0.52 -1.33 118.95 122.92 1k9m s ARG 33 Ca 0.67 -0.17 -0.14 0.00 -0.52 0.00 0.00 55.73 55.56 1k9m s ARG 33 Cb -0.19 -3.13 0.19 0.00 0.52 0.00 0.00 34.95 32.34 1k9m s ARG 33 CO 0.36 0.77 0.68 -1.17 0.02 0.00 0.00 175.30 175.96 1k9m s LEU 34 N -1.01 6.53 -0.32 2.53 2.96 0.54 -0.19 118.68 129.72 1k9m s LEU 34 Ca 0.15 -2.47 -0.29 0.00 -0.22 0.00 0.00 54.13 51.30 1k9m s LEU 34 Cb -0.12 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1k9m s LEU 34 CO 0.04 -0.63 1.44 -0.69 -1.32 0.00 0.00 176.35 175.19 1k9m s VAL 35 N 0.51 3.92 -0.38 1.68 1.01 0.18 -1.76 120.40 125.56 1k9m s VAL 35 Ca 0.14 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.04 1k9m s VAL 35 Cb -0.16 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1k9m s VAL 35 CO -0.06 -0.53 0.18 0.00 0.00 0.00 0.00 175.10 174.70 1k9m s ALA 36 N 5.08 3.18 0.18 5.51 0.00 -0.39 -1.26 121.76 134.05 1k9m s ALA 36 Ca 0.63 -1.92 0.10 0.00 0.00 0.00 0.00 51.96 50.76 1k9m s ALA 36 Cb -0.18 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1k9m s ALA 36 CO 0.28 -1.48 -0.21 1.03 0.00 0.00 0.00 175.76 175.38 1k9m s ARG 37 N 1.43 1.37 0.29 0.00 1.81 -0.43 -4.53 118.95 118.89 1k9m s ARG 37 Ca 0.01 -1.45 0.06 0.00 -1.72 0.00 0.00 55.73 52.63 1k9m s ARG 37 Cb -0.21 -1.54 -0.06 0.00 -0.45 0.00 0.00 34.95 32.69 1k9m s ARG 37 CO 0.03 0.32 -0.03 0.15 -0.68 0.00 0.00 175.30 175.09 1k9m s LYS 38 N -2.72 1.56 0.09 3.54 1.02 -1.26 -0.95 119.74 121.02 1k9m s LYS 38 Ca 0.18 -1.81 -0.05 0.00 0.02 0.00 0.00 55.97 54.31 1k9m s LYS 38 Cb -0.07 -1.07 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 1k9m s LYS 38 CO 0.08 -0.02 0.10 0.45 -0.92 0.00 0.00 175.35 175.04 1k9m s SER 39 N -3.45 0.27 0.25 2.83 0.15 0.65 -4.93 113.70 109.49 1k9m s SER 39 Ca 0.31 -0.91 -0.03 0.00 0.70 0.00 0.00 55.95 56.02 1k9m s SER 39 Cb 0.05 0.30 0.49 0.00 -1.71 0.00 0.00 66.02 65.15 1k9m s SER 39 CO 0.12 -0.71 1.75 0.78 1.20 0.00 0.00 173.24 176.39 1k9m h ASN 40 N 2.88 0.45 0.00 5.45 2.35 -2.01 -3.11 115.58 121.60 1k9m h ASN 40 Ca -0.34 0.09 -0.27 0.00 -0.55 0.00 0.00 56.30 55.23 1k9m h ASN 40 Cb 1.18 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.53 1k9m h ASN 40 CO 0.59 0.19 -2.23 0.29 -1.65 0.00 0.00 177.43 174.62 1k9m n LYS 41 N -4.91 0.83 -4.43 0.81 5.02 -1.26 -4.71 118.16 109.52 1k9m n LYS 41 Ca 0.16 -0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 1k9m n LYS 41 Cb 0.41 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1k9m n LYS 41 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k9m n HIS 42 N -2.60 0.78 -3.68 2.13 8.25 -1.18 -1.88 115.22 117.03 1k9m n HIS 42 Ca -0.25 -2.39 -0.15 0.00 -0.26 0.00 0.00 57.72 54.67 1k9m n HIS 42 Cb 1.00 -0.21 -0.15 0.00 1.12 0.00 0.00 29.99 31.75 1k9m n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k9m s VAL 43 N -2.81 -0.24 0.10 1.59 1.01 -1.26 -0.25 120.40 118.54 1k9m s VAL 43 Ca 0.07 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.41 1k9m s VAL 43 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1k9m s VAL 43 CO 0.05 0.13 -0.05 -0.60 0.00 0.00 0.00 175.10 174.62 1k9m s ARG 44 N 2.06 2.33 -0.14 2.72 3.52 -0.12 -0.77 118.95 128.55 1k9m s ARG 44 Ca -0.00 -0.94 -0.04 0.00 -0.13 0.00 0.00 55.73 54.62 1k9m s ARG 44 Cb -0.12 -2.42 0.07 0.00 -1.56 0.00 0.00 34.95 30.92 1k9m s ARG 44 CO -0.06 0.52 0.24 0.00 -0.81 0.00 0.00 175.30 175.18 1k9m s ALA 45 N -1.27 -0.43 0.18 6.12 0.00 -0.17 -1.31 121.76 124.88 1k9m s ALA 45 Ca 0.24 0.72 0.09 0.00 0.00 0.00 0.00 51.96 53.01 1k9m s ALA 45 Cb -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1k9m s ALA 45 CO 0.16 -0.76 -0.20 -0.65 0.00 0.00 0.00 175.76 174.32 1k9m s GLN 46 N 2.38 1.36 -0.39 0.00 -0.21 -0.39 -0.27 119.66 122.14 1k9m s GLN 46 Ca 0.03 -1.46 0.03 0.00 0.02 0.00 0.00 55.36 53.97 1k9m s GLN 46 Cb -0.13 -1.48 0.11 0.00 1.00 0.00 0.00 33.01 32.51 1k9m s GLN 46 CO -0.09 0.30 0.12 -0.51 -2.12 0.00 0.00 175.29 172.99 1k9m s LEU 47 N -2.74 4.78 -0.06 2.90 1.43 0.37 0.52 118.68 125.88 1k9m s LEU 47 Ca 0.18 -2.31 -0.05 0.00 -1.03 0.00 0.00 54.13 50.92 1k9m s LEU 47 Cb -0.06 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1k9m s LEU 47 CO 0.08 -0.38 0.18 -0.69 0.23 0.00 0.00 176.35 175.77 1k9m s VAL 48 N 0.70 5.44 0.36 -1.59 1.01 0.73 -1.92 120.40 125.14 1k9m s VAL 48 Ca 0.12 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.25 1k9m s VAL 48 Cb -0.21 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1k9m s VAL 48 CO -0.06 0.47 -0.05 0.28 0.00 0.00 0.00 175.10 175.74 1k9m s THR 49 N -1.18 2.25 0.14 3.92 -1.32 -0.03 -0.36 115.64 119.06 1k9m s THR 49 Ca 0.22 -2.12 -0.22 0.00 -1.21 0.00 0.00 61.69 58.36 1k9m s THR 49 Cb -0.12 -2.75 -0.07 0.00 -1.51 0.00 0.00 72.50 68.04 1k9m s THR 49 CO 0.12 -0.16 0.68 -0.22 -2.21 0.00 0.00 174.62 172.83 1k9m s LEU 50 N -3.65 4.53 0.19 9.08 2.96 -1.26 -0.78 118.68 129.74 1k9m s LEU 50 Ca 0.34 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.68 1k9m s LEU 50 Cb 0.04 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1k9m s LEU 50 CO 0.17 0.21 0.10 -0.83 -1.32 0.00 0.00 176.35 174.68 1k9m s GLY 51 N -1.22 1.36 0.39 7.98 0.00 -0.91 -4.76 107.32 110.16 1k9m s GLY 51 Ca 0.34 -1.66 0.06 0.00 0.00 0.00 0.00 44.72 43.46 1k9m s GLY 51 CO 0.22 -1.43 2.02 -2.55 0.00 0.00 0.00 173.10 171.36 1k9m h PRO 52 N 2.65 0.53 0.00 2.90 0.11 -1.98 -3.09 132.00 133.12 1k9m h PRO 52 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1k9m h PRO 52 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1k9m h PRO 52 CO 0.56 0.40 -0.03 0.09 -0.21 0.00 0.00 178.00 178.81 1k9m n ASN 53 N -4.43 1.77 0.00 -2.05 3.02 -1.26 -5.10 115.26 107.22 1k9m n ASN 53 Ca 0.03 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1k9m n ASN 53 Cb 0.10 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1k9m n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k9m n GLY 54 N -0.71 1.49 3.73 7.41 0.00 -1.17 -5.12 105.19 110.83 1k9m n GLY 54 Ca 0.05 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1k9m n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9m s ASP 55 N 0.00 4.47 -0.19 1.61 1.01 -1.26 -2.13 116.67 120.17 1k9m s ASP 55 Ca 0.00 2.29 0.01 0.00 0.71 0.00 0.00 52.55 55.56 1k9m s ASP 55 Cb 0.00 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.38 1k9m s ASP 55 CO 0.00 -2.07 -0.14 -1.81 0.21 0.00 0.00 175.17 171.36 1k9m s ASP 56 N -2.10 3.35 -0.38 0.27 1.01 0.04 -4.84 116.67 114.02 1k9m s ASP 56 Ca 0.73 -0.82 -0.23 0.00 0.71 0.00 0.00 52.55 52.94 1k9m s ASP 56 Cb -0.28 -1.35 0.01 0.00 1.01 0.00 0.00 42.92 42.32 1k9m s ASP 56 CO 0.43 -0.09 0.77 -0.89 0.21 0.00 0.00 175.17 175.60 1k9m s THR 57 N 1.34 4.73 -0.33 -1.27 2.01 -1.26 -0.85 115.64 120.00 1k9m s THR 57 Ca 0.01 0.76 0.23 0.00 0.31 0.00 0.00 61.69 62.99 1k9m s THR 57 Cb -0.15 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.16 1k9m s THR 57 CO -0.10 -0.49 1.12 -0.07 -0.69 0.00 0.00 174.62 174.40 1k9m h LEU 58 N 9.80 0.00 -7.00 4.42 4.07 -1.77 -3.48 115.31 121.35 1k9m h LEU 58 Ca -0.25 -0.05 0.03 0.00 0.08 0.00 0.00 57.88 57.69 1k9m h LEU 58 Cb 1.09 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.60 1k9m h LEU 58 CO 0.92 0.03 0.26 0.00 -1.08 0.00 0.00 178.44 178.56 1k9m s ALA 59 N -3.32 -1.94 0.15 1.53 0.00 -1.24 -4.89 121.76 112.05 1k9m s ALA 59 Ca 0.01 2.08 -0.08 0.00 0.00 0.00 0.00 51.96 53.97 1k9m s ALA 59 Cb 0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1k9m s ALA 59 CO 0.77 -0.31 0.25 -1.54 0.00 0.00 0.00 175.76 174.93 1k9m s SER 60 N 0.72 0.08 -0.17 0.00 1.04 -1.26 -0.48 113.70 113.63 1k9m s SER 60 Ca -0.02 -0.87 -0.12 0.00 0.48 0.00 0.00 55.95 55.42 1k9m s SER 60 Cb -0.05 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1k9m s SER 60 CO -0.08 -0.85 0.42 0.00 0.98 0.00 0.00 173.24 173.71 1k9m s ALA 61 N -3.96 -1.07 -0.04 5.32 0.00 0.63 -4.57 121.76 118.08 1k9m s ALA 61 Ca 0.16 1.39 0.07 0.00 0.00 0.00 0.00 51.96 53.58 1k9m s ALA 61 Cb 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1k9m s ALA 61 CO -0.01 -0.24 -0.25 -1.58 0.00 0.00 0.00 175.76 173.68 1k9m s HIS 62 N 0.85 2.40 0.38 0.00 2.46 -1.26 -1.00 115.29 119.11 1k9m s HIS 62 Ca -0.05 -0.52 0.31 0.00 0.47 0.00 0.00 55.06 55.27 1k9m s HIS 62 Cb -0.06 -1.54 1.68 0.00 -0.13 0.00 0.00 32.58 32.52 1k9m s HIS 62 CO -0.07 -0.09 1.93 0.66 -2.47 0.00 0.00 174.74 174.71 1k9m h SER 63 N 5.68 0.00 0.24 9.88 4.64 -1.29 -2.67 113.55 130.03 1k9m h SER 63 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1k9m h SER 63 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1k9m h SER 63 CO 0.47 0.00 -0.11 0.77 -0.87 0.00 0.00 176.83 177.09 1k9m h SER 64 N 0.00 -0.27 0.00 4.97 4.64 -1.92 -3.08 113.55 117.89 1k9m h SER 64 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1k9m h SER 64 Cb 0.28 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1k9m h SER 64 CO 0.00 0.23 0.00 -0.90 -0.87 0.00 0.00 176.83 175.29 1k9m n ASP 65 N -5.00 1.10 0.04 4.97 5.75 -1.01 -2.28 116.55 120.12 1k9m n ASP 65 Ca -0.07 -0.98 -0.18 0.00 -0.01 0.00 0.00 54.79 53.55 1k9m n ASP 65 Cb 0.25 -0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 1k9m n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1k9m h LEU 66 N 1.13 0.38 -1.73 -2.12 5.85 -1.59 -3.31 115.31 113.91 1k9m h LEU 66 Ca 0.00 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.11 1k9m h LEU 66 Cb 0.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1k9m h LEU 66 CO 0.00 1.54 0.22 0.00 -0.34 0.00 0.00 178.44 179.86 1k9m h ALA 67 N 0.40 1.86 0.00 1.25 0.00 -1.66 -0.48 119.26 120.63 1k9m h ALA 67 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1k9m h ALA 67 Cb 2.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1k9m h ALA 67 CO 0.13 0.11 0.19 -1.91 0.00 0.00 0.00 179.25 177.77 1k9m n GLU 68 N -4.49 0.02 -0.01 0.00 2.13 -1.25 0.75 120.64 117.80 1k9m n GLU 68 Ca 0.03 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1k9m n GLU 68 Cb 0.13 -1.76 0.01 0.00 0.27 0.00 0.00 31.44 30.09 1k9m n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1k9m n TYR 69 N -1.48 0.01 0.00 4.31 4.02 -0.19 -4.98 117.16 118.84 1k9m n TYR 69 Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1k9m n TYR 69 Cb 0.20 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1k9m n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k9m n GLY 70 N -0.20 1.65 3.69 2.72 0.00 0.23 -4.99 105.19 108.28 1k9m n GLY 70 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1k9m n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k9m s TRP 71 N -2.00 3.50 -0.08 1.61 -0.11 -1.18 -4.90 118.94 115.77 1k9m s TRP 71 Ca 0.00 1.33 0.11 0.00 1.22 0.00 0.00 56.10 58.76 1k9m s TRP 71 Cb 0.00 -2.98 0.17 0.00 -1.50 0.00 0.00 33.47 29.16 1k9m s TRP 71 CO 0.00 -0.12 1.06 -1.91 -4.62 0.00 0.00 176.95 171.36 1k9m n GLU 72 N 4.67 1.23 -4.48 5.86 2.13 -1.26 -4.37 120.64 124.43 1k9m n GLU 72 Ca 0.03 -1.99 -0.26 0.00 0.66 0.00 0.00 57.16 55.60 1k9m n GLU 72 Cb 0.50 -1.17 -0.10 0.00 0.27 0.00 0.00 31.44 30.94 1k9m n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k9m s ALA 73 N -1.87 3.20 1.02 4.31 0.00 -1.26 -4.36 121.76 122.81 1k9m s ALA 73 Ca 0.19 -2.18 -0.17 0.00 0.00 0.00 0.00 51.96 49.81 1k9m s ALA 73 Cb 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1k9m s ALA 73 CO 0.02 -0.06 -0.02 -2.30 0.00 0.00 0.00 175.76 173.40 1k9m n PRO 74 N -0.98 -0.74 0.00 0.00 -0.02 -1.26 -4.95 135.00 127.05 1k9m n PRO 74 Ca -0.04 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1k9m n PRO 74 Cb 0.65 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1k9m n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1k9m n THR 75 N -3.79 0.51 -1.69 3.45 -2.24 -1.26 -4.75 114.28 104.51 1k9m n THR 75 Ca 0.03 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.82 1k9m n THR 75 Cb 0.59 0.80 0.05 0.00 -2.10 0.00 0.00 70.33 69.67 1k9m n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k9m n GLY 76 N -0.25 6.14 3.47 3.38 0.00 -0.79 -3.98 105.19 113.15 1k9m n GLY 76 Ca 0.00 -2.49 -0.23 0.00 0.00 0.00 0.00 46.02 43.30 1k9m n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m s ASN 77 N -2.70 2.47 0.16 1.61 2.20 -1.26 -4.97 114.94 112.43 1k9m s ASN 77 Ca 0.58 -1.48 -0.21 0.00 -0.94 0.00 0.00 52.86 50.80 1k9m s ASN 77 Cb 0.46 0.15 0.05 0.00 -2.00 0.00 0.00 41.25 39.91 1k9m s ASN 77 CO 0.01 -0.73 1.63 0.24 -2.94 0.00 0.00 177.10 175.31 1k9m h MET 78 N 2.01 -0.19 -0.64 3.55 2.86 -1.89 -0.49 114.93 120.14 1k9m h MET 78 Ca -0.39 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1k9m h MET 78 Cb 1.26 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1k9m h MET 78 CO 0.65 -0.13 0.35 -1.35 1.06 0.00 0.00 176.91 177.49 1k9m h PRO 79 N -0.20 0.87 0.36 -0.22 0.11 -1.74 -1.72 132.00 129.46 1k9m h PRO 79 Ca 0.15 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1k9m h PRO 79 Cb 0.44 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1k9m h PRO 79 CO -0.41 0.64 -0.17 1.03 -0.21 0.00 0.00 178.00 178.88 1k9m h SER 80 N 0.88 -0.41 -0.12 -2.05 0.87 -1.66 -2.79 113.55 108.28 1k9m h SER 80 Ca 0.23 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1k9m h SER 80 Cb 0.01 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 1k9m h SER 80 CO -0.04 -0.26 -0.23 0.00 -0.53 0.00 0.00 176.83 175.77 1k9m h ALA 81 N 0.12 -0.20 -0.24 6.23 0.00 -0.57 -1.61 119.26 122.98 1k9m h ALA 81 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1k9m h ALA 81 Cb 0.39 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1k9m h ALA 81 CO 0.08 -0.69 -0.30 -0.92 0.00 0.00 0.00 179.25 177.42 1k9m h TYR 82 N -0.29 -0.82 -0.62 0.00 3.20 -1.32 -0.61 116.97 116.50 1k9m h TYR 82 Ca 0.10 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1k9m h TYR 82 Cb 0.44 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 1k9m h TYR 82 CO -0.33 -0.37 0.40 -0.07 -1.64 0.00 0.00 178.16 176.15 1k9m h LEU 83 N -0.31 0.67 -1.82 2.82 3.38 -1.28 0.13 115.31 118.90 1k9m h LEU 83 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1k9m h LEU 83 Cb 0.52 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1k9m h LEU 83 CO -0.42 0.48 -0.11 0.74 0.09 0.00 0.00 178.44 179.22 1k9m h THR 84 N 0.80 1.00 -0.04 0.22 2.02 -0.90 0.86 112.91 116.88 1k9m h THR 84 Ca 0.24 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1k9m h THR 84 Cb -0.05 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1k9m h THR 84 CO -0.07 0.11 -0.10 1.23 0.37 0.00 0.00 175.52 177.06 1k9m h GLY 85 N 0.38 0.14 0.98 2.16 0.00 0.38 -1.72 103.07 105.41 1k9m h GLY 85 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1k9m h GLY 85 CO 0.01 0.16 0.28 -2.00 0.00 0.00 0.00 176.54 175.00 1k9m h LEU 86 N -0.42 0.65 0.06 3.11 5.85 -0.08 0.31 115.31 124.78 1k9m h LEU 86 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1k9m h LEU 86 Cb 0.71 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1k9m h LEU 86 CO 0.02 0.56 -0.06 0.25 -0.34 0.00 0.00 178.44 178.87 1k9m h LEU 87 N 0.70 -0.15 -1.10 2.25 5.85 0.73 0.12 115.31 123.71 1k9m h LEU 87 Ca 0.18 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1k9m h LEU 87 Cb 0.05 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1k9m h LEU 87 CO -0.03 -0.09 -0.20 0.00 -0.34 0.00 0.00 178.44 177.78 1k9m h ALA 88 N 0.81 1.24 -0.63 1.25 0.00 -1.19 -2.05 119.26 118.69 1k9m h ALA 88 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1k9m h ALA 88 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1k9m h ALA 88 CO -0.02 0.50 0.29 0.78 0.00 0.00 0.00 179.25 180.80 1k9m h GLY 89 N 0.96 0.98 0.73 0.00 0.00 0.32 -0.39 103.07 105.66 1k9m h GLY 89 Ca 0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1k9m h GLY 89 CO 0.04 0.47 -0.02 1.41 0.00 0.00 0.00 176.54 178.44 1k9m h LEU 90 N 0.87 -0.04 -1.55 3.11 3.38 -0.39 -1.07 115.31 119.63 1k9m h LEU 90 Ca 0.21 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1k9m h LEU 90 Cb 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1k9m h LEU 90 CO -0.02 0.24 0.43 0.03 0.09 0.00 0.00 178.44 179.21 1k9m h ARG 91 N -0.32 0.50 -0.15 1.13 3.08 -1.35 0.12 114.38 117.39 1k9m h ARG 91 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1k9m h ARG 91 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1k9m h ARG 91 CO 0.01 0.33 0.07 0.00 -1.07 0.00 0.00 179.97 179.31 1k9m h ALA 92 N 1.67 0.20 -0.07 0.04 0.00 -0.61 -1.09 119.26 119.40 1k9m h ALA 92 Ca 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1k9m h ALA 92 Cb 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1k9m h ALA 92 CO -0.09 -0.24 -0.01 1.96 0.00 0.00 0.00 179.25 180.87 1k9m h GLN 93 N 0.12 0.02 -1.00 0.00 1.08 -0.02 -1.02 115.11 114.28 1k9m h GLN 93 Ca 0.05 -0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.43 1k9m h GLN 93 Cb 0.12 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.44 1k9m h GLN 93 CO -0.01 0.01 0.61 0.93 -0.95 0.00 0.00 178.83 179.43 1k9m h GLU 94 N 0.02 0.77 0.00 1.46 4.39 -0.76 0.38 114.58 120.84 1k9m h GLU 94 Ca 0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1k9m h GLU 94 Cb 0.04 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1k9m h GLU 94 CO -0.06 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.31 1k9m n ALA 95 N -2.33 2.11 -0.50 3.43 0.00 -0.44 -4.85 120.51 117.93 1k9m n ALA 95 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1k9m n ALA 95 Cb 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1k9m n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 96 N 0.29 0.73 3.68 0.00 0.00 0.13 -5.05 105.19 104.97 1k9m n GLY 96 Ca 0.11 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1k9m n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 97 N -2.00 5.01 -0.11 1.61 1.01 -0.46 -4.97 120.40 120.50 1k9m s VAL 97 Ca 0.00 1.34 0.13 0.00 0.00 0.00 0.00 61.98 63.45 1k9m s VAL 97 Cb 0.00 -4.00 -0.19 0.00 0.00 0.00 0.00 36.38 32.19 1k9m s VAL 97 CO 0.00 0.15 0.13 -0.62 0.00 0.00 0.00 175.10 174.76 1k9m n GLU 98 N 4.61 1.35 -3.87 2.72 1.02 -1.26 -4.03 120.64 121.19 1k9m n GLU 98 Ca -0.01 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 1k9m n GLU 98 Cb 0.50 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 1k9m n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1k9m s GLU 99 N -2.54 0.81 0.20 3.49 -1.05 -1.26 -1.44 118.70 116.91 1k9m s GLU 99 Ca -0.07 -0.93 -0.23 0.00 -0.15 0.00 0.00 54.97 53.59 1k9m s GLU 99 Cb 0.06 0.33 0.05 0.00 -0.44 0.00 0.00 34.13 34.12 1k9m s GLU 99 CO 0.59 -0.25 0.85 0.00 0.95 0.00 0.00 175.26 177.41 1k9m s ALA 100 N -3.71 -1.48 0.10 -0.84 0.00 -0.90 -3.86 121.76 111.07 1k9m s ALA 100 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.07 1k9m s ALA 100 Cb 0.04 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1k9m s ALA 100 CO -0.10 -1.03 -0.26 0.08 0.00 0.00 0.00 175.76 174.44 1k9m s VAL 101 N -3.55 2.25 -0.43 0.00 1.01 -0.44 -3.98 120.40 115.25 1k9m s VAL 101 Ca 0.11 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 60.21 1k9m s VAL 101 Cb -0.03 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1k9m s VAL 101 CO 0.04 0.19 0.96 -0.22 0.00 0.00 0.00 175.10 176.07 1k9m s LEU 102 N -1.77 3.94 -0.30 3.92 2.96 -1.26 -0.34 118.68 125.82 1k9m s LEU 102 Ca 0.13 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.28 1k9m s LEU 102 Cb -0.10 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 1k9m s LEU 102 CO 0.05 -1.02 0.17 -0.62 -1.32 0.00 0.00 176.35 173.61 1k9m s ASP 103 N 2.16 5.72 -0.14 3.68 -1.08 -0.72 -4.92 116.67 121.37 1k9m s ASP 103 Ca 0.39 -0.36 0.15 0.00 -0.52 0.00 0.00 52.55 52.22 1k9m s ASP 103 Cb -0.10 -2.05 0.56 0.00 -1.46 0.00 0.00 42.92 39.87 1k9m s ASP 103 CO 0.25 -0.16 1.48 2.30 0.52 0.00 0.00 175.17 179.56 1k9m n ILE 104 N 5.02 2.02 -0.63 4.11 -5.35 -1.26 -1.27 119.36 122.00 1k9m n ILE 104 Ca -0.14 -1.51 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 1k9m n ILE 104 Cb 0.50 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1k9m n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k9m n GLY 105 N 0.16 2.87 0.53 3.28 0.00 -1.26 -1.29 105.19 109.48 1k9m n GLY 105 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1k9m n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9m n LEU 106 N 0.00 1.54 -4.88 0.99 4.77 -1.26 -4.91 117.00 113.25 1k9m n LEU 106 Ca 0.00 -0.77 -0.30 0.00 -0.03 0.00 0.00 56.01 54.91 1k9m n LEU 106 Cb 0.00 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1k9m n LEU 106 CO 0.00 0.38 0.76 0.20 -1.33 0.00 0.00 177.39 177.40 1k9m s ASN 107 N -1.01 5.25 -0.07 -1.43 -0.87 -0.41 -5.06 114.94 111.34 1k9m s ASN 107 Ca 0.19 1.08 -0.06 0.00 -1.57 0.00 0.00 52.86 52.50 1k9m s ASN 107 Cb 0.10 -1.82 -0.04 0.00 -0.02 0.00 0.00 41.25 39.47 1k9m s ASN 107 CO 0.13 -1.46 0.18 -0.44 -2.57 0.00 0.00 177.10 172.94 1k9m s SER 108 N -4.38 6.42 0.00 -1.22 0.01 -1.26 -4.97 113.70 108.30 1k9m s SER 108 Ca 0.59 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1k9m s SER 108 Cb -0.11 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1k9m s SER 108 CO 0.51 0.35 0.86 -2.65 0.41 0.00 0.00 173.24 172.72 1k9m n PRO 109 N 1.61 0.54 -1.96 12.44 -0.02 -1.26 -4.91 135.00 141.44 1k9m n PRO 109 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 1k9m n PRO 109 Cb 0.54 -1.23 -0.03 0.00 -0.02 0.00 0.00 33.50 32.76 1k9m n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1k9m s THR 110 N 0.74 2.65 0.29 3.45 2.01 -1.26 -4.94 115.64 118.59 1k9m s THR 110 Ca 0.00 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1k9m s THR 110 Cb 0.00 -3.31 -0.12 0.00 0.01 0.00 0.00 72.50 69.07 1k9m s THR 110 CO 0.00 0.05 1.47 -2.65 -0.69 0.00 0.00 174.62 172.80 1k9m n PRO 111 N 3.47 2.38 -1.07 4.92 -0.02 -1.26 -1.90 135.00 141.52 1k9m n PRO 111 Ca 0.12 0.85 -0.02 0.00 -2.02 0.00 0.00 63.50 62.42 1k9m n PRO 111 Cb 0.39 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1k9m n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k9m n GLY 112 N 1.77 0.48 3.74 -1.23 0.00 0.24 -4.91 105.19 105.28 1k9m n GLY 112 Ca 0.08 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1k9m n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k9m s SER 113 N -2.22 3.59 0.35 1.61 0.01 -0.80 -4.61 113.70 111.64 1k9m s SER 113 Ca 0.00 1.34 0.05 0.00 1.31 0.00 0.00 55.95 58.66 1k9m s SER 113 Cb 0.00 -2.03 0.65 0.00 0.21 0.00 0.00 66.02 64.85 1k9m s SER 113 CO 0.00 -2.54 1.89 0.11 0.41 0.00 0.00 173.24 173.11 1k9m h LYS 114 N -1.49 0.49 -0.32 12.44 1.57 -1.94 -2.09 116.57 125.22 1k9m h LYS 114 Ca -0.50 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.14 1k9m h LYS 114 Cb 1.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1k9m h LYS 114 CO 0.57 0.51 0.02 -0.39 -0.57 0.00 0.00 179.45 179.60 1k9m h VAL 115 N 0.47 1.18 0.00 0.50 -1.51 -1.94 0.21 116.25 115.15 1k9m h VAL 115 Ca 0.10 -0.68 -0.08 0.00 -1.23 0.00 0.00 66.70 64.81 1k9m h VAL 115 Cb 0.31 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1k9m h VAL 115 CO 0.01 0.24 -0.40 -0.26 -1.23 0.00 0.00 177.57 175.93 1k9m h PHE 116 N 0.47 0.00 -0.19 5.19 0.05 -1.80 -1.06 116.94 119.60 1k9m h PHE 116 Ca 0.11 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.75 1k9m h PHE 116 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.22 1k9m h PHE 116 CO 0.01 0.40 -0.44 0.00 -0.18 0.00 0.00 178.31 178.10 1k9m h ALA 117 N 1.60 0.31 -0.78 2.45 0.00 -0.57 -0.07 119.26 122.21 1k9m h ALA 117 Ca -0.00 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1k9m h ALA 117 Cb 1.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1k9m h ALA 117 CO 0.05 0.44 0.49 0.82 0.00 0.00 0.00 179.25 181.06 1k9m h ILE 118 N 0.32 1.09 -0.44 0.00 2.04 -0.31 -0.61 117.51 119.60 1k9m h ILE 118 Ca -0.00 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1k9m h ILE 118 Cb 1.05 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1k9m h ILE 118 CO 0.10 0.17 -0.04 -0.61 0.00 0.00 0.00 178.15 177.77 1k9m h GLN 119 N 0.94 0.74 -0.20 2.37 4.15 -0.92 -1.94 115.11 120.26 1k9m h GLN 119 Ca 0.32 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1k9m h GLN 119 Cb 0.05 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1k9m h GLN 119 CO -0.13 0.78 0.06 1.49 -1.93 0.00 0.00 178.83 179.10 1k9m h GLU 120 N 0.68 0.31 0.11 1.69 4.81 0.10 -2.26 114.58 120.03 1k9m h GLU 120 Ca 0.13 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1k9m h GLU 120 Cb 0.48 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1k9m h GLU 120 CO 0.02 0.42 -0.27 0.78 -0.73 0.00 0.00 179.01 179.24 1k9m h GLY 121 N 0.14 -0.50 1.16 1.92 0.00 -0.91 -1.30 103.07 103.58 1k9m h GLY 121 Ca 0.06 0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.78 1k9m h GLY 121 CO -0.00 -0.23 0.41 0.00 0.00 0.00 0.00 176.54 176.72 1k9m h ALA 122 N 0.25 1.81 -0.23 3.60 0.00 -1.23 -1.22 119.26 122.24 1k9m h ALA 122 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1k9m h ALA 122 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1k9m h ALA 122 CO -0.16 0.08 -0.05 0.82 0.00 0.00 0.00 179.25 179.95 1k9m h ILE 123 N 0.59 1.28 0.00 0.00 2.04 -0.74 -2.63 117.51 118.05 1k9m h ILE 123 Ca 0.27 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1k9m h ILE 123 Cb 0.29 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1k9m h ILE 123 CO -0.08 0.32 -0.11 0.44 0.00 0.00 0.00 178.15 178.72 1k9m h ASP 124 N 0.18 0.00 0.72 1.72 3.32 -0.85 0.11 116.42 121.62 1k9m h ASP 124 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1k9m h ASP 124 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1k9m h ASP 124 CO 0.02 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1k9m n ALA 125 N -2.23 1.72 0.00 3.45 0.00 -0.50 -4.84 120.51 118.11 1k9m n ALA 125 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1k9m n ALA 125 Cb 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1k9m n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 126 N 0.13 1.74 3.74 0.00 0.00 0.02 -4.61 105.19 106.21 1k9m n GLY 126 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1k9m n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9m s LEU 127 N 0.00 4.45 -0.47 0.99 2.96 -1.02 -4.98 118.68 120.60 1k9m s LEU 127 Ca 0.00 2.36 -0.21 0.00 -0.22 0.00 0.00 54.13 56.06 1k9m s LEU 127 Cb 0.00 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.11 1k9m s LEU 127 CO 0.00 -0.43 0.68 -0.62 -1.32 0.00 0.00 176.35 174.66 1k9m s ASP 128 N 0.02 6.31 -0.03 3.68 -1.08 -0.52 -4.16 116.67 120.89 1k9m s ASP 128 Ca 0.53 -0.45 0.03 0.00 -0.52 0.00 0.00 52.55 52.14 1k9m s ASP 128 Cb -0.35 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1k9m s ASP 128 CO 0.40 -0.86 -0.10 -0.63 0.52 0.00 0.00 175.17 174.49 1k9m s ILE 129 N 2.93 0.89 -0.00 4.11 1.01 -1.26 -2.11 121.20 126.77 1k9m s ILE 129 Ca 0.22 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1k9m s ILE 129 Cb -0.15 -0.79 -0.08 0.00 0.01 0.00 0.00 42.46 41.45 1k9m s ILE 129 CO 0.18 0.28 1.97 -2.84 0.00 0.00 0.00 174.94 174.53 1k9m s PRO 130 N 0.26 4.02 0.17 2.79 0.02 -1.26 -4.93 135.00 136.08 1k9m s PRO 130 Ca -0.05 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1k9m s PRO 130 Cb -0.10 -4.17 -0.00 0.00 0.02 0.00 0.00 34.50 30.24 1k9m s PRO 130 CO 0.01 -1.09 0.20 -2.39 -0.33 0.00 0.00 177.00 173.40 1k9m n HIS 131 N 8.02 -0.72 -3.45 6.54 1.44 -1.26 -4.76 115.22 121.03 1k9m n HIS 131 Ca 0.21 -1.23 -0.18 0.00 -2.01 0.00 0.00 57.72 54.51 1k9m n HIS 131 Cb 0.42 0.22 -0.11 0.00 0.12 0.00 0.00 29.99 30.63 1k9m n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1k9m s ASN 132 N -2.09 1.51 0.28 4.39 3.84 -1.26 -5.07 114.94 116.55 1k9m s ASN 132 Ca 0.16 -0.44 0.02 0.00 0.21 0.00 0.00 52.86 52.81 1k9m s ASN 132 Cb 0.00 0.45 0.69 0.00 -0.55 0.00 0.00 41.25 41.84 1k9m s ASN 132 CO 0.12 -0.35 1.67 0.44 -2.79 0.00 0.00 177.10 176.18 1k9m h ASP 133 N 8.29 0.15 -0.18 -4.21 3.32 -2.00 -2.73 116.42 119.05 1k9m h ASP 133 Ca -0.16 0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1k9m h ASP 133 Cb 1.12 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.81 1k9m h ASP 133 CO 0.31 -0.08 0.12 -0.90 -1.72 0.00 0.00 179.24 176.97 1k9m n ASP 134 N -5.14 3.16 0.00 6.45 5.68 -1.26 -2.08 116.55 123.36 1k9m n ASP 134 Ca 0.21 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1k9m n ASP 134 Cb 0.65 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1k9m n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1k9m n VAL 135 N 0.22 0.00 -2.74 2.12 3.14 -1.03 -4.98 118.33 115.06 1k9m n VAL 135 Ca 0.11 -0.40 -0.27 0.00 -2.96 0.00 0.00 64.34 60.81 1k9m n VAL 135 Cb 0.71 1.03 -0.01 0.00 -1.06 0.00 0.00 33.84 34.51 1k9m n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1k9m s LEU 136 N -1.36 3.69 0.87 6.55 1.43 -0.88 0.82 118.68 129.80 1k9m s LEU 136 Ca 0.00 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 1k9m s LEU 136 Cb 0.00 -3.83 0.11 0.00 0.03 0.00 0.00 46.19 42.50 1k9m s LEU 136 CO 0.00 -0.53 1.09 0.00 0.23 0.00 0.00 176.35 177.14 1k9m s ALA 137 N -2.66 1.72 -0.12 4.21 0.00 -1.26 -4.32 121.76 119.34 1k9m s ALA 137 Ca 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1k9m s ALA 137 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1k9m s ALA 137 CO 0.43 -2.20 2.42 -0.40 0.00 0.00 0.00 175.76 176.01 1k9m n ASP 138 N -3.78 5.71 0.00 0.00 5.75 -1.26 -4.91 116.55 118.06 1k9m n ASP 138 Ca 0.07 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 1k9m n ASP 138 Cb 0.55 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1k9m n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1k9m n TRP 139 N 1.37 0.00 -0.11 2.11 -0.00 -1.26 -4.27 117.44 115.28 1k9m n TRP 139 Ca 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.64 1k9m n TRP 139 Cb 0.61 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.94 1k9m n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1k9m h GLN 140 N 0.00 0.30 -0.26 5.87 1.08 -1.99 1.00 115.11 121.11 1k9m h GLN 140 Ca 0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1k9m h GLN 140 Cb 0.00 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1k9m h GLN 140 CO 0.00 0.20 0.07 -0.09 -0.95 0.00 0.00 178.83 178.06 1k9m h ARG 141 N 0.31 0.37 -0.33 1.46 2.43 -1.95 -0.92 114.38 115.75 1k9m h ARG 141 Ca 0.16 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1k9m h ARG 141 Cb 0.11 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1k9m h ARG 141 CO -0.14 0.34 -0.26 1.15 -1.51 0.00 0.00 179.97 179.55 1k9m h THR 142 N 0.37 1.27 0.00 0.20 2.02 -1.51 -2.36 112.91 112.91 1k9m h THR 142 Ca 0.09 -1.36 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1k9m h THR 142 Cb 0.14 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1k9m h THR 142 CO -0.00 0.44 -0.37 0.03 0.37 0.00 0.00 175.52 175.99 1k9m h ARG 143 N 0.58 0.00 0.00 6.66 3.08 -0.11 -2.76 114.38 121.82 1k9m h ARG 143 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1k9m h ARG 143 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1k9m h ARG 143 CO 0.06 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 1k9m n GLY 144 N -0.26 1.41 0.25 0.04 0.00 -0.74 -4.42 105.19 101.48 1k9m n GLY 144 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1k9m n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m h ALA 145 N 0.00 0.72 -0.82 4.61 0.00 -1.37 -2.60 119.26 119.80 1k9m h ALA 145 Ca 0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 1k9m h ALA 145 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1k9m h ALA 145 CO 0.00 0.36 0.57 1.12 0.00 0.00 0.00 179.25 181.30 1k9m h HIS 146 N 0.76 0.23 0.15 0.00 2.07 -1.82 -0.65 115.15 115.89 1k9m h HIS 146 Ca 0.18 0.01 -0.30 0.00 -2.85 0.00 0.00 60.37 57.41 1k9m h HIS 146 Cb 0.25 -0.07 0.01 0.00 2.57 0.00 0.00 27.41 30.16 1k9m h HIS 146 CO 0.01 0.06 -1.44 0.97 -3.07 0.00 0.00 177.93 174.47 1k9m h ILE 147 N 0.18 1.28 0.23 6.12 2.10 -1.85 -2.78 117.51 122.79 1k9m h ILE 147 Ca 0.41 -2.86 -0.01 0.00 1.08 0.00 0.00 64.86 63.48 1k9m h ILE 147 Cb 1.33 2.87 0.00 0.00 -1.09 0.00 0.00 36.82 39.93 1k9m h ILE 147 CO -0.08 0.85 -0.11 0.00 -1.08 0.00 0.00 178.15 177.73 1k9m h ALA 148 N 0.45 -0.31 -0.76 0.18 0.00 -0.81 -1.90 119.26 116.11 1k9m h ALA 148 Ca -0.21 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1k9m h ALA 148 Cb 2.03 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1k9m h ALA 148 CO 0.19 -0.62 0.50 0.93 0.00 0.00 0.00 179.25 180.25 1k9m h GLU 149 N -0.42 0.76 0.00 0.00 5.08 -1.30 -0.24 114.58 118.45 1k9m h GLU 149 Ca -0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1k9m h GLU 149 Cb 0.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1k9m h GLU 149 CO 0.05 0.50 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.47 1k9m h TYR 150 N 0.78 0.00 0.00 4.33 3.20 -1.18 0.15 116.97 124.25 1k9m h TYR 150 Ca 0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1k9m h TYR 150 Cb 0.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1k9m h TYR 150 CO -0.00 0.18 -0.18 -3.47 -1.64 0.00 0.00 178.16 173.04 1k9m n ASP 151 N -4.31 0.32 0.06 -2.11 -0.08 -0.15 -3.07 116.55 107.20 1k9m n ASP 151 Ca -0.02 0.29 -0.04 0.00 -1.51 0.00 0.00 54.79 53.50 1k9m n ASP 151 Cb 0.24 -0.30 0.17 0.00 2.34 0.00 0.00 41.12 43.57 1k9m n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1k9m h GLU 152 N 0.00 0.33 -1.71 -0.67 4.57 -0.37 -1.05 114.58 115.68 1k9m h GLU 152 Ca 0.00 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 57.90 1k9m h GLU 152 Cb 0.56 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1k9m h GLU 152 CO 0.00 0.72 0.13 1.04 -1.18 0.00 0.00 179.01 179.73 1k9m n GLN 153 N -3.99 1.25 0.00 1.92 6.02 -1.18 -4.79 117.38 116.62 1k9m n GLN 153 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1k9m n GLN 153 Cb 0.52 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.58 1k9m n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1k9m n LEU 154 N 0.98 0.00 0.00 1.08 7.94 -0.40 -4.80 117.00 121.81 1k9m n LEU 154 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1k9m n LEU 154 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1k9m n LEU 154 CO 0.12 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.61 1k9m n GLU 155 N 0.00 0.00 -3.65 1.96 2.13 -1.26 -4.87 120.64 114.94 1k9m n GLU 155 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1k9m n GLU 155 Cb 0.00 -0.34 -0.07 0.00 0.27 0.00 0.00 31.44 31.30 1k9m n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1k9m s GLU 156 N -0.28 0.62 0.09 5.31 2.02 -1.26 -5.14 118.70 120.06 1k9m s GLU 156 Ca 0.00 1.23 -0.37 0.00 0.02 0.00 0.00 54.97 55.85 1k9m s GLU 156 Cb 0.00 0.32 -0.17 0.00 0.10 0.00 0.00 34.13 34.39 1k9m s GLU 156 CO 0.00 -0.17 1.36 -2.30 0.02 0.00 0.00 175.26 174.17 1k9m n PRO 157 N 4.67 1.22 0.25 0.39 -0.02 -1.26 -4.86 135.00 135.39 1k9m n PRO 157 Ca -0.18 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 1k9m n PRO 157 Cb 0.55 -2.09 0.66 0.00 -0.02 0.00 0.00 33.50 32.60 1k9m n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1k9m h LEU 158 N 4.65 0.00 -8.39 2.45 5.85 -1.91 -3.40 115.31 114.55 1k9m h LEU 158 Ca -0.47 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.58 1k9m h LEU 158 Cb 1.33 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 42.09 1k9m h LEU 158 CO 0.78 0.14 -0.68 -0.31 -0.34 0.00 0.00 178.44 178.03 1k9m s TYR 159 N -3.98 3.05 -0.69 1.25 1.51 -1.26 -5.05 117.35 112.17 1k9m s TYR 159 Ca -0.02 -0.98 -0.26 0.00 -1.01 0.00 0.00 57.07 54.81 1k9m s TYR 159 Cb 0.12 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1k9m s TYR 159 CO 0.59 -0.56 1.94 0.45 -1.11 0.00 0.00 175.55 176.86 1k9m s SER 160 N 1.48 5.14 0.00 2.29 0.15 -1.26 -4.37 113.70 117.13 1k9m s SER 160 Ca 0.04 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1k9m s SER 160 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1k9m s SER 160 CO -0.01 -2.55 0.00 0.61 1.20 0.00 0.00 173.24 172.49 1k9m n GLY 161 N 6.07 1.89 3.74 9.45 0.00 -1.26 -4.91 105.19 120.17 1k9m n GLY 161 Ca 0.28 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1k9m n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9m n ASP 162 N 4.44 0.00 -4.40 1.61 9.92 -1.26 -4.53 116.55 122.33 1k9m n ASP 162 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1k9m n ASP 162 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1k9m n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1k9m s PHE 163 N 0.00 2.22 0.20 1.24 -0.00 -1.26 -5.08 117.98 115.30 1k9m s PHE 163 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 56.93 56.55 1k9m s PHE 163 Cb 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 43.02 41.88 1k9m s PHE 163 CO 0.00 0.42 0.00 -0.40 -0.00 0.00 0.00 175.22 175.24 1k9m n ASP 164 N 0.49 -3.44 -0.03 1.98 5.68 -1.26 -4.75 116.55 115.22 1k9m n ASP 164 Ca -0.15 0.43 -0.04 0.00 -0.50 0.00 0.00 54.79 54.54 1k9m n ASP 164 Cb 0.55 -2.79 -0.03 0.00 -1.14 0.00 0.00 41.12 37.71 1k9m n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k9m n ALA 165 N -2.61 1.88 -0.38 2.12 0.00 -1.26 -4.62 120.51 115.64 1k9m n ALA 165 Ca -0.02 -0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1k9m n ALA 165 Cb 0.55 0.31 0.33 0.00 0.00 0.00 0.00 19.45 20.64 1k9m n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9m n ALA 166 N -2.55 2.49 -1.27 0.00 0.00 -1.26 -4.45 120.51 113.46 1k9m n ALA 166 Ca -0.10 -1.33 0.15 0.00 0.00 0.00 0.00 53.44 52.16 1k9m n ALA 166 Cb 0.62 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 1k9m n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k9m n ASP 167 N 1.58 -7.03 -3.50 0.00 8.00 -1.26 -4.75 116.55 109.59 1k9m n ASP 167 Ca 0.25 0.82 -0.23 0.00 0.71 0.00 0.00 54.79 56.34 1k9m n ASP 167 Cb 0.66 -4.08 -0.13 0.00 -0.02 0.00 0.00 41.12 37.55 1k9m n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1k9m s LEU 168 N -6.38 0.16 0.00 0.64 1.43 -1.26 -4.91 118.68 108.36 1k9m s LEU 168 Ca 0.00 -0.85 0.24 0.00 -1.03 0.00 0.00 54.13 52.48 1k9m s LEU 168 Cb 0.00 0.06 1.08 0.00 0.03 0.00 0.00 46.19 47.35 1k9m s LEU 168 CO 0.00 -0.39 1.78 -2.65 0.23 0.00 0.00 176.35 175.31 1k9m n PRO 169 N 5.28 0.09 0.06 1.29 -0.02 -1.26 -2.03 135.00 138.41 1k9m n PRO 169 Ca -0.05 0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 61.32 1k9m n PRO 169 Cb 0.46 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.33 1k9m n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1k9m h GLU 170 N 0.00 0.64 -0.18 -0.52 3.07 -1.91 -2.86 114.58 112.83 1k9m h GLU 170 Ca 0.00 -0.73 0.05 0.00 -0.50 0.00 0.00 59.36 58.18 1k9m h GLU 170 Cb 0.36 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1k9m h GLU 170 CO 0.00 1.31 0.14 1.25 -1.40 0.00 0.00 179.01 180.31 1k9m h HIS 171 N 0.34 0.00 0.12 4.33 2.76 -1.80 -0.62 115.15 120.29 1k9m h HIS 171 Ca -0.14 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1k9m h HIS 171 Cb 1.74 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.70 1k9m h HIS 171 CO 0.10 0.00 -0.06 0.35 -1.30 0.00 0.00 177.93 177.02 1k9m h PHE 172 N 0.00 -0.15 -0.29 5.26 3.57 -1.53 -2.66 116.94 121.14 1k9m h PHE 172 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1k9m h PHE 172 Cb 0.36 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1k9m h PHE 172 CO 0.00 0.11 0.16 -0.44 -2.23 0.00 0.00 178.31 175.91 1k9m h ASP 173 N -0.41 0.26 -0.78 0.41 3.32 -1.06 -0.57 116.42 117.57 1k9m h ASP 173 Ca -0.02 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.20 1k9m h ASP 173 Cb 0.34 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 1k9m h ASP 173 CO 0.03 0.19 0.31 -0.33 -1.72 0.00 0.00 179.24 177.72 1k9m h GLU 174 N 0.33 0.41 0.08 3.56 5.08 -1.25 0.26 114.58 123.06 1k9m h GLU 174 Ca 0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1k9m h GLU 174 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1k9m h GLU 174 CO -0.06 0.27 -0.04 1.25 -1.00 0.00 0.00 179.01 179.43 1k9m h LEU 175 N 0.42 -0.09 -0.62 1.33 5.85 -1.03 -1.51 115.31 119.66 1k9m h LEU 175 Ca 0.44 -0.46 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1k9m h LEU 175 Cb 0.72 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1k9m h LEU 175 CO -0.44 0.45 0.26 -0.09 -0.34 0.00 0.00 178.44 178.28 1k9m h ARG 176 N -0.67 0.44 -0.47 1.25 2.43 -0.74 -0.33 114.38 116.30 1k9m h ARG 176 Ca -0.01 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1k9m h ARG 176 Cb 0.54 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 1k9m h ARG 176 CO 0.02 0.29 -0.06 1.49 -1.51 0.00 0.00 179.97 180.20 1k9m h GLU 177 N 0.45 0.05 -0.08 0.20 4.57 -0.46 -2.48 114.58 116.84 1k9m h GLU 177 Ca 0.31 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 1k9m h GLU 177 Cb 0.37 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1k9m h GLU 177 CO -0.29 0.03 -0.07 1.15 -1.18 0.00 0.00 179.01 178.65 1k9m h THR 178 N 0.05 0.79 0.00 0.32 2.02 -0.02 -2.62 112.91 113.44 1k9m h THR 178 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1k9m h THR 178 Cb 0.35 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1k9m h THR 178 CO -0.44 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.38 1k9m h LEU 179 N -0.09 0.00 -3.25 2.58 3.38 -0.78 -3.17 115.31 113.97 1k9m h LEU 179 Ca 0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 1k9m h LEU 179 Cb 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 1k9m h LEU 179 CO -0.13 0.00 0.38 0.18 0.09 0.00 0.00 178.44 178.96 1k9m n LEU 180 N -2.69 5.72 0.00 1.67 4.77 -0.99 -4.83 117.00 120.65 1k9m n LEU 180 Ca -0.01 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1k9m n LEU 180 Cb 0.12 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1k9m n LEU 180 CO 0.18 1.01 0.00 -0.90 -1.33 0.00 0.00 177.39 176.35 1k9m n ASP 181 N -0.00 0.00 0.00 -1.43 5.75 -1.20 -5.08 116.55 114.59 1k9m n ASP 181 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1k9m n ASP 181 Cb 0.83 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 1k9m n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k9m n GLY 182 N 0.00 3.90 1.07 6.12 0.00 -1.26 -4.98 105.19 110.03 1k9m n GLY 182 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1k9m n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k9m n ASP 183 N 8.06 -0.97 -4.75 1.61 5.75 -1.26 -4.69 116.55 120.30 1k9m n ASP 183 Ca 0.00 0.21 -0.33 0.00 -0.01 0.00 0.00 54.79 54.65 1k9m n ASP 183 Cb 0.00 -1.92 0.07 0.00 -1.03 0.00 0.00 41.12 38.24 1k9m n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1k9m s ILE 184 N -4.05 2.88 -1.77 2.12 -1.09 -1.26 -3.81 121.20 114.21 1k9m s ILE 184 Ca 0.00 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 1k9m s ILE 184 Cb 0.00 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1k9m s ILE 184 CO 0.00 -0.25 0.00 -0.62 -1.23 0.00 0.00 174.94 172.84 1k9m n GLU 185 N -2.59 -1.63 0.00 2.79 1.02 -1.26 -5.15 120.64 113.81 1k9m n GLU 185 Ca 0.11 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 1k9m n GLU 185 Cb 0.51 -5.64 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 1k9m n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59