#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 h THR 2 N 0.00 1.42 -1.66 0.00 2.02 -2.01 -3.49 112.91 109.18 1s72 h THR 2 Ca 0.00 -2.43 0.05 0.00 0.77 0.00 0.00 66.41 64.80 1s72 h THR 2 Cb 0.00 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1s72 h THR 2 CO 0.00 0.72 0.16 0.61 0.37 0.00 0.00 175.52 177.38 1s72 n GLY 3 N 0.87 0.95 0.26 2.16 0.00 -1.26 -5.01 105.19 103.16 1s72 n GLY 3 Ca -0.06 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 45.09 1s72 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1s72 h PRO 4 N 0.00 0.11 0.00 1.61 0.11 -2.07 -2.57 132.00 129.18 1s72 h PRO 4 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1s72 h PRO 4 Cb 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1s72 h PRO 4 CO 0.08 0.11 -0.54 -0.09 -0.21 0.00 0.00 178.00 177.34 1s72 h ARG 5 N 0.11 0.00 -6.74 1.05 2.43 -2.02 -3.47 114.38 105.73 1s72 h ARG 5 Ca 0.03 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.64 1s72 h ARG 5 Cb 0.05 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 29.69 1s72 h ARG 5 CO -0.00 0.00 0.73 0.98 -1.51 0.00 0.00 179.97 180.17 1s72 n TYR 6 N -2.18 2.58 -3.62 2.20 9.36 -0.97 -4.98 117.16 119.54 1s72 n TYR 6 Ca 0.03 0.38 -0.40 0.00 3.32 0.00 0.00 57.90 61.23 1s72 n TYR 6 Cb 0.45 -2.52 -0.11 0.00 -0.63 0.00 0.00 39.34 36.52 1s72 n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1s72 s LYS 7 N -0.87 3.14 -0.20 2.98 2.47 -1.26 -4.73 119.74 121.26 1s72 s LYS 7 Ca 0.63 -0.86 -0.14 0.00 -1.56 0.00 0.00 55.97 54.03 1s72 s LYS 7 Cb -0.55 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.12 1s72 s LYS 7 CO 0.53 -0.54 0.30 0.08 0.16 0.00 0.00 175.35 175.88 1s72 s VAL 8 N 1.60 5.27 0.92 4.02 1.01 -1.26 -4.99 120.40 126.97 1s72 s VAL 8 Ca 0.04 0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1s72 s VAL 8 Cb -0.18 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.68 1s72 s VAL 8 CO 0.07 0.31 0.98 -2.65 0.00 0.00 0.00 175.10 173.81 1s72 n PRO 9 N 4.19 -0.40 -1.88 2.72 -0.02 -1.26 -4.93 135.00 133.42 1s72 n PRO 9 Ca -0.11 -0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 60.94 1s72 n PRO 9 Cb 0.52 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1s72 n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1s72 s MET 10 N -4.38 2.99 0.17 -0.52 -1.94 -1.26 -4.71 119.30 109.65 1s72 s MET 10 Ca 0.65 2.03 -0.23 0.00 -1.71 0.00 0.00 55.69 56.43 1s72 s MET 10 Cb -0.23 -2.06 0.07 0.00 2.01 0.00 0.00 34.83 34.62 1s72 s MET 10 CO 0.60 -1.25 1.58 -0.09 -0.01 0.00 0.00 175.02 175.85 1s72 h ARG 11 N 1.10 -0.21 0.00 2.03 2.43 -2.00 0.29 114.38 118.02 1s72 h ARG 11 Ca -0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1s72 h ARG 11 Cb 1.31 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1s72 h ARG 11 CO 0.56 -0.14 0.00 0.54 -1.51 0.00 0.00 179.97 179.42 1s72 n ARG 12 N -5.42 0.11 -0.01 0.20 1.74 -1.26 -0.57 116.66 111.45 1s72 n ARG 12 Ca 0.02 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.16 1s72 n ARG 12 Cb 0.35 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 1s72 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s72 n ARG 13 N -1.31 0.71 0.01 5.56 3.00 0.94 -1.79 116.66 123.78 1s72 n ARG 13 Ca 0.04 0.28 -0.12 0.00 -0.00 0.00 0.00 57.85 58.04 1s72 n ARG 13 Cb 0.07 -1.74 -0.07 0.00 0.00 0.00 0.00 32.46 30.72 1s72 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s72 h ARG 14 N 0.04 0.05 0.00 -0.14 3.08 0.03 -2.05 114.38 115.40 1s72 h ARG 14 Ca -0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1s72 h ARG 14 Cb 2.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.07 1s72 h ARG 14 CO 0.08 0.19 0.00 0.39 -1.07 0.00 0.00 179.97 179.57 1s72 n GLU 15 N -4.98 0.06 -3.67 0.04 1.02 -0.18 -4.83 120.64 108.10 1s72 n GLU 15 Ca -0.07 0.28 -0.23 0.00 -0.02 0.00 0.00 57.16 57.13 1s72 n GLU 15 Cb 0.10 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 1s72 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s72 n ALA 16 N -1.36 -1.76 -0.02 0.62 0.00 -0.77 -4.91 120.51 112.32 1s72 n ALA 16 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1s72 n ALA 16 Cb 0.06 -3.12 -0.02 0.00 0.00 0.00 0.00 19.45 16.36 1s72 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s72 n ARG 17 N -4.44 2.44 -4.58 0.00 1.74 -0.85 -5.03 116.66 105.95 1s72 n ARG 17 Ca -0.18 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.58 1s72 n ARG 17 Cb 0.63 -1.09 -0.16 0.00 -1.02 0.00 0.00 32.46 30.82 1s72 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1s72 s THR 18 N -2.08 2.03 -0.60 0.55 2.01 -0.74 -4.74 115.64 112.07 1s72 s THR 18 Ca -0.03 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1s72 s THR 18 Cb 0.01 -1.80 0.08 0.00 0.01 0.00 0.00 72.50 70.80 1s72 s THR 18 CO 0.13 0.54 0.80 -0.62 -0.69 0.00 0.00 174.62 174.78 1s72 s ASP 19 N 0.89 6.19 0.54 3.53 -1.08 -1.26 -4.55 116.67 120.93 1s72 s ASP 19 Ca -0.05 -1.16 0.31 0.00 -0.52 0.00 0.00 52.55 51.14 1s72 s ASP 19 Cb -0.15 -2.35 1.48 0.00 -1.46 0.00 0.00 42.92 40.44 1s72 s ASP 19 CO -0.04 -1.21 2.04 1.88 0.52 0.00 0.00 175.17 178.37 1s72 h TYR 20 N 9.31 0.00 -0.02 -5.34 -1.99 -1.97 -0.92 116.97 116.04 1s72 h TYR 20 Ca -0.29 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.19 1s72 h TYR 20 Cb 1.08 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.83 1s72 h TYR 20 CO 0.88 0.08 -0.98 0.45 -0.00 0.00 0.00 178.16 178.59 1s72 h HIS 21 N 0.00 0.96 -0.21 4.88 3.86 -2.01 -2.66 115.15 119.98 1s72 h HIS 21 Ca -0.00 -0.51 -0.17 0.00 -1.16 0.00 0.00 60.37 58.53 1s72 h HIS 21 Cb 0.42 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1s72 h HIS 21 CO 0.00 1.34 -0.57 0.37 0.86 0.00 0.00 177.93 179.93 1s72 h GLN 22 N 0.38 0.65 -0.05 2.45 4.15 -1.91 -3.07 115.11 117.71 1s72 h GLN 22 Ca -0.11 -0.42 0.02 0.00 0.77 0.00 0.00 58.65 58.91 1s72 h GLN 22 Cb 1.63 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 1s72 h GLN 22 CO 0.19 1.04 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.98 1s72 h ARG 23 N 0.49 -0.08 -0.13 1.69 2.43 -1.18 0.26 114.38 117.86 1s72 h ARG 23 Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1s72 h ARG 23 Cb 1.14 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 1s72 h ARG 23 CO 0.11 -0.05 -0.24 1.25 -1.51 0.00 0.00 179.97 179.53 1s72 h LEU 24 N -0.08 -0.73 -1.01 3.80 5.85 -1.48 0.22 115.31 121.88 1s72 h LEU 24 Ca 0.04 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1s72 h LEU 24 Cb 0.15 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1s72 h LEU 24 CO -0.10 -0.29 0.63 0.03 -0.34 0.00 0.00 178.44 178.38 1s72 h ARG 25 N -0.30 0.98 0.11 1.25 3.08 -1.39 -1.72 114.38 116.39 1s72 h ARG 25 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1s72 h ARG 25 Cb 0.45 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1s72 h ARG 25 CO -0.30 0.65 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.12 1s72 h LEU 26 N 1.01 -0.12 -0.09 3.04 4.07 0.75 -2.71 115.31 121.26 1s72 h LEU 26 Ca 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1s72 h LEU 26 Cb 0.48 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1s72 h LEU 26 CO -0.26 0.04 0.00 0.18 -1.08 0.00 0.00 178.44 177.32 1s72 n LEU 27 N -5.09 0.04 0.22 1.67 4.77 0.62 -2.64 117.00 116.59 1s72 n LEU 27 Ca -0.08 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 1s72 n LEU 27 Cb 0.14 -0.52 0.46 0.00 -2.33 0.00 0.00 43.42 41.17 1s72 n LEU 27 CO 0.33 -0.44 0.80 0.11 -1.33 0.00 0.00 177.39 176.86 1s72 h LYS 28 N 0.00 0.00 0.00 3.23 1.57 -1.04 -2.68 116.57 117.64 1s72 h LYS 28 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1s72 h LYS 28 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1s72 h LYS 28 CO 0.00 0.23 -0.14 0.66 -0.57 0.00 0.00 179.45 179.63 1s72 h SER 29 N 0.00 0.00 0.00 0.86 4.64 -1.67 -3.45 113.55 113.93 1s72 h SER 29 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s72 h SER 29 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1s72 h SER 29 CO 0.03 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1s72 n GLY 30 N -0.70 0.47 3.94 -0.77 0.00 -1.01 -4.99 105.19 102.12 1s72 n GLY 30 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1s72 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s72 s LYS 31 N -0.52 3.22 0.63 1.61 1.02 -1.26 -5.09 119.74 119.35 1s72 s LYS 31 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 54.91 1s72 s LYS 31 Cb 0.00 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 1s72 s LYS 31 CO 0.00 0.32 1.14 -2.14 -0.92 0.00 0.00 175.35 173.75 1s72 s PRO 32 N -3.99 2.90 -0.09 -1.68 0.02 -1.26 -4.75 135.00 126.15 1s72 s PRO 32 Ca 0.37 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1s72 s PRO 32 Cb -0.09 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1s72 s PRO 32 CO 0.28 -1.20 0.25 1.03 -0.33 0.00 0.00 177.00 177.03 1s72 s ARG 33 N -3.75 3.76 -0.69 5.54 0.52 0.13 -1.08 118.95 123.39 1s72 s ARG 33 Ca 0.71 0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.82 1s72 s ARG 33 Cb -0.24 -3.25 0.15 0.00 0.52 0.00 0.00 34.95 32.14 1s72 s ARG 33 CO 0.37 0.64 0.71 -1.17 0.02 0.00 0.00 175.30 175.87 1s72 s LEU 34 N -0.74 6.03 -0.53 2.53 2.96 0.52 -0.57 118.68 128.87 1s72 s LEU 34 Ca 0.18 -2.02 -0.28 0.00 -0.22 0.00 0.00 54.13 51.79 1s72 s LEU 34 Cb -0.14 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.32 1s72 s LEU 34 CO 0.07 -0.86 1.25 -0.69 -1.32 0.00 0.00 176.35 174.80 1s72 s VAL 35 N 1.55 4.00 -0.32 1.68 1.01 0.16 -1.21 120.40 127.27 1s72 s VAL 35 Ca 0.13 0.93 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1s72 s VAL 35 Cb -0.19 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1s72 s VAL 35 CO -0.01 -1.17 0.26 0.00 0.00 0.00 0.00 175.10 174.18 1s72 s ALA 36 N 5.12 3.52 0.06 5.51 0.00 -0.30 -1.85 121.76 133.81 1s72 s ALA 36 Ca 0.48 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1s72 s ALA 36 Cb -0.09 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1s72 s ALA 36 CO 0.28 -0.83 -0.13 1.03 0.00 0.00 0.00 175.76 176.11 1s72 s ARG 37 N 1.83 0.75 0.26 0.00 1.81 -0.24 -4.49 118.95 118.87 1s72 s ARG 37 Ca 0.08 -0.89 0.07 0.00 -1.72 0.00 0.00 55.73 53.28 1s72 s ARG 37 Cb -0.17 -0.71 -0.05 0.00 -0.45 0.00 0.00 34.95 33.57 1s72 s ARG 37 CO 0.11 0.15 -0.09 0.15 -0.68 0.00 0.00 175.30 174.94 1s72 s LYS 38 N -1.65 1.51 0.18 3.54 1.02 -1.26 -0.30 119.74 122.77 1s72 s LYS 38 Ca -0.04 -1.73 -0.00 0.00 0.02 0.00 0.00 55.97 54.22 1s72 s LYS 38 Cb -0.10 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1s72 s LYS 38 CO 0.02 0.10 0.09 0.45 -0.92 0.00 0.00 175.35 175.09 1s72 s SER 39 N -3.42 0.45 0.35 2.83 0.15 0.17 -4.95 113.70 109.28 1s72 s SER 39 Ca 0.28 -1.31 0.04 0.00 0.70 0.00 0.00 55.95 55.66 1s72 s SER 39 Cb 0.02 0.30 0.69 0.00 -1.71 0.00 0.00 66.02 65.31 1s72 s SER 39 CO 0.11 -0.76 1.97 0.78 1.20 0.00 0.00 173.24 176.53 1s72 h ASN 40 N 2.67 0.71 0.00 5.45 2.35 -2.00 -3.21 115.58 121.55 1s72 h ASN 40 Ca -0.36 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1s72 h ASN 40 Cb 1.23 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1s72 h ASN 40 CO 0.57 0.47 -1.28 0.29 -1.65 0.00 0.00 177.43 175.84 1s72 n LYS 41 N -4.47 1.05 -4.40 0.81 5.02 -1.26 -4.77 118.16 110.15 1s72 n LYS 41 Ca 0.10 -0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 1s72 n LYS 41 Cb 0.18 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 1s72 n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1s72 s HIS 42 N -2.60 1.72 -0.06 2.13 3.76 -1.21 -2.62 115.29 116.41 1s72 s HIS 42 Ca -0.02 -1.18 -0.01 0.00 -0.15 0.00 0.00 55.06 53.70 1s72 s HIS 42 Cb 0.07 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.74 1s72 s HIS 42 CO 0.46 -0.27 -0.01 0.08 -0.85 0.00 0.00 174.74 174.15 1s72 s VAL 43 N -3.49 0.36 0.01 -0.90 1.01 -1.26 0.44 120.40 116.57 1s72 s VAL 43 Ca 0.34 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1s72 s VAL 43 Cb 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1s72 s VAL 43 CO 0.15 0.23 -0.13 -0.60 0.00 0.00 0.00 175.10 174.75 1s72 s ARG 44 N 1.62 2.34 -0.05 2.72 3.52 0.59 -1.26 118.95 128.42 1s72 s ARG 44 Ca -0.01 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1s72 s ARG 44 Cb -0.13 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.95 1s72 s ARG 44 CO -0.03 0.58 -0.01 0.00 -0.81 0.00 0.00 175.30 175.02 1s72 s ALA 45 N -0.90 0.60 0.04 6.12 0.00 -0.47 -1.08 121.76 126.07 1s72 s ALA 45 Ca 0.15 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1s72 s ALA 45 Cb -0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1s72 s ALA 45 CO 0.05 -0.23 -0.12 -0.65 0.00 0.00 0.00 175.76 174.81 1s72 s GLN 46 N 1.43 0.77 -0.42 0.00 -0.21 -0.77 -0.69 119.66 119.77 1s72 s GLN 46 Ca -0.03 -0.70 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 1s72 s GLN 46 Cb -0.13 -0.72 0.09 0.00 1.00 0.00 0.00 33.01 33.25 1s72 s GLN 46 CO -0.03 0.17 0.25 -0.51 -2.12 0.00 0.00 175.29 173.05 1s72 s LEU 47 N -1.16 5.18 -0.10 2.90 1.43 0.10 0.39 118.68 127.42 1s72 s LEU 47 Ca -0.01 -1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 51.40 1s72 s LEU 47 Cb -0.08 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1s72 s LEU 47 CO 0.01 -0.55 0.04 -0.69 0.23 0.00 0.00 176.35 175.39 1s72 s VAL 48 N 1.35 4.61 0.31 -1.59 1.01 0.27 -1.35 120.40 125.02 1s72 s VAL 48 Ca 0.04 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.98 1s72 s VAL 48 Cb -0.23 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1s72 s VAL 48 CO 0.00 0.60 -0.00 0.28 0.00 0.00 0.00 175.10 175.98 1s72 s THR 49 N -0.79 2.88 0.30 3.92 -1.32 0.88 -0.69 115.64 120.83 1s72 s THR 49 Ca 0.12 -1.97 -0.22 0.00 -1.21 0.00 0.00 61.69 58.41 1s72 s THR 49 Cb -0.12 -2.78 -0.09 0.00 -1.51 0.00 0.00 72.50 68.00 1s72 s THR 49 CO 0.03 -0.27 0.85 -0.22 -2.21 0.00 0.00 174.62 172.80 1s72 s LEU 50 N -3.70 4.26 0.15 9.08 2.96 -1.26 -0.35 118.68 129.82 1s72 s LEU 50 Ca 0.34 1.62 0.01 0.00 -0.22 0.00 0.00 54.13 55.87 1s72 s LEU 50 Cb -0.03 -3.94 -0.04 0.00 0.50 0.00 0.00 46.19 42.68 1s72 s LEU 50 CO 0.19 -0.09 0.02 -0.83 -1.32 0.00 0.00 176.35 174.33 1s72 s GLY 51 N -1.77 1.08 0.43 7.98 0.00 -0.98 -4.70 107.32 109.36 1s72 s GLY 51 Ca 0.50 -1.52 0.09 0.00 0.00 0.00 0.00 44.72 43.79 1s72 s GLY 51 CO 0.21 -1.45 2.07 -2.55 0.00 0.00 0.00 173.10 171.38 1s72 h PRO 52 N 2.79 0.39 0.00 2.90 0.11 -1.98 -2.99 132.00 133.23 1s72 h PRO 52 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1s72 h PRO 52 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1s72 h PRO 52 CO 0.62 0.28 -0.02 0.09 -0.21 0.00 0.00 178.00 178.75 1s72 n ASN 53 N -4.48 1.95 0.00 -2.05 3.02 -1.26 -5.09 115.26 107.35 1s72 n ASN 53 Ca 0.01 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1s72 n ASN 53 Cb 0.08 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1s72 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s72 n GLY 54 N -0.83 3.06 3.69 7.41 0.00 -1.13 -5.12 105.19 112.28 1s72 n GLY 54 Ca 0.06 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1s72 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s72 n ASP 55 N 0.00 1.01 -4.12 1.61 8.00 -1.26 -2.33 116.55 119.46 1s72 n ASP 55 Ca 0.00 0.60 -0.30 0.00 0.71 0.00 0.00 54.79 55.79 1s72 n ASP 55 Cb 0.00 -1.50 -0.17 0.00 -0.02 0.00 0.00 41.12 39.43 1s72 n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s72 s ASP 56 N -2.07 2.77 -0.25 -2.24 1.01 0.52 -4.79 116.67 111.62 1s72 s ASP 56 Ca 0.74 -0.51 -0.16 0.00 0.71 0.00 0.00 52.55 53.32 1s72 s ASP 56 Cb -0.30 -1.27 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 1s72 s ASP 56 CO 0.51 0.06 0.42 -0.89 0.21 0.00 0.00 175.17 175.47 1s72 s THR 57 N 0.84 5.15 -0.75 -1.27 2.01 -1.26 -0.08 115.64 120.28 1s72 s THR 57 Ca -0.08 0.70 0.23 0.00 0.31 0.00 0.00 61.69 62.84 1s72 s THR 57 Cb -0.16 -3.74 -0.15 0.00 0.01 0.00 0.00 72.50 68.46 1s72 s THR 57 CO -0.00 0.17 1.00 0.18 -0.69 0.00 0.00 174.62 175.27 1s72 n LEU 58 N 5.11 0.67 -3.61 4.42 4.32 -0.45 -4.97 117.00 122.49 1s72 n LEU 58 Ca -0.07 -0.17 -0.08 0.00 -0.02 0.00 0.00 56.01 55.67 1s72 n LEU 58 Cb 0.51 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 42.17 1s72 n LEU 58 CO 0.39 0.12 0.86 0.00 -1.22 0.00 0.00 177.39 177.54 1s72 s ALA 59 N -3.13 -2.00 0.25 -1.18 0.00 -1.25 -4.89 121.76 109.57 1s72 s ALA 59 Ca 0.05 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 1s72 s ALA 59 Cb 0.15 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1s72 s ALA 59 CO 0.82 -0.26 0.58 -1.54 0.00 0.00 0.00 175.76 175.36 1s72 s SER 60 N -0.66 -0.19 -0.21 0.00 1.04 -1.26 -0.72 113.70 111.70 1s72 s SER 60 Ca 0.02 -0.71 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 1s72 s SER 60 Cb -0.02 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.80 1s72 s SER 60 CO -0.03 -1.21 0.55 0.00 0.98 0.00 0.00 173.24 173.53 1s72 s ALA 61 N -3.95 -1.38 0.06 5.32 0.00 0.13 -4.60 121.76 117.34 1s72 s ALA 61 Ca 0.15 1.69 0.08 0.00 0.00 0.00 0.00 51.96 53.88 1s72 s ALA 61 Cb -0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1s72 s ALA 61 CO 0.06 -0.28 -0.19 -1.58 0.00 0.00 0.00 175.76 173.77 1s72 s HIS 62 N 0.72 2.52 0.46 0.00 2.46 -1.26 -1.37 115.29 118.82 1s72 s HIS 62 Ca -0.03 -0.28 0.38 0.00 0.47 0.00 0.00 55.06 55.60 1s72 s HIS 62 Cb -0.05 -1.42 1.95 0.00 -0.13 0.00 0.00 32.58 32.93 1s72 s HIS 62 CO -0.05 0.27 2.21 0.66 -2.47 0.00 0.00 174.74 175.36 1s72 h SER 63 N 4.36 0.00 0.20 9.88 4.64 -1.53 -2.95 113.55 128.15 1s72 h SER 63 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1s72 h SER 63 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1s72 h SER 63 CO 0.46 0.02 -0.10 0.77 -0.87 0.00 0.00 176.83 177.12 1s72 h SER 64 N 0.00 -0.23 0.00 4.97 4.64 -1.92 -2.91 113.55 118.10 1s72 h SER 64 Ca -0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1s72 h SER 64 Cb 0.20 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1s72 h SER 64 CO 0.00 0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 1s72 n ASP 65 N -5.00 0.63 0.08 4.97 5.75 -1.12 -2.05 116.55 119.82 1s72 n ASP 65 Ca -0.09 -0.86 -0.22 0.00 -0.01 0.00 0.00 54.79 53.62 1s72 n ASP 65 Cb 0.26 -0.21 -0.15 0.00 -1.03 0.00 0.00 41.12 39.99 1s72 n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1s72 h LEU 66 N 0.81 0.61 -1.80 -2.12 5.85 -1.58 -3.28 115.31 113.80 1s72 h LEU 66 Ca 0.00 -0.86 0.08 0.00 0.84 0.00 0.00 57.88 57.95 1s72 h LEU 66 Cb 0.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1s72 h LEU 66 CO 0.00 1.71 0.31 0.00 -0.34 0.00 0.00 178.44 180.12 1s72 h ALA 67 N 0.19 2.11 0.00 1.25 0.00 -1.59 0.99 119.26 122.21 1s72 h ALA 67 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s72 h ALA 67 Cb 2.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1s72 h ALA 67 CO 0.19 -0.21 0.12 -1.91 0.00 0.00 0.00 179.25 177.44 1s72 n GLU 68 N -4.46 0.00 0.00 0.00 2.13 -1.24 0.13 120.64 117.20 1s72 n GLU 68 Ca 0.07 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1s72 n GLU 68 Cb 0.35 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1s72 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1s72 n TYR 69 N -1.28 0.00 0.00 4.31 4.02 0.34 -4.98 117.16 119.57 1s72 n TYR 69 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1s72 n TYR 69 Cb 0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1s72 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s72 n GLY 70 N -0.09 1.60 3.68 2.72 0.00 0.12 -5.00 105.19 108.22 1s72 n GLY 70 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s72 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1s72 s TRP 71 N -1.98 3.45 -0.07 1.61 -0.11 -1.20 -4.88 118.94 115.76 1s72 s TRP 71 Ca 0.00 1.43 0.10 0.00 1.22 0.00 0.00 56.10 58.86 1s72 s TRP 71 Cb 0.00 -3.12 0.15 0.00 -1.50 0.00 0.00 33.47 29.00 1s72 s TRP 71 CO 0.00 -0.26 1.05 -1.91 -4.62 0.00 0.00 176.95 171.22 1s72 n GLU 72 N 5.24 1.66 -4.17 5.86 2.13 -1.26 -4.26 120.64 125.86 1s72 n GLU 72 Ca 0.07 -1.98 -0.27 0.00 0.66 0.00 0.00 57.16 55.64 1s72 n GLU 72 Cb 0.48 -1.20 -0.05 0.00 0.27 0.00 0.00 31.44 30.95 1s72 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s72 s ALA 73 N -1.86 3.99 0.99 4.31 0.00 -1.26 -4.88 121.76 123.05 1s72 s ALA 73 Ca 0.17 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1s72 s ALA 73 Cb 0.15 -0.43 0.17 0.00 0.00 0.00 0.00 23.12 23.02 1s72 s ALA 73 CO 0.02 -0.23 1.03 -2.30 0.00 0.00 0.00 175.76 174.27 1s72 n PRO 74 N -1.43 -0.98 -0.05 0.00 -0.02 -1.26 -4.96 135.00 126.30 1s72 n PRO 74 Ca -0.05 -0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.24 1s72 n PRO 74 Cb 0.65 -2.27 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 1s72 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1s72 n THR 75 N -4.40 1.32 -2.00 3.45 -2.24 -1.26 -4.71 114.28 104.44 1s72 n THR 75 Ca 0.09 -1.41 -0.28 0.00 -2.27 0.00 0.00 64.05 60.18 1s72 n THR 75 Cb 0.53 0.25 0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1s72 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s72 n GLY 76 N -0.69 6.13 3.45 3.38 0.00 -1.08 -4.00 105.19 112.37 1s72 n GLY 76 Ca 0.07 -2.61 -0.23 0.00 0.00 0.00 0.00 46.02 43.24 1s72 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s72 s ASN 77 N -3.03 2.38 0.11 1.61 2.20 -1.26 -4.99 114.94 111.96 1s72 s ASN 77 Ca 0.53 -1.65 -0.27 0.00 -0.94 0.00 0.00 52.86 50.52 1s72 s ASN 77 Cb 0.43 0.47 -0.10 0.00 -2.00 0.00 0.00 41.25 40.05 1s72 s ASN 77 CO -0.07 -0.93 1.64 0.24 -2.94 0.00 0.00 177.10 175.04 1s72 h MET 78 N 1.93 -0.46 -0.56 3.55 2.86 -1.88 -1.12 114.93 119.25 1s72 h MET 78 Ca -0.34 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1s72 h MET 78 Cb 1.26 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 1s72 h MET 78 CO 0.53 -0.31 0.37 -1.35 1.06 0.00 0.00 176.91 177.22 1s72 h PRO 79 N -0.48 0.43 0.34 -0.22 0.11 -1.71 -1.63 132.00 128.84 1s72 h PRO 79 Ca 0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1s72 h PRO 79 Cb 0.49 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1s72 h PRO 79 CO -0.12 0.28 -0.17 1.03 -0.21 0.00 0.00 178.00 178.82 1s72 h SER 80 N 0.44 -0.39 -0.25 -2.05 0.87 -1.74 -2.67 113.55 107.76 1s72 h SER 80 Ca 0.25 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1s72 h SER 80 Cb 0.40 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 1s72 h SER 80 CO -0.07 -0.13 -0.13 0.00 -0.53 0.00 0.00 176.83 175.97 1s72 h ALA 81 N -0.06 0.08 -0.15 6.23 0.00 -0.37 -0.80 119.26 124.18 1s72 h ALA 81 Ca -0.05 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1s72 h ALA 81 Cb 0.46 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1s72 h ALA 81 CO 0.08 -0.54 -0.19 -0.92 0.00 0.00 0.00 179.25 177.68 1s72 h TYR 82 N -0.10 -0.49 -0.99 0.00 3.20 -1.35 -0.47 116.97 116.77 1s72 h TYR 82 Ca 0.13 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1s72 h TYR 82 Cb 0.30 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 1s72 h TYR 82 CO -0.31 -0.26 0.66 -0.07 -1.64 0.00 0.00 178.16 176.54 1s72 h LEU 83 N -0.23 1.14 -1.17 2.82 3.38 -1.11 0.36 115.31 120.50 1s72 h LEU 83 Ca 0.10 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1s72 h LEU 83 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1s72 h LEU 83 CO -0.28 0.82 -0.16 0.74 0.09 0.00 0.00 178.44 179.65 1s72 h THR 84 N 1.35 1.22 -0.08 0.22 2.02 -0.58 0.11 112.91 117.18 1s72 h THR 84 Ca 0.36 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1s72 h THR 84 Cb -0.15 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1s72 h THR 84 CO -0.08 0.32 -0.05 1.23 0.37 0.00 0.00 175.52 177.31 1s72 h GLY 85 N 0.90 0.19 0.99 2.16 0.00 0.19 -1.17 103.07 106.33 1s72 h GLY 85 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1s72 h GLY 85 CO 0.03 0.16 0.41 -2.00 0.00 0.00 0.00 176.54 175.14 1s72 h LEU 86 N -0.22 0.70 -0.15 3.11 5.85 -0.72 0.45 115.31 124.34 1s72 h LEU 86 Ca 0.02 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s72 h LEU 86 Cb 0.53 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1s72 h LEU 86 CO 0.01 0.51 0.08 0.25 -0.34 0.00 0.00 178.44 178.96 1s72 h LEU 87 N 0.83 0.18 -0.72 2.25 5.85 -0.75 0.13 115.31 123.08 1s72 h LEU 87 Ca 0.23 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1s72 h LEU 87 Cb -0.09 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1s72 h LEU 87 CO -0.05 0.19 0.23 0.00 -0.34 0.00 0.00 178.44 178.46 1s72 h ALA 88 N 0.99 0.94 -0.56 1.25 0.00 -0.86 -1.91 119.26 119.11 1s72 h ALA 88 Ca 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s72 h ALA 88 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1s72 h ALA 88 CO -0.01 0.62 0.35 0.78 0.00 0.00 0.00 179.25 180.99 1s72 h GLY 89 N 1.06 0.80 0.91 0.00 0.00 0.37 0.22 103.07 106.43 1s72 h GLY 89 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1s72 h GLY 89 CO -0.01 0.23 0.11 1.41 0.00 0.00 0.00 176.54 178.28 1s72 h LEU 90 N 0.69 0.34 -1.44 3.11 3.38 -0.49 0.18 115.31 121.09 1s72 h LEU 90 Ca 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1s72 h LEU 90 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1s72 h LEU 90 CO -0.09 0.40 0.19 0.03 0.09 0.00 0.00 178.44 179.07 1s72 h ARG 91 N 0.27 0.56 0.09 1.13 3.08 -1.05 -0.87 114.38 117.59 1s72 h ARG 91 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1s72 h ARG 91 Cb 0.16 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1s72 h ARG 91 CO -0.01 0.45 -0.04 0.00 -1.07 0.00 0.00 179.97 179.30 1s72 h ALA 92 N 1.64 -0.11 -0.44 0.04 0.00 0.22 -1.90 119.26 118.71 1s72 h ALA 92 Ca 0.14 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1s72 h ALA 92 Cb 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1s72 h ALA 92 CO -0.02 -0.52 0.12 1.96 0.00 0.00 0.00 179.25 180.79 1s72 h GLN 93 N -0.21 0.26 -0.78 0.00 1.08 -0.31 -0.80 115.11 114.35 1s72 h GLN 93 Ca -0.01 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1s72 h GLN 93 Cb 0.17 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 1s72 h GLN 93 CO 0.02 0.17 0.51 0.93 -0.95 0.00 0.00 178.83 179.51 1s72 h GLU 94 N 0.27 0.62 0.00 1.46 4.39 -0.91 0.12 114.58 120.52 1s72 h GLU 94 Ca 0.21 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1s72 h GLU 94 Cb 0.24 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1s72 h GLU 94 CO -0.25 0.41 0.00 0.00 -1.16 0.00 0.00 179.01 178.01 1s72 n ALA 95 N -2.46 2.55 -0.45 3.43 0.00 -0.38 -4.86 120.51 118.33 1s72 n ALA 95 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1s72 n ALA 95 Cb 0.39 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1s72 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 96 N 0.76 0.77 3.70 0.00 0.00 0.40 -5.06 105.19 105.76 1s72 n GLY 96 Ca 0.21 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1s72 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 97 N -2.00 5.01 -0.04 1.61 1.01 -0.76 -4.96 120.40 120.27 1s72 s VAL 97 Ca 0.00 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.52 1s72 s VAL 97 Cb 0.00 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 1s72 s VAL 97 CO 0.00 0.19 0.13 -0.62 0.00 0.00 0.00 175.10 174.80 1s72 n GLU 98 N 4.24 1.25 -3.86 2.72 1.02 -1.26 -3.91 120.64 120.83 1s72 n GLU 98 Ca -0.00 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.99 1s72 n GLU 98 Cb 0.51 -1.22 -0.08 0.00 -0.02 0.00 0.00 31.44 30.63 1s72 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1s72 s GLU 99 N -2.46 0.74 0.14 3.49 -1.05 -1.26 -1.16 118.70 117.14 1s72 s GLU 99 Ca -0.04 -0.79 -0.24 0.00 -0.15 0.00 0.00 54.97 53.75 1s72 s GLU 99 Cb 0.04 0.30 0.07 0.00 -0.44 0.00 0.00 34.13 34.11 1s72 s GLU 99 CO 0.37 -0.22 0.73 0.00 0.95 0.00 0.00 175.26 177.09 1s72 s ALA 100 N -3.13 -1.60 -0.06 -0.84 0.00 -0.81 -3.98 121.76 111.34 1s72 s ALA 100 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1s72 s ALA 100 Cb 0.02 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1s72 s ALA 100 CO -0.07 -0.83 -0.13 0.08 0.00 0.00 0.00 175.76 174.82 1s72 s VAL 101 N -3.57 3.18 -0.15 0.00 1.01 -0.24 -3.99 120.40 116.65 1s72 s VAL 101 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1s72 s VAL 101 Cb -0.02 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1s72 s VAL 101 CO -0.07 0.58 1.28 -0.22 0.00 0.00 0.00 175.10 176.68 1s72 s LEU 102 N -0.59 4.20 -0.33 3.92 2.96 -1.26 -0.36 118.68 127.22 1s72 s LEU 102 Ca 0.09 1.74 -0.05 0.00 -0.22 0.00 0.00 54.13 55.69 1s72 s LEU 102 Cb -0.11 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.08 1s72 s LEU 102 CO 0.01 -0.76 0.07 -0.62 -1.32 0.00 0.00 176.35 173.74 1s72 s ASP 103 N 2.01 5.18 -0.15 3.68 -1.08 -0.35 -4.90 116.67 121.05 1s72 s ASP 103 Ca 0.56 -1.18 0.17 0.00 -0.52 0.00 0.00 52.55 51.58 1s72 s ASP 103 Cb -0.23 -1.82 0.73 0.00 -1.46 0.00 0.00 42.92 40.15 1s72 s ASP 103 CO 0.16 -0.30 1.65 2.30 0.52 0.00 0.00 175.17 179.50 1s72 n ILE 104 N 4.75 2.15 -0.26 4.11 -5.35 -1.26 -1.15 119.36 122.34 1s72 n ILE 104 Ca -0.13 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.04 1s72 n ILE 104 Cb 0.44 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1s72 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s72 n GLY 105 N 0.84 3.06 0.83 3.28 0.00 -1.26 -1.44 105.19 110.50 1s72 n GLY 105 Ca 0.26 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1s72 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s72 n LEU 106 N 0.00 2.38 -4.84 0.99 4.77 -1.26 -4.92 117.00 114.13 1s72 n LEU 106 Ca 0.00 -1.20 -0.29 0.00 -0.03 0.00 0.00 56.01 54.49 1s72 n LEU 106 Cb 0.00 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 40.87 1s72 n LEU 106 CO 0.00 0.52 0.74 0.20 -1.33 0.00 0.00 177.39 177.52 1s72 s ASN 107 N -0.90 4.10 -0.11 -1.43 -0.87 -0.52 -5.06 114.94 110.16 1s72 s ASN 107 Ca 0.27 0.95 -0.05 0.00 -1.57 0.00 0.00 52.86 52.46 1s72 s ASN 107 Cb 0.15 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.25 39.82 1s72 s ASN 107 CO 0.17 -2.18 0.08 -0.44 -2.57 0.00 0.00 177.10 172.15 1s72 s SER 108 N -4.23 5.84 0.00 -1.22 0.01 -1.26 -4.99 113.70 107.84 1s72 s SER 108 Ca 0.62 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1s72 s SER 108 Cb -0.13 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1s72 s SER 108 CO 0.52 0.38 0.84 -2.65 0.41 0.00 0.00 173.24 172.74 1s72 n PRO 109 N 2.13 0.43 -2.10 12.44 -0.02 -1.26 -4.90 135.00 141.72 1s72 n PRO 109 Ca -0.19 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 1s72 n PRO 109 Cb 0.54 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.71 1s72 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s72 s THR 110 N 1.10 3.17 0.36 3.45 2.01 -1.26 -4.95 115.64 119.52 1s72 s THR 110 Ca 0.00 0.81 -0.27 0.00 0.31 0.00 0.00 61.69 62.53 1s72 s THR 110 Cb 0.00 -3.52 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 1s72 s THR 110 CO 0.00 0.05 1.26 -2.65 -0.69 0.00 0.00 174.62 172.59 1s72 n PRO 111 N 4.24 2.01 -1.03 4.92 -0.02 -1.26 -1.65 135.00 142.21 1s72 n PRO 111 Ca 0.13 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.30 1s72 n PRO 111 Cb 0.41 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1s72 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s72 n GLY 112 N 0.82 0.34 3.64 -1.23 0.00 0.19 -4.88 105.19 104.06 1s72 n GLY 112 Ca 0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1s72 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s72 s SER 113 N -2.08 1.90 0.22 1.61 0.01 -0.66 -4.60 113.70 110.10 1s72 s SER 113 Ca 0.00 0.95 0.05 0.00 1.31 0.00 0.00 55.95 58.26 1s72 s SER 113 Cb 0.00 -1.45 0.17 0.00 0.21 0.00 0.00 66.02 64.95 1s72 s SER 113 CO 0.00 -3.55 1.50 0.11 0.41 0.00 0.00 173.24 171.71 1s72 h LYS 114 N -2.18 0.16 -0.42 12.44 1.57 -1.95 -2.74 116.57 123.46 1s72 h LYS 114 Ca -0.51 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.08 1s72 h LYS 114 Cb 1.32 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1s72 h LYS 114 CO 0.49 0.81 0.05 -0.39 -0.57 0.00 0.00 179.45 179.83 1s72 h VAL 115 N 0.11 1.21 0.00 0.50 -1.51 -1.94 0.78 116.25 115.40 1s72 h VAL 115 Ca -0.02 -0.79 -0.13 0.00 -1.23 0.00 0.00 66.70 64.53 1s72 h VAL 115 Cb 1.27 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 1s72 h VAL 115 CO 0.11 0.28 -0.64 -0.26 -1.23 0.00 0.00 177.57 175.83 1s72 h PHE 116 N 0.62 0.00 -0.42 5.19 0.05 -1.89 -0.90 116.94 119.58 1s72 h PHE 116 Ca 0.13 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.82 1s72 h PHE 116 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 1s72 h PHE 116 CO 0.01 0.64 -0.15 0.00 -0.18 0.00 0.00 178.31 178.63 1s72 h ALA 117 N 1.36 0.58 -0.67 2.45 0.00 -1.03 0.26 119.26 122.22 1s72 h ALA 117 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1s72 h ALA 117 Cb 1.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1s72 h ALA 117 CO 0.08 0.51 0.43 0.82 0.00 0.00 0.00 179.25 181.09 1s72 h ILE 118 N 0.66 1.13 -0.82 0.00 2.04 -0.55 -0.16 117.51 119.82 1s72 h ILE 118 Ca 0.10 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1s72 h ILE 118 Cb 0.70 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1s72 h ILE 118 CO 0.05 0.16 0.35 -0.61 0.00 0.00 0.00 178.15 178.10 1s72 h GLN 119 N 0.86 1.20 -0.34 2.37 4.15 -0.62 -1.67 115.11 121.07 1s72 h GLN 119 Ca 0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1s72 h GLN 119 Cb -0.04 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 1s72 h GLN 119 CO -0.08 0.95 0.16 1.49 -1.93 0.00 0.00 178.83 179.42 1s72 h GLU 120 N 1.18 0.49 -0.06 1.69 4.81 0.50 -1.99 114.58 121.20 1s72 h GLU 120 Ca 0.28 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1s72 h GLU 120 Cb 0.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1s72 h GLU 120 CO -0.03 0.46 -0.09 0.78 -0.73 0.00 0.00 179.01 179.40 1s72 h GLY 121 N 0.41 -0.05 0.93 1.92 0.00 -0.73 -1.79 103.07 103.77 1s72 h GLY 121 Ca 0.12 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.60 1s72 h GLY 121 CO -0.01 -0.10 0.58 0.00 0.00 0.00 0.00 176.54 177.01 1s72 h ALA 122 N 0.91 1.49 -0.52 3.60 0.00 -1.18 -1.15 119.26 122.41 1s72 h ALA 122 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1s72 h ALA 122 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1s72 h ALA 122 CO -0.13 0.40 -0.02 0.82 0.00 0.00 0.00 179.25 180.31 1s72 h ILE 123 N 1.05 1.27 0.00 0.00 2.04 -0.94 -2.44 117.51 118.48 1s72 h ILE 123 Ca 0.37 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1s72 h ILE 123 Cb 0.12 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1s72 h ILE 123 CO -0.13 0.40 -0.26 0.44 0.00 0.00 0.00 178.15 178.60 1s72 h ASP 124 N 0.80 0.00 0.71 1.72 3.32 -0.72 -1.37 116.42 120.88 1s72 h ASP 124 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1s72 h ASP 124 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1s72 h ASP 124 CO 0.03 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 1s72 h ALA 125 N 1.74 1.00 0.00 3.45 0.00 -0.90 -3.45 119.26 121.10 1s72 h ALA 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s72 h ALA 125 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1s72 h ALA 125 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1s72 n GLY 126 N -0.26 1.12 3.71 0.00 0.00 -0.52 -4.64 105.19 104.60 1s72 n GLY 126 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s72 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s72 s LEU 127 N 0.00 4.36 -0.40 0.99 1.02 -0.95 -4.96 118.68 118.73 1s72 s LEU 127 Ca 0.00 2.07 -0.26 0.00 0.02 0.00 0.00 54.13 55.95 1s72 s LEU 127 Cb 0.00 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.65 1s72 s LEU 127 CO 0.00 -0.54 0.97 -1.81 0.02 0.00 0.00 176.35 174.99 1s72 s ASP 128 N 1.18 6.65 -0.04 2.29 1.01 -0.31 -4.10 116.67 123.35 1s72 s ASP 128 Ca 0.60 0.49 0.01 0.00 0.71 0.00 0.00 52.55 54.35 1s72 s ASP 128 Cb -0.31 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.17 1s72 s ASP 128 CO 0.28 -0.97 -0.02 -0.63 0.21 0.00 0.00 175.17 174.04 1s72 s ILE 129 N 3.71 0.38 -0.07 0.77 1.01 -1.26 -1.93 121.20 123.81 1s72 s ILE 129 Ca 0.40 -0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.70 1s72 s ILE 129 Cb -0.11 -0.44 -0.10 0.00 0.01 0.00 0.00 42.46 41.82 1s72 s ILE 129 CO 0.22 0.20 1.96 -2.65 0.00 0.00 0.00 174.94 174.67 1s72 n PRO 130 N 4.15 2.37 -3.06 2.79 -0.02 -1.26 -4.90 135.00 135.07 1s72 n PRO 130 Ca -0.24 0.85 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 1s72 n PRO 130 Cb 0.51 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1s72 n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1s72 n HIS 131 N 7.54 -0.86 -3.44 6.00 1.44 -1.26 -4.72 115.22 119.93 1s72 n HIS 131 Ca 0.23 -1.44 -0.19 0.00 -2.01 0.00 0.00 57.72 54.32 1s72 n HIS 131 Cb 0.35 0.27 -0.11 0.00 0.12 0.00 0.00 29.99 30.62 1s72 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1s72 s ASN 132 N -2.28 1.82 0.37 4.39 3.84 -1.26 -5.06 114.94 116.76 1s72 s ASN 132 Ca 0.19 -0.66 0.16 0.00 0.21 0.00 0.00 52.86 52.76 1s72 s ASN 132 Cb -0.00 0.37 1.07 0.00 -0.55 0.00 0.00 41.25 42.14 1s72 s ASN 132 CO 0.13 -0.38 1.72 0.44 -2.79 0.00 0.00 177.10 176.23 1s72 h ASP 133 N 8.29 0.51 -0.43 -4.21 3.32 -2.01 -2.01 116.42 119.89 1s72 h ASP 133 Ca -0.15 0.13 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 1s72 h ASP 133 Cb 1.09 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.56 1s72 h ASP 133 CO 0.33 0.02 0.29 -0.90 -1.72 0.00 0.00 179.24 177.26 1s72 n ASP 134 N -4.79 3.55 0.00 6.45 5.68 -1.26 -2.66 116.55 123.51 1s72 n ASP 134 Ca 0.28 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1s72 n ASP 134 Cb 0.92 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1s72 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1s72 n VAL 135 N -0.15 0.00 -3.24 2.12 3.14 -0.76 -4.98 118.33 114.46 1s72 n VAL 135 Ca 0.26 -0.43 -0.30 0.00 -2.96 0.00 0.00 64.34 60.91 1s72 n VAL 135 Cb 0.97 1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 34.76 1s72 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1s72 s LEU 136 N -1.21 4.02 0.64 6.55 1.43 -1.09 -0.64 118.68 128.39 1s72 s LEU 136 Ca 0.00 0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1s72 s LEU 136 Cb 0.00 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1s72 s LEU 136 CO 0.00 -0.22 1.08 0.00 0.23 0.00 0.00 176.35 177.44 1s72 s ALA 137 N -2.10 2.59 0.18 4.21 0.00 -1.26 -4.41 121.76 120.96 1s72 s ALA 137 Ca 0.46 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 1s72 s ALA 137 Cb -0.11 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 1s72 s ALA 137 CO 0.29 -1.10 1.32 0.16 0.00 0.00 0.00 175.76 176.42 1s72 s ASP 138 N -2.84 6.90 0.04 0.00 -4.77 -1.26 -4.84 116.67 109.90 1s72 s ASP 138 Ca 0.64 2.36 -0.01 0.00 -3.30 0.00 0.00 52.55 52.24 1s72 s ASP 138 Cb -0.18 -2.60 0.07 0.00 -1.09 0.00 0.00 42.92 39.12 1s72 s ASP 138 CO 0.42 -0.54 0.23 1.87 0.70 0.00 0.00 175.17 177.84 1s72 n TRP 139 N 2.93 0.05 -0.21 2.11 -0.00 -1.26 -0.93 117.44 120.14 1s72 n TRP 139 Ca 0.07 0.18 -0.00 0.00 -0.00 0.00 0.00 57.50 57.75 1s72 n TRP 139 Cb 0.43 -0.59 0.11 0.00 -0.00 0.00 0.00 31.31 31.26 1s72 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1s72 h GLN 140 N 0.00 0.47 -0.19 5.87 1.08 -1.99 -0.80 115.11 119.54 1s72 h GLN 140 Ca 0.07 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1s72 h GLN 140 Cb 0.11 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1s72 h GLN 140 CO -0.15 0.31 -0.27 -0.09 -0.95 0.00 0.00 178.83 177.68 1s72 h ARG 141 N 0.49 0.36 -0.58 1.46 2.43 -1.40 -1.63 114.38 115.50 1s72 h ARG 141 Ca 0.31 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1s72 h ARG 141 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1s72 h ARG 141 CO -0.27 0.61 0.20 1.15 -1.51 0.00 0.00 179.97 180.14 1s72 h THR 142 N 0.32 1.24 0.00 0.20 2.02 -1.28 -1.77 112.91 113.64 1s72 h THR 142 Ca 0.05 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1s72 h THR 142 Cb 0.65 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1s72 h THR 142 CO 0.05 0.30 -0.02 0.03 0.37 0.00 0.00 175.52 176.24 1s72 h ARG 143 N 0.81 0.00 0.00 6.66 3.08 -0.74 -2.62 114.38 121.57 1s72 h ARG 143 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1s72 h ARG 143 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1s72 h ARG 143 CO -0.01 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1s72 n GLY 144 N -1.41 1.31 0.29 0.04 0.00 -0.67 -4.40 105.19 100.35 1s72 n GLY 144 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1s72 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 h ALA 145 N 0.00 0.97 -0.78 4.61 0.00 -1.48 -1.92 119.26 120.66 1s72 h ALA 145 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1s72 h ALA 145 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1s72 h ALA 145 CO 0.00 0.28 0.54 1.12 0.00 0.00 0.00 179.25 181.19 1s72 h HIS 146 N 0.93 0.27 0.10 0.00 2.07 -1.82 -0.39 115.15 116.31 1s72 h HIS 146 Ca 0.29 0.01 -0.28 0.00 -2.85 0.00 0.00 60.37 57.54 1s72 h HIS 146 Cb -0.01 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 29.88 1s72 h HIS 146 CO -0.03 0.08 -1.36 0.97 -3.07 0.00 0.00 177.93 174.52 1s72 h ILE 147 N 0.21 1.35 0.27 6.12 2.10 -1.73 -2.56 117.51 123.28 1s72 h ILE 147 Ca 0.39 -2.98 -0.01 0.00 1.08 0.00 0.00 64.86 63.34 1s72 h ILE 147 Cb 1.20 2.83 0.00 0.00 -1.09 0.00 0.00 36.82 39.76 1s72 h ILE 147 CO -0.08 0.85 -0.13 0.00 -1.08 0.00 0.00 178.15 177.71 1s72 h ALA 148 N 0.61 -0.37 -0.73 0.18 0.00 -0.70 -1.54 119.26 116.72 1s72 h ALA 148 Ca -0.17 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1s72 h ALA 148 Cb 1.97 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1s72 h ALA 148 CO 0.17 -0.63 0.48 0.93 0.00 0.00 0.00 179.25 180.20 1s72 h GLU 149 N -0.52 0.72 -0.19 0.00 5.08 -1.26 0.78 114.58 119.19 1s72 h GLU 149 Ca -0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1s72 h GLU 149 Cb 0.39 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1s72 h GLU 149 CO 0.06 0.47 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.60 1s72 h TYR 150 N 0.74 0.29 0.00 4.33 3.20 -1.05 -0.02 116.97 124.45 1s72 h TYR 150 Ca 0.32 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1s72 h TYR 150 Cb 0.30 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1s72 h TYR 150 CO -0.00 0.33 0.00 0.22 -1.64 0.00 0.00 178.16 177.07 1s72 h ASP 151 N 0.28 0.00 -0.04 -2.11 1.82 0.15 -2.87 116.42 113.65 1s72 h ASP 151 Ca 0.06 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.65 1s72 h ASP 151 Cb 0.24 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 1s72 h ASP 151 CO 0.01 0.00 -0.10 -0.08 -1.61 0.00 0.00 179.24 177.46 1s72 h GLU 152 N 0.00 0.31 -1.61 0.28 4.57 -0.13 0.11 114.58 118.11 1s72 h GLU 152 Ca 0.00 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 1s72 h GLU 152 Cb 0.80 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.29 1s72 h GLU 152 CO 0.00 0.42 0.15 1.04 -1.18 0.00 0.00 179.01 179.45 1s72 n GLN 153 N -4.27 1.30 0.00 1.92 6.02 -1.08 -4.80 117.38 116.46 1s72 n GLN 153 Ca -0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1s72 n GLN 153 Cb 0.26 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1s72 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1s72 n LEU 154 N 0.84 0.00 0.00 1.08 7.94 0.38 -4.80 117.00 122.44 1s72 n LEU 154 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1s72 n LEU 154 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1s72 n LEU 154 CO 0.14 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.63 1s72 n GLU 155 N 0.00 0.00 -3.65 1.96 2.13 -1.26 -4.87 120.64 114.95 1s72 n GLU 155 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1s72 n GLU 155 Cb 0.00 -0.30 -0.06 0.00 0.27 0.00 0.00 31.44 31.35 1s72 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1s72 s GLU 156 N -0.25 0.60 0.08 5.31 2.02 -1.26 -5.14 118.70 120.06 1s72 s GLU 156 Ca 0.00 1.26 -0.37 0.00 0.02 0.00 0.00 54.97 55.88 1s72 s GLU 156 Cb 0.00 0.42 -0.17 0.00 0.10 0.00 0.00 34.13 34.48 1s72 s GLU 156 CO 0.00 -0.18 1.31 -2.30 0.02 0.00 0.00 175.26 174.11 1s72 n PRO 157 N 4.84 1.03 0.23 0.39 -0.02 -1.26 -4.85 135.00 135.36 1s72 n PRO 157 Ca -0.16 0.37 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1s72 n PRO 157 Cb 0.54 -1.99 0.55 0.00 -0.02 0.00 0.00 33.50 32.58 1s72 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1s72 h LEU 158 N 4.35 0.00 -8.93 2.45 5.85 -1.92 -3.41 115.31 113.70 1s72 h LEU 158 Ca -0.48 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 57.61 1s72 h LEU 158 Cb 1.35 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.19 1s72 h LEU 158 CO 0.76 0.21 -0.60 -0.31 -0.34 0.00 0.00 178.44 178.16 1s72 s TYR 159 N -3.92 3.16 -0.07 1.25 1.51 -1.26 -5.00 117.35 113.02 1s72 s TYR 159 Ca -0.01 -0.13 0.25 0.00 -1.01 0.00 0.00 57.07 56.17 1s72 s TYR 159 Cb 0.12 -2.08 0.77 0.00 -0.11 0.00 0.00 41.96 40.65 1s72 s TYR 159 CO 0.63 -0.01 1.76 1.03 -1.11 0.00 0.00 175.55 177.85 1s72 h SER 160 N 7.04 0.00 -3.55 2.29 0.87 -1.96 -3.43 113.55 114.80 1s72 h SER 160 Ca -0.36 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.54 1s72 h SER 160 Cb 1.18 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.98 1s72 h SER 160 CO 0.66 0.15 -0.73 -0.83 -0.53 0.00 0.00 176.83 175.55 1s72 s GLY 161 N -4.26 1.80 -0.24 5.77 0.00 -1.26 -5.05 107.32 104.08 1s72 s GLY 161 Ca 0.03 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 1s72 s GLY 161 CO 0.64 -1.15 1.31 -0.35 0.00 0.00 0.00 173.10 173.54 1s72 s ASP 162 N -2.09 6.77 -0.33 1.64 -1.08 -1.26 -4.65 116.67 115.67 1s72 s ASP 162 Ca 0.21 1.45 0.15 0.00 -0.52 0.00 0.00 52.55 53.84 1s72 s ASP 162 Cb -0.11 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.24 1s72 s ASP 162 CO 0.13 -0.96 1.40 0.33 0.52 0.00 0.00 175.17 176.59 1s72 n PHE 163 N 7.25 -1.17 0.00 -5.34 7.35 -1.26 -5.10 117.46 119.18 1s72 n PHE 163 Ca 0.15 -1.89 0.00 0.00 -0.76 0.00 0.00 57.45 54.95 1s72 n PHE 163 Cb 0.46 1.05 0.00 0.00 0.35 0.00 0.00 39.48 41.34 1s72 n PHE 163 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1s72 n ASP 164 N -1.16 0.00 -0.10 -2.13 5.68 -1.26 -4.71 116.55 112.87 1s72 n ASP 164 Ca -0.09 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.03 1s72 n ASP 164 Cb 0.85 0.17 -0.13 0.00 -1.14 0.00 0.00 41.12 40.87 1s72 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s72 n ALA 165 N 1.11 1.36 -0.81 2.12 0.00 -1.26 -4.37 120.51 118.66 1s72 n ALA 165 Ca 0.00 -1.05 0.08 0.00 0.00 0.00 0.00 53.44 52.47 1s72 n ALA 165 Cb 0.00 -0.24 0.37 0.00 0.00 0.00 0.00 19.45 19.58 1s72 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s72 n ALA 166 N -3.10 3.51 -0.59 0.00 0.00 -1.26 -4.46 120.51 114.61 1s72 n ALA 166 Ca -0.40 -1.84 0.07 0.00 0.00 0.00 0.00 53.44 51.27 1s72 n ALA 166 Cb 1.03 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 1s72 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s72 n ASP 167 N 0.69 -3.23 -3.58 0.00 8.00 -1.26 -4.77 116.55 112.40 1s72 n ASP 167 Ca 0.26 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.83 1s72 n ASP 167 Cb 1.06 -2.08 -0.14 0.00 -0.02 0.00 0.00 41.12 39.94 1s72 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s72 s LEU 168 N -3.51 -0.08 0.00 0.64 1.43 -1.26 -4.91 118.68 110.99 1s72 s LEU 168 Ca 0.00 0.01 0.26 0.00 -1.03 0.00 0.00 54.13 53.37 1s72 s LEU 168 Cb 0.00 0.32 0.62 0.00 0.03 0.00 0.00 46.19 47.17 1s72 s LEU 168 CO 0.00 -0.29 1.49 -2.65 0.23 0.00 0.00 176.35 175.13 1s72 n PRO 169 N 5.32 0.28 0.09 1.29 -0.02 -1.26 -3.32 135.00 137.38 1s72 n PRO 169 Ca -0.05 -0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.10 1s72 n PRO 169 Cb 0.50 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 1s72 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1s72 h GLU 170 N 0.39 0.39 -0.07 -0.52 3.07 -1.91 -3.02 114.58 112.91 1s72 h GLU 170 Ca 0.00 -0.54 -0.02 0.00 -0.50 0.00 0.00 59.36 58.30 1s72 h GLU 170 Cb 0.50 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1s72 h GLU 170 CO 0.00 1.21 -0.06 1.25 -1.40 0.00 0.00 179.01 180.02 1s72 h HIS 171 N 0.17 0.10 0.10 4.33 2.76 -1.94 -1.33 115.15 119.34 1s72 h HIS 171 Ca -0.13 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1s72 h HIS 171 Cb 1.83 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.76 1s72 h HIS 171 CO 0.07 0.16 -0.05 0.35 -1.30 0.00 0.00 177.93 177.17 1s72 h PHE 172 N 0.10 -0.13 -0.29 5.26 3.57 -1.64 -2.20 116.94 121.61 1s72 h PHE 172 Ca 0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1s72 h PHE 172 Cb 0.17 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1s72 h PHE 172 CO 0.00 0.04 0.16 -0.44 -2.23 0.00 0.00 178.31 175.84 1s72 h ASP 173 N -0.27 0.26 -0.68 0.41 3.32 -1.24 -0.84 116.42 117.38 1s72 h ASP 173 Ca -0.01 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.15 1s72 h ASP 173 Cb 0.22 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.64 1s72 h ASP 173 CO 0.02 0.19 0.27 -0.33 -1.72 0.00 0.00 179.24 177.67 1s72 h GLU 174 N 0.34 0.43 0.12 3.56 5.08 -1.20 0.14 114.58 123.06 1s72 h GLU 174 Ca 0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1s72 h GLU 174 Cb 0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1s72 h GLU 174 CO -0.06 0.29 -0.06 1.25 -1.00 0.00 0.00 179.01 179.43 1s72 h LEU 175 N 0.45 -0.14 -0.60 1.33 5.85 -0.93 -1.05 115.31 120.22 1s72 h LEU 175 Ca 0.35 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1s72 h LEU 175 Cb 0.47 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1s72 h LEU 175 CO -0.34 0.26 0.21 -0.09 -0.34 0.00 0.00 178.44 178.14 1s72 h ARG 176 N -0.57 0.37 -0.58 1.25 2.43 -0.90 0.16 114.38 116.54 1s72 h ARG 176 Ca -0.02 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1s72 h ARG 176 Cb 0.45 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 1s72 h ARG 176 CO 0.03 0.25 0.12 1.49 -1.51 0.00 0.00 179.97 180.35 1s72 h GLU 177 N 0.38 0.25 0.83 0.20 4.57 -0.65 -1.41 114.58 118.75 1s72 h GLU 177 Ca 0.30 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1s72 h GLU 177 Cb 0.38 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1s72 h GLU 177 CO -0.31 0.17 -0.40 1.15 -1.18 0.00 0.00 179.01 178.44 1s72 h THR 178 N 0.26 0.17 -0.51 0.32 2.02 0.44 -2.84 112.91 112.77 1s72 h THR 178 Ca 0.30 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.60 1s72 h THR 178 Cb 0.43 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1s72 h THR 178 CO -0.38 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 175.89 1s72 h LEU 179 N -1.13 0.00 0.00 2.58 3.38 -0.30 -1.81 115.31 118.02 1s72 h LEU 179 Ca -0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1s72 h LEU 179 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1s72 h LEU 179 CO 0.19 0.00 -0.34 0.25 0.09 0.00 0.00 178.44 178.63 1s72 h LEU 180 N 0.00 0.00-10.10 1.67 5.85 -1.03 -3.45 115.31 108.25 1s72 h LEU 180 Ca 0.24 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.42 1s72 h LEU 180 Cb 1.15 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.36 1s72 h LEU 180 CO -0.00 0.27 0.24 -0.67 -0.34 0.00 0.00 178.44 177.94 1s72 n ASP 181 N -3.14 0.80 0.01 1.25 -0.08 -0.68 -4.90 116.55 109.81 1s72 n ASP 181 Ca 0.02 0.61 0.13 0.00 -1.51 0.00 0.00 54.79 54.05 1s72 n ASP 181 Cb 0.64 -1.47 0.44 0.00 2.34 0.00 0.00 41.12 43.08 1s72 n ASP 181 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s72 n GLY 182 N 0.77 -1.40 0.12 0.27 0.00 -1.26 -3.89 105.19 99.80 1s72 n GLY 182 Ca 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1s72 n GLY 182 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s72 h ASP 183 N 0.00 0.00 -1.17 1.61 3.32 -1.91 -3.48 116.42 114.79 1s72 h ASP 183 Ca 0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 1s72 h ASP 183 Cb 0.52 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.12 1s72 h ASP 183 CO 0.00 0.48 0.17 0.00 -1.72 0.00 0.00 179.24 178.17 1s72 n ILE 184 N -3.05 0.00 -2.46 0.35 3.06 -1.25 -4.92 119.36 111.10 1s72 n ILE 184 Ca -0.03 -0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.82 1s72 n ILE 184 Cb 0.76 -0.21 -0.04 0.00 0.54 0.00 0.00 39.64 40.69 1s72 n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1s72 s GLU 185 N 0.16 4.59 0.00 9.51 2.02 -1.26 -5.10 118.70 128.62 1s72 s GLU 185 Ca 0.90 1.80 0.00 0.00 0.02 0.00 0.00 54.97 57.69 1s72 s GLU 185 Cb -1.19 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 29.81 1s72 s GLU 185 CO 0.55 0.10 0.00 1.28 0.02 0.00 0.00 175.26 177.21