#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9t n ARG 4 N 0.00 -0.73 -2.11 3.52 1.85 -1.26 -4.83 116.66 113.10 1s9t n ARG 4 Ca 0.00 -0.16 -0.38 0.00 -1.00 0.00 0.00 57.85 56.31 1s9t n ARG 4 Cb 0.00 -2.23 0.00 0.00 -1.05 0.00 0.00 32.46 29.18 1s9t n ARG 4 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1s9t s SER 5 N -2.46 6.09 0.32 2.89 0.01 -1.26 -4.74 113.70 114.54 1s9t s SER 5 Ca 0.65 2.50 -0.17 0.00 1.31 0.00 0.00 55.95 60.24 1s9t s SER 5 Cb -0.23 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.29 1s9t s SER 5 CO 0.61 -0.99 0.77 -0.76 0.41 0.00 0.00 173.24 173.29 1s9t s LEU 6 N -2.87 4.11 -0.26 2.44 1.43 0.08 -4.84 118.68 118.78 1s9t s LEU 6 Ca 0.62 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1s9t s LEU 6 Cb -0.34 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 1s9t s LEU 6 CO 0.42 -0.18 0.19 -0.63 0.23 0.00 0.00 176.35 176.39 1s9t s ILE 7 N -1.91 5.32 -0.23 -0.59 1.01 -1.26 -0.72 121.20 122.82 1s9t s ILE 7 Ca 0.53 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 61.36 1s9t s ILE 7 Cb -0.12 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1s9t s ILE 7 CO 0.18 0.29 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 1s9t s VAL 8 N 1.44 3.17 0.21 2.92 1.01 -0.04 0.40 120.40 129.51 1s9t s VAL 8 Ca 0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1s9t s VAL 8 Cb -0.15 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1s9t s VAL 8 CO 0.08 0.33 0.54 0.28 0.00 0.00 0.00 175.10 176.33 1s9t s THR 9 N 1.42 4.92 0.30 3.92 -1.32 0.38 -0.71 115.64 124.56 1s9t s THR 9 Ca 0.04 0.55 -0.09 0.00 -1.21 0.00 0.00 61.69 60.98 1s9t s THR 9 Cb -0.15 -3.64 0.04 0.00 -1.51 0.00 0.00 72.50 67.23 1s9t s THR 9 CO -0.04 0.01 0.55 1.07 -2.21 0.00 0.00 174.62 174.01 1s9t n THR 10 N 0.11 0.00 -3.93 5.08 5.66 -0.62 -1.84 114.28 118.75 1s9t n THR 10 Ca -0.01 -0.96 -0.10 0.00 -3.05 0.00 0.00 64.05 59.93 1s9t n THR 10 Cb 0.52 0.80 -0.10 0.00 -1.55 0.00 0.00 70.33 70.00 1s9t n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1s9t s ILE 11 N -2.42 0.10 -0.11 1.09 2.07 -1.26 -0.43 121.20 120.24 1s9t s ILE 11 Ca 0.16 -0.82 -0.30 0.00 -1.41 0.00 0.00 60.65 58.28 1s9t s ILE 11 Cb -0.03 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 1s9t s ILE 11 CO 0.11 -0.45 1.25 -0.76 -1.91 0.00 0.00 174.94 173.18 1s9t s LEU 12 N -1.46 4.23 -0.30 8.50 1.43 -1.26 -4.55 118.68 125.27 1s9t s LEU 12 Ca -0.15 1.77 -0.07 0.00 -1.03 0.00 0.00 54.13 54.65 1s9t s LEU 12 Cb -0.09 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.77 1s9t s LEU 12 CO 0.00 -0.68 0.84 -0.70 0.23 0.00 0.00 176.35 176.03 1s9t s GLU 13 N 2.88 0.37 0.32 1.70 2.56 -0.00 -4.97 118.70 121.55 1s9t s GLU 13 Ca 0.56 0.66 -0.29 0.00 0.00 0.00 0.00 54.97 55.90 1s9t s GLU 13 Cb -0.24 0.37 -0.10 0.00 2.00 0.00 0.00 34.13 36.16 1s9t s GLU 13 CO 0.19 -0.40 1.29 -1.21 -0.56 0.00 0.00 175.26 174.57 1s9t s GLU 14 N 2.90 4.39 -0.28 4.30 2.02 -1.25 -0.14 118.70 130.64 1s9t s GLU 14 Ca 0.09 2.17 0.12 0.00 0.02 0.00 0.00 54.97 57.37 1s9t s GLU 14 Cb -0.12 -3.09 0.71 0.00 0.10 0.00 0.00 34.13 31.73 1s9t s GLU 14 CO -0.16 -0.15 1.70 -0.35 0.02 0.00 0.00 175.26 176.32 1s9t n PRO 15 N 0.95 3.71 -0.01 0.39 -0.04 -1.26 -4.90 135.00 133.84 1s9t n PRO 15 Ca 0.00 -3.08 -0.17 0.00 -0.04 0.00 0.00 63.50 60.22 1s9t n PRO 15 Cb 0.42 -2.13 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 1s9t n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s9t h TYR 16 N 2.68 0.35 -3.16 0.54 -1.99 -0.87 -1.66 116.97 112.85 1s9t h TYR 16 Ca 0.16 -0.21 -0.24 0.00 2.00 0.00 0.00 58.73 60.44 1s9t h TYR 16 Cb 2.05 -0.03 -0.32 0.00 2.00 0.00 0.00 36.73 40.43 1s9t h TYR 16 CO 1.09 1.07 -0.58 0.08 -0.00 0.00 0.00 178.16 179.82 1s9t s VAL 17 N -2.85 -0.10 0.13 -2.88 1.01 0.13 -1.57 120.40 114.28 1s9t s VAL 17 Ca -0.15 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1s9t s VAL 17 Cb 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.15 1s9t s VAL 17 CO 0.77 0.08 0.45 -1.48 0.00 0.00 0.00 175.10 174.93 1s9t s LEU 18 N 1.42 0.14 0.06 3.92 2.34 -0.35 -0.82 118.68 125.39 1s9t s LEU 18 Ca -0.07 -0.22 -0.31 0.00 0.06 0.00 0.00 54.13 53.59 1s9t s LEU 18 Cb -0.11 2.04 -0.06 0.00 -0.56 0.00 0.00 46.19 47.50 1s9t s LEU 18 CO -0.07 -0.88 1.22 -0.36 -1.06 0.00 0.00 176.35 175.21 1s9t s PHE 19 N -3.76 3.40 0.16 3.48 0.40 -1.26 -1.11 117.98 119.29 1s9t s PHE 19 Ca 0.02 1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 57.31 1s9t s PHE 19 Cb 0.01 -3.45 -0.07 0.00 0.51 0.00 0.00 43.02 40.02 1s9t s PHE 19 CO -0.12 -1.41 1.10 0.21 0.70 0.00 0.00 175.22 175.69 1s9t s LYS 20 N 1.12 4.58 -0.01 0.44 2.20 0.47 -4.82 119.74 123.72 1s9t s LYS 20 Ca 0.59 1.70 -0.06 0.00 -0.36 0.00 0.00 55.97 57.84 1s9t s LYS 20 Cb -0.30 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1s9t s LYS 20 CO 0.29 0.05 0.24 0.15 -0.36 0.00 0.00 175.35 175.72 1s9t s LYS 21 N -0.16 3.55 -0.07 4.03 1.02 -1.26 -4.87 119.74 121.98 1s9t s LYS 21 Ca 0.50 -0.11 -0.31 0.00 0.02 0.00 0.00 55.97 56.08 1s9t s LYS 21 Cb -0.29 -3.10 0.08 0.00 -0.52 0.00 0.00 37.83 34.00 1s9t s LYS 21 CO 0.34 0.67 0.75 0.45 -0.92 0.00 0.00 175.35 176.64 1s9t s SER 22 N -1.62 -0.59 0.45 2.83 0.15 -1.26 -5.02 113.70 108.64 1s9t s SER 22 Ca 0.26 0.62 0.25 0.00 0.70 0.00 0.00 55.95 57.77 1s9t s SER 22 Cb -0.13 0.49 0.97 0.00 -1.71 0.00 0.00 66.02 65.63 1s9t s SER 22 CO 0.15 -0.56 1.84 -2.24 1.20 0.00 0.00 173.24 173.63 1s9t h ASP 23 N 2.86 0.00 -2.48 5.45 2.03 -2.07 -3.44 116.42 118.77 1s9t h ASP 23 Ca -0.25 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.48 1s9t h ASP 23 Cb 1.15 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.56 1s9t h ASP 23 CO 0.37 0.20 -0.62 -0.54 -1.03 0.00 0.00 179.24 177.62 1s9t s LYS 24 N -3.66 2.48 0.30 4.15 -0.14 -1.26 -5.09 119.74 116.52 1s9t s LYS 24 Ca 0.01 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 1s9t s LYS 24 Cb 0.10 -2.33 -0.11 0.00 -1.68 0.00 0.00 37.83 33.81 1s9t s LYS 24 CO 0.63 0.41 1.57 -2.14 -0.76 0.00 0.00 175.35 175.05 1s9t s PRO 25 N -3.41 4.13 0.02 -1.68 0.02 -1.26 -5.01 135.00 127.81 1s9t s PRO 25 Ca 0.30 2.56 0.01 0.00 0.02 0.00 0.00 61.00 63.89 1s9t s PRO 25 Cb -0.08 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 1s9t s PRO 25 CO 0.20 -0.60 0.05 -0.51 -0.33 0.00 0.00 177.00 175.82 1s9t s LEU 26 N -0.77 3.75 0.12 -5.54 1.43 -1.26 -5.12 118.68 111.29 1s9t s LEU 26 Ca 0.61 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 1s9t s LEU 26 Cb -0.47 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1s9t s LEU 26 CO 0.50 0.25 -0.14 -0.31 0.23 0.00 0.00 176.35 176.88 1s9t s TYR 27 N -1.20 1.41 0.00 0.29 1.51 -1.26 -4.80 117.35 113.30 1s9t s TYR 27 Ca 0.23 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1s9t s TYR 27 Cb -0.12 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1s9t s TYR 27 CO 0.14 0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.14 1s9t n GLY 28 N 0.57 2.43 0.33 0.71 0.00 -1.26 -2.02 105.19 105.95 1s9t n GLY 28 Ca -0.16 -0.25 0.17 0.00 0.00 0.00 0.00 46.02 45.78 1s9t n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s9t h ASN 29 N 3.99 0.00 0.48 1.61 -0.26 -1.96 -2.22 115.58 117.22 1s9t h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1s9t h ASN 29 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1s9t h ASN 29 CO 0.00 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.84 1s9t n ASP 30 N -3.70 0.06 0.14 5.81 8.00 -0.86 -2.71 116.55 123.29 1s9t n ASP 30 Ca 0.00 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.14 1s9t n ASP 30 Cb 0.25 -0.53 0.44 0.00 -0.02 0.00 0.00 41.12 41.27 1s9t n ASP 30 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1s9t h ARG 31 N 0.00 0.00 -6.24 -1.24 3.08 -1.51 -3.43 114.38 105.04 1s9t h ARG 31 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1s9t h ARG 31 Cb 0.24 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.14 1s9t h ARG 31 CO 0.00 0.00 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.06 1s9t s PHE 32 N -3.24 2.21 0.22 3.04 0.40 -1.10 -0.40 117.98 119.11 1s9t s PHE 32 Ca 0.07 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 1s9t s PHE 32 Cb 0.10 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.64 1s9t s PHE 32 CO 0.52 0.60 0.51 -1.83 0.70 0.00 0.00 175.22 175.72 1s9t s GLU 33 N -3.24 1.48 0.00 0.44 -1.05 -0.27 -4.67 118.70 111.39 1s9t s GLU 33 Ca 0.26 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1s9t s GLU 33 Cb -0.05 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1s9t s GLU 33 CO 0.12 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.12 1s9t n GLY 34 N -0.36 2.83 0.30 -3.83 0.00 -1.26 -1.21 105.19 101.66 1s9t n GLY 34 Ca -0.06 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1s9t n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1s9t h TYR 35 N 0.00 -0.75 0.00 1.61 3.20 -0.98 0.15 116.97 120.20 1s9t h TYR 35 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1s9t h TYR 35 Cb 0.00 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1s9t h TYR 35 CO 0.00 -0.35 -0.14 0.00 -1.64 0.00 0.00 178.16 176.03 1s9t h ILE 37 N 0.00 1.44 -0.40 0.00 1.08 -1.27 -1.22 117.51 117.14 1s9t h ILE 37 Ca -0.00 -2.67 -0.12 0.00 -0.39 0.00 0.00 64.86 61.67 1s9t h ILE 37 Cb 0.47 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 1s9t h ILE 37 CO 0.02 0.79 -0.24 0.44 -0.69 0.00 0.00 178.15 178.47 1s9t h ASP 38 N 0.16 0.90 -0.18 1.72 3.32 -0.21 -1.61 116.42 120.53 1s9t h ASP 38 Ca -0.09 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1s9t h ASP 38 Cb 1.70 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.99 1s9t h ASP 38 CO 0.17 1.13 0.11 0.25 -1.72 0.00 0.00 179.24 179.18 1s9t h LEU 39 N 0.68 0.21 -0.74 1.55 5.85 -1.07 -1.36 115.31 120.43 1s9t h LEU 39 Ca 0.08 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1s9t h LEU 39 Cb 0.81 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1s9t h LEU 39 CO 0.07 0.16 0.45 0.25 -0.34 0.00 0.00 178.44 179.03 1s9t h LEU 40 N 0.23 0.72 -0.45 2.25 5.85 -1.15 0.15 115.31 122.90 1s9t h LEU 40 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1s9t h LEU 40 Cb -0.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1s9t h LEU 40 CO -0.01 0.48 0.25 -0.09 -0.34 0.00 0.00 178.44 178.73 1s9t h ARG 41 N 0.85 0.63 -0.72 1.25 2.43 -0.89 -0.98 114.38 116.96 1s9t h ARG 41 Ca 0.32 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1s9t h ARG 41 Cb 0.11 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1s9t h ARG 41 CO -0.15 0.50 0.29 0.93 -1.51 0.00 0.00 179.97 180.03 1s9t h GLU 42 N 0.60 1.06 -0.37 0.20 4.39 -0.66 -2.48 114.58 117.31 1s9t h GLU 42 Ca 0.16 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1s9t h GLU 42 Cb 0.04 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1s9t h GLU 42 CO -0.03 0.85 0.10 -0.07 -1.16 0.00 0.00 179.01 178.70 1s9t h LEU 43 N 1.04 0.56 -0.97 1.33 3.38 -0.66 -1.77 115.31 118.22 1s9t h LEU 43 Ca 0.24 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1s9t h LEU 43 Cb 0.19 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1s9t h LEU 43 CO -0.02 0.64 0.64 0.77 0.09 0.00 0.00 178.44 180.56 1s9t h SER 44 N 0.46 1.07 0.14 -0.43 4.64 -0.83 -0.60 113.55 118.00 1s9t h SER 44 Ca 0.12 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.17 1s9t h SER 44 Cb 0.30 -0.25 0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1s9t h SER 44 CO 0.00 0.74 -1.11 0.71 -0.87 0.00 0.00 176.83 176.30 1s9t h THR 45 N 1.24 1.36 -0.62 2.95 1.35 -1.37 0.15 112.91 117.97 1s9t h THR 45 Ca 0.38 -2.48 -0.01 0.00 -0.55 0.00 0.00 66.41 63.75 1s9t h THR 45 Cb -0.02 2.88 -0.03 0.00 -1.73 0.00 0.00 68.15 69.26 1s9t h THR 45 CO -0.12 0.73 0.33 0.40 -0.25 0.00 0.00 175.52 176.62 1s9t h ILE 46 N 0.04 1.20 -0.00 6.82 2.04 -1.23 -3.18 117.51 123.20 1s9t h ILE 46 Ca -0.18 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1s9t h ILE 46 Cb 1.83 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1s9t h ILE 46 CO 0.21 0.22 -0.77 0.18 0.00 0.00 0.00 178.15 177.99 1s9t n LEU 47 N -4.55 0.94 -2.20 1.44 4.77 -0.24 -5.04 117.00 112.12 1s9t n LEU 47 Ca 0.04 -0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 55.66 1s9t n LEU 47 Cb 0.10 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1s9t n LEU 47 CO 0.37 0.22 0.14 0.61 -1.33 0.00 0.00 177.39 177.40 1s9t n GLY 48 N 1.49 -0.64 3.31 -0.72 0.00 0.34 -5.04 105.19 103.92 1s9t n GLY 48 Ca 0.05 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1s9t n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s9t s PHE 49 N -3.02 -0.24 0.37 1.61 -0.12 -0.14 -5.03 117.98 111.42 1s9t s PHE 49 Ca 0.02 0.22 0.07 0.00 -0.05 0.00 0.00 56.93 57.19 1s9t s PHE 49 Cb -0.00 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 1s9t s PHE 49 CO 0.33 -0.54 0.42 0.95 -0.05 0.00 0.00 175.22 176.34 1s9t s THR 50 N -2.29 3.33 0.15 -4.49 -4.23 -1.26 -4.62 115.64 102.23 1s9t s THR 50 Ca -0.07 -1.18 -0.24 0.00 -1.18 0.00 0.00 61.69 59.02 1s9t s THR 50 Cb -0.01 -3.15 0.07 0.00 1.34 0.00 0.00 72.50 70.74 1s9t s THR 50 CO -0.01 -0.09 0.70 -0.72 -0.54 0.00 0.00 174.62 173.96 1s9t s TYR 51 N -2.32 -0.42 -0.08 3.99 -0.85 -1.26 -0.74 117.35 115.66 1s9t s TYR 51 Ca 0.47 0.18 0.04 0.00 -0.52 0.00 0.00 57.07 57.25 1s9t s TYR 51 Cb -0.07 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 1s9t s TYR 51 CO 0.30 -0.85 -0.22 -1.21 -1.52 0.00 0.00 175.55 172.05 1s9t s GLU 52 N -3.62 2.87 -0.19 -3.49 2.02 0.10 -4.85 118.70 111.53 1s9t s GLU 52 Ca 0.04 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 1s9t s GLU 52 Cb -0.02 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1s9t s GLU 52 CO -0.08 0.30 0.41 0.42 0.02 0.00 0.00 175.26 176.32 1s9t s ILE 53 N 0.06 5.20 -0.06 -1.63 1.01 -1.26 -0.86 121.20 123.66 1s9t s ILE 53 Ca -0.09 0.74 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1s9t s ILE 53 Cb -0.15 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 1s9t s ILE 53 CO 0.06 0.27 -0.20 -0.13 0.00 0.00 0.00 174.94 174.93 1s9t s ARG 54 N 1.17 2.19 -0.04 2.79 0.52 0.11 -4.96 118.95 120.73 1s9t s ARG 54 Ca 0.20 -0.72 -0.27 0.00 -0.52 0.00 0.00 55.73 54.42 1s9t s ARG 54 Cb -0.15 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 1s9t s ARG 54 CO 0.08 0.26 0.86 -0.51 0.02 0.00 0.00 175.30 176.01 1s9t s LEU 55 N 0.07 4.34 -0.28 2.53 1.43 -1.26 -1.59 118.68 123.91 1s9t s LEU 55 Ca -0.07 1.44 -0.40 0.00 -1.03 0.00 0.00 54.13 54.07 1s9t s LEU 55 Cb -0.13 -3.35 -0.16 0.00 0.03 0.00 0.00 46.19 42.57 1s9t s LEU 55 CO 0.04 -0.21 1.73 0.55 0.23 0.00 0.00 176.35 178.69 1s9t n VAL 56 N 3.89 0.28 -0.32 -1.59 3.14 0.43 -4.84 118.33 119.32 1s9t n VAL 56 Ca 0.03 -0.05 0.02 0.00 -2.96 0.00 0.00 64.34 61.38 1s9t n VAL 56 Cb 0.51 -1.17 0.15 0.00 -1.06 0.00 0.00 33.84 32.27 1s9t n VAL 56 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1s9t h GLU 57 N 7.02 0.95 -0.06 1.45 5.08 -1.92 -1.68 114.58 125.42 1s9t h GLU 57 Ca -0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1s9t h GLU 57 Cb 1.32 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1s9t h GLU 57 CO 0.96 0.63 0.00 -0.40 -1.00 0.00 0.00 179.01 179.19 1s9t n ASP 58 N -4.62 0.84 -0.84 1.42 5.68 -1.26 -4.91 116.55 112.86 1s9t n ASP 58 Ca 0.13 -1.48 -0.11 0.00 -0.50 0.00 0.00 54.79 52.83 1s9t n ASP 58 Cb 0.20 -0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 1s9t n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s9t n GLY 59 N 1.00 1.17 3.69 6.12 0.00 -0.63 -4.96 105.19 111.58 1s9t n GLY 59 Ca 0.17 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1s9t n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9t s LYS 60 N -2.77 2.46 -0.10 1.61 1.02 -1.26 -4.98 119.74 115.72 1s9t s LYS 60 Ca 0.00 -1.25 -0.14 0.00 0.02 0.00 0.00 55.97 54.61 1s9t s LYS 60 Cb 0.00 -2.31 -0.11 0.00 -0.52 0.00 0.00 37.83 34.89 1s9t s LYS 60 CO 0.00 0.40 0.43 1.88 -0.92 0.00 0.00 175.35 177.14 1s9t h TYR 61 N 2.05 -0.07 0.00 3.18 -1.99 -1.86 -2.57 116.97 115.70 1s9t h TYR 61 Ca -0.46 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1s9t h TYR 61 Cb 1.23 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1s9t h TYR 61 CO 0.64 0.32 0.00 0.41 -0.00 0.00 0.00 178.16 179.53 1s9t n GLY 62 N 1.42 3.18 3.29 3.88 0.00 -0.44 -1.22 105.19 115.30 1s9t n GLY 62 Ca -0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1s9t n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9t s ALA 63 N 0.00 -0.47 -0.11 4.61 0.00 -1.24 -4.46 121.76 120.10 1s9t s ALA 63 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 1s9t s ALA 63 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1s9t s ALA 63 CO 0.00 -0.60 0.46 -1.14 0.00 0.00 0.00 175.76 174.48 1s9t s GLN 64 N -3.86 4.30 0.24 0.00 0.74 -1.26 -2.28 119.66 117.54 1s9t s GLN 64 Ca 0.07 0.44 -0.31 0.00 0.05 0.00 0.00 55.36 55.61 1s9t s GLN 64 Cb 0.03 -3.41 -0.11 0.00 1.10 0.00 0.00 33.01 30.62 1s9t s GLN 64 CO -0.09 0.22 1.58 0.34 -0.55 0.00 0.00 175.29 176.79 1s9t s ASP 65 N 0.43 6.47 0.46 6.67 -1.08 0.84 -4.88 116.67 125.58 1s9t s ASP 65 Ca 0.25 2.82 0.17 0.00 -0.52 0.00 0.00 52.55 55.27 1s9t s ASP 65 Cb -0.15 -2.62 1.09 0.00 -1.46 0.00 0.00 42.92 39.78 1s9t s ASP 65 CO 0.10 -0.87 2.01 0.44 0.52 0.00 0.00 175.17 177.37 1s9t h ASP 66 N 5.61 0.00 0.00 -0.34 3.32 -1.96 0.06 116.42 123.12 1s9t h ASP 66 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1s9t h ASP 66 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1s9t h ASP 66 CO 0.84 0.18 -0.09 0.58 -1.72 0.00 0.00 179.24 179.03 1s9t h VAL 67 N 0.00 0.00 -0.27 -1.35 2.07 -1.98 -3.41 116.25 111.30 1s9t h VAL 67 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1s9t h VAL 67 Cb 0.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1s9t h VAL 67 CO 0.02 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.15 1s9t n ASN 68 N -3.04 2.67 -1.07 0.57 0.23 -1.25 -4.97 115.26 108.40 1s9t n ASN 68 Ca -0.01 -1.88 -0.14 0.00 -0.53 0.00 0.00 54.58 52.02 1s9t n ASN 68 Cb 0.05 -0.17 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 1s9t n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s9t n GLY 69 N 1.34 1.33 3.81 4.83 0.00 0.01 -4.93 105.19 111.58 1s9t n GLY 69 Ca 0.18 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1s9t n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s9t s GLN 70 N -3.18 4.28 0.40 1.61 -1.52 -1.26 -4.49 119.66 115.50 1s9t s GLN 70 Ca 0.00 1.00 -0.05 0.00 -1.95 0.00 0.00 55.36 54.35 1s9t s GLN 70 Cb 0.00 -2.61 -0.04 0.00 -0.22 0.00 0.00 33.01 30.13 1s9t s GLN 70 CO 0.00 0.22 0.69 -1.58 -0.25 0.00 0.00 175.29 174.38 1s9t s TRP 71 N -1.79 3.52 0.01 0.91 0.52 -1.26 -0.11 118.94 120.74 1s9t s TRP 71 Ca 0.51 0.74 0.00 0.00 0.02 0.00 0.00 56.10 57.38 1s9t s TRP 71 Cb -0.14 -2.22 -0.00 0.00 -1.15 0.00 0.00 33.47 29.96 1s9t s TRP 71 CO 0.19 -0.08 0.00 0.27 0.02 0.00 0.00 176.95 177.36 1s9t n ASN 72 N -1.71 0.83 0.00 2.95 0.23 -0.97 -4.65 115.26 111.94 1s9t n ASN 72 Ca -0.00 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1s9t n ASN 72 Cb 0.55 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1s9t n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s9t n GLY 73 N 1.97 0.66 0.27 4.83 0.00 -1.26 -2.22 105.19 109.44 1s9t n GLY 73 Ca -0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 1s9t n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s9t h MET 74 N 0.00 0.54 -0.44 1.61 2.86 -0.73 -2.30 114.93 116.48 1s9t h MET 74 Ca 0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1s9t h MET 74 Cb 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1s9t h MET 74 CO 0.00 0.59 0.27 0.28 1.06 0.00 0.00 176.91 179.12 1s9t h VAL 75 N 0.51 1.07 -0.27 -2.22 2.07 -1.57 -2.02 116.25 113.82 1s9t h VAL 75 Ca 0.11 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1s9t h VAL 75 Cb 0.39 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1s9t h VAL 75 CO 0.02 0.10 -0.30 -0.09 0.02 0.00 0.00 177.57 177.31 1s9t h ARG 76 N 0.55 0.56 -0.31 1.57 9.65 -1.18 -1.90 114.38 123.33 1s9t h ARG 76 Ca 0.17 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1s9t h ARG 76 Cb -0.02 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1s9t h ARG 76 CO -0.06 0.80 -0.00 0.93 2.80 0.00 0.00 179.97 184.44 1s9t h GLU 77 N 0.48 0.48 -0.15 0.20 5.08 -0.94 -0.16 114.58 119.57 1s9t h GLU 77 Ca 0.06 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1s9t h GLU 77 Cb 0.77 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1s9t h GLU 77 CO 0.06 0.51 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.22 1s9t h LEU 78 N 0.46 0.51 -0.39 1.33 3.38 -1.13 0.35 115.31 119.82 1s9t h LEU 78 Ca 0.10 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.56 1s9t h LEU 78 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1s9t h LEU 78 CO 0.01 0.97 0.17 0.40 0.09 0.00 0.00 178.44 180.07 1s9t h ILE 79 N 0.08 0.93 0.00 1.22 2.04 -0.96 -0.89 117.51 119.93 1s9t h ILE 79 Ca 0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1s9t h ILE 79 Cb 0.88 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1s9t h ILE 79 CO 0.06 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.75 1s9t n ASP 80 N -4.97 0.00 -3.18 1.72 8.00 -0.11 -4.88 116.55 113.13 1s9t n ASP 80 Ca 0.02 -1.37 -0.23 0.00 0.71 0.00 0.00 54.79 53.92 1s9t n ASP 80 Cb 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.26 1s9t n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s9t n HIS 81 N -0.78 -2.08 1.14 1.24 8.25 -0.34 -4.85 115.22 117.80 1s9t n HIS 81 Ca 0.13 0.60 0.13 0.00 -0.26 0.00 0.00 57.72 58.31 1s9t n HIS 81 Cb 0.06 -4.33 0.38 0.00 1.12 0.00 0.00 29.99 27.22 1s9t n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s9t n LYS 82 N -4.15 0.37 -3.81 -0.41 5.02 0.12 -4.85 118.16 110.45 1s9t n LYS 82 Ca -0.08 -0.19 -0.12 0.00 -2.02 0.00 0.00 58.31 55.90 1s9t n LYS 82 Cb 0.60 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 1s9t n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s9t s ALA 83 N -2.76 -0.54 -0.04 7.82 0.00 -1.20 -4.95 121.76 120.09 1s9t s ALA 83 Ca 0.18 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1s9t s ALA 83 Cb 0.19 0.16 -0.25 0.00 0.00 0.00 0.00 23.12 23.22 1s9t s ALA 83 CO 0.59 -0.29 0.67 -0.44 0.00 0.00 0.00 175.76 176.29 1s9t h ASP 84 N 3.81 0.23 -5.18 0.00 3.32 -0.38 -3.43 116.42 114.78 1s9t h ASP 84 Ca -0.31 -0.42 -0.12 0.00 0.02 0.00 0.00 57.03 56.20 1s9t h ASP 84 Cb 1.19 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.50 1s9t h ASP 84 CO 0.43 1.37 -0.64 -0.76 -1.72 0.00 0.00 179.24 177.92 1s9t s LEU 85 N -6.63 2.29 -0.24 1.55 1.43 -1.05 -4.20 118.68 111.82 1s9t s LEU 85 Ca -0.10 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1s9t s LEU 85 Cb 0.07 0.31 0.07 0.00 0.03 0.00 0.00 46.19 46.67 1s9t s LEU 85 CO 0.82 -0.56 -0.03 0.00 0.23 0.00 0.00 176.35 176.80 1s9t s ALA 86 N -3.46 1.96 -0.38 4.21 0.00 -0.05 -0.47 121.76 123.57 1s9t s ALA 86 Ca 0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1s9t s ALA 86 Cb 0.04 -1.47 0.10 0.00 0.00 0.00 0.00 23.12 21.79 1s9t s ALA 86 CO -0.08 -1.25 0.15 0.08 0.00 0.00 0.00 175.76 174.65 1s9t s VAL 87 N 1.39 3.07 0.26 0.00 1.01 -0.77 -1.63 120.40 123.74 1s9t s VAL 87 Ca -0.04 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 59.77 1s9t s VAL 87 Cb -0.19 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.18 1s9t s VAL 87 CO -0.08 -0.58 0.88 0.00 0.00 0.00 0.00 175.10 175.32 1s9t n ALA 88 N 4.54 -2.17 -1.55 5.51 0.00 -1.26 -4.60 120.51 120.98 1s9t n ALA 88 Ca -0.03 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 1s9t n ALA 88 Cb 0.42 0.71 -0.01 0.00 0.00 0.00 0.00 19.45 20.56 1s9t n ALA 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s9t n PRO 89 N -0.61 2.77 -3.40 0.00 -0.04 -1.26 -4.68 135.00 127.79 1s9t n PRO 89 Ca -0.05 -2.39 -0.42 0.00 -0.04 0.00 0.00 63.50 60.61 1s9t n PRO 89 Cb 0.55 -3.13 -0.09 0.00 -0.04 0.00 0.00 33.50 30.79 1s9t n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s9t s LEU 90 N 1.66 4.63 0.19 1.53 2.96 -1.26 -5.02 118.68 123.38 1s9t s LEU 90 Ca 0.52 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.68 1s9t s LEU 90 Cb 0.15 -2.31 -0.09 0.00 0.50 0.00 0.00 46.19 44.44 1s9t s LEU 90 CO -0.05 -0.40 1.40 0.00 -1.32 0.00 0.00 176.35 175.98 1s9t s ALA 91 N 1.97 3.61 -0.35 5.97 0.00 -1.26 -1.84 121.76 129.86 1s9t s ALA 91 Ca 0.10 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 1s9t s ALA 91 Cb -0.17 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.43 1s9t s ALA 91 CO 0.12 -0.65 1.00 0.42 0.00 0.00 0.00 175.76 176.65 1s9t s ILE 92 N 0.43 4.53 0.16 0.00 1.01 0.70 -4.88 121.20 123.15 1s9t s ILE 92 Ca 0.61 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.75 1s9t s ILE 92 Cb -0.39 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 1s9t s ILE 92 CO 0.37 -0.54 -0.12 0.42 0.00 0.00 0.00 174.94 175.08 1s9t s THR 93 N 3.61 1.35 0.12 2.92 -4.23 -1.26 -4.51 115.64 113.64 1s9t s THR 93 Ca 0.42 -2.08 -0.19 0.00 -1.18 0.00 0.00 61.69 58.66 1s9t s THR 93 Cb -0.12 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 1s9t s THR 93 CO 0.18 -0.68 1.76 0.22 -0.54 0.00 0.00 174.62 175.55 1s9t h TYR 94 N 2.76 0.32 -0.38 3.99 3.20 -1.99 -0.57 116.97 124.30 1s9t h TYR 94 Ca -0.37 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.45 1s9t h TYR 94 Cb 1.20 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1s9t h TYR 94 CO 0.67 0.23 0.04 -0.39 -1.64 0.00 0.00 178.16 177.07 1s9t h VAL 95 N 0.31 1.20 -0.11 1.81 -1.51 -2.01 -2.57 116.25 113.37 1s9t h VAL 95 Ca 0.09 -0.77 -0.20 0.00 -1.23 0.00 0.00 66.70 64.59 1s9t h VAL 95 Cb 0.00 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1s9t h VAL 95 CO -0.02 0.27 -0.76 0.03 -1.23 0.00 0.00 177.57 175.86 1s9t h ARG 96 N 0.57 0.58 0.00 5.19 3.08 -1.88 -3.00 114.38 118.92 1s9t h ARG 96 Ca 0.12 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1s9t h ARG 96 Cb 0.31 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1s9t h ARG 96 CO 0.01 1.10 0.00 0.93 -1.07 0.00 0.00 179.97 180.94 1s9t h GLU 97 N 0.39 0.00 0.00 0.04 5.08 -0.70 0.23 114.58 119.63 1s9t h GLU 97 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1s9t h GLU 97 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1s9t h GLU 97 CO 0.14 0.00 -0.10 0.87 -1.00 0.00 0.00 179.01 178.93 1s9t h LYS 98 N 0.00 0.00 0.00 2.33 1.79 -1.39 -3.37 116.57 115.93 1s9t h LYS 98 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s9t h LYS 98 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1s9t h LYS 98 CO 0.00 0.10 -1.03 1.33 -1.08 0.00 0.00 179.45 178.77 1s9t n VAL 99 N -3.14 0.00 -4.09 0.50 0.24 -0.05 -5.08 118.33 106.71 1s9t n VAL 99 Ca 0.03 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 1s9t n VAL 99 Cb 0.51 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 1s9t n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s9t s ILE 100 N -2.04 0.12 0.12 1.34 -4.36 -0.49 -4.24 121.20 111.65 1s9t s ILE 100 Ca -0.00 -1.77 0.02 0.00 -0.26 0.00 0.00 60.65 58.64 1s9t s ILE 100 Cb 0.00 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 1s9t s ILE 100 CO 0.03 -0.55 0.22 -1.81 0.24 0.00 0.00 174.94 173.07 1s9t s ASP 101 N -3.00 6.12 0.08 4.36 1.01 -0.70 -4.11 116.67 120.43 1s9t s ASP 101 Ca 0.19 0.13 0.08 0.00 0.71 0.00 0.00 52.55 53.65 1s9t s ASP 101 Cb 0.07 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 1s9t s ASP 101 CO -0.01 0.10 -0.21 -0.36 0.21 0.00 0.00 175.17 174.90 1s9t s PHE 102 N -1.65 1.79 0.95 4.23 0.40 -1.26 -1.34 117.98 121.10 1s9t s PHE 102 Ca 0.34 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.11 1s9t s PHE 102 Cb -0.11 -1.01 0.20 0.00 0.51 0.00 0.00 43.02 42.60 1s9t s PHE 102 CO 0.27 0.17 1.31 -1.54 0.70 0.00 0.00 175.22 176.12 1s9t s SER 103 N -1.66 3.14 0.83 1.36 1.04 -0.29 -4.96 113.70 113.16 1s9t s SER 103 Ca 0.07 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 1s9t s SER 103 Cb -0.10 -0.24 0.09 0.00 0.10 0.00 0.00 66.02 65.87 1s9t s SER 103 CO 0.03 -2.71 1.10 -0.54 0.98 0.00 0.00 173.24 172.11 1s9t s LYS 104 N -5.85 1.76 0.44 4.02 -0.14 -1.26 -4.58 119.74 114.13 1s9t s LYS 104 Ca 0.74 1.21 -0.25 0.00 -1.36 0.00 0.00 55.97 56.32 1s9t s LYS 104 Cb -0.04 -1.84 -0.08 0.00 -1.68 0.00 0.00 37.83 34.20 1s9t s LYS 104 CO 0.53 -2.01 1.31 -2.14 -0.76 0.00 0.00 175.35 172.28 1s9t s PRO 105 N -4.84 3.75 0.00 -1.68 0.02 -1.26 -4.54 135.00 126.46 1s9t s PRO 105 Ca 0.63 2.15 0.13 0.00 0.02 0.00 0.00 61.00 63.93 1s9t s PRO 105 Cb -0.19 -2.60 0.01 0.00 0.02 0.00 0.00 34.50 31.74 1s9t s PRO 105 CO 0.57 -0.67 0.78 1.97 -0.33 0.00 0.00 177.00 179.32 1s9t n PHE 106 N -0.22 0.00 -3.62 6.54 1.16 0.52 -4.93 117.46 116.91 1s9t n PHE 106 Ca 0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 1s9t n PHE 106 Cb 0.44 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.24 1s9t n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1s9t s MET 107 N -1.58 0.79 0.09 3.97 0.00 -1.24 -5.00 119.30 116.33 1s9t s MET 107 Ca 0.12 0.86 0.06 0.00 0.00 0.00 0.00 55.69 56.73 1s9t s MET 107 Cb 0.11 0.38 -0.04 0.00 0.00 0.00 0.00 34.83 35.28 1s9t s MET 107 CO 0.31 -0.11 -0.05 0.95 0.00 0.00 0.00 175.02 176.12 1s9t s THR 108 N 0.22 3.68 0.01 10.11 -4.23 -1.26 -0.71 115.64 123.46 1s9t s THR 108 Ca -0.00 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1s9t s THR 108 Cb -0.05 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1s9t s THR 108 CO 0.00 0.14 0.03 0.00 -0.54 0.00 0.00 174.62 174.25 1s9t n LEU 109 N 0.71 0.00 -3.49 4.79 -0.00 -0.13 -4.86 117.00 114.02 1s9t n LEU 109 Ca -0.12 -0.09 -0.14 0.00 -0.00 0.00 0.00 56.01 55.66 1s9t n LEU 109 Cb 0.52 0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 44.04 1s9t n LEU 109 CO 0.36 -0.03 0.50 -0.83 -0.00 0.00 0.00 177.39 177.38 1s9t s GLY 110 N -1.23 -0.54 0.22 1.47 0.00 -1.26 -0.91 107.32 105.07 1s9t s GLY 110 Ca 0.01 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 1s9t s GLY 110 CO 0.00 0.61 1.27 -0.42 0.00 0.00 0.00 173.10 174.57 1s9t s ILE 111 N -2.31 3.22 0.21 0.90 1.01 -1.25 -0.04 121.20 122.93 1s9t s ILE 111 Ca -0.04 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.68 1s9t s ILE 111 Cb -0.01 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 1s9t s ILE 111 CO -0.01 0.18 0.24 -0.24 0.00 0.00 0.00 174.94 175.11 1s9t n SER 112 N 2.22 -0.66 -4.46 3.58 2.88 0.20 0.52 113.62 117.91 1s9t n SER 112 Ca 0.04 -2.24 -0.33 0.00 -1.33 0.00 0.00 58.87 55.01 1s9t n SER 112 Cb 0.43 1.33 -0.13 0.00 -0.75 0.00 0.00 64.21 65.09 1s9t n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s9t s ILE 113 N -2.73 3.53 -0.20 2.46 1.01 -1.24 -1.77 121.20 122.26 1s9t s ILE 113 Ca 0.21 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 1s9t s ILE 113 Cb 0.00 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1s9t s ILE 113 CO 0.15 0.52 0.03 -0.22 0.00 0.00 0.00 174.94 175.42 1s9t s LEU 114 N 0.20 3.48 0.31 2.97 2.96 0.14 0.43 118.68 129.18 1s9t s LEU 114 Ca -0.05 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 1s9t s LEU 114 Cb -0.14 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1s9t s LEU 114 CO 0.04 0.10 0.59 -0.47 -1.32 0.00 0.00 176.35 175.28 1s9t s TYR 115 N 0.82 0.43 0.59 5.38 5.04 -0.70 -0.66 117.35 128.24 1s9t s TYR 115 Ca 0.02 -0.85 -0.15 0.00 -2.44 0.00 0.00 57.07 53.65 1s9t s TYR 115 Cb -0.14 0.34 -0.04 0.00 0.35 0.00 0.00 41.96 42.47 1s9t s TYR 115 CO 0.02 -1.21 1.04 1.03 -1.34 0.00 0.00 175.55 175.09 1s9t s ARG 116 N -3.30 3.45 0.47 4.97 0.52 -1.26 -1.43 118.95 122.36 1s9t s ARG 116 Ca 0.21 1.07 0.03 0.00 -0.52 0.00 0.00 55.73 56.53 1s9t s ARG 116 Cb -0.02 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.40 1s9t s ARG 116 CO 0.13 -0.69 0.66 -1.59 0.02 0.00 0.00 175.30 173.83 1s9t s LYS 117 N -4.28 2.83 0.00 3.54 -2.85 -1.07 -4.44 119.74 113.48 1s9t s LYS 117 Ca 0.61 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.77 1s9t s LYS 117 Cb -0.14 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 1s9t s LYS 117 CO 0.39 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.86 1s9t n GLY 118 N -2.07 0.72 3.95 0.59 0.00 -1.26 -5.06 105.19 102.06 1s9t n GLY 118 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1s9t n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s9t s THR 119 N -2.78 3.93 -2.15 2.61 -4.23 -1.26 -5.01 115.64 106.74 1s9t s THR 119 Ca 0.00 -1.10 0.30 0.00 -1.18 0.00 0.00 61.69 59.71 1s9t s THR 119 Cb 0.00 -3.35 0.76 0.00 1.34 0.00 0.00 72.50 71.25 1s9t s THR 119 CO 0.00 -0.16 2.04 -0.81 -0.54 0.00 0.00 174.62 175.15 1s9t n PRO 120 N -1.56 1.21 -2.34 3.99 -0.04 -1.26 -4.80 135.00 130.19 1s9t n PRO 120 Ca -0.01 -0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 62.68 1s9t n PRO 120 Cb 0.59 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1s9t n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1s9t s ILE 121 N -2.03 4.13 0.00 0.52 -1.09 -1.26 -4.86 121.20 116.61 1s9t s ILE 121 Ca 0.43 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 1s9t s ILE 121 Cb 0.22 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1s9t s ILE 121 CO 0.36 -0.10 0.53 -0.67 -1.23 0.00 0.00 174.94 173.83 1s9t n ASP 122 N 6.48 0.83 -3.64 3.58 2.03 -1.26 -4.93 116.55 119.64 1s9t n ASP 122 Ca 0.14 -1.28 -0.02 0.00 0.52 0.00 0.00 54.79 54.15 1s9t n ASP 122 Cb 0.45 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1s9t n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s9t s SER 123 N -0.28 -0.10 0.27 1.67 1.04 -1.26 -3.48 113.70 111.55 1s9t s SER 123 Ca 0.00 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 1s9t s SER 123 Cb 0.00 0.41 0.37 0.00 0.10 0.00 0.00 66.02 66.89 1s9t s SER 123 CO 0.00 -0.77 1.86 0.00 0.98 0.00 0.00 173.24 175.32 1s9t h ALA 124 N 2.00 1.25 -0.75 5.32 0.00 -1.98 -2.23 119.26 122.87 1s9t h ALA 124 Ca -0.26 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1s9t h ALA 124 Cb 1.22 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1s9t h ALA 124 CO 0.28 0.57 0.48 -0.44 0.00 0.00 0.00 179.25 180.14 1s9t h ASP 125 N 0.99 0.79 0.03 0.00 3.32 -1.95 0.65 116.42 120.26 1s9t h ASP 125 Ca 0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1s9t h ASP 125 Cb 0.13 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1s9t h ASP 125 CO -0.03 0.55 -0.04 0.44 -1.72 0.00 0.00 179.24 178.44 1s9t h ASP 126 N 0.94 0.04 0.14 6.45 3.32 -1.79 -0.46 116.42 125.05 1s9t h ASP 126 Ca 0.30 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.14 1s9t h ASP 126 Cb -0.00 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.56 1s9t h ASP 126 CO -0.10 0.09 -0.86 -0.07 -1.72 0.00 0.00 179.24 176.57 1s9t h LEU 127 N 0.04 0.52 -1.41 1.55 3.38 -1.10 -3.35 115.31 114.95 1s9t h LEU 127 Ca 0.01 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 57.00 1s9t h LEU 127 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1s9t h LEU 127 CO 0.01 1.41 -0.27 0.00 0.09 0.00 0.00 178.44 179.68 1s9t h ALA 128 N 0.12 1.52 0.00 1.53 0.00 -0.46 -2.82 119.26 119.14 1s9t h ALA 128 Ca -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s9t h ALA 128 Cb 1.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1s9t h ALA 128 CO 0.16 0.36 0.00 0.36 0.00 0.00 0.00 179.25 180.13 1s9t n LYS 129 N -4.21 0.96 -4.18 0.00 2.85 -0.22 -4.82 118.16 108.54 1s9t n LYS 129 Ca -0.02 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.13 1s9t n LYS 129 Cb 0.33 -1.48 -0.10 0.00 -0.65 0.00 0.00 35.03 33.13 1s9t n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s9t s GLN 130 N -2.00 0.90 0.00 -1.58 1.03 -1.07 -5.06 119.66 111.88 1s9t s GLN 130 Ca 0.44 -1.38 0.00 0.00 0.04 0.00 0.00 55.36 54.46 1s9t s GLN 130 Cb 0.20 -0.17 0.00 0.00 0.03 0.00 0.00 33.01 33.08 1s9t s GLN 130 CO 0.34 -0.07 0.62 0.25 -2.54 0.00 0.00 175.29 173.89 1s9t n THR 131 N -0.09 0.39 0.02 3.63 -2.24 -1.26 -4.78 114.28 109.94 1s9t n THR 131 Ca -0.10 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1s9t n THR 131 Cb 0.62 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 1s9t n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s9t h LYS 132 N 0.00 -0.14 -6.20 -0.78 3.64 -1.97 -3.42 116.57 107.70 1s9t h LYS 132 Ca 0.00 0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 1s9t h LYS 132 Cb 0.45 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1s9t h LYS 132 CO 0.00 0.35 0.74 0.42 -2.27 0.00 0.00 179.45 178.70 1s9t s ILE 133 N -3.00 4.50 0.40 2.00 1.01 -1.26 -5.02 121.20 119.83 1s9t s ILE 133 Ca -0.12 1.80 -0.06 0.00 0.00 0.00 0.00 60.65 62.27 1s9t s ILE 133 Cb -0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1s9t s ILE 133 CO 0.47 -0.08 0.71 -1.61 0.00 0.00 0.00 174.94 174.43 1s9t s GLU 134 N 2.73 3.64 0.00 2.79 2.02 -1.19 -4.94 118.70 123.75 1s9t s GLU 134 Ca 0.51 0.20 -0.14 0.00 0.02 0.00 0.00 54.97 55.56 1s9t s GLU 134 Cb -0.20 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.59 1s9t s GLU 134 CO 0.15 -0.02 0.29 1.52 0.02 0.00 0.00 175.26 177.22 1s9t s TYR 135 N -2.43 -0.14 0.00 1.61 -0.85 -1.26 -1.15 117.35 113.13 1s9t s TYR 135 Ca 0.47 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 57.17 1s9t s TYR 135 Cb -0.10 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1s9t s TYR 135 CO 0.36 -0.41 0.00 0.41 -1.52 0.00 0.00 175.55 174.39 1s9t n GLY 136 N 1.08 2.93 3.65 5.49 0.00 -0.96 -4.72 105.19 112.66 1s9t n GLY 136 Ca -0.21 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 1s9t n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9t s ALA 137 N -1.21 -0.37 0.30 4.61 0.00 -1.24 -0.65 121.76 123.22 1s9t s ALA 137 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 1s9t s ALA 137 Cb 0.00 1.01 -0.10 0.00 0.00 0.00 0.00 23.12 24.03 1s9t s ALA 137 CO 0.00 -0.89 1.15 0.54 0.00 0.00 0.00 175.76 176.56 1s9t s VAL 138 N -3.76 3.28 0.58 0.00 0.11 -1.26 -2.06 120.40 117.29 1s9t s VAL 138 Ca 0.21 1.27 -0.18 0.00 -2.93 0.00 0.00 61.98 60.34 1s9t s VAL 138 Cb -0.02 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1s9t s VAL 138 CO 0.10 0.29 1.14 -1.83 -3.33 0.00 0.00 175.10 171.47 1s9t s GLU 139 N -1.61 3.15 -1.49 1.54 -1.05 0.10 -3.63 118.70 115.71 1s9t s GLU 139 Ca 0.47 1.61 -0.12 0.00 -0.15 0.00 0.00 54.97 56.77 1s9t s GLU 139 Cb -0.34 -1.98 0.08 0.00 -0.44 0.00 0.00 34.13 31.45 1s9t s GLU 139 CO 0.44 -1.01 0.88 -0.25 0.95 0.00 0.00 175.26 176.26 1s9t n ASP 140 N -1.60 -4.84 -4.64 0.83 8.00 -1.26 -4.77 116.55 108.27 1s9t n ASP 140 Ca 0.12 -0.66 -0.30 0.00 0.71 0.00 0.00 54.79 54.66 1s9t n ASP 140 Cb 0.51 -3.88 -0.09 0.00 -0.02 0.00 0.00 41.12 37.64 1s9t n ASP 140 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s9t s GLY 141 N -3.14 2.77 0.27 0.44 0.00 -1.24 -1.32 107.32 105.10 1s9t s GLY 141 Ca 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1s9t s GLY 141 CO 0.73 -2.11 1.73 0.00 0.00 0.00 0.00 173.10 173.45 1s9t h ALA 142 N 1.57 1.09 -0.10 3.20 0.00 -1.90 -2.36 119.26 120.75 1s9t h ALA 142 Ca -0.43 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1s9t h ALA 142 Cb 1.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1s9t h ALA 142 CO 0.74 0.56 0.05 1.15 0.00 0.00 0.00 179.25 181.75 1s9t h THR 143 N 0.57 1.12 -0.31 0.00 2.02 -1.94 0.54 112.91 114.91 1s9t h THR 143 Ca 0.10 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.96 1s9t h THR 143 Cb 0.58 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1s9t h THR 143 CO 0.04 0.11 0.10 -0.03 0.37 0.00 0.00 175.52 176.10 1s9t h MET 144 N 0.03 0.22 -0.57 6.66 -1.53 -1.75 -1.85 114.93 116.14 1s9t h MET 144 Ca 0.03 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1s9t h MET 144 Cb 0.13 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.10 1s9t h MET 144 CO -0.00 0.15 0.34 1.15 0.14 0.00 0.00 176.91 178.69 1s9t h THR 145 N 0.23 1.16 -0.22 -0.77 2.02 -1.21 0.36 112.91 114.47 1s9t h THR 145 Ca 0.14 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1s9t h THR 145 Cb 0.12 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1s9t h THR 145 CO -0.15 0.16 0.13 0.15 0.37 0.00 0.00 175.52 176.18 1s9t h PHE 146 N 0.77 0.24 -0.35 3.16 3.57 -0.09 -1.36 116.94 122.89 1s9t h PHE 146 Ca 0.20 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1s9t h PHE 146 Cb -0.04 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1s9t h PHE 146 CO 0.00 0.14 -0.43 0.74 -2.23 0.00 0.00 178.31 176.54 1s9t h PHE 147 N 0.27 1.10 -0.16 0.41 -1.00 -0.88 -1.56 116.94 115.11 1s9t h PHE 147 Ca 0.09 -0.34 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 1s9t h PHE 147 Cb -0.01 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 1s9t h PHE 147 CO -0.08 1.17 0.06 -0.22 -1.61 0.00 0.00 178.31 177.63 1s9t h LYS 148 N 0.73 0.22 -0.05 1.51 3.64 -0.76 -2.82 116.57 119.04 1s9t h LYS 148 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1s9t h LYS 148 Cb 1.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1s9t h LYS 148 CO 0.10 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 179.11 1s9t n LYS 149 N -4.46 1.91 -2.39 1.90 5.02 -0.53 -5.00 118.16 114.61 1s9t n LYS 149 Ca -0.01 -1.77 -0.41 0.00 -2.02 0.00 0.00 58.31 54.11 1s9t n LYS 149 Cb 0.12 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1s9t n LYS 149 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1s9t s SER 150 N -1.70 7.12 0.00 4.39 0.15 -0.60 -4.92 113.70 118.14 1s9t s SER 150 Ca 0.25 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.34 1s9t s SER 150 Cb 0.17 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 62.18 1s9t s SER 150 CO 0.26 -0.34 1.26 0.29 1.20 0.00 0.00 173.24 175.92 1s9t n LYS 151 N 2.29 2.17 -2.68 5.44 5.02 -1.26 -4.34 118.16 124.80 1s9t n LYS 151 Ca 0.03 -2.01 -0.43 0.00 -2.02 0.00 0.00 58.31 53.89 1s9t n LYS 151 Cb 0.45 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1s9t n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s9t s ILE 152 N -1.43 4.62 0.17 -0.18 1.01 -1.26 -4.91 121.20 119.21 1s9t s ILE 152 Ca 0.31 1.84 -0.20 0.00 0.00 0.00 0.00 60.65 62.59 1s9t s ILE 152 Cb 0.19 -4.34 0.08 0.00 0.01 0.00 0.00 42.46 38.40 1s9t s ILE 152 CO 0.27 -0.31 1.31 -1.54 0.00 0.00 0.00 174.94 174.67 1s9t n SER 153 N 6.53 -0.72 -0.23 3.58 3.41 -1.26 -0.00 113.62 124.93 1s9t n SER 153 Ca 0.11 1.49 0.00 0.00 -0.26 0.00 0.00 58.87 60.22 1s9t n SER 153 Cb 0.47 -0.27 0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1s9t n SER 153 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1s9t h THR 154 N 0.00 0.87 -0.01 6.66 2.02 -1.99 -0.42 112.91 120.04 1s9t h THR 154 Ca 0.22 -0.20 -0.22 0.00 0.77 0.00 0.00 66.41 66.97 1s9t h THR 154 Cb 0.43 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1s9t h THR 154 CO -0.82 0.11 -0.91 1.88 0.37 0.00 0.00 175.52 176.15 1s9t h TYR 155 N 0.60 0.62 -0.54 3.16 0.99 -1.41 -2.38 116.97 118.00 1s9t h TYR 155 Ca 0.33 -0.33 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1s9t h TYR 155 Cb 0.31 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 1s9t h TYR 155 CO -0.11 1.14 0.12 0.22 -0.00 0.00 0.00 178.16 179.53 1s9t h ASP 156 N 0.25 0.77 0.92 3.88 1.82 0.08 0.30 116.42 124.43 1s9t h ASP 156 Ca -0.07 -0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.32 1s9t h ASP 156 Cb 1.54 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.33 1s9t h ASP 156 CO 0.16 0.77 -0.51 0.50 -1.61 0.00 0.00 179.24 178.54 1s9t h LYS 157 N 0.80 0.00 -0.04 0.28 3.64 -1.04 -1.79 116.57 118.41 1s9t h LYS 157 Ca 0.17 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 1s9t h LYS 157 Cb 0.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1s9t h LYS 157 CO 0.00 0.51 -0.83 0.52 -2.27 0.00 0.00 179.45 177.38 1s9t h MET 158 N 0.00 0.42 -0.28 1.90 2.86 -0.82 -2.42 114.93 116.59 1s9t h MET 158 Ca -0.01 -0.39 -0.10 0.00 -2.06 0.00 0.00 59.70 57.14 1s9t h MET 158 Cb 1.11 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1s9t h MET 158 CO 0.07 1.04 -0.22 2.35 1.06 0.00 0.00 176.91 181.21 1s9t h TRP 159 N 0.26 0.76 -0.74 -0.22 2.91 -0.76 -0.95 115.95 117.21 1s9t h TRP 159 Ca -0.05 -0.21 0.12 0.00 1.13 0.00 0.00 58.89 59.88 1s9t h TRP 159 Cb 1.44 -0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 29.83 1s9t h TRP 159 CO 0.05 0.92 0.32 0.00 -1.03 0.00 0.00 178.44 178.70 1s9t h ALA 160 N 0.71 1.03 0.79 2.65 0.00 -1.27 0.63 119.26 123.80 1s9t h ALA 160 Ca 0.05 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1s9t h ALA 160 Cb 0.77 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1s9t h ALA 160 CO 0.06 -0.16 -0.38 0.35 0.00 0.00 0.00 179.25 179.12 1s9t h PHE 161 N 0.50 -0.99 -0.23 0.00 3.57 -1.14 -1.35 116.94 117.30 1s9t h PHE 161 Ca 0.39 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.90 1s9t h PHE 161 Cb 0.54 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1s9t h PHE 161 CO -0.14 -0.60 0.04 0.52 -2.23 0.00 0.00 178.31 175.90 1s9t h MET 162 N -1.13 0.13 -0.67 1.11 2.86 -0.68 -2.49 114.93 114.05 1s9t h MET 162 Ca -0.11 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1s9t h MET 162 Cb 0.83 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.38 1s9t h MET 162 CO 0.18 0.08 0.29 1.03 1.06 0.00 0.00 176.91 179.55 1s9t h SER 163 N 0.13 0.33 0.68 1.22 0.87 0.25 0.43 113.55 117.47 1s9t h SER 163 Ca 0.11 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1s9t h SER 163 Cb 0.11 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1s9t h SER 163 CO -0.14 0.18 0.00 -1.54 -0.53 0.00 0.00 176.83 174.80 1s9t n SER 164 N -4.94 0.35 -1.16 6.23 3.41 -0.51 -2.73 113.62 114.26 1s9t n SER 164 Ca 0.11 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 1s9t n SER 164 Cb 0.30 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1s9t n SER 164 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s9t n ARG 165 N -1.88 0.58 -0.37 4.33 1.74 -0.40 -4.96 116.66 115.70 1s9t n ARG 165 Ca 0.03 -2.47 -0.07 0.00 -0.77 0.00 0.00 57.85 54.57 1s9t n ARG 165 Cb 0.22 -0.60 -0.06 0.00 -1.02 0.00 0.00 32.46 31.01 1s9t n ARG 165 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s9t n ARG 166 N -0.10 -0.35 0.26 5.56 0.63 0.14 -0.86 116.66 121.94 1s9t n ARG 166 Ca 0.11 1.38 0.13 0.00 -0.92 0.00 0.00 57.85 58.55 1s9t n ARG 166 Cb 0.98 -2.04 0.70 0.00 0.45 0.00 0.00 32.46 32.55 1s9t n ARG 166 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1s9t h GLN 167 N 0.00 0.00 0.06 -0.14 4.20 -1.86 0.43 115.11 117.81 1s9t h GLN 167 Ca 0.19 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.59 1s9t h GLN 167 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1s9t h GLN 167 CO -0.87 0.13 -1.74 0.77 -0.67 0.00 0.00 178.83 176.45 1s9t h SER 168 N 0.00 0.21 0.00 1.46 0.02 -1.46 -3.41 113.55 110.37 1s9t h SER 168 Ca -0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1s9t h SER 168 Cb 0.41 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1s9t h SER 168 CO 0.02 1.37 -1.50 1.33 -1.14 0.00 0.00 176.83 176.91 1s9t n VAL 169 N -3.28 0.00 -3.22 2.27 0.24 -0.04 -4.90 118.33 109.40 1s9t n VAL 169 Ca -0.21 -0.29 -0.40 0.00 -2.04 0.00 0.00 64.34 61.41 1s9t n VAL 169 Cb 1.05 0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 33.62 1s9t n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1s9t s LEU 170 N -3.78 4.12 0.49 1.34 1.43 0.13 -3.63 118.68 118.79 1s9t s LEU 170 Ca -0.04 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1s9t s LEU 170 Cb 0.08 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.60 1s9t s LEU 170 CO 0.53 -0.23 0.67 0.68 0.23 0.00 0.00 176.35 178.24 1s9t s VAL 171 N 1.88 2.79 -0.20 -1.59 -7.23 -0.87 -4.74 120.40 110.43 1s9t s VAL 171 Ca 0.24 -0.86 0.16 0.00 -1.81 0.00 0.00 61.98 59.71 1s9t s VAL 171 Cb -0.15 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 33.95 1s9t s VAL 171 CO 0.09 0.00 1.43 0.11 -0.31 0.00 0.00 175.10 176.42 1s9t h LYS 172 N 0.36 0.00 -3.52 4.82 1.79 -1.94 0.31 116.57 118.40 1s9t h LYS 172 Ca -0.40 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.01 1s9t h LYS 172 Cb 1.29 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.81 1s9t h LYS 172 CO 0.47 0.40 -0.15 -1.54 -1.08 0.00 0.00 179.45 177.56 1s9t s SER 173 N -6.36 -0.14 0.39 0.86 1.04 -1.26 -4.76 113.70 103.47 1s9t s SER 173 Ca 0.04 -0.46 0.11 0.00 0.48 0.00 0.00 55.95 56.12 1s9t s SER 173 Cb 0.07 0.46 0.79 0.00 0.10 0.00 0.00 66.02 67.44 1s9t s SER 173 CO 0.74 -0.86 1.89 0.78 0.98 0.00 0.00 173.24 176.77 1s9t h ASN 174 N 2.44 0.11 -0.65 7.02 2.35 -1.94 -2.03 115.58 122.88 1s9t h ASN 174 Ca -0.33 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.34 1s9t h ASN 174 Cb 1.24 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1s9t h ASN 174 CO 0.48 0.35 0.22 -0.08 -1.65 0.00 0.00 177.43 176.75 1s9t h GLU 175 N 0.11 1.02 -0.38 0.81 4.57 -1.96 -0.92 114.58 117.83 1s9t h GLU 175 Ca 0.02 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1s9t h GLU 175 Cb 0.48 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1s9t h GLU 175 CO 0.03 0.87 0.03 1.49 -1.18 0.00 0.00 179.01 180.25 1s9t h GLU 176 N 0.99 0.58 -0.04 1.92 4.81 -1.78 -1.28 114.58 119.78 1s9t h GLU 176 Ca 0.22 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 1s9t h GLU 176 Cb 0.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1s9t h GLU 176 CO -0.01 0.58 -0.78 0.78 -0.73 0.00 0.00 179.01 178.85 1s9t h GLY 177 N 0.85 0.36 0.51 1.92 0.00 -1.08 -2.66 103.07 102.97 1s9t h GLY 177 Ca 0.12 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1s9t h GLY 177 CO 0.01 0.49 -0.01 -2.22 0.00 0.00 0.00 176.54 174.81 1s9t h ILE 178 N 0.21 1.35 -0.72 2.60 2.04 -0.88 -2.26 117.51 119.85 1s9t h ILE 178 Ca -0.04 -1.12 0.10 0.00 1.00 0.00 0.00 64.86 64.79 1s9t h ILE 178 Cb 1.37 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 39.50 1s9t h ILE 178 CO 0.13 0.29 0.48 1.56 0.00 0.00 0.00 178.15 180.60 1s9t h GLN 179 N -0.51 0.60 -0.48 2.37 1.08 -1.31 -1.40 115.11 115.46 1s9t h GLN 179 Ca -0.00 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1s9t h GLN 179 Cb 0.49 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1s9t h GLN 179 CO 0.00 0.40 -0.21 -0.09 -0.95 0.00 0.00 178.83 177.97 1s9t h ARG 180 N 0.62 1.00 0.00 1.46 2.43 -1.38 -2.17 114.38 116.33 1s9t h ARG 180 Ca 0.33 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1s9t h ARG 180 Cb 0.47 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1s9t h ARG 180 CO -0.12 1.10 -0.06 0.28 -1.51 0.00 0.00 179.97 179.67 1s9t h VAL 181 N 0.86 0.78 0.00 0.20 2.07 -0.65 0.11 116.25 119.62 1s9t h VAL 181 Ca 0.11 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1s9t h VAL 181 Cb 0.79 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1s9t h VAL 181 CO 0.07 0.06 -0.42 -0.07 0.02 0.00 0.00 177.57 177.23 1s9t h LEU 182 N 0.00 0.00 0.00 2.57 3.38 -1.03 -3.38 115.31 116.84 1s9t h LEU 182 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1s9t h LEU 182 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1s9t h LEU 182 CO 0.01 0.00 -1.65 0.35 0.09 0.00 0.00 178.44 177.24 1s9t n THR 183 N -2.88 0.40 -4.31 0.22 -2.24 -0.69 -5.07 114.28 99.72 1s9t n THR 183 Ca 0.02 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1s9t n THR 183 Cb 0.53 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 1s9t n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s9t s SER 184 N -3.88 1.27 -1.21 3.42 1.04 0.31 -5.04 113.70 109.61 1s9t s SER 184 Ca -0.05 -1.52 -0.20 0.00 0.48 0.00 0.00 55.95 54.66 1s9t s SER 184 Cb 0.05 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1s9t s SER 184 CO 0.47 -0.87 1.89 -0.67 0.98 0.00 0.00 173.24 175.03 1s9t n ASP 185 N -0.80 3.80 -3.93 7.02 -0.08 -1.26 -4.54 116.55 116.75 1s9t n ASP 185 Ca 0.02 -2.79 -0.18 0.00 -1.51 0.00 0.00 54.79 50.32 1s9t n ASP 185 Cb 0.65 -1.66 -0.15 0.00 2.34 0.00 0.00 41.12 42.29 1s9t n ASP 185 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1s9t s TYR 186 N 7.01 0.60 -0.06 -0.67 5.04 -1.26 -3.17 117.35 124.84 1s9t s TYR 186 Ca 0.60 -0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1s9t s TYR 186 Cb 0.04 -0.47 -0.03 0.00 0.35 0.00 0.00 41.96 41.85 1s9t s TYR 186 CO 0.09 -0.08 -0.02 0.00 -1.34 0.00 0.00 175.55 174.20 1s9t s ALA 187 N 0.32 3.19 -0.11 3.97 0.00 -0.30 -4.36 121.76 124.48 1s9t s ALA 187 Ca -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1s9t s ALA 187 Cb -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1s9t s ALA 187 CO -0.00 0.60 -0.22 0.12 0.00 0.00 0.00 175.76 176.26 1s9t s PHE 188 N -0.91 2.44 -0.33 0.00 5.36 0.16 -2.26 117.98 122.44 1s9t s PHE 188 Ca 0.15 -1.07 -0.19 0.00 -0.96 0.00 0.00 56.93 54.86 1s9t s PHE 188 Cb -0.11 -1.66 -0.01 0.00 -0.34 0.00 0.00 43.02 40.90 1s9t s PHE 188 CO 0.04 -0.46 0.55 -0.51 -1.46 0.00 0.00 175.22 173.38 1s9t s LEU 189 N 0.53 4.26 0.32 6.12 2.01 0.18 0.27 118.68 132.38 1s9t s LEU 189 Ca -0.15 0.13 -0.12 0.00 0.01 0.00 0.00 54.13 54.01 1s9t s LEU 189 Cb -0.17 -2.65 0.02 0.00 0.01 0.00 0.00 46.19 43.40 1s9t s LEU 189 CO 0.05 -0.47 0.60 0.00 1.01 0.00 0.00 176.35 177.54 1s9t s MET 190 N 2.46 1.90 0.15 1.70 0.23 -0.73 -4.49 119.30 120.52 1s9t s MET 190 Ca 0.21 -1.43 -0.30 0.00 -1.03 0.00 0.00 55.69 53.14 1s9t s MET 190 Cb -0.15 0.53 -0.07 0.00 -1.53 0.00 0.00 34.83 33.60 1s9t s MET 190 CO 0.13 -0.83 1.15 -1.21 -2.03 0.00 0.00 175.02 172.23 1s9t s GLU 191 N -3.19 4.52 0.38 3.16 2.02 -1.26 -0.62 118.70 123.70 1s9t s GLU 191 Ca 0.21 1.78 0.16 0.00 0.02 0.00 0.00 54.97 57.15 1s9t s GLU 191 Cb -0.03 -3.28 1.04 0.00 0.10 0.00 0.00 34.13 31.97 1s9t s GLU 191 CO 0.13 -0.06 1.77 0.66 0.02 0.00 0.00 175.26 177.78 1s9t h SER 192 N 5.54 0.50 -0.45 -0.19 4.64 -0.78 -1.17 113.55 121.65 1s9t h SER 192 Ca -0.44 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1s9t h SER 192 Cb 1.21 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1s9t h SER 192 CO 0.75 0.11 0.25 0.71 -0.87 0.00 0.00 176.83 177.78 1s9t h THR 193 N 0.45 1.16 -0.26 2.95 1.35 -1.89 -0.99 112.91 115.68 1s9t h THR 193 Ca 0.59 -0.40 -0.18 0.00 -0.55 0.00 0.00 66.41 65.87 1s9t h THR 193 Cb 1.40 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1s9t h THR 193 CO -0.32 0.17 -0.56 0.74 -0.25 0.00 0.00 175.52 175.29 1s9t h THR 194 N 0.59 1.28 -0.75 6.82 2.02 -1.67 -2.94 112.91 118.26 1s9t h THR 194 Ca 0.16 -1.76 0.03 0.00 0.77 0.00 0.00 66.41 65.61 1s9t h THR 194 Cb 0.05 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1s9t h THR 194 CO -0.03 0.57 0.50 0.40 0.37 0.00 0.00 175.52 177.33 1s9t h ILE 195 N 0.62 1.11 -0.25 3.11 2.04 -1.05 -0.39 117.51 122.71 1s9t h ILE 195 Ca 0.01 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1s9t h ILE 195 Cb 1.16 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1s9t h ILE 195 CO 0.12 0.17 0.13 -0.08 0.00 0.00 0.00 178.15 178.49 1s9t h GLU 196 N 0.92 0.27 -0.16 2.37 4.81 -1.01 -0.74 114.58 121.03 1s9t h GLU 196 Ca 0.30 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1s9t h GLU 196 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1s9t h GLU 196 CO -0.09 0.18 0.09 0.35 -0.73 0.00 0.00 179.01 178.81 1s9t h PHE 197 N 0.28 0.21 -0.09 0.92 3.57 -1.12 -2.35 116.94 118.36 1s9t h PHE 197 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1s9t h PHE 197 Cb 0.01 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1s9t h PHE 197 CO -0.09 0.20 0.05 0.28 -2.23 0.00 0.00 178.31 176.52 1s9t h VAL 198 N 0.17 1.09 0.00 1.41 2.07 -0.86 -2.76 116.25 117.36 1s9t h VAL 198 Ca 0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1s9t h VAL 198 Cb 0.05 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1s9t h VAL 198 CO -0.01 0.08 -0.12 0.71 0.02 0.00 0.00 177.57 178.25 1s9t h THR 199 N 0.05 0.39 0.00 2.57 1.35 -1.17 -1.15 112.91 114.94 1s9t h THR 199 Ca 0.03 -0.67 -0.10 0.00 -0.55 0.00 0.00 66.41 65.11 1s9t h THR 199 Cb 0.08 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1s9t h THR 199 CO -0.00 0.12 -0.50 -0.61 -0.25 0.00 0.00 175.52 174.27 1s9t h GLN 200 N 0.00 0.00 -0.02 4.72 5.75 -1.13 -3.20 115.11 121.22 1s9t h GLN 200 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1s9t h GLN 200 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1s9t h GLN 200 CO 0.02 0.50 0.00 0.54 -2.65 0.00 0.00 178.83 177.23 1s9t n ARG 201 N -3.81 1.18 -3.52 1.69 1.74 -0.81 -4.76 116.66 108.36 1s9t n ARG 201 Ca -0.01 -1.43 -0.29 0.00 -0.77 0.00 0.00 57.85 55.34 1s9t n ARG 201 Cb 0.53 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.55 1s9t n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s9t s ASN 202 N -1.30 3.12 0.18 0.55 3.84 -0.50 -4.98 114.94 115.85 1s9t s ASN 202 Ca 0.18 -2.28 0.10 0.00 0.21 0.00 0.00 52.86 51.07 1s9t s ASN 202 Cb 0.13 -0.53 0.52 0.00 -0.55 0.00 0.00 41.25 40.81 1s9t s ASN 202 CO 0.20 -0.30 1.21 0.00 -2.79 0.00 0.00 177.10 175.41 1s9t n ASN 204 N -1.81 0.54 -4.83 0.00 3.02 -1.26 -4.89 115.26 106.03 1s9t n ASN 204 Ca -0.01 0.11 -0.24 0.00 -0.03 0.00 0.00 54.58 54.41 1s9t n ASN 204 Cb 0.16 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1s9t n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s9t s LEU 205 N -3.69 3.89 0.07 3.41 1.43 0.63 -2.59 118.68 121.83 1s9t s LEU 205 Ca 0.09 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1s9t s LEU 205 Cb 0.15 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.96 1s9t s LEU 205 CO 0.67 0.02 0.49 0.28 0.23 0.00 0.00 176.35 178.04 1s9t s THR 206 N -1.90 0.04 0.27 5.49 -1.32 -0.52 -4.78 115.64 112.92 1s9t s THR 206 Ca 0.32 -0.31 -0.26 0.00 -1.21 0.00 0.00 61.69 60.23 1s9t s THR 206 Cb -0.09 -1.01 -0.09 0.00 -1.51 0.00 0.00 72.50 69.79 1s9t s THR 206 CO 0.25 -0.17 0.88 -1.58 -2.21 0.00 0.00 174.62 171.79 1s9t s GLN 207 N -2.86 4.58 -0.22 7.08 0.74 -1.26 -1.72 119.66 126.00 1s9t s GLN 207 Ca -0.03 1.26 -0.05 0.00 0.05 0.00 0.00 55.36 56.59 1s9t s GLN 207 Cb -0.00 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 1s9t s GLN 207 CO -0.05 0.38 -0.00 0.42 -0.55 0.00 0.00 175.29 175.49 1s9t s ILE 208 N -1.46 3.76 0.00 -2.34 -1.09 0.17 -4.92 121.20 115.32 1s9t s ILE 208 Ca 0.45 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1s9t s ILE 208 Cb -0.20 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 1s9t s ILE 208 CO 0.25 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 1s9t n GLY 209 N 4.65 -1.04 0.00 6.18 0.00 -1.23 -3.72 105.19 110.04 1s9t n GLY 209 Ca -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1s9t n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9t n GLY 210 N 0.00 2.97 3.73 -0.02 0.00 -1.26 -4.92 105.19 105.69 1s9t n GLY 210 Ca 0.00 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 1s9t n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9t s LEU 211 N 0.00 4.38 0.36 0.99 1.02 -1.26 -4.63 118.68 119.55 1s9t s LEU 211 Ca 0.00 1.40 0.20 0.00 0.02 0.00 0.00 54.13 55.74 1s9t s LEU 211 Cb 0.00 -3.25 0.20 0.00 0.02 0.00 0.00 46.19 43.17 1s9t s LEU 211 CO 0.00 -0.09 1.51 0.40 0.02 0.00 0.00 176.35 178.19 1s9t h ILE 212 N 4.50 0.37 -2.86 -0.59 2.04 -0.24 -3.48 117.51 117.24 1s9t h ILE 212 Ca -0.42 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 63.86 1s9t h ILE 212 Cb 1.20 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1s9t h ILE 212 CO 0.73 0.21 0.15 -0.90 0.00 0.00 0.00 178.15 178.34 1s9t n ASP 213 N -3.13 -1.57 -3.86 1.72 5.75 -1.26 -4.92 116.55 109.27 1s9t n ASP 213 Ca 0.03 -2.21 -0.20 0.00 -0.01 0.00 0.00 54.79 52.40 1s9t n ASP 213 Cb 0.62 2.65 -0.16 0.00 -1.03 0.00 0.00 41.12 43.20 1s9t n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1s9t s SER 214 N -2.53 0.96 0.04 -1.12 0.15 -1.26 -3.92 113.70 106.01 1s9t s SER 214 Ca 0.13 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 1s9t s SER 214 Cb -0.03 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1s9t s SER 214 CO 0.10 -0.08 0.06 2.29 1.20 0.00 0.00 173.24 176.81 1s9t n LYS 215 N 4.22 0.09 -3.88 5.44 2.85 -0.09 -4.99 118.16 121.80 1s9t n LYS 215 Ca -0.23 -0.25 -0.09 0.00 -1.05 0.00 0.00 58.31 56.69 1s9t n LYS 215 Cb 0.51 0.28 -0.06 0.00 -0.65 0.00 0.00 35.03 35.10 1s9t n LYS 215 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1s9t s GLY 216 N -1.21 0.26 -0.14 2.58 0.00 -1.26 -0.96 107.32 106.58 1s9t s GLY 216 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.99 1s9t s GLY 216 CO 0.02 -0.69 0.16 -0.19 0.00 0.00 0.00 173.10 172.39 1s9t s TYR 217 N -3.92 3.53 0.10 1.90 4.12 0.12 -0.22 117.35 122.98 1s9t s TYR 217 Ca 0.13 0.49 -0.02 0.00 0.02 0.00 0.00 57.07 57.69 1s9t s TYR 217 Cb 0.03 -2.06 -0.04 0.00 -1.52 0.00 0.00 41.96 38.37 1s9t s TYR 217 CO -0.03 0.55 0.04 0.20 0.02 0.00 0.00 175.55 176.33 1s9t s GLY 218 N -0.46 0.72 0.04 0.71 0.00 -0.77 -0.36 107.32 107.21 1s9t s GLY 218 Ca 0.13 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.25 1s9t s GLY 218 CO 0.03 -1.29 0.97 0.14 0.00 0.00 0.00 173.10 172.94 1s9t s VAL 219 N -3.99 4.73 0.08 1.40 1.01 -1.26 -4.46 120.40 117.91 1s9t s VAL 219 Ca 0.16 2.05 -0.04 0.00 0.00 0.00 0.00 61.98 64.16 1s9t s VAL 219 Cb 0.07 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1s9t s VAL 219 CO -0.03 0.22 0.30 -0.83 0.00 0.00 0.00 175.10 174.76 1s9t s GLY 220 N 0.61 2.23 0.06 4.51 0.00 -0.65 -1.14 107.32 112.94 1s9t s GLY 220 Ca 0.50 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1s9t s GLY 220 CO 0.29 -0.55 0.06 -0.51 0.00 0.00 0.00 173.10 172.38 1s9t s THR 221 N -1.52 0.19 0.57 0.90 -4.23 -0.45 -0.87 115.64 110.22 1s9t s THR 221 Ca 0.36 -1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 59.14 1s9t s THR 221 Cb -0.13 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 1s9t s THR 221 CO 0.23 -0.84 1.29 -2.84 -0.54 0.00 0.00 174.62 171.92 1s9t s PRO 222 N -3.77 3.04 0.34 3.99 0.02 -1.26 -1.72 135.00 135.63 1s9t s PRO 222 Ca 0.05 2.06 -0.28 0.00 0.02 0.00 0.00 61.00 62.84 1s9t s PRO 222 Cb 0.06 -2.11 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 1s9t s PRO 222 CO -0.10 -1.22 1.35 -0.12 -0.33 0.00 0.00 177.00 176.59 1s9t n MET 223 N -1.29 2.25 -0.98 5.54 1.56 -1.26 -1.58 117.12 121.36 1s9t n MET 223 Ca 0.12 0.79 0.00 0.00 -0.27 0.00 0.00 57.70 58.34 1s9t n MET 223 Cb 0.47 -2.42 0.00 0.00 2.15 0.00 0.00 33.22 33.42 1s9t n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1s9t n GLY 224 N 0.91 0.75 3.75 -5.12 0.00 -1.26 -4.97 105.19 99.26 1s9t n GLY 224 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1s9t n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s9t s SER 225 N -2.51 6.63 0.18 1.61 0.15 -0.61 -4.90 113.70 114.25 1s9t s SER 225 Ca 0.00 2.73 0.23 0.00 0.70 0.00 0.00 55.95 59.61 1s9t s SER 225 Cb 0.00 -2.63 0.90 0.00 -1.71 0.00 0.00 66.02 62.58 1s9t s SER 225 CO 0.00 -0.70 1.71 -0.81 1.20 0.00 0.00 173.24 174.65 1s9t n PRO 226 N 1.79 0.17 0.12 5.44 -0.04 -1.26 -3.01 135.00 138.20 1s9t n PRO 226 Ca 0.05 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1s9t n PRO 226 Cb 0.40 -1.76 0.05 0.00 -0.04 0.00 0.00 33.50 32.15 1s9t n PRO 226 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s9t h TYR 227 N 0.00 0.00 -0.32 0.54 0.05 -1.97 -3.37 116.97 111.91 1s9t h TYR 227 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 1s9t h TYR 227 Cb 0.46 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 1s9t h TYR 227 CO 0.00 0.70 -0.10 -0.09 -1.05 0.00 0.00 178.16 177.62 1s9t h ARG 228 N 0.00 -0.02 -0.31 4.88 1.12 -1.92 0.13 114.38 118.26 1s9t h ARG 228 Ca -0.01 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 1s9t h ARG 228 Cb 1.39 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.35 1s9t h ARG 228 CO 0.09 -0.02 -0.24 -0.44 -3.11 0.00 0.00 179.97 176.26 1s9t h ASP 229 N -0.03 0.60 -0.38 -3.80 3.32 -1.81 -1.61 116.42 112.72 1s9t h ASP 229 Ca 0.16 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1s9t h ASP 229 Cb 0.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1s9t h ASP 229 CO -0.34 0.82 0.05 0.11 -1.72 0.00 0.00 179.24 178.16 1s9t h LYS 230 N 0.52 0.64 -0.75 3.56 1.57 -1.56 -1.91 116.57 118.63 1s9t h LYS 230 Ca 0.08 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1s9t h LYS 230 Cb 0.69 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 1s9t h LYS 230 CO 0.05 0.71 0.38 0.82 -0.57 0.00 0.00 179.45 180.84 1s9t h ILE 231 N 0.47 1.23 -0.67 1.86 2.04 -0.57 -1.26 117.51 120.62 1s9t h ILE 231 Ca 0.11 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1s9t h ILE 231 Cb 0.39 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1s9t h ILE 231 CO 0.01 0.27 0.34 0.74 0.00 0.00 0.00 178.15 179.51 1s9t h THR 232 N 1.05 1.22 -0.62 -0.27 2.02 -1.04 0.11 112.91 115.38 1s9t h THR 232 Ca 0.26 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1s9t h THR 232 Cb 0.08 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1s9t h THR 232 CO -0.04 0.24 0.38 0.40 0.37 0.00 0.00 175.52 176.87 1s9t h ILE 233 N 0.91 1.18 -0.21 3.11 2.04 -0.61 0.38 117.51 124.32 1s9t h ILE 233 Ca 0.23 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1s9t h ILE 233 Cb 0.08 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1s9t h ILE 233 CO -0.03 0.19 0.08 0.00 0.00 0.00 0.00 178.15 178.38 1s9t h ALA 234 N 1.19 0.28 -0.44 1.87 0.00 -0.74 -1.55 119.26 119.87 1s9t h ALA 234 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1s9t h ALA 234 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s9t h ALA 234 CO -0.04 -0.11 0.21 0.82 0.00 0.00 0.00 179.25 180.12 1s9t h ILE 235 N 0.19 1.18 -0.30 0.00 2.04 -0.51 -0.44 117.51 119.66 1s9t h ILE 235 Ca 0.07 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1s9t h ILE 235 Cb 0.20 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1s9t h ILE 235 CO -0.00 0.20 0.03 -0.07 0.00 0.00 0.00 178.15 178.31 1s9t h LEU 236 N 0.57 0.42 -0.31 1.44 3.38 -0.88 0.87 115.31 120.80 1s9t h LEU 236 Ca 0.15 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1s9t h LEU 236 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1s9t h LEU 236 CO -0.02 0.46 -0.22 -0.61 0.09 0.00 0.00 178.44 178.15 1s9t h GLN 237 N 0.44 0.70 -0.33 1.13 4.15 -0.77 -1.29 115.11 119.14 1s9t h GLN 237 Ca 0.10 -0.33 -0.07 0.00 0.77 0.00 0.00 58.65 59.12 1s9t h GLN 237 Cb 0.25 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1s9t h GLN 237 CO 0.00 0.94 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.70 1s9t h LEU 238 N 0.46 0.52 0.79 -2.39 3.38 -0.63 -2.34 115.31 115.10 1s9t h LEU 238 Ca 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1s9t h LEU 238 Cb 0.77 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1s9t h LEU 238 CO 0.06 0.64 -0.38 -0.61 0.09 0.00 0.00 178.44 178.24 1s9t h GLN 239 N 0.51 -1.02 -0.95 1.13 5.75 -0.57 -0.98 115.11 118.99 1s9t h GLN 239 Ca 0.10 0.07 0.18 0.00 -0.15 0.00 0.00 58.65 58.85 1s9t h GLN 239 Cb 0.44 0.23 -0.11 0.00 1.07 0.00 0.00 27.48 29.12 1s9t h GLN 239 CO 0.02 -0.68 0.53 0.93 -2.65 0.00 0.00 178.83 176.99 1s9t h GLU 240 N -1.20 0.66 0.00 1.69 5.08 -1.17 0.49 114.58 120.13 1s9t h GLU 240 Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1s9t h GLU 240 Cb 0.81 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1s9t h GLU 240 CO 0.18 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 179.02 1s9t n GLU 241 N -4.83 0.10 -1.00 2.33 1.02 -0.89 -4.88 120.64 112.49 1s9t n GLU 241 Ca 0.21 0.14 -0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1s9t n GLU 241 Cb 0.54 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1s9t n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s9t n GLY 242 N 0.52 0.48 0.25 0.62 0.00 0.16 -4.93 105.19 102.30 1s9t n GLY 242 Ca 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1s9t n GLY 242 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s9t h LYS 243 N 0.87 0.82 -0.36 1.61 1.63 -1.37 -1.90 116.57 117.87 1s9t h LYS 243 Ca -0.00 -0.44 -0.06 0.00 -0.85 0.00 0.00 60.65 59.30 1s9t h LYS 243 Cb 0.02 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1s9t h LYS 243 CO 0.00 1.08 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.99 1s9t h LEU 244 N 0.66 0.55 -0.47 5.20 3.38 -1.76 -0.32 115.31 122.55 1s9t h LEU 244 Ca 0.05 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1s9t h LEU 244 Cb 0.99 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1s9t h LEU 244 CO 0.10 0.63 -0.25 -0.74 0.09 0.00 0.00 178.44 178.26 1s9t h HIS 245 N 0.55 1.15 -0.65 1.13 2.76 -1.81 -1.77 115.15 116.51 1s9t h HIS 245 Ca 0.11 -0.29 -0.06 0.00 -2.20 0.00 0.00 60.37 57.93 1s9t h HIS 245 Cb 0.38 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1s9t h HIS 245 CO 0.01 1.13 0.18 1.98 -1.30 0.00 0.00 177.93 179.93 1s9t h MET 246 N 0.85 1.01 -0.49 5.26 1.85 -0.79 -1.43 114.93 121.19 1s9t h MET 246 Ca 0.10 -0.22 -0.12 0.00 -0.61 0.00 0.00 59.70 58.85 1s9t h MET 246 Cb 0.84 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.71 1s9t h MET 246 CO 0.07 0.88 -0.18 0.52 -0.40 0.00 0.00 176.91 177.81 1s9t h MET 247 N 0.97 0.98 -0.04 0.39 2.07 -0.90 -1.09 114.93 117.30 1s9t h MET 247 Ca 0.21 -0.39 -0.00 0.00 -2.07 0.00 0.00 59.70 57.45 1s9t h MET 247 Cb 0.31 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.00 1s9t h MET 247 CO -0.00 1.06 0.02 -0.22 1.07 0.00 0.00 176.91 178.84 1s9t h LYS 248 N 0.85 0.06 -0.85 1.72 1.63 -1.04 -1.89 116.57 117.07 1s9t h LYS 248 Ca 0.12 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1s9t h LYS 248 Cb 0.74 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 1s9t h LYS 248 CO 0.06 0.21 0.55 0.93 -3.45 0.00 0.00 179.45 177.75 1s9t h GLU 249 N -0.10 1.12 -0.38 1.90 4.39 -1.18 0.51 114.58 120.84 1s9t h GLU 249 Ca 0.01 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1s9t h GLU 249 Cb 0.17 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1s9t h GLU 249 CO -0.00 0.75 0.17 -0.22 -1.16 0.00 0.00 179.01 178.55 1s9t h LYS 250 N 1.15 0.55 0.00 2.33 3.64 -0.96 0.43 116.57 123.72 1s9t h LYS 250 Ca 0.31 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1s9t h LYS 250 Cb -0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1s9t h LYS 250 CO -0.07 0.51 -0.56 0.91 -2.27 0.00 0.00 179.45 177.97 1s9t n TRP 251 N -4.69 0.31 -0.08 1.91 7.02 -0.73 -4.41 117.44 116.76 1s9t n TRP 251 Ca -0.00 0.09 -0.15 0.00 -1.02 0.00 0.00 57.50 56.42 1s9t n TRP 251 Cb 0.12 -0.49 -0.07 0.00 -2.42 0.00 0.00 31.31 28.45 1s9t n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1s9t n TRP 252 N -1.85 0.00 -0.40 -5.99 8.01 0.14 -4.82 117.44 112.53 1s9t n TRP 252 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 1s9t n TRP 252 Cb 0.40 -0.63 0.00 0.00 -2.01 0.00 0.00 31.31 29.07 1s9t n TRP 252 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22