#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 0.29 -1.91 3.52 1.85 -1.26 -4.81 116.66 114.33 1s9t n ARG 4 Ca 0.00 0.16 -0.37 0.00 -1.00 0.00 0.00 57.85 56.64 1s9t n ARG 4 Cb 0.00 -2.30 0.04 0.00 -1.05 0.00 0.00 32.46 29.15 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 -1.90 5.18 0.30 2.89 0.01 -1.26 -4.78 113.70 114.13 1s9t s SER 5 Ca 0.72 2.55 -0.12 0.00 1.31 0.00 0.00 55.95 60.41 1s9t s SER 5 Cb -0.31 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.23 1s9t s SER 5 CO 0.52 -1.61 0.67 -0.76 0.41 0.00 0.00 173.24 172.46 1s9t s LEU 6 N -3.87 4.07 -0.27 2.44 1.43 -0.33 -4.87 118.68 117.29 1s9t s LEU 6 Ca 0.76 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1s9t s LEU 6 Cb -0.35 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 1s9t s LEU 6 CO 0.39 -0.19 0.22 -0.63 0.23 0.00 0.00 176.35 176.38 1s9t s ILE 7 N -1.98 5.29 -0.24 -0.59 -1.09 -1.26 -0.85 121.20 120.47 1s9t s ILE 7 Ca 0.51 0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 59.14 1s9t s ILE 7 Cb -0.11 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1s9t s ILE 7 CO 0.21 0.25 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.46 1s9t s VAL 8 N 1.70 3.38 0.13 2.92 1.01 0.23 0.20 120.40 129.97 1s9t s VAL 8 Ca 0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1s9t s VAL 8 Cb -0.16 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1s9t s VAL 8 CO 0.10 0.31 0.51 0.28 0.00 0.00 0.00 175.10 176.31 1s9t s THR 9 N 1.45 4.91 0.26 3.92 -1.32 -0.01 -0.20 115.64 124.64 1s9t s THR 9 Ca 0.04 0.75 -0.06 0.00 -1.21 0.00 0.00 61.69 61.22 1s9t s THR 9 Cb -0.15 -3.72 0.02 0.00 -1.51 0.00 0.00 72.50 67.14 1s9t s THR 9 CO -0.02 0.26 0.44 1.07 -2.21 0.00 0.00 174.62 174.16 1s9t n THR 10 N 0.85 0.00 -3.89 5.08 5.66 -0.55 -2.22 114.28 119.21 1s9t n THR 10 Ca -0.06 -0.96 -0.11 0.00 -3.05 0.00 0.00 64.05 59.87 1s9t n THR 10 Cb 0.52 0.72 -0.11 0.00 -1.55 0.00 0.00 70.33 69.91 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 -2.55 0.07 -0.06 1.09 2.07 -1.26 -0.83 121.20 119.74 1s9t s ILE 11 Ca 0.16 -0.58 -0.30 0.00 -1.41 0.00 0.00 60.65 58.52 1s9t s ILE 11 Cb -0.02 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1s9t s ILE 11 CO 0.11 -0.32 1.35 -0.76 -1.91 0.00 0.00 174.94 173.42 1s9t s LEU 12 N -1.04 4.28 -0.30 8.50 1.43 -1.26 -4.55 118.68 125.73 1s9t s LEU 12 Ca -0.11 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.88 1s9t s LEU 12 Cb -0.07 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.79 1s9t s LEU 12 CO 0.01 -0.72 0.86 -0.70 0.23 0.00 0.00 176.35 176.03 1s9t s GLU 13 N 2.80 0.34 0.38 1.70 2.56 0.04 -4.97 118.70 121.55 1s9t s GLU 13 Ca 0.61 0.52 -0.26 0.00 0.00 0.00 0.00 54.97 55.84 1s9t s GLU 13 Cb -0.28 0.28 -0.09 0.00 2.00 0.00 0.00 34.13 36.04 1s9t s GLU 13 CO 0.23 -0.44 1.22 -1.21 -0.56 0.00 0.00 175.26 174.50 1s9t s GLU 14 N 2.91 4.12 -0.30 4.30 2.02 -1.25 0.05 118.70 130.56 1s9t s GLU 14 Ca 0.11 1.99 0.11 0.00 0.02 0.00 0.00 54.97 57.20 1s9t s GLU 14 Cb -0.10 -2.80 0.77 0.00 0.10 0.00 0.00 34.13 32.09 1s9t s GLU 14 CO -0.18 -0.31 1.80 -0.35 0.02 0.00 0.00 175.26 176.24 1s9t n PRO 15 N 0.29 4.03 -0.03 0.39 -0.04 -1.26 -4.89 135.00 133.49 1s9t n PRO 15 Ca 0.03 -3.12 -0.15 0.00 -0.04 0.00 0.00 63.50 60.22 1s9t n PRO 15 Cb 0.45 -2.23 -0.12 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.01 0.24 -3.19 0.54 -1.99 -0.72 -1.03 116.97 113.82 1s9t h TYR 16 Ca 0.20 -0.13 -0.24 0.00 2.00 0.00 0.00 58.73 60.55 1s9t h TYR 16 Cb 2.25 -0.03 -0.32 0.00 2.00 0.00 0.00 36.73 40.63 1s9t h TYR 16 CO 1.24 0.95 -0.59 0.08 -0.00 0.00 0.00 178.16 179.84 1s9t s VAL 17 N -3.04 -0.09 0.13 -2.88 1.01 0.11 -1.08 120.40 114.56 1s9t s VAL 17 Ca -0.16 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1s9t s VAL 17 Cb 0.01 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1s9t s VAL 17 CO 0.74 0.08 0.46 -1.48 0.00 0.00 0.00 175.10 174.90 1s9t s LEU 18 N 1.37 0.13 0.04 3.92 2.34 -0.01 -0.78 118.68 125.70 1s9t s LEU 18 Ca -0.07 -0.21 -0.31 0.00 0.06 0.00 0.00 54.13 53.60 1s9t s LEU 18 Cb -0.12 2.05 -0.06 0.00 -0.56 0.00 0.00 46.19 47.50 1s9t s LEU 18 CO -0.06 -0.88 1.28 -0.36 -1.06 0.00 0.00 176.35 175.28 1s9t s PHE 19 N -3.72 3.23 0.19 3.48 2.99 -1.26 -1.08 117.98 121.82 1s9t s PHE 19 Ca 0.02 1.11 -0.30 0.00 0.00 0.00 0.00 56.93 57.76 1s9t s PHE 19 Cb 0.01 -3.53 -0.08 0.00 0.00 0.00 0.00 43.02 39.42 1s9t s PHE 19 CO -0.12 -1.78 1.15 0.21 -0.00 0.00 0.00 175.22 174.68 1s9t s LYS 20 N 1.52 4.54 0.06 0.44 2.20 0.31 -4.82 119.74 123.99 1s9t s LYS 20 Ca 0.61 1.81 -0.15 0.00 -0.36 0.00 0.00 55.97 57.88 1s9t s LYS 20 Cb -0.31 -3.25 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 1s9t s LYS 20 CO 0.28 0.00 0.47 0.15 -0.36 0.00 0.00 175.35 175.88 1s9t s LYS 21 N -0.40 3.95 -0.07 4.03 1.02 -1.26 -4.88 119.74 122.13 1s9t s LYS 21 Ca 0.51 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 1s9t s LYS 21 Cb -0.31 -3.12 0.11 0.00 -0.52 0.00 0.00 37.83 33.99 1s9t s LYS 21 CO 0.36 0.61 0.92 0.45 -0.92 0.00 0.00 175.35 176.78 1s9t s SER 22 N -1.35 -0.38 -0.08 2.83 0.15 -1.26 -5.05 113.70 108.57 1s9t s SER 22 Ca 0.29 0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.90 1s9t s SER 22 Cb -0.16 0.36 -0.30 0.00 -1.71 0.00 0.00 66.02 64.21 1s9t s SER 22 CO 0.16 -0.51 0.82 -2.24 1.20 0.00 0.00 173.24 172.68 1s9t h ASP 23 N 2.26 0.34 -3.88 5.45 2.03 -2.06 -3.45 116.42 117.10 1s9t h ASP 23 Ca -0.21 -0.95 -0.47 0.00 -0.73 0.00 0.00 57.03 54.67 1s9t h ASP 23 Cb 1.21 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.58 1s9t h ASP 23 CO 0.31 1.33 0.36 -0.54 -1.03 0.00 0.00 179.24 179.67 1s9t s LYS 24 N -2.38 4.55 0.34 4.15 -0.14 -1.26 -4.99 119.74 120.01 1s9t s LYS 24 Ca -0.16 1.39 -0.29 0.00 -1.36 0.00 0.00 55.97 55.56 1s9t s LYS 24 Cb 0.00 -2.82 -0.12 0.00 -1.68 0.00 0.00 37.83 33.21 1s9t s LYS 24 CO 0.79 0.24 1.40 -2.30 -0.76 0.00 0.00 175.35 174.72 1s9t n PRO 25 N 0.58 2.35 -4.10 -1.68 -0.02 -1.26 -5.00 135.00 125.87 1s9t n PRO 25 Ca 0.02 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 62.02 1s9t n PRO 25 Cb 0.49 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1s9t n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s9t s LEU 26 N -1.15 3.73 0.09 2.45 1.43 -1.26 -5.13 118.68 118.84 1s9t s LEU 26 Ca 0.57 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1s9t s LEU 26 Cb -0.54 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1s9t s LEU 26 CO 0.60 0.21 -0.09 -0.31 0.23 0.00 0.00 176.35 176.98 1s9t s TYR 27 N -1.30 0.96 0.00 0.29 1.51 -1.26 -4.82 117.35 112.73 1s9t s TYR 27 Ca 0.26 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1s9t s TYR 27 Cb -0.12 -0.54 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1s9t s TYR 27 CO 0.18 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.99 1s9t n GLY 28 N 0.56 2.27 0.36 0.71 0.00 -1.26 -2.28 105.19 105.55 1s9t n GLY 28 Ca -0.16 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 5.55 0.00 0.41 1.61 -0.26 -1.96 -2.19 115.58 118.73 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 -0.67 -1.06 0.00 0.00 177.43 175.70 1s9t n ASP 30 N -4.15 0.00 0.18 5.81 2.03 -0.96 -2.69 116.55 116.78 1s9t n ASP 30 Ca 0.06 0.35 0.14 0.00 0.52 0.00 0.00 54.79 55.86 1s9t n ASP 30 Cb 0.47 -0.42 0.47 0.00 -0.72 0.00 0.00 41.12 40.92 1s9t n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1s9t h ARG 31 N 0.00 0.00 -6.12 -0.67 3.08 -1.50 -3.43 114.38 105.74 1s9t h ARG 31 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1s9t h ARG 31 Cb 0.20 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.11 1s9t h ARG 31 CO 0.00 0.00 -0.76 -0.06 -1.07 0.00 0.00 179.97 178.08 1s9t s PHE 32 N -3.36 2.20 0.24 3.04 0.40 -1.09 -0.53 117.98 118.89 1s9t s PHE 32 Ca 0.05 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.85 1s9t s PHE 32 Cb 0.09 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.67 1s9t s PHE 32 CO 0.53 0.66 0.56 -1.83 0.70 0.00 0.00 175.22 175.84 1s9t s GLU 33 N -3.52 1.58 0.00 0.44 -1.05 -0.24 -4.67 118.70 111.24 1s9t s GLU 33 Ca 0.29 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 1s9t s GLU 33 Cb -0.04 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1s9t s GLU 33 CO 0.14 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 176.07 1s9t n GLY 34 N -0.39 2.88 0.22 -3.83 0.00 -1.26 -0.83 105.19 101.97 1s9t n GLY 34 Ca -0.04 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.41 0.00 1.61 3.20 -0.63 0.21 116.97 120.95 1s9t h TYR 35 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1s9t h TYR 35 Cb 0.00 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1s9t h TYR 35 CO 0.00 -0.24 -0.21 0.00 -1.64 0.00 0.00 178.16 176.07 1s9t h ILE 37 N 0.00 1.35 -0.46 0.00 1.08 -1.24 -0.52 117.51 117.72 1s9t h ILE 37 Ca -0.00 -2.26 -0.11 0.00 -0.39 0.00 0.00 64.86 62.10 1s9t h ILE 37 Cb 0.56 2.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1s9t h ILE 37 CO 0.03 0.69 -0.12 0.44 -0.69 0.00 0.00 178.15 178.49 1s9t h ASP 38 N 0.32 0.91 -0.12 1.72 3.32 -0.57 -1.18 116.42 120.82 1s9t h ASP 38 Ca -0.07 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1s9t h ASP 38 Cb 1.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1s9t h ASP 38 CO 0.16 1.06 0.08 0.25 -1.72 0.00 0.00 179.24 179.08 1s9t h LEU 39 N 0.74 0.15 -0.66 1.55 5.85 -1.03 -1.50 115.31 120.39 1s9t h LEU 39 Ca 0.12 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1s9t h LEU 39 Cb 0.67 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1s9t h LEU 39 CO 0.05 0.12 0.34 0.25 -0.34 0.00 0.00 178.44 178.86 1s9t h LEU 40 N 0.16 0.48 -0.37 2.25 5.85 -0.94 -0.24 115.31 122.49 1s9t h LEU 40 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1s9t h LEU 40 Cb -0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1s9t h LEU 40 CO -0.01 0.30 0.25 -0.09 -0.34 0.00 0.00 178.44 178.54 1s9t h ARG 41 N 0.62 0.49 -0.62 1.25 2.43 -0.83 -1.56 114.38 116.16 1s9t h ARG 41 Ca 0.31 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1s9t h ARG 41 Cb 0.26 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1s9t h ARG 41 CO -0.22 0.32 0.27 0.93 -1.51 0.00 0.00 179.97 179.76 1s9t h GLU 42 N 0.50 0.90 -0.58 0.20 4.39 -0.61 -2.52 114.58 116.86 1s9t h GLU 42 Ca 0.14 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1s9t h GLU 42 Cb -0.06 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1s9t h GLU 42 CO -0.03 0.72 0.05 -0.07 -1.16 0.00 0.00 179.01 178.52 1s9t h LEU 43 N 0.89 0.95 -0.79 1.33 3.38 -0.66 -1.72 115.31 118.68 1s9t h LEU 43 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1s9t h LEU 43 Cb 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1s9t h LEU 43 CO -0.02 1.00 0.33 0.77 0.09 0.00 0.00 178.44 180.60 1s9t h SER 44 N 0.88 1.08 0.14 -0.43 4.64 -0.89 -0.37 113.55 118.59 1s9t h SER 44 Ca 0.17 -0.17 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1s9t h SER 44 Cb 0.48 -0.28 0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1s9t h SER 44 CO 0.02 0.95 -1.23 0.71 -0.87 0.00 0.00 176.83 176.41 1s9t h THR 45 N 1.14 1.30 -0.36 2.95 1.35 -1.42 0.14 112.91 118.03 1s9t h THR 45 Ca 0.26 -2.48 -0.02 0.00 -0.55 0.00 0.00 66.41 63.63 1s9t h THR 45 Cb 0.20 2.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 1s9t h THR 45 CO -0.02 0.75 0.16 0.40 -0.25 0.00 0.00 175.52 176.55 1s9t h ILE 46 N 0.20 1.18 -0.00 6.82 2.04 -1.27 -3.23 117.51 123.24 1s9t h ILE 46 Ca -0.19 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1s9t h ILE 46 Cb 1.92 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1s9t h ILE 46 CO 0.24 0.19 -0.65 0.18 0.00 0.00 0.00 178.15 178.11 1s9t n LEU 47 N -4.71 0.89 -2.15 1.44 4.77 -0.16 -5.03 117.00 112.06 1s9t n LEU 47 Ca -0.01 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 1s9t n LEU 47 Cb 0.12 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1s9t n LEU 47 CO 0.36 0.20 0.09 0.61 -1.33 0.00 0.00 177.39 177.32 1s9t n GLY 48 N 1.47 -0.38 3.26 -0.72 0.00 0.34 -5.03 105.19 104.13 1s9t n GLY 48 Ca 0.06 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.06 -0.15 0.36 1.61 -0.12 -0.24 -5.03 117.98 111.35 1s9t s PHE 49 Ca 0.07 0.07 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 1s9t s PHE 49 Cb -0.01 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1s9t s PHE 49 CO 0.30 -0.50 0.38 0.95 -0.05 0.00 0.00 175.22 176.30 1s9t s THR 50 N -2.33 3.40 0.23 -4.49 -4.23 -1.26 -4.61 115.64 102.35 1s9t s THR 50 Ca -0.06 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 58.98 1s9t s THR 50 Cb -0.02 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.69 1s9t s THR 50 CO -0.02 -0.11 0.66 -0.72 -0.54 0.00 0.00 174.62 173.89 1s9t s TYR 51 N -2.32 -0.34 -0.09 3.99 -0.85 -1.26 -1.18 117.35 115.30 1s9t s TYR 51 Ca 0.45 -0.01 0.03 0.00 -0.52 0.00 0.00 57.07 57.02 1s9t s TYR 51 Cb -0.06 0.64 0.01 0.00 0.38 0.00 0.00 41.96 42.92 1s9t s TYR 51 CO 0.28 -1.06 -0.19 -1.21 -1.52 0.00 0.00 175.55 171.85 1s9t s GLU 52 N -3.84 2.53 -0.17 -3.49 2.02 -0.03 -4.85 118.70 110.86 1s9t s GLU 52 Ca 0.07 -0.70 -0.18 0.00 0.02 0.00 0.00 54.97 54.18 1s9t s GLU 52 Cb -0.04 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1s9t s GLU 52 CO -0.02 0.10 0.51 0.42 0.02 0.00 0.00 175.26 176.29 1s9t s ILE 53 N 0.52 5.13 -0.02 -1.63 1.01 -1.26 -0.60 121.20 124.34 1s9t s ILE 53 Ca -0.16 0.96 0.06 0.00 0.00 0.00 0.00 60.65 61.51 1s9t s ILE 53 Cb -0.17 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1s9t s ILE 53 CO 0.06 0.23 -0.19 -0.13 0.00 0.00 0.00 174.94 174.91 1s9t s ARG 54 N 1.26 1.68 -0.03 2.79 0.52 0.72 -4.95 118.95 120.94 1s9t s ARG 54 Ca 0.25 -0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 54.53 1s9t s ARG 54 Cb -0.15 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 1s9t s ARG 54 CO 0.10 0.39 0.70 -0.51 0.02 0.00 0.00 175.30 176.00 1s9t s LEU 55 N -0.35 4.37 -0.26 2.53 1.43 -1.26 -1.49 118.68 123.66 1s9t s LEU 55 Ca 0.05 1.26 -0.38 0.00 -1.03 0.00 0.00 54.13 54.02 1s9t s LEU 55 Cb -0.09 -3.10 -0.14 0.00 0.03 0.00 0.00 46.19 42.89 1s9t s LEU 55 CO 0.00 -0.05 1.83 0.55 0.23 0.00 0.00 176.35 178.92 1s9t n VAL 56 N 3.35 0.35 -0.23 -1.59 3.14 -0.01 -4.85 118.33 118.49 1s9t n VAL 56 Ca -0.02 -0.09 0.03 0.00 -2.96 0.00 0.00 64.34 61.30 1s9t n VAL 56 Cb 0.51 -1.40 0.13 0.00 -1.06 0.00 0.00 33.84 32.02 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 8.25 0.13 -0.07 1.45 4.39 -1.93 -0.36 114.58 126.45 1s9t h GLU 57 Ca -0.44 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1s9t h GLU 57 Cb 1.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1s9t h GLU 57 CO 0.97 0.09 0.00 -0.40 -1.16 0.00 0.00 179.01 178.50 1s9t n ASP 58 N -5.29 0.68 -1.42 1.42 5.68 -1.26 -4.91 116.55 111.45 1s9t n ASP 58 Ca 0.11 -1.54 -0.18 0.00 -0.50 0.00 0.00 54.79 52.68 1s9t n ASP 58 Cb 0.41 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.93 1.75 3.57 6.12 0.00 -0.15 -4.96 105.19 112.46 1s9t n GLY 59 Ca 0.15 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.58 2.06 -0.09 1.61 1.02 -1.26 -4.97 119.74 114.52 1s9t s LYS 60 Ca 0.00 -1.34 -0.22 0.00 0.02 0.00 0.00 55.97 54.43 1s9t s LYS 60 Cb 0.00 -2.12 -0.19 0.00 -0.52 0.00 0.00 37.83 35.00 1s9t s LYS 60 CO 0.00 0.41 0.75 1.88 -0.92 0.00 0.00 175.35 177.47 1s9t h TYR 61 N 2.69 -0.06 0.00 3.18 -1.99 -1.86 -2.48 116.97 116.45 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 1.22 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.97 1s9t h TYR 61 CO 0.67 0.57 0.00 0.41 -0.00 0.00 0.00 178.16 179.81 1s9t n GLY 62 N 1.18 3.32 3.22 3.88 0.00 -0.38 -1.68 105.19 114.73 1s9t n GLY 62 Ca -0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 -0.18 4.61 0.00 -1.24 -4.41 121.76 120.20 1s9t s ALA 63 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1s9t s ALA 63 Cb 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1s9t s ALA 63 CO 0.00 -0.50 0.38 -1.14 0.00 0.00 0.00 175.76 174.50 1s9t s GLN 64 N -3.62 4.21 0.27 0.00 0.74 -1.26 -2.33 119.66 117.67 1s9t s GLN 64 Ca 0.03 0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.34 1s9t s GLN 64 Cb 0.03 -3.50 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 1s9t s GLN 64 CO -0.10 0.05 1.39 0.34 -0.55 0.00 0.00 175.29 176.42 1s9t s ASP 65 N 0.86 6.71 0.08 6.67 -1.08 0.32 -4.89 116.67 125.36 1s9t s ASP 65 Ca 0.19 2.64 -0.33 0.00 -0.52 0.00 0.00 52.55 54.54 1s9t s ASP 65 Cb -0.14 -2.63 -0.16 0.00 -1.46 0.00 0.00 42.92 38.53 1s9t s ASP 65 CO 0.07 -0.64 1.61 0.44 0.52 0.00 0.00 175.17 177.17 1s9t h ASP 66 N 4.62 -0.99 0.00 -0.34 3.32 -1.96 0.27 116.42 121.33 1s9t h ASP 66 Ca -0.47 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1s9t h ASP 66 Cb 1.22 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1s9t h ASP 66 CO 0.74 -0.56 0.00 0.52 -1.72 0.00 0.00 179.24 178.22 1s9t n VAL 67 N -5.50 0.00 1.99 -1.35 0.31 -1.26 -3.81 118.33 108.70 1s9t n VAL 67 Ca -0.12 0.76 0.12 0.00 -0.01 0.00 0.00 64.34 65.10 1s9t n VAL 67 Cb 0.39 -1.58 0.73 0.00 -0.91 0.00 0.00 33.84 32.47 1s9t n VAL 67 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1s9t n ASN 68 N -0.35 0.00 -2.18 4.52 0.23 -1.26 -4.91 115.26 111.31 1s9t n ASN 68 Ca 0.00 -1.22 -0.16 0.00 -0.53 0.00 0.00 54.58 52.67 1s9t n ASN 68 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 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 0.88 0.01 3.86 4.83 0.00 0.08 -4.95 105.19 109.90 1s9t n GLY 69 Ca 0.18 0.00 -0.36 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 -4.59 3.80 0.46 1.61 -1.52 -1.25 -4.63 119.66 113.53 1s9t s GLN 70 Ca 0.00 0.24 -0.08 0.00 -1.95 0.00 0.00 55.36 53.57 1s9t s GLN 70 Cb 0.00 -3.06 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 1s9t s GLN 70 CO 0.00 0.60 0.80 -1.58 -0.25 0.00 0.00 175.29 174.86 1s9t s TRP 71 N -1.30 3.53 0.00 0.91 0.52 -1.26 -0.52 118.94 120.82 1s9t s TRP 71 Ca 0.30 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.36 1s9t s TRP 71 Cb -0.15 -2.38 0.00 0.00 -1.15 0.00 0.00 33.47 29.79 1s9t s TRP 71 CO 0.16 -0.24 0.00 0.27 0.02 0.00 0.00 176.95 177.17 1s9t n ASN 72 N -1.91 0.72 0.00 2.95 0.23 -0.98 -4.65 115.26 111.62 1s9t n ASN 72 Ca 0.02 -0.92 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 1s9t n ASN 72 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 1.81 0.49 0.27 4.83 0.00 -1.26 -2.36 105.19 108.97 1s9t n GLY 73 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.15 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 0.40 -0.41 1.61 2.86 -0.83 -2.30 114.93 116.27 1s9t h MET 74 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1s9t h MET 74 Cb 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1s9t h MET 74 CO 0.00 0.39 0.27 0.28 1.06 0.00 0.00 176.91 178.91 1s9t h VAL 75 N 0.40 1.11 -0.34 -2.22 2.07 -1.59 -1.65 116.25 114.03 1s9t h VAL 75 Ca 0.09 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1s9t h VAL 75 Cb 0.19 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1s9t h VAL 75 CO -0.00 0.11 -0.25 -0.09 0.02 0.00 0.00 177.57 177.36 1s9t h ARG 76 N 0.55 0.68 -0.14 1.57 9.65 -1.11 -1.30 114.38 124.29 1s9t h ARG 76 Ca 0.15 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1s9t h ARG 76 Cb -0.05 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1s9t h ARG 76 CO -0.03 0.87 -0.10 0.93 2.80 0.00 0.00 179.97 184.43 1s9t h GLU 77 N 0.59 0.21 -0.00 0.20 5.08 -1.00 -0.51 114.58 119.15 1s9t h GLU 77 Ca 0.08 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1s9t h GLU 77 Cb 0.74 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.97 1s9t h GLU 77 CO 0.06 0.32 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.55 1s9t h LEU 78 N 0.20 0.68 -0.32 1.33 3.38 -0.98 0.50 115.31 120.10 1s9t h LEU 78 Ca 0.04 -0.75 0.03 0.00 0.09 0.00 0.00 57.88 57.29 1s9t h LEU 78 Cb 0.32 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1s9t h LEU 78 CO 0.02 1.34 0.13 0.40 0.09 0.00 0.00 178.44 180.42 1s9t h ILE 79 N 0.09 0.94 -0.00 1.22 2.04 -0.86 -1.68 117.51 119.27 1s9t h ILE 79 Ca -0.10 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1s9t h ILE 79 Cb 1.46 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1s9t h ILE 79 CO 0.15 0.05 0.00 0.47 0.00 0.00 0.00 178.15 178.82 1s9t n ASP 80 N -4.99 0.00 -3.21 1.72 8.00 -0.24 -4.89 116.55 112.94 1s9t n ASP 80 Ca 0.00 -1.44 -0.23 0.00 0.71 0.00 0.00 54.79 53.83 1s9t n ASP 80 Cb 0.10 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.25 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 -2.27 1.09 1.24 8.25 -0.63 -4.86 115.22 117.26 1s9t n HIS 81 Ca 0.13 0.68 0.13 0.00 -0.26 0.00 0.00 57.72 58.41 1s9t n HIS 81 Cb 0.06 -4.69 0.39 0.00 1.12 0.00 0.00 29.99 26.87 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 -4.36 0.22 -3.82 -0.41 5.02 0.17 -4.85 118.16 110.13 1s9t n LYS 82 Ca -0.08 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 1s9t n LYS 82 Cb 0.60 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.85 -0.43 -0.07 7.82 0.00 -1.15 -4.95 121.76 120.13 1s9t s ALA 83 Ca 0.16 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.00 1s9t s ALA 83 Cb 0.18 0.29 -0.24 0.00 0.00 0.00 0.00 23.12 23.36 1s9t s ALA 83 CO 0.61 -0.37 0.56 -0.25 0.00 0.00 0.00 175.76 176.31 1s9t n ASP 84 N 0.67 1.04 -3.91 0.00 8.00 0.13 -4.69 116.55 117.78 1s9t n ASP 84 Ca -0.19 0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 1s9t n ASP 84 Cb 0.59 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 1s9t n ASP 84 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s9t s LEU 85 N -6.21 1.70 -0.25 0.64 1.43 -1.04 -4.25 118.68 110.70 1s9t s LEU 85 Ca -0.08 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1s9t s LEU 85 Cb 0.08 0.72 0.06 0.00 0.03 0.00 0.00 46.19 47.08 1s9t s LEU 85 CO 0.81 -0.56 -0.06 0.00 0.23 0.00 0.00 176.35 176.77 1s9t s ALA 86 N -2.92 2.16 -0.38 4.21 0.00 0.40 -0.83 121.76 124.40 1s9t s ALA 86 Ca -0.02 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 1s9t s ALA 86 Cb 0.01 -1.50 0.10 0.00 0.00 0.00 0.00 23.12 21.73 1s9t s ALA 86 CO -0.06 -1.22 0.15 0.08 0.00 0.00 0.00 175.76 174.71 1s9t s VAL 87 N 1.30 3.00 0.22 0.00 1.01 -0.94 -1.04 120.40 123.95 1s9t s VAL 87 Ca -0.06 -2.08 -0.21 0.00 0.00 0.00 0.00 61.98 59.63 1s9t s VAL 87 Cb -0.19 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1s9t s VAL 87 CO -0.06 -0.62 0.97 0.00 0.00 0.00 0.00 175.10 175.39 1s9t s ALA 88 N 1.09 -1.42 -1.17 5.51 0.00 -1.26 -4.62 121.76 119.89 1s9t s ALA 88 Ca 0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1s9t s ALA 88 Cb -0.22 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1s9t s ALA 88 CO -0.05 -1.05 2.10 -0.35 0.00 0.00 0.00 175.76 176.42 1s9t n PRO 89 N -0.63 2.29 -3.46 0.00 -0.04 -1.26 -4.69 135.00 127.20 1s9t n PRO 89 Ca -0.05 -2.28 -0.41 0.00 -0.04 0.00 0.00 63.50 60.73 1s9t n PRO 89 Cb 0.60 -3.13 -0.10 0.00 -0.04 0.00 0.00 33.50 30.83 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 1.75 4.57 0.21 1.53 2.96 -1.26 -5.02 118.68 123.42 1s9t s LEU 90 Ca 0.51 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.71 1s9t s LEU 90 Cb 0.14 -2.23 -0.09 0.00 0.50 0.00 0.00 46.19 44.51 1s9t s LEU 90 CO -0.00 -0.32 1.37 0.00 -1.32 0.00 0.00 176.35 176.08 1s9t s ALA 91 N 1.85 3.58 -0.29 5.97 0.00 -1.26 -1.51 121.76 130.10 1s9t s ALA 91 Ca 0.08 1.20 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 1s9t s ALA 91 Cb -0.17 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 1s9t s ALA 91 CO 0.11 -0.63 0.81 0.42 0.00 0.00 0.00 175.76 176.48 1s9t s ILE 92 N 0.16 4.79 0.09 0.00 1.01 0.65 -4.86 121.20 123.03 1s9t s ILE 92 Ca 0.59 1.32 0.03 0.00 0.00 0.00 0.00 60.65 62.58 1s9t s ILE 92 Cb -0.39 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 1s9t s ILE 92 CO 0.39 -0.21 -0.08 0.42 0.00 0.00 0.00 174.94 175.46 1s9t s THR 93 N 2.96 0.76 0.14 2.92 -4.23 -1.26 -4.52 115.64 112.42 1s9t s THR 93 Ca 0.34 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 1s9t s THR 93 Cb -0.14 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.39 1s9t s THR 93 CO 0.11 -0.64 1.72 0.22 -0.54 0.00 0.00 174.62 175.49 1s9t h TYR 94 N 3.54 0.02 -0.41 3.99 3.20 -1.98 -0.38 116.97 124.93 1s9t h TYR 94 Ca -0.36 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.50 1s9t h TYR 94 Cb 1.18 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1s9t h TYR 94 CO 0.62 -0.03 0.12 -0.39 -1.64 0.00 0.00 178.16 176.84 1s9t h VAL 95 N 0.11 1.18 -0.11 1.81 -1.51 -2.01 -2.58 116.25 113.13 1s9t h VAL 95 Ca 0.14 -0.61 -0.21 0.00 -1.23 0.00 0.00 66.70 64.79 1s9t h VAL 95 Cb 0.17 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1s9t h VAL 95 CO -0.22 0.23 -0.77 0.03 -1.23 0.00 0.00 177.57 175.61 1s9t h ARG 96 N 0.59 0.60 0.00 5.19 3.08 -1.81 -3.04 114.38 119.00 1s9t h ARG 96 Ca 0.14 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1s9t h ARG 96 Cb 0.20 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1s9t h ARG 96 CO -0.01 1.12 0.00 0.93 -1.07 0.00 0.00 179.97 180.95 1s9t h GLU 97 N 0.41 0.00 0.00 0.04 5.08 -0.69 0.31 114.58 119.73 1s9t h GLU 97 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1s9t h GLU 97 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1s9t h GLU 97 CO 0.15 0.00 -0.26 0.87 -1.00 0.00 0.00 179.01 178.77 1s9t h LYS 98 N 0.00 0.00 0.00 2.33 1.57 -1.39 -3.37 116.57 115.71 1s9t h LYS 98 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1s9t h LYS 98 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1s9t h LYS 98 CO 0.00 0.26 -1.19 1.33 -0.57 0.00 0.00 179.45 179.28 1s9t n VAL 99 N -3.27 0.04 -4.13 0.50 0.24 -0.06 -5.07 118.33 106.58 1s9t n VAL 99 Ca 0.01 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 1s9t n VAL 99 Cb 0.53 0.21 -0.10 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.24 0.10 0.13 1.34 -4.36 -0.29 -4.25 121.20 111.63 1s9t s ILE 100 Ca -0.01 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 1s9t s ILE 100 Cb 0.02 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1s9t s ILE 100 CO 0.16 -0.46 0.16 -1.81 0.24 0.00 0.00 174.94 173.22 1s9t s ASP 101 N -3.04 5.76 0.09 4.36 1.01 -0.78 -4.06 116.67 120.00 1s9t s ASP 101 Ca 0.23 -0.01 0.08 0.00 0.71 0.00 0.00 52.55 53.56 1s9t s ASP 101 Cb 0.07 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.38 1s9t s ASP 101 CO 0.01 0.10 -0.20 -0.36 0.21 0.00 0.00 175.17 174.93 1s9t s PHE 102 N -1.64 1.76 0.91 4.23 0.40 -1.26 -0.90 117.98 121.46 1s9t s PHE 102 Ca 0.32 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 1s9t s PHE 102 Cb -0.11 -0.98 0.17 0.00 0.51 0.00 0.00 43.02 42.61 1s9t s PHE 102 CO 0.24 0.18 1.26 -1.54 0.70 0.00 0.00 175.22 176.06 1s9t s SER 103 N -1.76 3.52 0.80 1.36 1.04 -0.40 -4.96 113.70 113.30 1s9t s SER 103 Ca 0.06 0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.69 1s9t s SER 103 Cb -0.10 -0.49 0.08 0.00 0.10 0.00 0.00 66.02 65.61 1s9t s SER 103 CO 0.04 -2.47 1.13 -0.54 0.98 0.00 0.00 173.24 172.37 1s9t s LYS 104 N -5.75 1.91 0.54 4.02 -0.14 -1.26 -4.56 119.74 114.50 1s9t s LYS 104 Ca 0.71 1.40 -0.21 0.00 -1.36 0.00 0.00 55.97 56.51 1s9t s LYS 104 Cb -0.05 -1.84 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 1s9t s LYS 104 CO 0.51 -1.94 1.22 -1.25 -0.76 0.00 0.00 175.35 173.14 1s9t s PRO 105 N -4.58 3.28 0.00 -1.68 0.04 -1.26 -4.55 135.00 126.25 1s9t s PRO 105 Ca 0.66 1.89 0.14 0.00 0.04 0.00 0.00 61.00 63.72 1s9t s PRO 105 Cb -0.21 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.22 1s9t s PRO 105 CO 0.53 -0.97 0.84 1.97 0.04 0.00 0.00 177.00 179.41 1s9t n PHE 106 N -1.10 0.00 -3.61 0.56 1.16 0.44 -4.93 117.46 109.97 1s9t n PHE 106 Ca 0.11 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.55 1s9t n PHE 106 Cb 0.48 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 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 -1.50 0.79 0.04 3.97 0.00 -1.24 -5.00 119.30 116.37 1s9t s MET 107 Ca 0.13 0.79 0.06 0.00 0.00 0.00 0.00 55.69 56.67 1s9t s MET 107 Cb 0.11 0.39 -0.03 0.00 0.00 0.00 0.00 34.83 35.29 1s9t s MET 107 CO 0.28 -0.13 -0.12 0.95 0.00 0.00 0.00 175.02 176.00 1s9t s THR 108 N 0.08 3.21 0.03 10.11 -4.23 -1.26 -0.90 115.64 122.67 1s9t s THR 108 Ca -0.01 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1s9t s THR 108 Cb -0.04 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1s9t s THR 108 CO 0.01 0.30 0.05 0.00 -0.54 0.00 0.00 174.62 174.44 1s9t n LEU 109 N 1.35 0.00 -3.45 4.79 -0.00 -0.04 -4.86 117.00 114.79 1s9t n LEU 109 Ca -0.15 -0.17 -0.13 0.00 -0.00 0.00 0.00 56.01 55.55 1s9t n LEU 109 Cb 0.52 0.26 -0.03 0.00 -0.00 0.00 0.00 43.42 44.17 1s9t n LEU 109 CO 0.30 -0.06 0.42 -0.83 -0.00 0.00 0.00 177.39 177.22 1s9t s GLY 110 N -1.19 -0.60 0.30 1.47 0.00 -1.26 -0.85 107.32 105.18 1s9t s GLY 110 Ca 0.01 0.70 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 1s9t s GLY 110 CO 0.01 0.35 1.20 -0.42 0.00 0.00 0.00 173.10 174.24 1s9t s ILE 111 N -3.13 3.12 0.13 0.90 1.01 -1.25 -0.10 121.20 121.87 1s9t s ILE 111 Ca -0.02 1.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.75 1s9t s ILE 111 Cb -0.01 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1s9t s ILE 111 CO -0.08 0.27 0.19 -0.24 0.00 0.00 0.00 174.94 175.08 1s9t n SER 112 N 1.02 -0.53 -4.41 3.58 2.88 0.16 0.06 113.62 116.39 1s9t n SER 112 Ca -0.01 -1.71 -0.33 0.00 -1.33 0.00 0.00 58.87 55.49 1s9t n SER 112 Cb 0.43 0.98 -0.14 0.00 -0.75 0.00 0.00 64.21 64.73 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 -2.58 3.12 -0.15 2.46 1.01 -1.25 -1.69 121.20 122.13 1s9t s ILE 113 Ca 0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1s9t s ILE 113 Cb -0.00 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1s9t s ILE 113 CO 0.08 0.54 -0.02 -0.22 0.00 0.00 0.00 174.94 175.32 1s9t s LEU 114 N 0.06 3.38 0.33 2.97 2.96 0.13 0.15 118.68 128.67 1s9t s LEU 114 Ca -0.05 -0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.64 1s9t s LEU 114 Cb -0.14 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1s9t s LEU 114 CO 0.04 0.19 0.71 -0.47 -1.32 0.00 0.00 176.35 175.50 1s9t s TYR 115 N 0.24 0.12 0.61 5.38 5.04 -0.70 -0.59 117.35 127.45 1s9t s TYR 115 Ca -0.01 -0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 53.83 1s9t s TYR 115 Cb -0.14 0.66 -0.04 0.00 0.35 0.00 0.00 41.96 42.80 1s9t s TYR 115 CO 0.02 -1.37 1.03 1.03 -1.34 0.00 0.00 175.55 174.92 1s9t s ARG 116 N -3.07 3.45 0.44 4.97 0.52 -1.26 -1.27 118.95 122.73 1s9t s ARG 116 Ca 0.16 0.97 0.04 0.00 -0.52 0.00 0.00 55.73 56.37 1s9t s ARG 116 Cb -0.05 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.37 1s9t s ARG 116 CO 0.10 -0.69 0.63 -1.59 0.02 0.00 0.00 175.30 173.77 1s9t s LYS 117 N -4.59 2.88 0.00 3.54 -2.85 -1.06 -4.45 119.74 113.21 1s9t s LYS 117 Ca 0.59 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1s9t s LYS 117 Cb -0.13 -2.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 1s9t s LYS 117 CO 0.44 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.99 1s9t n GLY 118 N -1.99 0.74 3.91 0.59 0.00 -1.26 -5.06 105.19 102.13 1s9t n GLY 118 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.65 3.56 -2.15 2.61 -4.23 -1.26 -5.01 115.64 106.50 1s9t s THR 119 Ca 0.00 -1.22 0.24 0.00 -1.18 0.00 0.00 61.69 59.53 1s9t s THR 119 Cb 0.00 -3.22 0.61 0.00 1.34 0.00 0.00 72.50 71.23 1s9t s THR 119 CO 0.00 -0.13 1.80 -0.81 -0.54 0.00 0.00 174.62 174.94 1s9t n PRO 120 N -1.52 1.28 -2.49 3.99 -0.04 -1.26 -4.81 135.00 130.15 1s9t n PRO 120 Ca 0.00 -0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 62.62 1s9t n PRO 120 Cb 0.59 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.95 4.37 0.00 0.52 -1.09 -1.26 -4.86 121.20 116.92 1s9t s ILE 121 Ca 0.35 1.67 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1s9t s ILE 121 Cb 0.17 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1s9t s ILE 121 CO 0.28 -0.08 0.43 -0.67 -1.23 0.00 0.00 174.94 173.68 1s9t n ASP 122 N 5.90 0.69 -3.63 3.58 2.03 -1.26 -4.92 116.55 118.94 1s9t n ASP 122 Ca 0.12 -1.18 -0.03 0.00 0.52 0.00 0.00 54.79 54.22 1s9t n ASP 122 Cb 0.46 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.18 -0.12 0.35 1.67 1.04 -1.26 -3.40 113.70 111.79 1s9t s SER 123 Ca 0.00 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.01 1s9t s SER 123 Cb 0.00 0.49 0.64 0.00 0.10 0.00 0.00 66.02 67.24 1s9t s SER 123 CO 0.00 -0.92 1.86 0.00 0.98 0.00 0.00 173.24 175.16 1s9t h ALA 124 N 2.00 1.37 -0.56 5.32 0.00 -1.98 -2.21 119.26 123.20 1s9t h ALA 124 Ca -0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1s9t h ALA 124 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1s9t h ALA 124 CO 0.29 0.43 0.13 -0.44 0.00 0.00 0.00 179.25 179.66 1s9t h ASP 125 N 0.35 0.80 0.31 0.00 3.32 -1.96 -0.74 116.42 118.50 1s9t h ASP 125 Ca 0.07 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1s9t h ASP 125 Cb 0.43 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1s9t h ASP 125 CO 0.02 0.79 -0.26 0.44 -1.72 0.00 0.00 179.24 178.51 1s9t h ASP 126 N 0.83 0.00 0.16 6.45 3.32 -1.79 -2.07 116.42 123.32 1s9t h ASP 126 Ca 0.18 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.00 1s9t h ASP 126 Cb 0.30 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.88 1s9t h ASP 126 CO -0.00 0.26 -0.99 -0.07 -1.72 0.00 0.00 179.24 176.73 1s9t h LEU 127 N 0.00 0.60 -1.63 1.55 3.38 -1.27 -3.35 115.31 114.59 1s9t h LEU 127 Ca -0.00 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 1s9t h LEU 127 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1s9t h LEU 127 CO 0.03 1.47 -0.20 0.00 0.09 0.00 0.00 178.44 179.84 1s9t h ALA 128 N 0.13 1.59 -0.28 1.53 0.00 -0.96 -2.84 119.26 118.43 1s9t h ALA 128 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1s9t h ALA 128 Cb 1.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1s9t h ALA 128 CO 0.19 0.25 0.00 0.36 0.00 0.00 0.00 179.25 180.05 1s9t n LYS 129 N -4.19 2.22 -3.89 0.00 2.85 -0.80 -4.84 118.16 109.52 1s9t n LYS 129 Ca -0.02 -1.24 -0.10 0.00 -1.05 0.00 0.00 58.31 55.90 1s9t n LYS 129 Cb 0.27 -1.55 -0.09 0.00 -0.65 0.00 0.00 35.03 33.01 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 -1.67 0.62 0.00 -1.58 1.03 -1.07 -5.06 119.66 111.93 1s9t s GLN 130 Ca 0.22 -0.68 0.00 0.00 0.04 0.00 0.00 55.36 54.94 1s9t s GLN 130 Cb 0.14 0.25 0.00 0.00 0.03 0.00 0.00 33.01 33.43 1s9t s GLN 130 CO 0.10 -0.16 0.78 0.25 -2.54 0.00 0.00 175.29 173.72 1s9t n THR 131 N 0.79 0.60 -0.01 3.63 -2.24 -1.26 -4.75 114.28 111.04 1s9t n THR 131 Ca -0.19 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.77 1s9t n THR 131 Cb 0.58 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.10 -6.21 -0.78 3.64 -1.97 -3.43 116.57 107.73 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 0.39 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1s9t h LYS 132 CO 0.00 0.33 0.79 0.42 -2.27 0.00 0.00 179.45 178.72 1s9t s ILE 133 N -2.42 4.36 0.52 2.00 1.01 -1.26 -5.02 121.20 120.39 1s9t s ILE 133 Ca -0.10 1.66 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 1s9t s ILE 133 Cb -0.01 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1s9t s ILE 133 CO 0.35 -0.08 0.81 -1.61 0.00 0.00 0.00 174.94 174.41 1s9t s GLU 134 N 2.90 3.19 0.10 2.79 2.02 -1.07 -4.93 118.70 123.70 1s9t s GLU 134 Ca 0.53 -0.03 -0.20 0.00 0.02 0.00 0.00 54.97 55.29 1s9t s GLU 134 Cb -0.22 -2.37 0.05 0.00 0.10 0.00 0.00 34.13 31.69 1s9t s GLU 134 CO 0.16 -0.42 0.50 1.52 0.02 0.00 0.00 175.26 177.04 1s9t s TYR 135 N -2.80 -0.38 0.00 1.61 -0.85 -1.26 -1.06 117.35 112.62 1s9t s TYR 135 Ca 0.50 0.24 0.00 0.00 -0.52 0.00 0.00 57.07 57.30 1s9t s TYR 135 Cb -0.10 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.60 1s9t s TYR 135 CO 0.43 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 174.17 1s9t n GLY 136 N 0.03 2.02 3.56 5.49 0.00 -0.94 -4.73 105.19 110.61 1s9t n GLY 136 Ca -0.17 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.00 0.35 0.23 4.61 0.00 -1.22 -0.57 121.76 124.16 1s9t s ALA 137 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 1s9t s ALA 137 Cb 0.00 1.06 -0.09 0.00 0.00 0.00 0.00 23.12 24.10 1s9t s ALA 137 CO 0.00 -0.83 1.12 0.54 0.00 0.00 0.00 175.76 176.59 1s9t s VAL 138 N -3.12 3.60 0.70 0.00 0.11 -1.26 -2.10 120.40 118.33 1s9t s VAL 138 Ca 0.27 1.49 -0.15 0.00 -2.93 0.00 0.00 61.98 60.65 1s9t s VAL 138 Cb -0.01 -3.95 0.02 0.00 -1.53 0.00 0.00 36.38 30.91 1s9t s VAL 138 CO 0.17 0.30 1.16 -1.83 -3.33 0.00 0.00 175.10 171.57 1s9t s GLU 139 N -0.89 2.44 -1.57 1.54 -1.05 0.41 -3.57 118.70 116.02 1s9t s GLU 139 Ca 0.48 1.57 -0.15 0.00 -0.15 0.00 0.00 54.97 56.72 1s9t s GLU 139 Cb -0.31 -1.89 0.10 0.00 -0.44 0.00 0.00 34.13 31.59 1s9t s GLU 139 CO 0.38 -1.56 0.93 -0.25 0.95 0.00 0.00 175.26 175.71 1s9t n ASP 140 N -2.59 -4.37 -4.42 0.83 8.00 -1.26 -4.78 116.55 107.96 1s9t n ASP 140 Ca 0.12 -0.84 -0.27 0.00 0.71 0.00 0.00 54.79 54.51 1s9t n ASP 140 Cb 0.51 -3.61 -0.09 0.00 -0.02 0.00 0.00 41.12 37.92 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 -3.33 2.64 0.30 0.44 0.00 -1.23 -1.24 107.32 104.90 1s9t s GLY 141 Ca 0.67 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1s9t s GLY 141 CO 0.85 -1.97 1.82 0.00 0.00 0.00 0.00 173.10 173.80 1s9t h ALA 142 N 1.70 1.25 -0.06 3.20 0.00 -1.90 -2.07 119.26 121.38 1s9t h ALA 142 Ca -0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1s9t h ALA 142 Cb 1.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1s9t h ALA 142 CO 0.67 0.50 -0.00 1.15 0.00 0.00 0.00 179.25 181.56 1s9t h THR 143 N 0.56 1.26 -0.51 0.00 2.02 -1.94 0.66 112.91 114.97 1s9t h THR 143 Ca 0.11 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1s9t h THR 143 Cb 0.42 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1s9t h THR 143 CO 0.02 0.22 0.31 -0.03 0.37 0.00 0.00 175.52 176.41 1s9t h MET 144 N -0.19 0.60 -0.54 6.66 -1.53 -1.76 -1.70 114.93 116.47 1s9t h MET 144 Ca 0.02 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1s9t h MET 144 Cb 0.35 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 1s9t h MET 144 CO 0.00 0.39 0.27 1.15 0.14 0.00 0.00 176.91 178.87 1s9t h THR 145 N 0.61 1.17 -0.16 -0.77 2.02 -1.25 0.69 112.91 115.22 1s9t h THR 145 Ca 0.20 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1s9t h THR 145 Cb 0.01 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1s9t h THR 145 CO -0.09 0.20 0.05 0.15 0.37 0.00 0.00 175.52 176.20 1s9t h PHE 146 N 0.75 0.08 -0.39 3.16 3.57 0.03 -1.25 116.94 122.88 1s9t h PHE 146 Ca 0.19 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1s9t h PHE 146 Cb 0.06 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1s9t h PHE 146 CO 0.01 0.04 -0.19 0.74 -2.23 0.00 0.00 178.31 176.67 1s9t h PHE 147 N 0.12 0.96 -0.45 0.41 -1.00 -0.83 -0.82 116.94 115.33 1s9t h PHE 147 Ca 0.07 -0.24 0.04 0.00 2.81 0.00 0.00 57.97 60.65 1s9t h PHE 147 Cb 0.05 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.37 1s9t h PHE 147 CO -0.12 1.00 0.30 -0.22 -1.61 0.00 0.00 178.31 177.66 1s9t h LYS 148 N 0.64 0.45 -0.01 1.51 3.64 -0.67 -2.71 116.57 119.42 1s9t h LYS 148 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1s9t h LYS 148 Cb 0.75 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1s9t h LYS 148 CO 0.06 0.30 -0.52 1.63 -2.27 0.00 0.00 179.45 178.64 1s9t n LYS 149 N -4.48 1.18 -2.01 1.90 5.02 -0.49 -5.00 118.16 114.29 1s9t n LYS 149 Ca 0.05 -0.81 -0.39 0.00 -2.02 0.00 0.00 58.31 55.14 1s9t n LYS 149 Cb 0.17 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.43 6.11 0.00 4.39 0.15 -0.32 -4.91 113.70 116.68 1s9t s SER 150 Ca 0.16 2.67 0.10 0.00 0.70 0.00 0.00 55.95 59.57 1s9t s SER 150 Cb 0.17 -2.64 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1s9t s SER 150 CO 0.58 -0.99 0.93 0.29 1.20 0.00 0.00 173.24 175.25 1s9t n LYS 151 N -0.12 1.08 -2.68 5.44 5.02 -1.26 -4.48 118.16 121.15 1s9t n LYS 151 Ca 0.05 -1.35 -0.42 0.00 -2.02 0.00 0.00 58.31 54.57 1s9t n LYS 151 Cb 0.44 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.88 4.76 0.06 -0.18 1.01 -1.26 -4.89 121.20 119.81 1s9t s ILE 152 Ca 0.14 2.03 -0.12 0.00 0.00 0.00 0.00 60.65 62.70 1s9t s ILE 152 Cb 0.09 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1s9t s ILE 152 CO 0.13 0.00 0.91 -1.54 0.00 0.00 0.00 174.94 174.44 1s9t n SER 153 N 5.03 -0.40 -0.05 3.58 3.41 -1.26 0.25 113.62 124.19 1s9t n SER 153 Ca 0.09 1.00 -0.08 0.00 -0.26 0.00 0.00 58.87 59.62 1s9t n SER 153 Cb 0.49 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.61 -0.43 6.66 2.02 -1.99 -1.96 112.91 117.82 1s9t h THR 154 Ca 0.06 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 1s9t h THR 154 Cb 0.15 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1s9t h THR 154 CO -0.35 0.00 -0.16 1.88 0.37 0.00 0.00 175.52 177.26 1s9t h TYR 155 N -0.10 0.91 -0.94 3.16 0.99 -1.63 -1.66 116.97 117.70 1s9t h TYR 155 Ca 0.13 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1s9t h TYR 155 Cb 0.30 -0.23 -0.05 0.00 1.00 0.00 0.00 36.73 37.76 1s9t h TYR 155 CO -0.30 0.91 0.58 0.22 -0.00 0.00 0.00 178.16 179.57 1s9t h ASP 156 N 0.73 1.12 1.00 3.88 1.82 0.25 -0.48 116.42 124.73 1s9t h ASP 156 Ca 0.11 -0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.54 1s9t h ASP 156 Cb 0.66 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1s9t h ASP 156 CO 0.05 0.85 -0.71 0.07 -1.61 0.00 0.00 179.24 177.89 1s9t h LYS 157 N 1.29 0.00 -0.28 0.28 2.10 -1.19 -2.06 116.57 116.71 1s9t h LYS 157 Ca 0.34 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.90 1s9t h LYS 157 Cb -0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1s9t h LYS 157 CO -0.07 0.71 -0.22 0.52 -2.00 0.00 0.00 179.45 178.39 1s9t h MET 158 N 0.00 0.53 -0.26 0.07 2.86 -0.66 -1.15 114.93 116.31 1s9t h MET 158 Ca -0.01 -0.19 -0.18 0.00 -2.06 0.00 0.00 59.70 57.27 1s9t h MET 158 Cb 1.40 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.02 1s9t h MET 158 CO 0.09 0.71 -0.54 2.35 1.06 0.00 0.00 176.91 180.58 1s9t h TRP 159 N 0.47 0.98 -0.71 -0.22 2.91 -0.92 -0.57 115.95 117.88 1s9t h TRP 159 Ca 0.07 -0.34 0.06 0.00 1.13 0.00 0.00 58.89 59.81 1s9t h TRP 159 Cb 0.64 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 29.05 1s9t h TRP 159 CO 0.02 1.15 0.41 0.00 -1.03 0.00 0.00 178.44 178.99 1s9t h ALA 160 N 0.78 0.96 0.73 2.65 0.00 -0.98 0.41 119.26 123.81 1s9t h ALA 160 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1s9t h ALA 160 Cb 1.13 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1s9t h ALA 160 CO 0.12 0.10 -0.35 0.35 0.00 0.00 0.00 179.25 179.47 1s9t h PHE 161 N 0.75 -0.91 -0.17 0.00 3.57 -0.92 -1.74 116.94 117.53 1s9t h PHE 161 Ca 0.32 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1s9t h PHE 161 Cb 0.18 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1s9t h PHE 161 CO -0.07 -0.55 -0.05 0.52 -2.23 0.00 0.00 178.31 175.93 1s9t h MET 162 N -1.04 -0.01 -0.85 1.11 2.86 -0.69 -2.42 114.93 113.88 1s9t h MET 162 Ca -0.10 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1s9t h MET 162 Cb 0.76 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.36 1s9t h MET 162 CO 0.16 -0.01 0.50 1.03 1.06 0.00 0.00 176.91 179.66 1s9t h SER 163 N -0.01 0.74 0.61 1.22 0.87 -0.19 0.15 113.55 116.93 1s9t h SER 163 Ca 0.08 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1s9t h SER 163 Cb 0.14 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1s9t h SER 163 CO -0.18 0.43 0.00 -1.54 -0.53 0.00 0.00 176.83 175.01 1s9t n SER 164 N -4.70 0.08 -1.04 6.23 3.41 -0.66 -2.77 113.62 114.17 1s9t n SER 164 Ca 0.14 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.31 1s9t n SER 164 Cb 0.26 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.58 0.55 -0.38 4.33 1.74 -0.46 -4.96 116.66 115.90 1s9t n ARG 165 Ca 0.04 -2.32 -0.05 0.00 -0.77 0.00 0.00 57.85 54.75 1s9t n ARG 165 Cb 0.20 -0.62 -0.02 0.00 -1.02 0.00 0.00 32.46 31.00 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 -0.15 -0.30 -0.09 5.56 0.63 0.40 -0.77 116.66 121.93 1s9t n ARG 166 Ca 0.10 1.44 0.03 0.00 -0.92 0.00 0.00 57.85 58.50 1s9t n ARG 166 Cb 0.94 -2.12 0.36 0.00 0.45 0.00 0.00 32.46 32.08 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 0.70 0.13 -0.14 1.08 -1.87 -0.49 115.11 114.52 1s9t h GLN 167 Ca 0.25 -0.04 -0.31 0.00 -1.45 0.00 0.00 58.65 57.10 1s9t h GLN 167 Cb 0.49 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1s9t h GLN 167 CO -0.91 0.46 -1.54 0.77 -0.95 0.00 0.00 178.83 176.66 1s9t h SER 168 N 0.72 0.43 0.00 1.46 0.02 -1.46 -3.41 113.55 111.31 1s9t h SER 168 Ca 0.21 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1s9t h SER 168 Cb -0.03 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1s9t h SER 168 CO -0.05 1.48 -1.03 1.33 -1.14 0.00 0.00 176.83 177.42 1s9t n VAL 169 N -3.48 0.00 -3.37 2.27 0.24 0.05 -4.85 118.33 109.20 1s9t n VAL 169 Ca -0.17 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.34 61.46 1s9t n VAL 169 Cb 1.05 0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 34.01 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 -3.16 5.30 0.66 1.34 1.43 -0.20 -3.41 118.68 120.63 1s9t s LEU 170 Ca 0.01 -1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 1s9t s LEU 170 Cb 0.10 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1s9t s LEU 170 CO 0.56 -0.62 1.00 0.68 0.23 0.00 0.00 176.35 178.20 1s9t s VAL 171 N 1.85 3.29 -0.59 -1.59 -7.23 -0.89 -4.62 120.40 110.62 1s9t s VAL 171 Ca 0.07 0.12 0.25 0.00 -1.81 0.00 0.00 61.98 60.60 1s9t s VAL 171 Cb -0.21 -3.37 0.26 0.00 0.56 0.00 0.00 36.38 33.62 1s9t s VAL 171 CO 0.09 -0.42 1.62 0.11 -0.31 0.00 0.00 175.10 176.19 1s9t h LYS 172 N -0.45 0.00 -3.22 4.82 1.57 -1.93 0.12 116.57 117.48 1s9t h LYS 172 Ca -0.45 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 1s9t h LYS 172 Cb 1.27 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 1s9t h LYS 172 CO 0.62 0.00 -0.13 -1.54 -0.57 0.00 0.00 179.45 177.83 1s9t s SER 173 N -5.11 -0.22 0.40 0.86 1.04 -1.26 -4.79 113.70 104.61 1s9t s SER 173 Ca 0.08 -0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.45 1s9t s SER 173 Cb 0.10 0.42 0.82 0.00 0.10 0.00 0.00 66.02 67.46 1s9t s SER 173 CO 0.65 -0.71 1.94 0.78 0.98 0.00 0.00 173.24 176.88 1s9t h ASN 174 N 2.85 0.24 -0.29 7.02 2.35 -1.95 -1.98 115.58 123.82 1s9t h ASN 174 Ca -0.32 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 1s9t h ASN 174 Cb 1.22 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1s9t h ASN 174 CO 0.45 0.36 0.02 -0.08 -1.65 0.00 0.00 177.43 176.53 1s9t h GLU 175 N 0.25 0.61 -0.56 0.81 4.57 -1.96 -1.14 114.58 117.15 1s9t h GLU 175 Ca 0.05 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 1s9t h GLU 175 Cb 0.31 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1s9t h GLU 175 CO 0.02 0.62 0.07 1.49 -1.18 0.00 0.00 179.01 180.02 1s9t h GLU 176 N 0.58 0.95 -0.67 1.92 4.81 -1.78 -1.70 114.58 118.69 1s9t h GLU 176 Ca 0.12 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1s9t h GLU 176 Cb 0.34 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1s9t h GLU 176 CO 0.01 0.92 0.16 0.78 -0.73 0.00 0.00 179.01 180.15 1s9t h GLY 177 N 0.84 1.16 0.99 1.92 0.00 -1.06 -1.42 103.07 105.49 1s9t h GLY 177 Ca 0.17 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1s9t h GLY 177 CO 0.02 0.68 0.17 -2.22 0.00 0.00 0.00 176.54 175.18 1s9t h ILE 178 N 1.00 1.23 -0.73 2.60 2.04 -1.05 -1.94 117.51 120.67 1s9t h ILE 178 Ca 0.21 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1s9t h ILE 178 Cb 0.37 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1s9t h ILE 178 CO 0.00 0.29 0.28 1.56 0.00 0.00 0.00 178.15 180.29 1s9t h GLN 179 N 0.74 1.09 -0.27 2.37 1.08 -1.17 -1.89 115.11 117.08 1s9t h GLN 179 Ca 0.17 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1s9t h GLN 179 Cb 0.28 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1s9t h GLN 179 CO -0.01 0.89 0.06 -0.09 -0.95 0.00 0.00 178.83 178.74 1s9t h ARG 180 N 1.06 0.38 -0.02 1.46 9.65 -0.86 -1.23 114.38 124.82 1s9t h ARG 180 Ca 0.24 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1s9t h ARG 180 Cb 0.22 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1s9t h ARG 180 CO -0.02 0.36 -0.48 0.28 2.80 0.00 0.00 179.97 182.91 1s9t h VAL 181 N 0.38 1.34 -0.00 0.20 2.07 -0.58 -1.94 116.25 117.72 1s9t h VAL 181 Ca 0.09 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1s9t h VAL 181 Cb 0.16 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1s9t h VAL 181 CO -0.00 0.48 -0.29 0.18 0.02 0.00 0.00 177.57 177.95 1s9t n LEU 182 N -3.97 0.74 0.00 2.57 4.77 -0.54 -4.22 117.00 116.36 1s9t n LEU 182 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1s9t n LEU 182 Cb 0.50 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1s9t n LEU 182 CO 0.41 0.15 0.19 0.35 -1.33 0.00 0.00 177.39 177.16 1s9t n THR 183 N -0.98 0.02 -3.64 -5.08 -2.24 -0.75 -5.09 114.28 96.51 1s9t n THR 183 Ca 0.10 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1s9t n THR 183 Cb 0.33 1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.02 -0.37 -1.16 3.42 1.04 -0.74 -5.04 113.70 110.82 1s9t s SER 184 Ca 0.00 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.92 1s9t s SER 184 Cb 0.00 0.61 -0.08 0.00 0.10 0.00 0.00 66.02 66.65 1s9t s SER 184 CO 0.00 -1.07 1.92 -0.67 0.98 0.00 0.00 173.24 174.40 1s9t n ASP 185 N -0.41 3.21 -3.92 7.02 2.03 -1.26 -4.55 116.55 118.68 1s9t n ASP 185 Ca -0.10 -2.72 -0.17 0.00 0.52 0.00 0.00 54.79 52.33 1s9t n ASP 185 Cb 0.62 -1.68 -0.15 0.00 -0.72 0.00 0.00 41.12 39.18 1s9t n ASP 185 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1s9t s TYR 186 N 9.81 0.48 -0.09 -0.67 5.04 -1.26 -2.59 117.35 128.07 1s9t s TYR 186 Ca 0.66 -0.09 -0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1s9t s TYR 186 Cb 0.01 -0.39 -0.03 0.00 0.35 0.00 0.00 41.96 41.91 1s9t s TYR 186 CO 0.13 -0.07 -0.07 0.00 -1.34 0.00 0.00 175.55 174.20 1s9t s ALA 187 N 0.31 2.92 -0.15 3.97 0.00 -0.22 -4.40 121.76 124.19 1s9t s ALA 187 Ca -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 1s9t s ALA 187 Cb -0.07 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1s9t s ALA 187 CO -0.00 0.46 -0.14 0.12 0.00 0.00 0.00 175.76 176.20 1s9t s PHE 188 N -0.43 2.80 -0.34 0.00 5.36 0.24 -2.22 117.98 123.38 1s9t s PHE 188 Ca 0.06 -0.88 -0.21 0.00 -0.96 0.00 0.00 56.93 54.95 1s9t s PHE 188 Cb -0.12 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 1s9t s PHE 188 CO 0.02 -0.38 0.66 -0.51 -1.46 0.00 0.00 175.22 173.55 1s9t s LEU 189 N 0.67 4.21 0.32 6.12 2.01 0.27 0.19 118.68 132.47 1s9t s LEU 189 Ca -0.07 0.26 -0.11 0.00 0.01 0.00 0.00 54.13 54.22 1s9t s LEU 189 Cb -0.16 -2.83 0.02 0.00 0.01 0.00 0.00 46.19 43.23 1s9t s LEU 189 CO 0.02 -0.59 0.59 0.00 1.01 0.00 0.00 176.35 177.39 1s9t s MET 190 N 2.75 1.88 0.21 1.70 0.23 -0.68 -4.49 119.30 120.90 1s9t s MET 190 Ca 0.26 -1.43 -0.30 0.00 -1.03 0.00 0.00 55.69 53.19 1s9t s MET 190 Cb -0.14 0.52 -0.08 0.00 -1.53 0.00 0.00 34.83 33.60 1s9t s MET 190 CO 0.14 -0.82 1.10 -1.21 -2.03 0.00 0.00 175.02 172.20 1s9t s GLU 191 N -3.23 4.61 0.33 3.16 2.02 -1.26 -0.66 118.70 123.66 1s9t s GLU 191 Ca 0.22 1.75 0.07 0.00 0.02 0.00 0.00 54.97 57.03 1s9t s GLU 191 Cb -0.02 -3.25 0.77 0.00 0.10 0.00 0.00 34.13 31.73 1s9t s GLU 191 CO 0.13 0.12 1.81 0.66 0.02 0.00 0.00 175.26 178.00 1s9t h SER 192 N 4.67 0.74 -0.71 -0.19 4.64 -0.83 -1.24 113.55 120.63 1s9t h SER 192 Ca -0.45 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1s9t h SER 192 Cb 1.21 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1s9t h SER 192 CO 0.71 0.31 0.46 0.71 -0.87 0.00 0.00 176.83 178.14 1s9t h THR 193 N 0.74 1.13 -0.12 2.95 1.35 -1.89 -0.71 112.91 116.36 1s9t h THR 193 Ca 0.53 -0.31 -0.20 0.00 -0.55 0.00 0.00 66.41 65.88 1s9t h THR 193 Cb 0.85 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1s9t h THR 193 CO -0.30 0.17 -0.74 0.74 -0.25 0.00 0.00 175.52 175.13 1s9t h THR 194 N 0.91 1.33 -0.79 6.82 2.02 -1.74 -2.96 112.91 118.50 1s9t h THR 194 Ca 0.28 -2.04 0.01 0.00 0.77 0.00 0.00 66.41 65.42 1s9t h THR 194 Cb -0.03 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1s9t h THR 194 CO -0.09 0.63 0.52 0.40 0.37 0.00 0.00 175.52 177.35 1s9t h ILE 195 N 0.41 1.20 -0.55 3.11 2.04 -0.91 -0.48 117.51 122.33 1s9t h ILE 195 Ca -0.04 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1s9t h ILE 195 Cb 1.34 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1s9t h ILE 195 CO 0.14 0.19 0.23 -0.08 0.00 0.00 0.00 178.15 178.64 1s9t h GLU 196 N 1.06 0.43 -0.15 2.37 4.81 -1.05 0.03 114.58 122.09 1s9t h GLU 196 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1s9t h GLU 196 Cb -0.12 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1s9t h GLU 196 CO -0.07 0.28 0.06 0.35 -0.73 0.00 0.00 179.01 178.91 1s9t h PHE 197 N 0.44 0.23 -0.12 0.92 3.57 -1.23 -2.17 116.94 118.58 1s9t h PHE 197 Ca 0.26 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1s9t h PHE 197 Cb 0.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1s9t h PHE 197 CO -0.14 0.30 0.07 0.28 -2.23 0.00 0.00 178.31 176.59 1s9t h VAL 198 N 0.09 1.08 0.00 1.41 2.07 -0.60 -2.88 116.25 117.42 1s9t h VAL 198 Ca 0.05 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1s9t h VAL 198 Cb 0.17 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1s9t h VAL 198 CO -0.00 0.07 -0.32 0.71 0.02 0.00 0.00 177.57 178.05 1s9t h THR 199 N 0.11 1.04 0.00 2.57 1.35 -1.04 -0.89 112.91 116.04 1s9t h THR 199 Ca 0.04 -1.18 -0.03 0.00 -0.55 0.00 0.00 66.41 64.69 1s9t h THR 199 Cb 0.06 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1s9t h THR 199 CO -0.01 0.32 -0.14 -0.61 -0.25 0.00 0.00 175.52 174.83 1s9t h GLN 200 N 0.00 0.00 -0.01 4.72 5.75 -1.18 -3.02 115.11 121.38 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 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1s9t h GLN 200 CO 0.04 0.14 -0.04 0.54 -2.65 0.00 0.00 178.83 176.86 1s9t n ARG 201 N -3.51 0.64 -3.58 1.69 1.74 -0.81 -4.82 116.66 108.01 1s9t n ARG 201 Ca -0.01 -0.95 -0.29 0.00 -0.77 0.00 0.00 57.85 55.83 1s9t n ARG 201 Cb 0.29 -1.15 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.85 3.42 0.39 0.55 3.84 -0.40 -4.99 114.94 116.90 1s9t s ASN 202 Ca 0.10 -1.95 0.25 0.00 0.21 0.00 0.00 52.86 51.47 1s9t s ASN 202 Cb 0.07 -0.59 1.38 0.00 -0.55 0.00 0.00 41.25 41.57 1s9t s ASN 202 CO 0.13 -0.35 1.77 0.00 -2.79 0.00 0.00 177.10 175.86 1s9t n ASN 204 N -2.40 0.37 -4.79 0.00 3.02 -1.26 -4.88 115.26 105.32 1s9t n ASN 204 Ca -0.02 -0.10 -0.24 0.00 -0.03 0.00 0.00 54.58 54.19 1s9t n ASN 204 Cb 0.06 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.90 3.75 0.07 3.41 1.43 -0.14 -2.55 118.68 121.74 1s9t s LEU 205 Ca 0.15 -0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 1s9t s LEU 205 Cb 0.18 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 44.12 1s9t s LEU 205 CO 0.61 0.03 0.50 0.28 0.23 0.00 0.00 176.35 177.99 1s9t s THR 206 N -1.92 0.04 0.28 5.49 -1.32 -0.39 -4.79 115.64 113.02 1s9t s THR 206 Ca 0.31 -0.29 -0.24 0.00 -1.21 0.00 0.00 61.69 60.26 1s9t s THR 206 Cb -0.09 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.80 1s9t s THR 206 CO 0.23 -0.16 0.87 -1.58 -2.21 0.00 0.00 174.62 171.77 1s9t s GLN 207 N -2.78 4.49 -0.23 7.08 0.74 -1.26 -1.71 119.66 125.99 1s9t s GLN 207 Ca -0.03 1.18 -0.04 0.00 0.05 0.00 0.00 55.36 56.51 1s9t s GLN 207 Cb -0.00 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 1s9t s GLN 207 CO -0.04 0.34 -0.03 0.42 -0.55 0.00 0.00 175.29 175.42 1s9t s ILE 208 N -1.55 3.46 0.00 -2.34 -1.09 0.12 -4.93 121.20 114.87 1s9t s ILE 208 Ca 0.47 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1s9t s ILE 208 Cb -0.18 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 1s9t s ILE 208 CO 0.23 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1s9t n GLY 209 N 4.81 -1.38 0.00 6.18 0.00 -1.22 -3.79 105.19 109.78 1s9t n GLY 209 Ca -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 2.04 3.73 -0.02 0.00 -1.26 -4.92 105.19 104.77 1s9t n GLY 210 Ca 0.00 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 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 4.33 0.33 0.99 1.02 -1.26 -4.65 118.68 119.44 1s9t s LEU 211 Ca 0.00 1.03 0.18 0.00 0.02 0.00 0.00 54.13 55.36 1s9t s LEU 211 Cb 0.00 -2.88 0.27 0.00 0.02 0.00 0.00 46.19 43.61 1s9t s LEU 211 CO 0.00 -0.01 1.54 0.40 0.02 0.00 0.00 176.35 178.31 1s9t h ILE 212 N 4.57 0.69 -2.95 -0.59 2.04 -0.70 -3.48 117.51 117.10 1s9t h ILE 212 Ca -0.42 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 63.53 1s9t h ILE 212 Cb 1.19 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1s9t h ILE 212 CO 0.74 0.37 0.12 -0.90 0.00 0.00 0.00 178.15 178.48 1s9t n ASP 213 N -3.25 -1.51 -3.88 1.72 5.75 -1.26 -4.93 116.55 109.18 1s9t n ASP 213 Ca 0.02 -2.24 -0.19 0.00 -0.01 0.00 0.00 54.79 52.36 1s9t n ASP 213 Cb 0.65 2.58 -0.16 0.00 -1.03 0.00 0.00 41.12 43.15 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 -2.56 0.83 0.17 -1.12 0.15 -1.26 -3.93 113.70 105.98 1s9t s SER 214 Ca 0.14 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1s9t s SER 214 Cb -0.03 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1s9t s SER 214 CO 0.11 -0.06 0.32 2.29 1.20 0.00 0.00 173.24 177.10 1s9t n LYS 215 N 4.01 0.46 -4.04 5.44 2.85 -0.03 -4.99 118.16 121.86 1s9t n LYS 215 Ca -0.26 -1.09 -0.10 0.00 -1.05 0.00 0.00 58.31 55.81 1s9t n LYS 215 Cb 0.51 1.25 -0.08 0.00 -0.65 0.00 0.00 35.03 36.06 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 -1.95 0.73 -0.17 2.58 0.00 -1.26 -0.86 107.32 106.39 1s9t s GLY 216 Ca 0.09 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 1s9t s GLY 216 CO 0.07 -1.01 0.11 -0.19 0.00 0.00 0.00 173.10 172.08 1s9t s TYR 217 N -4.02 3.41 0.11 1.90 4.12 -0.08 -0.25 117.35 122.54 1s9t s TYR 217 Ca 0.22 0.32 0.00 0.00 0.02 0.00 0.00 57.07 57.64 1s9t s TYR 217 Cb 0.04 -2.06 -0.04 0.00 -1.52 0.00 0.00 41.96 38.38 1s9t s TYR 217 CO 0.03 0.40 -0.02 0.20 0.02 0.00 0.00 175.55 176.18 1s9t s GLY 218 N -0.11 0.83 0.04 0.71 0.00 -0.57 -0.42 107.32 107.81 1s9t s GLY 218 Ca 0.09 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 1s9t s GLY 218 CO 0.00 -1.41 1.00 0.14 0.00 0.00 0.00 173.10 172.83 1s9t s VAL 219 N -3.80 4.65 0.08 1.40 1.01 -1.26 -4.45 120.40 118.02 1s9t s VAL 219 Ca 0.16 1.99 -0.05 0.00 0.00 0.00 0.00 61.98 64.07 1s9t s VAL 219 Cb 0.07 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1s9t s VAL 219 CO -0.03 0.20 0.31 -0.83 0.00 0.00 0.00 175.10 174.75 1s9t s GLY 220 N 0.71 2.24 0.07 4.51 0.00 -0.21 -1.27 107.32 113.37 1s9t s GLY 220 Ca 0.51 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 1s9t s GLY 220 CO 0.29 -0.49 0.04 -0.51 0.00 0.00 0.00 173.10 172.43 1s9t s THR 221 N -1.49 0.18 0.65 0.90 -4.23 -0.08 -0.45 115.64 111.11 1s9t s THR 221 Ca 0.35 -1.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 1s9t s THR 221 Cb -0.13 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1s9t s THR 221 CO 0.22 -0.83 1.28 -2.84 -0.54 0.00 0.00 174.62 171.91 1s9t s PRO 222 N -3.92 2.58 0.33 3.99 0.02 -1.26 -1.87 135.00 134.87 1s9t s PRO 222 Ca 0.09 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.84 1s9t s PRO 222 Cb 0.07 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.62 1s9t s PRO 222 CO -0.08 -1.56 1.57 1.41 -0.33 0.00 0.00 177.00 178.00 1s9t s MET 223 N -3.40 4.10 0.00 5.54 1.75 -1.26 -1.69 119.30 124.34 1s9t s MET 223 Ca 0.82 2.60 0.00 0.00 -1.25 0.00 0.00 55.69 57.86 1s9t s MET 223 Cb -0.36 -2.99 0.00 0.00 2.84 0.00 0.00 34.83 34.32 1s9t s MET 223 CO 0.39 -0.62 0.00 0.41 -0.65 0.00 0.00 175.02 174.55 1s9t n GLY 224 N 1.48 1.09 3.74 2.11 0.00 -1.26 -4.95 105.19 107.40 1s9t n GLY 224 Ca 0.05 0.00 -0.42 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 -3.07 6.47 0.14 1.61 0.15 -0.68 -4.88 113.70 113.44 1s9t s SER 225 Ca 0.00 2.83 0.21 0.00 0.70 0.00 0.00 55.95 59.68 1s9t s SER 225 Cb 0.00 -2.62 0.85 0.00 -1.71 0.00 0.00 66.02 62.54 1s9t s SER 225 CO 0.00 -0.86 1.64 -0.81 1.20 0.00 0.00 173.24 174.40 1s9t n PRO 226 N 2.75 0.11 0.11 5.44 -0.04 -1.26 -2.92 135.00 139.19 1s9t n PRO 226 Ca 0.10 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1s9t n PRO 226 Cb 0.38 -1.70 0.02 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 -0.52 0.54 0.05 -1.96 -3.37 116.97 111.71 1s9t h TYR 227 Ca 0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1s9t h TYR 227 Cb 0.36 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.03 1s9t h TYR 227 CO 0.00 0.73 0.10 -0.09 -1.05 0.00 0.00 178.16 177.85 1s9t h ARG 228 N 0.00 0.23 -0.10 4.88 1.12 -1.91 0.12 114.38 118.72 1s9t h ARG 228 Ca -0.01 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.72 1s9t h ARG 228 Cb 1.46 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.35 1s9t h ARG 228 CO 0.09 0.15 -0.52 -0.44 -3.11 0.00 0.00 179.97 176.14 1s9t h ASP 229 N 0.24 0.30 -0.35 -3.80 3.32 -1.80 -1.75 116.42 112.58 1s9t h ASP 229 Ca 0.26 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1s9t h ASP 229 Cb 0.36 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1s9t h ASP 229 CO -0.34 0.77 -0.05 0.11 -1.72 0.00 0.00 179.24 178.02 1s9t h LYS 230 N 0.22 0.65 -0.37 3.56 1.57 -1.53 -2.11 116.57 118.55 1s9t h LYS 230 Ca 0.01 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1s9t h LYS 230 Cb 1.00 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1s9t h LYS 230 CO 0.08 0.79 -0.06 0.82 -0.57 0.00 0.00 179.45 180.51 1s9t h ILE 231 N 0.45 1.23 -0.65 1.86 2.04 -0.65 -1.60 117.51 120.19 1s9t h ILE 231 Ca 0.09 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1s9t h ILE 231 Cb 0.53 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1s9t h ILE 231 CO 0.03 0.33 0.31 0.74 0.00 0.00 0.00 178.15 179.56 1s9t h THR 232 N 0.57 1.22 -0.64 -0.27 2.02 -1.12 0.15 112.91 114.84 1s9t h THR 232 Ca 0.11 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1s9t h THR 232 Cb 0.46 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1s9t h THR 232 CO 0.02 0.26 0.30 0.40 0.37 0.00 0.00 175.52 176.87 1s9t h ILE 233 N 0.89 1.22 -0.45 3.11 2.04 -0.91 -0.15 117.51 123.27 1s9t h ILE 233 Ca 0.22 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1s9t h ILE 233 Cb 0.12 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1s9t h ILE 233 CO -0.03 0.26 0.06 0.00 0.00 0.00 0.00 178.15 178.45 1s9t h ALA 234 N 1.13 0.60 -0.39 1.87 0.00 -0.82 -1.79 119.26 119.86 1s9t h ALA 234 Ca 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1s9t h ALA 234 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1s9t h ALA 234 CO -0.03 0.33 0.10 0.82 0.00 0.00 0.00 179.25 180.47 1s9t h ILE 235 N 0.61 1.23 -0.33 0.00 2.04 -0.44 -1.25 117.51 119.36 1s9t h ILE 235 Ca 0.13 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1s9t h ILE 235 Cb 0.40 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1s9t h ILE 235 CO 0.01 0.27 0.04 -0.07 0.00 0.00 0.00 178.15 178.40 1s9t h LEU 236 N 0.49 0.45 -0.31 1.44 3.38 -0.97 0.14 115.31 119.93 1s9t h LEU 236 Ca 0.12 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1s9t h LEU 236 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1s9t h LEU 236 CO 0.00 0.49 -0.25 -0.61 0.09 0.00 0.00 178.44 178.16 1s9t h GLN 237 N 0.47 0.71 -0.34 1.13 4.15 -1.07 -0.75 115.11 119.41 1s9t h GLN 237 Ca 0.11 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 59.12 1s9t h GLN 237 Cb 0.25 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1s9t h GLN 237 CO 0.00 0.96 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.74 1s9t h LEU 238 N 0.46 0.52 0.47 -2.39 3.38 -0.62 -1.88 115.31 115.25 1s9t h LEU 238 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1s9t h LEU 238 Cb 0.81 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1s9t h LEU 238 CO 0.06 0.63 -0.23 -0.61 0.09 0.00 0.00 178.44 178.38 1s9t h GLN 239 N 0.51 -0.61 -0.60 1.13 5.75 -0.52 -0.71 115.11 120.06 1s9t h GLN 239 Ca 0.10 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.73 1s9t h GLN 239 Cb 0.41 0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.03 1s9t h GLN 239 CO 0.02 -0.32 0.24 0.93 -2.65 0.00 0.00 178.83 177.05 1s9t h GLU 240 N -0.85 0.42 0.00 1.69 5.08 -0.98 -1.17 114.58 118.76 1s9t h GLU 240 Ca -0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1s9t h GLU 240 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1s9t h GLU 240 CO 0.11 0.27 0.00 0.39 -1.00 0.00 0.00 179.01 178.78 1s9t n GLU 241 N -4.98 0.18 -0.99 2.33 1.02 -0.72 -4.86 120.64 112.62 1s9t n GLU 241 Ca 0.08 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1s9t n GLU 241 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.05 0.72 0.31 0.62 0.00 -0.44 -4.93 105.19 101.52 1s9t n GLY 242 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 1.92 1.08 -0.63 1.61 1.63 -1.34 -1.43 116.57 119.41 1s9t h LYS 243 Ca 0.00 -0.31 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 1s9t h LYS 243 Cb 0.00 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1s9t h LYS 243 CO 0.00 1.02 0.18 -0.07 -3.45 0.00 0.00 179.45 177.13 1s9t h LEU 244 N 1.01 0.91 -0.56 5.20 3.38 -1.77 0.11 115.31 123.57 1s9t h LEU 244 Ca 0.19 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1s9t h LEU 244 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1s9t h LEU 244 CO 0.02 0.86 0.04 -0.74 0.09 0.00 0.00 178.44 178.71 1s9t h HIS 245 N 0.94 1.03 -0.73 1.13 2.76 -1.78 -0.84 115.15 117.65 1s9t h HIS 245 Ca 0.21 -0.16 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1s9t h HIS 245 Cb 0.29 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 1s9t h HIS 245 CO 0.02 0.92 0.35 1.98 -1.30 0.00 0.00 177.93 179.91 1s9t h MET 246 N 0.85 1.06 -0.57 5.26 1.85 -0.71 -1.53 114.93 121.13 1s9t h MET 246 Ca 0.16 -0.16 -0.07 0.00 -0.61 0.00 0.00 59.70 59.03 1s9t h MET 246 Cb 0.48 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 1s9t h MET 246 CO 0.02 0.83 0.10 0.52 -0.40 0.00 0.00 176.91 177.98 1s9t h MET 247 N 1.03 0.94 -0.25 0.39 2.07 -0.51 -0.92 114.93 117.67 1s9t h MET 247 Ca 0.25 -0.25 -0.01 0.00 -2.07 0.00 0.00 59.70 57.63 1s9t h MET 247 Cb 0.12 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 1s9t h MET 247 CO -0.03 0.89 0.13 -0.22 1.07 0.00 0.00 176.91 178.75 1s9t h LYS 248 N 0.83 0.36 -0.91 1.72 1.63 -0.87 -2.14 116.57 117.19 1s9t h LYS 248 Ca 0.17 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1s9t h LYS 248 Cb 0.41 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1s9t h LYS 248 CO 0.01 0.35 0.55 0.93 -3.45 0.00 0.00 179.45 177.84 1s9t h GLU 249 N 0.28 1.23 -0.35 1.90 4.39 -1.12 0.07 114.58 120.98 1s9t h GLU 249 Ca 0.09 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1s9t h GLU 249 Cb 0.11 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1s9t h GLU 249 CO -0.01 0.86 0.22 -0.22 -1.16 0.00 0.00 179.01 178.71 1s9t h LYS 250 N 1.25 0.47 0.00 2.33 3.64 -0.92 0.53 116.57 123.87 1s9t h LYS 250 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1s9t h LYS 250 Cb -0.05 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1s9t h LYS 250 CO -0.06 0.33 -0.63 -1.49 -2.27 0.00 0.00 179.45 175.33 1s9t h TRP 251 N 0.47 0.00 0.00 1.91 4.06 -1.16 -3.32 115.95 117.90 1s9t h TRP 251 Ca 0.13 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.01 1s9t h TRP 251 Cb -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 1s9t h TRP 251 CO -0.05 0.00 -1.93 0.91 -3.56 0.00 0.00 178.44 173.81 1s9t n TRP 252 N -2.39 0.00 -0.29 0.49 8.01 -0.01 -4.82 117.44 118.43 1s9t n TRP 252 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1s9t n TRP 252 Cb 0.48 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 29.26 1s9t n TRP 252 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55