#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcg s ILE 4 N 0.00 4.88 -0.18 0.00 -5.25 -1.26 -4.91 121.20 114.48 1xcg s ILE 4 Ca 0.00 1.73 -0.06 0.00 -0.99 0.00 0.00 60.65 61.32 1xcg s ILE 4 Cb 0.00 -4.18 -0.04 0.00 2.95 0.00 0.00 42.46 41.20 1xcg s ILE 4 CO 0.00 0.06 0.04 -0.13 -1.79 0.00 0.00 174.94 173.11 1xcg s ARG 5 N 1.90 3.89 0.03 0.37 0.52 -1.26 0.02 118.95 124.42 1xcg s ARG 5 Ca 0.41 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 1xcg s ARG 5 Cb -0.17 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1xcg s ARG 5 CO 0.15 0.26 -0.09 0.15 0.02 0.00 0.00 175.30 175.79 1xcg s LYS 6 N 0.38 0.66 -0.15 3.54 -0.14 0.17 -4.97 119.74 119.22 1xcg s LYS 6 Ca 0.01 -0.58 -0.03 0.00 -1.36 0.00 0.00 55.97 54.02 1xcg s LYS 6 Cb -0.13 -0.58 -0.02 0.00 -1.68 0.00 0.00 37.83 35.42 1xcg s LYS 6 CO 0.01 0.14 -0.05 0.21 -0.76 0.00 0.00 175.35 174.90 1xcg s LYS 7 N -0.94 3.61 -0.14 1.68 2.20 -1.26 -0.96 119.74 123.94 1xcg s LYS 7 Ca -0.02 -0.55 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1xcg s LYS 7 Cb -0.07 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1xcg s LYS 7 CO 0.00 0.22 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.92 1xcg s LEU 8 N 0.41 2.73 -0.14 5.43 0.20 -0.27 -0.05 118.68 126.98 1xcg s LEU 8 Ca -0.05 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.45 1xcg s LEU 8 Cb -0.15 -1.62 0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1xcg s LEU 8 CO 0.03 0.15 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.35 1xcg s VAL 9 N 0.46 1.95 -0.02 1.68 1.01 -1.02 -1.22 120.40 123.25 1xcg s VAL 9 Ca -0.09 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 1xcg s VAL 9 Cb -0.16 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1xcg s VAL 9 CO 0.04 0.53 0.64 -0.51 0.00 0.00 0.00 175.10 175.80 1xcg s ILE 10 N 0.98 4.93 0.18 2.22 2.07 -1.00 -2.17 121.20 128.41 1xcg s ILE 10 Ca -0.04 1.34 0.05 0.00 -1.41 0.00 0.00 60.65 60.59 1xcg s ILE 10 Cb -0.15 -3.98 -0.05 0.00 0.13 0.00 0.00 42.46 38.42 1xcg s ILE 10 CO -0.05 0.37 -0.08 0.68 -1.91 0.00 0.00 174.94 173.95 1xcg s VAL 11 N 0.11 1.21 0.00 4.00 -7.23 0.11 -3.89 120.40 114.71 1xcg s VAL 11 Ca 0.33 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1xcg s VAL 11 Cb -0.18 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1xcg s VAL 11 CO 0.18 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1xcg n GLY 12 N -0.29 2.34 3.63 2.32 0.00 -1.26 -1.15 105.19 110.79 1xcg n GLY 12 Ca -0.08 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1xcg n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xcg n ASP 13 N 0.00 1.17 -4.71 1.61 8.00 -1.26 -4.97 116.55 116.39 1xcg n ASP 13 Ca 0.00 0.88 -0.29 0.00 0.71 0.00 0.00 54.79 56.09 1xcg n ASP 13 Cb 0.00 -1.41 0.15 0.00 -0.02 0.00 0.00 41.12 39.84 1xcg n ASP 13 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xcg s GLY 14 N -1.08 1.59 0.00 0.44 0.00 -1.26 -3.47 107.32 103.53 1xcg s GLY 14 Ca 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1xcg s GLY 14 CO 0.50 0.27 0.00 0.00 0.00 0.00 0.00 173.10 173.87 1xcg n ALA 15 N -3.98 0.00 -0.93 3.20 0.00 -1.26 -4.74 120.51 112.81 1xcg n ALA 15 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xcg n ALA 15 Cb 0.57 -1.11 0.34 0.00 0.00 0.00 0.00 19.45 19.25 1xcg n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcg n GLY 17 N 0.20 0.49 0.40 0.00 0.00 -1.26 -4.78 105.19 100.25 1xcg n GLY 17 Ca 0.35 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1xcg n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xcg h LYS 18 N 0.39 -0.05 -0.34 1.61 1.57 -1.93 -1.28 116.57 116.54 1xcg h LYS 18 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1xcg h LYS 18 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1xcg h LYS 18 CO 0.00 -0.03 0.14 1.15 -0.57 0.00 0.00 179.45 180.13 1xcg h THR 19 N -0.05 0.93 -0.56 -0.16 2.02 -1.93 -1.92 112.91 111.23 1xcg h THR 19 Ca 0.23 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1xcg h THR 19 Cb 0.51 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1xcg h THR 19 CO -0.90 0.05 0.31 0.00 0.37 0.00 0.00 175.52 175.35 1xcg h LEU 21 N 0.76 0.19 -1.00 0.00 6.46 -0.74 -0.71 115.31 120.26 1xcg h LEU 21 Ca 0.20 0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.96 1xcg h LEU 21 Cb 0.04 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1xcg h LEU 21 CO -0.03 0.08 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.43 1xcg h LEU 22 N 0.38 0.25 0.09 2.25 3.38 -0.57 -3.11 115.31 117.98 1xcg h LEU 22 Ca 0.36 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xcg h LEU 22 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xcg h LEU 22 CO -0.39 0.61 -0.04 0.40 0.09 0.00 0.00 178.44 179.11 1xcg h ILE 23 N 0.21 1.10 0.00 1.22 1.08 -0.39 -2.74 117.51 117.98 1xcg h ILE 23 Ca 0.02 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1xcg h ILE 23 Cb 0.76 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1xcg h ILE 23 CO 0.06 0.30 0.00 1.33 -0.69 0.00 0.00 178.15 179.15 1xcg n VAL 24 N -4.85 0.77 -0.05 1.67 0.24 -0.35 -1.64 118.33 114.12 1xcg n VAL 24 Ca -0.08 0.19 -0.22 0.00 -2.04 0.00 0.00 64.34 62.19 1xcg n VAL 24 Cb 0.29 -0.99 -0.13 0.00 -1.47 0.00 0.00 33.84 31.54 1xcg n VAL 24 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1xcg n ASN 25 N -1.32 2.01 0.21 -1.34 5.15 -1.18 -2.81 115.26 115.98 1xcg n ASN 25 Ca 0.05 0.29 0.10 0.00 -0.60 0.00 0.00 54.58 54.42 1xcg n ASN 25 Cb 0.10 -0.89 0.36 0.00 -0.53 0.00 0.00 39.78 38.83 1xcg n ASN 25 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1xcg h SER 26 N -0.40 0.00 0.38 1.20 0.02 -1.00 -2.59 113.55 111.17 1xcg h SER 26 Ca -0.41 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.46 1xcg h SER 26 Cb 1.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1xcg h SER 26 CO -0.06 0.21 -1.69 0.29 -1.14 0.00 0.00 176.83 174.44 1xcg n LYS 27 N -3.27 0.64 -2.84 3.45 4.76 -0.70 -4.99 118.16 115.22 1xcg n LYS 27 Ca 0.01 -0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1xcg n LYS 27 Cb 0.49 -1.65 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 1xcg n LYS 27 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xcg n ASP 28 N -2.54 -4.99 -3.14 4.39 9.92 -0.98 -4.95 116.55 114.26 1xcg n ASP 28 Ca -0.08 -0.14 0.05 0.00 -0.53 0.00 0.00 54.79 54.09 1xcg n ASP 28 Cb 0.69 -4.12 0.00 0.00 -0.64 0.00 0.00 41.12 37.05 1xcg n ASP 28 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1xcg s GLN 29 N -5.48 0.28 -0.01 -1.24 2.00 -1.22 -5.02 119.66 108.97 1xcg s GLN 29 Ca 0.19 0.26 -0.19 0.00 -2.00 0.00 0.00 55.36 53.63 1xcg s GLN 29 Cb -0.09 0.12 -0.09 0.00 0.80 0.00 0.00 33.01 33.75 1xcg s GLN 29 CO 0.24 -0.52 0.51 0.34 -0.50 0.00 0.00 175.29 175.35 1xcg n PHE 30 N 5.17 0.31 -2.46 1.67 7.35 -1.26 -4.87 117.46 123.37 1xcg n PHE 30 Ca 0.08 0.50 -0.43 0.00 -0.76 0.00 0.00 57.45 56.84 1xcg n PHE 30 Cb 0.57 -0.98 -0.02 0.00 0.35 0.00 0.00 39.48 39.40 1xcg n PHE 30 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1xcg s PRO 31 N 0.04 3.86 -0.11 -7.13 0.04 -1.26 -4.93 135.00 125.50 1xcg s PRO 31 Ca 0.43 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 1xcg s PRO 31 Cb -0.60 -3.89 -0.28 0.00 0.04 0.00 0.00 34.50 29.78 1xcg s PRO 31 CO 0.27 -1.20 0.81 1.05 0.04 0.00 0.00 177.00 177.98 1xcg h GLU 32 N 9.34 0.11 0.25 4.56 4.11 -1.99 -3.41 114.58 127.55 1xcg h GLU 32 Ca -0.25 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1xcg h GLU 32 Cb 1.09 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1xcg h GLU 32 CO 1.05 1.09 -0.12 0.28 0.07 0.00 0.00 179.01 181.38 1xcg h VAL 33 N -0.77 0.79 -3.30 -1.06 2.07 -2.03 -3.44 116.25 108.51 1xcg h VAL 33 Ca -0.05 -0.71 -0.30 0.00 0.82 0.00 0.00 66.70 66.46 1xcg h VAL 33 Cb 1.23 1.17 -0.35 0.00 -1.52 0.00 0.00 31.29 31.82 1xcg h VAL 33 CO 0.05 0.14 -0.67 -0.47 0.02 0.00 0.00 177.57 176.65 1xcg s TYR 34 N -4.47 -0.07 -0.37 1.57 5.04 -1.26 -5.13 117.35 112.66 1xcg s TYR 34 Ca -0.14 0.37 -0.14 0.00 -2.44 0.00 0.00 57.07 54.72 1xcg s TYR 34 Cb 0.02 -0.25 -0.00 0.00 0.35 0.00 0.00 41.96 42.08 1xcg s TYR 34 CO 0.55 -0.18 0.29 0.54 -1.34 0.00 0.00 175.55 175.41 1xcg s VAL 35 N 1.63 5.25 0.56 3.14 0.11 -1.26 -4.87 120.40 124.95 1xcg s VAL 35 Ca -0.03 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.51 1xcg s VAL 35 Cb -0.12 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1xcg s VAL 35 CO -0.05 -0.14 1.19 -2.84 -3.33 0.00 0.00 175.10 169.94 1xcg s PRO 36 N 1.78 3.20 0.11 1.54 0.02 -1.26 -4.97 135.00 135.43 1xcg s PRO 36 Ca 0.07 1.80 0.08 0.00 0.02 0.00 0.00 61.00 62.97 1xcg s PRO 36 Cb -0.18 -2.05 -0.20 0.00 0.02 0.00 0.00 34.50 32.09 1xcg s PRO 36 CO 0.11 -1.01 1.22 1.15 -0.33 0.00 0.00 177.00 178.14 1xcg h THR 37 N 1.16 1.59 -3.39 0.99 2.02 -2.00 -3.45 112.91 109.84 1xcg h THR 37 Ca -0.50 -3.30 -0.63 0.00 0.77 0.00 0.00 66.41 62.75 1xcg h THR 37 Cb 1.28 2.79 -0.18 0.00 -1.74 0.00 0.00 68.15 70.30 1xcg h THR 37 CO 0.56 0.91 -0.59 -0.69 0.37 0.00 0.00 175.52 176.08 1xcg s VAL 38 N -2.71 4.60 -0.27 3.16 1.01 -1.26 -4.98 120.40 119.95 1xcg s VAL 38 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1xcg s VAL 38 Cb 0.10 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1xcg s VAL 38 CO 0.82 0.43 0.01 0.12 0.00 0.00 0.00 175.10 176.47 1xcg s PHE 39 N 0.69 2.36 0.29 5.22 5.36 -1.26 -5.10 117.98 125.54 1xcg s PHE 39 Ca 0.03 -1.89 -0.28 0.00 -0.96 0.00 0.00 56.93 53.82 1xcg s PHE 39 Cb -0.13 -1.80 -0.09 0.00 -0.34 0.00 0.00 43.02 40.66 1xcg s PHE 39 CO 0.02 -0.82 1.03 -1.21 -1.46 0.00 0.00 175.22 172.78 1xcg s GLU 40 N 1.40 4.63 -0.07 10.12 2.02 -1.26 -4.55 118.70 130.99 1xcg s GLU 40 Ca 0.01 1.62 -0.21 0.00 0.02 0.00 0.00 54.97 56.41 1xcg s GLU 40 Cb -0.18 -3.08 -0.10 0.00 0.10 0.00 0.00 34.13 30.87 1xcg s GLU 40 CO -0.11 0.26 0.60 0.09 0.02 0.00 0.00 175.26 176.12 1xcg n ASN 41 N 1.02 0.15 -3.71 -0.19 5.03 -1.26 -4.94 115.26 111.37 1xcg n ASN 41 Ca -0.00 0.58 -0.12 0.00 0.87 0.00 0.00 54.58 55.91 1xcg n ASN 41 Cb 0.47 -0.45 -0.10 0.00 -1.02 0.00 0.00 39.78 38.68 1xcg n ASN 41 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1xcg s TYR 42 N 0.39 -0.55 -0.43 3.10 5.04 -1.13 -4.99 117.35 118.78 1xcg s TYR 42 Ca 0.47 1.27 -0.19 0.00 -2.44 0.00 0.00 57.07 56.18 1xcg s TYR 42 Cb -0.66 0.22 0.02 0.00 0.35 0.00 0.00 41.96 41.90 1xcg s TYR 42 CO 0.31 -0.29 0.54 0.08 -1.34 0.00 0.00 175.55 174.86 1xcg s VAL 43 N 0.72 4.96 -0.08 3.14 1.01 -1.26 0.30 120.40 129.19 1xcg s VAL 43 Ca -0.04 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1xcg s VAL 43 Cb -0.05 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1xcg s VAL 43 CO -0.05 -0.52 0.49 0.00 0.00 0.00 0.00 175.10 175.02 1xcg s ALA 44 N 2.46 3.51 -0.45 5.51 0.00 0.17 -4.87 121.76 128.09 1xcg s ALA 44 Ca 0.17 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 1xcg s ALA 44 Cb -0.16 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1xcg s ALA 44 CO 0.16 0.09 1.27 -0.51 0.00 0.00 0.00 175.76 176.77 1xcg s ASP 45 N 0.27 6.48 0.11 0.00 1.01 -1.26 -0.82 116.67 122.46 1xcg s ASP 45 Ca 0.26 0.62 0.07 0.00 0.71 0.00 0.00 52.55 54.22 1xcg s ASP 45 Cb -0.16 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1xcg s ASP 45 CO 0.12 -1.35 -0.12 -0.63 0.21 0.00 0.00 175.17 173.40 1xcg s ILE 46 N 4.94 3.25 -0.17 0.77 -1.09 -0.49 -5.00 121.20 123.42 1xcg s ILE 46 Ca 0.54 -1.32 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1xcg s ILE 46 Cb -0.10 -2.51 0.05 0.00 -1.58 0.00 0.00 42.46 38.31 1xcg s ILE 46 CO 0.32 0.11 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.42 1xcg s GLU 47 N -2.18 1.18 -0.02 2.79 2.12 -1.26 -0.87 118.70 120.45 1xcg s GLU 47 Ca 0.21 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.11 1xcg s GLU 47 Cb -0.11 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.29 1xcg s GLU 47 CO 0.13 -0.48 -0.17 0.14 -0.54 0.00 0.00 175.26 174.33 1xcg s VAL 48 N 1.70 1.37 -1.33 3.70 -7.23 -1.10 -4.73 120.40 112.79 1xcg s VAL 48 Ca 0.00 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 1xcg s VAL 48 Cb -0.16 -1.15 0.12 0.00 0.56 0.00 0.00 36.38 35.75 1xcg s VAL 48 CO -0.07 0.39 0.50 0.47 -0.31 0.00 0.00 175.10 176.08 1xcg n ASP 49 N 2.76 -2.71 -0.48 4.85 8.00 -1.26 -1.38 116.55 126.34 1xcg n ASP 49 Ca -0.15 -0.60 -0.06 0.00 0.71 0.00 0.00 54.79 54.68 1xcg n ASP 49 Cb 0.54 -2.29 -0.03 0.00 -0.02 0.00 0.00 41.12 39.32 1xcg n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xcg n GLY 50 N -1.08 0.85 3.50 0.44 0.00 -1.26 -4.99 105.19 102.65 1xcg n GLY 50 Ca 0.04 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1xcg n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcg s LYS 51 N -2.30 3.68 -0.18 1.61 -0.14 -0.48 -5.10 119.74 116.83 1xcg s LYS 51 Ca 0.00 -0.51 -0.25 0.00 -1.36 0.00 0.00 55.97 53.85 1xcg s LYS 51 Cb 0.00 -2.96 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 1xcg s LYS 51 CO 0.00 0.20 0.82 -0.65 -0.76 0.00 0.00 175.35 174.96 1xcg s GLN 52 N 0.47 4.27 -0.06 1.68 -1.52 -1.26 -2.73 119.66 120.52 1xcg s GLN 52 Ca -0.03 0.98 0.03 0.00 -1.95 0.00 0.00 55.36 54.40 1xcg s GLN 52 Cb -0.14 -3.59 0.01 0.00 -0.22 0.00 0.00 33.01 29.07 1xcg s GLN 52 CO 0.03 -0.36 -0.15 0.08 -0.25 0.00 0.00 175.29 174.64 1xcg s VAL 53 N 2.26 1.34 -0.40 1.09 1.01 -0.05 -4.10 120.40 121.54 1xcg s VAL 53 Ca 0.37 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1xcg s VAL 53 Cb -0.16 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1xcg s VAL 53 CO 0.11 0.40 0.72 -1.61 0.00 0.00 0.00 175.10 174.72 1xcg s GLU 54 N 0.41 3.54 -0.34 2.72 2.02 0.10 -1.39 118.70 125.76 1xcg s GLU 54 Ca -0.11 -0.01 -0.07 0.00 0.02 0.00 0.00 54.97 54.79 1xcg s GLU 54 Cb -0.14 -3.88 0.03 0.00 0.10 0.00 0.00 34.13 30.24 1xcg s GLU 54 CO 0.04 -0.93 0.12 -1.17 0.02 0.00 0.00 175.26 173.34 1xcg s LEU 55 N 3.00 4.34 -0.17 1.80 0.20 0.00 -0.66 118.68 127.20 1xcg s LEU 55 Ca 0.27 -1.06 -0.28 0.00 0.69 0.00 0.00 54.13 53.75 1xcg s LEU 55 Cb -0.13 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1xcg s LEU 55 CO 0.19 -0.32 0.96 0.00 -0.29 0.00 0.00 176.35 176.88 1xcg s ALA 56 N 1.44 3.53 -0.25 5.97 0.00 -0.13 0.44 121.76 132.76 1xcg s ALA 56 Ca -0.01 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 1xcg s ALA 56 Cb -0.19 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1xcg s ALA 56 CO 0.03 -0.76 0.16 -0.51 0.00 0.00 0.00 175.76 174.69 1xcg s LEU 57 N 2.43 4.03 -0.16 0.00 1.43 0.15 -1.12 118.68 125.44 1xcg s LEU 57 Ca 0.44 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1xcg s LEU 57 Cb -0.17 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1xcg s LEU 57 CO 0.12 0.02 -0.12 0.26 0.23 0.00 0.00 176.35 176.86 1xcg s TRP 58 N 1.34 2.83 0.17 0.29 0.52 -0.36 -2.82 118.94 120.92 1xcg s TRP 58 Ca 0.07 -0.86 -0.19 0.00 0.02 0.00 0.00 56.10 55.13 1xcg s TRP 58 Cb -0.15 -1.92 -0.08 0.00 -1.15 0.00 0.00 33.47 30.18 1xcg s TRP 58 CO 0.07 -0.38 0.67 0.34 0.02 0.00 0.00 176.95 177.66 1xcg s ASP 59 N 0.76 7.06 -0.12 2.95 2.15 -1.26 -2.36 116.67 125.85 1xcg s ASP 59 Ca -0.05 1.36 0.15 0.00 0.43 0.00 0.00 52.55 54.44 1xcg s ASP 59 Cb -0.15 -2.39 0.34 0.00 -0.30 0.00 0.00 42.92 40.41 1xcg s ASP 59 CO 0.01 0.12 1.23 0.35 -0.17 0.00 0.00 175.17 176.71 1xcg n THR 60 N 1.05 1.83 -2.12 1.71 -2.24 -1.25 -4.98 114.28 108.27 1xcg n THR 60 Ca -0.05 -1.86 -0.42 0.00 -2.27 0.00 0.00 64.05 59.46 1xcg n THR 60 Cb 0.51 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1xcg n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcg s ALA 61 N -2.45 3.62 0.00 6.98 0.00 -1.26 -1.95 121.76 126.70 1xcg s ALA 61 Ca 0.31 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1xcg s ALA 61 Cb 0.25 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1xcg s ALA 61 CO 0.06 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1xcg n GLY 62 N 3.46 0.11 1.02 0.00 0.00 -1.26 -4.93 105.19 103.60 1xcg n GLY 62 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1xcg n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xcg n GLN 63 N -1.89 2.35 0.19 1.61 6.02 -0.82 -4.62 117.38 120.21 1xcg n GLN 63 Ca 0.00 -2.03 0.04 0.00 -0.01 0.00 0.00 57.00 55.00 1xcg n GLN 63 Cb 0.00 -1.49 0.45 0.00 1.02 0.00 0.00 30.24 30.23 1xcg n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1xcg h GLU 64 N 4.12 0.06 -0.74 -1.09 3.07 -1.92 -2.67 114.58 115.41 1xcg h GLU 64 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1xcg h GLU 64 Cb 0.90 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1xcg h GLU 64 CO 0.00 0.26 0.00 -0.25 -1.40 0.00 0.00 179.01 177.62 1xcg n ASP 65 N -4.28 3.98 -3.82 1.42 8.00 -1.26 -4.79 116.55 115.80 1xcg n ASP 65 Ca -0.02 -2.01 -0.30 0.00 0.71 0.00 0.00 54.79 53.18 1xcg n ASP 65 Cb 0.27 -0.50 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 1xcg n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xcg s TYR 66 N -1.02 2.59 -0.02 1.24 2.02 -1.01 -4.98 117.35 116.17 1xcg s TYR 66 Ca 0.50 -2.81 0.27 0.00 -0.37 0.00 0.00 57.07 54.65 1xcg s TYR 66 Cb 0.26 -2.33 1.45 0.00 -0.40 0.00 0.00 41.96 40.94 1xcg s TYR 66 CO 0.34 -0.75 1.83 -0.44 -1.57 0.00 0.00 175.55 174.95 1xcg h ASP 67 N 6.52 0.00 0.00 2.29 3.32 -1.87 -1.61 116.42 125.07 1xcg h ASP 67 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1xcg h ASP 67 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1xcg h ASP 67 CO 0.59 0.00 -0.00 0.54 -1.72 0.00 0.00 179.24 178.64 1xcg n ARG 68 N -2.45 6.88 0.01 3.56 5.12 -1.26 -4.43 116.66 124.09 1xcg n ARG 68 Ca -0.02 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.75 1xcg n ARG 68 Cb 0.06 -0.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.72 1xcg n ARG 68 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1xcg h LEU 69 N 0.00 0.24 -0.30 0.55 3.38 -1.85 -3.40 115.31 113.94 1xcg h LEU 69 Ca 0.00 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.57 1xcg h LEU 69 Cb 0.00 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1xcg h LEU 69 CO 0.00 1.42 -0.22 -0.09 0.09 0.00 0.00 178.44 179.64 1xcg h ARG 70 N 0.04 -0.19 0.00 1.13 2.43 -1.53 -2.12 114.38 114.14 1xcg h ARG 70 Ca -0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1xcg h ARG 70 Cb 2.02 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1xcg h ARG 70 CO 0.10 -0.13 0.00 -1.35 -1.51 0.00 0.00 179.97 177.09 1xcg h PRO 71 N -0.20 0.00 -0.06 0.20 0.11 -1.77 -2.47 132.00 127.81 1xcg h PRO 71 Ca 0.16 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.28 1xcg h PRO 71 Cb 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1xcg h PRO 71 CO -0.41 0.00 0.14 -0.07 -0.21 0.00 0.00 178.00 177.44 1xcg h LEU 72 N 0.00 0.00 0.00 2.35 3.38 -1.59 -1.25 115.31 118.20 1xcg h LEU 72 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xcg h LEU 72 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xcg h LEU 72 CO 0.00 0.00 -0.41 0.28 0.09 0.00 0.00 178.44 178.40 1xcg h SER 73 N 0.00 0.00 1.20 -0.43 0.02 -1.61 -3.39 113.55 109.35 1xcg h SER 73 Ca 0.03 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1xcg h SER 73 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1xcg h SER 73 CO -0.00 0.05 -0.42 1.88 -1.14 0.00 0.00 176.83 177.20 1xcg h TYR 74 N 0.00 0.00 -3.55 3.45 0.05 -1.40 -3.46 116.97 112.06 1xcg h TYR 74 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1xcg h TYR 74 Cb 0.80 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.63 1xcg h TYR 74 CO 0.00 0.42 0.85 -2.14 -1.05 0.00 0.00 178.16 176.24 1xcg s PRO 75 N -3.27 4.12 -1.42 4.88 0.02 -1.26 -2.87 135.00 135.20 1xcg s PRO 75 Ca 0.02 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1xcg s PRO 75 Cb 0.09 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1xcg s PRO 75 CO 0.71 -0.60 0.00 -0.25 -0.33 0.00 0.00 177.00 176.53 1xcg n ASP 76 N 1.55 -4.60 -4.73 2.53 8.00 -1.26 -5.00 116.55 113.04 1xcg n ASP 76 Ca 0.06 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.44 1xcg n ASP 76 Cb 0.38 -3.37 -0.04 0.00 -0.02 0.00 0.00 41.12 38.07 1xcg n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xcg s THR 77 N -2.53 3.96 -0.14 -3.53 2.01 -1.14 -4.58 115.64 109.70 1xcg s THR 77 Ca 0.00 1.59 0.19 0.00 0.31 0.00 0.00 61.69 63.79 1xcg s THR 77 Cb 0.00 -4.02 -0.27 0.00 0.01 0.00 0.00 72.50 68.22 1xcg s THR 77 CO 0.00 0.23 0.25 0.47 -0.69 0.00 0.00 174.62 174.88 1xcg n ASP 78 N 2.85 0.06 -3.73 3.53 8.00 0.93 -4.93 116.55 123.26 1xcg n ASP 78 Ca 0.04 0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1xcg n ASP 78 Cb 0.46 1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 42.73 1xcg n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xcg s VAL 79 N -2.84 -0.00 -0.22 2.53 0.11 -0.73 -4.23 120.40 115.01 1xcg s VAL 79 Ca -0.09 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1xcg s VAL 79 Cb 0.09 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1xcg s VAL 79 CO 0.85 0.00 0.07 -0.63 -3.33 0.00 0.00 175.10 172.07 1xcg s ILE 80 N 0.34 4.52 -0.46 7.04 1.09 -0.56 -2.43 121.20 130.73 1xcg s ILE 80 Ca -0.01 -0.11 -0.24 0.00 -1.10 0.00 0.00 60.65 59.19 1xcg s ILE 80 Cb -0.03 -3.08 0.03 0.00 -1.06 0.00 0.00 42.46 38.31 1xcg s ILE 80 CO -0.01 0.38 0.84 -0.76 -0.10 0.00 0.00 174.94 175.30 1xcg s LEU 81 N 1.11 4.17 -0.39 2.97 1.43 -0.92 -0.99 118.68 126.06 1xcg s LEU 81 Ca 0.04 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 1xcg s LEU 81 Cb -0.14 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1xcg s LEU 81 CO 0.03 -0.99 0.27 -0.32 0.23 0.00 0.00 176.35 175.58 1xcg s MET 82 N 3.50 3.03 -0.10 1.70 1.75 -0.45 0.07 119.30 128.80 1xcg s MET 82 Ca 0.32 -0.97 -0.05 0.00 -1.25 0.00 0.00 55.69 53.74 1xcg s MET 82 Cb -0.12 -3.91 -0.04 0.00 2.84 0.00 0.00 34.83 33.61 1xcg s MET 82 CO 0.24 -0.69 0.11 0.00 -0.65 0.00 0.00 175.02 174.02 1xcg s PHE 84 N -1.02 1.75 -0.08 0.00 -0.71 -0.29 -4.28 117.98 113.35 1xcg s PHE 84 Ca 0.16 -1.07 0.04 0.00 -1.04 0.00 0.00 56.93 55.02 1xcg s PHE 84 Cb -0.12 -1.50 -0.00 0.00 -1.21 0.00 0.00 43.02 40.19 1xcg s PHE 84 CO 0.05 0.09 -0.22 0.45 -1.34 0.00 0.00 175.22 174.25 1xcg s SER 85 N -3.86 2.84 0.32 1.98 0.15 -1.26 -1.47 113.70 112.40 1xcg s SER 85 Ca 0.04 -0.50 0.10 0.00 0.70 0.00 0.00 55.95 56.29 1xcg s SER 85 Cb 0.00 -1.16 0.90 0.00 -1.71 0.00 0.00 66.02 64.05 1xcg s SER 85 CO 0.03 0.16 1.73 0.40 1.20 0.00 0.00 173.24 176.76 1xcg h ILE 86 N 5.59 0.54 0.00 6.45 5.03 -1.44 -0.34 117.51 133.33 1xcg h ILE 86 Ca -0.24 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 1xcg h ILE 86 Cb 1.22 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 1xcg h ILE 86 CO 0.47 0.10 0.00 -0.90 -0.68 0.00 0.00 178.15 177.15 1xcg n ASP 87 N -4.87 0.10 -3.36 1.72 5.75 -1.26 -0.26 116.55 114.37 1xcg n ASP 87 Ca 0.27 -1.98 -0.21 0.00 -0.01 0.00 0.00 54.79 52.86 1xcg n ASP 87 Cb 0.75 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.71 1xcg n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xcg s SER 88 N -0.91 1.58 0.38 -1.12 0.15 -0.14 -4.95 113.70 108.70 1xcg s SER 88 Ca 0.00 -2.00 0.23 0.00 0.70 0.00 0.00 55.95 54.88 1xcg s SER 88 Cb 0.00 0.20 1.27 0.00 -1.71 0.00 0.00 66.02 65.79 1xcg s SER 88 CO 0.00 -0.25 1.70 -0.65 1.20 0.00 0.00 173.24 175.24 1xcg h PRO 89 N 6.70 0.00 -0.01 5.44 0.11 -1.76 -2.05 132.00 140.43 1xcg h PRO 89 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xcg h PRO 89 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1xcg h PRO 89 CO 0.23 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.58 1xcg h ASP 90 N 0.00 0.03 -0.78 -2.05 3.45 -1.93 -2.74 116.42 112.39 1xcg h ASP 90 Ca 0.00 -0.40 0.09 0.00 0.43 0.00 0.00 57.03 57.15 1xcg h ASP 90 Cb 0.13 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.84 1xcg h ASP 90 CO 0.00 0.42 0.51 0.77 -1.57 0.00 0.00 179.24 179.37 1xcg h SER 91 N -0.36 0.67 -0.38 6.45 4.64 -1.69 -1.31 113.55 121.56 1xcg h SER 91 Ca 0.00 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1xcg h SER 91 Cb 0.41 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1xcg h SER 91 CO 0.00 0.41 -0.13 0.25 -0.87 0.00 0.00 176.83 176.49 1xcg h LEU 92 N 0.74 0.78 -1.76 5.97 5.85 -1.53 -2.66 115.31 122.70 1xcg h LEU 92 Ca 0.35 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1xcg h LEU 92 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xcg h LEU 92 CO -0.13 0.98 0.12 -0.08 -0.34 0.00 0.00 178.44 178.99 1xcg h GLU 93 N 0.57 0.28 0.00 1.25 4.57 -1.05 -1.27 114.58 118.92 1xcg h GLU 93 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1xcg h GLU 93 Cb 0.66 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1xcg h GLU 93 CO 0.05 0.20 0.00 0.09 -1.18 0.00 0.00 179.01 178.17 1xcg n ASN 94 N -4.49 0.00 0.23 1.04 4.13 -0.56 -2.97 115.26 112.64 1xcg n ASN 94 Ca 0.00 -0.02 -0.10 0.00 1.68 0.00 0.00 54.58 56.14 1xcg n ASN 94 Cb 0.09 -0.26 -0.05 0.00 -1.54 0.00 0.00 39.78 38.02 1xcg n ASN 94 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1xcg h ILE 95 N 0.00 0.00 0.00 2.41 1.08 -1.17 -1.02 117.51 118.81 1xcg h ILE 95 Ca 0.00 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1xcg h ILE 95 Cb 0.16 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1xcg h ILE 95 CO 0.00 0.00 -0.01 1.55 -0.69 0.00 0.00 178.15 179.00 1xcg h PRO 96 N -0.99 0.00 0.00 2.37 0.13 -1.74 0.31 132.00 132.08 1xcg h PRO 96 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1xcg h PRO 96 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1xcg h PRO 96 CO 0.11 0.01 -0.10 1.49 -0.23 0.00 0.00 178.00 179.27 1xcg h GLU 97 N 0.00 0.00 0.00 0.86 4.57 -1.58 -3.41 114.58 115.02 1xcg h GLU 97 Ca -0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1xcg h GLU 97 Cb 0.62 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1xcg h GLU 97 CO 0.00 0.45 -2.12 1.17 -1.18 0.00 0.00 179.01 177.33 1xcg n LYS 98 N -4.68 0.46 0.12 1.92 4.81 -0.46 -4.83 118.16 115.49 1xcg n LYS 98 Ca -0.06 0.20 -0.24 0.00 -0.87 0.00 0.00 58.31 57.34 1xcg n LYS 98 Cb 0.24 -1.27 -0.16 0.00 0.02 0.00 0.00 35.03 33.87 1xcg n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1xcg h TRP 99 N -0.78 0.87 0.76 5.64 4.06 -0.98 -3.23 115.95 122.29 1xcg h TRP 99 Ca -0.52 -0.64 -0.04 0.00 2.06 0.00 0.00 58.89 59.76 1xcg h TRP 99 Cb 1.44 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 29.57 1xcg h TRP 99 CO -0.09 1.60 -0.36 1.15 -3.56 0.00 0.00 178.44 177.17 1xcg h THR 100 N 0.10 0.20 -0.98 1.49 2.02 -0.66 -1.77 112.91 113.30 1xcg h THR 100 Ca -0.29 -0.11 0.14 0.00 0.77 0.00 0.00 66.41 66.92 1xcg h THR 100 Cb 2.12 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 68.66 1xcg h THR 100 CO 0.23 0.01 0.60 1.55 0.37 0.00 0.00 175.52 178.28 1xcg h PRO 101 N -1.11 0.85 -0.28 6.66 0.13 -1.79 -0.50 132.00 135.96 1xcg h PRO 101 Ca -0.10 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1xcg h PRO 101 Cb 0.80 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1xcg h PRO 101 CO 0.17 0.56 0.14 1.49 -0.23 0.00 0.00 178.00 180.13 1xcg h GLU 102 N 0.88 0.40 -0.42 0.86 4.81 -1.55 -0.98 114.58 118.58 1xcg h GLU 102 Ca 0.52 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.54 1xcg h GLU 102 Cb 0.63 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xcg h GLU 102 CO -0.31 0.38 -0.30 0.28 -0.73 0.00 0.00 179.01 178.33 1xcg h VAL 103 N 0.32 1.27 0.00 0.32 2.07 -0.61 -1.66 116.25 117.97 1xcg h VAL 103 Ca 0.10 -1.47 -0.12 0.00 0.82 0.00 0.00 66.70 66.03 1xcg h VAL 103 Cb 0.11 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1xcg h VAL 103 CO -0.01 0.50 -0.56 0.11 0.02 0.00 0.00 177.57 177.62 1xcg h LYS 104 N 0.78 0.00 -0.11 1.57 1.57 -1.12 0.58 116.57 119.85 1xcg h LYS 104 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1xcg h LYS 104 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1xcg h LYS 104 CO 0.08 0.56 -0.03 1.25 -0.57 0.00 0.00 179.45 180.75 1xcg h HIS 105 N 0.00 0.24 0.00 -1.35 2.76 -0.91 -3.22 115.15 112.67 1xcg h HIS 105 Ca -0.01 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1xcg h HIS 105 Cb 1.03 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1xcg h HIS 105 CO 0.00 0.52 -1.11 1.19 -1.30 0.00 0.00 177.93 177.23 1xcg n PHE 106 N -4.75 0.62 -2.95 5.26 3.72 -0.65 -4.50 117.46 114.21 1xcg n PHE 106 Ca -0.06 0.18 -0.19 0.00 -0.05 0.00 0.00 57.45 57.33 1xcg n PHE 106 Cb 0.24 -0.74 -0.02 0.00 -0.94 0.00 0.00 39.48 38.03 1xcg n PHE 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xcg s PRO 108 N -2.92 4.28 0.00 0.00 0.04 -1.21 -2.03 135.00 133.16 1xcg s PRO 108 Ca 0.40 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1xcg s PRO 108 Cb 0.36 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1xcg s PRO 108 CO -0.08 -0.35 0.00 0.09 0.04 0.00 0.00 177.00 176.70 1xcg n ASN 109 N 1.43 -2.54 -4.70 6.66 3.02 -1.26 -4.99 115.26 112.89 1xcg n ASN 109 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1xcg n ASN 109 Cb 0.41 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.00 1xcg n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xcg s VAL 110 N -2.02 4.92 0.41 2.41 1.01 -0.86 -5.01 120.40 121.26 1xcg s VAL 110 Ca 0.00 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.43 1xcg s VAL 110 Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1xcg s VAL 110 CO 0.00 0.13 1.43 -2.16 0.00 0.00 0.00 175.10 174.51 1xcg s PRO 111 N 1.40 3.95 -0.13 2.72 0.04 -1.26 -4.83 135.00 136.88 1xcg s PRO 111 Ca 0.42 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.92 1xcg s PRO 111 Cb -0.18 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 1xcg s PRO 111 CO 0.19 -0.62 -0.17 0.42 0.04 0.00 0.00 177.00 176.86 1xcg s ILE 112 N -1.17 2.61 -0.21 0.56 1.01 -1.26 -1.50 121.20 121.24 1xcg s ILE 112 Ca 0.56 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 1xcg s ILE 112 Cb -0.44 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1xcg s ILE 112 CO 0.58 0.53 0.10 0.27 0.00 0.00 0.00 174.94 176.43 1xcg s ILE 113 N 0.56 5.00 -0.18 2.92 -4.36 -0.16 0.10 121.20 125.08 1xcg s ILE 113 Ca -0.10 0.05 -0.25 0.00 -0.26 0.00 0.00 60.65 60.09 1xcg s ILE 113 Cb -0.16 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.24 1xcg s ILE 113 CO 0.04 0.41 0.81 -0.22 0.24 0.00 0.00 174.94 176.22 1xcg s LEU 114 N 0.70 4.16 -0.17 0.37 2.96 -0.81 -1.34 118.68 124.54 1xcg s LEU 114 Ca 0.05 1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 55.08 1xcg s LEU 114 Cb -0.13 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1xcg s LEU 114 CO 0.02 -0.40 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.84 1xcg s VAL 115 N 2.18 2.95 -0.47 1.68 1.01 0.19 -1.70 120.40 126.26 1xcg s VAL 115 Ca 0.37 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1xcg s VAL 115 Cb -0.16 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1xcg s VAL 115 CO 0.12 0.49 0.42 -0.83 0.00 0.00 0.00 175.10 175.30 1xcg s GLY 116 N 0.97 1.99 0.48 4.51 0.00 -0.26 -1.13 107.32 113.88 1xcg s GLY 116 Ca -0.02 -1.95 -0.00 0.00 0.00 0.00 0.00 44.72 42.74 1xcg s GLY 116 CO -0.01 1.11 0.72 0.21 0.00 0.00 0.00 173.10 175.13 1xcg s ASN 117 N 2.43 5.73 -1.47 1.64 3.04 -0.54 -1.15 114.94 124.62 1xcg s ASN 117 Ca 0.07 0.31 -0.07 0.00 0.04 0.00 0.00 52.86 53.21 1xcg s ASN 117 Cb -0.22 -1.48 0.01 0.00 -1.54 0.00 0.00 41.25 38.02 1xcg s ASN 117 CO 0.08 -0.81 0.89 0.29 -3.04 0.00 0.00 177.10 174.52 1xcg n LYS 118 N -2.18 -6.39 0.28 0.43 5.02 -0.63 -1.30 118.16 113.38 1xcg n LYS 118 Ca 0.03 0.87 0.11 0.00 -2.02 0.00 0.00 58.31 57.30 1xcg n LYS 118 Cb 0.58 -5.83 0.77 0.00 -0.02 0.00 0.00 35.03 30.53 1xcg n LYS 118 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1xcg h LYS 119 N -2.04 0.00 0.00 1.97 2.10 -1.56 -1.64 116.57 115.41 1xcg h LYS 119 Ca -0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1xcg h LYS 119 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1xcg h LYS 119 CO 0.57 0.01 0.00 -0.40 -2.00 0.00 0.00 179.45 177.63 1xcg n ASP 120 N -4.16 0.00 -0.32 7.07 5.75 -1.26 0.35 116.55 123.98 1xcg n ASP 120 Ca -0.03 -0.01 0.07 0.00 -0.01 0.00 0.00 54.79 54.81 1xcg n ASP 120 Cb 0.10 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1xcg n ASP 120 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1xcg n LEU 121 N -1.05 1.48 -0.14 -2.12 4.32 -0.61 -4.44 117.00 114.44 1xcg n LEU 121 Ca 0.01 -0.78 0.06 0.00 -0.02 0.00 0.00 56.01 55.28 1xcg n LEU 121 Cb 0.01 0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.18 1xcg n LEU 121 CO 0.01 0.29 1.20 -0.09 -1.22 0.00 0.00 177.39 177.58 1xcg h ARG 122 N 1.55 0.69 0.00 3.23 2.43 -0.24 -2.76 114.38 119.28 1xcg h ARG 122 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1xcg h ARG 122 Cb 0.46 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1xcg h ARG 122 CO 0.00 0.46 -0.52 0.09 -1.51 0.00 0.00 179.97 178.48 1xcg n ASN 123 N -4.47 1.62 -4.76 -3.80 3.02 -1.26 -4.79 115.26 100.82 1xcg n ASN 123 Ca 0.08 -3.43 -0.41 0.00 -0.03 0.00 0.00 54.58 50.80 1xcg n ASN 123 Cb 0.18 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1xcg n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xcg s ASP 124 N -2.92 6.78 0.03 6.41 2.15 -1.04 -4.97 116.67 123.10 1xcg s ASP 124 Ca 0.35 2.65 -0.23 0.00 0.43 0.00 0.00 52.55 55.76 1xcg s ASP 124 Cb 0.35 -2.64 -0.16 0.00 -0.30 0.00 0.00 42.92 40.17 1xcg s ASP 124 CO -0.07 -0.55 1.41 -0.33 -0.17 0.00 0.00 175.17 175.46 1xcg h GLU 125 N 3.78 0.15 -0.40 4.34 4.39 -1.96 -2.80 114.58 122.08 1xcg h GLU 125 Ca -0.48 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 1xcg h GLU 125 Cb 1.22 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1xcg h GLU 125 CO 0.68 0.47 0.20 1.25 -1.16 0.00 0.00 179.01 180.45 1xcg h HIS 126 N -0.18 0.57 0.34 4.33 2.76 -1.97 -3.19 115.15 117.80 1xcg h HIS 126 Ca 0.02 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1xcg h HIS 126 Cb 0.42 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1xcg h HIS 126 CO 0.05 0.46 -0.20 1.15 -1.30 0.00 0.00 177.93 178.09 1xcg h THR 127 N 0.51 0.57 -0.73 6.26 2.02 -1.88 -2.76 112.91 116.90 1xcg h THR 127 Ca 0.14 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.48 1xcg h THR 127 Cb 0.10 0.57 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 1xcg h THR 127 CO -0.02 0.00 0.05 -0.09 0.37 0.00 0.00 175.52 175.83 1xcg h ARG 128 N -0.52 0.14 -0.22 6.66 2.43 -1.50 -1.50 114.38 119.87 1xcg h ARG 128 Ca -0.04 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1xcg h ARG 128 Cb 0.43 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1xcg h ARG 128 CO 0.04 0.09 -0.35 0.00 -1.51 0.00 0.00 179.97 178.24 1xcg h ARG 129 N 0.14 0.62 -0.74 0.20 3.08 -1.54 -2.46 114.38 113.69 1xcg h ARG 129 Ca 0.40 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xcg h ARG 129 Cb 0.71 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1xcg h ARG 129 CO -0.61 0.99 0.35 0.93 -1.07 0.00 0.00 179.97 180.56 1xcg h GLU 130 N 0.31 1.06 -0.30 0.04 4.39 -1.10 -2.39 114.58 116.59 1xcg h GLU 130 Ca 0.02 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 1xcg h GLU 130 Cb 0.94 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1xcg h GLU 130 CO 0.08 0.82 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.28 1xcg h LEU 131 N 1.05 0.76 -2.03 1.33 4.07 -1.30 -3.06 115.31 116.13 1xcg h LEU 131 Ca 0.26 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1xcg h LEU 131 Cb 0.11 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1xcg h LEU 131 CO -0.03 1.07 -0.01 0.00 -1.08 0.00 0.00 178.44 178.38 1xcg h ALA 132 N 0.97 1.02 0.00 1.53 0.00 -0.93 -0.72 119.26 121.12 1xcg h ALA 132 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xcg h ALA 132 Cb 0.94 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xcg h ALA 132 CO 0.09 0.02 -0.24 0.87 0.00 0.00 0.00 179.25 179.98 1xcg h LYS 133 N 0.00 0.00 -0.48 0.00 1.79 -1.37 -2.88 116.57 113.63 1xcg h LYS 133 Ca -0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1xcg h LYS 133 Cb 0.32 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.89 1xcg h LYS 133 CO 0.00 0.24 0.10 -0.12 -1.08 0.00 0.00 179.45 178.59 1xcg n MET 134 N -4.18 3.01 -2.95 3.15 1.56 -0.63 -4.94 117.12 112.14 1xcg n MET 134 Ca -0.02 -3.03 -0.22 0.00 -0.27 0.00 0.00 57.70 54.16 1xcg n MET 134 Cb 0.30 -2.00 0.03 0.00 2.15 0.00 0.00 33.22 33.70 1xcg n MET 134 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1xcg n LYS 135 N -0.51 -4.59 -4.39 2.12 4.81 -1.09 -5.01 118.16 109.50 1xcg n LYS 135 Ca 0.32 0.92 -0.20 0.00 -0.87 0.00 0.00 58.31 58.48 1xcg n LYS 135 Cb 1.14 -5.74 -0.10 0.00 0.02 0.00 0.00 35.03 30.34 1xcg n LYS 135 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1xcg s GLN 136 N -5.63 1.47 0.09 1.64 -0.21 -0.37 -4.98 119.66 111.66 1xcg s GLN 136 Ca 0.27 -1.72 -0.02 0.00 0.02 0.00 0.00 55.36 53.91 1xcg s GLN 136 Cb -0.12 -1.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1xcg s GLN 136 CO 0.34 0.05 0.05 -1.83 -2.12 0.00 0.00 175.29 171.77 1xcg s GLU 137 N -3.73 0.78 0.84 2.91 -1.05 -1.26 -2.16 118.70 115.03 1xcg s GLU 137 Ca 0.28 -1.26 -0.14 0.00 -0.15 0.00 0.00 54.97 53.69 1xcg s GLU 137 Cb 0.03 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 1xcg s GLU 137 CO 0.10 -0.20 0.56 -2.30 0.95 0.00 0.00 175.26 174.37 1xcg n PRO 138 N -0.00 0.01 -2.33 -4.83 -0.02 -1.26 -4.72 135.00 121.85 1xcg n PRO 138 Ca -0.11 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1xcg n PRO 138 Cb 0.62 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1xcg n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xcg s VAL 139 N -2.16 3.69 0.37 -1.45 1.01 0.64 -5.01 120.40 117.49 1xcg s VAL 139 Ca 0.62 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 63.66 1xcg s VAL 139 Cb -0.28 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1xcg s VAL 139 CO 0.61 0.13 0.89 -0.54 0.00 0.00 0.00 175.10 176.19 1xcg s LYS 140 N 0.70 4.26 0.41 2.72 1.02 -1.26 -4.93 119.74 122.66 1xcg s LYS 140 Ca 0.59 1.05 0.14 0.00 0.02 0.00 0.00 55.97 57.76 1xcg s LYS 140 Cb -0.33 -2.41 0.99 0.00 -0.52 0.00 0.00 37.83 35.56 1xcg s LYS 140 CO 0.32 0.11 1.92 -1.35 -0.92 0.00 0.00 175.35 175.42 1xcg h PRO 141 N 2.36 0.47 -0.06 -1.68 0.11 -2.00 -2.00 132.00 129.20 1xcg h PRO 141 Ca -0.48 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1xcg h PRO 141 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1xcg h PRO 141 CO 0.63 0.31 -0.65 0.93 -0.21 0.00 0.00 178.00 179.01 1xcg h GLU 142 N 0.48 0.26 0.19 1.05 3.07 -1.99 -1.79 114.58 115.85 1xcg h GLU 142 Ca 0.37 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1xcg h GLU 142 Cb 0.76 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1xcg h GLU 142 CO -0.13 0.82 -0.09 0.93 -1.40 0.00 0.00 179.01 179.14 1xcg h GLU 143 N 0.18 -0.24 -0.62 2.33 5.08 -1.76 -1.33 114.58 118.22 1xcg h GLU 143 Ca -0.01 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1xcg h GLU 143 Cb 1.18 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.39 1xcg h GLU 143 CO 0.10 -0.14 0.10 0.78 -1.00 0.00 0.00 179.01 178.85 1xcg h GLY 144 N -0.28 0.76 0.95 -3.84 0.00 -1.31 -1.38 103.07 97.97 1xcg h GLY 144 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 1xcg h GLY 144 CO 0.04 -0.15 -0.19 -0.09 0.00 0.00 0.00 176.54 176.15 1xcg h ARG 145 N 0.22 0.68 -0.23 4.80 2.43 -1.24 -1.38 114.38 119.65 1xcg h ARG 145 Ca 0.33 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1xcg h ARG 145 Cb 0.51 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1xcg h ARG 145 CO -0.45 0.92 0.10 -0.44 -1.51 0.00 0.00 179.97 178.59 1xcg h ASP 146 N 0.44 0.14 -0.48 -3.80 3.32 -1.00 -0.46 116.42 114.59 1xcg h ASP 146 Ca 0.06 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.18 1xcg h ASP 146 Cb 0.73 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1xcg h ASP 146 CO 0.05 0.12 0.32 -0.03 -1.72 0.00 0.00 179.24 177.98 1xcg h MET 147 N 0.23 0.44 -0.38 3.56 4.05 -1.18 0.61 114.93 122.25 1xcg h MET 147 Ca 0.10 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.34 1xcg h MET 147 Cb 0.04 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1xcg h MET 147 CO -0.08 0.29 -0.35 0.00 0.23 0.00 0.00 176.91 177.00 1xcg h ALA 148 N 1.74 0.65 -0.34 0.39 0.00 -0.49 -1.85 119.26 119.35 1xcg h ALA 148 Ca 0.20 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1xcg h ALA 148 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xcg h ALA 148 CO -0.05 0.67 -0.23 -0.91 0.00 0.00 0.00 179.25 178.73 1xcg h ASN 149 N 0.74 0.80 -0.91 0.00 4.21 0.09 0.14 115.58 120.64 1xcg h ASN 149 Ca 0.07 -0.43 0.01 0.00 1.21 0.00 0.00 56.30 57.16 1xcg h ASN 149 Cb 0.93 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.86 1xcg h ASN 149 CO 0.09 1.05 0.61 -0.09 -1.29 0.00 0.00 177.43 177.80 1xcg h ARG 150 N 0.54 1.20 -0.23 0.81 2.43 0.26 -2.22 114.38 117.18 1xcg h ARG 150 Ca 0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xcg h ARG 150 Cb 0.78 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xcg h ARG 150 CO 0.06 0.80 0.00 0.44 -1.51 0.00 0.00 179.97 179.76 1xcg n ILE 151 N -4.45 0.29 -2.78 1.20 -5.35 -0.71 -4.94 119.36 102.63 1xcg n ILE 151 Ca 0.10 -0.43 -0.16 0.00 -0.27 0.00 0.00 62.75 61.99 1xcg n ILE 151 Cb 0.01 0.47 0.02 0.00 -1.74 0.00 0.00 39.64 38.41 1xcg n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xcg n GLY 152 N 1.19 -0.18 3.74 3.28 0.00 -0.84 -4.99 105.19 107.41 1xcg n GLY 152 Ca 0.16 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1xcg n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xcg s ALA 153 N -2.98 2.63 0.30 4.61 0.00 0.44 -4.76 121.76 121.99 1xcg s ALA 153 Ca 0.21 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.40 1xcg s ALA 153 Cb -0.09 -3.54 0.46 0.00 0.00 0.00 0.00 23.12 19.95 1xcg s ALA 153 CO 0.26 -1.40 1.83 0.35 0.00 0.00 0.00 175.76 176.80 1xcg h PHE 154 N 1.07 0.75 -2.13 0.00 3.57 0.35 -3.46 116.94 117.09 1xcg h PHE 154 Ca -0.51 -0.07 0.21 0.00 3.53 0.00 0.00 57.97 61.13 1xcg h PHE 154 Cb 1.31 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 39.74 1xcg h PHE 154 CO 0.45 0.66 0.57 0.20 -2.23 0.00 0.00 178.31 177.95 1xcg s GLY 155 N -3.71 -0.28 -0.14 2.40 0.00 -1.25 -5.04 107.32 99.29 1xcg s GLY 155 Ca -0.09 0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.96 1xcg s GLY 155 CO 0.79 0.05 -0.19 -0.47 0.00 0.00 0.00 173.10 173.28 1xcg s TYR 156 N -3.08 2.70 0.13 1.90 5.04 -1.26 -1.92 117.35 120.86 1xcg s TYR 156 Ca 0.12 -1.14 0.11 0.00 -2.44 0.00 0.00 57.07 53.71 1xcg s TYR 156 Cb 0.00 -1.82 -0.04 0.00 0.35 0.00 0.00 41.96 40.45 1xcg s TYR 156 CO 0.00 -0.51 -0.26 -1.64 -1.34 0.00 0.00 175.55 171.81 1xcg s MET 157 N 0.70 1.36 0.10 4.97 -1.94 -0.69 -5.02 119.30 118.79 1xcg s MET 157 Ca -0.09 -1.33 0.08 0.00 -1.71 0.00 0.00 55.69 52.65 1xcg s MET 157 Cb -0.16 -1.81 -0.03 0.00 2.01 0.00 0.00 34.83 34.83 1xcg s MET 157 CO 0.01 0.43 -0.22 -1.21 -0.01 0.00 0.00 175.02 174.02 1xcg s GLU 158 N -2.08 1.17 0.33 2.03 2.02 -1.26 -1.10 118.70 119.81 1xcg s GLU 158 Ca 0.13 -1.17 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 1xcg s GLU 158 Cb -0.10 -1.46 0.05 0.00 0.10 0.00 0.00 34.13 32.72 1xcg s GLU 158 CO 0.06 0.34 0.68 0.00 0.02 0.00 0.00 175.26 176.36 1xcg s SER 160 N -2.76 0.54 0.51 0.00 1.04 -0.81 -1.60 113.70 110.62 1xcg s SER 160 Ca 0.14 0.36 0.23 0.00 0.48 0.00 0.00 55.95 57.15 1xcg s SER 160 Cb -0.04 0.75 1.32 0.00 0.10 0.00 0.00 66.02 68.15 1xcg s SER 160 CO 0.10 -0.27 1.98 0.00 0.98 0.00 0.00 173.24 176.02 1xcg h ALA 161 N 8.27 2.42 -0.99 5.32 0.00 -1.91 -0.01 119.26 132.35 1xcg h ALA 161 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xcg h ALA 161 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xcg h ALA 161 CO 0.19 -0.58 0.00 1.63 0.00 0.00 0.00 179.25 180.50 1xcg n LYS 162 N -4.40 0.00 0.00 0.00 4.01 -1.26 -2.31 118.16 114.21 1xcg n LYS 162 Ca 0.11 0.52 0.13 0.00 -0.51 0.00 0.00 58.31 58.56 1xcg n LYS 162 Cb 0.59 -1.34 0.74 0.00 -0.51 0.00 0.00 35.03 34.51 1xcg n LYS 162 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1xcg n THR 163 N -1.82 0.07 -0.76 -0.18 -2.24 -1.20 -4.82 114.28 103.33 1xcg n THR 163 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1xcg n THR 163 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1xcg n THR 163 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xcg n LYS 164 N -1.11 -0.16 -2.01 -0.78 4.81 -0.03 -4.94 118.16 113.93 1xcg n LYS 164 Ca 0.17 0.04 -0.42 0.00 -0.87 0.00 0.00 58.31 57.23 1xcg n LYS 164 Cb 0.14 -3.68 -0.03 0.00 0.02 0.00 0.00 35.03 31.47 1xcg n LYS 164 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xcg s ASP 165 N -2.38 6.66 0.00 3.14 -1.08 -1.12 -2.84 116.67 119.05 1xcg s ASP 165 Ca 0.00 2.50 0.00 0.00 -0.52 0.00 0.00 52.55 54.53 1xcg s ASP 165 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1xcg s ASP 165 CO 0.00 -0.79 0.00 0.61 0.52 0.00 0.00 175.17 175.51 1xcg n GLY 166 N 3.72 2.34 0.16 2.66 0.00 -1.26 -1.92 105.19 110.89 1xcg n GLY 166 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1xcg n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xcg h VAL 167 N 0.00 0.83 -0.78 1.61 2.07 -1.83 -2.35 116.25 115.81 1xcg h VAL 167 Ca 0.00 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.03 1xcg h VAL 167 Cb 0.00 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1xcg h VAL 167 CO 0.00 0.13 0.34 -0.09 0.02 0.00 0.00 177.57 177.97 1xcg h ARG 168 N -0.65 0.48 -0.45 1.57 2.43 -1.91 -0.87 114.38 114.97 1xcg h ARG 168 Ca -0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xcg h ARG 168 Cb 0.46 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1xcg h ARG 168 CO 0.05 0.32 0.27 0.93 -1.51 0.00 0.00 179.97 180.03 1xcg h GLU 169 N 0.49 0.61 0.14 0.20 3.07 -1.93 -1.64 114.58 115.51 1xcg h GLU 169 Ca 0.43 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1xcg h GLU 169 Cb 0.64 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1xcg h GLU 169 CO -0.39 0.43 -0.07 0.28 -1.40 0.00 0.00 179.01 177.87 1xcg h VAL 170 N 0.62 0.95 0.00 3.13 2.07 -0.60 -1.38 116.25 121.04 1xcg h VAL 170 Ca 0.16 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1xcg h VAL 170 Cb -0.02 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xcg h VAL 170 CO -0.03 0.08 -0.44 -0.26 0.02 0.00 0.00 177.57 176.94 1xcg h PHE 171 N -0.34 0.00 -0.14 1.57 0.04 -1.33 -1.45 116.94 115.30 1xcg h PHE 171 Ca -0.02 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 1xcg h PHE 171 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1xcg h PHE 171 CO -0.02 0.44 -0.43 0.93 -0.60 0.00 0.00 178.31 178.62 1xcg h GLU 172 N 0.00 0.54 -0.80 1.51 5.08 -1.24 -0.64 114.58 119.03 1xcg h GLU 172 Ca -0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1xcg h GLU 172 Cb 0.87 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1xcg h GLU 172 CO 0.06 1.02 0.50 1.98 -1.00 0.00 0.00 179.01 181.56 1xcg h MET 173 N 0.16 1.07 -0.58 2.33 4.05 -1.18 -1.32 114.93 119.46 1xcg h MET 173 Ca -0.02 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1xcg h MET 173 Cb 1.06 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.60 1xcg h MET 173 CO 0.09 0.73 0.33 0.00 0.23 0.00 0.00 176.91 178.29 1xcg h ALA 174 N 1.46 0.74 -0.58 0.39 0.00 -1.12 0.09 119.26 120.25 1xcg h ALA 174 Ca 0.29 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xcg h ALA 174 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1xcg h ALA 174 CO -0.06 0.25 -0.02 1.15 0.00 0.00 0.00 179.25 180.58 1xcg h THR 175 N 0.79 1.27 -0.42 0.00 2.02 -0.91 -0.71 112.91 114.94 1xcg h THR 175 Ca 0.21 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1xcg h THR 175 Cb 0.03 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1xcg h THR 175 CO -0.03 0.42 0.27 0.03 0.37 0.00 0.00 175.52 176.57 1xcg h ARG 176 N 0.92 0.56 -0.81 6.66 3.08 -1.06 -2.30 114.38 121.42 1xcg h ARG 176 Ca 0.16 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1xcg h ARG 176 Cb 0.57 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1xcg h ARG 176 CO 0.03 0.38 0.51 0.00 -1.07 0.00 0.00 179.97 179.82 1xcg h ALA 177 N 1.14 1.10 0.00 0.04 0.00 -0.68 -1.44 119.26 119.42 1xcg h ALA 177 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xcg h ALA 177 Cb -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1xcg h ALA 177 CO -0.03 0.27 -0.08 0.00 0.00 0.00 0.00 179.25 179.40 1xcg h ALA 178 N 1.37 1.29 0.00 0.00 0.00 -0.79 -3.01 119.26 118.12 1xcg h ALA 178 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xcg h ALA 178 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xcg h ALA 178 CO -0.15 0.10 -1.21 1.28 0.00 0.00 0.00 179.25 179.27 1xcg n LEU 179 N -3.61 0.55 0.00 0.00 4.77 -0.58 -4.95 117.00 113.19 1xcg n LEU 179 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xcg n LEU 179 Cb 0.20 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1xcg n LEU 179 CO 0.29 -0.01 0.25 1.67 -1.33 0.00 0.00 177.39 178.25