#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 4.59 -0.22 0.00 1.01 -1.26 -5.00 121.20 120.33 1xcg s ILE 4 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 1xcg s ILE 4 Cb 0.00 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1xcg s ILE 4 CO 0.00 -0.78 0.08 -0.13 0.00 0.00 0.00 174.94 174.11 1xcg s ARG 5 N 3.43 3.88 0.06 2.79 0.52 -1.26 -0.71 118.95 127.66 1xcg s ARG 5 Ca 0.31 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1xcg s ARG 5 Cb -0.12 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1xcg s ARG 5 CO 0.23 0.08 -0.11 0.15 0.02 0.00 0.00 175.30 175.67 1xcg s LYS 6 N 0.92 0.70 -0.15 3.54 -0.14 0.60 -4.98 119.74 120.24 1xcg s LYS 6 Ca 0.04 -0.91 -0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1xcg s LYS 6 Cb -0.14 -0.56 -0.02 0.00 -1.68 0.00 0.00 37.83 35.44 1xcg s LYS 6 CO 0.03 0.11 -0.08 0.21 -0.76 0.00 0.00 175.35 174.86 1xcg s LYS 7 N -1.85 3.50 -0.10 1.68 2.20 -1.26 -0.38 119.74 123.54 1xcg s LYS 7 Ca -0.04 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1xcg s LYS 7 Cb -0.09 -2.78 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 1xcg s LYS 7 CO 0.01 0.19 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.81 1xcg s LEU 8 N 0.46 2.31 -0.14 5.43 0.20 0.67 -0.71 118.68 126.89 1xcg s LEU 8 Ca -0.07 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.32 1xcg s LEU 8 Cb -0.15 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1xcg s LEU 8 CO 0.04 0.19 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.38 1xcg s VAL 9 N 0.17 2.05 -0.18 1.68 1.01 -0.93 -1.29 120.40 122.91 1xcg s VAL 9 Ca -0.12 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1xcg s VAL 9 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1xcg s VAL 9 CO 0.06 0.55 0.47 -0.51 0.00 0.00 0.00 175.10 175.67 1xcg s ILE 10 N 0.80 5.15 0.23 2.22 2.07 -0.86 -1.86 121.20 128.95 1xcg s ILE 10 Ca -0.08 0.88 0.09 0.00 -1.41 0.00 0.00 60.65 60.13 1xcg s ILE 10 Cb -0.16 -3.80 -0.05 0.00 0.13 0.00 0.00 42.46 38.59 1xcg s ILE 10 CO -0.01 0.23 -0.15 0.68 -1.91 0.00 0.00 174.94 173.78 1xcg s VAL 11 N 1.32 1.91 0.00 4.00 -7.23 -0.04 -3.98 120.40 116.38 1xcg s VAL 11 Ca 0.23 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1xcg s VAL 11 Cb -0.15 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1xcg s VAL 11 CO 0.09 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1xcg n GLY 12 N -0.45 1.52 3.74 2.32 0.00 -1.26 -0.06 105.19 110.99 1xcg n GLY 12 Ca -0.07 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1xcg n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xcg s ASP 13 N 0.00 4.11 0.77 1.61 1.01 -1.26 -4.96 116.67 117.94 1xcg s ASP 13 Ca 0.00 2.02 -0.11 0.00 0.71 0.00 0.00 52.55 55.17 1xcg s ASP 13 Cb 0.00 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1xcg s ASP 13 CO 0.00 -2.31 1.10 -0.83 0.21 0.00 0.00 175.17 173.34 1xcg s GLY 14 N -2.91 1.76 -0.22 0.21 0.00 -1.26 -3.24 107.32 101.66 1xcg s GLY 14 Ca 0.65 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1xcg s GLY 14 CO 0.53 0.71 0.00 0.00 0.00 0.00 0.00 173.10 174.34 1xcg n ALA 15 N -3.42 -0.03 0.63 3.20 0.00 -1.26 -4.69 120.51 114.94 1xcg n ALA 15 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.58 1xcg n ALA 15 Cb 0.53 -0.76 0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 0.13 0.08 0.27 0.00 0.00 -1.26 -4.76 105.19 99.63 1xcg n GLY 17 Ca 0.06 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.33 -0.50 -0.76 1.61 1.57 -1.90 -1.59 116.57 114.67 1xcg h LYS 18 Ca -0.23 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1xcg h LYS 18 Cb 1.16 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 1xcg h LYS 18 CO 0.25 -0.33 0.38 1.15 -0.57 0.00 0.00 179.45 180.34 1xcg h THR 19 N -0.52 0.82 -0.31 -0.16 2.02 -1.93 -2.17 112.91 110.67 1xcg h THR 19 Ca -0.01 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1xcg h THR 19 Cb 0.46 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xcg h THR 19 CO -0.03 0.11 -0.17 0.00 0.37 0.00 0.00 175.52 175.80 1xcg h LEU 21 N 0.43 0.01 -1.00 0.00 5.85 -0.91 -2.44 115.31 117.24 1xcg h LEU 21 Ca 0.07 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1xcg h LEU 21 Cb 0.71 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1xcg h LEU 21 CO 0.05 -0.00 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.58 1xcg h LEU 22 N 0.27 0.00 -0.19 2.25 3.38 -1.09 -2.86 115.31 117.07 1xcg h LEU 22 Ca 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1xcg h LEU 22 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xcg h LEU 22 CO -0.43 0.50 -0.31 0.40 0.09 0.00 0.00 178.44 178.68 1xcg h ILE 23 N 0.00 1.34 -0.46 1.22 2.04 -0.97 -2.30 117.51 118.37 1xcg h ILE 23 Ca -0.00 -1.54 -0.14 0.00 1.00 0.00 0.00 64.86 64.18 1xcg h ILE 23 Cb 0.89 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1xcg h ILE 23 CO 0.06 0.47 -0.24 -0.37 0.00 0.00 0.00 178.15 178.08 1xcg h VAL 24 N 0.20 1.27 0.88 1.67 -1.51 -1.46 -2.03 116.25 115.28 1xcg h VAL 24 Ca 0.01 -1.40 -0.04 0.00 -1.23 0.00 0.00 66.70 64.04 1xcg h VAL 24 Cb 0.90 1.17 0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1xcg h VAL 24 CO 0.07 0.48 -0.42 -1.13 -1.23 0.00 0.00 177.57 175.34 1xcg h ASN 25 N 0.83 -1.01 0.05 4.19 -1.24 -1.52 0.59 115.58 117.48 1xcg h ASN 25 Ca 0.10 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 1xcg h ASN 25 Cb 0.82 0.26 -0.00 0.00 0.73 0.00 0.00 38.32 40.13 1xcg h ASN 25 CO 0.07 -0.72 -0.03 0.77 -1.29 0.00 0.00 177.43 176.24 1xcg h SER 26 N -1.19 0.00 0.03 1.15 4.64 -1.43 -2.91 113.55 113.84 1xcg h SER 26 Ca -0.12 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 1xcg h SER 26 Cb 0.91 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1xcg h SER 26 CO 0.20 0.03 -2.09 0.29 -0.87 0.00 0.00 176.83 174.38 1xcg n LYS 27 N -4.06 0.67 -1.17 4.77 4.76 -0.76 -4.98 118.16 117.38 1xcg n LYS 27 Ca -0.03 -0.13 -0.06 0.00 -2.87 0.00 0.00 58.31 55.23 1xcg n LYS 27 Cb 0.11 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 1xcg n LYS 27 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1xcg n ASP 28 N -2.43 -4.01 -3.70 4.39 2.03 0.21 -5.00 116.55 108.03 1xcg n ASP 28 Ca -0.13 0.14 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 1xcg n ASP 28 Cb 0.76 -2.02 -0.09 0.00 -0.72 0.00 0.00 41.12 39.05 1xcg n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xcg s GLN 29 N -2.16 0.57 0.12 -0.67 -2.07 -1.12 -5.03 119.66 109.30 1xcg s GLN 29 Ca 0.00 0.71 -0.30 0.00 -1.82 0.00 0.00 55.36 53.95 1xcg s GLN 29 Cb 0.00 0.26 -0.07 0.00 -1.09 0.00 0.00 33.01 32.11 1xcg s GLN 29 CO 0.00 -0.08 1.12 0.12 -1.32 0.00 0.00 175.29 175.13 1xcg s PHE 30 N 0.38 3.55 -0.30 9.60 5.36 -1.26 -4.25 117.98 131.06 1xcg s PHE 30 Ca -0.01 1.52 -0.28 0.00 -0.96 0.00 0.00 56.93 57.20 1xcg s PHE 30 Cb -0.04 -3.30 -0.06 0.00 -0.34 0.00 0.00 43.02 39.28 1xcg s PHE 30 CO -0.01 -0.74 2.28 -0.35 -1.46 0.00 0.00 175.22 174.94 1xcg n PRO 31 N 3.01 1.65 0.00 10.12 -0.04 -1.26 -4.88 135.00 143.59 1xcg n PRO 31 Ca 0.05 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1xcg n PRO 31 Cb 0.47 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1xcg n PRO 31 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xcg n GLU 32 N 8.79 0.00 0.12 0.54 0.00 -1.26 -4.37 120.64 124.46 1xcg n GLU 32 Ca 0.33 0.35 -0.02 0.00 0.00 0.00 0.00 57.16 57.83 1xcg n GLU 32 Cb 0.45 -1.09 0.06 0.00 0.00 0.00 0.00 31.44 30.86 1xcg n GLU 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1xcg h VAL 33 N 0.00 1.34 -2.77 6.31 -1.51 -2.05 -3.44 116.25 114.12 1xcg h VAL 33 Ca 0.00 -2.55 -0.15 0.00 -1.23 0.00 0.00 66.70 62.76 1xcg h VAL 33 Cb 0.00 2.44 -0.29 0.00 -2.13 0.00 0.00 31.29 31.31 1xcg h VAL 33 CO 0.00 0.69 -0.41 -0.47 -1.23 0.00 0.00 177.57 176.15 1xcg s TYR 34 N -3.13 -0.52 -0.42 5.19 5.04 -1.26 -5.13 117.35 117.12 1xcg s TYR 34 Ca 0.01 1.12 -0.22 0.00 -2.44 0.00 0.00 57.07 55.54 1xcg s TYR 34 Cb 0.10 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.59 1xcg s TYR 34 CO 0.77 -0.33 0.70 0.08 -1.34 0.00 0.00 175.55 175.42 1xcg s VAL 35 N 1.72 4.77 0.49 3.14 1.01 -1.26 -4.76 120.40 125.51 1xcg s VAL 35 Ca -0.06 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 1xcg s VAL 35 Cb -0.10 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1xcg s VAL 35 CO -0.11 -0.58 1.37 -2.84 0.00 0.00 0.00 175.10 172.94 1xcg s PRO 36 N 2.98 3.48 0.11 2.72 0.02 -1.26 -4.95 135.00 138.10 1xcg s PRO 36 Ca 0.26 2.27 0.11 0.00 0.02 0.00 0.00 61.00 63.66 1xcg s PRO 36 Cb -0.13 -2.48 -0.16 0.00 0.02 0.00 0.00 34.50 31.75 1xcg s PRO 36 CO 0.19 -0.93 1.13 1.15 -0.33 0.00 0.00 177.00 178.21 1xcg h THR 37 N 1.92 1.25 -3.58 0.99 2.02 -1.99 -3.46 112.91 110.07 1xcg h THR 37 Ca -0.51 -2.91 -0.66 0.00 0.77 0.00 0.00 66.41 63.10 1xcg h THR 37 Cb 1.28 2.60 -0.24 0.00 -1.74 0.00 0.00 68.15 70.04 1xcg h THR 37 CO 0.60 0.71 -0.64 -0.69 0.37 0.00 0.00 175.52 175.87 1xcg s VAL 38 N -2.75 4.07 -0.29 3.16 1.01 -1.26 -4.98 120.40 119.36 1xcg s VAL 38 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1xcg s VAL 38 Cb 0.09 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1xcg s VAL 38 CO 0.81 0.32 -0.03 0.12 0.00 0.00 0.00 175.10 176.31 1xcg s PHE 39 N 1.57 3.24 0.29 5.22 5.36 -1.26 -5.11 117.98 127.28 1xcg s PHE 39 Ca 0.06 -1.91 -0.28 0.00 -0.96 0.00 0.00 56.93 53.83 1xcg s PHE 39 Cb -0.15 -2.07 -0.09 0.00 -0.34 0.00 0.00 43.02 40.37 1xcg s PHE 39 CO 0.02 -0.81 0.98 -1.21 -1.46 0.00 0.00 175.22 172.75 1xcg s GLU 40 N 1.23 4.66 -0.19 10.12 2.02 -1.26 -4.64 118.70 130.65 1xcg s GLU 40 Ca -0.05 1.50 -0.17 0.00 0.02 0.00 0.00 54.97 56.27 1xcg s GLU 40 Cb -0.19 -3.04 -0.07 0.00 0.10 0.00 0.00 34.13 30.93 1xcg s GLU 40 CO -0.02 0.32 0.67 0.09 0.02 0.00 0.00 175.26 176.34 1xcg n ASN 41 N 0.98 0.38 -3.79 -0.19 5.03 -1.26 -4.91 115.26 111.51 1xcg n ASN 41 Ca 0.00 0.37 -0.13 0.00 0.87 0.00 0.00 54.58 55.69 1xcg n ASN 41 Cb 0.48 -0.33 -0.11 0.00 -1.02 0.00 0.00 39.78 38.80 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 1.54 -0.25 -0.41 3.10 5.04 -0.85 -4.96 117.35 120.57 1xcg s TYR 42 Ca 0.41 0.59 -0.15 0.00 -2.44 0.00 0.00 57.07 55.48 1xcg s TYR 42 Cb -0.56 0.09 0.02 0.00 0.35 0.00 0.00 41.96 41.86 1xcg s TYR 42 CO 0.28 -0.18 0.30 0.08 -1.34 0.00 0.00 175.55 174.70 1xcg s VAL 43 N -0.14 5.25 0.01 3.14 1.01 -1.26 0.11 120.40 128.52 1xcg s VAL 43 Ca -0.03 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1xcg s VAL 43 Cb -0.03 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1xcg s VAL 43 CO 0.01 -0.30 0.46 0.00 0.00 0.00 0.00 175.10 175.27 1xcg s ALA 44 N 1.71 3.65 -0.33 5.51 0.00 0.26 -4.87 121.76 127.68 1xcg s ALA 44 Ca 0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 1xcg s ALA 44 Cb -0.19 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 1xcg s ALA 44 CO 0.10 0.41 0.64 -0.51 0.00 0.00 0.00 175.76 176.41 1xcg s ASP 45 N -0.92 6.47 -0.02 0.00 1.01 -1.26 -0.54 116.67 121.40 1xcg s ASP 45 Ca 0.25 0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.83 1xcg s ASP 45 Cb -0.17 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1xcg s ASP 45 CO 0.15 -0.55 -0.07 -0.51 0.21 0.00 0.00 175.17 174.41 1xcg s ILE 46 N 2.68 0.59 -0.16 0.77 2.07 -0.68 -5.00 121.20 121.48 1xcg s ILE 46 Ca 0.25 -0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 1xcg s ILE 46 Cb -0.15 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1xcg s ILE 46 CO 0.13 0.20 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.60 1xcg s GLU 47 N 0.26 3.55 0.00 3.50 2.12 -1.26 -1.26 118.70 125.62 1xcg s GLU 47 Ca -0.03 -0.58 -0.01 0.00 0.36 0.00 0.00 54.97 54.71 1xcg s GLU 47 Cb -0.08 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1xcg s GLU 47 CO 0.00 0.16 0.01 0.14 -0.54 0.00 0.00 175.26 175.03 1xcg s VAL 48 N 0.56 0.05 -1.15 3.70 -7.23 -0.85 -4.90 120.40 110.58 1xcg s VAL 48 Ca -0.04 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1xcg s VAL 48 Cb -0.15 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.63 1xcg s VAL 48 CO 0.03 -0.23 0.00 0.47 -0.31 0.00 0.00 175.10 175.06 1xcg n ASP 49 N 2.35 -3.58 -0.19 4.85 8.00 -1.26 0.93 116.55 127.65 1xcg n ASP 49 Ca -0.18 0.24 -0.02 0.00 0.71 0.00 0.00 54.79 55.54 1xcg n ASP 49 Cb 0.58 -3.18 -0.01 0.00 -0.02 0.00 0.00 41.12 38.48 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 -0.55 0.58 3.28 0.44 0.00 -1.26 -5.09 105.19 102.58 1xcg n GLY 50 Ca -0.13 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.75 3.26 0.00 1.61 1.02 0.27 -5.10 119.74 119.06 1xcg s LYS 51 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1xcg s LYS 51 Cb 0.00 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1xcg s LYS 51 CO 0.00 -0.05 1.14 -0.65 -0.92 0.00 0.00 175.35 174.87 1xcg s GLN 52 N 1.01 4.43 -0.06 1.68 -1.52 -1.26 -2.02 119.66 121.92 1xcg s GLN 52 Ca -0.01 1.65 0.02 0.00 -1.95 0.00 0.00 55.36 55.06 1xcg s GLN 52 Cb -0.15 -3.45 0.01 0.00 -0.22 0.00 0.00 33.01 29.21 1xcg s GLN 52 CO -0.02 -0.27 -0.12 0.08 -0.25 0.00 0.00 175.29 174.71 1xcg s VAL 53 N 1.45 1.10 -0.53 1.09 1.01 -0.39 -4.28 120.40 119.86 1xcg s VAL 53 Ca 0.56 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 1xcg s VAL 53 Cb -0.26 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.15 1xcg s VAL 53 CO 0.26 0.35 0.99 -1.61 0.00 0.00 0.00 175.10 175.09 1xcg s GLU 54 N 0.68 3.42 -0.36 2.72 2.02 0.12 -1.68 118.70 125.62 1xcg s GLU 54 Ca -0.14 -0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 1xcg s GLU 54 Cb -0.16 -4.01 0.01 0.00 0.10 0.00 0.00 34.13 30.07 1xcg s GLU 54 CO 0.03 -1.46 0.21 -1.17 0.02 0.00 0.00 175.26 172.89 1xcg s LEU 55 N 4.12 4.59 -0.24 1.80 0.20 0.30 -0.29 118.68 129.16 1xcg s LEU 55 Ca 0.35 -0.78 -0.24 0.00 0.69 0.00 0.00 54.13 54.15 1xcg s LEU 55 Cb -0.11 -2.06 -0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1xcg s LEU 55 CO 0.22 -0.33 0.79 0.00 -0.29 0.00 0.00 176.35 176.75 1xcg s ALA 56 N 1.61 3.63 -0.26 5.97 0.00 0.49 0.89 121.76 134.10 1xcg s ALA 56 Ca 0.04 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 1xcg s ALA 56 Cb -0.18 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1xcg s ALA 56 CO 0.08 -0.88 0.22 -0.51 0.00 0.00 0.00 175.76 174.66 1xcg s LEU 57 N 2.73 4.07 -0.20 0.00 1.43 0.30 -0.24 118.68 126.76 1xcg s LEU 57 Ca 0.34 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1xcg s LEU 57 Cb -0.15 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1xcg s LEU 57 CO 0.08 -0.02 -0.12 0.26 0.23 0.00 0.00 176.35 176.77 1xcg s TRP 58 N 1.46 2.88 0.34 0.29 0.52 -0.41 -2.00 118.94 122.02 1xcg s TRP 58 Ca 0.09 -1.38 -0.11 0.00 0.02 0.00 0.00 56.10 54.72 1xcg s TRP 58 Cb -0.15 -2.00 -0.07 0.00 -1.15 0.00 0.00 33.47 30.09 1xcg s TRP 58 CO 0.08 -0.70 0.71 0.34 0.02 0.00 0.00 176.95 177.39 1xcg s ASP 59 N 1.36 6.62 -0.00 2.95 2.15 -1.26 -2.02 116.67 126.47 1xcg s ASP 59 Ca 0.05 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1xcg s ASP 59 Cb -0.14 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1xcg s ASP 59 CO -0.08 -0.27 0.84 0.35 -0.17 0.00 0.00 175.17 175.84 1xcg n THR 60 N -0.77 0.67 -1.68 1.71 -2.24 -1.26 -4.95 114.28 105.77 1xcg n THR 60 Ca 0.02 -0.68 -0.46 0.00 -2.27 0.00 0.00 64.05 60.66 1xcg n THR 60 Cb 0.53 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1xcg n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcg n ALA 61 N -0.35 1.31 0.00 6.98 0.00 -1.26 -1.25 120.51 125.94 1xcg n ALA 61 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1xcg n ALA 61 Cb 0.35 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1xcg n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcg n GLY 62 N 4.26 1.16 1.09 0.00 0.00 -1.26 -4.94 105.19 105.49 1xcg n GLY 62 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.18 2.44 0.17 1.61 6.02 -0.38 -4.60 117.38 121.46 1xcg n GLN 63 Ca 0.00 -2.24 0.02 0.00 -0.01 0.00 0.00 57.00 54.77 1xcg n GLN 63 Cb 0.00 -1.48 0.32 0.00 1.02 0.00 0.00 30.24 30.10 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 4.11 0.00 -0.00 -1.09 3.07 -1.93 -2.88 114.58 115.86 1xcg h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xcg h GLU 64 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1xcg h GLU 64 CO 0.00 0.43 -0.64 -0.25 -1.40 0.00 0.00 179.01 177.15 1xcg n ASP 65 N -4.00 0.98 -4.16 1.42 10.43 -1.26 -4.78 116.55 115.19 1xcg n ASP 65 Ca -0.02 -0.80 -0.39 0.00 2.57 0.00 0.00 54.79 56.15 1xcg n ASP 65 Cb 0.46 0.54 -0.07 0.00 1.84 0.00 0.00 41.12 43.89 1xcg n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1xcg s TYR 66 N -2.85 3.56 0.49 1.24 2.02 -1.09 -4.93 117.35 115.79 1xcg s TYR 66 Ca 0.13 -2.58 0.41 0.00 -0.37 0.00 0.00 57.07 54.65 1xcg s TYR 66 Cb 0.17 -3.37 2.17 0.00 -0.40 0.00 0.00 41.96 40.53 1xcg s TYR 66 CO 0.72 -0.87 2.24 -0.44 -1.57 0.00 0.00 175.55 175.63 1xcg h ASP 67 N 7.07 0.00 -0.01 2.29 3.32 -1.86 -2.00 116.42 125.23 1xcg h ASP 67 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xcg h ASP 67 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1xcg h ASP 67 CO 0.74 0.00 -0.18 0.54 -1.72 0.00 0.00 179.24 178.62 1xcg n ARG 68 N -2.96 2.06 0.01 3.56 5.12 -1.26 -4.36 116.66 118.82 1xcg n ARG 68 Ca -0.02 -0.60 -0.10 0.00 -1.93 0.00 0.00 57.85 55.20 1xcg n ARG 68 Cb 0.09 -1.06 -0.14 0.00 -1.16 0.00 0.00 32.46 30.19 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 1.07 0.06 -0.18 0.55 3.38 -1.74 -3.40 115.31 115.04 1xcg h LEU 69 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xcg h LEU 69 Cb 0.32 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xcg h LEU 69 CO 0.00 1.09 0.11 0.03 0.09 0.00 0.00 178.44 179.75 1xcg h ARG 70 N 0.01 0.21 -0.07 1.13 3.08 -1.66 -2.87 114.38 114.22 1xcg h ARG 70 Ca -0.23 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1xcg h ARG 70 Cb 1.96 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.96 1xcg h ARG 70 CO 0.10 0.14 0.10 -1.35 -1.07 0.00 0.00 179.97 177.89 1xcg h PRO 71 N 0.22 0.00 -0.20 0.04 0.11 -1.78 -1.35 132.00 129.04 1xcg h PRO 71 Ca 0.07 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.24 1xcg h PRO 71 Cb -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1xcg h PRO 71 CO -0.03 0.00 0.21 -0.07 -0.21 0.00 0.00 178.00 177.91 1xcg h LEU 72 N 0.00 0.00 0.00 2.35 3.38 -1.74 -0.91 115.31 118.39 1xcg h LEU 72 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xcg h LEU 72 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xcg h LEU 72 CO -0.00 0.00 -0.38 -1.20 0.09 0.00 0.00 178.44 176.95 1xcg n SER 73 N -3.85 0.54 0.10 -0.43 7.64 -0.51 -4.45 113.62 112.67 1xcg n SER 73 Ca 0.02 0.16 -0.15 0.00 1.01 0.00 0.00 58.87 59.91 1xcg n SER 73 Cb 0.34 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1xcg n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1xcg h TYR 74 N 0.00 0.46 -3.82 1.43 0.05 -1.30 -3.46 116.97 110.33 1xcg h TYR 74 Ca 0.00 -0.33 -0.55 0.00 0.05 0.00 0.00 58.73 57.90 1xcg h TYR 74 Cb 0.64 -0.02 0.11 0.00 1.01 0.00 0.00 36.73 38.46 1xcg h TYR 74 CO 0.00 1.24 0.73 -2.30 -1.05 0.00 0.00 178.16 176.78 1xcg n PRO 75 N -3.54 2.58 -1.19 4.88 -0.02 -1.26 -2.94 135.00 133.51 1xcg n PRO 75 Ca -0.08 0.91 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 1xcg n PRO 75 Cb 1.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1xcg n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xcg n ASP 76 N 0.49 -4.35 -4.76 2.55 8.00 -1.26 -4.99 116.55 112.23 1xcg n ASP 76 Ca 0.02 0.16 -0.41 0.00 0.71 0.00 0.00 54.79 55.28 1xcg n ASP 76 Cb 0.38 -2.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.02 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 -2.06 3.13 -0.11 -3.53 2.01 -1.15 -4.66 115.64 109.28 1xcg s THR 77 Ca 0.00 1.12 0.18 0.00 0.31 0.00 0.00 61.69 63.30 1xcg s THR 77 Cb 0.00 -3.71 -0.27 0.00 0.01 0.00 0.00 72.50 68.53 1xcg s THR 77 CO 0.00 0.26 0.25 0.47 -0.69 0.00 0.00 174.62 174.91 1xcg n ASP 78 N 1.17 0.40 -3.63 3.53 8.00 0.11 -4.95 116.55 121.18 1xcg n ASP 78 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1xcg n ASP 78 Cb 0.43 1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 42.91 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 -2.93 0.00 -0.21 2.53 0.11 -0.79 -4.29 120.40 114.82 1xcg s VAL 79 Ca -0.08 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1xcg s VAL 79 Cb 0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1xcg s VAL 79 CO 0.80 0.00 0.05 -0.63 -3.33 0.00 0.00 175.10 171.99 1xcg s ILE 80 N 0.77 4.41 -0.73 7.04 -1.09 -0.75 -2.20 121.20 128.66 1xcg s ILE 80 Ca -0.03 -0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.05 1xcg s ILE 80 Cb -0.05 -3.02 0.12 0.00 -1.58 0.00 0.00 42.46 37.93 1xcg s ILE 80 CO -0.06 0.40 0.89 -0.76 -1.23 0.00 0.00 174.94 174.18 1xcg s LEU 81 N 0.99 5.23 -0.42 2.97 1.43 -0.78 -0.98 118.68 127.13 1xcg s LEU 81 Ca 0.03 -1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 51.21 1xcg s LEU 81 Cb -0.14 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.76 1xcg s LEU 81 CO 0.03 -1.11 0.98 -0.32 0.23 0.00 0.00 176.35 176.15 1xcg s MET 82 N 2.70 3.73 0.04 1.70 1.75 -0.36 -0.86 119.30 128.00 1xcg s MET 82 Ca 0.21 0.47 -0.00 0.00 -1.25 0.00 0.00 55.69 55.12 1xcg s MET 82 Cb -0.15 -3.86 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 1xcg s MET 82 CO 0.01 -1.12 0.17 0.00 -0.65 0.00 0.00 175.02 173.43 1xcg s PHE 84 N -1.41 1.64 -0.17 0.00 -0.71 -0.55 -4.29 117.98 112.49 1xcg s PHE 84 Ca 0.31 -1.26 -0.00 0.00 -1.04 0.00 0.00 56.93 54.94 1xcg s PHE 84 Cb -0.13 -0.95 -0.00 0.00 -1.21 0.00 0.00 43.02 40.73 1xcg s PHE 84 CO 0.23 -0.38 -0.14 0.45 -1.34 0.00 0.00 175.22 174.04 1xcg s SER 85 N -3.39 3.70 0.52 1.98 0.15 -1.26 -1.27 113.70 114.13 1xcg s SER 85 Ca 0.35 -0.47 0.24 0.00 0.70 0.00 0.00 55.95 56.76 1xcg s SER 85 Cb 0.06 -1.58 1.35 0.00 -1.71 0.00 0.00 66.02 64.14 1xcg s SER 85 CO 0.16 0.06 2.01 0.40 1.20 0.00 0.00 173.24 177.07 1xcg h ILE 86 N 5.69 0.77 0.00 6.45 2.04 -1.46 0.29 117.51 131.28 1xcg h ILE 86 Ca -0.35 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xcg h ILE 86 Cb 1.18 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1xcg h ILE 86 CO 0.58 0.01 0.00 -0.90 0.00 0.00 0.00 178.15 177.84 1xcg n ASP 87 N -4.40 0.08 -3.28 1.72 5.75 -1.26 -0.95 116.55 114.21 1xcg n ASP 87 Ca 0.09 -1.96 -0.19 0.00 -0.01 0.00 0.00 54.79 52.72 1xcg n ASP 87 Cb 0.55 -0.04 -0.07 0.00 -1.03 0.00 0.00 41.12 40.53 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 -0.94 0.95 0.32 -1.12 0.15 0.10 -4.92 113.70 108.25 1xcg s SER 88 Ca 0.00 -2.21 0.18 0.00 0.70 0.00 0.00 55.95 54.62 1xcg s SER 88 Cb 0.00 0.35 0.97 0.00 -1.71 0.00 0.00 66.02 65.63 1xcg s SER 88 CO 0.00 -0.19 1.50 -0.81 1.20 0.00 0.00 173.24 174.94 1xcg n PRO 89 N 3.49 0.12 0.18 5.44 -0.04 -1.26 0.02 135.00 142.95 1xcg n PRO 89 Ca 0.19 0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 64.12 1xcg n PRO 89 Cb 0.47 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.84 1xcg n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xcg h ASP 90 N 0.00 -0.36 -0.90 3.54 5.19 -1.93 -2.35 116.42 119.60 1xcg h ASP 90 Ca 0.00 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 56.60 1xcg h ASP 90 Cb 0.27 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.80 1xcg h ASP 90 CO 0.00 -0.25 0.58 0.77 -3.12 0.00 0.00 179.24 177.23 1xcg h SER 91 N -0.40 0.57 -0.23 6.45 4.64 -0.71 -1.90 113.55 121.96 1xcg h SER 91 Ca -0.04 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1xcg h SER 91 Cb 0.32 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xcg h SER 91 CO 0.06 0.26 -0.47 0.25 -0.87 0.00 0.00 176.83 176.05 1xcg h LEU 92 N 0.59 0.82 -1.74 5.97 5.85 -1.45 -2.94 115.31 122.41 1xcg h LEU 92 Ca 0.47 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1xcg h LEU 92 Cb 0.91 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xcg h LEU 92 CO -0.21 1.22 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.87 1xcg h GLU 93 N 0.46 0.00 0.00 1.25 4.57 -0.82 -1.61 114.58 118.43 1xcg h GLU 93 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xcg h GLU 93 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1xcg h GLU 93 CO 0.11 0.15 0.00 -0.91 -1.18 0.00 0.00 179.01 177.17 1xcg h ASN 94 N 0.00 0.00 0.80 1.04 4.21 -1.21 -2.88 115.58 117.54 1xcg h ASN 94 Ca -0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1xcg h ASN 94 Cb 0.27 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1xcg h ASN 94 CO 0.02 0.00 -0.38 0.40 -1.29 0.00 0.00 177.43 176.18 1xcg h ILE 95 N 0.00 0.00 0.00 2.81 5.03 -1.21 0.19 117.51 124.33 1xcg h ILE 95 Ca 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.68 1xcg h ILE 95 Cb 0.46 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 1xcg h ILE 95 CO 0.00 0.00 -0.27 1.55 -0.68 0.00 0.00 178.15 178.75 1xcg h PRO 96 N -1.07 0.00 0.14 2.37 0.13 -1.71 -0.92 132.00 130.94 1xcg h PRO 96 Ca -0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.72 1xcg h PRO 96 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1xcg h PRO 96 CO 0.18 0.27 -1.49 1.49 -0.23 0.00 0.00 178.00 178.22 1xcg h GLU 97 N 0.00 0.30 0.00 0.86 4.57 -1.42 -3.40 114.58 115.50 1xcg h GLU 97 Ca -0.00 -0.52 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 1xcg h GLU 97 Cb 0.48 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1xcg h GLU 97 CO 0.03 1.25 -0.83 1.17 -1.18 0.00 0.00 179.01 179.45 1xcg n LYS 98 N -3.82 0.28 0.14 1.92 4.81 0.60 -4.84 118.16 117.24 1xcg n LYS 98 Ca -0.24 0.11 0.02 0.00 -0.87 0.00 0.00 58.31 57.33 1xcg n LYS 98 Cb 0.96 -0.98 0.13 0.00 0.02 0.00 0.00 35.03 35.16 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 -0.51 0.00 0.13 5.64 4.06 -1.14 -3.17 115.95 120.97 1xcg h TRP 99 Ca -0.09 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.57 1xcg h TRP 99 Cb 0.71 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.87 1xcg h TRP 99 CO -0.17 0.55 -1.46 1.79 -3.56 0.00 0.00 178.44 175.59 1xcg h THR 100 N 0.00 1.03 -0.93 1.49 1.35 -1.41 -1.85 112.91 112.59 1xcg h THR 100 Ca -0.01 -2.42 0.14 0.00 -0.55 0.00 0.00 66.41 63.57 1xcg h THR 100 Cb 1.25 2.74 -0.08 0.00 -1.73 0.00 0.00 68.15 70.33 1xcg h THR 100 CO 0.07 0.73 0.59 1.55 -0.25 0.00 0.00 175.52 178.22 1xcg h PRO 101 N -0.23 0.75 -0.21 4.72 0.13 -1.78 0.39 132.00 135.78 1xcg h PRO 101 Ca -0.31 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 1xcg h PRO 101 Cb 1.82 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.78 1xcg h PRO 101 CO 0.08 0.50 -0.27 1.49 -0.23 0.00 0.00 178.00 179.57 1xcg h GLU 102 N 0.77 0.55 -0.24 0.86 4.81 -1.61 -1.18 114.58 118.55 1xcg h GLU 102 Ca 0.47 -0.32 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1xcg h GLU 102 Cb 0.67 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1xcg h GLU 102 CO -0.23 0.91 -0.45 0.28 -0.73 0.00 0.00 179.01 178.79 1xcg h VAL 103 N 0.23 1.30 0.00 0.32 2.07 -0.79 -1.75 116.25 117.63 1xcg h VAL 103 Ca 0.03 -1.65 -0.10 0.00 0.82 0.00 0.00 66.70 65.79 1xcg h VAL 103 Cb 0.84 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1xcg h VAL 103 CO 0.06 0.52 -0.49 0.11 0.02 0.00 0.00 177.57 177.79 1xcg h LYS 104 N 0.48 0.00 -0.01 1.57 1.57 -0.22 0.51 116.57 120.48 1xcg h LYS 104 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1xcg h LYS 104 Cb 0.98 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.30 1xcg h LYS 104 CO 0.09 0.49 -0.57 1.25 -0.57 0.00 0.00 179.45 180.14 1xcg h HIS 105 N 0.00 0.59 0.00 -1.35 2.76 -0.96 -3.20 115.15 112.99 1xcg h HIS 105 Ca -0.00 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1xcg h HIS 105 Cb 0.93 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1xcg h HIS 105 CO 0.00 1.13 -1.04 1.19 -1.30 0.00 0.00 177.93 177.91 1xcg n PHE 106 N -4.24 0.42 -3.19 5.26 3.72 -0.68 -4.39 117.46 114.36 1xcg n PHE 106 Ca -0.10 0.12 -0.23 0.00 -0.05 0.00 0.00 57.45 57.19 1xcg n PHE 106 Cb 0.66 -0.57 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1xcg n PHE 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xcg n PRO 108 N 0.69 2.26 -1.30 0.00 -0.04 -1.21 -2.29 135.00 133.11 1xcg n PRO 108 Ca 0.26 0.79 -0.10 0.00 -0.04 0.00 0.00 63.50 64.40 1xcg n PRO 108 Cb 0.52 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 1xcg n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xcg n ASN 109 N 0.78 -5.65 -4.68 3.54 3.02 -1.26 -4.98 115.26 106.04 1xcg n ASN 109 Ca 0.04 0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.46 1xcg n ASN 109 Cb 0.36 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 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 -1.92 5.09 0.37 2.41 1.01 -0.97 -5.02 120.40 121.37 1xcg s VAL 110 Ca 0.00 1.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.78 1xcg s VAL 110 Cb 0.00 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 1xcg s VAL 110 CO 0.00 0.19 1.24 -0.81 0.00 0.00 0.00 175.10 175.72 1xcg n PRO 111 N 4.61 1.96 -5.03 2.72 -0.04 -1.26 -4.79 135.00 133.15 1xcg n PRO 111 Ca -0.04 0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 63.79 1xcg n PRO 111 Cb 0.50 -2.29 -0.16 0.00 -0.04 0.00 0.00 33.50 31.52 1xcg n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xcg s ILE 112 N -1.14 2.49 -0.12 0.52 1.01 -1.26 -1.80 121.20 120.90 1xcg s ILE 112 Ca 0.58 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1xcg s ILE 112 Cb -0.56 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1xcg s ILE 112 CO 0.60 0.55 -0.01 0.27 0.00 0.00 0.00 174.94 176.35 1xcg s ILE 113 N 0.31 4.17 -0.27 2.92 -4.36 -0.16 0.45 121.20 124.25 1xcg s ILE 113 Ca -0.15 -0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 59.80 1xcg s ILE 113 Cb -0.17 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 1xcg s ILE 113 CO 0.07 0.55 0.43 -0.22 0.24 0.00 0.00 174.94 176.01 1xcg s LEU 114 N -0.30 4.06 -0.17 0.37 2.96 -0.83 -1.22 118.68 123.54 1xcg s LEU 114 Ca 0.06 0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1xcg s LEU 114 Cb -0.12 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1xcg s LEU 114 CO 0.02 -0.23 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.00 1xcg s VAL 115 N 2.16 2.81 -0.47 1.68 1.01 -0.04 -0.86 120.40 126.69 1xcg s VAL 115 Ca 0.17 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1xcg s VAL 115 Cb -0.16 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1xcg s VAL 115 CO 0.10 0.50 0.64 -0.83 0.00 0.00 0.00 175.10 175.51 1xcg s GLY 116 N 1.00 1.72 0.80 4.51 0.00 -0.50 -1.48 107.32 113.37 1xcg s GLY 116 Ca -0.02 -1.42 -0.08 0.00 0.00 0.00 0.00 44.72 43.21 1xcg s GLY 116 CO -0.02 1.52 1.12 0.21 0.00 0.00 0.00 173.10 175.93 1xcg s ASN 117 N 2.29 4.04 -1.42 1.64 2.47 -0.40 -1.71 114.94 121.85 1xcg s ASN 117 Ca 0.20 0.10 -0.07 0.00 0.42 0.00 0.00 52.86 53.51 1xcg s ASN 117 Cb -0.16 -0.44 0.04 0.00 -1.45 0.00 0.00 41.25 39.24 1xcg s ASN 117 CO 0.16 -2.10 0.83 0.29 -3.72 0.00 0.00 177.10 172.56 1xcg n LYS 118 N -3.19 -5.19 0.27 0.43 5.02 -1.04 -1.40 118.16 113.05 1xcg n LYS 118 Ca 0.13 0.60 0.15 0.00 -2.02 0.00 0.00 58.31 57.18 1xcg n LYS 118 Cb 0.60 -5.31 0.75 0.00 -0.02 0.00 0.00 35.03 31.05 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 -1.99 0.00 -0.20 1.97 2.10 -1.44 -2.41 116.57 114.60 1xcg h LYS 119 Ca -0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.05 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 0.62 0.09 0.00 -0.40 -2.00 0.00 0.00 179.45 177.75 1xcg n ASP 120 N -3.37 0.20 -0.10 7.07 5.75 -1.26 -2.25 116.55 122.60 1xcg n ASP 120 Ca -0.01 -1.05 0.02 0.00 -0.01 0.00 0.00 54.79 53.74 1xcg n ASP 120 Cb 0.26 -0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.21 1.16 0.14 -2.12 4.32 -0.91 -4.45 117.00 114.92 1xcg n LEU 121 Ca 0.00 -1.49 0.01 0.00 -0.02 0.00 0.00 56.01 54.51 1xcg n LEU 121 Cb 0.05 -0.09 0.14 0.00 -1.62 0.00 0.00 43.42 41.90 1xcg n LEU 121 CO 0.00 0.36 0.49 -0.09 -1.22 0.00 0.00 177.39 176.93 1xcg h ARG 122 N 0.00 0.00 0.00 3.23 2.43 -1.64 -3.34 114.38 115.07 1xcg h ARG 122 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xcg h ARG 122 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1xcg h ARG 122 CO 0.00 0.58 0.00 0.09 -1.51 0.00 0.00 179.97 179.13 1xcg n ASN 123 N -3.47 1.80 -4.71 -3.80 3.02 -1.26 -4.86 115.26 101.98 1xcg n ASN 123 Ca 0.00 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 1xcg n ASN 123 Cb 0.67 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.86 6.73 -0.01 6.41 2.15 -1.25 -4.94 116.67 124.89 1xcg s ASP 124 Ca 0.00 2.39 -0.23 0.00 0.43 0.00 0.00 52.55 55.14 1xcg s ASP 124 Cb 0.00 -2.58 -0.20 0.00 -0.30 0.00 0.00 42.92 39.84 1xcg s ASP 124 CO 0.00 -0.75 1.19 -0.08 -0.17 0.00 0.00 175.17 175.35 1xcg h GLU 125 N 7.29 0.21 -0.61 4.34 4.81 -1.94 -1.68 114.58 127.00 1xcg h GLU 125 Ca -0.42 -0.15 0.12 0.00 -0.13 0.00 0.00 59.36 58.78 1xcg h GLU 125 Cb 1.20 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 1xcg h GLU 125 CO 0.90 0.78 0.09 1.25 -0.73 0.00 0.00 179.01 181.29 1xcg h HIS 126 N -0.32 0.12 0.30 0.92 2.76 -2.00 -1.92 115.15 115.01 1xcg h HIS 126 Ca -0.01 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1xcg h HIS 126 Cb 0.79 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.79 1xcg h HIS 126 CO 0.13 -0.08 -0.18 1.15 -1.30 0.00 0.00 177.93 177.64 1xcg h THR 127 N 0.20 0.62 -0.83 6.26 2.02 -1.90 -3.06 112.91 116.22 1xcg h THR 127 Ca 0.32 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.66 1xcg h THR 127 Cb 0.51 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 1xcg h THR 127 CO -0.45 0.00 0.39 -0.09 0.37 0.00 0.00 175.52 175.73 1xcg h ARG 128 N -0.46 0.51 0.24 6.66 2.43 -0.70 -2.39 114.38 120.67 1xcg h ARG 128 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xcg h ARG 128 Cb 0.38 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1xcg h ARG 128 CO 0.03 0.33 -0.11 0.00 -1.51 0.00 0.00 179.97 178.71 1xcg h ARG 129 N 0.52 -0.31 -0.90 0.20 3.08 -1.36 -2.25 114.38 113.37 1xcg h ARG 129 Ca 0.47 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.73 1xcg h ARG 129 Cb 0.73 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.74 1xcg h ARG 129 CO -0.41 -0.12 0.46 0.93 -1.07 0.00 0.00 179.97 179.76 1xcg h GLU 130 N -0.43 0.54 0.03 0.04 4.39 -1.33 -2.05 114.58 115.78 1xcg h GLU 130 Ca -0.03 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.40 1xcg h GLU 130 Cb 0.33 -0.12 0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1xcg h GLU 130 CO 0.05 0.36 -0.92 -0.07 -1.16 0.00 0.00 179.01 177.27 1xcg h LEU 131 N 0.56 0.76 -2.13 1.33 -0.00 -1.48 -3.07 115.31 111.27 1xcg h LEU 131 Ca 0.53 -0.77 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1xcg h LEU 131 Cb 0.88 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1xcg h LEU 131 CO -0.43 1.44 0.14 0.00 -0.00 0.00 0.00 178.44 179.59 1xcg h ALA 132 N 0.33 1.13 0.84 1.53 0.00 -0.76 0.13 119.26 122.45 1xcg h ALA 132 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xcg h ALA 132 Cb 1.61 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1xcg h ALA 132 CO 0.18 -0.13 -0.40 -0.22 0.00 0.00 0.00 179.25 178.68 1xcg h LYS 133 N 0.00 -1.08 -0.98 0.00 3.11 -1.33 -3.23 116.57 113.06 1xcg h LYS 133 Ca 0.00 0.07 -0.15 0.00 -2.81 0.00 0.00 60.65 57.76 1xcg h LYS 133 Cb 0.29 0.25 -0.09 0.00 -1.00 0.00 0.00 32.23 31.67 1xcg h LYS 133 CO 0.00 -0.71 0.20 -1.33 -2.81 0.00 0.00 179.45 174.79 1xcg n MET 134 N -5.55 1.54 -3.90 1.90 2.81 0.21 -4.83 117.12 109.31 1xcg n MET 134 Ca -0.15 -1.04 -0.29 0.00 -1.81 0.00 0.00 57.70 54.42 1xcg n MET 134 Cb 0.45 -1.45 0.02 0.00 -0.71 0.00 0.00 33.22 31.53 1xcg n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1xcg n LYS 135 N -0.03 -5.23 -4.60 0.03 4.76 -1.03 -5.00 118.16 107.06 1xcg n LYS 135 Ca 0.19 0.58 -0.27 0.00 -2.87 0.00 0.00 58.31 55.94 1xcg n LYS 135 Cb 0.86 -5.39 -0.10 0.00 -1.84 0.00 0.00 35.03 28.57 1xcg n LYS 135 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1xcg s GLN 136 N -6.54 1.94 0.02 1.97 -0.21 0.08 -4.97 119.66 111.95 1xcg s GLN 136 Ca 0.54 -2.14 -0.27 0.00 0.02 0.00 0.00 55.36 53.51 1xcg s GLN 136 Cb -0.27 -1.31 0.06 0.00 1.00 0.00 0.00 33.01 32.49 1xcg s GLN 136 CO 0.84 -0.21 0.62 -1.83 -2.12 0.00 0.00 175.29 172.59 1xcg s GLU 137 N -3.79 1.10 0.14 2.91 -1.05 -1.26 -2.39 118.70 114.35 1xcg s GLU 137 Ca 0.27 -0.03 -0.33 0.00 -0.15 0.00 0.00 54.97 54.73 1xcg s GLU 137 Cb 0.07 0.51 -0.17 0.00 -0.44 0.00 0.00 34.13 34.10 1xcg s GLU 137 CO 0.13 -0.39 1.04 -2.30 0.95 0.00 0.00 175.26 174.69 1xcg n PRO 138 N 0.50 0.74 -1.73 -4.83 -0.02 -1.26 -4.68 135.00 123.72 1xcg n PRO 138 Ca -0.18 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1xcg n PRO 138 Cb 0.60 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1xcg n PRO 138 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xcg n VAL 139 N 1.23 0.44 -3.03 -1.45 0.31 -0.12 -4.98 118.33 110.72 1xcg n VAL 139 Ca 0.16 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 64.06 1xcg n VAL 139 Cb 0.21 -1.96 -0.06 0.00 -0.91 0.00 0.00 33.84 31.12 1xcg n VAL 139 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xcg s LYS 140 N 0.44 4.09 0.27 5.55 1.02 -1.26 -4.95 119.74 124.91 1xcg s LYS 140 Ca 0.70 0.83 -0.00 0.00 0.02 0.00 0.00 55.97 57.52 1xcg s LYS 140 Cb -0.51 -2.39 0.59 0.00 -0.52 0.00 0.00 37.83 35.01 1xcg s LYS 140 CO 0.39 0.11 1.71 -1.35 -0.92 0.00 0.00 175.35 175.30 1xcg h PRO 141 N 2.23 0.42 -0.13 -1.68 0.11 -2.00 0.29 132.00 131.23 1xcg h PRO 141 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1xcg h PRO 141 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1xcg h PRO 141 CO 0.64 0.28 -0.13 0.93 -0.21 0.00 0.00 178.00 179.51 1xcg h GLU 142 N 0.43 0.20 -0.27 1.05 3.07 -1.98 -0.93 114.58 116.15 1xcg h GLU 142 Ca 0.49 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.23 1xcg h GLU 142 Cb 0.83 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1xcg h GLU 142 CO -0.47 0.34 -0.12 0.93 -1.40 0.00 0.00 179.01 178.30 1xcg h GLU 143 N 0.19 0.55 -0.70 2.33 5.08 -1.33 0.24 114.58 120.95 1xcg h GLU 143 Ca 0.04 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1xcg h GLU 143 Cb 0.35 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1xcg h GLU 143 CO 0.02 0.79 0.20 0.78 -1.00 0.00 0.00 179.01 179.81 1xcg h GLY 144 N 0.29 1.19 1.10 -3.84 0.00 -1.13 -0.67 103.07 100.01 1xcg h GLY 144 Ca 0.06 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 1xcg h GLY 144 CO 0.04 0.67 -0.32 -0.09 0.00 0.00 0.00 176.54 176.84 1xcg h ARG 145 N 1.04 0.92 -0.51 4.80 2.43 -1.11 -0.97 114.38 120.99 1xcg h ARG 145 Ca 0.22 -0.46 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 1xcg h ARG 145 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1xcg h ARG 145 CO -0.00 1.11 0.21 -0.44 -1.51 0.00 0.00 179.97 179.35 1xcg h ASP 146 N 0.74 0.70 -0.89 -3.80 5.19 -0.38 -1.18 116.42 116.80 1xcg h ASP 146 Ca 0.07 -0.16 0.05 0.00 -0.62 0.00 0.00 57.03 56.37 1xcg h ASP 146 Cb 0.91 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 1xcg h ASP 146 CO 0.08 0.67 0.57 -0.03 -3.12 0.00 0.00 179.24 177.41 1xcg h MET 147 N 0.69 1.04 -0.80 3.56 4.05 -1.04 -1.54 114.93 120.88 1xcg h MET 147 Ca 0.17 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1xcg h MET 147 Cb 0.18 -0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 1xcg h MET 147 CO -0.02 0.69 0.53 0.00 0.23 0.00 0.00 176.91 178.34 1xcg h ALA 148 N 1.39 1.04 -0.50 0.39 0.00 -0.58 -1.14 119.26 119.85 1xcg h ALA 148 Ca 0.37 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1xcg h ALA 148 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xcg h ALA 148 CO -0.14 0.39 -0.17 -0.91 0.00 0.00 0.00 179.25 178.43 1xcg h ASN 149 N 1.05 1.01 -0.40 0.00 2.35 -0.83 -1.48 115.58 117.28 1xcg h ASN 149 Ca 0.31 -0.38 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1xcg h ASN 149 Cb -0.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 1xcg h ASN 149 CO -0.08 1.16 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.71 1xcg h ARG 150 N 0.85 0.82 -0.00 0.81 2.43 -0.82 -2.84 114.38 115.62 1xcg h ARG 150 Ca 0.12 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xcg h ARG 150 Cb 0.74 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1xcg h ARG 150 CO 0.06 0.86 -0.05 0.44 -1.51 0.00 0.00 179.97 179.76 1xcg n ILE 151 N -4.19 0.00 -3.01 1.20 -5.35 -0.47 -4.92 119.36 102.62 1xcg n ILE 151 Ca 0.02 -0.08 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 1xcg n ILE 151 Cb 0.33 -0.11 0.04 0.00 -1.74 0.00 0.00 39.64 38.16 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 1.18 0.12 3.77 3.28 0.00 -1.07 -5.00 105.19 107.47 1xcg n GLY 152 Ca 0.18 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.11 2.47 0.25 4.61 0.00 -0.58 -4.78 121.76 120.62 1xcg s ALA 153 Ca 0.29 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 1xcg s ALA 153 Cb -0.13 -3.32 0.31 0.00 0.00 0.00 0.00 23.12 19.98 1xcg s ALA 153 CO 0.36 -1.28 1.68 0.35 0.00 0.00 0.00 175.76 176.87 1xcg h PHE 154 N 0.01 0.71 -1.69 0.00 3.57 -0.34 -3.47 116.94 115.73 1xcg h PHE 154 Ca -0.47 -0.15 0.21 0.00 3.53 0.00 0.00 57.97 61.09 1xcg h PHE 154 Cb 1.25 -0.17 -0.18 0.00 2.79 0.00 0.00 35.95 39.63 1xcg h PHE 154 CO 0.55 0.80 0.72 0.20 -2.23 0.00 0.00 178.31 178.34 1xcg s GLY 155 N -3.92 -0.33 -0.05 2.40 0.00 -1.25 -5.05 107.32 99.13 1xcg s GLY 155 Ca -0.08 1.50 0.05 0.00 0.00 0.00 0.00 44.72 46.18 1xcg s GLY 155 CO 0.81 0.52 -0.17 -0.47 0.00 0.00 0.00 173.10 173.79 1xcg s TYR 156 N -2.51 2.61 0.02 1.90 5.04 -1.26 -1.96 117.35 121.18 1xcg s TYR 156 Ca 0.08 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.42 1xcg s TYR 156 Cb -0.01 -1.61 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 1xcg s TYR 156 CO -0.06 0.11 0.04 1.41 -1.34 0.00 0.00 175.55 175.71 1xcg s MET 157 N -0.65 0.42 0.02 4.97 -2.45 -0.04 -4.98 119.30 116.59 1xcg s MET 157 Ca 0.10 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.99 1xcg s MET 157 Cb -0.11 0.16 -0.02 0.00 1.25 0.00 0.00 34.83 36.12 1xcg s MET 157 CO 0.00 -0.09 -0.15 -1.21 1.05 0.00 0.00 175.02 174.63 1xcg s GLU 158 N -1.73 1.03 0.30 4.11 2.02 -1.26 -1.41 118.70 121.77 1xcg s GLU 158 Ca -0.13 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1xcg s GLU 158 Cb -0.07 -1.04 0.01 0.00 0.10 0.00 0.00 34.13 33.13 1xcg s GLU 158 CO -0.01 0.27 0.53 0.00 0.02 0.00 0.00 175.26 176.07 1xcg s SER 160 N -3.10 2.50 0.34 0.00 0.15 -0.30 -1.38 113.70 111.92 1xcg s SER 160 Ca 0.24 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.30 1xcg s SER 160 Cb -0.01 -0.51 0.60 0.00 -1.71 0.00 0.00 66.02 64.39 1xcg s SER 160 CO 0.13 -0.28 1.98 0.00 1.20 0.00 0.00 173.24 176.26 1xcg h ALA 161 N 8.29 1.49 -0.08 5.45 0.00 -1.91 0.17 119.26 132.66 1xcg h ALA 161 Ca -0.17 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xcg h ALA 161 Cb 1.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1xcg h ALA 161 CO 0.31 0.44 -0.15 -0.22 0.00 0.00 0.00 179.25 179.63 1xcg h LYS 162 N 0.83 -0.20 0.00 0.00 3.64 -1.96 -3.07 116.57 115.81 1xcg h LYS 162 Ca 0.22 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1xcg h LYS 162 Cb -0.02 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xcg h LYS 162 CO -0.04 -0.14 -0.80 0.25 -2.27 0.00 0.00 179.45 176.46 1xcg n THR 163 N -5.29 0.13 0.00 1.00 -2.24 -1.15 -4.88 114.28 101.85 1xcg n THR 163 Ca -0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1xcg n THR 163 Cb 0.21 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1xcg n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xcg n LYS 164 N -1.80 0.00 -1.61 -0.78 5.02 0.03 -4.98 118.16 114.04 1xcg n LYS 164 Ca 0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 1xcg n LYS 164 Cb 0.40 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 1xcg n LYS 164 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xcg n ASP 165 N 0.00 3.47 0.00 4.39 2.03 -1.16 -1.77 116.55 123.51 1xcg n ASP 165 Ca 0.00 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1xcg n ASP 165 Cb 0.00 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 1xcg n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xcg n GLY 166 N 5.35 0.37 0.24 0.27 0.00 -1.26 -1.15 105.19 109.01 1xcg n GLY 166 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 0.49 -0.73 1.61 2.07 -1.66 0.29 116.25 118.32 1xcg h VAL 167 Ca 0.00 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.10 1xcg h VAL 167 Cb 0.00 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 1xcg h VAL 167 CO 0.00 0.09 0.05 -0.09 0.02 0.00 0.00 177.57 177.64 1xcg h ARG 168 N -0.91 0.14 -0.32 1.57 2.43 -1.93 -1.99 114.38 113.36 1xcg h ARG 168 Ca -0.05 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1xcg h ARG 168 Cb 0.55 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1xcg h ARG 168 CO 0.09 0.09 -0.34 0.93 -1.51 0.00 0.00 179.97 179.23 1xcg h GLU 169 N 0.14 0.71 -0.63 0.20 3.07 -1.90 -0.95 114.58 115.23 1xcg h GLU 169 Ca 0.40 -0.34 0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1xcg h GLU 169 Cb 0.71 -0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.49 1xcg h GLU 169 CO -0.61 0.95 -0.16 0.28 -1.40 0.00 0.00 179.01 178.07 1xcg h VAL 170 N 0.60 0.37 0.12 3.13 2.07 -0.17 0.12 116.25 122.49 1xcg h VAL 170 Ca 0.06 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.30 1xcg h VAL 170 Cb 0.87 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1xcg h VAL 170 CO 0.08 0.00 -1.36 -0.26 0.02 0.00 0.00 177.57 176.05 1xcg h PHE 171 N -0.00 0.47 -0.35 1.57 -1.00 -1.22 -1.71 116.94 114.70 1xcg h PHE 171 Ca 0.30 -0.35 0.08 0.00 2.81 0.00 0.00 57.97 60.81 1xcg h PHE 171 Cb 0.46 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 39.93 1xcg h PHE 171 CO -0.52 1.32 -0.17 0.93 -1.61 0.00 0.00 178.31 178.26 1xcg h GLU 172 N 0.07 -0.10 -0.61 1.51 5.08 -1.04 0.22 114.58 119.71 1xcg h GLU 172 Ca -0.18 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1xcg h GLU 172 Cb 1.99 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.23 1xcg h GLU 172 CO 0.19 -0.07 0.29 1.98 -1.00 0.00 0.00 179.01 180.40 1xcg h MET 173 N -0.11 0.85 -0.40 2.33 4.05 -0.52 -1.80 114.93 119.35 1xcg h MET 173 Ca 0.18 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.35 1xcg h MET 173 Cb 0.38 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1xcg h MET 173 CO -0.42 0.66 -0.31 0.00 0.23 0.00 0.00 176.91 177.08 1xcg h ALA 174 N 1.47 0.70 -0.67 0.39 0.00 -0.45 -2.18 119.26 118.53 1xcg h ALA 174 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1xcg h ALA 174 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xcg h ALA 174 CO -0.03 0.67 0.21 1.15 0.00 0.00 0.00 179.25 181.25 1xcg h THR 175 N 0.74 1.25 -0.60 0.00 2.02 0.03 -0.91 112.91 115.45 1xcg h THR 175 Ca 0.08 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1xcg h THR 175 Cb 0.87 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1xcg h THR 175 CO 0.08 0.34 0.19 0.03 0.37 0.00 0.00 175.52 176.52 1xcg h ARG 176 N 0.98 0.93 -0.57 6.66 3.08 -1.18 -2.00 114.38 122.28 1xcg h ARG 176 Ca 0.22 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1xcg h ARG 176 Cb 0.30 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1xcg h ARG 176 CO -0.01 0.82 0.31 0.00 -1.07 0.00 0.00 179.97 180.03 1xcg h ALA 177 N 1.06 0.74 -0.22 0.04 0.00 -1.18 -1.69 119.26 118.01 1xcg h ALA 177 Ca 0.19 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1xcg h ALA 177 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xcg h ALA 177 CO -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.38 1xcg h ALA 178 N 1.29 1.97 0.00 0.00 0.00 -0.74 -2.70 119.26 119.09 1xcg h ALA 178 Ca 0.25 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1xcg h ALA 178 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xcg h ALA 178 CO -0.15 -0.01 -0.61 -0.07 0.00 0.00 0.00 179.25 178.41 1xcg h LEU 179 N 0.19 0.00 0.00 0.00 3.38 -0.60 -3.48 115.31 114.80 1xcg h LEU 179 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xcg h LEU 179 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xcg h LEU 179 CO -0.02 0.33 0.00 1.67 0.09 0.00 0.00 178.44 180.51