#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1reg s ILE 2 N 0.00 3.74 0.17 1.12 -1.09 0.55 -4.91 121.20 120.78 1reg s ILE 2 Ca 0.00 -0.39 -0.27 0.00 -2.23 0.00 0.00 60.65 57.76 1reg s ILE 2 Cb 0.00 -2.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.13 1reg s ILE 2 CO 0.00 0.45 0.85 -0.70 -1.23 0.00 0.00 174.94 174.30 1reg s GLU 3 N 0.91 4.67 0.09 2.79 2.12 -1.26 -0.69 118.70 127.34 1reg s GLU 3 Ca 0.00 1.28 0.04 0.00 0.36 0.00 0.00 54.97 56.65 1reg s GLU 3 Cb -0.14 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1reg s GLU 3 CO 0.01 0.49 -0.10 -1.50 -0.54 0.00 0.00 175.26 173.62 1reg s ILE 4 N -0.93 0.92 0.04 -3.70 1.10 -0.01 -1.31 121.20 117.32 1reg s ILE 4 Ca 0.39 -1.62 0.07 0.00 -0.51 0.00 0.00 60.65 58.97 1reg s ILE 4 Cb -0.24 -1.33 -0.03 0.00 0.15 0.00 0.00 42.46 41.00 1reg s ILE 4 CO 0.28 -0.56 -0.16 0.42 -2.11 0.00 0.00 174.94 172.82 1reg s THR 5 N -2.42 2.97 0.05 4.00 -4.23 -0.70 -3.99 115.64 111.33 1reg s THR 5 Ca 0.05 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 1reg s THR 5 Cb -0.03 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1reg s THR 5 CO -0.00 0.32 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.52 1reg s LEU 6 N -1.53 2.97 0.35 4.79 1.02 -1.26 -2.84 118.68 122.18 1reg s LEU 6 Ca 0.16 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.03 1reg s LEU 6 Cb -0.11 -1.75 0.63 0.00 0.02 0.00 0.00 46.19 44.99 1reg s LEU 6 CO 0.07 0.24 1.95 0.11 0.02 0.00 0.00 176.35 178.73 1reg h LYS 7 N 4.18 0.69 -2.55 1.70 6.56 -1.95 -3.45 116.57 121.75 1reg h LYS 7 Ca -0.48 -0.08 -0.05 0.00 -1.06 0.00 0.00 60.65 58.97 1reg h LYS 7 Cb 1.16 -0.13 -0.16 0.00 -0.57 0.00 0.00 32.23 32.53 1reg h LYS 7 CO 0.51 0.55 0.12 -1.59 -2.06 0.00 0.00 179.45 176.98 1reg s LYS 8 N -5.39 1.08 0.34 3.15 -2.85 -1.26 -5.07 119.74 109.75 1reg s LYS 8 Ca -0.09 -0.11 0.04 0.00 -1.00 0.00 0.00 55.97 54.82 1reg s LYS 8 Cb 0.17 0.50 0.68 0.00 -2.06 0.00 0.00 37.83 37.12 1reg s LYS 8 CO 0.76 -0.39 1.95 -1.35 0.10 0.00 0.00 175.35 176.42 1reg h PRO 9 N 2.74 0.81 0.00 1.78 0.11 -2.05 0.45 132.00 135.83 1reg h PRO 9 Ca -0.30 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1reg h PRO 9 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1reg h PRO 9 CO 0.40 0.54 0.00 -0.85 -0.21 0.00 0.00 178.00 177.87 1reg n GLU 10 N -4.48 0.46 0.08 1.05 0.00 -1.26 -1.10 120.64 115.39 1reg n GLU 10 Ca 0.11 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.43 1reg n GLU 10 Cb 0.21 -1.50 0.46 0.00 0.00 0.00 0.00 31.44 30.61 1reg n GLU 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1reg n ASP 11 N -1.06 0.57 0.21 -1.84 9.92 0.15 -3.94 116.55 120.56 1reg n ASP 11 Ca 0.12 0.57 -0.14 0.00 -0.53 0.00 0.00 54.79 54.80 1reg n ASP 11 Cb 0.07 -0.71 -0.08 0.00 -0.64 0.00 0.00 41.12 39.76 1reg n ASP 11 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1reg h PHE 12 N 0.00 -0.50 0.00 1.24 3.57 -1.31 -1.79 116.94 118.16 1reg h PHE 12 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1reg h PHE 12 Cb 0.62 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1reg h PHE 12 CO 0.00 -0.18 -0.18 1.25 -2.23 0.00 0.00 178.31 176.97 1reg h LEU 13 N -0.83 0.00 -0.57 0.59 5.85 -1.79 -0.41 115.31 118.16 1reg h LEU 13 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1reg h LEU 13 Cb 0.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1reg h LEU 13 CO 0.09 0.18 0.35 0.50 -0.34 0.00 0.00 178.44 179.22 1reg h LYS 14 N 0.00 0.77 -0.02 1.25 3.64 -1.63 -1.09 116.57 119.48 1reg h LYS 14 Ca -0.00 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.06 1reg h LYS 14 Cb 0.34 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1reg h LYS 14 CO 0.02 0.54 -0.98 0.28 -2.27 0.00 0.00 179.45 177.04 1reg h VAL 15 N 0.77 1.30 -0.60 2.00 2.07 -0.43 -1.15 116.25 120.20 1reg h VAL 15 Ca 0.20 -2.24 0.07 0.00 0.82 0.00 0.00 66.70 65.56 1reg h VAL 15 Cb -0.03 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1reg h VAL 15 CO -0.04 0.69 0.28 0.50 0.02 0.00 0.00 177.57 179.02 1reg h LYS 16 N 0.39 0.50 -0.16 1.57 1.63 -0.98 -0.41 116.57 119.12 1reg h LYS 16 Ca -0.11 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 1reg h LYS 16 Cb 1.63 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1reg h LYS 16 CO 0.19 0.33 -0.12 1.49 -3.45 0.00 0.00 179.45 177.90 1reg h GLU 17 N 0.52 0.37 -0.95 1.90 4.22 -1.11 -2.93 114.58 116.60 1reg h GLU 17 Ca 0.28 -0.18 0.14 0.00 0.08 0.00 0.00 59.36 59.69 1reg h GLU 17 Cb 0.26 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 1reg h GLU 17 CO -0.23 0.71 0.57 1.15 -2.18 0.00 0.00 179.01 179.03 1reg h THR 18 N 0.02 0.82 0.00 0.32 2.02 -0.05 -1.57 112.91 114.47 1reg h THR 18 Ca 0.03 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1reg h THR 18 Cb 0.62 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1reg h THR 18 CO 0.03 0.15 -0.07 -0.07 0.37 0.00 0.00 175.52 175.94 1reg h LEU 19 N 0.83 0.00 -1.44 2.58 3.38 -0.93 -1.23 115.31 118.50 1reg h LEU 19 Ca 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1reg h LEU 19 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1reg h LEU 19 CO -0.32 0.07 -0.11 0.71 0.09 0.00 0.00 178.44 178.88 1reg h THR 20 N 0.00 0.30 -0.87 0.22 1.35 -1.24 -3.18 112.91 109.49 1reg h THR 20 Ca -0.00 -0.74 -0.47 0.00 -0.55 0.00 0.00 66.41 64.65 1reg h THR 20 Cb 0.37 1.57 -0.27 0.00 -1.73 0.00 0.00 68.15 68.10 1reg h THR 20 CO 0.01 0.10 0.51 0.54 -0.25 0.00 0.00 175.52 176.43 1reg n ARG 21 N -3.28 2.22 -3.67 4.72 1.74 -0.46 -4.74 116.66 113.18 1reg n ARG 21 Ca -0.00 -3.09 -0.09 0.00 -0.77 0.00 0.00 57.85 53.90 1reg n ARG 21 Cb 0.34 -2.12 -0.09 0.00 -1.02 0.00 0.00 32.46 29.57 1reg n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1reg s MET 22 N -3.34 0.51 0.00 5.56 0.23 -1.20 -1.11 119.30 119.95 1reg s MET 22 Ca 0.55 0.99 0.00 0.00 -1.03 0.00 0.00 55.69 56.20 1reg s MET 22 Cb 0.47 0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.86 1reg s MET 22 CO 0.08 -0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.31 1reg n GLY 23 N 4.39 -0.62 3.64 3.16 0.00 0.32 -4.55 105.19 111.54 1reg n GLY 23 Ca -0.21 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1reg n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1reg s ILE 24 N -4.00 5.13 -0.25 -0.61 1.01 -0.95 0.67 121.20 122.19 1reg s ILE 24 Ca 0.00 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.34 1reg s ILE 24 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1reg s ILE 24 CO 0.00 0.17 0.27 0.00 0.00 0.00 0.00 174.94 175.37 1reg s ALA 25 N 1.81 3.57 -0.41 9.38 0.00 -1.26 -0.59 121.76 134.25 1reg s ALA 25 Ca 0.21 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 1reg s ALA 25 Cb -0.15 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1reg s ALA 25 CO 0.09 -0.44 0.33 1.21 0.00 0.00 0.00 175.76 176.95 1reg s ASN 26 N 1.42 6.13 0.19 0.00 3.84 0.21 -4.94 114.94 121.78 1reg s ASN 26 Ca 0.11 -0.84 0.10 0.00 0.21 0.00 0.00 52.86 52.44 1reg s ASN 26 Cb -0.15 -2.17 -0.08 0.00 -0.55 0.00 0.00 41.25 38.30 1reg s ASN 26 CO 0.08 -0.48 1.36 0.78 -2.79 0.00 0.00 177.10 176.06 1reg h ASN 27 N 8.65 0.00 0.52 -4.21 2.35 -1.96 -1.40 115.58 119.53 1reg h ASN 27 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1reg h ASN 27 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1reg h ASN 27 CO 0.74 0.78 0.00 0.11 -1.65 0.00 0.00 177.43 177.41 1reg h LYS 28 N 0.00 0.00 0.00 0.81 1.57 -1.96 -2.59 116.57 114.39 1reg h LYS 28 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1reg h LYS 28 Cb 1.59 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.78 1reg h LYS 28 CO 0.10 0.00 -0.59 -0.40 -0.57 0.00 0.00 179.45 177.99 1reg n ASP 29 N -2.32 1.01 -3.95 0.86 5.68 -1.24 -5.04 116.55 111.55 1reg n ASP 29 Ca 0.01 -2.50 -0.39 0.00 -0.50 0.00 0.00 54.79 51.41 1reg n ASP 29 Cb 0.17 -0.33 0.02 0.00 -1.14 0.00 0.00 41.12 39.84 1reg n ASP 29 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1reg n LYS 30 N -0.27 -0.70 -5.02 0.11 5.02 -0.78 -4.80 118.16 111.73 1reg n LYS 30 Ca 0.08 0.32 -0.32 0.00 -2.02 0.00 0.00 58.31 56.36 1reg n LYS 30 Cb 0.83 -2.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.05 1reg n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1reg s VAL 31 N -3.36 2.58 -0.19 -0.18 0.11 -0.60 -0.51 120.40 118.25 1reg s VAL 31 Ca 0.35 -0.85 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 1reg s VAL 31 Cb -0.18 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1reg s VAL 31 CO 0.94 0.56 -0.06 -0.22 -3.33 0.00 0.00 175.10 172.98 1reg s LEU 32 N 0.03 2.93 -0.34 2.54 2.96 -0.42 -0.62 118.68 125.75 1reg s LEU 32 Ca -0.07 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 1reg s LEU 32 Cb -0.15 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1reg s LEU 32 CO 0.05 0.06 0.34 -0.31 -1.32 0.00 0.00 176.35 175.17 1reg s TYR 33 N 1.00 3.21 0.26 5.38 2.02 0.24 -0.60 117.35 128.86 1reg s TYR 33 Ca -0.00 -0.07 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 1reg s TYR 33 Cb -0.15 -2.63 -0.09 0.00 -0.40 0.00 0.00 41.96 38.69 1reg s TYR 33 CO 0.00 -0.42 0.96 -1.14 -1.57 0.00 0.00 175.55 173.38 1reg s GLN 34 N 1.96 4.79 0.00 -0.62 0.74 -0.88 -2.24 119.66 123.40 1reg s GLN 34 Ca 0.11 1.51 0.00 0.00 0.05 0.00 0.00 55.36 57.02 1reg s GLN 34 Cb -0.17 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1reg s GLN 34 CO 0.11 0.44 0.02 -1.13 -0.55 0.00 0.00 175.29 174.18 1reg n SER 35 N 1.31 0.04 -4.28 6.67 3.41 -1.26 -0.83 113.62 118.68 1reg n SER 35 Ca -0.01 -0.27 -0.29 0.00 -0.26 0.00 0.00 58.87 58.04 1reg n SER 35 Cb 0.47 0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 64.59 1reg n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1reg s HIS 37 N -0.63 1.44 -0.08 0.00 0.09 0.48 -4.88 115.29 111.71 1reg s HIS 37 Ca 0.09 -0.75 -0.05 0.00 -0.00 0.00 0.00 55.06 54.36 1reg s HIS 37 Cb -0.09 -0.74 -0.04 0.00 -0.00 0.00 0.00 32.58 31.70 1reg s HIS 37 CO 0.00 0.12 0.12 -1.50 -0.00 0.00 0.00 174.74 173.48 1reg s ILE 38 N -3.26 5.19 -0.03 0.60 2.07 -1.26 -1.11 121.20 123.41 1reg s ILE 38 Ca 0.21 -0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.51 1reg s ILE 38 Cb 0.03 -3.29 -0.02 0.00 0.13 0.00 0.00 42.46 39.31 1reg s ILE 38 CO 0.04 0.54 -0.24 -0.22 -1.91 0.00 0.00 174.94 173.15 1reg s LEU 39 N -1.23 2.04 -0.07 8.50 2.96 0.58 -4.95 118.68 126.51 1reg s LEU 39 Ca 0.18 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1reg s LEU 39 Cb -0.12 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1reg s LEU 39 CO 0.07 0.28 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.73 1reg s GLN 40 N -0.46 2.76 -0.26 1.98 -0.44 -1.26 -1.51 119.66 120.48 1reg s GLN 40 Ca 0.06 -0.55 -0.05 0.00 -2.50 0.00 0.00 55.36 52.32 1reg s GLN 40 Cb -0.10 -2.59 0.13 0.00 -1.64 0.00 0.00 33.01 28.81 1reg s GLN 40 CO 0.00 0.65 0.50 0.21 0.50 0.00 0.00 175.29 177.16 1reg s LYS 41 N -0.77 0.44 -1.48 1.67 2.20 -0.34 -4.93 119.74 116.53 1reg s LYS 41 Ca 0.12 1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 56.62 1reg s LYS 41 Cb -0.11 0.31 0.07 0.00 -1.51 0.00 0.00 37.83 36.58 1reg s LYS 41 CO 0.01 -0.43 0.92 1.63 -0.36 0.00 0.00 175.35 177.12 1reg n LYS 42 N 5.41 -5.37 -0.99 4.03 5.02 -1.26 -1.09 118.16 123.90 1reg n LYS 42 Ca -0.06 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1reg n LYS 42 Cb 0.50 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 1reg n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1reg n GLY 43 N -1.68 0.53 3.60 0.72 0.00 -1.26 -5.05 105.19 102.06 1reg n GLY 43 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1reg n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1reg s LEU 44 N 0.00 3.06 0.11 0.99 1.43 -0.25 -5.15 118.68 118.87 1reg s LEU 44 Ca 0.00 -0.70 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 1reg s LEU 44 Cb 0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1reg s LEU 44 CO 0.00 0.02 -0.25 -0.31 0.23 0.00 0.00 176.35 176.05 1reg s TYR 45 N -2.28 2.37 0.00 0.29 2.02 -1.26 -1.19 117.35 117.31 1reg s TYR 45 Ca 0.30 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1reg s TYR 45 Cb -0.06 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1reg s TYR 45 CO 0.18 0.31 -0.01 0.71 -1.57 0.00 0.00 175.55 175.17 1reg s TYR 46 N -1.03 0.13 -0.26 2.71 1.51 -0.57 -0.82 117.35 119.02 1reg s TYR 46 Ca 0.15 -0.13 -0.16 0.00 -1.01 0.00 0.00 57.07 55.91 1reg s TYR 46 Cb -0.10 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1reg s TYR 46 CO 0.06 -0.04 0.44 0.42 -1.11 0.00 0.00 175.55 175.32 1reg s ILE 47 N -0.35 5.13 -0.00 2.71 -1.09 0.14 -0.31 121.20 127.43 1reg s ILE 47 Ca -0.03 0.72 0.05 0.00 -2.23 0.00 0.00 60.65 59.17 1reg s ILE 47 Cb -0.03 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1reg s ILE 47 CO -0.00 0.14 -0.17 0.54 -1.23 0.00 0.00 174.94 174.21 1reg s VAL 48 N 2.09 1.37 0.26 2.92 0.11 -0.26 -0.33 120.40 126.56 1reg s VAL 48 Ca 0.18 -0.81 -0.26 0.00 -2.93 0.00 0.00 61.98 58.17 1reg s VAL 48 Cb -0.16 -1.15 -0.09 0.00 -1.53 0.00 0.00 36.38 33.45 1reg s VAL 48 CO 0.09 0.33 0.87 -2.28 -3.33 0.00 0.00 175.10 170.79 1reg s HIS 49 N -0.48 3.79 0.64 1.54 2.46 -1.26 -0.39 115.29 121.59 1reg s HIS 49 Ca 0.06 1.71 0.31 0.00 0.47 0.00 0.00 55.06 57.62 1reg s HIS 49 Cb -0.07 -2.85 1.70 0.00 -0.13 0.00 0.00 32.58 31.23 1reg s HIS 49 CO -0.00 0.35 2.01 0.27 -2.47 0.00 0.00 174.74 174.89 1reg h PHE 50 N 3.64 0.00 0.00 3.88 -0.00 -0.93 0.40 116.94 123.94 1reg h PHE 50 Ca -0.47 0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 57.31 1reg h PHE 50 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.12 1reg h PHE 50 CO 0.62 0.00 -0.93 0.87 -0.00 0.00 0.00 178.31 178.88 1reg h LYS 51 N 0.00 0.01 -0.11 6.09 1.57 -1.92 0.76 116.57 122.97 1reg h LYS 51 Ca 0.06 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1reg h LYS 51 Cb 0.65 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1reg h LYS 51 CO -0.00 0.93 -0.39 0.93 -0.57 0.00 0.00 179.45 180.35 1reg h GLU 52 N 0.01 0.24 -0.00 3.15 5.08 -0.59 -0.29 114.58 122.18 1reg h GLU 52 Ca -0.01 -0.11 -0.26 0.00 -1.00 0.00 0.00 59.36 57.98 1reg h GLU 52 Cb 1.63 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.89 1reg h GLU 52 CO 0.12 0.60 -1.01 0.52 -1.00 0.00 0.00 179.01 178.24 1reg h MET 53 N 0.20 0.62 -0.88 2.33 2.86 -1.23 0.80 114.93 119.63 1reg h MET 53 Ca 0.02 -0.67 -0.02 0.00 -2.06 0.00 0.00 59.70 56.97 1reg h MET 53 Cb 0.79 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 1reg h MET 53 CO 0.06 1.27 0.48 -0.07 1.06 0.00 0.00 176.91 179.70 1reg h LEU 54 N 0.35 1.11 0.48 1.22 3.38 -0.60 -2.03 115.31 119.22 1reg h LEU 54 Ca -0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1reg h LEU 54 Cb 1.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1reg h LEU 54 CO 0.19 0.90 -0.40 -0.09 0.09 0.00 0.00 178.44 179.13 1reg h ARG 55 N 1.24 -0.84 0.00 1.13 2.43 -1.04 -0.75 114.38 116.54 1reg h ARG 55 Ca 0.31 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1reg h ARG 55 Cb 0.04 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1reg h ARG 55 CO -0.05 -0.56 0.04 -1.33 -1.51 0.00 0.00 179.97 176.56 1reg n MET 56 N -5.51 0.00 -0.05 0.20 2.81 0.27 -0.60 117.12 114.24 1reg n MET 56 Ca -0.11 0.30 0.05 0.00 -1.81 0.00 0.00 57.70 56.13 1reg n MET 56 Cb 0.40 -1.54 0.07 0.00 -0.71 0.00 0.00 33.22 31.44 1reg n MET 56 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1reg n ASP 57 N -1.28 2.17 0.00 7.83 8.00 -0.81 -4.96 116.55 127.50 1reg n ASP 57 Ca 0.00 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.90 1reg n ASP 57 Cb 0.04 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1reg n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1reg n GLY 58 N 0.57 0.65 3.83 0.44 0.00 0.23 -5.07 105.19 105.83 1reg n GLY 58 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1reg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1reg s ARG 59 N -0.60 4.14 -0.80 1.61 1.81 -0.35 -4.95 118.95 119.81 1reg s ARG 59 Ca 0.00 0.99 -0.07 0.00 -1.72 0.00 0.00 55.73 54.93 1reg s ARG 59 Cb 0.00 -2.23 -0.10 0.00 -0.45 0.00 0.00 34.95 32.17 1reg s ARG 59 CO 0.00 -0.02 3.09 1.04 -0.68 0.00 0.00 175.30 178.73 1reg n GLN 60 N -0.71 3.01 -4.27 3.54 1.13 -1.26 -4.00 117.38 114.82 1reg n GLN 60 Ca 0.06 -1.98 -0.33 0.00 -1.94 0.00 0.00 57.00 52.82 1reg n GLN 60 Cb 0.54 -2.38 -0.09 0.00 0.11 0.00 0.00 30.24 28.42 1reg n GLN 60 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1reg s VAL 61 N 0.52 4.18 -0.23 5.09 0.11 -1.26 -5.09 120.40 123.72 1reg s VAL 61 Ca 0.65 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1reg s VAL 61 Cb 0.26 -2.87 -0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1reg s VAL 61 CO -0.07 0.37 0.02 -0.70 -3.33 0.00 0.00 175.10 171.39 1reg s GLU 62 N -1.58 3.55 -0.00 1.54 2.12 -1.26 -4.86 118.70 118.21 1reg s GLU 62 Ca 0.20 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 1reg s GLU 62 Cb -0.12 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1reg s GLU 62 CO 0.10 -0.17 0.93 -1.64 -0.54 0.00 0.00 175.26 173.94 1reg s MET 63 N 1.51 4.55 0.68 4.30 -1.94 -1.26 -5.04 119.30 122.09 1reg s MET 63 Ca 0.06 1.34 -0.00 0.00 -1.71 0.00 0.00 55.69 55.37 1reg s MET 63 Cb -0.15 -3.45 0.13 0.00 2.01 0.00 0.00 34.83 33.38 1reg s MET 63 CO 0.01 -0.01 0.93 0.25 -0.01 0.00 0.00 175.02 176.19 1reg n THR 64 N 3.79 0.00 -0.15 2.05 -2.24 -1.26 -4.94 114.28 111.53 1reg n THR 64 Ca 0.05 -1.46 -0.11 0.00 -2.27 0.00 0.00 64.05 60.26 1reg n THR 64 Cb 0.51 -0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1reg n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1reg h GLU 65 N 0.00 0.85 -0.97 -0.78 4.81 -2.00 -2.55 114.58 113.94 1reg h GLU 65 Ca -0.31 -0.31 0.14 0.00 -0.13 0.00 0.00 59.36 58.75 1reg h GLU 65 Cb 1.13 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 1reg h GLU 65 CO 0.33 0.94 0.59 1.49 -0.73 0.00 0.00 179.01 181.63 1reg h GLU 66 N 0.69 0.84 -0.52 1.92 4.81 -1.99 -0.41 114.58 119.92 1reg h GLU 66 Ca 0.12 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1reg h GLU 66 Cb 0.62 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1reg h GLU 66 CO 0.04 0.55 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.35 1reg h ASP 67 N 0.86 0.97 -0.17 1.04 3.32 -1.82 -2.26 116.42 118.36 1reg h ASP 67 Ca 0.51 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1reg h ASP 67 Cb 0.62 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1reg h ASP 67 CO -0.31 1.09 0.03 -0.33 -1.72 0.00 0.00 179.24 177.99 1reg h GLU 68 N 0.84 0.29 -0.61 3.56 5.08 -1.21 -1.00 114.58 121.52 1reg h GLU 68 Ca 0.14 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1reg h GLU 68 Cb 0.64 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1reg h GLU 68 CO 0.04 0.46 0.29 0.28 -1.00 0.00 0.00 179.01 179.08 1reg h VAL 69 N 0.08 0.87 -0.71 3.13 2.07 -0.98 -0.79 116.25 119.91 1reg h VAL 69 Ca 0.05 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1reg h VAL 69 Cb 0.31 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1reg h VAL 69 CO 0.00 0.10 0.42 -0.09 0.02 0.00 0.00 177.57 178.02 1reg h ARG 70 N 0.53 0.98 -0.56 1.57 9.65 -1.32 -0.71 114.38 124.51 1reg h ARG 70 Ca 0.29 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1reg h ARG 70 Cb 0.27 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 1reg h ARG 70 CO -0.23 0.71 0.26 -0.09 2.80 0.00 0.00 179.97 183.41 1reg h ARG 71 N 0.98 0.82 -0.28 0.20 2.43 -0.30 -1.35 114.38 116.88 1reg h ARG 71 Ca 0.25 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 1reg h ARG 71 Cb -0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1reg h ARG 71 CO -0.05 0.68 -0.42 -0.44 -1.51 0.00 0.00 179.97 178.23 1reg h ASP 72 N 0.76 0.73 0.70 -3.80 3.32 -0.89 -1.07 116.42 116.17 1reg h ASP 72 Ca 0.19 -0.34 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 1reg h ASP 72 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1reg h ASP 72 CO -0.02 1.06 -0.66 0.28 -1.72 0.00 0.00 179.24 178.18 1reg h SER 73 N 0.56 0.00 0.24 6.45 0.02 -0.96 0.25 113.55 120.10 1reg h SER 73 Ca 0.04 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1reg h SER 73 Cb 0.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1reg h SER 73 CO 0.09 0.66 -0.51 0.40 -1.14 0.00 0.00 176.83 176.33 1reg h ILE 74 N 0.00 1.34 -0.26 3.27 2.04 -1.06 -0.05 117.51 122.79 1reg h ILE 74 Ca -0.01 -1.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.00 1reg h ILE 74 Cb 1.19 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1reg h ILE 74 CO 0.09 0.53 -0.22 0.00 0.00 0.00 0.00 178.15 178.54 1reg h ALA 75 N 1.22 0.38 -0.37 1.87 0.00 -0.36 -2.57 119.26 119.44 1reg h ALA 75 Ca 0.01 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1reg h ALA 75 Cb 0.98 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1reg h ALA 75 CO 0.08 0.34 0.12 -1.49 0.00 0.00 0.00 179.25 178.31 1reg h TRP 76 N 0.34 0.22 -0.07 0.00 -0.00 -0.40 -1.48 115.95 114.56 1reg h TRP 76 Ca 0.05 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1reg h TRP 76 Cb 0.78 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.16 29.87 1reg h TRP 76 CO 0.07 0.09 -0.08 1.25 -0.00 0.00 0.00 178.44 179.77 1reg h LEU 77 N 0.27 -0.24 -1.17 -4.49 5.85 -1.00 0.14 115.31 114.67 1reg h LEU 77 Ca 0.17 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1reg h LEU 77 Cb 0.15 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1reg h LEU 77 CO -0.18 -0.11 0.57 -0.07 -0.34 0.00 0.00 178.44 178.31 1reg h LEU 78 N -0.10 0.92 -0.11 2.25 3.38 -1.41 -1.47 115.31 118.77 1reg h LEU 78 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1reg h LEU 78 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1reg h LEU 78 CO -0.13 0.63 0.05 -0.08 0.09 0.00 0.00 178.44 179.00 1reg h GLU 79 N 1.07 0.16 -0.86 1.13 4.81 -0.46 -0.70 114.58 119.72 1reg h GLU 79 Ca 0.35 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.66 1reg h GLU 79 Cb 0.05 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1reg h GLU 79 CO -0.11 0.24 0.56 -0.44 -0.73 0.00 0.00 179.01 178.53 1reg h ASP 80 N 0.05 0.73 0.64 1.04 3.32 -0.15 0.42 116.42 122.48 1reg h ASP 80 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1reg h ASP 80 Cb 0.13 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1reg h ASP 80 CO -0.00 0.42 0.00 0.79 -1.72 0.00 0.00 179.24 178.73 1reg n TRP 81 N -4.53 0.00 -1.05 4.55 8.01 -0.61 -4.90 117.44 118.91 1reg n TRP 81 Ca 0.15 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.32 1reg n TRP 81 Cb 0.35 -0.35 -0.01 0.00 -2.01 0.00 0.00 31.31 29.29 1reg n TRP 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1reg n GLY 82 N 1.11 0.52 0.16 6.99 0.00 0.14 -4.93 105.19 109.18 1reg n GLY 82 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.31 1reg n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1reg h LEU 83 N 0.00 0.00 -8.66 0.99 3.38 -1.35 -3.48 115.31 106.19 1reg h LEU 83 Ca -0.04 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 1reg h LEU 83 Cb 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1reg h LEU 83 CO 0.05 0.29 -0.32 0.27 0.09 0.00 0.00 178.44 178.83 1reg s ILE 84 N -3.08 0.00 -0.05 1.22 -4.36 -1.21 -4.62 121.20 109.10 1reg s ILE 84 Ca 0.04 -1.76 -0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1reg s ILE 84 Cb 0.07 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.23 1reg s ILE 84 CO 0.73 0.00 -0.00 -1.61 0.24 0.00 0.00 174.94 174.30 1reg s GLU 85 N -3.27 0.48 0.26 0.37 2.02 -1.13 -4.21 118.70 113.21 1reg s GLU 85 Ca 0.34 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.12 1reg s GLU 85 Cb 0.01 -0.74 -0.09 0.00 0.10 0.00 0.00 34.13 33.41 1reg s GLU 85 CO 0.22 -0.21 1.12 0.42 0.02 0.00 0.00 175.26 176.83 1reg s ILE 86 N 1.49 3.52 0.03 -1.63 1.01 -1.26 -1.72 121.20 122.63 1reg s ILE 86 Ca -0.03 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 1reg s ILE 86 Cb -0.13 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1reg s ILE 86 CO -0.03 0.32 1.24 -0.69 0.00 0.00 0.00 174.94 175.78 1reg s VAL 87 N -0.89 4.01 0.54 2.92 1.01 -0.43 -4.89 120.40 122.67 1reg s VAL 87 Ca 0.46 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.65 1reg s VAL 87 Cb -0.32 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1reg s VAL 87 CO 0.40 0.07 1.18 -0.81 0.00 0.00 0.00 175.10 175.94 1reg n PRO 88 N 4.46 1.39 -0.35 2.72 -0.04 -1.26 -3.81 135.00 138.11 1reg n PRO 88 Ca 0.10 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1reg n PRO 88 Cb 0.46 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1reg n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1reg n GLY 89 N 0.99 0.79 3.24 0.55 0.00 -1.26 -5.09 105.19 104.41 1reg n GLY 89 Ca 0.11 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1reg n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1reg s GLN 90 N -0.70 1.87 -0.23 1.61 -0.21 -1.25 -5.10 119.66 115.65 1reg s GLN 90 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 1reg s GLN 90 Cb 0.00 -1.77 0.00 0.00 1.00 0.00 0.00 33.01 32.24 1reg s GLN 90 CO 0.00 0.46 1.12 1.03 -2.12 0.00 0.00 175.29 175.78 1reg s ARG 91 N -0.46 4.21 0.09 2.91 0.52 -1.26 -5.03 118.95 119.92 1reg s ARG 91 Ca 0.07 1.39 0.04 0.00 -0.52 0.00 0.00 55.73 56.71 1reg s ARG 91 Cb -0.09 -3.70 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 1reg s ARG 91 CO -0.00 -0.72 -0.11 0.95 0.02 0.00 0.00 175.30 175.44 1reg s THR 92 N 3.41 1.00 0.79 0.02 -4.23 -1.26 -5.11 115.64 110.26 1reg s THR 92 Ca 0.48 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.32 1reg s THR 92 Cb -0.16 -1.29 0.07 0.00 1.34 0.00 0.00 72.50 72.46 1reg s THR 92 CO 0.11 -0.47 1.09 -0.36 -0.54 0.00 0.00 174.62 174.44 1reg s PHE 93 N -2.14 2.62 0.72 3.99 0.08 -1.26 -5.05 117.98 116.94 1reg s PHE 93 Ca 0.04 1.42 -0.11 0.00 0.12 0.00 0.00 56.93 58.40 1reg s PHE 93 Cb -0.05 -3.06 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 1reg s PHE 93 CO 0.01 -1.85 1.07 -1.64 -0.10 0.00 0.00 175.22 172.71 1reg s MET 94 N -4.96 2.70 -0.07 0.44 -1.94 -1.26 -4.75 119.30 109.46 1reg s MET 94 Ca 0.61 0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 55.05 1reg s MET 94 Cb -0.17 -1.98 -0.02 0.00 2.01 0.00 0.00 34.83 34.67 1reg s MET 94 CO 0.56 -1.22 1.13 0.21 -0.01 0.00 0.00 175.02 175.69 1reg s LYS 95 N -5.14 4.38 -0.30 2.03 2.20 -1.26 -4.57 119.74 117.09 1reg s LYS 95 Ca 0.59 1.57 0.04 0.00 -0.36 0.00 0.00 55.97 57.81 1reg s LYS 95 Cb -0.13 -3.55 0.18 0.00 -1.51 0.00 0.00 37.83 32.82 1reg s LYS 95 CO 0.54 -0.39 0.51 0.34 -0.36 0.00 0.00 175.35 175.99 1reg s ASP 96 N 1.32 -0.71 -1.14 1.43 2.15 -1.26 -5.03 116.67 113.43 1reg s ASP 96 Ca 0.53 -0.12 -0.05 0.00 0.43 0.00 0.00 52.55 53.34 1reg s ASP 96 Cb -0.22 1.61 0.26 0.00 -0.30 0.00 0.00 42.92 44.26 1reg s ASP 96 CO 0.21 -0.32 1.74 0.18 -0.17 0.00 0.00 175.17 176.80 1reg n LEU 97 N 5.34 6.84 0.00 -1.34 4.77 -1.26 -4.81 117.00 126.54 1reg n LEU 97 Ca 0.03 -5.09 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 1reg n LEU 97 Cb 0.52 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1reg n LEU 97 CO -0.04 1.73 0.00 0.41 -1.33 0.00 0.00 177.39 178.16 1reg n THR 98 N 1.55 0.00 0.00 -5.08 -1.04 -1.26 -4.76 114.28 103.70 1reg n THR 98 Ca 0.37 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1reg n THR 98 Cb 0.32 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1reg n THR 98 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1reg n ASN 99 N 0.00 0.00 -4.33 8.00 3.02 -1.26 -4.32 115.26 116.37 1reg n ASN 99 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1reg n ASN 99 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1reg n ASN 99 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1reg s ASN 100 N -2.96 3.91 -0.13 6.41 2.47 -1.26 -5.08 114.94 118.30 1reg s ASN 100 Ca 0.00 -0.38 -0.11 0.00 0.42 0.00 0.00 52.86 52.80 1reg s ASN 100 Cb 0.00 -1.60 0.04 0.00 -1.45 0.00 0.00 41.25 38.24 1reg s ASN 100 CO 0.00 0.13 0.33 0.12 -3.72 0.00 0.00 177.10 173.97 1reg s PHE 101 N 0.55 -0.39 -0.09 0.43 5.36 -1.26 -4.47 117.98 118.11 1reg s PHE 101 Ca -0.09 0.94 -0.10 0.00 -0.96 0.00 0.00 56.93 56.72 1reg s PHE 101 Cb -0.16 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.68 1reg s PHE 101 CO 0.04 -0.20 0.27 0.50 -1.46 0.00 0.00 175.22 174.36 1reg s ARG 102 N 0.45 0.37 -0.07 10.12 6.06 0.21 -4.93 118.95 131.15 1reg s ARG 102 Ca -0.02 0.26 0.02 0.00 -2.50 0.00 0.00 55.73 53.49 1reg s ARG 102 Cb -0.04 0.17 -0.02 0.00 0.06 0.00 0.00 34.95 35.12 1reg s ARG 102 CO -0.02 -0.06 -0.13 0.08 -2.50 0.00 0.00 175.30 172.67 1reg s VAL 103 N -0.12 3.17 0.06 7.11 1.01 -1.26 -0.52 120.40 129.84 1reg s VAL 103 Ca -0.02 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.38 1reg s VAL 103 Cb -0.03 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1reg s VAL 103 CO 0.01 0.57 -0.26 0.27 0.00 0.00 0.00 175.10 175.70 1reg s ILE 104 N -0.46 2.08 1.03 2.22 -4.36 -0.27 -4.98 121.20 116.47 1reg s ILE 104 Ca 0.06 -1.42 -0.12 0.00 -0.26 0.00 0.00 60.65 58.90 1reg s ILE 104 Cb -0.12 -1.80 0.21 0.00 1.25 0.00 0.00 42.46 42.00 1reg s ILE 104 CO 0.02 0.29 1.08 -0.94 0.24 0.00 0.00 174.94 175.63 1reg s SER 105 N -1.37 2.29 0.22 4.36 1.04 -1.26 -4.86 113.70 114.12 1reg s SER 105 Ca 0.11 1.32 -0.06 0.00 0.48 0.00 0.00 55.95 57.80 1reg s SER 105 Cb -0.10 -2.01 0.20 0.00 0.10 0.00 0.00 66.02 64.21 1reg s SER 105 CO 0.03 -3.35 1.71 0.15 0.98 0.00 0.00 173.24 172.75 1reg h PHE 106 N -2.04 1.03 -0.01 5.02 3.57 -2.00 -2.63 116.94 119.88 1reg h PHE 106 Ca -0.56 -0.15 -0.17 0.00 3.53 0.00 0.00 57.97 60.62 1reg h PHE 106 Cb 1.32 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1reg h PHE 106 CO 0.30 0.91 -0.79 1.57 -2.23 0.00 0.00 178.31 178.07 1reg h LYS 107 N 0.89 0.09 0.00 1.11 2.10 -2.06 -3.10 116.57 115.61 1reg h LYS 107 Ca 0.17 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1reg h LYS 107 Cb 0.48 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1reg h LYS 107 CO 0.02 0.83 -0.15 0.37 -2.00 0.00 0.00 179.45 178.52 1reg h GLN 108 N 0.06 0.00 0.00 0.07 4.15 -1.93 -3.37 115.11 114.09 1reg h GLN 108 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1reg h GLN 108 Cb 1.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.07 1reg h GLN 108 CO 0.11 0.00 -0.07 1.57 -1.93 0.00 0.00 178.83 178.51 1reg h LYS 109 N 0.00 0.00 0.00 1.69 2.10 -1.39 -1.77 116.57 117.20 1reg h LYS 109 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1reg h LYS 109 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1reg h LYS 109 CO 0.00 0.07 0.00 -2.39 -2.00 0.00 0.00 179.45 175.13 1reg n HIS 110 N -4.35 0.00 0.74 0.07 1.44 -1.26 -0.49 115.22 111.37 1reg n HIS 110 Ca -0.03 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.76 1reg n HIS 110 Cb 0.15 -0.11 -0.04 0.00 0.12 0.00 0.00 29.99 30.11 1reg n HIS 110 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1reg n GLU 111 N -1.11 1.73 -4.10 -1.40 1.02 -0.67 -4.99 120.64 111.13 1reg n GLU 111 Ca 0.00 -0.45 -0.34 0.00 -0.02 0.00 0.00 57.16 56.36 1reg n GLU 111 Cb 0.00 -1.27 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 1reg n GLU 111 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1reg s TRP 112 N -2.19 3.35 -0.51 -0.32 0.52 0.36 -4.86 118.94 115.28 1reg s TRP 112 Ca 0.10 0.29 -0.23 0.00 0.02 0.00 0.00 56.10 56.28 1reg s TRP 112 Cb 0.13 -1.80 0.04 0.00 -1.15 0.00 0.00 33.47 30.68 1reg s TRP 112 CO 0.52 0.58 0.84 0.15 0.02 0.00 0.00 176.95 179.06 1reg s LYS 113 N -1.41 3.33 -0.09 4.98 3.01 0.33 -4.95 119.74 124.95 1reg s LYS 113 Ca 0.19 -0.30 -0.26 0.00 -1.01 0.00 0.00 55.97 54.60 1reg s LYS 113 Cb -0.12 -4.02 -0.03 0.00 -1.01 0.00 0.00 37.83 32.66 1reg s LYS 113 CO 0.10 -1.32 0.84 -0.51 0.51 0.00 0.00 175.35 174.97 1reg s LEU 114 N 3.52 4.28 -0.17 3.17 1.43 -1.26 -1.30 118.68 128.35 1reg s LEU 114 Ca 0.28 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1reg s LEU 114 Cb -0.13 -3.30 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1reg s LEU 114 CO 0.19 -0.28 0.06 -0.69 0.23 0.00 0.00 176.35 175.86 1reg s VAL 115 N 1.42 0.20 -0.03 -1.59 1.01 0.23 -4.93 120.40 116.71 1reg s VAL 115 Ca 0.42 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1reg s VAL 115 Cb -0.18 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1reg s VAL 115 CO 0.19 -0.19 1.46 -2.84 0.00 0.00 0.00 175.10 173.72 1reg s PRO 116 N 2.01 4.24 0.58 2.72 0.02 -1.26 -2.08 135.00 141.23 1reg s PRO 116 Ca 0.01 2.00 0.29 0.00 0.02 0.00 0.00 61.00 63.32 1reg s PRO 116 Cb -0.16 -3.71 1.75 0.00 0.02 0.00 0.00 34.50 32.40 1reg s PRO 116 CO -0.08 -0.67 2.23 0.87 -0.33 0.00 0.00 177.00 179.01 1reg h LYS 117 N 8.35 0.00 -0.56 5.54 1.79 -1.34 -2.60 116.57 127.76 1reg h LYS 117 Ca -0.37 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.19 1reg h LYS 117 Cb 1.17 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.75 1reg h LYS 117 CO 0.93 0.02 0.17 -0.92 -1.08 0.00 0.00 179.45 178.56 1reg h TYR 118 N 0.00 0.28 0.00 -1.35 3.20 -1.88 -3.23 116.97 113.99 1reg h TYR 118 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1reg h TYR 118 Cb 0.05 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1reg h TYR 118 CO 0.00 0.05 -0.69 1.79 -1.64 0.00 0.00 178.16 177.66 1reg h THR 119 N 0.33 0.00 -0.84 1.81 1.35 -1.87 -3.47 112.91 110.22 1reg h THR 119 Ca 0.28 -0.74 -0.80 0.00 -0.55 0.00 0.00 66.41 64.60 1reg h THR 119 Cb 0.36 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1reg h THR 119 CO -0.32 0.00 0.98 -0.38 -0.25 0.00 0.00 175.52 175.56 1reg n ILE 120 N -2.44 0.08 -2.99 6.82 5.41 -1.19 -4.90 119.36 120.15 1reg n ILE 120 Ca 0.02 -0.04 -0.41 0.00 1.00 0.00 0.00 62.75 63.32 1reg n ILE 120 Cb 0.49 -0.76 -0.05 0.00 -0.71 0.00 0.00 39.64 38.61 1reg n ILE 120 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1reg s GLY 121 N 4.38 1.75 0.00 7.39 0.00 -1.26 -5.08 107.32 114.49 1reg s GLY 121 Ca 1.08 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.40 1reg s GLY 121 CO 0.71 1.66 0.00 0.70 0.00 0.00 0.00 173.10 176.17